A0A077Z8B4_TRITR Loading...

acetylcholinesterase

AlphaFold DB , UniProt , Accession A0A077Z8B4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,456 aa.

						>A0A077Z8B4_TRITR|A0A077Z8B4
MAVFTAGGATGDKITKSNGEPPLLFQMDAEDPRMVEIFWNQRHRLKKIKEISTREIYYHNTSDPAAPLVEEYGRWQPLLVDEEDTKKVSRFVLLRHELCREKEFKVLWYGPLDTLHEAELVRLGPSPQVWQHKFSISVKDLNFDADSGMVTGKLAYSPPVETDMETVSVFPTIQSSSCEVVFHEWILEPQVDPKTGEFSFSADYLKHRCTLRVYLNKRVYEHGDSCLQLYRTDIDHSQPLDISCESVKGLSCPMKHSVAGECNMDCLPTVETTTQKGGRENAFKPYVTVSWSFSNNNRQPIKKQTIKTAEVDYAWNNHPVAEFNVTTSTIERTSSSIDLYPFAKIKGSFYEFQVCAMFDDCKEEPDWSRVPKLPIMVTDLLIRDNLLGFDDDEETTQEITTPSSTIRTTTPFVFTTTSYGSTDVTESKTSEAVQAKRTSYPSTTTMRPTSKSSMNNVARKPTVPQGMNDSALTHSVSVVLIGLLEATEEKPLSLCQLWGPLSQEFVKVQSVPIQDIFDSLGITGSPEGGSIVVNTTSGWYKGKIIEMGNQRVYAFLNVTYGQPPIGGNRFRPPQPAPYSNGIIQANRLAQACYQLMDKTYPGFEGTEMWNPEDGMTESCLTLNIWTPANAHNAPVLVWIFGGGFASGSPSLYLYNGSTLAALYGTVVVNINYRLNIFGFFYLNDRDAPPNVGLLDQRMALQWIQENIAGFGGDPSQVTIMGESSGGASVMAHLHAVDSWPLFKYAIVQSGSMNLPWASVKKTDLLKHSVMVAHQLGCDGSESRMLDCLREQPPAKILGETEKTRSSTFLQFYFVPVVDDELFFGKKGYENFLHSLTKNTSVLLGYNEDEGSFWLPTWLTQFFNITAEQTATPLEMTELVNLTFSFLTEEQQSLAINHYKYKTSDVRKMLSSMVGDYYFTCGVLDLADSLADHNILVYLFNFNYRSESNPWPQWMGAMHGYEIEFIFGGPLNGKGESINEDIKMSRTMMEYWNSFIRHGKVYEFLGIPYGSAPVGDKRFLPAEFAPFHGKRFSLTALPKKAKWRKEGKNFVPPFERCTVDFSGTEMWNPKEEMTEDCLTLNIWTPLHARNAPVLVWIFGGGFVSGSPSLNIYRGPFLAASTGQVIVAINYRVGPFGFLSLGNSAPANVGLLDQRLALQWIQSNIKIFGGDPNSVTIMGESAGAASVMAHLYAEDSWPLFHRAIVLSGSMAMPWANVRKHKLEEYSRTLAAALGCTGNNTEMIACMKKQKPEDIVTQSANMMQDYLQFVFVPVIDDNDLFFGPKGVQNYRQGITKVVPILLGYNEDEGSYWLPVYYPEVFNYKNDGMINSDTMTKLTQKSFPFLNDKERSELIAHYRQKDANDRDALSSMVGDYYFTCGVIDLANRLSSKNPDVYVFYFNYRSKWNPWPEWMGAMHGYELEFVFGLPLRKEYKTNSTTIDKRMSYHVIARWNAFVRDR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	39.1	Very low	244 Å²	244	120.7 Å²	120.7	100%	1.202	83%	0.827	S	S	*	*				0	146	0	-69	175.7	173.6	0	0	108.3
2	A	44.9	Very low	39	Very low	97 Å²	97	122.2 Å²	122.2	80%	0.802	82%	0.819	S	S	*	*			trans	51.3	143.6	149.4	0	0	0	0	0	120.5
3	V	41.7	Very low	39.2	Very low	122 Å²	122	126.2 Å²	126.2	74%	0.739	82%	0.815	S	S	*	*			cis	-159.1	132.3	-6.5	118.9	0	0	0	0	106
4	F	32.1	Very low	38.6	Very low	182 Å²	182	129.7 Å²	129.7	80%	0.798	82%	0.821	S	S	*	*				39.9	143.6	106.2	-74.8	-73.5	0	0	0	116.5
5	T	39.8	Very low	38.5	Very low	125 Å²	125	129.2 Å²	129.2	77%	0.767	82%	0.816	S	S	*	*			cis	-155.8	162.1	14	-8.5	0	0	0	0	107
6	A	38	Very low	38.3	Very low	88 Å²	88	133.3 Å²	133.3	73%	0.727	82%	0.818	S	S	*	*			cis	-155.5	176.2	-0.1	0	0	0	0	0	107.9
7	G	37.8	Very low	38	Very low	77 Å²	77	131.5 Å²	131.5	79%	0.794	81%	0.812	S	S	*	*			cis	102.8	109.1	-0.4	0	0	0	0	0	113.8
8	G	38.3	Very low	37.7	Very low	80 Å²	80	133.6 Å²	133.6	83%	0.825	82%	0.817	S	S	*	*			cis	-119.8	-119.3	-11.4	0	0	0	0	0	110.2
9	A	47.9	Very low	37.2	Very low	96 Å²	96	130.5 Å²	130.5	79%	0.793	82%	0.815	S	S	*	*			cis	-168	176.8	-7.2	0	0	0	0	0	107.4
10	T	34	Very low	36.8	Very low	142 Å²	142	134 Å²	134	87%	0.871	82%	0.821	S	S	*	*			cis	-144.6	151.2	9.8	48.4	0	0	0	0	110.8
11	G	39.2	Very low	36.5	Very low	75 Å²	75	131.4 Å²	131.4	77%	0.773	81%	0.807	S	S	*	*			trans	157	141.9	170.9	0	0	0	0	0	111.4
12	D	37.7	Very low	36	Very low	138 Å²	138	122.3 Å²	122.3	74%	0.738	77%	0.766	S	S	*	*			trans	-91.5	131.9	-157.8	-87.2	-61	0	0	0	118.6
13	K	41.3	Very low	35.2	Very low	175 Å²	175	122.4 Å²	122.4	76%	0.761	75%	0.752	S	S	*	*			trans	47.8	125.5	135.7	-55	-179.6	-173	85.3	0	123.3
14	I	30.9	Very low	34.6	Very low	175 Å²	175	123.7 Å²	123.7	90%	0.897	75%	0.754	S	S	*	*			trans	-168.9	176.7	136.8	-102.1	158	0	0	0	110.5
15	T	36.7	Very low	34.5	Very low	122 Å²	122	120.1 Å²	120.1	75%	0.748	74%	0.739	S	S	*	*			trans	-140.5	140.3	-155.2	56.7	0	0	0	0	120.6
16	K	35.4	Very low	34.4	Very low	195 Å²	195	121.5 Å²	121.5	85%	0.848	74%	0.736	S	S	*	*			trans	82.9	122	143.9	-78.2	-178.5	175.8	-177.4	0	124.3
17	S	34.4	Very low	34.1	Very low	102 Å²	102	119.3 Å²	119.3	71%	0.713	71%	0.711	S	S	*	*			trans	62.5	140.5	140.8	54.5	0	0	0	0	122.7
18	N	32.3	Very low	34.3	Very low	169 Å²	169	119 Å²	119	90%	0.904	69%	0.691	S	S	*	*			cis	-172.8	132.5	-20.1	-116.4	16.3	0	0	0	110.7
19	G	28.3	Very low	34.1	Very low	76 Å²	76	119.5 Å²	119.5	78%	0.784	69%	0.688	S	S	*	*			trans	134.5	91.1	154.5	0	0	0	0	0	120.5
20	E	28.3	Very low	33.8	Very low	200 Å²	200	122.8 Å²	122.8	94%	0.935	69%	0.687	S	S	*	*			trans	57.6	154.9	152.4	-71.6	-156.7	158.3	0	0	121.9
21	P	31.8	Very low	34.1	Very low	80 Å²	80	118.4 Å²	118.4	52%	0.519	66%	0.658	S	S	.	*			trans	-132.1	-177.8	-133.1	45.5	-32.8	0	0	0	116.6	Q41	P21-Q41 PolarHBondContact O-NE2 3.1Å
22	P	25.6	Very low	33.6	Very low	53 Å²	53	114.9 Å²	114.9	34%	0.344	62%	0.622	S	S	.	*	S	Bend	cis	-133.1	-174.4	-34.9	33.4	-12.9	0	0	0	111.9	W39 N40	P22-W39 WeakPolarHBondContact CD-O 3.43Å; P22-W39 CarbonylContact O-C 3.53Å; P22-N40 PolarHBondContact O-N 3.45Å
23	L	28.4	Very low	33.4	Very low	98 Å²	98	108.7 Å²	108.7	51%	0.513	59%	0.588	S	S	.	*			cis	-112.2	168.2	-8.7	-87.3	85.8	0	0	0	110.2	F38	L23-F38 HydrophobicContact CB-CB 3.79Å; L23-F38 HydrophobicContact CD1-CB 3.57Å; L23-F38 HydrophobicContact CD2-CB 3.97Å; L23-F38 HydrophobicContact CD2-CD2 4.37Å; L23-F38 HydrophobicContact CG-CB 3.93Å; L23-F38 PolarHBondContact N-O 3.04Å
24	L	29	Very low	32.7	Very low	149 Å²	149	102.2 Å²	102.2	78%	0.78	56%	0.561	S	S	*	*			trans	-67.9	158.7	174.1	-100.6	73.8	0	0	0	113.1	E36	L24-E36 VanDerWaalsContact O-O 3.11Å
25	F	30.5	Very low	32.8	Very low	108 Å²	108	94 Å²	94	47%	0.474	52%	0.519	S	S	.	.			trans	-90.5	116.5	161.9	-64.5	-54.3	0	0	0	109.7	V35 E36 I37 H183	F25-V35 HydrophobicContact CB-CG1 4.13Å; F25-E36 VanDerWaalsContact CA-O 3.31Å; F25-E36 WeakPolarHBondContact CA-O 3.31Å; F25-I37 HydrophobicContact CD1-CB 4.39Å; F25-I37 HydrophobicContact CD1-CG1 3.83Å; F25-I37 HydrophobicContact CD1-CG2 4.39Å; F25-I37 HydrophobicContact CE1-CB 4.33Å; F25-I37 HydrophobicContact CE1-CD1 3.8Å; F25-I37 HydrophobicContact CE1-CG1 3.61Å; F25-I37 HydrophobicContact CE1-CG2 4.09Å; F25-H183 HydrophobicContact CB-CB 3.65Å; F25-H183 HydrophobicContact CD1-CB 3.92Å; F25-H183 AromaticContact CD1-CD2 2.96Å; F25-H183 WeakPolarHBondContact CD1-CD2 3.16Å; F25-H183 AromaticContact CD1-CG 3.52Å; F25-H183 AromaticContact CD1-NE2 3.55Å; F25-H183 HydrophobicContact CD2-CB 4Å; F25-H183 HydrophobicContact CE1-CB 4.34Å; F25-H183 AromaticContact CE1-CD2 3.52Å; F25-H183 AromaticContact CE1-CG 3.81Å; F25-H183 AromaticContact CE1-NE2 3.74Å; F25-H183 HydrophobicContact CE2-CB 4.48Å; F25-H183 HydrophobicContact CG-CB 3.66Å; F25-H183 AromaticContact CG-CD2 3.53Å; F25-H183 AromaticContact CG-CG 3.82Å
26	Q	35.9	Very low	32.4	Very low	153 Å²	153	93.4 Å²	93.4	72%	0.715	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	126.4	-179.8	-178.4	176	-8.8	0	0	113.4	V35 E36	Q26-V35 WeakPolarHBondContact O-CA 3.44Å; Q26-V35 WeakPolarHBondContact O-CG1 3.5Å; Q26-E36 PolarHBondContact O-N 2.69Å
27	M	32.3	Very low	32	Very low	42 Å²	42	88.9 Å²	88.9	21%	0.207	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	138.2	-178.4	-85.4	170.6	80.6	0	0	111.9	A29 P32 M34 V35 F182 E184	M27-A29 PolarHBondContact O-N 3.23Å; M27-P32 HydrophobicContact CE-CB 3.72Å; M27-P32 WeakPolarHBondContact CE-O 3.46Å; M27-M34 CarbonylContact C-O 3.57Å; M27-M34 WeakPolarHBondContact CA-O 3.38Å; M27-V35 HydrophobicContact CB-CG2 4.27Å; M27-V35 HydrophobicContact CG-CB 4.47Å; M27-V35 HydrophobicContact CG-CG1 4.23Å; M27-V35 HydrophobicContact CG-CG2 3.41Å; M27-V35 VanDerWaalsContact CG-CG2 3.41Å; M27-F182 HydrophobicContact CE-CD1 4.37Å; M27-F182 HydrophobicContact CE-CE1 4.36Å; M27-E184 HydrophobicContact SD-CB 3.8Å; M27-E184 HydrophobicContact SD-CG 4.25Å
28	D	41.3	Very low	31.7	Very low	70 Å²	70	89 Å²	89	37%	0.374	48%	0.48	S	S	.	.			trans	-70.6	127.9	171.8	-174.4	-54.8	0	0	0	110.1	E30 D31 M34 K206	D28-E30 PolarHBondContact O-N 2.67Å; D28-E30 WeakPolarHBondContact OD1-CA 3.34Å; D28-E30 PolarHBondContact OD1-N 3.04Å; D28-D31 HydrophobicContact CB-CB 3.92Å; D28-D31 WeakPolarHBondContact CB-O 3.43Å; D28-D31 CarbonylContact O-C 3.46Å; D28-D31 VanDerWaalsContact O-C 3.25Å; D28-D31 PolarHBondContact O-N 2.65Å; D28-D31 VanDerWaalsContact O-N 3.13Å; D28-D31 PolarHBondContact OD1-N 3.28Å; D28-M34 HydrophobicContact CB-CB 3.89Å; D28-M34 PolarHBondContact N-O 2.92Å; D28-K206 PolarHBondContact O-NZ 3.02Å
29	A	36	Very low	31.9	Very low	92 Å²	92	90.3 Å²	90.3	76%	0.76	47%	0.472	S	S	*	.	S	Bend	trans	-72.7	-15.2	-174.2	0	0	0	0	0	113.4	M27 K206	M27-A29 PolarHBondContact O-N 3.23Å; A29-K206 WeakPolarHBondContact O-CE 3.19Å; A29-K206 PolarHBondContact O-NZ 3.48Å
30	E	39.7	Very low	31.9	Very low	165 Å²	165	93 Å²	93	77%	0.771	47%	0.468	S	S	*	.	S	Bend	trans	-102.4	-20	167.1	-55.1	-154.7	150.4	0	0	111.9	D28 K206	D28-E30 PolarHBondContact O-N 2.67Å; D28-E30 WeakPolarHBondContact OD1-CA 3.34Å; D28-E30 PolarHBondContact OD1-N 3.04Å; E30-K206 VanDerWaalsContact C-CE 3.47Å; E30-K206 WeakPolarHBondContact O-CE 3.34Å; E30-K206 WeakPolarHBondContact O-CG 3.15Å
31	D	40.8	Very low	31.7	Very low	50 Å²	50	90.9 Å²	90.9	27%	0.267	46%	0.458	S	S	.	.			trans	-135.9	87.9	-170.7	-119.4	6.4	0	0	0	112.4	D28 R33 M34 K206 H207	D28-D31 HydrophobicContact CB-CB 3.92Å; D28-D31 WeakPolarHBondContact CB-O 3.43Å; D28-D31 CarbonylContact O-C 3.46Å; D28-D31 VanDerWaalsContact O-C 3.25Å; D28-D31 PolarHBondContact O-N 2.65Å; D28-D31 VanDerWaalsContact O-N 3.13Å; D28-D31 PolarHBondContact OD1-N 3.28Å; D31-R33 PolarHBondContact O-N 3.46Å; D31-M34 HydrophobicContact CB-CB 4.23Å; D31-M34 PolarHBondContact O-N 3.34Å; D31-K206 VanDerWaalsContact N-NZ 3.16Å; D31-H207 VanDerWaalsContact CA-CD2 3.4Å; D31-H207 WeakPolarHBondContact CA-CD2 3.46Å; D31-H207 VanDerWaalsContact CB-CD2 3.41Å; D31-H207 WeakPolarHBondContact CB-CD2 3.04Å; D31-H207 VanDerWaalsContact CB-NE2 3.33Å; D31-H207 WeakPolarHBondContact CB-NE2 3.41Å; D31-H207 VanDerWaalsContact CG-CG 3.41Å; D31-H207 VanDerWaalsContact CG-ND1 3.31Å; D31-H207 PolarHBondContact O-CD2 2.68Å; D31-H207 PolarHBondContact O-NE2 3.05Å; D31-H207 WeakPolarHBondContact OD1-CA 3.46Å; D31-H207 WeakPolarHBondContact OD1-CB 3.31Å; D31-H207 IonicContact OD1-CD2 2.88Å; D31-H207 PolarHBondContact OD1-CD2 2.94Å; D31-H207 IonicContact OD1-CE1 2.65Å; D31-H207 PolarHBondContact OD1-CE1 2.72Å; D31-H207 IonicContact OD1-CG 3.83Å; D31-H207 IonicContact OD1-ND1 2.79Å; D31-H207 PolarHBondContact OD1-ND1 3.46Å; D31-H207 IonicContact OD1-NE2 2.91Å; D31-H207 PolarHBondContact OD1-NE2 2.85Å; D31-H207 IonicContact OD2-CD2 3.59Å; D31-H207 IonicContact OD2-CE1 3.57Å; D31-H207 PolarHBondContact OD2-CE1 2.84Å; D31-H207 IonicContact OD2-CG 2.71Å; D31-H207 IonicContact OD2-ND1 2.62Å; D31-H207 PolarHBondContact OD2-ND1 2.99Å; D31-H207 IonicContact OD2-NE2 2.95Å; D31-H207 PolarHBondContact OD2-NE2 2.7Å
32	P	29.4	Very low	31.4	Very low	0 Å²	0	97.7 Å²	97.7	0%	0	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-39.2	-176	30.5	-43.5	0	0	0	118	M27 M34 F182 D203 K206 H207	M27-P32 HydrophobicContact CE-CB 3.72Å; M27-P32 WeakPolarHBondContact CE-O 3.46Å; P32-M34 PolarHBondContact O-N 2.89Å; P32-F182 HydrophobicContact CB-CE1 3.96Å; P32-F182 WeakPolarHBondContact O-CD1 3.45Å; P32-F182 VanDerWaalsContact O-CE1 3.3Å; P32-F182 WeakPolarHBondContact O-CE1 3.5Å; P32-D203 HydrophobicContact CB-CB 3.53Å; P32-D203 VanDerWaalsContact CB-O 3.31Å; P32-D203 WeakPolarHBondContact CB-O 3.36Å; P32-D203 WeakPolarHBondContact CB-OD1 3.34Å; P32-D203 HydrophobicContact CG-CB 4.12Å; P32-D203 WeakPolarHBondContact CG-O 3.35Å; P32-K206 VanDerWaalsContact CD-CG 3.43Å; P32-K206 VanDerWaalsContact CD-NZ 3.26Å; P32-K206 HydrophobicContact CG-CB 3.96Å; P32-K206 HydrophobicContact CG-CD 4.37Å; P32-K206 HydrophobicContact CG-CG 4.21Å; P32-H207 HydrophobicContact CG-CB 3.84Å
33	R	33	Very low	31.6	Very low	9 Å²	9	103.5 Å²	103.5	3%	0.034	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.9	171.6	-37.9	177.3	-56.5	172.1	-21	111.9	D31 C178 E179 V180 V181 F182 H207 R208 C209	D31-R33 PolarHBondContact O-N 3.46Å; R33-C178 HydrophobicContact CB-CB 3.88Å; R33-C178 HydrophobicContact CG-CB 3.76Å; R33-C178 VanDerWaalsContact NH1-CA 3.28Å; R33-E179 IonicContact CZ-OE2 2.79Å; R33-E179 VanDerWaalsContact NE-N 3.12Å; R33-E179 IonicContact NH2-OE1 3.52Å; R33-E179 IonicContact NH2-OE2 3.03Å; R33-E179 PolarHBondContact NH2-OE2 2.85Å; R33-V180 CarbonylContact O-C 3.57Å; R33-V180 VanDerWaalsContact O-O 3.08Å; R33-V181 CarbonylContact O-C 3.57Å; R33-V181 WeakPolarHBondContact O-CA 2.95Å; R33-V181 PolarHBondContact O-N 3.11Å; R33-F182 HydrophobicContact CB-CD2 4.39Å; R33-F182 HydrophobicContact CB-CE2 4.06Å; R33-F182 HydrophobicContact CB-CZ 4.23Å; R33-F182 HydrophobicContact CG-CE2 3.84Å; R33-F182 HydrophobicContact CG-CZ 3.83Å; R33-F182 PolarHBondContact O-N 3.04Å; R33-H207 VanDerWaalsContact CA-CD2 3.42Å; R33-H207 WeakPolarHBondContact CA-CD2 3.37Å; R33-H207 HydrophobicContact CB-CB 4.29Å; R33-H207 WeakPolarHBondContact CB-CD2 3.46Å; R33-H207 VanDerWaalsContact CB-NE2 3.32Å; R33-H207 WeakPolarHBondContact CB-NE2 3.42Å; R33-H207 VanDerWaalsContact CD-CB 3.45Å; R33-H207 HydrophobicContact CG-CB 3.43Å; R33-H207 VanDerWaalsContact CG-CB 3.43Å; R33-H207 WeakPolarHBondContact CG-CD2 3.39Å; R33-H207 PolarHBondContact N-CD2 3.2Å; R33-H207 PolarHBondContact NE-ND1 3.34Å; R33-H207 PolarHBondContact NE-O 3.06Å; R33-H207 PolarHBondContact NH2-O 2.81Å; R33-R208 VanDerWaalsContact CZ-O 3.25Å; R33-R208 PolarHBondContact NH1-O 3.1Å; R33-R208 PolarHBondContact NH2-O 2.82Å; R33-C209 WeakPolarHBondContact CD-SG 3.49Å; R33-C209 VanDerWaalsContact CG-SG 3.5Å
34	M	27.5	Very low	31.4	Very low	39 Å²	39	110 Å²	110	19%	0.192	51%	0.514	C	S	.	.			trans	-89.3	117	-179.8	-159.6	-57.6	110.6	0	0	109.8	M27 D28 D31 P32 E36 V180 H207	M27-M34 CarbonylContact C-O 3.57Å; M27-M34 WeakPolarHBondContact CA-O 3.38Å; D28-M34 HydrophobicContact CB-CB 3.89Å; D28-M34 PolarHBondContact N-O 2.92Å; D31-M34 HydrophobicContact CB-CB 4.23Å; D31-M34 PolarHBondContact O-N 3.34Å; P32-M34 PolarHBondContact O-N 2.89Å; M34-E36 HydrophobicContact CE-CB 4.33Å; M34-E36 HydrophobicContact CE-CG 3.54Å; M34-E36 HydrophobicContact SD-CG 3.48Å; M34-E36 WeakPolarHBondContact SD-CG 3.25Å; M34-V180 HydrophobicContact CB-CG1 3.55Å; M34-V180 HydrophobicContact CE-CG2 3.39Å; M34-V180 HydrophobicContact CG-CB 4.45Å; M34-V180 HydrophobicContact CG-CG1 3.56Å; M34-V180 HydrophobicContact CG-CG2 4.07Å; M34-H207 PolarHBondContact N-NE2 2.97Å
35	V	31.3	Very low	31.3	Very low	3 Å²	3	110.4 Å²	110.4	2%	0.018	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	124.3	174.1	-160	0	0	0	0	107.6	F25 Q26 M27 V181 H183	F25-V35 HydrophobicContact CB-CG1 4.13Å; Q26-V35 WeakPolarHBondContact O-CA 3.44Å; Q26-V35 WeakPolarHBondContact O-CG1 3.5Å; M27-V35 HydrophobicContact CB-CG2 4.27Å; M27-V35 HydrophobicContact CG-CB 4.47Å; M27-V35 HydrophobicContact CG-CG1 4.23Å; M27-V35 HydrophobicContact CG-CG2 3.41Å; M27-V35 VanDerWaalsContact CG-CG2 3.41Å; V35-V181 WeakPolarHBondContact CB-O 3.38Å; V35-V181 VanDerWaalsContact CG2-O 3.3Å; V35-V181 WeakPolarHBondContact CG2-O 3.33Å; V35-V181 PolarHBondContact N-O 2.88Å; V35-H183 HydrophobicContact CB-CB 4.15Å; V35-H183 WeakPolarHBondContact CB-CD2 3.17Å; V35-H183 HydrophobicContact CG1-CB 3.7Å; V35-H183 WeakPolarHBondContact CG1-CD2 3.24Å; V35-H183 PolarHBondContact O-NE2 2.96Å
36	E	28.4	Very low	31	Very low	109 Å²	109	113.5 Å²	113.5	51%	0.509	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	145.6	-173.3	-71.3	-159	122.6	0	0	113.4	L24 F25 Q26 M34 F38	L24-E36 VanDerWaalsContact O-O 3.11Å; F25-E36 VanDerWaalsContact CA-O 3.31Å; F25-E36 WeakPolarHBondContact CA-O 3.31Å; Q26-E36 PolarHBondContact O-N 2.69Å; M34-E36 HydrophobicContact CE-CB 4.33Å; M34-E36 HydrophobicContact CE-CG 3.54Å; M34-E36 HydrophobicContact SD-CG 3.48Å; M34-E36 WeakPolarHBondContact SD-CG 3.25Å; E36-F38 HydrophobicContact CB-CE2 4.14Å
37	I	28.2	Very low	30.5	Very low	100 Å²	100	110.9 Å²	110.9	51%	0.513	52%	0.515	S	S	.	.			trans	-114	135.4	171.9	-41	-178.1	0	0	0	109.7	F25 H183	F25-I37 HydrophobicContact CD1-CB 4.39Å; F25-I37 HydrophobicContact CD1-CG1 3.83Å; F25-I37 HydrophobicContact CD1-CG2 4.39Å; F25-I37 HydrophobicContact CE1-CB 4.33Å; F25-I37 HydrophobicContact CE1-CD1 3.8Å; F25-I37 HydrophobicContact CE1-CG1 3.61Å; F25-I37 HydrophobicContact CE1-CG2 4.09Å; I37-H183 VanDerWaalsContact CG1-NE2 3.29Å; I37-H183 WeakPolarHBondContact CG1-NE2 3.2Å
38	F	28.2	Very low	30.5	Very low	105 Å²	105	111.9 Å²	111.9	46%	0.461	52%	0.521	S	S	.	.			trans	-139.2	-166.6	154.1	-59.4	-86.7	0	0	0	111.4	L23 E36	L23-F38 HydrophobicContact CB-CB 3.79Å; L23-F38 HydrophobicContact CD1-CB 3.57Å; L23-F38 HydrophobicContact CD2-CB 3.97Å; L23-F38 HydrophobicContact CD2-CD2 4.37Å; L23-F38 HydrophobicContact CG-CB 3.93Å; L23-F38 PolarHBondContact N-O 3.04Å; E36-F38 HydrophobicContact CB-CE2 4.14Å
39	W	36.5	Very low	29.8	Very low	195 Å²	195	115.9 Å²	115.9	74%	0.739	54%	0.535	S	S	*	.				-136.5	148.2	-125.8	-141.2	-47.9	0	0	0	116.6	P22	P22-W39 WeakPolarHBondContact CD-O 3.43Å; P22-W39 CarbonylContact O-C 3.53Å
40	N	28	Very low	29.4	Very low	132 Å²	132	113.4 Å²	113.4	71%	0.706	51%	0.507	S	S	*	.				-172.6	8.1	128	-100	-36.4	0	0	0	118	P22	P22-N40 PolarHBondContact O-N 3.45Å
41	Q	24.9	Very low	28.9	Very low	156 Å²	156	108.5 Å²	108.5	73%	0.729	49%	0.486	S	S	*	.			trans	-122.5	176.5	-160.9	-57.4	-153.9	21.1	0	0	118	P21	P21-Q41 PolarHBondContact O-NE2 3.1Å
42	R	24.1	Very low	28.4	Very low	224 Å²	224	109 Å²	109	85%	0.845	49%	0.493	S	S	*	.			trans	-102.9	143.5	-165.3	-71	174.3	167.4	162.1	-5.8	114.9
43	H	30.3	Very low	28.5	Very low	175 Å²	175	114.1 Å²	114.1	81%	0.81	53%	0.525	S	S	*	.			trans	48.8	118.7	156.7	-57.9	-58.7	0	0	0	120.7
44	R	23.5	Very low	28.6	Very low	235 Å²	235	123.2 Å²	123.2	89%	0.887	56%	0.559	S	S	*	*				176.7	119.6	116.9	-99.4	169.4	177.1	177	2.6	115.3
45	L	26.8	Very low	29.2	Very low	156 Å²	156	125.1 Å²	125.1	82%	0.817	57%	0.568	S	S	*	*				38.1	143.1	124.8	-87.7	165.1	0	0	0	123.6
46	K	25	Very low	29.5	Very low	174 Å²	174	127.5 Å²	127.5	76%	0.757	58%	0.58	S	S	*	*			trans	85.1	153.2	161	-67.6	179.1	176.6	-172.1	0	116.8
47	K	26.1	Very low	30.1	Very low	98 Å²	98	127.5 Å²	127.5	43%	0.426	58%	0.576	S	S	.	*			cis	-142	168.5	4.5	-144.2	176	161.2	-171.6	0	114.7	Y350 E351	K47-Y350 PolarHBondContact NZ-O 2.99Å; K47-E351 WeakPolarHBondContact CD-OE2 3.42Å; K47-E351 WeakPolarHBondContact CE-OE2 3.24Å; K47-E351 VanDerWaalsContact NZ-CA 3.31Å; K47-E351 IonicContact NZ-OE1 3.47Å; K47-E351 PolarHBondContact NZ-OE1 3.49Å; K47-E351 IonicContact NZ-OE2 3.53Å; K47-E351 PolarHBondContact NZ-OE2 2.87Å
48	I	31.8	Very low	30.9	Very low	63 Å²	63	126.7 Å²	126.7	32%	0.323	57%	0.567	S	S	.	*			trans	-96.1	144.6	179.3	-39	175.6	0	0	0	110.7	R95 F349	I48-R95 HydrophobicContact CG2-CB 4.36Å; I48-F349 HydrophobicContact CB-CD2 4.16Å; I48-F349 HydrophobicContact CB-CE2 4.16Å; I48-F349 HydrophobicContact CG2-CD2 3.8Å; I48-F349 HydrophobicContact CG2-CE2 3.52Å
49	K	26.3	Very low	31.7	Very low	153 Å²	153	125.3 Å²	125.3	67%	0.665	56%	0.562	S	S	*	*			trans	-147.8	128.9	174	-94.2	-147.7	157.9	-146.4	0	107
50	E	27.7	Very low	32	Very low	40 Å²	40	121.7 Å²	121.7	19%	0.187	56%	0.557	C	S	.	*			cis	-162.6	145	5.7	-75.9	-148.2	69.4	0	0	109.7	K346 G347 S348 F349	E50-K346 CarbonylContact O-C 3.45Å; E50-G347 VanDerWaalsContact C-CA 3.45Å; E50-G347 VanDerWaalsContact CB-C 3.41Å; E50-G347 WeakPolarHBondContact O-CA 2.93Å; E50-G347 PolarHBondContact O-N 2.93Å; E50-S348 VanDerWaalsContact CB-CA 3.48Å; E50-S348 VanDerWaalsContact CB-N 3.26Å; E50-S348 VanDerWaalsContact OE1-CA 3.25Å; E50-S348 WeakPolarHBondContact OE1-CA 3.25Å; E50-F349 VanDerWaalsContact CA-CD2 3.4Å; E50-F349 HydrophobicContact CB-CB 4.4Å; E50-F349 HydrophobicContact CG-CB 4.17Å; E50-F349 PolarHBondContact OE1-N 3.19Å
51	I	28.9	Very low	32.8	Very low	62 Å²	62	119.4 Å²	119.4	32%	0.318	55%	0.548	S	S	.	.			trans	-152.1	134.4	167.7	-48.9	179.3	0	0	0	115.6	S348	I51-S348 CarbonylContact C-O 2.85Å; I51-S348 VanDerWaalsContact CA-N 3.29Å; I51-S348 WeakPolarHBondContact CA-O 3.47Å; I51-S348 PolarHBondContact N-O 2.92Å
52	S	31.3	Very low	33.8	Very low	60 Å²	60	117.9 Å²	117.9	42%	0.42	55%	0.554	S	S	.	*			trans	-120.3	172.4	179.3	-166.5	0	0	0	0	116.2	S348	S52-S348 WeakPolarHBondContact CB-OG 3.21Å
53	T	31.5	Very low	34.8	Very low	109 Å²	109	111.7 Å²	111.7	67%	0.669	54%	0.538	S	S	*	.			trans	-115.8	6.1	-158.7	52.2	0	0	0	0	119	E55	T53-E55 PolarHBondContact O-N 2.72Å; T53-E55 VanDerWaalsContact O-N 3.14Å
54	R	35.2	Very low	35.3	Very low	199 Å²	199	110 Å²	110	75%	0.751	54%	0.543	S	S	*	.			trans	-86	39.8	-166.7	-65.9	-177.4	168.4	177.8	-4.7	117.4
55	E	38.8	Very low	36.2	Very low	80 Å²	80	103 Å²	103	37%	0.374	53%	0.534	S	S	.	.			trans	-134.6	14.5	-162.8	-70.7	-170.4	155.3	0	0	117.9	T53 L123 G124	T53-E55 PolarHBondContact O-N 2.72Å; T53-E55 VanDerWaalsContact O-N 3.14Å; E55-L123 HydrophobicContact CB-CB 4.39Å; E55-L123 HydrophobicContact CB-CD2 3.77Å; E55-G124 PolarHBondContact O-N 3.16Å; E55-G124 VanDerWaalsContact O-N 3.15Å
56	I	37.3	Very low	37.1	Very low	53 Å²	53	98.3 Å²	98.3	27%	0.272	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129	-171.9	-57.8	178.3	0	0	0	113.3	L78 V121	I56-L78 HydrophobicContact CB-CB 4.32Å; I56-L78 HydrophobicContact CG2-CB 3.69Å; I56-L78 HydrophobicContact CG2-CD2 4.08Å; I56-L78 HydrophobicContact CG2-CG 4.48Å; I56-L78 PolarHBondContact O-N 2.84Å; I56-V121 HydrophobicContact CB-CG1 4.41Å; I56-V121 HydrophobicContact CD1-CG1 4.01Å; I56-V121 HydrophobicContact CG1-CG1 3.83Å; I56-V121 HydrophobicContact CG2-CG1 3.9Å; I56-V121 HydrophobicContact CG2-CG2 4.07Å
57	Y	42.6	Very low	37.5	Very low	109 Å²	109	95.1 Å²	95.1	43%	0.427	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	149.1	172.1	-63.3	-99.1	0	0	0	110.8	Q76 P77	Y57-Q76 CarbonylContact C-O 3.49Å; Y57-Q76 WeakPolarHBondContact CA-O 3.27Å; Y57-Q76 WeakPolarHBondContact CB-O 3.37Å; Y57-P77 HydrophobicContact CD1-CB 4.17Å; Y57-P77 HydrophobicContact CE1-CB 4.15Å
58	Y	44.3	Very low	38	Very low	82 Å²	82	99.3 Å²	99.3	32%	0.322	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	167.9	175.9	81.5	-79.3	0	0	0	113.2	N60 W75 Q76 P77 L78	Y58-N60 HydrophobicContact CE2-CB 4.17Å; Y58-W75 WeakPolarHBondContact O-CA 3.33Å; Y58-Q76 HydrophobicContact CD1-CB 4.06Å; Y58-Q76 HydrophobicContact CE1-CB 3.61Å; Y58-Q76 PolarHBondContact N-O 2.73Å; Y58-Q76 PolarHBondContact O-N 3.41Å; Y58-P77 WeakPolarHBondContact CD1-O 3.3Å; Y58-P77 WeakPolarHBondContact CE1-O 3.31Å; Y58-L78 HydrophobicContact CD1-CD1 4.25Å
59	H	45.1	Very low	38.1	Very low	77 Å²	77	101.4 Å²	101.4	36%	0.356	56%	0.557	S	S	.	*			trans	-136.7	116	-177.4	-177	-80.4	0	0	0	110	T61 W75	H59-T61 PolarHBondContact ND1-OG1 3.39Å; H59-W75 HydrophobicContact CB-CD2 4.32Å; H59-W75 HydrophobicContact CB-CE3 3.95Å; H59-W75 HydrophobicContact CB-CH2 4.07Å; H59-W75 HydrophobicContact CB-CZ2 4.43Å; H59-W75 HydrophobicContact CB-CZ3 3.82Å
60	N	42.8	Very low	38.4	Very low	118 Å²	118	103 Å²	103	63%	0.631	57%	0.567	S	S	*	*			trans	-95.2	116.8	-176.7	-169.5	-11.1	0	0	0	111	Y58	Y58-N60 HydrophobicContact CE2-CB 4.17Å
61	T	45.3	Very low	38.8	Very low	85 Å²	85	107 Å²	107	52%	0.521	59%	0.586	S	S	.	*			trans	-139.8	107.8	178.2	17.7	0	0	0	0	112.5	H59 D63	H59-T61 PolarHBondContact ND1-OG1 3.39Å; T61-D63 VanDerWaalsContact C-N 3.31Å
62	S	44.3	Very low	39.1	Very low	123 Å²	123	114 Å²	114	86%	0.86	61%	0.61	S	S	*	*			trans	-91.5	22.9	174.2	48.5	0	0	0	0	113.7
63	D	45.9	Very low	39.7	Very low	95 Å²	95	114.6 Å²	114.6	51%	0.508	63%	0.625	S	S	.	*			trans	-124	109.7	-179.3	-176.2	-6.5	0	0	0	111.1	T61 A65	T61-D63 VanDerWaalsContact C-N 3.31Å; D63-A65 PolarHBondContact O-N 3.45Å; D63-A65 WeakPolarHBondContact OD1-CB 3.42Å; D63-A65 PolarHBondContact OD1-N 3.35Å
64	P	41.6	Very low	40.3	Very low	140 Å²	140	117.5 Å²	117.5	91%	0.909	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-4.2	177.9	-20.2	33.5	0	0	0	116
65	A	41.7	Very low	40.8	Very low	86 Å²	86	113.3 Å²	113.3	71%	0.711	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.8	-3	-170.8	0	0	0	0	0	115	D63	D63-A65 PolarHBondContact O-N 3.45Å; D63-A65 WeakPolarHBondContact OD1-CB 3.42Å; D63-A65 PolarHBondContact OD1-N 3.35Å
66	A	45.2	Very low	41.2	Very low	59 Å²	59	113.6 Å²	113.6	49%	0.488	61%	0.609	S	S	.	*			trans	-78	129.5	-175.8	0	0	0	0	0	112.8
67	P	34.6	Very low	41.5	Very low	107 Å²	107	113.1 Å²	113.1	70%	0.695	61%	0.609	S	S	*	*			trans	-72.7	142.8	174.4	29.9	-34.1	0	0	0	111.8	V69	P67-V69 HydrophobicContact CG-CG2 4.4Å; P67-V69 PolarHBondContact O-N 3.18Å
68	L	35.6	Very low	41.4	Very low	185 Å²	185	110.6 Å²	110.6	97%	0.969	60%	0.603	S	S	*	*			trans	-68.5	98.6	175	-74.1	163.8	0	0	0	110.9
69	V	34.9	Very low	41.1	Very low	108 Å²	108	110.7 Å²	110.7	66%	0.655	61%	0.609	S	S	*	*			trans	-113.2	131.5	174.9	-177.5	0	0	0	0	109.4	P67 E71	P67-V69 HydrophobicContact CG-CG2 4.4Å; P67-V69 PolarHBondContact O-N 3.18Å; V69-E71 VanDerWaalsContact C-N 3.3Å; V69-E71 HydrophobicContact CG1-CG 4.37Å; V69-E71 PolarHBondContact O-N 2.72Å
70	E	30.8	Very low	40.8	Very low	187 Å²	187	107.4 Å²	107.4	87%	0.874	59%	0.594	S	S	*	*			trans	-78.3	65	-172	-61.2	-171.2	125.1	0	0	113.7
71	E	37.1	Very low	40.4	Very low	123 Å²	123	104.3 Å²	104.3	58%	0.575	58%	0.577	S	S	*	*			trans	-91.6	122.1	172.7	-69.2	-166.5	153	0	0	112.6	V69 G73	V69-E71 VanDerWaalsContact C-N 3.3Å; V69-E71 HydrophobicContact CG1-CG 4.37Å; V69-E71 PolarHBondContact O-N 2.72Å; E71-G73 PolarHBondContact O-N 2.79Å
72	Y	34.4	Very low	39.9	Very low	210 Å²	210	100.4 Å²	100.4	82%	0.824	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	17.8	-175.7	-86.4	-99.2	0	0	0	115.5
73	G	44.2	Very low	39.4	Very low	71 Å²	71	98.2 Å²	98.2	73%	0.732	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.8	7.5	-166.6	0	0	0	0	0	117.3	E71	E71-G73 PolarHBondContact O-N 2.79Å
74	R	44.8	Very low	39	Very low	170 Å²	170	94.1 Å²	94.1	64%	0.642	51%	0.508	S	S	*	.			trans	-126.8	19.1	-173.3	-59.1	-169	-171	-166.9	4.8	115.7
75	W	46.2	Very low	38.8	Very low	112 Å²	112	89.3 Å²	89.3	42%	0.424	48%	0.476	S	S	.	.			trans	-102.1	129.2	179.7	-64.5	82.8	0	0	0	110.3	Y58 H59	Y58-W75 WeakPolarHBondContact O-CA 3.33Å; H59-W75 HydrophobicContact CB-CD2 4.32Å; H59-W75 HydrophobicContact CB-CE3 3.95Å; H59-W75 HydrophobicContact CB-CH2 4.07Å; H59-W75 HydrophobicContact CB-CZ2 4.43Å; H59-W75 HydrophobicContact CB-CZ3 3.82Å
76	Q	45.9	Very low	38.3	Very low	85 Å²	85	86.1 Å²	86.1	40%	0.397	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	149	174.2	-66.7	-177.6	-82.2	0	0	109.6	Y57 Y58	Y57-Q76 CarbonylContact C-O 3.49Å; Y57-Q76 WeakPolarHBondContact CA-O 3.27Å; Y57-Q76 WeakPolarHBondContact CB-O 3.37Å; Y58-Q76 HydrophobicContact CD1-CB 4.06Å; Y58-Q76 HydrophobicContact CE1-CB 3.61Å; Y58-Q76 PolarHBondContact N-O 2.73Å; Y58-Q76 PolarHBondContact O-N 3.41Å
77	P	44.2	Very low	37.6	Very low	43 Å²	43	86.4 Å²	86.4	28%	0.279	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	-172	-179.2	30.3	-33.4	0	0	0	113.1	Y57 Y58 L79 D235	Y57-P77 HydrophobicContact CD1-CB 4.17Å; Y57-P77 HydrophobicContact CE1-CB 4.15Å; Y58-P77 WeakPolarHBondContact CD1-O 3.3Å; Y58-P77 WeakPolarHBondContact CE1-O 3.31Å; P77-L79 HydrophobicContact CB-CG 4.16Å; P77-L79 HydrophobicContact CG-CD1 3.73Å; P77-L79 HydrophobicContact CG-CG 3.85Å; P77-D235 WeakPolarHBondContact CG-OD2 3.34Å; P77-D235 VanDerWaalsContact O-OD2 3.08Å
78	L	41.2	Very low	37.3	Very low	57 Å²	57	82.9 Å²	82.9	30%	0.298	41%	0.413	S	S	.	.			trans	-128.1	96.6	160.4	-146.3	79.2	0	0	0	109	I56 Y58 V80 D235	I56-L78 HydrophobicContact CB-CB 4.32Å; I56-L78 HydrophobicContact CG2-CB 3.69Å; I56-L78 HydrophobicContact CG2-CD2 4.08Å; I56-L78 HydrophobicContact CG2-CG 4.48Å; I56-L78 PolarHBondContact O-N 2.84Å; Y58-L78 HydrophobicContact CD1-CD1 4.25Å; L78-V80 HydrophobicContact CG-CG2 4.28Å; L78-V80 WeakPolarHBondContact O-CG2 3.49Å; L78-D235 WeakPolarHBondContact CA-OD2 3.1Å; L78-D235 HydrophobicContact CD1-CB 4.24Å; L78-D235 PolarHBondContact N-OD2 3.04Å
79	L	36.7	Very low	36.9	Very low	83 Å²	83	79.3 Å²	79.3	44%	0.435	40%	0.403	S	S	.	.			trans	-103.7	100.9	-168.2	-77.6	166.6	0	0	0	113.9	P77 D81 I234 D235 H236 S237	P77-L79 HydrophobicContact CB-CG 4.16Å; P77-L79 HydrophobicContact CG-CD1 3.73Å; P77-L79 HydrophobicContact CG-CG 3.85Å; L79-D81 PolarHBondContact O-N 2.74Å; L79-I234 CarbonylContact C-O 3.46Å; L79-I234 VanDerWaalsContact C-O 3.24Å; L79-D235 WeakPolarHBondContact CA-OD2 3.27Å; L79-D235 WeakPolarHBondContact CB-OD2 3.23Å; L79-D235 VanDerWaalsContact CG-OD2 3.32Å; L79-D235 WeakPolarHBondContact CG-OD2 3.14Å; L79-D235 PolarHBondContact N-OD2 3.46Å; L79-D235 CarbonylContact O-C 3.47Å; L79-H236 CarbonylContact O-C 3.54Å; L79-H236 WeakPolarHBondContact O-CA 3.5Å; L79-H236 PolarHBondContact O-N 2.82Å; L79-S237 PolarHBondContact O-N 2.98Å; L79-S237 VanDerWaalsContact O-N 3.08Å; L79-S237 PolarHBondContact O-OG 2.76Å
80	V	38.4	Very low	36.6	Very low	9 Å²	9	81.9 Å²	81.9	6%	0.055	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-59.4	81.9	-156.7	-147	0	0	0	0	120.8	L78 R231 D233 I234 S237	L78-V80 HydrophobicContact CG-CG2 4.28Å; L78-V80 WeakPolarHBondContact O-CG2 3.49Å; V80-R231 VanDerWaalsContact CA-O 3.29Å; V80-R231 WeakPolarHBondContact CA-O 3.29Å; V80-R231 VanDerWaalsContact CB-C 3.41Å; V80-R231 HydrophobicContact CB-CB 4.37Å; V80-R231 WeakPolarHBondContact CB-O 3.05Å; V80-R231 HydrophobicContact CG1-CB 3.76Å; V80-R231 HydrophobicContact CG1-CG 3.59Å; V80-R231 PolarHBondContact O-N 2.99Å; V80-D233 HydrophobicContact CG1-CB 4.48Å; V80-I234 WeakPolarHBondContact CB-O 3.4Å; V80-I234 HydrophobicContact CG1-CB 3.83Å; V80-I234 HydrophobicContact CG1-CG1 4.41Å; V80-I234 WeakPolarHBondContact CG1-O 3.41Å; V80-I234 WeakPolarHBondContact CG2-O 3.23Å; V80-S237 VanDerWaalsContact C-CB 3.48Å; V80-S237 PolarHBondContact N-OG 2.67Å; V80-S237 VanDerWaalsContact O-CB 3.22Å; V80-S237 WeakPolarHBondContact O-CB 3.38Å; V80-S237 PolarHBondContact O-OG 2.75Å
81	D	35	Very low	36.5	Very low	52 Å²	52	80 Å²	80	28%	0.278	39%	0.39	S	S	.	.			trans	-51.3	146.6	164.2	172.7	55.1	0	0	0	113.6	L79 R231 I234 S237	L79-D81 PolarHBondContact O-N 2.74Å; D81-R231 WeakPolarHBondContact O-CB 3.32Å; D81-R231 WeakPolarHBondContact O-CD 3.24Å; D81-R231 WeakPolarHBondContact O-CG 3.45Å; D81-R231 PolarHBondContact O-NE 2.8Å; D81-R231 PolarHBondContact O-NH1 2.76Å; D81-R231 IonicContact OD2-CZ 3.97Å; D81-R231 IonicContact OD2-NH1 3.58Å; D81-R231 PolarHBondContact OD2-NH1 2.73Å; D81-I234 PolarHBondContact N-O 3.31Å; D81-S237 PolarHBondContact N-OG 2.92Å
82	E	35.6	Very low	36.1	Very low	3 Å²	3	77.1 Å²	77.1	1%	0.014	38%	0.381	C	S	.	.	S	Bend	trans	-115.7	12.5	-131.5	-145.8	151.2	133.2	0	0	121.9	K86 L229 Y230 R231 Q238 P239 L240	E82-K86 VanDerWaalsContact O-CE 3.3Å; E82-K86 WeakPolarHBondContact O-CE 3.42Å; E82-L229 WeakPolarHBondContact OE1-CA 3.45Å; E82-L229 WeakPolarHBondContact OE1-CB 3.22Å; E82-L229 PolarHBondContact OE1-N 3.16Å; E82-Y230 VanDerWaalsContact CD-CA 3.42Å; E82-Y230 PolarHBondContact OE1-N 2.89Å; E82-Y230 WeakPolarHBondContact OE2-CA 3.42Å; E82-Y230 PolarHBondContact OE2-N 3.14Å; E82-R231 VanDerWaalsContact C-CD 3.47Å; E82-R231 HydrophobicContact CB-CB 4.49Å; E82-R231 HydrophobicContact CG-CB 4.35Å; E82-Q238 VanDerWaalsContact CB-O 3.24Å; E82-Q238 WeakPolarHBondContact CB-O 3.43Å; E82-P239 WeakPolarHBondContact OE2-CA 3.44Å; E82-L240 HydrophobicContact CB-CB 4Å; E82-L240 HydrophobicContact CG-CB 3.62Å; E82-L240 WeakPolarHBondContact OE1-CA 3.47Å; E82-L240 VanDerWaalsContact OE1-CB 3.28Å; E82-L240 WeakPolarHBondContact OE1-CB 3.39Å; E82-L240 PolarHBondContact OE1-N 2.87Å
83	E	33.9	Very low	35.7	Very low	78 Å²	78	72 Å²	72	36%	0.364	37%	0.367	S	S	.	.	S	Bend	trans	-97.1	-50.6	178.9	-60.6	-165.8	100.8	0	0	118.2	T85 K86 R231 G388	E83-T85 PolarHBondContact O-N 3.02Å; E83-K86 VanDerWaalsContact O-CB 3.24Å; E83-K86 WeakPolarHBondContact O-CB 3.45Å; E83-K86 WeakPolarHBondContact O-CD 3.34Å; E83-K86 WeakPolarHBondContact O-CG 3.48Å; E83-K86 PolarHBondContact O-N 2.81Å; E83-R231 VanDerWaalsContact N-CD 3.25Å; E83-G388 WeakPolarHBondContact OE1-CA 3.49Å; E83-G388 PolarHBondContact OE1-N 3.47Å; E83-G388 VanDerWaalsContact OE1-N 3.07Å
84	D	36.9	Very low	35	Very low	9 Å²	9	73.3 Å²	73.3	5%	0.048	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-66.5	-14.2	-177.1	-63.3	-37.6	0	0	0	117.5	K86 K87 V88 R231	D84-K86 PolarHBondContact O-N 3.42Å; D84-K86 VanDerWaalsContact O-N 3.07Å; D84-K87 CarbonylContact O-C 3.56Å; D84-K87 WeakPolarHBondContact O-CA 3.26Å; D84-K87 WeakPolarHBondContact O-CB 3.47Å; D84-K87 PolarHBondContact O-N 2.86Å; D84-K87 IonicContact OD1-NZ 3.14Å; D84-V88 WeakPolarHBondContact O-CG2 3.1Å; D84-V88 PolarHBondContact O-N 3.13Å; D84-R231 IonicContact OD1-NH2 2.74Å; D84-R231 IonicContact OD2-CZ 2.68Å; D84-R231 IonicContact OD2-NH2 3.8Å; D84-R231 PolarHBondContact OD2-NH2 3.42Å
85	T	37.8	Very low	34.1	Very low	38 Å²	38	73 Å²	73	23%	0.233	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-58.1	-28.5	172.4	13.7	0	0	0	0	110.6	E83 K87 R231	E83-T85 PolarHBondContact O-N 3.02Å; T85-K87 PolarHBondContact O-N 3.08Å; T85-R231 HydrophobicContact CG2-CB 3.88Å; T85-R231 HydrophobicContact CG2-CG 3.81Å; T85-R231 VanDerWaalsContact N-CD 3.26Å; T85-R231 WeakPolarHBondContact OG1-CB 3.49Å; T85-R231 VanDerWaalsContact OG1-CG 3.24Å; T85-R231 WeakPolarHBondContact OG1-CG 3.33Å
86	K	30.9	Very low	33.2	Very low	20 Å²	20	73.1 Å²	73.1	9%	0.087	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-72.1	-19.5	177.5	-44.9	177.1	-177.7	163.8	0	111.6	E82 E83 D84 L381 L386 L387	E82-K86 VanDerWaalsContact O-CE 3.3Å; E82-K86 WeakPolarHBondContact O-CE 3.42Å; E83-K86 VanDerWaalsContact O-CB 3.24Å; E83-K86 WeakPolarHBondContact O-CB 3.45Å; E83-K86 WeakPolarHBondContact O-CD 3.34Å; E83-K86 WeakPolarHBondContact O-CG 3.48Å; E83-K86 PolarHBondContact O-N 2.81Å; D84-K86 PolarHBondContact O-N 3.42Å; D84-K86 VanDerWaalsContact O-N 3.07Å; K86-L381 HydrophobicContact CB-CD1 4.05Å; K86-L381 HydrophobicContact CD-CB 4.32Å; K86-L381 HydrophobicContact CD-CD1 3.88Å; K86-L381 HydrophobicContact CD-CD2 3.94Å; K86-L381 HydrophobicContact CD-CG 4.26Å; K86-L381 HydrophobicContact CG-CD1 3.6Å; K86-L381 HydrophobicContact CG-CG 4.5Å; K86-L386 PolarHBondContact NZ-O 3.04Å; K86-L387 HydrophobicContact CB-CD2 3.87Å; K86-L387 HydrophobicContact CB-CG 4.25Å; K86-L387 HydrophobicContact CD-CD2 4.14Å; K86-L387 HydrophobicContact CD-CG 3.99Å
87	K	30.3	Very low	32.2	Very low	64 Å²	64	74.7 Å²	74.7	28%	0.278	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-29.4	175.3	-60.5	176.3	-173	162.7	0	112.1	D84 T85 S89 L387	D84-K87 CarbonylContact O-C 3.56Å; D84-K87 WeakPolarHBondContact O-CA 3.26Å; D84-K87 WeakPolarHBondContact O-CB 3.47Å; D84-K87 PolarHBondContact O-N 2.86Å; D84-K87 IonicContact OD1-NZ 3.14Å; T85-K87 PolarHBondContact O-N 3.08Å; K87-S89 VanDerWaalsContact C-N 3.29Å; K87-S89 PolarHBondContact O-N 3.34Å; K87-L387 HydrophobicContact CD-CD2 4.48Å; K87-L387 HydrophobicContact CG-CD2 4.15Å
88	V	29.5	Very low	31.4	Very low	34 Å²	34	79.1 Å²	79.1	21%	0.206	39%	0.389	C	S	.	.			trans	-76.3	72.3	177.3	-173.4	0	0	0	0	112.3	D84 R90 F91	D84-V88 WeakPolarHBondContact O-CG2 3.1Å; D84-V88 PolarHBondContact O-N 3.13Å; V88-R90 PolarHBondContact O-N 2.9Å; V88-R90 VanDerWaalsContact O-N 3.11Å; V88-F91 HydrophobicContact CB-CE2 4.4Å; V88-F91 HydrophobicContact CG1-CD2 4.26Å; V88-F91 HydrophobicContact CG1-CE2 3.72Å; V88-F91 HydrophobicContact CG1-CZ 3.93Å
89	S	26.5	Very low	30.5	Very low	109 Å²	109	81.9 Å²	81.9	76%	0.762	41%	0.411	S	S	*	.			trans	-72.8	6.7	-179.4	59.6	0	0	0	0	116	K87	K87-S89 VanDerWaalsContact C-N 3.29Å; K87-S89 PolarHBondContact O-N 3.34Å
90	R	27.6	Very low	29.9	Very low	163 Å²	163	88.3 Å²	88.3	62%	0.615	43%	0.43	S	S	*	.			trans	-145.1	78.2	-171.3	-66.2	-172	-178.4	164.8	3	115.1	V88	V88-R90 PolarHBondContact O-N 2.9Å; V88-R90 VanDerWaalsContact O-N 3.11Å
91	F	28.9	Very low	29.4	Very low	146 Å²	146	95.2 Å²	95.2	64%	0.64	46%	0.461	S	S	*	.			trans	-87.8	131.4	152.8	-67.4	-83.2	0	0	0	109.7	V88	V88-F91 HydrophobicContact CB-CE2 4.4Å; V88-F91 HydrophobicContact CG1-CD2 4.26Å; V88-F91 HydrophobicContact CG1-CE2 3.72Å; V88-F91 HydrophobicContact CG1-CZ 3.93Å
92	V	29.3	Very low	29.2	Very low	64 Å²	64	99.1 Å²	99.1	39%	0.388	48%	0.476	S	S	.	.			trans	-129.4	122.2	171.3	171.7	0	0	0	0	109.4	L94 Y578 N580	V92-L94 HydrophobicContact CG1-CD1 4.06Å; V92-L94 HydrophobicContact CG1-CG 4.28Å; V92-Y578 HydrophobicContact CG1-CD1 4.26Å; V92-N580 VanDerWaalsContact CG2-OD1 3.23Å; V92-N580 WeakPolarHBondContact CG2-OD1 3.47Å
93	L	26.2	Very low	29	Very low	101 Å²	101	105.7 Å²	105.7	53%	0.529	51%	0.507	S	S	.	.			trans	-128.9	113.7	177.7	-93.5	163.2	0	0	0	108.6
94	L	29.1	Very low	29	Very low	100 Å²	100	107.1 Å²	107.1	52%	0.524	51%	0.512	S	S	.	.			trans	-127.4	131.3	179.4	-74.4	166.7	0	0	0	111.3	V92 Y578	V92-L94 HydrophobicContact CG1-CD1 4.06Å; V92-L94 HydrophobicContact CG1-CG 4.28Å; L94-Y578 HydrophobicContact CD1-CG 4.28Å
95	R	26.9	Very low	28.9	Very low	164 Å²	164	113.5 Å²	113.5	62%	0.619	54%	0.539	S	S	*	.			trans	-26.9	131.4	179.6	-178.6	-179.2	177.4	175.2	-1.8	116.1	I48 E97	I48-R95 HydrophobicContact CG2-CB 4.36Å; R95-E97 IonicContact CZ-OE1 3.04Å; R95-E97 IonicContact NE-OE1 3.19Å; R95-E97 IonicContact NH2-OE1 3.36Å; R95-E97 PolarHBondContact NH2-OE1 3.37Å
96	H	26.4	Very low	28.9	Very low	114 Å²	114	114.4 Å²	114.4	53%	0.528	54%	0.544	S	S	.	.			trans	-132.3	135.5	169.8	-158.5	-72	0	0	0	110.3	L98 Q562	H96-L98 PolarHBondContact ND1-O 2.85Å; H96-Q562 PolarHBondContact CD2-NE2 3.41Å; H96-Q562 PolarHBondContact NE2-NE2 2.76Å
97	E	24.8	Very low	29.3	Very low	118 Å²	118	118.4 Å²	118.4	55%	0.551	57%	0.566	S	S	*	*			trans	-105	152	167.9	-72.5	176.9	-158.6	0	0	109.5	R95	R95-E97 IonicContact CZ-OE1 3.04Å; R95-E97 IonicContact NE-OE1 3.19Å; R95-E97 IonicContact NH2-OE1 3.36Å; R95-E97 PolarHBondContact NH2-OE1 3.37Å
98	L	26.7	Very low	30	Very low	135 Å²	135	117.7 Å²	117.7	71%	0.707	56%	0.562	S	S	*	*	S	Bend	trans	71	136.1	-175.8	-54	175.6	0	0	0	116.7	H96	H96-L98 PolarHBondContact ND1-O 2.85Å
99	C	23.3	Very low	30.6	Very low	115 Å²	115	122.3 Å²	122.3	78%	0.777	58%	0.577	S	S	*	*			trans	-108.7	141.1	-165.9	-59.9	0	0	0	0	112.7
100	R	24.8	Very low	31.3	Very low	219 Å²	219	117.4 Å²	117.4	83%	0.826	54%	0.543	S	S	*	.				178.3	130.1	127	-99.2	169.8	-167.8	-172.4	5.6	110.7
101	E	27.9	Very low	31.5	Very low	153 Å²	153	113.3 Å²	113.3	72%	0.715	54%	0.538	S	S	*	.			trans	65.6	149.9	155.2	-59.5	-160.5	135.3	0	0	118.8
102	K	30.8	Very low	32	Very low	134 Å²	134	113.5 Å²	113.5	58%	0.583	55%	0.545	S	S	*	.			cis	-156.5	-7.9	-33.5	-126.7	170	-168.2	156.8	0	114.6
103	E	30.4	Very low	32.5	Very low	141 Å²	141	117 Å²	117	66%	0.659	56%	0.561	S	S	*	*			trans	-138.5	147.3	-162.6	-67.5	175.1	173.5	0	0	110.8	L120	E103-L120 HydrophobicContact CB-CD2 3.72Å; E103-L120 HydrophobicContact CG-CD2 3.7Å
104	F	35.1	Very low	33.1	Very low	109 Å²	109	115 Å²	115	48%	0.478	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.3	136.5	174.7	-63.3	-85.6	0	0	0	111.2	V121 L123	F104-V121 HydrophobicContact CB-CB 4.35Å; F104-V121 HydrophobicContact CB-CG1 4.49Å; F104-V121 PolarHBondContact N-O 3.41Å; F104-V121 VanDerWaalsContact N-O 3.08Å; F104-V121 PolarHBondContact O-N 2.85Å; F104-L123 HydrophobicContact CE2-CD1 3.87Å; F104-L123 HydrophobicContact CE2-CG 4.12Å
105	K	33.5	Very low	33.8	Very low	143 Å²	143	114.7 Å²	114.7	62%	0.622	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.7	141.8	156.9	-82.4	-167.9	161.8	-161.2	0	108.9	E117	K105-E117 WeakPolarHBondContact CD-OE1 3.4Å; K105-E117 WeakPolarHBondContact CE-OE1 3.47Å; K105-E117 IonicContact NZ-OE1 3.29Å; K105-E117 PolarHBondContact NZ-OE1 2.87Å; K105-E117 IonicContact NZ-OE2 3.89Å
106	V	38.1	Very low	34.5	Very low	56 Å²	56	111.6 Å²	111.6	34%	0.339	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135	170.2	-177.9	0	0	0	0	108.6	W108 A118 V121	V106-W108 HydrophobicContact CG1-CE3 4.37Å; V106-A118 PolarHBondContact O-N 2.95Å; V106-V121 HydrophobicContact CG2-CB 4.38Å; V106-V121 HydrophobicContact CG2-CG2 3.93Å
107	L	39.3	Very low	35.2	Very low	105 Å²	105	112 Å²	112	55%	0.55	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.6	174.4	-69.4	165.1	0	0	0	107.3	L115 E117	L107-L115 HydrophobicContact CB-CD1 4.28Å; L107-L115 HydrophobicContact CD2-CD1 4.07Å; L107-L115 HydrophobicContact CD2-CD2 4.25Å; L107-L115 HydrophobicContact CD2-CG 4.24Å; L107-E117 HydrophobicContact CD2-CG 3.48Å; L107-E117 VanDerWaalsContact CD2-CG 3.48Å
108	W	44	Very low	35.9	Very low	48 Å²	48	107.8 Å²	107.8	18%	0.182	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	162.6	167	77.7	87.8	0	0	0	111.5	V106 H116 A118 I234	V106-W108 HydrophobicContact CG1-CE3 4.37Å; W108-H116 HydrophobicContact CD2-CB 4.25Å; W108-H116 HydrophobicContact CZ2-CB 4.36Å; W108-H116 PolarHBondContact N-O 3.19Å; W108-H116 PolarHBondContact O-N 3.24Å; W108-A118 HydrophobicContact CH2-CB 4.29Å; W108-A118 HydrophobicContact CZ3-CB 3.75Å; W108-I234 HydrophobicContact CZ2-CG1 4.19Å
109	Y	42.6	Very low	36.5	Very low	132 Å²	132	110.1 Å²	110.1	52%	0.518	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.8	174.7	-78.6	-101.3	0	0	0	108.4	D113 T114 L115	Y109-D113 WeakPolarHBondContact CD1-O 3.27Å; Y109-T114 WeakPolarHBondContact CA-O 3.3Å; Y109-L115 HydrophobicContact CD2-CD1 4.11Å; Y109-L115 HydrophobicContact CE1-CD1 4.41Å; Y109-L115 HydrophobicContact CE2-CD1 3.65Å
110	G	41.8	Very low	37	Very low	6 Å²	6	109.5 Å²	109.5	6%	0.062	53%	0.527	C	S	.	.			trans	-83	-179.9	177	0	0	0	0	0	112.7	L112 D113 T114	G110-L112 PolarHBondContact O-N 3.26Å; G110-D113 PolarHBondContact O-N 2.84Å; G110-T114 PolarHBondContact N-O 3.01Å
111	P	31.8	Very low	37.3	Very low	77 Å²	77	99.9 Å²	99.9	50%	0.5	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-6.3	-172.5	-28.9	36.2	0	0	0	118.1
112	L	39.3	Very low	37.6	Very low	149 Å²	149	98.9 Å²	98.9	78%	0.78	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.2	25.3	-176.7	-66.5	172.7	0	0	0	113	G110 T114	G110-L112 PolarHBondContact O-N 3.26Å; L112-T114 HydrophobicContact CB-CG2 4.08Å; L112-T114 PolarHBondContact O-N 2.77Å; L112-T114 VanDerWaalsContact O-N 3.07Å
113	D	38.8	Very low	37.6	Very low	138 Å²	138	95.5 Å²	95.5	74%	0.738	47%	0.471	S	S	*	.	S	Bend	trans	56.6	17.9	-167.9	-103.4	-15.2	0	0	0	113.5	Y109 G110	Y109-D113 WeakPolarHBondContact CD1-O 3.27Å; G110-D113 PolarHBondContact O-N 2.84Å
114	T	40.6	Very low	37.5	Very low	58 Å²	58	90.1 Å²	90.1	36%	0.356	45%	0.453	S	S	.	.			trans	-78.6	123.6	178.1	43.6	0	0	0	0	110.6	Y109 G110 L112 H116	Y109-T114 WeakPolarHBondContact CA-O 3.3Å; G110-T114 PolarHBondContact N-O 3.01Å; L112-T114 HydrophobicContact CB-CG2 4.08Å; L112-T114 PolarHBondContact O-N 2.77Å; L112-T114 VanDerWaalsContact O-N 3.07Å; T114-H116 WeakPolarHBondContact CB-NE2 3.43Å; T114-H116 PolarHBondContact O-CD2 2.66Å; T114-H116 PolarHBondContact O-N 3.1Å; T114-H116 PolarHBondContact O-NE2 2.76Å; T114-H116 PolarHBondContact OG1-NE2 3.38Å
115	L	42.5	Very low	37.2	Very low	95 Å²	95	89.7 Å²	89.7	50%	0.497	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	121.6	174.5	-175.5	71.3	0	0	0	110.1	L107 Y109	L107-L115 HydrophobicContact CB-CD1 4.28Å; L107-L115 HydrophobicContact CD2-CD1 4.07Å; L107-L115 HydrophobicContact CD2-CD2 4.25Å; L107-L115 HydrophobicContact CD2-CG 4.24Å; Y109-L115 HydrophobicContact CD2-CD1 4.11Å; Y109-L115 HydrophobicContact CE1-CD1 4.41Å; Y109-L115 HydrophobicContact CE2-CD1 3.65Å
116	H	41.7	Very low	36.9	Very low	98 Å²	98	87.3 Å²	87.3	45%	0.454	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.9	173.1	-65.2	-89.3	0	0	0	110	W108 T114	W108-H116 HydrophobicContact CD2-CB 4.25Å; W108-H116 HydrophobicContact CZ2-CB 4.36Å; W108-H116 PolarHBondContact N-O 3.19Å; W108-H116 PolarHBondContact O-N 3.24Å; T114-H116 WeakPolarHBondContact CB-NE2 3.43Å; T114-H116 PolarHBondContact O-CD2 2.66Å; T114-H116 PolarHBondContact O-N 3.1Å; T114-H116 PolarHBondContact O-NE2 2.76Å; T114-H116 PolarHBondContact OG1-NE2 3.38Å
117	E	42.4	Very low	36.5	Very low	122 Å²	122	89.1 Å²	89.1	57%	0.57	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.9	163.6	-84.5	-161.6	115.4	0	0	109.3	K105 L107	K105-E117 WeakPolarHBondContact CD-OE1 3.4Å; K105-E117 WeakPolarHBondContact CE-OE1 3.47Å; K105-E117 IonicContact NZ-OE1 3.29Å; K105-E117 PolarHBondContact NZ-OE1 2.87Å; K105-E117 IonicContact NZ-OE2 3.89Å; L107-E117 HydrophobicContact CD2-CG 3.48Å; L107-E117 VanDerWaalsContact CD2-CG 3.48Å
118	A	39.1	Very low	36.3	Very low	31 Å²	31	93.2 Å²	93.2	26%	0.256	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	140.9	165.4	0	0	0	0	0	110.7	V106 W108	V106-A118 PolarHBondContact O-N 2.95Å; W108-A118 HydrophobicContact CH2-CB 4.29Å; W108-A118 HydrophobicContact CZ3-CB 3.75Å
119	E	39.4	Very low	35.8	Very low	184 Å²	184	96.4 Å²	96.4	86%	0.86	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	126.4	-178.7	-64.1	-166.8	124.4	0	0	112.3
120	L	33.9	Very low	35.8	Very low	101 Å²	101	96.4 Å²	96.4	53%	0.529	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	46.4	88.5	160.4	-84.4	160.6	0	0	0	118.1	E103	E103-L120 HydrophobicContact CB-CD2 3.72Å; E103-L120 HydrophobicContact CG-CD2 3.7Å
121	V	31.4	Very low	35.6	Very low	18 Å²	18	104.9 Å²	104.9	11%	0.109	55%	0.554	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.2	131.7	166.5	163.1	0	0	0	0	111.4	I56 F104 V106	I56-V121 HydrophobicContact CB-CG1 4.41Å; I56-V121 HydrophobicContact CD1-CG1 4.01Å; I56-V121 HydrophobicContact CG1-CG1 3.83Å; I56-V121 HydrophobicContact CG2-CG1 3.9Å; I56-V121 HydrophobicContact CG2-CG2 4.07Å; F104-V121 HydrophobicContact CB-CB 4.35Å; F104-V121 HydrophobicContact CB-CG1 4.49Å; F104-V121 PolarHBondContact N-O 3.41Å; F104-V121 VanDerWaalsContact N-O 3.08Å; F104-V121 PolarHBondContact O-N 2.85Å; V106-V121 HydrophobicContact CG2-CB 4.38Å; V106-V121 HydrophobicContact CG2-CG2 3.93Å
122	R	33.4	Very low	36.2	Very low	131 Å²	131	108.5 Å²	108.5	49%	0.494	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.3	134.8	179.9	-161.8	-173.4	-152.1	-162.7	7.3	110.9
123	L	30	Very low	36.5	Very low	63 Å²	63	111.3 Å²	111.3	33%	0.33	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.4	139.4	172.8	-62.8	175.1	0	0	0	111.2	E55 F104	E55-L123 HydrophobicContact CB-CB 4.39Å; E55-L123 HydrophobicContact CB-CD2 3.77Å; F104-L123 HydrophobicContact CE2-CD1 3.87Å; F104-L123 HydrophobicContact CE2-CG 4.12Å
124	G	29.6	Very low	36.9	Very low	28 Å²	28	107.1 Å²	107.1	29%	0.289	55%	0.545	S	S	.	.			trans	-66.8	174.3	-177.3	0	0	0	0	0	116.7	E55	E55-G124 PolarHBondContact O-N 3.16Å; E55-G124 VanDerWaalsContact O-N 3.15Å
125	P	27.5	Very low	37.4	Very low	101 Å²	101	107.4 Å²	107.4	66%	0.656	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-82.1	149.7	-177.7	33	-34.8	0	0	0	113.5
126	S	28.7	Very low	38.1	Very low	93 Å²	93	104 Å²	104	65%	0.65	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-54.1	148.8	167.4	-178.4	0	0	0	0	111.6
127	P	29.7	Very low	38.9	Very low	94 Å²	94	101.4 Å²	101.4	61%	0.61	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-50.7	146.5	172.9	-27.7	35.2	0	0	0	113	V129	P127-V129 PolarHBondContact O-N 3.32Å
128	Q	33.2	Very low	40	Very low	190 Å²	190	99.3 Å²	99.3	89%	0.888	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-56.1	133.9	175	-74.1	-176.3	-15.3	0	0	110.7	W130	Q128-W130 PolarHBondContact O-N 3.1Å
129	V	34.2	Very low	41.4	Very low	115 Å²	115	103 Å²	103	70%	0.697	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-59.4	122.5	176	-178.5	0	0	0	0	109.3	P127 Q131	P127-V129 PolarHBondContact O-N 3.32Å; V129-Q131 PolarHBondContact O-N 3.14Å
130	W	42.1	Very low	43	Very low	133 Å²	133	99.9 Å²	99.9	50%	0.504	52%	0.519	S	S	.	.			trans	-56.3	110.2	171.6	-105.9	37	0	0	0	109.7	Q128 H132 F134 V320	Q128-W130 PolarHBondContact O-N 3.1Å; W130-H132 PolarHBondContact O-N 2.98Å; W130-H132 VanDerWaalsContact O-N 3.13Å; W130-F134 AromaticContact CE3-CD1 3.74Å; W130-F134 HydrophobicContact CE3-CD1 3.74Å; W130-F134 AromaticContact CE3-CE1 3.82Å; W130-F134 HydrophobicContact CE3-CE1 3.82Å; W130-F134 AromaticContact CZ3-CD1 3.89Å; W130-F134 HydrophobicContact CZ3-CD1 3.89Å; W130-F134 HydrophobicContact CZ3-CE1 4.2Å; W130-V320 HydrophobicContact CD2-CG1 4Å; W130-V320 HydrophobicContact CG-CG1 4.09Å; W130-V320 HydrophobicContact CZ2-CG1 4.34Å
131	Q	38.6	Very low	44.9	Very low	184 Å²	184	98.8 Å²	98.8	86%	0.86	51%	0.513	S	S	*	.			trans	-77.2	8.8	-176.2	-64.5	-164.9	-2.6	0	0	113.9	V129	V129-Q131 PolarHBondContact O-N 3.14Å
132	H	45.2	Very low	46.9	Very low	152 Å²	152	102.5 Å²	102.5	70%	0.704	53%	0.532	S	S	*	.	S	Bend	trans	-116.2	120.2	-176.5	-69.5	-0.6	0	0	0	110.3	W130 F134	W130-H132 PolarHBondContact O-N 2.98Å; W130-H132 VanDerWaalsContact O-N 3.13Å; H132-F134 PolarHBondContact O-N 3.46Å; H132-F134 VanDerWaalsContact O-N 3.13Å
133	K	43.9	Very low	48.9	Very low	209 Å²	209	101.8 Å²	101.8	91%	0.909	53%	0.533	S	S	*	.			trans	-68	107	169.1	-71.4	-170.4	174.3	-167.6	0	108.7
134	F	48.5	Very low	51	Low	50 Å²	50	101.7 Å²	101.7	22%	0.219	53%	0.533	C	S	.	.			trans	-91.8	150	161.3	57.9	-87.8	0	0	0	109.2	W130 H132 I136 L215 A321 L339	W130-F134 AromaticContact CE3-CD1 3.74Å; W130-F134 HydrophobicContact CE3-CD1 3.74Å; W130-F134 AromaticContact CE3-CE1 3.82Å; W130-F134 HydrophobicContact CE3-CE1 3.82Å; W130-F134 AromaticContact CZ3-CD1 3.89Å; W130-F134 HydrophobicContact CZ3-CD1 3.89Å; W130-F134 HydrophobicContact CZ3-CE1 4.2Å; H132-F134 PolarHBondContact O-N 3.46Å; H132-F134 VanDerWaalsContact O-N 3.13Å; F134-I136 HydrophobicContact CD2-CD1 4.08Å; F134-I136 HydrophobicContact CD2-CG1 3.95Å; F134-I136 HydrophobicContact CE2-CD1 3.88Å; F134-I136 HydrophobicContact CE2-CG1 4.24Å; F134-L215 HydrophobicContact CE2-CD1 4.07Å; F134-L215 HydrophobicContact CZ-CD1 4.2Å; F134-A321 HydrophobicContact CZ-CB 4.01Å; F134-L339 HydrophobicContact CE2-CD1 4.29Å
135	S	51.1	Low	52.8	Low	64 Å²	64	104 Å²	104	45%	0.448	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.3	170.7	50.1	0	0	0	0	109	S157	S135-S157 PolarHBondContact N-O 3.39Å; S135-S157 PolarHBondContact O-N 3.35Å; S135-S157 WeakPolarHBondContact OG-CB 3.44Å; S135-S157 PolarHBondContact OG-O 3.05Å; S135-S157 VanDerWaalsContact OG-O 3.13Å
136	I	57.5	Low	54.9	Low	23 Å²	23	107.1 Å²	107.1	12%	0.118	56%	0.56	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.2	122.9	-179.2	-60.4	178.5	0	0	0	107.4	F134 L154 Y156 L215 F323	F134-I136 HydrophobicContact CD2-CD1 4.08Å; F134-I136 HydrophobicContact CD2-CG1 3.95Å; F134-I136 HydrophobicContact CE2-CD1 3.88Å; F134-I136 HydrophobicContact CE2-CG1 4.24Å; I136-L154 HydrophobicContact CG2-CD2 3.92Å; I136-Y156 HydrophobicContact CD1-CD1 4.32Å; I136-Y156 HydrophobicContact CD1-CE1 4.01Å; I136-Y156 HydrophobicContact CG1-CD1 3.95Å; I136-Y156 HydrophobicContact CG1-CE1 4.11Å; I136-L215 HydrophobicContact CD1-CD1 4.41Å; I136-F323 HydrophobicContact CD1-CE1 3.78Å; I136-F323 HydrophobicContact CD1-CE2 3.89Å; I136-F323 HydrophobicContact CD1-CZ 3.27Å
137	S	57.5	Low	57.1	Low	44 Å²	44	105.7 Å²	105.7	31%	0.308	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.8	135.1	173.6	58.8	0	0	0	0	109.4	A155	S137-A155 PolarHBondContact N-O 3.45Å; S137-A155 PolarHBondContact O-N 2.98Å; S137-A155 WeakPolarHBondContact OG-CB 3.35Å; S137-A155 PolarHBondContact OG-O 3.38Å
138	V	65.7	Low	59.1	Low	78 Å²	78	102.4 Å²	102.4	47%	0.473	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129	168.6	-179.2	0	0	0	0	107.8	L141 L154 F198	V138-L141 HydrophobicContact CG1-CD1 3.91Å; V138-L154 HydrophobicContact CG2-CD2 4.31Å; V138-F198 HydrophobicContact CG1-CE1 4.04Å; V138-F198 HydrophobicContact CG1-CZ 3.76Å
139	K	68.6	Low	61.2	Low	108 Å²	108	94.6 Å²	94.6	47%	0.47	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	165.6	178.1	-65.6	-171.5	-178.3	178.5	0	110.4	L141 K153 A155	K139-L141 PolarHBondContact O-N 3.38Å; K139-K153 PolarHBondContact N-O 3.21Å; K139-K153 PolarHBondContact O-N 2.83Å; K139-A155 HydrophobicContact CD-CB 3.65Å; K139-A155 HydrophobicContact CG-CB 4.01Å
140	D	73.7	Confident	63.1	Low	119 Å²	119	89.2 Å²	89.2	64%	0.636	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.2	30.2	168.4	-44.6	-38.6	0	0	0	113.3	N142 K153	D140-N142 PolarHBondContact O-N 3.24Å; D140-K153 HydrophobicContact CB-CB 4.45Å
141	L	71.9	Confident	64.9	Low	78 Å²	78	85.3 Å²	85.3	41%	0.408	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	116.7	-177.7	-165.3	87.9	0	0	0	109.4	V138 K139 V150 T151 F198 I330	V138-L141 HydrophobicContact CG1-CD1 3.91Å; K139-L141 PolarHBondContact O-N 3.38Å; L141-V150 HydrophobicContact CD1-CG1 3.88Å; L141-V150 HydrophobicContact CG-CG1 4.23Å; L141-T151 CarbonylContact C-O 3.19Å; L141-T151 VanDerWaalsContact CA-O 3.3Å; L141-T151 WeakPolarHBondContact CA-O 3.42Å; L141-F198 HydrophobicContact CD1-CE2 4Å; L141-F198 HydrophobicContact CD1-CZ 3.79Å; L141-I330 HydrophobicContact CD1-CG2 4.48Å; L141-I330 HydrophobicContact CD2-CG2 3.65Å
142	N	74.3	Confident	66.9	Low	95 Å²	95	76.8 Å²	76.8	51%	0.508	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.4	-177.2	-179	62.7	0	0	0	110.3	D140 T151	D140-N142 PolarHBondContact O-N 3.24Å; N142-T151 PolarHBondContact N-O 2.87Å; N142-T151 PolarHBondContact O-N 3.12Å; N142-T151 PolarHBondContact O-OG1 3.15Å
143	F	76.4	Confident	68.4	Low	116 Å²	116	72.5 Å²	72.5	51%	0.509	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.3	171.8	170.4	-114.8	0	0	0	108.8	A145 V150 A202	F143-A145 HydrophobicContact CE1-CB 3.92Å; F143-A145 HydrophobicContact CZ-CB 4.43Å; F143-V150 HydrophobicContact CD2-CG2 4.2Å; F143-A202 HydrophobicContact CD2-CB 4.36Å; F143-A202 HydrophobicContact CE2-CB 3.82Å
144	D	74.2	Confident	69.5	Low	61 Å²	61	63.3 Å²	63.3	33%	0.326	36%	0.358	S	S	.	.			trans	-89.6	109.4	172.4	177.3	6.4	0	0	0	109.6	D146 S147 G148 M149	D144-D146 VanDerWaalsContact C-N 3.29Å; D144-D146 PolarHBondContact O-N 2.95Å; D144-D146 PolarHBondContact OD1-N 3.21Å; D144-S147 WeakPolarHBondContact CB-OG 3.36Å; D144-S147 PolarHBondContact OD1-N 2.93Å; D144-S147 VanDerWaalsContact OD2-CB 3.27Å; D144-S147 WeakPolarHBondContact OD2-CB 3.42Å; D144-S147 PolarHBondContact OD2-OG 3.09Å; D144-G148 WeakPolarHBondContact O-CA 3.36Å; D144-G148 PolarHBondContact O-N 3.21Å; D144-M149 PolarHBondContact N-O 3.06Å; D144-M149 PolarHBondContact O-N 3.47Å
145	A	67	Low	70.3	Confident	77 Å²	77	61.9 Å²	61.9	64%	0.636	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-19.3	-179.1	0	0	0	0	0	113.8	F143	F143-A145 HydrophobicContact CE1-CB 3.92Å; F143-A145 HydrophobicContact CZ-CB 4.43Å
146	D	71.2	Confident	70.8	Confident	166 Å²	166	61.9 Å²	61.9	89%	0.888	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-29.3	179.3	-71.8	-28.4	0	0	0	111.9	D144	D144-D146 VanDerWaalsContact C-N 3.29Å; D144-D146 PolarHBondContact O-N 2.95Å; D144-D146 PolarHBondContact OD1-N 3.21Å
147	S	73.9	Confident	70.9	Confident	64 Å²	64	63.9 Å²	63.9	45%	0.448	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-11.1	175.6	69.7	0	0	0	0	115.1	D144 M149	D144-S147 WeakPolarHBondContact CB-OG 3.36Å; D144-S147 PolarHBondContact OD1-N 2.93Å; D144-S147 VanDerWaalsContact OD2-CB 3.27Å; D144-S147 WeakPolarHBondContact OD2-CB 3.42Å; D144-S147 PolarHBondContact OD2-OG 3.09Å; S147-M149 PolarHBondContact O-N 2.9Å; S147-M149 WeakPolarHBondContact OG-CB 3.44Å; S147-M149 WeakPolarHBondContact OG-CG 3.38Å
148	G	72.5	Confident	70.8	Confident	25 Å²	25	65.9 Å²	65.9	26%	0.258	37%	0.374	S	S	.	.			trans	73	5.9	-175	0	0	0	0	0	114.3	D144 A202	D144-G148 WeakPolarHBondContact O-CA 3.36Å; D144-G148 PolarHBondContact O-N 3.21Å; G148-A202 WeakPolarHBondContact O-CB 3.26Å; G148-A202 PolarHBondContact O-N 2.87Å
149	M	76.7	Confident	70.3	Confident	26 Å²	26	67.5 Å²	67.5	13%	0.128	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	135.6	-173.1	-62.1	-63.5	-72.2	0	0	112.3	D144 S147 L187	D144-M149 PolarHBondContact N-O 3.06Å; D144-M149 PolarHBondContact O-N 3.47Å; S147-M149 PolarHBondContact O-N 2.9Å; S147-M149 WeakPolarHBondContact OG-CB 3.44Å; S147-M149 WeakPolarHBondContact OG-CG 3.38Å; M149-L187 HydrophobicContact SD-CD1 4.27Å
150	V	73.9	Confident	69.5	Low	2 Å²	2	65.6 Å²	65.6	1%	0.012	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	116.3	162.4	-178.1	0	0	0	0	107.4	L141 F143 S199 F200 A202 L205	L141-V150 HydrophobicContact CD1-CG1 3.88Å; L141-V150 HydrophobicContact CG-CG1 4.23Å; F143-V150 HydrophobicContact CD2-CG2 4.2Å; V150-S199 WeakPolarHBondContact O-CA 3.44Å; V150-F200 HydrophobicContact CB-CD2 4.02Å; V150-F200 HydrophobicContact CB-CE2 3.74Å; V150-F200 HydrophobicContact CB-CZ 4.09Å; V150-F200 HydrophobicContact CG1-CE1 4.4Å; V150-F200 HydrophobicContact CG1-CE2 3.94Å; V150-F200 HydrophobicContact CG1-CZ 3.81Å; V150-F200 HydrophobicContact CG2-CD2 4.49Å; V150-F200 HydrophobicContact CG2-CE2 4.11Å; V150-F200 PolarHBondContact N-O 3.12Å; V150-F200 PolarHBondContact O-N 3.38Å; V150-A202 HydrophobicContact CG2-CB 4.29Å; V150-L205 HydrophobicContact CG1-CD1 4.46Å; V150-L205 HydrophobicContact CG2-CD1 3.57Å; V150-L205 HydrophobicContact CG2-CG 3.96Å
151	T	81	Confident	68.1	Low	50 Å²	50	69.1 Å²	69.1	31%	0.307	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	159.6	173.1	58.6	0	0	0	0	110.6	L141 N142 F198	L141-T151 CarbonylContact C-O 3.19Å; L141-T151 VanDerWaalsContact CA-O 3.3Å; L141-T151 WeakPolarHBondContact CA-O 3.42Å; N142-T151 PolarHBondContact N-O 2.87Å; N142-T151 PolarHBondContact O-N 3.12Å; N142-T151 PolarHBondContact O-OG1 3.15Å; T151-F198 VanDerWaalsContact CA-O 3.31Å; T151-F198 WeakPolarHBondContact CA-O 3.46Å
152	G	79.6	Confident	66.6	Low	6 Å²	6	69.6 Å²	69.6	6%	0.062	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179	-176.4	174.9	0	0	0	0	0	112	E197 F198	G152-E197 CarbonylContact O-C 3.58Å; G152-E197 VanDerWaalsContact O-CA 3.26Å; G152-E197 WeakPolarHBondContact O-CA 3.47Å; G152-F198 PolarHBondContact N-O 2.93Å; G152-F198 VanDerWaalsContact N-O 3.14Å; G152-F198 WeakPolarHBondContact O-CD1 3.31Å; G152-F198 PolarHBondContact O-N 3.42Å
153	K	76.5	Confident	64.8	Low	61 Å²	61	70 Å²	70	27%	0.265	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	131.8	-174.2	-163	178.4	-172.5	93.9	0	112.2	K139 D140 T195 G196 E197	K139-K153 PolarHBondContact N-O 3.21Å; K139-K153 PolarHBondContact O-N 2.83Å; D140-K153 HydrophobicContact CB-CB 4.45Å; K153-T195 VanDerWaalsContact CE-O 3.24Å; K153-T195 WeakPolarHBondContact CE-O 3.27Å; K153-T195 PolarHBondContact NZ-O 3.25Å; K153-G196 WeakPolarHBondContact CA-O 3.39Å; K153-E197 HydrophobicContact CG-CG 4.28Å; K153-E197 IonicContact NZ-OE1 2.66Å; K153-E197 PolarHBondContact NZ-OE1 2.92Å
154	L	67.9	Low	62.8	Low	17 Å²	17	72.2 Å²	72.2	9%	0.089	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	119.9	173.7	-66.3	170.7	0	0	0	110.1	I136 V138 Y156 P171 G196 F198	I136-L154 HydrophobicContact CG2-CD2 3.92Å; V138-L154 HydrophobicContact CG2-CD2 4.31Å; L154-Y156 HydrophobicContact CB-CE2 4.45Å; L154-P171 HydrophobicContact CD1-CB 3.61Å; L154-P171 HydrophobicContact CD1-CG 3.8Å; L154-G196 PolarHBondContact N-O 2.9Å; L154-F198 HydrophobicContact CD2-CD1 4.46Å; L154-F198 HydrophobicContact CD2-CE1 4.26Å; L154-F198 HydrophobicContact CG-CD1 3.98Å; L154-F198 HydrophobicContact CG-CE1 4.19Å
155	A	65	Low	60.8	Low	20 Å²	20	77.7 Å²	77.7	17%	0.165	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.4	-179.3	0	0	0	0	0	111.4	S137 K139	S137-A155 PolarHBondContact N-O 3.45Å; S137-A155 PolarHBondContact O-N 2.98Å; S137-A155 WeakPolarHBondContact OG-CB 3.35Å; S137-A155 PolarHBondContact OG-O 3.38Å; K139-A155 HydrophobicContact CD-CB 3.65Å; K139-A155 HydrophobicContact CG-CB 4.01Å
156	Y	62.8	Low	59.2	Low	63 Å²	63	78 Å²	78	25%	0.247	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	144.4	-176.1	-53	-88.5	0	0	0	112.1	I136 L154 P158 L215	I136-Y156 HydrophobicContact CD1-CD1 4.32Å; I136-Y156 HydrophobicContact CD1-CE1 4.01Å; I136-Y156 HydrophobicContact CG1-CD1 3.95Å; I136-Y156 HydrophobicContact CG1-CE1 4.11Å; L154-Y156 HydrophobicContact CB-CE2 4.45Å; Y156-P158 CarbonylContact C-O 3.52Å; Y156-L215 HydrophobicContact CE1-CD2 4.06Å
157	S	59.4	Low	57.3	Low	66 Å²	66	72.4 Å²	72.4	46%	0.462	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	120.3	171.6	178.2	0	0	0	0	110.4	S135	S135-S157 PolarHBondContact N-O 3.39Å; S135-S157 PolarHBondContact O-N 3.35Å; S135-S157 WeakPolarHBondContact OG-CB 3.44Å; S135-S157 PolarHBondContact OG-O 3.05Å; S135-S157 VanDerWaalsContact OG-O 3.13Å
158	P	54.9	Low	55.7	Low	86 Å²	86	72.3 Å²	72.3	56%	0.558	41%	0.407	S	S	*	.	S	Bend	cis	-64.7	163.8	-4.9	30	-36.2	0	0	0	112.7	Y156	Y156-P158 CarbonylContact C-O 3.52Å
159	P	55.5	Low	54.4	Low	111 Å²	111	73 Å²	73	72%	0.721	41%	0.406	S	S	*	.			trans	-60.2	137.6	172.2	-20.7	33.3	0	0	0	111.1	E161	P159-E161 PolarHBondContact O-N 2.89Å
160	V	50.5	Low	53.1	Low	69 Å²	69	73.3 Å²	73.3	42%	0.418	41%	0.407	S	S	.	.			trans	-85.5	109.9	175.3	-178.2	0	0	0	0	108.4	T162	V160-T162 PolarHBondContact O-N 3.44Å
161	E	45.9	Very low	52	Low	193 Å²	193	73.5 Å²	73.5	90%	0.902	41%	0.408	S	S	*	.			trans	-68.5	119.2	171	-69.1	-172.4	138.1	0	0	109.7	P159 D163	P159-E161 PolarHBondContact O-N 2.89Å; E161-D163 PolarHBondContact O-N 3.3Å
162	T	39	Very low	50.8	Low	87 Å²	87	73.3 Å²	73.3	53%	0.534	41%	0.407	S	S	.	.			trans	-89.1	99.8	-179.9	45	0	0	0	0	110.5	V160 M164	V160-T162 PolarHBondContact O-N 3.44Å; T162-M164 WeakPolarHBondContact O-CG 3.41Å; T162-M164 PolarHBondContact O-N 3.45Å
163	D	36.9	Very low	49.8	Very low	105 Å²	105	73.8 Å²	73.8	56%	0.561	41%	0.408	S	S	*	.			trans	-69.8	99.1	164.3	-171.7	-2.6	0	0	0	109.1	E161 E165 V167	E161-D163 PolarHBondContact O-N 3.3Å; D163-E165 PolarHBondContact O-N 3.31Å; D163-V167 PolarHBondContact O-N 2.99Å
164	M	34	Very low	48.9	Very low	162 Å²	162	75.1 Å²	75.1	80%	0.798	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-3.5	-159.9	-71.5	-169.6	-77.7	0	0	115	T162	T162-M164 WeakPolarHBondContact O-CG 3.41Å; T162-M164 PolarHBondContact O-N 3.45Å
165	E	32	Very low	48.5	Very low	175 Å²	175	76.7 Å²	76.7	82%	0.818	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-20.8	-175.4	-57.4	-162.9	151.8	0	0	114	D163	D163-E165 PolarHBondContact O-N 3.31Å
166	T	34.5	Very low	48	Very low	85 Å²	85	77.7 Å²	77.7	52%	0.521	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.9	-25	-172.2	62.6	0	0	0	0	116.3
167	V	31.1	Very low	47.8	Very low	48 Å²	48	77.8 Å²	77.8	29%	0.291	44%	0.443	S	S	.	.			trans	-145.7	106.5	-177.1	-173.6	0	0	0	0	111.3	D163 V169 K217	D163-V167 PolarHBondContact O-N 2.99Å; V167-V169 HydrophobicContact CG1-CG2 4.2Å; V167-K217 HydrophobicContact CG1-CD 4.08Å; V167-K217 HydrophobicContact CG1-CG 4.15Å
168	S	39.5	Very low	48	Very low	61 Å²	61	76.1 Å²	76.1	43%	0.427	43%	0.431	S	S	.	.			trans	-97.1	133.2	162.8	27.3	0	0	0	0	109.4	K217	S168-K217 WeakPolarHBondContact O-CA 3.49Å
169	V	45.9	Very low	48.6	Very low	40 Å²	40	77 Å²	77	24%	0.242	43%	0.428	C	S	.	.			trans	-110.4	121	172.2	-176.1	0	0	0	0	108.6	V167 L215 N216	V167-V169 HydrophobicContact CG1-CG2 4.2Å; V169-L215 HydrophobicContact CG1-CB 4.14Å; V169-L215 HydrophobicContact CG1-CD2 4.1Å; V169-N216 CarbonylContact C-O 3.52Å; V169-N216 WeakPolarHBondContact CA-O 3.18Å
170	F	48.7	Very low	48.6	Very low	33 Å²	33	74.2 Å²	74.2	15%	0.145	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143	-179.2	64.1	-81.3	0	0	0	114.2	T172 P193 N216 N317	F170-T172 HydrophobicContact CD2-CG2 4.15Å; F170-T172 HydrophobicContact CE2-CG2 4.06Å; F170-P193 HydrophobicContact CB-CB 3.46Å; F170-P193 VanDerWaalsContact CB-CB 3.46Å; F170-P193 HydrophobicContact CD2-CB 3.99Å; F170-P193 HydrophobicContact CG-CB 3.88Å; F170-N216 HydrophobicContact CD1-CB 3.88Å; F170-N216 WeakPolarHBondContact CD1-O 3.46Å; F170-N216 HydrophobicContact CD2-CB 4.15Å; F170-N216 HydrophobicContact CE1-CB 3.71Å; F170-N216 HydrophobicContact CE2-CB 4Å; F170-N216 HydrophobicContact CG-CB 4.11Å; F170-N216 HydrophobicContact CZ-CB 3.8Å; F170-N216 PolarHBondContact N-O 3.48Å; F170-N216 WeakPolarHBondContact O-CB 3.17Å; F170-N216 PolarHBondContact O-N 3.4Å; F170-N216 PolarHBondContact O-ND2 3.23Å; F170-N317 WeakPolarHBondContact CE1-OD1 3.37Å; F170-N317 VanDerWaalsContact CZ-ND2 3.33Å; F170-N317 WeakPolarHBondContact CZ-ND2 3.14Å; F170-N317 WeakPolarHBondContact CZ-OD1 3.5Å
171	P	52	Low	48.4	Very low	5 Å²	5	75.2 Å²	75.2	3%	0.032	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	147	172.9	29.8	-34	0	0	0	113	L154 V191 Y214 L215	L154-P171 HydrophobicContact CD1-CB 3.61Å; L154-P171 HydrophobicContact CD1-CG 3.8Å; P171-V191 HydrophobicContact CB-CG1 4.19Å; P171-V191 HydrophobicContact CG-CG1 3.64Å; P171-Y214 CarbonylContact C-O 3.52Å; P171-Y214 VanDerWaalsContact CA-O 3.27Å; P171-Y214 WeakPolarHBondContact CA-O 3.16Å; P171-L215 HydrophobicContact CB-CD2 4.4Å
172	T	54.4	Low	48.5	Very low	46 Å²	46	67.7 Å²	67.7	28%	0.282	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	148.3	162.9	49.8	0	0	0	0	110	F170 V213 Y214 N216	F170-T172 HydrophobicContact CD2-CG2 4.15Å; F170-T172 HydrophobicContact CE2-CG2 4.06Å; T172-V213 CarbonylContact O-C 3.55Å; T172-V213 VanDerWaalsContact O-CA 3.28Å; T172-V213 WeakPolarHBondContact O-CA 3.46Å; T172-Y214 PolarHBondContact N-O 2.71Å; T172-Y214 PolarHBondContact O-N 2.83Å; T172-N216 WeakPolarHBondContact CG2-ND2 3.49Å; T172-N216 PolarHBondContact OG1-ND2 3.07Å
173	I	59.3	Low	48.2	Very low	16 Å²	16	65.9 Å²	65.9	8%	0.082	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.1	-176.4	-60.3	169.6	0	0	0	110.1	P189 V191 F198 L211 R212 V213	I173-P189 HydrophobicContact CB-CB 3.67Å; I173-P189 HydrophobicContact CB-CG 4.44Å; I173-P189 HydrophobicContact CG2-CB 3.6Å; I173-P189 HydrophobicContact CG2-CG 3.9Å; I173-V191 HydrophobicContact CB-CG2 4.24Å; I173-V191 HydrophobicContact CD1-CG2 3.76Å; I173-V191 HydrophobicContact CG1-CG2 3.79Å; I173-F198 HydrophobicContact CD1-CB 4.11Å; I173-F198 HydrophobicContact CD1-CG 4.32Å; I173-L211 HydrophobicContact CG2-CB 4.1Å; I173-L211 HydrophobicContact CG2-CD1 4.35Å; I173-L211 HydrophobicContact CG2-CD2 4.15Å; I173-L211 HydrophobicContact CG2-CG 4.43Å; I173-R212 CarbonylContact C-O 3.47Å; I173-R212 VanDerWaalsContact CA-O 3.29Å; I173-R212 WeakPolarHBondContact CA-O 3.3Å; I173-V213 HydrophobicContact CG1-CG1 4.08Å; I173-V213 HydrophobicContact CG1-CG2 4.12Å
174	Q	57.4	Low	48.3	Very low	89 Å²	89	67 Å²	67	42%	0.416	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	153.5	175.4	-71.8	179.2	-17.5	0	0	110.6	L211 R212 Y214	Q174-L211 CarbonylContact O-C 3.51Å; Q174-L211 WeakPolarHBondContact O-CA 3.35Å; Q174-R212 PolarHBondContact N-O 3.48Å; Q174-R212 PolarHBondContact O-N 3.35Å; Q174-Y214 HydrophobicContact CB-CE2 4.12Å; Q174-Y214 HydrophobicContact CG-CE2 3.96Å; Q174-Y214 PolarHBondContact OE1-OH 2.86Å
175	S	59.1	Low	48.8	Very low	51 Å²	51	71.5 Å²	71.5	36%	0.357	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	143.9	163.7	43.5	0	0	0	0	111.2
176	S	54.7	Low	49.8	Very low	40 Å²	40	64.8 Å²	64.8	28%	0.28	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	-37.9	-177.7	65.4	0	0	0	0	114.4	T210 N324	S176-T210 PolarHBondContact N-O 3Å; S176-T210 WeakPolarHBondContact OG-CB 3.37Å; S176-T210 WeakPolarHBondContact OG-CG2 3.45Å; S176-T210 PolarHBondContact OG-O 3.23Å; S176-T210 VanDerWaalsContact OG-O 3.11Å; S176-N324 PolarHBondContact OG-OD1 3.1Å
177	S	59.5	Low	50.8	Low	66 Å²	66	66.1 Å²	66.1	46%	0.462	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	135.5	167.6	68.5	0	0	0	0	109.9	T210	S177-T210 WeakPolarHBondContact O-CB 3.31Å; S177-T210 PolarHBondContact O-N 3.45Å; S177-T210 PolarHBondContact O-OG1 2.92Å; S177-T210 WeakPolarHBondContact OG-CB 3.36Å; S177-T210 PolarHBondContact OG-OG1 3.28Å
178	C	63.5	Low	52	Low	31 Å²	31	70.4 Å²	70.4	21%	0.209	36%	0.364	C	S	.	.			trans	-135.9	139.6	-173.8	-68.2	0	0	0	0	105.3	R33 V180 F182 C209	R33-C178 HydrophobicContact CB-CB 3.88Å; R33-C178 HydrophobicContact CG-CB 3.76Å; R33-C178 VanDerWaalsContact NH1-CA 3.28Å; C178-V180 CarbonylContact C-O 3.44Å; C178-V180 VanDerWaalsContact C-O 3.32Å; C178-V180 PolarHBondContact O-N 3.24Å; C178-F182 HydrophobicContact CB-CD2 4.48Å; C178-F182 HydrophobicContact CB-CE2 4.17Å; C178-C209 WeakPolarHBondContact CB-SG 3.39Å; C178-C209 WeakPolarHBondContact SG-CB 3.37Å; C178-C209 CovalentContact SG-SG 2.09Å; C178-C209 PolarHBondContact SG-SG 3.16Å
179	E	67.5	Low	53.3	Low	105 Å²	105	68 Å²	68	49%	0.491	35%	0.347	S	S	.	.	S	Bend	trans	-58	-21.7	-159.2	-107.2	159.4	-177.4	0	0	112.2	R33 H207 R208	R33-E179 IonicContact CZ-OE2 2.79Å; R33-E179 VanDerWaalsContact NE-N 3.12Å; R33-E179 IonicContact NH2-OE1 3.52Å; R33-E179 IonicContact NH2-OE2 3.03Å; R33-E179 PolarHBondContact NH2-OE2 2.85Å; E179-H207 IonicContact OE2-CE1 3.73Å; E179-H207 IonicContact OE2-ND1 2.7Å; E179-H207 PolarHBondContact OE2-ND1 3.13Å; E179-H207 VanDerWaalsContact OE2-O 3.09Å; E179-R208 IonicContact OE1-CZ 3.97Å; E179-R208 IonicContact OE1-NH1 2.88Å; E179-R208 PolarHBondContact OE1-NH1 3.4Å; E179-R208 IonicContact OE2-NH1 2.59Å; E179-R208 PolarHBondContact OE2-NH1 3.04Å
180	V	55.4	Low	54.3	Low	51 Å²	51	71.3 Å²	71.3	31%	0.309	36%	0.36	S	S	.	.	S	Bend	trans	-162.7	-171.1	177.1	46.5	0	0	0	0	105.4	R33 M34 C178	R33-V180 CarbonylContact O-C 3.57Å; R33-V180 VanDerWaalsContact O-O 3.08Å; M34-V180 HydrophobicContact CB-CG1 3.55Å; M34-V180 HydrophobicContact CE-CG2 3.39Å; M34-V180 HydrophobicContact CG-CB 4.45Å; M34-V180 HydrophobicContact CG-CG1 3.56Å; M34-V180 HydrophobicContact CG-CG2 4.07Å; C178-V180 CarbonylContact C-O 3.44Å; C178-V180 VanDerWaalsContact C-O 3.32Å; C178-V180 PolarHBondContact O-N 3.24Å
181	V	46.9	Very low	55.2	Low	90 Å²	90	71 Å²	71	55%	0.545	36%	0.361	S	S	.	.			trans	-117.8	125.9	-151.1	-172.4	0	0	0	0	116.6	R33 V35 H183	R33-V181 CarbonylContact O-C 3.57Å; R33-V181 WeakPolarHBondContact O-CA 2.95Å; R33-V181 PolarHBondContact O-N 3.11Å; V35-V181 WeakPolarHBondContact CB-O 3.38Å; V35-V181 VanDerWaalsContact CG2-O 3.3Å; V35-V181 WeakPolarHBondContact CG2-O 3.33Å; V35-V181 PolarHBondContact N-O 2.88Å; V181-H183 PolarHBondContact O-CE1 3.3Å
182	F	46.4	Very low	55.9	Low	36 Å²	36	73.9 Å²	73.9	16%	0.158	38%	0.376	C	S	.	.			trans	-65.3	143.1	173.7	-70.2	-83.7	0	0	0	114.4	M27 P32 R33 C178 I186 Y204 C209	M27-F182 HydrophobicContact CE-CD1 4.37Å; M27-F182 HydrophobicContact CE-CE1 4.36Å; P32-F182 HydrophobicContact CB-CE1 3.96Å; P32-F182 WeakPolarHBondContact O-CD1 3.45Å; P32-F182 VanDerWaalsContact O-CE1 3.3Å; P32-F182 WeakPolarHBondContact O-CE1 3.5Å; R33-F182 HydrophobicContact CB-CD2 4.39Å; R33-F182 HydrophobicContact CB-CE2 4.06Å; R33-F182 HydrophobicContact CB-CZ 4.23Å; R33-F182 HydrophobicContact CG-CE2 3.84Å; R33-F182 HydrophobicContact CG-CZ 3.83Å; R33-F182 PolarHBondContact O-N 3.04Å; C178-F182 HydrophobicContact CB-CD2 4.48Å; C178-F182 HydrophobicContact CB-CE2 4.17Å; F182-I186 HydrophobicContact CB-CD1 4.34Å; F182-I186 HydrophobicContact CD1-CD1 3.46Å; F182-I186 VanDerWaalsContact CD1-CD1 3.46Å; F182-I186 HydrophobicContact CD1-CG1 3.56Å; F182-I186 HydrophobicContact CD2-CD1 3.67Å; F182-I186 HydrophobicContact CE1-CD1 3.35Å; F182-I186 HydrophobicContact CE1-CG1 3.63Å; F182-I186 HydrophobicContact CE2-CD1 3.56Å; F182-I186 HydrophobicContact CG-CD1 3.61Å; F182-I186 HydrophobicContact CG-CG1 4.06Å; F182-I186 HydrophobicContact CZ-CD1 3.4Å; F182-I186 VanDerWaalsContact CZ-CD1 3.4Å; F182-I186 HydrophobicContact CZ-CG1 4.21Å; F182-Y204 HydrophobicContact CZ-CD1 4.5Å; F182-Y204 HydrophobicContact CZ-CE1 4.42Å; F182-C209 VanDerWaalsContact CE2-SG 3.56Å
183	H	33.5	Very low	55.7	Low	49 Å²	49	75.3 Å²	75.3	23%	0.227	39%	0.386	C	S	.	.			trans	-139	-8	171.4	-40.3	-41.6	0	0	0	116.3	F25 V35 I37 V181	F25-H183 HydrophobicContact CB-CB 3.65Å; F25-H183 HydrophobicContact CD1-CB 3.92Å; F25-H183 AromaticContact CD1-CD2 2.96Å; F25-H183 WeakPolarHBondContact CD1-CD2 3.16Å; F25-H183 AromaticContact CD1-CG 3.52Å; F25-H183 AromaticContact CD1-NE2 3.55Å; F25-H183 HydrophobicContact CD2-CB 4Å; F25-H183 HydrophobicContact CE1-CB 4.34Å; F25-H183 AromaticContact CE1-CD2 3.52Å; F25-H183 AromaticContact CE1-CG 3.81Å; F25-H183 AromaticContact CE1-NE2 3.74Å; F25-H183 HydrophobicContact CE2-CB 4.48Å; F25-H183 HydrophobicContact CG-CB 3.66Å; F25-H183 AromaticContact CG-CD2 3.53Å; F25-H183 AromaticContact CG-CG 3.82Å; V35-H183 HydrophobicContact CB-CB 4.15Å; V35-H183 WeakPolarHBondContact CB-CD2 3.17Å; V35-H183 HydrophobicContact CG1-CB 3.7Å; V35-H183 WeakPolarHBondContact CG1-CD2 3.24Å; V35-H183 PolarHBondContact O-NE2 2.96Å; I37-H183 VanDerWaalsContact CG1-NE2 3.29Å; I37-H183 WeakPolarHBondContact CG1-NE2 3.2Å; V181-H183 PolarHBondContact O-CE1 3.3Å
184	E	39.6	Very low	55.5	Low	127 Å²	127	83.9 Å²	83.9	59%	0.593	42%	0.422	S	S	*	.	S	Bend	trans	-92.2	155.9	160.3	-62.5	-160.5	142.6	0	0	110	M27 I186	M27-E184 HydrophobicContact SD-CB 3.8Å; M27-E184 HydrophobicContact SD-CG 4.25Å; E184-I186 PolarHBondContact O-N 2.95Å
185	W	44.3	Very low	56	Low	257 Å²	257	82.1 Å²	82.1	97%	0.973	42%	0.418	S	S	*	.			trans	-77.4	87.8	-177.4	-71.3	80.7	0	0	0	111.1
186	I	53.5	Low	56.4	Low	34 Å²	34	80 Å²	80	17%	0.174	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-52.6	142	161.8	-13.2	154	0	0	0	109.3	F182 E184 E188 D203 Y204	F182-I186 HydrophobicContact CB-CD1 4.34Å; F182-I186 HydrophobicContact CD1-CD1 3.46Å; F182-I186 VanDerWaalsContact CD1-CD1 3.46Å; F182-I186 HydrophobicContact CD1-CG1 3.56Å; F182-I186 HydrophobicContact CD2-CD1 3.67Å; F182-I186 HydrophobicContact CE1-CD1 3.35Å; F182-I186 HydrophobicContact CE1-CG1 3.63Å; F182-I186 HydrophobicContact CE2-CD1 3.56Å; F182-I186 HydrophobicContact CG-CD1 3.61Å; F182-I186 HydrophobicContact CG-CG1 4.06Å; F182-I186 HydrophobicContact CZ-CD1 3.4Å; F182-I186 VanDerWaalsContact CZ-CD1 3.4Å; F182-I186 HydrophobicContact CZ-CG1 4.21Å; E184-I186 PolarHBondContact O-N 2.95Å; I186-E188 PolarHBondContact O-N 3.16Å; I186-D203 HydrophobicContact CG2-CB 3.95Å; I186-Y204 HydrophobicContact CB-CE2 4.44Å; I186-Y204 HydrophobicContact CD1-CE1 3.82Å; I186-Y204 VanDerWaalsContact CD1-OH 3.25Å; I186-Y204 WeakPolarHBondContact CD1-OH 3.18Å; I186-Y204 HydrophobicContact CG2-CE2 3.74Å
187	L	54.7	Low	57.3	Low	113 Å²	113	82.4 Å²	82.4	59%	0.592	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-61.6	116.9	164.3	-79.5	161.2	0	0	0	109.5	M149 Y204	M149-L187 HydrophobicContact SD-CD1 4.27Å; L187-Y204 PolarHBondContact O-OH 3.43Å
188	E	56.6	Low	58.2	Low	138 Å²	138	80 Å²	80	65%	0.645	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-54.8	137.3	172.8	-75.5	-162	144.1	0	0	110	I186 Q190	I186-E188 PolarHBondContact O-N 3.16Å; E188-Q190 PolarHBondContact O-N 2.98Å; E188-Q190 PolarHBondContact O-NE2 2.91Å
189	P	65.8	Low	58.8	Low	11 Å²	11	80 Å²	80	7%	0.071	39%	0.393	C	S	.	.			trans	-53.1	107.8	179.7	-32.4	40.4	0	0	0	112.9	I173 S199 F200 Y204	I173-P189 HydrophobicContact CB-CB 3.67Å; I173-P189 HydrophobicContact CB-CG 4.44Å; I173-P189 HydrophobicContact CG2-CB 3.6Å; I173-P189 HydrophobicContact CG2-CG 3.9Å; P189-S199 CarbonylContact C-O 3.46Å; P189-S199 WeakPolarHBondContact CA-O 3.41Å; P189-F200 HydrophobicContact CB-CB 3.88Å; P189-F200 HydrophobicContact CG-CB 3.9Å; P189-Y204 WeakPolarHBondContact CD-OH 3.25Å; P189-Y204 HydrophobicContact CG-CD2 4.34Å; P189-Y204 HydrophobicContact CG-CE1 4.44Å; P189-Y204 HydrophobicContact CG-CE2 3.84Å
190	Q	66.5	Low	59.2	Low	110 Å²	110	75.2 Å²	75.2	51%	0.514	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	142.1	178.1	-60.7	-57.2	-68.7	0	0	109.6	E188 F198 S199	E188-Q190 PolarHBondContact O-N 2.98Å; E188-Q190 PolarHBondContact O-NE2 2.91Å; Q190-F198 CarbonylContact O-C 3.58Å; Q190-F198 WeakPolarHBondContact O-CA 3.43Å; Q190-F198 WeakPolarHBondContact O-CB 3.32Å; Q190-S199 PolarHBondContact N-O 3.17Å; Q190-S199 PolarHBondContact O-N 3.02Å
191	V	68.6	Low	60.3	Low	26 Å²	26	73.4 Å²	73.4	16%	0.158	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	125.4	174	-161.4	0	0	0	0	109.3	P171 I173 P193 E197 F198	P171-V191 HydrophobicContact CB-CG1 4.19Å; P171-V191 HydrophobicContact CG-CG1 3.64Å; I173-V191 HydrophobicContact CB-CG2 4.24Å; I173-V191 HydrophobicContact CD1-CG2 3.76Å; I173-V191 HydrophobicContact CG1-CG2 3.79Å; V191-P193 WeakPolarHBondContact O-CD 3.21Å; V191-E197 CarbonylContact C-O 3.32Å; V191-E197 WeakPolarHBondContact CA-O 3.44Å; V191-F198 HydrophobicContact CB-CB 4.49Å; V191-F198 HydrophobicContact CG1-CB 4.18Å; V191-F198 HydrophobicContact CG2-CB 4.13Å
192	D	66.4	Low	61.6	Low	66 Å²	66	70.2 Å²	70.2	35%	0.353	34%	0.343	S	S	.	.			trans	-75.6	117.4	173.1	-175.9	-57	0	0	0	109.2	K194 T195 G196 E197	D192-K194 PolarHBondContact O-N 2.99Å; D192-K194 VanDerWaalsContact O-N 3.16Å; D192-K194 WeakPolarHBondContact OD1-CA 3.12Å; D192-K194 VanDerWaalsContact OD1-CB 3.31Å; D192-K194 WeakPolarHBondContact OD1-CB 3.11Å; D192-K194 PolarHBondContact OD1-N 3.44Å; D192-T195 WeakPolarHBondContact CB-OG1 3.45Å; D192-T195 PolarHBondContact OD1-N 3.02Å; D192-G196 PolarHBondContact O-N 3.38Å; D192-E197 PolarHBondContact N-O 3.29Å
193	P	50.6	Low	62.9	Low	76 Å²	76	70.6 Å²	70.6	49%	0.494	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-2.5	-174.7	32	-37.1	0	0	0	113.9	F170 V191	F170-P193 HydrophobicContact CB-CB 3.46Å; F170-P193 VanDerWaalsContact CB-CB 3.46Å; F170-P193 HydrophobicContact CD2-CB 3.99Å; F170-P193 HydrophobicContact CG-CB 3.88Å; V191-P193 WeakPolarHBondContact O-CD 3.21Å
194	K	55.8	Low	64.6	Low	195 Å²	195	68.4 Å²	68.4	85%	0.848	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-41.9	177.5	-58	175.4	-179.6	173.1	0	112.5	D192	D192-K194 PolarHBondContact O-N 2.99Å; D192-K194 VanDerWaalsContact O-N 3.16Å; D192-K194 WeakPolarHBondContact OD1-CA 3.12Å; D192-K194 VanDerWaalsContact OD1-CB 3.31Å; D192-K194 WeakPolarHBondContact OD1-CB 3.11Å; D192-K194 PolarHBondContact OD1-N 3.44Å
195	T	67.8	Low	66.1	Low	52 Å²	52	64.2 Å²	64.2	32%	0.319	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-19.7	-175.8	71.7	0	0	0	0	113.1	K153 D192 E197	K153-T195 VanDerWaalsContact CE-O 3.24Å; K153-T195 WeakPolarHBondContact CE-O 3.27Å; K153-T195 PolarHBondContact NZ-O 3.25Å; D192-T195 WeakPolarHBondContact CB-OG1 3.45Å; D192-T195 PolarHBondContact OD1-N 3.02Å; T195-E197 VanDerWaalsContact CB-OE2 3.24Å; T195-E197 WeakPolarHBondContact CB-OE2 3.48Å; T195-E197 PolarHBondContact O-N 2.69Å; T195-E197 WeakPolarHBondContact OG1-CB 3.33Å; T195-E197 PolarHBondContact OG1-N 2.81Å; T195-E197 PolarHBondContact OG1-OE2 3.35Å
196	G	66.3	Low	67.3	Low	8 Å²	8	55.6 Å²	55.6	8%	0.082	29%	0.287	C	S	.	.			trans	70.6	8.4	-172.2	0	0	0	0	0	113.7	K153 L154 D192	K153-G196 WeakPolarHBondContact CA-O 3.39Å; L154-G196 PolarHBondContact N-O 2.9Å; D192-G196 PolarHBondContact O-N 3.38Å
197	E	74.8	Confident	68.2	Low	90 Å²	90	54.1 Å²	54.1	42%	0.421	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	141.1	169.6	-76.6	128.1	-151.9	0	0	110.4	G152 K153 V191 D192 T195	G152-E197 CarbonylContact O-C 3.58Å; G152-E197 VanDerWaalsContact O-CA 3.26Å; G152-E197 WeakPolarHBondContact O-CA 3.47Å; K153-E197 HydrophobicContact CG-CG 4.28Å; K153-E197 IonicContact NZ-OE1 2.66Å; K153-E197 PolarHBondContact NZ-OE1 2.92Å; V191-E197 CarbonylContact C-O 3.32Å; V191-E197 WeakPolarHBondContact CA-O 3.44Å; D192-E197 PolarHBondContact N-O 3.29Å; T195-E197 VanDerWaalsContact CB-OE2 3.24Å; T195-E197 WeakPolarHBondContact CB-OE2 3.48Å; T195-E197 PolarHBondContact O-N 2.69Å; T195-E197 WeakPolarHBondContact OG1-CB 3.33Å; T195-E197 PolarHBondContact OG1-N 2.81Å; T195-E197 PolarHBondContact OG1-OE2 3.35Å
198	F	78.3	Confident	68.9	Low	14 Å²	14	54.6 Å²	54.6	6%	0.061	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	157.6	173.5	60.7	-97.6	0	0	0	111.1	V138 L141 T151 G152 L154 I173 Q190 V191 F200	V138-F198 HydrophobicContact CG1-CE1 4.04Å; V138-F198 HydrophobicContact CG1-CZ 3.76Å; L141-F198 HydrophobicContact CD1-CE2 4Å; L141-F198 HydrophobicContact CD1-CZ 3.79Å; T151-F198 VanDerWaalsContact CA-O 3.31Å; T151-F198 WeakPolarHBondContact CA-O 3.46Å; G152-F198 PolarHBondContact N-O 2.93Å; G152-F198 VanDerWaalsContact N-O 3.14Å; G152-F198 WeakPolarHBondContact O-CD1 3.31Å; G152-F198 PolarHBondContact O-N 3.42Å; L154-F198 HydrophobicContact CD2-CD1 4.46Å; L154-F198 HydrophobicContact CD2-CE1 4.26Å; L154-F198 HydrophobicContact CG-CD1 3.98Å; L154-F198 HydrophobicContact CG-CE1 4.19Å; I173-F198 HydrophobicContact CD1-CB 4.11Å; I173-F198 HydrophobicContact CD1-CG 4.32Å; Q190-F198 CarbonylContact O-C 3.58Å; Q190-F198 WeakPolarHBondContact O-CA 3.43Å; Q190-F198 WeakPolarHBondContact O-CB 3.32Å; V191-F198 HydrophobicContact CB-CB 4.49Å; V191-F198 HydrophobicContact CG1-CB 4.18Å; V191-F198 HydrophobicContact CG2-CB 4.13Å; F198-F200 AromaticContact CD2-CD1 3.7Å; F198-F200 HydrophobicContact CD2-CD1 3.7Å; F198-F200 AromaticContact CD2-CE1 3.66Å; F198-F200 HydrophobicContact CD2-CE1 3.66Å; F198-F200 HydrophobicContact CE2-CD1 4Å; F198-F200 AromaticContact CE2-CE1 3.46Å; F198-F200 HydrophobicContact CE2-CE1 3.46Å; F198-F200 VanDerWaalsContact CE2-CE1 3.46Å; F198-F200 HydrophobicContact CE2-CZ 4.37Å; F198-F200 HydrophobicContact CZ-CE1 4.48Å
199	S	76.6	Confident	69.4	Low	32 Å²	32	48 Å²	48	22%	0.224	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	135.2	166.4	70.3	0	0	0	0	111.3	V150 P189 Q190	V150-S199 WeakPolarHBondContact O-CA 3.44Å; P189-S199 CarbonylContact C-O 3.46Å; P189-S199 WeakPolarHBondContact CA-O 3.41Å; Q190-S199 PolarHBondContact N-O 3.17Å; Q190-S199 PolarHBondContact O-N 3.02Å
200	F	75.9	Confident	69.4	Low	5 Å²	5	48.4 Å²	48.4	2%	0.022	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	151.8	174.7	59.7	-104.1	0	0	0	110	V150 P189 F198 Y204 L205 L211 I330	V150-F200 HydrophobicContact CB-CD2 4.02Å; V150-F200 HydrophobicContact CB-CE2 3.74Å; V150-F200 HydrophobicContact CB-CZ 4.09Å; V150-F200 HydrophobicContact CG1-CE1 4.4Å; V150-F200 HydrophobicContact CG1-CE2 3.94Å; V150-F200 HydrophobicContact CG1-CZ 3.81Å; V150-F200 HydrophobicContact CG2-CD2 4.49Å; V150-F200 HydrophobicContact CG2-CE2 4.11Å; V150-F200 PolarHBondContact N-O 3.12Å; V150-F200 PolarHBondContact O-N 3.38Å; P189-F200 HydrophobicContact CB-CB 3.88Å; P189-F200 HydrophobicContact CG-CB 3.9Å; F198-F200 AromaticContact CD2-CD1 3.7Å; F198-F200 HydrophobicContact CD2-CD1 3.7Å; F198-F200 AromaticContact CD2-CE1 3.66Å; F198-F200 HydrophobicContact CD2-CE1 3.66Å; F198-F200 HydrophobicContact CE2-CD1 4Å; F198-F200 AromaticContact CE2-CE1 3.46Å; F198-F200 HydrophobicContact CE2-CE1 3.46Å; F198-F200 VanDerWaalsContact CE2-CE1 3.46Å; F198-F200 HydrophobicContact CE2-CZ 4.37Å; F198-F200 HydrophobicContact CZ-CE1 4.48Å; F200-Y204 HydrophobicContact CB-CD2 3.81Å; F200-Y204 HydrophobicContact CB-CE2 4.19Å; F200-Y204 AromaticContact CD2-CD2 3.96Å; F200-Y204 HydrophobicContact CD2-CD2 3.96Å; F200-Y204 HydrophobicContact CD2-CG 4.3Å; F200-Y204 HydrophobicContact CG-CD2 4.27Å; F200-L205 HydrophobicContact CE2-CD2 4.06Å; F200-L205 HydrophobicContact CE2-CG 4.16Å; F200-L205 HydrophobicContact CZ-CD2 4.32Å; F200-L211 HydrophobicContact CE1-CD1 4.29Å; F200-L211 HydrophobicContact CZ-CD1 4.26Å; F200-I330 HydrophobicContact CZ-CD1 4.24Å
201	S	76.7	Confident	69.4	Low	13 Å²	13	43.4 Å²	43.4	9%	0.091	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	147	178.6	179.1	0	0	0	0	111.3	D203 Y204	S201-D203 WeakPolarHBondContact CB-OD2 3.46Å; S201-D203 PolarHBondContact O-N 2.88Å; S201-D203 WeakPolarHBondContact OG-CB 3.17Å; S201-D203 PolarHBondContact OG-N 3.04Å; S201-D203 VanDerWaalsContact OG-N 3.12Å; S201-D203 PolarHBondContact OG-OD2 3.18Å; S201-Y204 WeakPolarHBondContact O-CD2 3.48Å; S201-Y204 PolarHBondContact O-N 3.14Å
202	A	75.5	Confident	69	Low	22 Å²	22	46.4 Å²	46.4	18%	0.182	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-51.7	-17.7	166	0	0	0	0	0	112.8	F143 G148 V150 Y204 L205 K206	F143-A202 HydrophobicContact CD2-CB 4.36Å; F143-A202 HydrophobicContact CE2-CB 3.82Å; G148-A202 WeakPolarHBondContact O-CB 3.26Å; G148-A202 PolarHBondContact O-N 2.87Å; V150-A202 HydrophobicContact CG2-CB 4.29Å; A202-Y204 PolarHBondContact O-N 2.79Å; A202-L205 PolarHBondContact O-N 2.9Å; A202-K206 VanDerWaalsContact O-CB 3.28Å; A202-K206 WeakPolarHBondContact O-CB 3.44Å; A202-K206 PolarHBondContact O-N 3.21Å
203	D	72.8	Confident	68.7	Low	44 Å²	44	43.6 Å²	43.6	24%	0.235	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-57.1	-9	168	-61.8	-44.5	0	0	0	115.7	P32 I186 S201	P32-D203 HydrophobicContact CB-CB 3.53Å; P32-D203 VanDerWaalsContact CB-O 3.31Å; P32-D203 WeakPolarHBondContact CB-O 3.36Å; P32-D203 WeakPolarHBondContact CB-OD1 3.34Å; P32-D203 HydrophobicContact CG-CB 4.12Å; P32-D203 WeakPolarHBondContact CG-O 3.35Å; I186-D203 HydrophobicContact CG2-CB 3.95Å; S201-D203 WeakPolarHBondContact CB-OD2 3.46Å; S201-D203 PolarHBondContact O-N 2.88Å; S201-D203 WeakPolarHBondContact OG-CB 3.17Å; S201-D203 PolarHBondContact OG-N 3.04Å; S201-D203 VanDerWaalsContact OG-N 3.12Å; S201-D203 PolarHBondContact OG-OD2 3.18Å
204	Y	70.4	Confident	69	Low	4 Å²	4	41.5 Å²	41.5	2%	0.016	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-95.3	-29.2	166.3	-64.4	-79.2	0	0	0	113.1	F182 I186 L187 P189 F200 S201 A202 C209 L211 T327	F182-Y204 HydrophobicContact CZ-CD1 4.5Å; F182-Y204 HydrophobicContact CZ-CE1 4.42Å; I186-Y204 HydrophobicContact CB-CE2 4.44Å; I186-Y204 HydrophobicContact CD1-CE1 3.82Å; I186-Y204 VanDerWaalsContact CD1-OH 3.25Å; I186-Y204 WeakPolarHBondContact CD1-OH 3.18Å; I186-Y204 HydrophobicContact CG2-CE2 3.74Å; L187-Y204 PolarHBondContact O-OH 3.43Å; P189-Y204 WeakPolarHBondContact CD-OH 3.25Å; P189-Y204 HydrophobicContact CG-CD2 4.34Å; P189-Y204 HydrophobicContact CG-CE1 4.44Å; P189-Y204 HydrophobicContact CG-CE2 3.84Å; F200-Y204 HydrophobicContact CB-CD2 3.81Å; F200-Y204 HydrophobicContact CB-CE2 4.19Å; F200-Y204 AromaticContact CD2-CD2 3.96Å; F200-Y204 HydrophobicContact CD2-CD2 3.96Å; F200-Y204 HydrophobicContact CD2-CG 4.3Å; F200-Y204 HydrophobicContact CG-CD2 4.27Å; S201-Y204 WeakPolarHBondContact O-CD2 3.48Å; S201-Y204 PolarHBondContact O-N 3.14Å; A202-Y204 PolarHBondContact O-N 2.79Å; Y204-C209 HydrophobicContact CD1-CB 4.18Å; Y204-C209 PolarHBondContact O-N 3.14Å; Y204-L211 HydrophobicContact CD1-CD2 3.7Å; Y204-L211 HydrophobicContact CE1-CD2 4.32Å; Y204-L211 HydrophobicContact CG-CD2 4.09Å; Y204-T327 WeakPolarHBondContact O-CB 3.27Å; Y204-T327 WeakPolarHBondContact O-CG2 3.44Å; Y204-T327 PolarHBondContact O-OG1 2.96Å
205	L	71.3	Confident	68.9	Low	38 Å²	38	32.6 Å²	32.6	20%	0.199	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-55.4	175.5	-67.1	-171.1	0	0	0	111.6	V150 F200 A202 H207 R208 T327 I330	V150-L205 HydrophobicContact CG1-CD1 4.46Å; V150-L205 HydrophobicContact CG2-CD1 3.57Å; V150-L205 HydrophobicContact CG2-CG 3.96Å; F200-L205 HydrophobicContact CE2-CD2 4.06Å; F200-L205 HydrophobicContact CE2-CG 4.16Å; F200-L205 HydrophobicContact CZ-CD2 4.32Å; A202-L205 PolarHBondContact O-N 2.9Å; L205-H207 PolarHBondContact O-N 3.2Å; L205-R208 PolarHBondContact O-N 2.79Å; L205-T327 HydrophobicContact CD2-CG2 4.04Å; L205-I330 HydrophobicContact CD2-CB 4.07Å; L205-I330 HydrophobicContact CD2-CD1 4.21Å; L205-I330 HydrophobicContact CD2-CG2 4Å
206	K	69.3	Low	68	Low	76 Å²	76	30.4 Å²	30.4	33%	0.33	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-6.3	-163.1	173.6	-179.7	164.9	-87.3	0	115.7	D28 A29 E30 D31 P32 A202	D28-K206 PolarHBondContact O-NZ 3.02Å; A29-K206 WeakPolarHBondContact O-CE 3.19Å; A29-K206 PolarHBondContact O-NZ 3.48Å; E30-K206 VanDerWaalsContact C-CE 3.47Å; E30-K206 WeakPolarHBondContact O-CE 3.34Å; E30-K206 WeakPolarHBondContact O-CG 3.15Å; D31-K206 VanDerWaalsContact N-NZ 3.16Å; P32-K206 VanDerWaalsContact CD-CG 3.43Å; P32-K206 VanDerWaalsContact CD-NZ 3.26Å; P32-K206 HydrophobicContact CG-CB 3.96Å; P32-K206 HydrophobicContact CG-CD 4.37Å; P32-K206 HydrophobicContact CG-CG 4.21Å; A202-K206 VanDerWaalsContact O-CB 3.28Å; A202-K206 WeakPolarHBondContact O-CB 3.44Å; A202-K206 PolarHBondContact O-N 3.21Å
207	H	70.9	Confident	66.8	Low	3 Å²	3	34 Å²	34	1%	0.014	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.6	-17	-178.2	-147.6	-45.6	0	0	0	115.1	D31 P32 R33 M34 E179 L205	D31-H207 VanDerWaalsContact CA-CD2 3.4Å; D31-H207 WeakPolarHBondContact CA-CD2 3.46Å; D31-H207 VanDerWaalsContact CB-CD2 3.41Å; D31-H207 WeakPolarHBondContact CB-CD2 3.04Å; D31-H207 VanDerWaalsContact CB-NE2 3.33Å; D31-H207 WeakPolarHBondContact CB-NE2 3.41Å; D31-H207 VanDerWaalsContact CG-CG 3.41Å; D31-H207 VanDerWaalsContact CG-ND1 3.31Å; D31-H207 PolarHBondContact O-CD2 2.68Å; D31-H207 PolarHBondContact O-NE2 3.05Å; D31-H207 WeakPolarHBondContact OD1-CA 3.46Å; D31-H207 WeakPolarHBondContact OD1-CB 3.31Å; D31-H207 IonicContact OD1-CD2 2.88Å; D31-H207 PolarHBondContact OD1-CD2 2.94Å; D31-H207 IonicContact OD1-CE1 2.65Å; D31-H207 PolarHBondContact OD1-CE1 2.72Å; D31-H207 IonicContact OD1-CG 3.83Å; D31-H207 IonicContact OD1-ND1 2.79Å; D31-H207 PolarHBondContact OD1-ND1 3.46Å; D31-H207 IonicContact OD1-NE2 2.91Å; D31-H207 PolarHBondContact OD1-NE2 2.85Å; D31-H207 IonicContact OD2-CD2 3.59Å; D31-H207 IonicContact OD2-CE1 3.57Å; D31-H207 PolarHBondContact OD2-CE1 2.84Å; D31-H207 IonicContact OD2-CG 2.71Å; D31-H207 IonicContact OD2-ND1 2.62Å; D31-H207 PolarHBondContact OD2-ND1 2.99Å; D31-H207 IonicContact OD2-NE2 2.95Å; D31-H207 PolarHBondContact OD2-NE2 2.7Å; P32-H207 HydrophobicContact CG-CB 3.84Å; R33-H207 VanDerWaalsContact CA-CD2 3.42Å; R33-H207 WeakPolarHBondContact CA-CD2 3.37Å; R33-H207 HydrophobicContact CB-CB 4.29Å; R33-H207 WeakPolarHBondContact CB-CD2 3.46Å; R33-H207 VanDerWaalsContact CB-NE2 3.32Å; R33-H207 WeakPolarHBondContact CB-NE2 3.42Å; R33-H207 VanDerWaalsContact CD-CB 3.45Å; R33-H207 HydrophobicContact CG-CB 3.43Å; R33-H207 VanDerWaalsContact CG-CB 3.43Å; R33-H207 WeakPolarHBondContact CG-CD2 3.39Å; R33-H207 PolarHBondContact N-CD2 3.2Å; R33-H207 PolarHBondContact NE-ND1 3.34Å; R33-H207 PolarHBondContact NE-O 3.06Å; R33-H207 PolarHBondContact NH2-O 2.81Å; M34-H207 PolarHBondContact N-NE2 2.97Å; E179-H207 IonicContact OE2-CE1 3.73Å; E179-H207 IonicContact OE2-ND1 2.7Å; E179-H207 PolarHBondContact OE2-ND1 3.13Å; E179-H207 VanDerWaalsContact OE2-O 3.09Å; L205-H207 PolarHBondContact O-N 3.2Å
208	R	71.1	Confident	65.1	Low	124 Å²	124	33.2 Å²	33.2	47%	0.468	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	36.4	-169.5	-37	143.9	-167.8	146.9	9.6	117.9	R33 E179 L205 T327	R33-R208 VanDerWaalsContact CZ-O 3.25Å; R33-R208 PolarHBondContact NH1-O 3.1Å; R33-R208 PolarHBondContact NH2-O 2.82Å; E179-R208 IonicContact OE1-CZ 3.97Å; E179-R208 IonicContact OE1-NH1 2.88Å; E179-R208 PolarHBondContact OE1-NH1 3.4Å; E179-R208 IonicContact OE2-NH1 2.59Å; E179-R208 PolarHBondContact OE2-NH1 3.04Å; L205-R208 PolarHBondContact O-N 2.79Å; R208-T327 WeakPolarHBondContact CA-OG1 3.34Å
209	C	65.9	Low	62.9	Low	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.174	C	C	.	.			trans	-52.1	147.1	178.7	-98.6	0	0	0	0	112.9	R33 C178 F182 Y204 T327	R33-C209 WeakPolarHBondContact CD-SG 3.49Å; R33-C209 VanDerWaalsContact CG-SG 3.5Å; C178-C209 WeakPolarHBondContact CB-SG 3.39Å; C178-C209 WeakPolarHBondContact SG-CB 3.37Å; C178-C209 CovalentContact SG-SG 2.09Å; C178-C209 PolarHBondContact SG-SG 3.16Å; F182-C209 VanDerWaalsContact CE2-SG 3.56Å; Y204-C209 HydrophobicContact CD1-CB 4.18Å; Y204-C209 PolarHBondContact O-N 3.14Å; C209-T327 PolarHBondContact N-OG1 3.31Å; C209-T327 PolarHBondContact O-N 3.09Å; C209-T327 PolarHBondContact O-OG1 2.69Å
210	T	66	Low	60.8	Low	19 Å²	19	40.1 Å²	40.1	12%	0.117	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	109.5	164.7	-47	0	0	0	0	108.1	S176 S177 N324 T326	S176-T210 PolarHBondContact N-O 3Å; S176-T210 WeakPolarHBondContact OG-CB 3.37Å; S176-T210 WeakPolarHBondContact OG-CG2 3.45Å; S176-T210 PolarHBondContact OG-O 3.23Å; S176-T210 VanDerWaalsContact OG-O 3.11Å; S177-T210 WeakPolarHBondContact O-CB 3.31Å; S177-T210 PolarHBondContact O-N 3.45Å; S177-T210 PolarHBondContact O-OG1 2.92Å; S177-T210 WeakPolarHBondContact OG-CB 3.36Å; S177-T210 PolarHBondContact OG-OG1 3.28Å; T210-N324 HydrophobicContact CG2-CB 3.72Å; T210-T326 HydrophobicContact CG2-CG2 4.42Å
211	L	65.9	Low	58.8	Low	5 Å²	5	43.6 Å²	43.6	3%	0.026	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118	174.6	-63.6	176.8	0	0	0	109.1	I173 Q174 F200 Y204 N324 V325 T327	I173-L211 HydrophobicContact CG2-CB 4.1Å; I173-L211 HydrophobicContact CG2-CD1 4.35Å; I173-L211 HydrophobicContact CG2-CD2 4.15Å; I173-L211 HydrophobicContact CG2-CG 4.43Å; Q174-L211 CarbonylContact O-C 3.51Å; Q174-L211 WeakPolarHBondContact O-CA 3.35Å; F200-L211 HydrophobicContact CE1-CD1 4.29Å; F200-L211 HydrophobicContact CZ-CD1 4.26Å; Y204-L211 HydrophobicContact CD1-CD2 3.7Å; Y204-L211 HydrophobicContact CE1-CD2 4.32Å; Y204-L211 HydrophobicContact CG-CD2 4.09Å; L211-N324 CarbonylContact O-C 3.56Å; L211-N324 WeakPolarHBondContact O-CA 3.37Å; L211-V325 PolarHBondContact N-O 3.04Å; L211-V325 PolarHBondContact O-N 3.34Å; L211-T327 HydrophobicContact CD1-CG2 3.67Å; L211-T327 HydrophobicContact CG-CG2 4.01Å
212	R	61.8	Low	56.8	Low	88 Å²	88	48.5 Å²	48.5	33%	0.332	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	141.5	162.5	-86.6	176.5	-176.5	150	5.7	109.8	I173 Q174 Y214 E322 F323 N324	I173-R212 CarbonylContact C-O 3.47Å; I173-R212 VanDerWaalsContact CA-O 3.29Å; I173-R212 WeakPolarHBondContact CA-O 3.3Å; Q174-R212 PolarHBondContact N-O 3.48Å; Q174-R212 PolarHBondContact O-N 3.35Å; R212-Y214 HydrophobicContact CB-CE2 4.01Å; R212-Y214 WeakPolarHBondContact CD-OH 3.47Å; R212-E322 VanDerWaalsContact CD-OE1 3.26Å; R212-E322 WeakPolarHBondContact CD-OE1 3.48Å; R212-E322 HydrophobicContact CG-CG 4.26Å; R212-E322 IonicContact CZ-OE1 3.92Å; R212-E322 IonicContact NE-OE1 2.92Å; R212-E322 PolarHBondContact NE-OE1 2.72Å; R212-E322 IonicContact NH2-OE1 2.65Å; R212-F323 CarbonylContact C-O 3.53Å; R212-F323 WeakPolarHBondContact CA-O 3.04Å; R212-N324 VanDerWaalsContact CG-OD1 3.22Å; R212-N324 WeakPolarHBondContact CG-OD1 3.34Å
213	V	60.1	Low	54.7	Low	8 Å²	8	49 Å²	49	5%	0.048	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.9	169.5	-165.9	0	0	0	0	108.7	T172 I173 E322 F323 V325	T172-V213 CarbonylContact O-C 3.55Å; T172-V213 VanDerWaalsContact O-CA 3.28Å; T172-V213 WeakPolarHBondContact O-CA 3.46Å; I173-V213 HydrophobicContact CG1-CG1 4.08Å; I173-V213 HydrophobicContact CG1-CG2 4.12Å; V213-E322 WeakPolarHBondContact O-CA 3.34Å; V213-F323 HydrophobicContact CB-CD1 4.36Å; V213-F323 HydrophobicContact CB-CD2 3.89Å; V213-F323 HydrophobicContact CB-CE1 3.95Å; V213-F323 HydrophobicContact CB-CE2 3.45Å; V213-F323 VanDerWaalsContact CB-CE2 3.45Å; V213-F323 HydrophobicContact CB-CG 4.32Å; V213-F323 HydrophobicContact CB-CZ 3.47Å; V213-F323 VanDerWaalsContact CB-CZ 3.47Å; V213-F323 HydrophobicContact CG1-CE1 4.09Å; V213-F323 HydrophobicContact CG1-CE2 3.83Å; V213-F323 HydrophobicContact CG1-CZ 3.45Å; V213-F323 VanDerWaalsContact CG1-CZ 3.45Å; V213-F323 HydrophobicContact CG2-CD2 4.09Å; V213-F323 HydrophobicContact CG2-CE2 3.74Å; V213-F323 HydrophobicContact CG2-CZ 4.24Å; V213-F323 PolarHBondContact N-O 2.94Å; V213-F323 PolarHBondContact O-N 3.22Å; V213-V325 HydrophobicContact CG2-CG2 4.35Å
214	Y	55.4	Low	53.2	Low	31 Å²	31	54 Å²	54	12%	0.122	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146.2	179.6	-44.4	-92.6	0	0	0	110.9	P171 T172 Q174 R212 P319 A321 E322	P171-Y214 CarbonylContact C-O 3.52Å; P171-Y214 VanDerWaalsContact CA-O 3.27Å; P171-Y214 WeakPolarHBondContact CA-O 3.16Å; T172-Y214 PolarHBondContact N-O 2.71Å; T172-Y214 PolarHBondContact O-N 2.83Å; Q174-Y214 HydrophobicContact CB-CE2 4.12Å; Q174-Y214 HydrophobicContact CG-CE2 3.96Å; Q174-Y214 PolarHBondContact OE1-OH 2.86Å; R212-Y214 HydrophobicContact CB-CE2 4.01Å; R212-Y214 WeakPolarHBondContact CD-OH 3.47Å; Y214-P319 HydrophobicContact CD1-CB 4.26Å; Y214-A321 WeakPolarHBondContact CA-O 3.25Å; Y214-E322 HydrophobicContact CD1-CB 4.17Å; Y214-E322 HydrophobicContact CD1-CG 4.06Å; Y214-E322 HydrophobicContact CE1-CB 4.45Å; Y214-E322 HydrophobicContact CE1-CG 3.92Å
215	L	54.7	Low	51.5	Low	8 Å²	8	54.9 Å²	54.9	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.2	175.1	-74.1	167.2	0	0	0	111.3	F134 I136 Y156 V169 P171 P319 V320 A321 F323	F134-L215 HydrophobicContact CE2-CD1 4.07Å; F134-L215 HydrophobicContact CZ-CD1 4.2Å; I136-L215 HydrophobicContact CD1-CD1 4.41Å; Y156-L215 HydrophobicContact CE1-CD2 4.06Å; V169-L215 HydrophobicContact CG1-CB 4.14Å; V169-L215 HydrophobicContact CG1-CD2 4.1Å; P171-L215 HydrophobicContact CB-CD2 4.4Å; L215-P319 CarbonylContact O-C 3.45Å; L215-P319 WeakPolarHBondContact O-CA 3.49Å; L215-V320 PolarHBondContact O-N 2.95Å; L215-A321 PolarHBondContact N-O 2.73Å; L215-F323 HydrophobicContact CD1-CE1 4.24Å; L215-F323 HydrophobicContact CG-CE1 4.37Å
216	N	47.7	Very low	50	Low	6 Å²	6	54 Å²	54	3%	0.032	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	140.7	-156.2	-63.7	-35	0	0	0	114.6	V169 F170 T172 N317	V169-N216 CarbonylContact C-O 3.52Å; V169-N216 WeakPolarHBondContact CA-O 3.18Å; F170-N216 HydrophobicContact CD1-CB 3.88Å; F170-N216 WeakPolarHBondContact CD1-O 3.46Å; F170-N216 HydrophobicContact CD2-CB 4.15Å; F170-N216 HydrophobicContact CE1-CB 3.71Å; F170-N216 HydrophobicContact CE2-CB 4Å; F170-N216 HydrophobicContact CG-CB 4.11Å; F170-N216 HydrophobicContact CZ-CB 3.8Å; F170-N216 PolarHBondContact N-O 3.48Å; F170-N216 WeakPolarHBondContact O-CB 3.17Å; F170-N216 PolarHBondContact O-N 3.4Å; F170-N216 PolarHBondContact O-ND2 3.23Å; T172-N216 WeakPolarHBondContact CG2-ND2 3.49Å; T172-N216 PolarHBondContact OG1-ND2 3.07Å; N216-N317 HydrophobicContact CB-CB 3.72Å; N216-N317 VanDerWaalsContact CB-CG 3.47Å
217	K	41.8	Very low	48.4	Very low	83 Å²	83	53.4 Å²	53.4	36%	0.361	26%	0.259	S	S	.	.			trans	-106.9	160.2	-175.8	178.4	164.1	178.3	173.5	0	114.8	V167 S168 N316 N317	V167-K217 HydrophobicContact CG1-CD 4.08Å; V167-K217 HydrophobicContact CG1-CG 4.15Å; S168-K217 WeakPolarHBondContact O-CA 3.49Å; K217-N316 CarbonylContact O-C 3.55Å; K217-N317 PolarHBondContact O-N 2.94Å; K217-N317 PolarHBondContact O-OD1 3.5Å
218	R	39.6	Very low	46.8	Very low	74 Å²	74	56.6 Å²	56.6	28%	0.279	27%	0.274	S	S	.	.			trans	-145	149.1	176.1	-138.5	176.8	-168.3	-173.8	8.6	114.7	Y220 Y313 A314 N316	R218-Y220 HydrophobicContact CG-CE2 4.22Å; R218-Y313 PolarHBondContact NE-O 3.02Å; R218-Y313 PolarHBondContact NH2-O 2.98Å; R218-A314 VanDerWaalsContact NH2-N 3.16Å; R218-N316 HydrophobicContact CG-CB 4.32Å
219	V	32.1	Very low	45.1	Very low	85 Å²	85	52.7 Å²	52.7	52%	0.515	26%	0.262	S	S	.	.			trans	-153.1	161.3	179.8	-170.4	0	0	0	0	109.6	N316	V219-N316 PolarHBondContact O-ND2 2.87Å
220	Y	32.6	Very low	43.7	Very low	107 Å²	107	58.9 Å²	58.9	42%	0.42	29%	0.286	S	S	.	.			trans	-147.9	160.9	-167.6	-95.9	-88.8	0	0	0	119.3	R218 Y313	R218-Y220 HydrophobicContact CG-CE2 4.22Å; Y220-Y313 AromaticContact CD1-CD1 3.59Å; Y220-Y313 HydrophobicContact CD1-CD1 3.59Å; Y220-Y313 HydrophobicContact CD1-CD2 4.42Å; Y220-Y313 AromaticContact CD1-CE1 3.51Å; Y220-Y313 HydrophobicContact CD1-CE1 3.51Å; Y220-Y313 HydrophobicContact CD1-CE2 4.36Å; Y220-Y313 HydrophobicContact CD1-CG 4.06Å; Y220-Y313 AromaticContact CD1-CZ 3.91Å; Y220-Y313 HydrophobicContact CD2-CD1 4.42Å; Y220-Y313 AromaticContact CE1-CD1 3.37Å; Y220-Y313 HydrophobicContact CE1-CD1 3.37Å; Y220-Y313 AromaticContact CE1-CD2 3.62Å; Y220-Y313 HydrophobicContact CE1-CD2 3.62Å; Y220-Y313 AromaticContact CE1-CE1 3.67Å; Y220-Y313 HydrophobicContact CE1-CE1 3.67Å; Y220-Y313 AromaticContact CE1-CE2 3.91Å; Y220-Y313 HydrophobicContact CE1-CE2 3.91Å; Y220-Y313 AromaticContact CE1-CG 3.35Å; Y220-Y313 HydrophobicContact CE1-CG 3.35Å; Y220-Y313 AromaticContact CE1-CZ 3.92Å; Y220-Y313 HydrophobicContact CE2-CD1 4.25Å; Y220-Y313 HydrophobicContact CE2-CG 4.39Å; Y220-Y313 HydrophobicContact CG-CD1 4.12Å; Y220-Y313 HydrophobicContact CG-CE1 4.19Å; Y220-Y313 VanDerWaalsContact CZ-CB 3.49Å; Y220-Y313 AromaticContact CZ-CD1 3.74Å; Y220-Y313 AromaticContact CZ-CG 3.55Å; Y220-Y313 WeakPolarHBondContact OH-CB 3.36Å
221	E	34.5	Very low	42.2	Very low	78 Å²	78	58.7 Å²	58.7	36%	0.364	28%	0.283	S	S	.	.			trans	70.9	165.8	159.1	-113.8	102	-92.8	0	0	118.7	N281 A282	E221-N281 WeakPolarHBondContact CG-O 3.25Å; E221-A282 VanDerWaalsContact OE2-CA 3.31Å; E221-A282 WeakPolarHBondContact OE2-CA 3.38Å; E221-A282 WeakPolarHBondContact OE2-CB 3.33Å
222	H	33.7	Very low	40.6	Very low	116 Å²	116	62 Å²	62	54%	0.537	30%	0.304	S	S	.	.			cis	-159	160.7	11.1	179.3	87.9	0	0	0	112.5	N281 F283	H222-N281 PolarHBondContact CE1-O 3.42Å; H222-N281 VanDerWaalsContact CE1-O 3.29Å; H222-N281 PolarHBondContact ND1-O 2.94Å; H222-F283 AromaticContact CE1-CD2 3.69Å
223	G	31.9	Very low	39.1	Very low	33 Å²	33	58.3 Å²	58.3	34%	0.34	29%	0.291	S	S	.	.			trans	132.8	94.6	152	0	0	0	0	0	121.9	S225 Q228	G223-S225 PolarHBondContact O-N 2.83Å; G223-Q228 PolarHBondContact O-NE2 3.41Å
224	D	40	Very low	37.7	Very low	147 Å²	147	60.4 Å²	60.4	79%	0.786	30%	0.301	S	S	*	.			trans	48.8	-18.1	153.4	-82.9	12	0	0	0	127.2
225	S	36	Very low	36.5	Very low	23 Å²	23	60.1 Å²	60.1	16%	0.161	30%	0.302	C	S	.	.			trans	-94	154.3	-174.1	-24.2	0	0	0	0	115.7	G223 Q228 D241	G223-S225 PolarHBondContact O-N 2.83Å; S225-Q228 WeakPolarHBondContact OG-CG 3.48Å; S225-Q228 PolarHBondContact OG-NE2 3.4Å; S225-D241 WeakPolarHBondContact CB-OD1 3.35Å; S225-D241 PolarHBondContact OG-OD1 2.92Å
226	C	38.5	Very low	35.7	Very low	21 Å²	21	65.8 Å²	65.8	14%	0.142	33%	0.328	C	S	.	.	S	Bend	trans	-73.6	-36.2	177.5	-130.2	0	0	0	0	112.5	I242 C244	C226-I242 WeakPolarHBondContact CB-O 3.36Å; C226-C244 HydrophobicContact CB-CB 4.15Å; C226-C244 WeakPolarHBondContact CB-SG 3.26Å; C226-C244 VanDerWaalsContact SG-CA 3.55Å; C226-C244 WeakPolarHBondContact SG-CB 3.38Å; C226-C244 CovalentContact SG-SG 2.04Å; C226-C244 PolarHBondContact SG-SG 3.45Å
227	L	36.8	Very low	35.2	Very low	63 Å²	63	67.2 Å²	67.2	33%	0.33	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-146	133.4	159.9	-136.5	77.9	0	0	0	107.3	I242 A309	L227-I242 HydrophobicContact CB-CB 3.87Å; L227-I242 HydrophobicContact CB-CD1 4.29Å; L227-I242 HydrophobicContact CB-CG1 4.37Å; L227-I242 HydrophobicContact CD2-CD1 4.09Å; L227-I242 PolarHBondContact O-N 3.25Å; L227-A309 HydrophobicContact CD1-CB 4.15Å
228	Q	37.8	Very low	35	Very low	70 Å²	70	70.6 Å²	70.6	33%	0.327	36%	0.355	S	S	.	.			trans	-101.7	141.1	162.5	-64.7	177.5	-16.4	0	0	107.4	G223 S225 Y230	G223-Q228 PolarHBondContact O-NE2 3.41Å; S225-Q228 WeakPolarHBondContact OG-CG 3.48Å; S225-Q228 PolarHBondContact OG-NE2 3.4Å; Q228-Y230 HydrophobicContact CB-CD2 4.29Å; Q228-Y230 HydrophobicContact CB-CE2 3.64Å; Q228-Y230 PolarHBondContact OE1-OH 3.18Å
229	L	34.1	Very low	35	Very low	42 Å²	42	70 Å²	70	22%	0.22	36%	0.361	C	S	.	.			trans	-129.8	23.4	-154.6	-131.9	-157.6	0	0	0	114.7	E82 R231 L240 I242 V377 L381	E82-L229 WeakPolarHBondContact OE1-CA 3.45Å; E82-L229 WeakPolarHBondContact OE1-CB 3.22Å; E82-L229 PolarHBondContact OE1-N 3.16Å; L229-R231 PolarHBondContact O-N 3.05Å; L229-L240 HydrophobicContact CB-CD2 4.49Å; L229-L240 HydrophobicContact CD1-CD2 4.03Å; L229-I242 HydrophobicContact CD1-CD1 3.64Å; L229-I242 HydrophobicContact CD1-CG1 4.23Å; L229-I242 HydrophobicContact CG-CD1 4.05Å; L229-V377 HydrophobicContact CD1-CG1 4.32Å; L229-L381 HydrophobicContact CD1-CD1 4.4Å; L229-L381 HydrophobicContact CD1-CD2 3.99Å
230	Y	37	Very low	35.4	Very low	129 Å²	129	67.1 Å²	67.1	51%	0.506	34%	0.342	S	S	.	.			trans	-20.7	115	-178.2	-54.6	-85.2	0	0	0	114.7	E82 Q228 P239	E82-Y230 VanDerWaalsContact CD-CA 3.42Å; E82-Y230 PolarHBondContact OE1-N 2.89Å; E82-Y230 WeakPolarHBondContact OE2-CA 3.42Å; E82-Y230 PolarHBondContact OE2-N 3.14Å; Q228-Y230 HydrophobicContact CB-CD2 4.29Å; Q228-Y230 HydrophobicContact CB-CE2 3.64Å; Q228-Y230 PolarHBondContact OE1-OH 3.18Å; Y230-P239 HydrophobicContact CE1-CB 4.5Å
231	R	34.5	Very low	36	Very low	15 Å²	15	66.6 Å²	66.6	6%	0.057	35%	0.347	C	S	.	.			trans	-68.7	-179.6	173.8	176.2	165.2	142.2	-142.9	20.8	109.2	V80 D81 E82 E83 D84 T85 L229 D233 I234	V80-R231 VanDerWaalsContact CA-O 3.29Å; V80-R231 WeakPolarHBondContact CA-O 3.29Å; V80-R231 VanDerWaalsContact CB-C 3.41Å; V80-R231 HydrophobicContact CB-CB 4.37Å; V80-R231 WeakPolarHBondContact CB-O 3.05Å; V80-R231 HydrophobicContact CG1-CB 3.76Å; V80-R231 HydrophobicContact CG1-CG 3.59Å; V80-R231 PolarHBondContact O-N 2.99Å; D81-R231 WeakPolarHBondContact O-CB 3.32Å; D81-R231 WeakPolarHBondContact O-CD 3.24Å; D81-R231 WeakPolarHBondContact O-CG 3.45Å; D81-R231 PolarHBondContact O-NE 2.8Å; D81-R231 PolarHBondContact O-NH1 2.76Å; D81-R231 IonicContact OD2-CZ 3.97Å; D81-R231 IonicContact OD2-NH1 3.58Å; D81-R231 PolarHBondContact OD2-NH1 2.73Å; E82-R231 VanDerWaalsContact C-CD 3.47Å; E82-R231 HydrophobicContact CB-CB 4.49Å; E82-R231 HydrophobicContact CG-CB 4.35Å; E83-R231 VanDerWaalsContact N-CD 3.25Å; D84-R231 IonicContact OD1-NH2 2.74Å; D84-R231 IonicContact OD2-CZ 2.68Å; D84-R231 IonicContact OD2-NH2 3.8Å; D84-R231 PolarHBondContact OD2-NH2 3.42Å; T85-R231 HydrophobicContact CG2-CB 3.88Å; T85-R231 HydrophobicContact CG2-CG 3.81Å; T85-R231 VanDerWaalsContact N-CD 3.26Å; T85-R231 WeakPolarHBondContact OG1-CB 3.49Å; T85-R231 VanDerWaalsContact OG1-CG 3.24Å; T85-R231 WeakPolarHBondContact OG1-CG 3.33Å; L229-R231 PolarHBondContact O-N 3.05Å; R231-D233 VanDerWaalsContact CG-CG 3.48Å; R231-D233 VanDerWaalsContact CG-OD1 3.22Å; R231-D233 WeakPolarHBondContact CG-OD1 3.49Å; R231-D233 WeakPolarHBondContact CG-OD2 3.36Å; R231-D233 IonicContact NE-OD2 3.49Å; R231-D233 PolarHBondContact NE-OD2 3.32Å; R231-I234 VanDerWaalsContact CZ-CD1 3.47Å
232	T	32.1	Very low	36.4	Very low	75 Å²	75	63.6 Å²	63.6	46%	0.46	33%	0.333	S	S	.	.	S	Bend	trans	-136.7	15.5	-166.9	48	0	0	0	0	116.6
233	D	30.3	Very low	37.1	Very low	10 Å²	10	60.6 Å²	60.6	5%	0.053	33%	0.325	C	S	.	.	S	Bend	trans	-129.1	-13.8	-162.1	26.1	-65.5	0	0	0	120.6	V80 R231	V80-D233 HydrophobicContact CG1-CB 4.48Å; R231-D233 VanDerWaalsContact CG-CG 3.48Å; R231-D233 VanDerWaalsContact CG-OD1 3.22Å; R231-D233 WeakPolarHBondContact CG-OD1 3.49Å; R231-D233 WeakPolarHBondContact CG-OD2 3.36Å; R231-D233 IonicContact NE-OD2 3.49Å; R231-D233 PolarHBondContact NE-OD2 3.32Å
234	I	30.2	Very low	37.6	Very low	52 Å²	52	61.8 Å²	61.8	27%	0.267	33%	0.328	S	S	.	.	S	Bend	trans	-150.6	133.3	-170.9	-54.1	159.9	0	0	0	112.7	L79 V80 D81 W108 R231	L79-I234 CarbonylContact C-O 3.46Å; L79-I234 VanDerWaalsContact C-O 3.24Å; V80-I234 WeakPolarHBondContact CB-O 3.4Å; V80-I234 HydrophobicContact CG1-CB 3.83Å; V80-I234 HydrophobicContact CG1-CG1 4.41Å; V80-I234 WeakPolarHBondContact CG1-O 3.41Å; V80-I234 WeakPolarHBondContact CG2-O 3.23Å; D81-I234 PolarHBondContact N-O 3.31Å; W108-I234 HydrophobicContact CZ2-CG1 4.19Å; R231-I234 VanDerWaalsContact CZ-CD1 3.47Å
235	D	29.9	Very low	38.1	Very low	26 Å²	26	60.8 Å²	60.8	14%	0.139	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-73.5	134.4	179.8	-153.6	-124.5	0	0	0	115.8	P77 L78 L79	P77-D235 WeakPolarHBondContact CG-OD2 3.34Å; P77-D235 VanDerWaalsContact O-OD2 3.08Å; L78-D235 WeakPolarHBondContact CA-OD2 3.1Å; L78-D235 HydrophobicContact CD1-CB 4.24Å; L78-D235 PolarHBondContact N-OD2 3.04Å; L79-D235 WeakPolarHBondContact CA-OD2 3.27Å; L79-D235 WeakPolarHBondContact CB-OD2 3.23Å; L79-D235 VanDerWaalsContact CG-OD2 3.32Å; L79-D235 WeakPolarHBondContact CG-OD2 3.14Å; L79-D235 PolarHBondContact N-OD2 3.46Å; L79-D235 CarbonylContact O-C 3.47Å
236	H	39.1	Very low	38.5	Very low	127 Å²	127	60.2 Å²	60.2	59%	0.588	31%	0.314	S	S	*	.	S	Bend	trans	92.2	72.7	173.8	-58.2	-40.6	0	0	0	118.7	L79	L79-H236 CarbonylContact O-C 3.54Å; L79-H236 WeakPolarHBondContact O-CA 3.5Å; L79-H236 PolarHBondContact O-N 2.82Å
237	S	36.8	Very low	38.8	Very low	35 Å²	35	60.3 Å²	60.3	25%	0.245	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-62.9	144.6	178.3	-19.5	0	0	0	0	118.9	L79 V80 D81	L79-S237 PolarHBondContact O-N 2.98Å; L79-S237 VanDerWaalsContact O-N 3.08Å; L79-S237 PolarHBondContact O-OG 2.76Å; V80-S237 VanDerWaalsContact C-CB 3.48Å; V80-S237 PolarHBondContact N-OG 2.67Å; V80-S237 VanDerWaalsContact O-CB 3.22Å; V80-S237 WeakPolarHBondContact O-CB 3.38Å; V80-S237 PolarHBondContact O-OG 2.75Å; D81-S237 PolarHBondContact N-OG 2.92Å
238	Q	38.2	Very low	39.2	Very low	155 Å²	155	63 Å²	63	72%	0.724	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-91.3	125.7	138.3	-65.6	-157.7	-3.5	0	0	110.6	E82	E82-Q238 VanDerWaalsContact CB-O 3.24Å; E82-Q238 WeakPolarHBondContact CB-O 3.43Å
239	P	39.4	Very low	39.6	Very low	60 Å²	60	61.5 Å²	61.5	39%	0.39	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-60.7	135.7	171.2	24.9	-32.7	0	0	0	111.6	E82 Y230	E82-P239 WeakPolarHBondContact OE2-CA 3.44Å; Y230-P239 HydrophobicContact CE1-CB 4.5Å
240	L	41	Very low	40.1	Very low	26 Å²	26	62.2 Å²	62.2	14%	0.136	33%	0.33	C	S	.	.			trans	-97.1	95.2	177.7	-172.6	107.9	0	0	0	109.7	E82 L229 I242 L381 L386	E82-L240 HydrophobicContact CB-CB 4Å; E82-L240 HydrophobicContact CG-CB 3.62Å; E82-L240 WeakPolarHBondContact OE1-CA 3.47Å; E82-L240 VanDerWaalsContact OE1-CB 3.28Å; E82-L240 WeakPolarHBondContact OE1-CB 3.39Å; E82-L240 PolarHBondContact OE1-N 2.87Å; L229-L240 HydrophobicContact CB-CD2 4.49Å; L229-L240 HydrophobicContact CD1-CD2 4.03Å; L240-I242 HydrophobicContact CD2-CG1 4.43Å; L240-I242 PolarHBondContact O-N 3.28Å; L240-L381 HydrophobicContact CD2-CD2 4.04Å; L240-L386 HydrophobicContact CD1-CB 4.44Å; L240-L386 HydrophobicContact CD2-CD1 4.46Å
241	D	45.1	Very low	40.6	Very low	95 Å²	95	61.1 Å²	61.1	51%	0.508	34%	0.342	S	S	.	.			trans	-69.5	102.2	-178.7	-62.6	-34.2	0	0	0	111.6	S225 S243	S225-D241 WeakPolarHBondContact CB-OD1 3.35Å; S225-D241 PolarHBondContact OG-OD1 2.92Å; D241-S243 PolarHBondContact O-N 2.87Å
242	I	42.8	Very low	41.1	Very low	15 Å²	15	62.7 Å²	62.7	8%	0.077	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-68.6	123	168.7	-67.8	-175	0	0	0	108.7	C226 L227 L229 L240 L381	C226-I242 WeakPolarHBondContact CB-O 3.36Å; L227-I242 HydrophobicContact CB-CB 3.87Å; L227-I242 HydrophobicContact CB-CD1 4.29Å; L227-I242 HydrophobicContact CB-CG1 4.37Å; L227-I242 HydrophobicContact CD2-CD1 4.09Å; L227-I242 PolarHBondContact O-N 3.25Å; L229-I242 HydrophobicContact CD1-CD1 3.64Å; L229-I242 HydrophobicContact CD1-CG1 4.23Å; L229-I242 HydrophobicContact CG-CD1 4.05Å; L240-I242 HydrophobicContact CD2-CG1 4.43Å; L240-I242 PolarHBondContact O-N 3.28Å; I242-L381 HydrophobicContact CD1-CD2 4.48Å
243	S	46.8	Very low	41.9	Very low	54 Å²	54	63.1 Å²	63.1	38%	0.378	36%	0.358	S	S	.	.			trans	-65.6	148.6	177.5	93.6	0	0	0	0	111.9	D241 E245 S246	D241-S243 PolarHBondContact O-N 2.87Å; S243-E245 PolarHBondContact O-N 2.87Å; S243-E245 VanDerWaalsContact OG-CB 3.24Å; S243-E245 WeakPolarHBondContact OG-CB 3.45Å; S243-E245 PolarHBondContact OG-N 3.07Å; S243-E245 VanDerWaalsContact OG-N 3.12Å; S243-S246 PolarHBondContact O-OG 3.32Å; S243-S246 PolarHBondContact OG-N 3.3Å; S243-S246 PolarHBondContact OG-OG 3.12Å
244	C	43.6	Very low	42.5	Very low	57 Å²	57	69.4 Å²	69.4	39%	0.385	39%	0.389	S	S	.	.	S	Bend	trans	-70.7	-7.5	170.5	-49.7	0	0	0	0	113.1	C226	C226-C244 HydrophobicContact CB-CB 4.15Å; C226-C244 WeakPolarHBondContact CB-SG 3.26Å; C226-C244 VanDerWaalsContact SG-CA 3.55Å; C226-C244 WeakPolarHBondContact SG-CB 3.38Å; C226-C244 CovalentContact SG-SG 2.04Å; C226-C244 PolarHBondContact SG-SG 3.45Å
245	E	50.4	Low	43	Very low	126 Å²	126	77 Å²	77	59%	0.589	42%	0.42	S	S	*	.	S	Bend	trans	-73.3	-43	-179.1	-143.7	65	-127.5	0	0	110.7	S243 V247 K248	S243-E245 PolarHBondContact O-N 2.87Å; S243-E245 VanDerWaalsContact OG-CB 3.24Å; S243-E245 WeakPolarHBondContact OG-CB 3.45Å; S243-E245 PolarHBondContact OG-N 3.07Å; S243-E245 VanDerWaalsContact OG-N 3.12Å; E245-V247 PolarHBondContact O-N 3.22Å; E245-V247 VanDerWaalsContact O-N 3.13Å; E245-K248 WeakPolarHBondContact O-CB 3.42Å; E245-K248 WeakPolarHBondContact O-CG 3.42Å; E245-K248 PolarHBondContact O-N 3.19Å; E245-K248 VanDerWaalsContact O-N 3.13Å; E245-K248 IonicContact OE1-NZ 2.7Å; E245-K248 PolarHBondContact OE1-NZ 3.14Å; E245-K248 IonicContact OE2-NZ 3.48Å
246	S	45	Very low	43.4	Very low	12 Å²	12	83.6 Å²	83.6	8%	0.084	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-57.5	-30.2	-173.2	-39.4	0	0	0	0	113.9	S243 K248 D384	S243-S246 PolarHBondContact O-OG 3.32Å; S243-S246 PolarHBondContact OG-N 3.3Å; S243-S246 PolarHBondContact OG-OG 3.12Å; S246-K248 VanDerWaalsContact C-N 3.3Å; S246-K248 PolarHBondContact O-N 3.25Å; S246-D384 WeakPolarHBondContact CB-OD2 3.03Å; S246-D384 PolarHBondContact OG-OD2 3.15Å
247	V	44.1	Very low	43.2	Very low	23 Å²	23	82.5 Å²	82.5	14%	0.139	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-75.9	-15.8	-176.1	-169.1	0	0	0	0	112.7	E245 G249 L250 V287 V289	E245-V247 PolarHBondContact O-N 3.22Å; E245-V247 VanDerWaalsContact O-N 3.13Å; V247-G249 PolarHBondContact O-N 3.02Å; V247-G249 VanDerWaalsContact O-N 3.16Å; V247-L250 HydrophobicContact CG1-CD1 4.5Å; V247-V287 HydrophobicContact CB-CG1 4.34Å; V247-V287 HydrophobicContact CG1-CG1 3.94Å; V247-V289 HydrophobicContact CG1-CG2 3.78Å
248	K	44.9	Very low	43.1	Very low	120 Å²	120	87.5 Å²	87.5	52%	0.522	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-70	-9.9	-175	-64.2	174.4	-176.5	174.2	0	114.6	E245 S246	E245-K248 WeakPolarHBondContact O-CB 3.42Å; E245-K248 WeakPolarHBondContact O-CG 3.42Å; E245-K248 PolarHBondContact O-N 3.19Å; E245-K248 VanDerWaalsContact O-N 3.13Å; E245-K248 IonicContact OE1-NZ 2.7Å; E245-K248 PolarHBondContact OE1-NZ 3.14Å; E245-K248 IonicContact OE2-NZ 3.48Å; S246-K248 VanDerWaalsContact C-N 3.3Å; S246-K248 PolarHBondContact O-N 3.25Å
249	G	45.4	Very low	42.7	Very low	38 Å²	38	85.1 Å²	85.1	39%	0.392	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-107.9	35	-167.6	0	0	0	0	0	117	V247 R383	V247-G249 PolarHBondContact O-N 3.02Å; V247-G249 VanDerWaalsContact O-N 3.16Å; G249-R383 PolarHBondContact O-NH1 2.95Å
250	L	45.4	Very low	42.4	Very low	57 Å²	57	85.4 Å²	85.4	30%	0.298	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-94.4	133.8	-178.6	-70.5	167.7	0	0	0	113	V247 V289 I375	V247-L250 HydrophobicContact CG1-CD1 4.5Å; L250-V289 HydrophobicContact CD1-CG1 4.31Å; L250-V289 HydrophobicContact CD1-CG2 4.4Å; L250-I375 HydrophobicContact CD1-CD1 4.49Å; L250-I375 HydrophobicContact CD2-CD1 4.47Å
251	S	47	Very low	42.2	Very low	106 Å²	106	94 Å²	94	74%	0.741	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-91.8	151.6	-178.3	51.9	0	0	0	0	114
252	C	45.8	Very low	41.9	Very low	47 Å²	47	93.9 Å²	93.9	32%	0.318	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-62.8	133.7	175.7	-75.7	0	0	0	0	112.2	M254 C266	C252-M254 PolarHBondContact O-N 3.16Å; C252-C266 HydrophobicContact CB-CB 3.95Å; C252-C266 WeakPolarHBondContact CB-SG 3.27Å; C252-C266 WeakPolarHBondContact SG-CB 3.36Å; C252-C266 PolarHBondContact SG-O 3.49Å; C252-C266 CovalentContact SG-SG 2.05Å; C252-C266 PolarHBondContact SG-SG 3.34Å
253	P	48.3	Very low	41.9	Very low	84 Å²	84	99.2 Å²	99.2	55%	0.545	58%	0.58	S	S	.	*	S	Bend	trans	-83	3.8	-167.9	32.2	-37.4	0	0	0	116
254	M	43.1	Very low	41.8	Very low	143 Å²	143	100.4 Å²	100.4	70%	0.704	58%	0.58	S	S	*	*			trans	-107.8	123.7	-176.9	-65.9	-179.4	71.4	0	0	112	C252	C252-M254 PolarHBondContact O-N 3.16Å
255	K	41.4	Very low	42	Very low	210 Å²	210	102.4 Å²	102.4	91%	0.913	59%	0.587	S	S	*	*			trans	-99.1	126	165.2	-74.7	-178.9	177.5	179.1	0	109.1
256	H	37.9	Very low	41.9	Very low	165 Å²	165	98.4 Å²	98.4	76%	0.764	57%	0.572	S	S	*	*			trans	-65.2	139.6	178.6	-69.3	-95	0	0	0	112.3
257	S	35.5	Very low	42.2	Very low	104 Å²	104	102.7 Å²	102.7	73%	0.727	59%	0.594	S	S	*	*			trans	-126.2	92.3	166.8	63.1	0	0	0	0	111.5
258	V	33.9	Very low	42.3	Very low	140 Å²	140	104.6 Å²	104.6	85%	0.848	61%	0.607	S	S	*	*	S	Bend	trans	51	97.2	153.3	-166.5	0	0	0	0	118
259	A	30.9	Very low	42.4	Very low	105 Å²	105	102.2 Å²	102.2	87%	0.868	60%	0.602	S	S	*	*	S	Bend	trans	57.6	76	145.9	0	0	0	0	0	119.6
260	G	32.1	Very low	42.3	Very low	67 Å²	67	102.8 Å²	102.8	69%	0.691	60%	0.598	S	S	*	*	S	Bend	trans	-177.5	121	162.9	0	0	0	0	0	114.4	C262	G260-C262 VanDerWaalsContact C-N 3.3Å; G260-C262 PolarHBondContact O-N 2.86Å
261	E	37.9	Very low	42.3	Very low	205 Å²	205	104.1 Å²	104.1	96%	0.958	60%	0.603	S	S	*	*	S	Bend	trans	48	-4.9	158.4	-51.4	-150.8	153.4	0	0	123.1
262	C	37.8	Very low	42	Very low	93 Å²	93	103.2 Å²	103.2	63%	0.628	59%	0.593	S	S	*	*			trans	-123.9	101.3	174.6	-78.7	0	0	0	0	114.2	G260	G260-C262 VanDerWaalsContact C-N 3.3Å; G260-C262 PolarHBondContact O-N 2.86Å
263	N	42.5	Very low	41.7	Very low	127 Å²	127	103.8 Å²	103.8	68%	0.679	60%	0.595	S	S	*	*			trans	-100.1	118.7	164.2	-84.8	-10.4	0	0	0	109.9
264	M	45.5	Very low	41.1	Very low	79 Å²	79	106 Å²	106	39%	0.389	61%	0.608	S	S	.	*			trans	-142.7	118.1	175.1	-67.9	174.5	64.6	0	0	109.5	F293	M264-F293 HydrophobicContact CE-CB 3.69Å; M264-F293 HydrophobicContact CE-CD1 3.86Å; M264-F293 HydrophobicContact CE-CG 3.82Å
265	D	47.5	Very low	40.7	Very low	100 Å²	100	106.8 Å²	106.8	54%	0.535	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.9	142.2	170.9	-67.8	-55.3	0	0	0	110.3	F293 S294	D265-F293 WeakPolarHBondContact O-CA 3.23Å; D265-S294 PolarHBondContact N-O 3.11Å
266	C	48.1	Very low	40	Very low	41 Å²	41	106.7 Å²	106.7	28%	0.277	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.2	111.5	-178.7	178	0	0	0	0	110.6	C252 F293	C252-C266 HydrophobicContact CB-CB 3.95Å; C252-C266 WeakPolarHBondContact CB-SG 3.27Å; C252-C266 WeakPolarHBondContact SG-CB 3.36Å; C252-C266 PolarHBondContact SG-O 3.49Å; C252-C266 CovalentContact SG-SG 2.05Å; C252-C266 PolarHBondContact SG-SG 3.34Å; C266-F293 HydrophobicContact CB-CD1 4.33Å; C266-F293 HydrophobicContact CB-CE1 4.03Å
267	L	51.2	Low	39.7	Very low	102 Å²	102	101.3 Å²	101.3	53%	0.534	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.2	111.4	179.2	-74.4	171.6	0	0	0	111.1	S292	L267-S292 WeakPolarHBondContact CB-OG 3.45Å; L267-S292 PolarHBondContact N-O 3.27Å; L267-S292 PolarHBondContact O-N 3.22Å; L267-S292 PolarHBondContact O-OG 2.86Å; L267-S292 VanDerWaalsContact O-OG 3.08Å
268	P	46.1	Very low	39.4	Very low	64 Å²	64	100.5 Å²	100.5	42%	0.416	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.5	132.9	172.4	31.5	-31.9	0	0	0	111.5	S290	P268-S290 CarbonylContact C-O 3.58Å; P268-S290 VanDerWaalsContact CA-O 3.31Å; P268-S290 WeakPolarHBondContact CA-O 3.24Å
269	T	47.1	Very low	39.1	Very low	69 Å²	69	103.7 Å²	103.7	42%	0.423	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.4	135.7	171	43.9	0	0	0	0	110.4	S290	T269-S290 PolarHBondContact N-O 3.11Å; T269-S290 WeakPolarHBondContact O-CA 3.31Å; T269-S290 WeakPolarHBondContact O-CB 3.39Å; T269-S290 PolarHBondContact O-N 3.05Å
270	V	44	Very low	39	Very low	50 Å²	50	107.4 Å²	107.4	30%	0.303	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.4	115.6	177.3	-178.6	0	0	0	0	108.9	T272 V287 T288 V289	V270-T272 HydrophobicContact CG1-CG2 4.42Å; V270-V287 HydrophobicContact CG1-CG1 3.55Å; V270-T288 WeakPolarHBondContact CA-O 3.49Å; V270-V289 HydrophobicContact CG2-CG1 4.41Å; V270-V289 HydrophobicContact CG2-CG2 4.47Å
271	E	45.4	Very low	38.8	Very low	86 Å²	86	110 Å²	110	40%	0.402	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.3	112.8	175.2	-71.4	170.4	176.7	0	0	109	T288 K303	E271-T288 HydrophobicContact CB-CG2 4.43Å; E271-T288 PolarHBondContact N-O 3.45Å; E271-T288 WeakPolarHBondContact O-CB 3.45Å; E271-T288 PolarHBondContact O-N 3.19Å; E271-K303 IonicContact OE1-NZ 3.73Å; E271-K303 PolarHBondContact OE1-NZ 3.45Å; E271-K303 IonicContact OE2-NZ 3.65Å; E271-K303 PolarHBondContact OE2-NZ 2.8Å
272	T	40.6	Very low	38.3	Very low	86 Å²	86	102.2 Å²	102.2	53%	0.528	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.4	108.2	172.2	50.9	0	0	0	0	109.4	V270 V287	V270-T272 HydrophobicContact CG1-CG2 4.42Å; T272-V287 HydrophobicContact CG2-CG1 4.31Å; T272-V287 HydrophobicContact CG2-CG2 4.45Å
273	T	39.1	Very low	37.9	Very low	59 Å²	59	103.9 Å²	103.9	36%	0.362	57%	0.568	S	S	.	*			trans	-118.1	85.4	-165.3	-26.5	0	0	0	0	112.5	Q275 Y286	T273-Q275 HydrophobicContact CG2-CG 4.42Å; T273-Q275 PolarHBondContact O-N 2.86Å; T273-Y286 PolarHBondContact N-O 2.98Å
274	T	35.5	Very low	37.5	Very low	132 Å²	132	103 Å²	103	81%	0.81	56%	0.558	S	S	*	*			trans	-75.1	83.3	176	50	0	0	0	0	112
275	Q	34.6	Very low	37	Very low	158 Å²	158	102.6 Å²	102.6	74%	0.738	56%	0.562	S	S	*	*			trans	-84	117.9	172.4	-71.6	-168.6	-12.5	0	0	111.7	T273	T273-Q275 HydrophobicContact CG2-CG 4.42Å; T273-Q275 PolarHBondContact O-N 2.86Å
276	K	28	Very low	36.5	Very low	208 Å²	208	101.6 Å²	101.6	90%	0.904	55%	0.551	S	S	*	*			trans	-67.8	133.7	165.5	-72	-173.9	172.6	-173.3	0	109.9
277	G	29.6	Very low	36	Very low	53 Å²	53	99.9 Å²	99.9	55%	0.546	54%	0.539	S	S	.	.			trans	-149.7	104.5	-175	0	0	0	0	0	116.7	R279	G277-R279 PolarHBondContact O-N 3.31Å
278	G	29.4	Very low	35.6	Very low	87 Å²	87	96 Å²	96	90%	0.897	52%	0.52	S	S	*	.	S	Bend	trans	96	-59.5	146.9	0	0	0	0	0	117.9
279	R	28.4	Very low	35.4	Very low	207 Å²	207	93.1 Å²	93.1	78%	0.781	50%	0.501	S	S	*	.	S	Bend	trans	-137.4	161.3	-177.2	-76.4	-174.5	173.2	-176.4	-5.5	111.3	G277	G277-R279 PolarHBondContact O-N 3.31Å
280	E	28.1	Very low	35.3	Very low	182 Å²	182	89.9 Å²	89.9	85%	0.85	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	146.2	177.8	-63.2	174.6	139.8	0	0	110.3	A282	E280-A282 PolarHBondContact O-N 3.46Å
281	N	29.1	Very low	35.5	Very low	122 Å²	122	88.4 Å²	88.4	65%	0.652	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	-8.3	-179.9	-52	-17.9	0	0	0	119.2	E221 H222 F283	E221-N281 WeakPolarHBondContact CG-O 3.25Å; H222-N281 PolarHBondContact CE1-O 3.42Å; H222-N281 VanDerWaalsContact CE1-O 3.29Å; H222-N281 PolarHBondContact ND1-O 2.94Å; N281-F283 PolarHBondContact O-N 3.25Å
282	A	27.2	Very low	35.5	Very low	41 Å²	41	86 Å²	86	34%	0.339	46%	0.463	S	S	.	.			trans	-85.9	109	-178.9	0	0	0	0	0	114.9	E221 E280	E221-A282 VanDerWaalsContact OE2-CA 3.31Å; E221-A282 WeakPolarHBondContact OE2-CA 3.38Å; E221-A282 WeakPolarHBondContact OE2-CB 3.33Å; E280-A282 PolarHBondContact O-N 3.46Å
283	F	28.9	Very low	35.9	Very low	129 Å²	129	82.9 Å²	82.9	57%	0.566	44%	0.442	S	S	*	.			trans	-108.9	147.2	166.3	-79.2	-67.4	0	0	0	111.9	H222 N281	H222-F283 AromaticContact CE1-CD2 3.69Å; N281-F283 PolarHBondContact O-N 3.25Å
284	K	35.1	Very low	36.2	Very low	109 Å²	109	82.1 Å²	82.1	47%	0.474	44%	0.439	S	S	.	.			trans	-138.8	109.8	172.8	-67	-166.8	-179.1	-171.8	0	111.4	Y286	K284-Y286 HydrophobicContact CB-CD2 4.22Å; K284-Y286 HydrophobicContact CB-CE2 3.78Å; K284-Y286 HydrophobicContact CD-CE2 3.95Å; K284-Y286 VanDerWaalsContact CD-OH 3.26Å; K284-Y286 WeakPolarHBondContact CD-OH 3.34Å; K284-Y286 PolarHBondContact O-N 3.31Å
285	P	33.6	Very low	36.5	Very low	70 Å²	70	80.3 Å²	80.3	46%	0.455	42%	0.424	S	S	.	.			trans	-77.8	114.1	169.8	30.5	-31.1	0	0	0	109.7
286	Y	38.3	Very low	36.9	Very low	78 Å²	78	78.5 Å²	78.5	31%	0.306	42%	0.42	S	S	.	.			trans	-111.9	112.9	168.9	-62.5	-73.7	0	0	0	109.2	T273 K284	T273-Y286 PolarHBondContact N-O 2.98Å; K284-Y286 HydrophobicContact CB-CD2 4.22Å; K284-Y286 HydrophobicContact CB-CE2 3.78Å; K284-Y286 HydrophobicContact CD-CE2 3.95Å; K284-Y286 VanDerWaalsContact CD-OH 3.26Å; K284-Y286 WeakPolarHBondContact CD-OH 3.34Å; K284-Y286 PolarHBondContact O-N 3.31Å
287	V	37.4	Very low	37.6	Very low	5 Å²	5	75.3 Å²	75.3	3%	0.03	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114	162.7	-168.5	0	0	0	0	107.7	V247 V270 T272 T308	V247-V287 HydrophobicContact CB-CG1 4.34Å; V247-V287 HydrophobicContact CG1-CG1 3.94Å; V270-V287 HydrophobicContact CG1-CG1 3.55Å; T272-V287 HydrophobicContact CG2-CG1 4.31Å; T272-V287 HydrophobicContact CG2-CG2 4.45Å; V287-T308 HydrophobicContact CB-CG2 3.8Å; V287-T308 VanDerWaalsContact CB-OG1 3.32Å; V287-T308 WeakPolarHBondContact CB-OG1 3.49Å; V287-T308 HydrophobicContact CG1-CG2 4.42Å; V287-T308 PolarHBondContact N-OG1 3.17Å; V287-T308 PolarHBondContact O-N 3.13Å; V287-T308 PolarHBondContact O-OG1 3.44Å; V287-T308 VanDerWaalsContact O-OG1 3.11Å
288	T	42.5	Very low	37.9	Very low	21 Å²	21	83.8 Å²	83.8	13%	0.129	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	101.1	178.8	-68.1	0	0	0	0	109	V270 E271 T305	V270-T288 WeakPolarHBondContact CA-O 3.49Å; E271-T288 HydrophobicContact CB-CG2 4.43Å; E271-T288 PolarHBondContact N-O 3.45Å; E271-T288 WeakPolarHBondContact O-CB 3.45Å; E271-T288 PolarHBondContact O-N 3.19Å; T288-T305 HydrophobicContact CG2-CG2 3.78Å
289	V	42.3	Very low	38.2	Very low	4 Å²	4	87.3 Å²	87.3	2%	0.024	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	121.7	171.7	-168.3	0	0	0	0	108.1	V247 L250 V270 W291 I306	V247-V289 HydrophobicContact CG1-CG2 3.78Å; L250-V289 HydrophobicContact CD1-CG1 4.31Å; L250-V289 HydrophobicContact CD1-CG2 4.4Å; V270-V289 HydrophobicContact CG2-CG1 4.41Å; V270-V289 HydrophobicContact CG2-CG2 4.47Å; V289-W291 HydrophobicContact CB-CH2 3.95Å; V289-W291 HydrophobicContact CB-CZ3 4.07Å; V289-W291 HydrophobicContact CG1-CE3 4.36Å; V289-W291 HydrophobicContact CG1-CH2 3.3Å; V289-W291 HydrophobicContact CG1-CZ2 3.64Å; V289-W291 HydrophobicContact CG1-CZ3 3.7Å; V289-I306 PolarHBondContact N-O 2.97Å; V289-I306 PolarHBondContact O-N 2.85Å
290	S	44.4	Very low	38.6	Very low	1 Å²	1	82.2 Å²	82.2	1%	0.007	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.7	-174.2	-56.8	0	0	0	0	110.1	P268 T269 K303 Q304	P268-S290 CarbonylContact C-O 3.58Å; P268-S290 VanDerWaalsContact CA-O 3.31Å; P268-S290 WeakPolarHBondContact CA-O 3.24Å; T269-S290 PolarHBondContact N-O 3.11Å; T269-S290 WeakPolarHBondContact O-CA 3.31Å; T269-S290 WeakPolarHBondContact O-CB 3.39Å; T269-S290 PolarHBondContact O-N 3.05Å; S290-K303 WeakPolarHBondContact OG-CE 3.41Å; S290-Q304 WeakPolarHBondContact CA-O 3.35Å
291	W	48	Very low	39.2	Very low	19 Å²	19	77.7 Å²	77.7	7%	0.072	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.6	162.5	-62.9	-95.8	0	0	0	109	V289 F293 K303 Q304 I306	V289-W291 HydrophobicContact CB-CH2 3.95Å; V289-W291 HydrophobicContact CB-CZ3 4.07Å; V289-W291 HydrophobicContact CG1-CE3 4.36Å; V289-W291 HydrophobicContact CG1-CH2 3.3Å; V289-W291 HydrophobicContact CG1-CZ2 3.64Å; V289-W291 HydrophobicContact CG1-CZ3 3.7Å; W291-F293 HydrophobicContact CB-CE2 4.05Å; W291-F293 HydrophobicContact CB-CZ 4.08Å; W291-K303 CarbonylContact O-C 3.46Å; W291-K303 WeakPolarHBondContact O-CA 3.29Å; W291-Q304 HydrophobicContact CB-CB 4.39Å; W291-Q304 HydrophobicContact CE3-CB 4.44Å; W291-Q304 HydrophobicContact CE3-CG 4.41Å; W291-Q304 PolarHBondContact N-O 2.78Å; W291-Q304 VanDerWaalsContact N-O 3.08Å; W291-Q304 PolarHBondContact O-N 3.26Å; W291-I306 HydrophobicContact CH2-CD1 3.81Å; W291-I306 HydrophobicContact CH2-CG1 4.38Å; W291-I306 HydrophobicContact CZ3-CB 4.05Å; W291-I306 HydrophobicContact CZ3-CD1 3.59Å; W291-I306 HydrophobicContact CZ3-CG1 3.75Å
292	S	45.2	Very low	39.7	Very low	35 Å²	35	75 Å²	75	25%	0.245	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	134.5	176.3	56.5	0	0	0	0	110.4	L267 K302	L267-S292 WeakPolarHBondContact CB-OG 3.45Å; L267-S292 PolarHBondContact N-O 3.27Å; L267-S292 PolarHBondContact O-N 3.22Å; L267-S292 PolarHBondContact O-OG 2.86Å; L267-S292 VanDerWaalsContact O-OG 3.08Å; S292-K302 WeakPolarHBondContact CA-O 3.41Å
293	F	49.4	Very low	40.3	Very low	20 Å²	20	77.8 Å²	77.8	9%	0.088	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.4	-178.4	-57.9	-83.4	0	0	0	110.8	M264 D265 C266 W291 I301 K302 Q304	M264-F293 HydrophobicContact CE-CB 3.69Å; M264-F293 HydrophobicContact CE-CD1 3.86Å; M264-F293 HydrophobicContact CE-CG 3.82Å; D265-F293 WeakPolarHBondContact O-CA 3.23Å; C266-F293 HydrophobicContact CB-CD1 4.33Å; C266-F293 HydrophobicContact CB-CE1 4.03Å; W291-F293 HydrophobicContact CB-CE2 4.05Å; W291-F293 HydrophobicContact CB-CZ 4.08Å; F293-I301 PolarHBondContact O-N 3Å; F293-I301 VanDerWaalsContact O-N 3.1Å; F293-K302 PolarHBondContact N-O 3.48Å; F293-Q304 HydrophobicContact CE2-CB 4.44Å
294	S	45.7	Very low	40.7	Very low	43 Å²	43	75.2 Å²	75.2	30%	0.301	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.1	-177	53.4	0	0	0	0	113.1	D265	D265-S294 PolarHBondContact N-O 3.11Å
295	N	41.3	Very low	40.9	Very low	95 Å²	95	73.6 Å²	73.6	51%	0.508	37%	0.371	S	S	.	.			trans	-111.9	158.5	165.7	-168.3	-2.4	0	0	0	109.3	N297 I301	N295-N297 PolarHBondContact O-N 2.99Å; N295-I301 HydrophobicContact CB-CD1 3.85Å
296	N	44	Very low	41.2	Very low	119 Å²	119	73.6 Å²	73.6	64%	0.636	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	97.2	-172	-80.9	-65.5	0	0	0	113.3
297	N	42.6	Very low	41.1	Very low	142 Å²	142	75 Å²	75	76%	0.759	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	62.5	170.1	-49	-76.1	0	0	0	118	N295	N295-N297 PolarHBondContact O-N 2.99Å
298	R	35.5	Very low	41	Very low	231 Å²	231	76.4 Å²	76.4	87%	0.872	38%	0.384	S	S	*	.	S	Bend		154.9	145.5	128.1	-80.6	149.9	-169.2	-178.1	2.9	111.9
299	Q	35.7	Very low	40.3	Very low	160 Å²	160	78.4 Å²	78.4	75%	0.748	40%	0.402	S	S	*	.			trans	65.1	134.5	-176.8	-59.6	-72.2	3	0	0	115
300	P	36	Very low	39.6	Very low	100 Å²	100	83.3 Å²	83.3	65%	0.649	43%	0.425	S	S	*	.			trans	-75.9	126.6	167.7	31.2	-31.3	0	0	0	109.6
301	I	41.1	Very low	38.6	Very low	87 Å²	87	88 Å²	88	45%	0.446	45%	0.453	S	S	.	.			trans	-84.7	-28.7	-167.9	-62	176.8	0	0	0	112.1	F293 N295	F293-I301 PolarHBondContact O-N 3Å; F293-I301 VanDerWaalsContact O-N 3.1Å; N295-I301 HydrophobicContact CB-CD1 3.85Å
302	K	40.1	Very low	37.6	Very low	67 Å²	67	92.3 Å²	92.3	29%	0.291	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	155.7	163.9	-103.5	127.1	-143.3	-175	0	113.3	S292 F293 M357 F358	S292-K302 WeakPolarHBondContact CA-O 3.41Å; F293-K302 PolarHBondContact N-O 3.48Å; K302-M357 WeakPolarHBondContact CE-O 3.35Å; K302-M357 PolarHBondContact NZ-O 3.34Å; K302-F358 HydrophobicContact CD-CD1 3.88Å; K302-F358 HydrophobicContact CD-CD2 4.33Å; K302-F358 HydrophobicContact CD-CE1 3.43Å; K302-F358 VanDerWaalsContact CD-CE1 3.43Å; K302-F358 HydrophobicContact CD-CE2 3.92Å; K302-F358 HydrophobicContact CD-CG 4.31Å; K302-F358 HydrophobicContact CD-CZ 3.46Å; K302-F358 VanDerWaalsContact CD-CZ 3.46Å; K302-F358 HydrophobicContact CG-CZ 4.41Å
303	K	39.2	Very low	36.7	Very low	98 Å²	98	93.9 Å²	93.9	43%	0.426	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	108.7	163.3	-178.6	175.5	-178.8	171.8	0	107.1	E271 S290 W291 T305	E271-K303 IonicContact OE1-NZ 3.73Å; E271-K303 PolarHBondContact OE1-NZ 3.45Å; E271-K303 IonicContact OE2-NZ 3.65Å; E271-K303 PolarHBondContact OE2-NZ 2.8Å; S290-K303 WeakPolarHBondContact OG-CE 3.41Å; W291-K303 CarbonylContact O-C 3.46Å; W291-K303 WeakPolarHBondContact O-CA 3.29Å; K303-T305 PolarHBondContact O-N 2.9Å
304	Q	37.5	Very low	35.7	Very low	76 Å²	76	94.3 Å²	94.3	36%	0.355	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	104.6	173.6	-177.1	174.1	6	0	0	108.7	S290 W291 F293	S290-Q304 WeakPolarHBondContact CA-O 3.35Å; W291-Q304 HydrophobicContact CB-CB 4.39Å; W291-Q304 HydrophobicContact CE3-CB 4.44Å; W291-Q304 HydrophobicContact CE3-CG 4.41Å; W291-Q304 PolarHBondContact N-O 2.78Å; W291-Q304 VanDerWaalsContact N-O 3.08Å; W291-Q304 PolarHBondContact O-N 3.26Å; F293-Q304 HydrophobicContact CE2-CB 4.44Å
305	T	39.2	Very low	35	Very low	74 Å²	74	100 Å²	100	45%	0.454	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	108.7	-175.8	-55.3	0	0	0	0	110.5	T288 K303	T288-T305 HydrophobicContact CG2-CG2 3.78Å; K303-T305 PolarHBondContact O-N 2.9Å
306	I	38.9	Very low	34.4	Very low	70 Å²	70	97.5 Å²	97.5	36%	0.359	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	112.6	162.1	-68	-177.2	0	0	0	108.1	V289 W291	V289-I306 PolarHBondContact N-O 2.97Å; V289-I306 PolarHBondContact O-N 2.85Å; W291-I306 HydrophobicContact CH2-CD1 3.81Å; W291-I306 HydrophobicContact CH2-CG1 4.38Å; W291-I306 HydrophobicContact CZ3-CB 4.05Å; W291-I306 HydrophobicContact CZ3-CD1 3.59Å; W291-I306 HydrophobicContact CZ3-CG1 3.75Å
307	K	36.9	Very low	34.1	Very low	107 Å²	107	93.8 Å²	93.8	47%	0.465	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	122.1	165	-58.6	-178.9	-174.7	179.6	0	108	A309 E310	K307-A309 PolarHBondContact O-N 3.06Å; K307-E310 HydrophobicContact CD-CB 4.16Å; K307-E310 WeakPolarHBondContact CD-OE2 3.28Å; K307-E310 IonicContact NZ-OE1 3.49Å; K307-E310 PolarHBondContact NZ-OE1 3.27Å; K307-E310 IonicContact NZ-OE2 2.68Å; K307-E310 PolarHBondContact NZ-OE2 3.47Å
308	T	34.5	Very low	33.9	Very low	36 Å²	36	92.8 Å²	92.8	22%	0.221	46%	0.458	C	S	.	.	S	Bend	trans	-68.1	125.5	161.4	56.9	0	0	0	0	109	V287 E310	V287-T308 HydrophobicContact CB-CG2 3.8Å; V287-T308 VanDerWaalsContact CB-OG1 3.32Å; V287-T308 WeakPolarHBondContact CB-OG1 3.49Å; V287-T308 HydrophobicContact CG1-CG2 4.42Å; V287-T308 PolarHBondContact N-OG1 3.17Å; V287-T308 PolarHBondContact O-N 3.13Å; V287-T308 PolarHBondContact O-OG1 3.44Å; V287-T308 VanDerWaalsContact O-OG1 3.11Å; T308-E310 PolarHBondContact O-N 3.24Å
309	A	28.9	Very low	34	Very low	63 Å²	63	84.8 Å²	84.8	52%	0.521	44%	0.436	S	S	.	.			trans	39.8	72.1	169.8	0	0	0	0	0	114.9	L227 K307 V311	L227-A309 HydrophobicContact CD1-CB 4.15Å; K307-A309 PolarHBondContact O-N 3.06Å; A309-V311 HydrophobicContact CB-CG2 4.43Å; A309-V311 PolarHBondContact O-N 2.99Å
310	E	26.8	Very low	34.3	Very low	106 Å²	106	79.9 Å²	79.9	50%	0.495	42%	0.417	S	S	.	.			trans	-68.8	88.8	158.7	-171.5	154.9	-116.6	0	0	108.2	K307 T308 D312	K307-E310 HydrophobicContact CD-CB 4.16Å; K307-E310 WeakPolarHBondContact CD-OE2 3.28Å; K307-E310 IonicContact NZ-OE1 3.49Å; K307-E310 PolarHBondContact NZ-OE1 3.27Å; K307-E310 IonicContact NZ-OE2 2.68Å; K307-E310 PolarHBondContact NZ-OE2 3.47Å; T308-E310 PolarHBondContact O-N 3.24Å; E310-D312 PolarHBondContact O-N 3.08Å
311	V	25.1	Very low	34.6	Very low	99 Å²	99	76.3 Å²	76.3	60%	0.6	40%	0.396	S	S	*	.			trans	-66.6	86.3	172.8	-178.5	0	0	0	0	107.3	A309 Y313	A309-V311 HydrophobicContact CB-CG2 4.43Å; A309-V311 PolarHBondContact O-N 2.99Å; V311-Y313 HydrophobicContact CB-CE2 4.3Å; V311-Y313 HydrophobicContact CG1-CD2 4.09Å; V311-Y313 HydrophobicContact CG1-CE2 3.87Å; V311-Y313 WeakPolarHBondContact O-CD2 3.29Å; V311-Y313 PolarHBondContact O-N 3.17Å
312	D	26.7	Very low	34.8	Very low	111 Å²	111	75.6 Å²	75.6	59%	0.594	39%	0.39	S	S	*	.			trans	-76.1	95.3	176.4	-164.8	-10.6	0	0	0	110.2	E310 A314	E310-D312 PolarHBondContact O-N 3.08Å; D312-A314 PolarHBondContact O-N 3.2Å; D312-A314 WeakPolarHBondContact OD1-CB 3.33Å; D312-A314 PolarHBondContact OD1-N 2.71Å
313	Y	26	Very low	35.3	Very low	68 Å²	68	73.4 Å²	73.4	27%	0.267	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-56.2	0.3	173.1	-76.6	-92.9	0	0	0	114.5	R218 Y220 V311 W315	R218-Y313 PolarHBondContact NE-O 3.02Å; R218-Y313 PolarHBondContact NH2-O 2.98Å; Y220-Y313 AromaticContact CD1-CD1 3.59Å; Y220-Y313 HydrophobicContact CD1-CD1 3.59Å; Y220-Y313 HydrophobicContact CD1-CD2 4.42Å; Y220-Y313 AromaticContact CD1-CE1 3.51Å; Y220-Y313 HydrophobicContact CD1-CE1 3.51Å; Y220-Y313 HydrophobicContact CD1-CE2 4.36Å; Y220-Y313 HydrophobicContact CD1-CG 4.06Å; Y220-Y313 AromaticContact CD1-CZ 3.91Å; Y220-Y313 HydrophobicContact CD2-CD1 4.42Å; Y220-Y313 AromaticContact CE1-CD1 3.37Å; Y220-Y313 HydrophobicContact CE1-CD1 3.37Å; Y220-Y313 AromaticContact CE1-CD2 3.62Å; Y220-Y313 HydrophobicContact CE1-CD2 3.62Å; Y220-Y313 AromaticContact CE1-CE1 3.67Å; Y220-Y313 HydrophobicContact CE1-CE1 3.67Å; Y220-Y313 AromaticContact CE1-CE2 3.91Å; Y220-Y313 HydrophobicContact CE1-CE2 3.91Å; Y220-Y313 AromaticContact CE1-CG 3.35Å; Y220-Y313 HydrophobicContact CE1-CG 3.35Å; Y220-Y313 AromaticContact CE1-CZ 3.92Å; Y220-Y313 HydrophobicContact CE2-CD1 4.25Å; Y220-Y313 HydrophobicContact CE2-CG 4.39Å; Y220-Y313 HydrophobicContact CG-CD1 4.12Å; Y220-Y313 HydrophobicContact CG-CE1 4.19Å; Y220-Y313 VanDerWaalsContact CZ-CB 3.49Å; Y220-Y313 AromaticContact CZ-CD1 3.74Å; Y220-Y313 AromaticContact CZ-CG 3.55Å; Y220-Y313 WeakPolarHBondContact OH-CB 3.36Å; V311-Y313 HydrophobicContact CB-CE2 4.3Å; V311-Y313 HydrophobicContact CG1-CD2 4.09Å; V311-Y313 HydrophobicContact CG1-CE2 3.87Å; V311-Y313 WeakPolarHBondContact O-CD2 3.29Å; V311-Y313 PolarHBondContact O-N 3.17Å; Y313-W315 PolarHBondContact O-N 3.45Å
314	A	27.1	Very low	36	Very low	28 Å²	28	73.1 Å²	73.1	23%	0.231	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-62.8	-12.6	173.8	0	0	0	0	0	114.8	R218 D312 N317	R218-A314 VanDerWaalsContact NH2-N 3.16Å; D312-A314 PolarHBondContact O-N 3.2Å; D312-A314 WeakPolarHBondContact OD1-CB 3.33Å; D312-A314 PolarHBondContact OD1-N 2.71Å; A314-N317 PolarHBondContact O-ND2 3.02Å; A314-N317 PolarHBondContact O-OD1 2.94Å
315	W	32.1	Very low	36.9	Very low	164 Å²	164	70.7 Å²	70.7	62%	0.621	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-108.1	25.3	-173.2	-89.9	52.7	0	0	0	115.9	Y313 N317	Y313-W315 PolarHBondContact O-N 3.45Å; W315-N317 PolarHBondContact O-N 3.12Å
316	N	29.3	Very low	37.7	Very low	42 Å²	42	69.9 Å²	69.9	23%	0.225	37%	0.369	C	S	.	.			trans	-74.7	7.6	161.7	-86.9	-30.9	0	0	0	113	K217 R218 V219 H318	K217-N316 CarbonylContact O-C 3.55Å; R218-N316 HydrophobicContact CG-CB 4.32Å; V219-N316 PolarHBondContact O-ND2 2.87Å; N316-H318 VanDerWaalsContact C-N 3.34Å; N316-H318 PolarHBondContact O-N 3.3Å
317	N	36.9	Very low	38.8	Very low	41 Å²	41	66.5 Å²	66.5	22%	0.219	35%	0.352	C	S	.	.			trans	-70.1	75	-177.7	-60.2	-0.5	0	0	0	112.5	F170 N216 K217 A314 W315 P319	F170-N317 WeakPolarHBondContact CE1-OD1 3.37Å; F170-N317 VanDerWaalsContact CZ-ND2 3.33Å; F170-N317 WeakPolarHBondContact CZ-ND2 3.14Å; F170-N317 WeakPolarHBondContact CZ-OD1 3.5Å; N216-N317 HydrophobicContact CB-CB 3.72Å; N216-N317 VanDerWaalsContact CB-CG 3.47Å; K217-N317 PolarHBondContact O-N 2.94Å; K217-N317 PolarHBondContact O-OD1 3.5Å; A314-N317 PolarHBondContact O-ND2 3.02Å; A314-N317 PolarHBondContact O-OD1 2.94Å; W315-N317 PolarHBondContact O-N 3.12Å; N317-P319 VanDerWaalsContact O-CD 3.25Å; N317-P319 WeakPolarHBondContact O-CD 3.4Å
318	H	37.8	Very low	39.7	Very low	120 Å²	120	63.6 Å²	63.6	56%	0.556	35%	0.345	S	S	*	.			trans	-62.4	119.3	153.3	-67.5	-89.4	0	0	0	107.8	N316 V320	N316-H318 VanDerWaalsContact C-N 3.34Å; N316-H318 PolarHBondContact O-N 3.3Å; H318-V320 PolarHBondContact O-N 2.9Å
319	P	37.5	Very low	40.7	Very low	63 Å²	63	64.4 Å²	64.4	41%	0.409	35%	0.35	S	S	.	.			trans	-69	104	174.9	27.7	-32.8	0	0	0	108.6	Y214 L215 N317 A321	Y214-P319 HydrophobicContact CD1-CB 4.26Å; L215-P319 CarbonylContact O-C 3.45Å; L215-P319 WeakPolarHBondContact O-CA 3.49Å; N317-P319 VanDerWaalsContact O-CD 3.25Å; N317-P319 WeakPolarHBondContact O-CD 3.4Å; P319-A321 PolarHBondContact O-N 3.06Å
320	V	41.8	Very low	42.1	Very low	58 Å²	58	63.5 Å²	63.5	35%	0.352	34%	0.336	S	S	.	.	S	Bend	trans	-67.9	-27.7	-179.6	-171.4	0	0	0	0	110.6	W130 L215 H318	W130-V320 HydrophobicContact CD2-CG1 4Å; W130-V320 HydrophobicContact CG-CG1 4.09Å; W130-V320 HydrophobicContact CZ2-CG1 4.34Å; L215-V320 PolarHBondContact O-N 2.95Å; H318-V320 PolarHBondContact O-N 2.9Å
321	A	43	Very low	43.3	Very low	25 Å²	25	64.4 Å²	64.4	21%	0.207	34%	0.34	C	S	.	.			trans	-148.9	150.4	163.2	0	0	0	0	0	110.3	F134 Y214 L215 P319	F134-A321 HydrophobicContact CZ-CB 4.01Å; Y214-A321 WeakPolarHBondContact CA-O 3.25Å; L215-A321 PolarHBondContact N-O 2.73Å; P319-A321 PolarHBondContact O-N 3.06Å
322	E	44.9	Very low	44.2	Very low	71 Å²	71	69.2 Å²	69.2	33%	0.332	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.3	162	178.5	-169.6	153.8	0	0	107.5	R212 V213 Y214	R212-E322 VanDerWaalsContact CD-OE1 3.26Å; R212-E322 WeakPolarHBondContact CD-OE1 3.48Å; R212-E322 HydrophobicContact CG-CG 4.26Å; R212-E322 IonicContact CZ-OE1 3.92Å; R212-E322 IonicContact NE-OE1 2.92Å; R212-E322 PolarHBondContact NE-OE1 2.72Å; R212-E322 IonicContact NH2-OE1 2.65Å; V213-E322 WeakPolarHBondContact O-CA 3.34Å; Y214-E322 HydrophobicContact CD1-CB 4.17Å; Y214-E322 HydrophobicContact CD1-CG 4.06Å; Y214-E322 HydrophobicContact CE1-CB 4.45Å; Y214-E322 HydrophobicContact CE1-CG 3.92Å
323	F	52	Low	44.7	Very low	22 Å²	22	71.3 Å²	71.3	10%	0.096	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	141.1	170.6	47.7	-77	0	0	0	111.8	I136 R212 V213 L215 V325 L339	I136-F323 HydrophobicContact CD1-CE1 3.78Å; I136-F323 HydrophobicContact CD1-CE2 3.89Å; I136-F323 HydrophobicContact CD1-CZ 3.27Å; R212-F323 CarbonylContact C-O 3.53Å; R212-F323 WeakPolarHBondContact CA-O 3.04Å; V213-F323 HydrophobicContact CB-CD1 4.36Å; V213-F323 HydrophobicContact CB-CD2 3.89Å; V213-F323 HydrophobicContact CB-CE1 3.95Å; V213-F323 HydrophobicContact CB-CE2 3.45Å; V213-F323 VanDerWaalsContact CB-CE2 3.45Å; V213-F323 HydrophobicContact CB-CG 4.32Å; V213-F323 HydrophobicContact CB-CZ 3.47Å; V213-F323 VanDerWaalsContact CB-CZ 3.47Å; V213-F323 HydrophobicContact CG1-CE1 4.09Å; V213-F323 HydrophobicContact CG1-CE2 3.83Å; V213-F323 HydrophobicContact CG1-CZ 3.45Å; V213-F323 VanDerWaalsContact CG1-CZ 3.45Å; V213-F323 HydrophobicContact CG2-CD2 4.09Å; V213-F323 HydrophobicContact CG2-CE2 3.74Å; V213-F323 HydrophobicContact CG2-CZ 4.24Å; V213-F323 PolarHBondContact N-O 2.94Å; V213-F323 PolarHBondContact O-N 3.22Å; L215-F323 HydrophobicContact CD1-CE1 4.24Å; L215-F323 HydrophobicContact CG-CE1 4.37Å; F323-V325 HydrophobicContact CD2-CG2 4.13Å; F323-L339 HydrophobicContact CB-CD2 4.02Å; F323-L339 HydrophobicContact CG-CD2 4.49Å
324	N	52.6	Low	45.1	Very low	92 Å²	92	71 Å²	71	49%	0.492	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.4	177.4	-73.3	-62.1	0	0	0	110	S176 T210 L211 R212	S176-N324 PolarHBondContact OG-OD1 3.1Å; T210-N324 HydrophobicContact CG2-CB 3.72Å; L211-N324 CarbonylContact O-C 3.56Å; L211-N324 WeakPolarHBondContact O-CA 3.37Å; R212-N324 VanDerWaalsContact CG-OD1 3.22Å; R212-N324 WeakPolarHBondContact CG-OD1 3.34Å
325	V	57.9	Low	45.6	Very low	25 Å²	25	75.6 Å²	75.6	15%	0.152	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	110.7	173.1	-177	0	0	0	0	108.2	L211 V213 F323 I330	L211-V325 PolarHBondContact N-O 3.04Å; L211-V325 PolarHBondContact O-N 3.34Å; V213-V325 HydrophobicContact CG2-CG2 4.35Å; F323-V325 HydrophobicContact CD2-CG2 4.13Å; V325-I330 HydrophobicContact CG1-CD1 4.35Å; V325-I330 HydrophobicContact CG1-CG1 4.28Å
326	T	56	Low	45.9	Very low	56 Å²	56	71.9 Å²	71.9	34%	0.344	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	135.2	168.7	37.2	0	0	0	0	109.8	T210 S328 T329	T210-T326 HydrophobicContact CG2-CG2 4.42Å; T326-S328 PolarHBondContact O-N 3.35Å; T326-T329 WeakPolarHBondContact O-CB 3.45Å; T326-T329 PolarHBondContact O-N 2.91Å; T326-T329 PolarHBondContact O-OG1 3.23Å; T326-T329 PolarHBondContact OG1-OG1 2.93Å
327	T	61.6	Low	46.3	Very low	0 Å²	0	73.1 Å²	73.1	0%	0	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-70.8	-14.1	-178.9	54.2	0	0	0	0	113.8	Y204 L205 R208 C209 L211 T329 I330 E331	Y204-T327 WeakPolarHBondContact O-CB 3.27Å; Y204-T327 WeakPolarHBondContact O-CG2 3.44Å; Y204-T327 PolarHBondContact O-OG1 2.96Å; L205-T327 HydrophobicContact CD2-CG2 4.04Å; R208-T327 WeakPolarHBondContact CA-OG1 3.34Å; C209-T327 PolarHBondContact N-OG1 3.31Å; C209-T327 PolarHBondContact O-N 3.09Å; C209-T327 PolarHBondContact O-OG1 2.69Å; L211-T327 HydrophobicContact CD1-CG2 3.67Å; L211-T327 HydrophobicContact CG-CG2 4.01Å; T327-T329 PolarHBondContact O-N 2.82Å; T327-I330 HydrophobicContact CG2-CD1 3.92Å; T327-I330 WeakPolarHBondContact O-CA 3.47Å; T327-I330 WeakPolarHBondContact O-CB 3.15Å; T327-I330 PolarHBondContact O-N 2.98Å; T327-E331 PolarHBondContact O-N 3.34Å; T327-E331 VanDerWaalsContact O-N 3.15Å
328	S	56.2	Low	46.2	Very low	45 Å²	45	77.8 Å²	77.8	32%	0.315	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-62.2	-19.8	164	53.8	0	0	0	0	114.5	T326 I330	T326-S328 PolarHBondContact O-N 3.35Å; S328-I330 VanDerWaalsContact C-N 3.34Å
329	T	55.1	Low	45.9	Very low	53 Å²	53	75.6 Å²	75.6	33%	0.325	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-85.3	-6.3	169.9	5	0	0	0	0	113	T326 T327	T326-T329 WeakPolarHBondContact O-CB 3.45Å; T326-T329 PolarHBondContact O-N 2.91Å; T326-T329 PolarHBondContact O-OG1 3.23Å; T326-T329 PolarHBondContact OG1-OG1 2.93Å; T327-T329 PolarHBondContact O-N 2.82Å
330	I	57	Low	45.5	Very low	44 Å²	44	82.1 Å²	82.1	23%	0.226	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-34.9	173.3	-52.6	-179.7	0	0	0	110.1	L141 F200 L205 V325 T327 S328 R332	L141-I330 HydrophobicContact CD1-CG2 4.48Å; L141-I330 HydrophobicContact CD2-CG2 3.65Å; F200-I330 HydrophobicContact CZ-CD1 4.24Å; L205-I330 HydrophobicContact CD2-CB 4.07Å; L205-I330 HydrophobicContact CD2-CD1 4.21Å; L205-I330 HydrophobicContact CD2-CG2 4Å; V325-I330 HydrophobicContact CG1-CD1 4.35Å; V325-I330 HydrophobicContact CG1-CG1 4.28Å; T327-I330 HydrophobicContact CG2-CD1 3.92Å; T327-I330 WeakPolarHBondContact O-CA 3.47Å; T327-I330 WeakPolarHBondContact O-CB 3.15Å; T327-I330 PolarHBondContact O-N 2.98Å; S328-I330 VanDerWaalsContact C-N 3.34Å; I330-R332 PolarHBondContact O-N 3.19Å
331	E	52.7	Low	45	Very low	125 Å²	125	84.8 Å²	84.8	58%	0.584	46%	0.461	S	S	*	.	S	Bend	trans	-60.6	-23.1	173.7	-64.5	-177.3	124.5	0	0	114.1	T327	T327-E331 PolarHBondContact O-N 3.34Å; T327-E331 VanDerWaalsContact O-N 3.15Å
332	R	44.4	Very low	44.3	Very low	200 Å²	200	93.7 Å²	93.7	76%	0.755	50%	0.496	S	S	*	.	S	Bend	trans	-113.5	128.4	178.7	-65.6	-175.9	178.7	-172.3	0	109.7	I330 S334	I330-R332 PolarHBondContact O-N 3.19Å; R332-S334 PolarHBondContact O-N 2.99Å
333	T	37.2	Very low	43.5	Very low	156 Å²	156	94.5 Å²	94.5	96%	0.957	52%	0.515	S	S	*	.			trans	-69.6	66.4	-177.6	40.6	0	0	0	0	113.3
334	S	34.7	Very low	42.3	Very low	62 Å²	62	102.8 Å²	102.8	43%	0.434	55%	0.55	S	S	.	*			trans	-86.3	116.4	172.8	59.2	0	0	0	0	110.4	R332 S336	R332-S334 PolarHBondContact O-N 2.99Å; S334-S336 PolarHBondContact O-N 2.87Å
335	S	36.9	Very low	41.1	Very low	124 Å²	124	103.6 Å²	103.6	87%	0.867	55%	0.553	S	S	*	*	S	Bend	trans	-79.4	5.1	-172.1	44.9	0	0	0	0	115.1
336	S	38.8	Very low	39.6	Very low	86 Å²	86	108.8 Å²	108.8	60%	0.601	57%	0.574	S	S	*	*			trans	-161.1	140.7	177.9	54.3	0	0	0	0	111.4	S334	S334-S336 PolarHBondContact O-N 2.87Å
337	I	37.3	Very low	38.2	Very low	68 Å²	68	107.9 Å²	107.9	35%	0.349	58%	0.576	S	S	.	*			trans	-117.2	120.3	168.3	-61.4	174.7	0	0	0	107.7	L339	I337-L339 HydrophobicContact CG2-CD2 4.18Å
338	D	35.3	Very low	36.6	Very low	138 Å²	138	109 Å²	109	74%	0.738	58%	0.584	S	S	*	*			trans	-82.7	136.5	175.3	-75.9	-53.2	0	0	0	111.3
339	L	31.3	Very low	35.2	Very low	74 Å²	74	109.7 Å²	109.7	39%	0.387	58%	0.581	S	S	.	*			trans	-117.2	141	-174	-62	175.7	0	0	0	112.1	F134 F323 I337	F134-L339 HydrophobicContact CE2-CD1 4.29Å; F323-L339 HydrophobicContact CB-CD2 4.02Å; F323-L339 HydrophobicContact CG-CD2 4.49Å; I337-L339 HydrophobicContact CG2-CD2 4.18Å
340	Y	29.7	Very low	33.7	Very low	201 Å²	201	115.5 Å²	115.5	79%	0.788	60%	0.599	S	S	*	*			trans	-124.3	138.5	176.6	-67.8	-93.5	0	0	0	110.4
341	P	30.2	Very low	32.2	Very low	113 Å²	113	119.3 Å²	119.3	73%	0.734	62%	0.616	S	S	*	*			trans	-78.9	132.6	-180	31.2	-33.8	0	0	0	112.2
342	F	28.4	Very low	30.9	Very low	213 Å²	213	122.5 Å²	122.5	93%	0.934	63%	0.628	S	S	*	*			trans	-126	158.2	164.1	-101.5	-95.5	0	0	0	109.3
343	A	28.2	Very low	30	Very low	88 Å²	88	120.7 Å²	120.7	73%	0.727	63%	0.628	S	S	*	*			trans	-129.2	154.2	-169	0	0	0	0	0	113.8
344	K	26.5	Very low	29.4	Very low	196 Å²	196	119 Å²	119	85%	0.852	62%	0.617	S	S	*	*			trans	86.7	104.6	162.2	-144	171	-166	171.3	0	117
345	I	28.1	Very low	29	Very low	108 Å²	108	121 Å²	121	55%	0.554	63%	0.63	S	S	*	*			trans	-113.2	151.4	166	-55.4	171.2	0	0	0	107.5
346	K	26.1	Very low	28.4	Very low	134 Å²	134	118.1 Å²	118.1	58%	0.583	61%	0.613	S	S	*	*			trans	-122.3	124.2	159	-91.7	-162.4	164.1	-163.6	0	108.7	E50	E50-K346 CarbonylContact O-C 3.45Å
347	G	26.9	Very low	27.8	Very low	38 Å²	38	121.3 Å²	121.3	39%	0.392	62%	0.621	S	S	.	*			trans	-175.4	90.9	-164.6	0	0	0	0	0	121.4	E50	E50-G347 VanDerWaalsContact C-CA 3.45Å; E50-G347 VanDerWaalsContact CB-C 3.41Å; E50-G347 WeakPolarHBondContact O-CA 2.93Å; E50-G347 PolarHBondContact O-N 2.93Å
348	S	27	Very low	27.5	Very low	23 Å²	23	122.9 Å²	122.9	16%	0.161	63%	0.625	C	S	.	*			trans	-144.5	123.5	138.1	-41.9	0	0	0	0	116.2	E50 I51 S52	E50-S348 VanDerWaalsContact CB-CA 3.48Å; E50-S348 VanDerWaalsContact CB-N 3.26Å; E50-S348 VanDerWaalsContact OE1-CA 3.25Å; E50-S348 WeakPolarHBondContact OE1-CA 3.25Å; I51-S348 CarbonylContact C-O 2.85Å; I51-S348 VanDerWaalsContact CA-N 3.29Å; I51-S348 WeakPolarHBondContact CA-O 3.47Å; I51-S348 PolarHBondContact N-O 2.92Å; S52-S348 WeakPolarHBondContact CB-OG 3.21Å
349	F	26.9	Very low	27.2	Very low	60 Å²	60	122.6 Å²	122.6	26%	0.263	62%	0.624	S	S	.	*			trans	-141.4	137.5	169.7	-93.4	-51.4	0	0	0	111.7	I48 E50	I48-F349 HydrophobicContact CB-CD2 4.16Å; I48-F349 HydrophobicContact CB-CE2 4.16Å; I48-F349 HydrophobicContact CG2-CD2 3.8Å; I48-F349 HydrophobicContact CG2-CE2 3.52Å; E50-F349 VanDerWaalsContact CA-CD2 3.4Å; E50-F349 HydrophobicContact CB-CB 4.4Å; E50-F349 HydrophobicContact CG-CB 4.17Å; E50-F349 PolarHBondContact OE1-N 3.19Å
350	Y	25	Very low	27.3	Very low	175 Å²	175	127 Å²	127	69%	0.686	65%	0.648	S	S	*	*			trans	-94.1	156.3	-168.4	-57.5	-87.5	0	0	0	116	K47	K47-Y350 PolarHBondContact NZ-O 2.99Å
351	E	24.7	Very low	27.6	Very low	124 Å²	124	121.7 Å²	121.7	58%	0.579	64%	0.639	S	S	*	*			trans	-123.7	124	168.7	-172.3	84	-100.1	0	0	110.4	K47	K47-E351 WeakPolarHBondContact CD-OE2 3.42Å; K47-E351 WeakPolarHBondContact CE-OE2 3.24Å; K47-E351 VanDerWaalsContact NZ-CA 3.31Å; K47-E351 IonicContact NZ-OE1 3.47Å; K47-E351 PolarHBondContact NZ-OE1 3.49Å; K47-E351 IonicContact NZ-OE2 3.53Å; K47-E351 PolarHBondContact NZ-OE2 2.87Å
352	F	24.7	Very low	28	Very low	192 Å²	192	126.4 Å²	126.4	84%	0.842	65%	0.648	S	S	*	*			trans	-86.3	117.7	165.9	-79.3	-98.4	0	0	0	108.7
353	Q	25.4	Very low	28.5	Very low	162 Å²	162	124.5 Å²	124.5	76%	0.757	64%	0.642	S	S	*	*			trans	-113.7	104.9	173.9	-158.8	174.4	14.4	0	0	109.7	C355	Q353-C355 PolarHBondContact O-N 3.46Å
354	V	25.6	Very low	29	Very low	119 Å²	119	128.8 Å²	128.8	72%	0.721	65%	0.647	S	S	*	*			trans	-88	94.3	174.9	-179.8	0	0	0	0	108.3	A356	V354-A356 PolarHBondContact O-N 3.08Å
355	C	25	Very low	29.6	Very low	105 Å²	105	123.2 Å²	123.2	71%	0.709	63%	0.63	S	S	*	*			trans	-79.1	112.8	178.6	-64.3	0	0	0	0	110.9	Q353	Q353-C355 PolarHBondContact O-N 3.46Å
356	A	26	Very low	30.3	Very low	63 Å²	63	121.6 Å²	121.6	52%	0.521	62%	0.623	S	S	.	*			trans	-125.8	110.1	172.5	0	0	0	0	0	109.6	V354 F358	V354-A356 PolarHBondContact O-N 3.08Å; A356-F358 HydrophobicContact CB-CD2 4.39Å; A356-F358 HydrophobicContact CB-CE2 4.29Å
357	M	25.5	Very low	31	Very low	154 Å²	154	122.1 Å²	122.1	76%	0.759	62%	0.621	S	S	*	*			trans	-94.8	125.9	177.1	-66.6	174.3	66.1	0	0	110.6	K302	K302-M357 WeakPolarHBondContact CE-O 3.35Å; K302-M357 PolarHBondContact NZ-O 3.34Å
358	F	30.1	Very low	31.4	Very low	101 Å²	101	125.3 Å²	125.3	44%	0.443	64%	0.637	S	S	.	*			trans	-140.3	97.9	177.2	-79.9	-97.3	0	0	0	113	K302 A356	K302-F358 HydrophobicContact CD-CD1 3.88Å; K302-F358 HydrophobicContact CD-CD2 4.33Å; K302-F358 HydrophobicContact CD-CE1 3.43Å; K302-F358 VanDerWaalsContact CD-CE1 3.43Å; K302-F358 HydrophobicContact CD-CE2 3.92Å; K302-F358 HydrophobicContact CD-CG 4.31Å; K302-F358 HydrophobicContact CD-CZ 3.46Å; K302-F358 VanDerWaalsContact CD-CZ 3.46Å; K302-F358 HydrophobicContact CG-CZ 4.41Å; A356-F358 HydrophobicContact CB-CD2 4.39Å; A356-F358 HydrophobicContact CB-CE2 4.29Å
359	D	28.9	Very low	31.9	Very low	132 Å²	132	133.3 Å²	133.3	71%	0.706	66%	0.664	S	S	*	*			trans	-75	159.4	157.1	-48.8	-74.6	0	0	0	111.4
360	D	34.3	Very low	32.1	Very low	167 Å²	167	133.6 Å²	133.6	89%	0.893	67%	0.671	S	S	*	*			trans	55.8	53.3	169.4	-72.4	-16.6	0	0	0	117.7
361	C	36.2	Very low	32.4	Very low	88 Å²	88	129 Å²	129	60%	0.595	66%	0.662	S	S	*	*			trans	-121	139.8	150.6	-75.8	0	0	0	0	109.5
362	K	39.5	Very low	32.9	Very low	212 Å²	212	132.6 Å²	132.6	92%	0.922	68%	0.676	S	S	*	*	S	Bend	trans	-79.1	-20.1	-169.4	-75.9	-174.9	178.2	176.5	0	115.1
363	E	38.7	Very low	33.1	Very low	173 Å²	173	130.1 Å²	130.1	81%	0.808	67%	0.671	S	S	*	*	S	Bend	trans	-136.5	145.1	174.6	-62	-170.6	157.7	0	0	108.3
364	E	37.8	Very low	33.3	Very low	178 Å²	178	127.1 Å²	127.1	83%	0.832	67%	0.665	S	S	*	*			trans	-72.7	130.4	174.9	-75.2	-167.3	112.5	0	0	110.7
365	P	38.7	Very low	33.5	Very low	79 Å²	79	126.2 Å²	126.2	51%	0.513	66%	0.655	S	S	.	*			trans	-58.7	142.6	163.6	-22.2	33.8	0	0	0	110.8	W367	P365-W367 VanDerWaalsContact C-N 3.28Å; P365-W367 PolarHBondContact O-N 3.2Å
366	D	43.2	Very low	33.7	Very low	74 Å²	74	126.1 Å²	126.1	40%	0.396	65%	0.646	S	S	.	*			trans	-71.9	81.6	177.8	-174.5	-5.5	0	0	0	111.4	S368 R369	D366-S368 PolarHBondContact O-N 2.88Å; D366-S368 VanDerWaalsContact OD1-CB 3.24Å; D366-S368 WeakPolarHBondContact OD1-CB 3.48Å; D366-S368 PolarHBondContact OD1-N 3.29Å; D366-S368 VanDerWaalsContact OD1-N 3.1Å; D366-S368 PolarHBondContact OD1-OG 3.46Å; D366-R369 HydrophobicContact CB-CG 4.29Å; D366-R369 WeakPolarHBondContact O-CB 3.36Å; D366-R369 PolarHBondContact O-N 2.55Å; D366-R369 IonicContact OD2-CZ 2.73Å; D366-R369 IonicContact OD2-NE 3.19Å; D366-R369 PolarHBondContact OD2-NE 3.25Å; D366-R369 IonicContact OD2-NH2 3.6Å; D366-R369 PolarHBondContact OD2-NH2 3.21Å
367	W	40	Very low	34.1	Very low	146 Å²	146	126.2 Å²	126.2	55%	0.553	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-9.5	177.8	-65.1	101.8	0	0	0	113.6	P365 R369 V370	P365-W367 VanDerWaalsContact C-N 3.28Å; P365-W367 PolarHBondContact O-N 3.2Å; W367-R369 PolarHBondContact O-N 2.85Å; W367-V370 HydrophobicContact CE3-CB 4.35Å; W367-V370 HydrophobicContact CE3-CG2 3.69Å; W367-V370 HydrophobicContact CZ3-CG2 4.12Å; W367-V370 PolarHBondContact O-N 3.49Å
368	S	36.9	Very low	34.5	Very low	104 Å²	104	121.1 Å²	121.1	73%	0.727	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-20.7	170.3	83	0	0	0	0	112.7	D366	D366-S368 PolarHBondContact O-N 2.88Å; D366-S368 VanDerWaalsContact OD1-CB 3.24Å; D366-S368 WeakPolarHBondContact OD1-CB 3.48Å; D366-S368 PolarHBondContact OD1-N 3.29Å; D366-S368 VanDerWaalsContact OD1-N 3.1Å; D366-S368 PolarHBondContact OD1-OG 3.46Å
369	R	37.3	Very low	34.8	Very low	191 Å²	191	121.4 Å²	121.4	72%	0.721	62%	0.623	S	S	*	*	S	Bend	trans	-89.1	-11.5	176.6	-57.2	-177.4	-165.2	-158	2.7	114.3	D366 W367 P371	D366-R369 HydrophobicContact CB-CG 4.29Å; D366-R369 WeakPolarHBondContact O-CB 3.36Å; D366-R369 PolarHBondContact O-N 2.55Å; D366-R369 IonicContact OD2-CZ 2.73Å; D366-R369 IonicContact OD2-NE 3.19Å; D366-R369 PolarHBondContact OD2-NE 3.25Å; D366-R369 IonicContact OD2-NH2 3.6Å; D366-R369 PolarHBondContact OD2-NH2 3.21Å; W367-R369 PolarHBondContact O-N 2.85Å; R369-P371 WeakPolarHBondContact O-CD 3.41Å
370	V	31.9	Very low	35.2	Very low	67 Å²	67	116.9 Å²	116.9	41%	0.406	60%	0.599	S	S	.	*	S	Bend	trans	-72	116.4	177	175.2	0	0	0	0	108.3	W367 K372	W367-V370 HydrophobicContact CE3-CB 4.35Å; W367-V370 HydrophobicContact CE3-CG2 3.69Å; W367-V370 HydrophobicContact CZ3-CG2 4.12Å; W367-V370 PolarHBondContact O-N 3.49Å; V370-K372 PolarHBondContact O-N 3.47Å
371	P	29.7	Very low	35.4	Very low	78 Å²	78	109.3 Å²	109.3	51%	0.506	56%	0.559	S	S	.	*			trans	-67.5	123.2	-172.8	27.6	-34.4	0	0	0	109.8	R369 L373	R369-P371 WeakPolarHBondContact O-CD 3.41Å; P371-L373 HydrophobicContact CB-CD1 4.03Å; P371-L373 HydrophobicContact CB-CG 4.18Å; P371-L373 HydrophobicContact CG-CD1 4.15Å; P371-L373 PolarHBondContact O-N 3.18Å
372	K	34.9	Very low	35.5	Very low	200 Å²	200	110.3 Å²	110.3	87%	0.87	56%	0.557	S	S	*	*			trans	-77.1	64.1	176.4	-67.1	176.7	-178.1	170.2	0	110.4	V370 P374	V370-K372 PolarHBondContact O-N 3.47Å; K372-P374 WeakPolarHBondContact O-CD 3.35Å
373	L	29.1	Very low	35.7	Very low	139 Å²	139	107.6 Å²	107.6	73%	0.728	54%	0.541	S	S	*	.			trans	-84.7	98.8	171.5	-71.8	163	0	0	0	108.2	P371	P371-L373 HydrophobicContact CB-CD1 4.03Å; P371-L373 HydrophobicContact CB-CG 4.18Å; P371-L373 HydrophobicContact CG-CD1 4.15Å; P371-L373 PolarHBondContact O-N 3.18Å
374	P	29.9	Very low	36	Very low	99 Å²	99	102.4 Å²	102.4	64%	0.643	52%	0.519	S	S	*	.			trans	-57.8	140.6	153.7	29.7	-34.2	0	0	0	107.3	K372 M376	K372-P374 WeakPolarHBondContact O-CD 3.35Å; P374-M376 PolarHBondContact O-N 3.28Å
375	I	30.3	Very low	36.1	Very low	100 Å²	100	98.7 Å²	98.7	51%	0.513	50%	0.504	S	S	.	.			trans	-63.6	105.9	175.5	-61.2	173.4	0	0	0	106.7	L250 V377 L380	L250-I375 HydrophobicContact CD1-CD1 4.49Å; L250-I375 HydrophobicContact CD2-CD1 4.47Å; I375-V377 PolarHBondContact O-N 2.81Å; I375-V377 VanDerWaalsContact O-N 3.16Å; I375-L380 HydrophobicContact CG2-CD1 4.29Å
376	M	29.8	Very low	36.2	Very low	103 Å²	103	97.8 Å²	97.8	51%	0.507	50%	0.495	S	S	.	.			trans	-65.6	114.8	176.4	-73.9	-96.4	-76.4	0	0	107	P374 T378 D379	P374-M376 PolarHBondContact O-N 3.28Å; M376-T378 PolarHBondContact O-N 3.01Å; M376-T378 VanDerWaalsContact O-N 3.1Å; M376-D379 PolarHBondContact O-N 2.95Å
377	V	32.9	Very low	35.7	Very low	65 Å²	65	95.2 Å²	95.2	39%	0.394	48%	0.481	S	S	.	.	H	α-helix	trans	-56.2	-30.8	177.6	-165.5	0	0	0	0	109.8	L229 I375 D379 L380 L381	L229-V377 HydrophobicContact CD1-CG1 4.32Å; I375-V377 PolarHBondContact O-N 2.81Å; I375-V377 VanDerWaalsContact O-N 3.16Å; V377-D379 VanDerWaalsContact C-N 3.27Å; V377-D379 PolarHBondContact O-N 3.03Å; V377-L380 WeakPolarHBondContact O-CB 3.3Å; V377-L380 PolarHBondContact O-N 2.98Å; V377-L381 HydrophobicContact CB-CD1 4.23Å; V377-L381 HydrophobicContact CG1-CD1 3.69Å; V377-L381 HydrophobicContact CG1-CG 4.06Å; V377-L381 WeakPolarHBondContact O-CD1 3.48Å; V377-L381 VanDerWaalsContact O-CG 3.24Å; V377-L381 WeakPolarHBondContact O-CG 3.5Å; V377-L381 PolarHBondContact O-N 3.31Å
378	T	34	Very low	35.4	Very low	47 Å²	47	90.5 Å²	90.5	29%	0.288	48%	0.478	S	S	.	.	H	α-helix	trans	-45.1	-43.3	168.3	-17.3	0	0	0	0	113.9	M376 L380 L381 I382	M376-T378 PolarHBondContact O-N 3.01Å; M376-T378 VanDerWaalsContact O-N 3.1Å; T378-L380 VanDerWaalsContact C-N 3.29Å; T378-L380 PolarHBondContact O-N 3.04Å; T378-L381 PolarHBondContact O-N 3.16Å; T378-I382 HydrophobicContact CG2-CD1 4.04Å; T378-I382 WeakPolarHBondContact O-CB 3.24Å; T378-I382 WeakPolarHBondContact O-CD1 3.04Å; T378-I382 WeakPolarHBondContact O-CG1 3.35Å; T378-I382 PolarHBondContact O-N 3.06Å
379	D	36.3	Very low	35	Very low	107 Å²	107	91.8 Å²	91.8	57%	0.572	47%	0.471	S	S	*	.	H	α-helix	trans	-73	-19.2	-178.6	-67.5	-30.3	0	0	0	113.4	M376 V377	M376-D379 PolarHBondContact O-N 2.95Å; V377-D379 VanDerWaalsContact C-N 3.27Å; V377-D379 PolarHBondContact O-N 3.03Å
380	L	37.4	Very low	34.8	Very low	37 Å²	37	89.3 Å²	89.3	19%	0.194	47%	0.472	C	S	.	.	H	α-helix	trans	-85.5	-41.4	170.1	-75.7	159.1	0	0	0	110.6	I375 V377 T378 R383 D384	I375-L380 HydrophobicContact CG2-CD1 4.29Å; V377-L380 WeakPolarHBondContact O-CB 3.3Å; V377-L380 PolarHBondContact O-N 2.98Å; T378-L380 VanDerWaalsContact C-N 3.29Å; T378-L380 PolarHBondContact O-N 3.04Å; L380-R383 VanDerWaalsContact O-CB 3.24Å; L380-R383 WeakPolarHBondContact O-CB 3.33Å; L380-R383 PolarHBondContact O-N 3.15Å; L380-D384 PolarHBondContact O-N 3.29Å
381	L	38.1	Very low	34.6	Very low	8 Å²	8	93.8 Å²	93.8	4%	0.042	49%	0.494	C	S	.	.	H	α-helix	trans	-71.1	-30.7	-176.9	-66.2	165.9	0	0	0	113.5	K86 L229 L240 I242 V377 T378	K86-L381 HydrophobicContact CB-CD1 4.05Å; K86-L381 HydrophobicContact CD-CB 4.32Å; K86-L381 HydrophobicContact CD-CD1 3.88Å; K86-L381 HydrophobicContact CD-CD2 3.94Å; K86-L381 HydrophobicContact CD-CG 4.26Å; K86-L381 HydrophobicContact CG-CD1 3.6Å; K86-L381 HydrophobicContact CG-CG 4.5Å; L229-L381 HydrophobicContact CD1-CD1 4.4Å; L229-L381 HydrophobicContact CD1-CD2 3.99Å; L240-L381 HydrophobicContact CD2-CD2 4.04Å; I242-L381 HydrophobicContact CD1-CD2 4.48Å; V377-L381 HydrophobicContact CB-CD1 4.23Å; V377-L381 HydrophobicContact CG1-CD1 3.69Å; V377-L381 HydrophobicContact CG1-CG 4.06Å; V377-L381 WeakPolarHBondContact O-CD1 3.48Å; V377-L381 VanDerWaalsContact O-CG 3.24Å; V377-L381 WeakPolarHBondContact O-CG 3.5Å; V377-L381 PolarHBondContact O-N 3.31Å; T378-L381 PolarHBondContact O-N 3.16Å
382	I	39.9	Very low	34.8	Very low	109 Å²	109	97.4 Å²	97.4	56%	0.559	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-21	169.3	-70.2	165.7	0	0	0	111.3	T378 L387	T378-I382 HydrophobicContact CG2-CD1 4.04Å; T378-I382 WeakPolarHBondContact O-CB 3.24Å; T378-I382 WeakPolarHBondContact O-CD1 3.04Å; T378-I382 WeakPolarHBondContact O-CG1 3.35Å; T378-I382 PolarHBondContact O-N 3.06Å; I382-L387 HydrophobicContact CG1-CD1 4.29Å
383	R	43.7	Very low	34.6	Very low	156 Å²	156	95.7 Å²	95.7	59%	0.589	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-30.5	-171.4	-148.2	174.4	-169.7	176.4	3.6	114	G249 L380	G249-R383 PolarHBondContact O-NH1 2.95Å; L380-R383 VanDerWaalsContact O-CB 3.24Å; L380-R383 WeakPolarHBondContact O-CB 3.33Å; L380-R383 PolarHBondContact O-N 3.15Å
384	D	43.7	Very low	34.6	Very low	63 Å²	63	96.2 Å²	96.2	34%	0.337	50%	0.503	S	S	.	.	S	Bend	trans	-105.4	11.1	-174.6	-63.7	-20.2	0	0	0	113.3	S246 L380 L386	S246-D384 WeakPolarHBondContact CB-OD2 3.03Å; S246-D384 PolarHBondContact OG-OD2 3.15Å; L380-D384 PolarHBondContact O-N 3.29Å; D384-L386 HydrophobicContact CB-CD1 3.98Å; D384-L386 HydrophobicContact CB-CG 4.02Å; D384-L386 PolarHBondContact O-N 3.38Å
385	N	41.3	Very low	34.6	Very low	100 Å²	100	98.2 Å²	98.2	54%	0.535	51%	0.513	S	S	.	.			trans	58	11.2	-177.4	-138.9	56	0	0	0	116.5	L387	N385-L387 PolarHBondContact O-N 2.86Å
386	L	39.9	Very low	34.5	Very low	61 Å²	61	99 Å²	99	32%	0.319	52%	0.523	S	S	.	.			trans	-72.6	52.3	-178	-64.5	172.5	0	0	0	113.1	K86 L240 D384	K86-L386 PolarHBondContact NZ-O 3.04Å; L240-L386 HydrophobicContact CD1-CB 4.44Å; L240-L386 HydrophobicContact CD2-CD1 4.46Å; D384-L386 HydrophobicContact CB-CD1 3.98Å; D384-L386 HydrophobicContact CB-CG 4.02Å; D384-L386 PolarHBondContact O-N 3.38Å
387	L	33.8	Very low	34.5	Very low	19 Å²	19	101.8 Å²	101.8	10%	0.099	54%	0.535	C	S	.	.	S	Bend	trans	-141.1	12.7	-170.8	-115	171.1	0	0	0	114.7	K86 K87 I382 N385 F389	K86-L387 HydrophobicContact CB-CD2 3.87Å; K86-L387 HydrophobicContact CB-CG 4.25Å; K86-L387 HydrophobicContact CD-CD2 4.14Å; K86-L387 HydrophobicContact CD-CG 3.99Å; K87-L387 HydrophobicContact CD-CD2 4.48Å; K87-L387 HydrophobicContact CG-CD2 4.15Å; I382-L387 HydrophobicContact CG1-CD1 4.29Å; N385-L387 PolarHBondContact O-N 2.86Å; L387-F389 VanDerWaalsContact C-N 3.26Å; L387-F389 HydrophobicContact CB-CD2 4.1Å; L387-F389 HydrophobicContact CB-CE2 4.43Å; L387-F389 HydrophobicContact CD2-CE2 4.46Å; L387-F389 PolarHBondContact O-N 2.89Å
388	G	31.8	Very low	34.3	Very low	48 Å²	48	105.2 Å²	105.2	50%	0.495	55%	0.546	S	S	.	.	S	Bend	trans	71.2	15	174.3	0	0	0	0	0	115.2	E83 D390	E83-G388 WeakPolarHBondContact OE1-CA 3.49Å; E83-G388 PolarHBondContact OE1-N 3.47Å; E83-G388 VanDerWaalsContact OE1-N 3.07Å; G388-D390 PolarHBondContact O-N 3.47Å
389	F	29.2	Very low	34	Very low	130 Å²	130	109.5 Å²	109.5	57%	0.57	57%	0.566	S	S	*	*			trans	-96.4	64.3	173.3	-61.7	-63.7	0	0	0	110	L387	L387-F389 VanDerWaalsContact C-N 3.26Å; L387-F389 HydrophobicContact CB-CD2 4.1Å; L387-F389 HydrophobicContact CB-CE2 4.43Å; L387-F389 HydrophobicContact CD2-CE2 4.46Å; L387-F389 PolarHBondContact O-N 2.89Å
390	D	32.8	Very low	33.8	Very low	140 Å²	140	110 Å²	110	75%	0.749	57%	0.573	S	S	*	*			trans	-82.6	142.3	164.3	-79.1	-41.4	0	0	0	109.9	G388	G388-D390 PolarHBondContact O-N 3.47Å
391	D	29.1	Very low	33.4	Very low	160 Å²	160	114.2 Å²	114.2	86%	0.856	60%	0.6	S	S	*	*			trans	-80.9	123.9	175	-66.9	-67.3	0	0	0	110.4
392	D	32.1	Very low	33.1	Very low	154 Å²	154	118.6 Å²	118.6	82%	0.824	63%	0.629	S	S	*	*			trans	-169.4	145.7	166.4	-102.6	-19.6	0	0	0	109.9
393	E	31.7	Very low	32.6	Very low	165 Å²	165	118.2 Å²	118.2	77%	0.771	64%	0.636	S	S	*	*			cis	-151.2	176.4	-47.7	-142.9	-171	-172.7	0	0	107.9
394	E	28.8	Very low	31.9	Very low	150 Å²	150	112.7 Å²	112.7	70%	0.701	62%	0.622	S	S	*	*			trans	41.6	116.8	166.8	-56	-158.5	123.8	0	0	119.4
395	T	30.9	Very low	31.1	Very low	141 Å²	141	113.2 Å²	113.2	87%	0.865	63%	0.627	S	S	*	*				-152.5	132.7	72.2	7.5	0	0	0	0	113.7
396	T	28.2	Very low	30.4	Very low	116 Å²	116	113.2 Å²	113.2	71%	0.712	63%	0.626	S	S	*	*			trans	-76.8	147	-174.6	40.4	0	0	0	0	114.1
397	Q	29	Very low	29.7	Very low	162 Å²	162	120.3 Å²	120.3	76%	0.757	65%	0.649	S	S	*	*				164.8	137.2	120.5	-88.4	-165.3	-36.3	0	0	111
398	E	28.6	Very low	29.3	Very low	136 Å²	136	125 Å²	125	64%	0.636	68%	0.679	S	S	*	*			cis	-166.9	159.7	-14.5	-132	173.4	-138.9	0	0	109.1
399	I	28.4	Very low	29.2	Very low	137 Å²	137	128.6 Å²	128.6	70%	0.703	69%	0.691	S	S	*	*			trans	64.1	124.5	154.3	-65.9	161.1	0	0	0	118.4
400	T	31.3	Very low	29.2	Very low	119 Å²	119	128.3 Å²	128.3	73%	0.73	70%	0.7	S	S	*	*			cis	-155.2	122.4	-9.8	23.6	0	0	0	0	112
401	T	28.7	Very low	29.3	Very low	124 Å²	124	125.3 Å²	125.3	76%	0.761	69%	0.688	S	S	*	*			trans	-20.2	178.6	133.9	35.6	0	0	0	0	119.9
402	P	32.5	Very low	29.3	Very low	100 Å²	100	122.8 Å²	122.8	65%	0.649	67%	0.67	S	S	*	*			cis	-148.3	174.5	-31.3	39.4	-21.5	0	0	0	117.1
403	S	28.4	Very low	29.3	Very low	101 Å²	101	118.4 Å²	118.4	71%	0.706	65%	0.649	S	S	*	*			trans	66	173.2	141.4	84.1	0	0	0	0	119.7
404	S	29	Very low	29.3	Very low	41 Å²	41	115.8 Å²	115.8	29%	0.287	64%	0.635	S	S	.	*			cis	-154.6	140.7	-28.2	35.8	0	0	0	0	111.6	E504 F505 V506	S404-E504 CarbonylContact O-C 3.11Å; S404-F505 PolarHBondContact O-N 2.89Å; S404-V506 PolarHBondContact OG-N 2.92Å
405	T	27.8	Very low	29.4	Very low	73 Å²	73	112.2 Å²	112.2	45%	0.448	62%	0.623	S	S	.	*			trans	54.3	156.3	130.9	-38.6	0	0	0	0	122.8	E504 V506	T405-E504 CarbonylContact O-C 3.32Å; T405-V506 WeakPolarHBondContact CG2-O 3.43Å
406	I	27	Very low	29.5	Very low	101 Å²	101	111 Å²	111	52%	0.518	62%	0.616	S	S	.	*			trans	80.3	115.5	152.2	-102.8	170.9	0	0	0	121.5
407	R	25.8	Very low	29.7	Very low	210 Å²	210	111.4 Å²	111.4	79%	0.792	62%	0.618	S	S	*	*			trans	64.3	125.8	145.8	-71.4	174.9	177.9	-172.6	-1.1	122.7
408	T	25.4	Very low	29.8	Very low	118 Å²	118	107.7 Å²	107.7	72%	0.724	61%	0.61	S	S	*	*			trans	75.2	130.5	138.2	48	0	0	0	0	120.6
409	T	29.1	Very low	30	Very low	122 Å²	122	112.5 Å²	112.5	75%	0.748	62%	0.624	S	S	*	*			trans	58.5	104	152.4	51.1	0	0	0	0	119
410	T	28.5	Very low	30.2	Very low	125 Å²	125	108.9 Å²	108.9	77%	0.767	62%	0.62	S	S	*	*				2.7	154.2	121.7	54	0	0	0	0	118.2
411	P	34.8	Very low	30.3	Very low	77 Å²	77	108.4 Å²	108.4	50%	0.5	62%	0.622	S	S	.	*			cis	-147.4	170.7	-29.2	38.1	-18.7	0	0	0	116.1
412	F	30.2	Very low	30.5	Very low	107 Å²	107	107.8 Å²	107.8	47%	0.469	62%	0.618	S	S	.	*			trans	135	153	145.7	-60.3	162.4	0	0	0	121	W498 G499	F412-W498 HydrophobicContact CB-CB 4.2Å; F412-W498 HydrophobicContact CB-CD2 3.83Å; F412-W498 HydrophobicContact CB-CE3 3.8Å; F412-W498 HydrophobicContact CB-CG 3.99Å; F412-W498 HydrophobicContact CB-CZ3 4.49Å; F412-W498 HydrophobicContact CD1-CD2 4.1Å; F412-W498 HydrophobicContact CD1-CE3 4.26Å; F412-W498 HydrophobicContact CD1-CH2 4.26Å; F412-W498 HydrophobicContact CD1-CZ2 4.11Å; F412-W498 HydrophobicContact CD1-CZ3 4.34Å; F412-W498 HydrophobicContact CD2-CB 3.96Å; F412-W498 AromaticContact CD2-CD1 3.1Å; F412-W498 AromaticContact CD2-CD2 3.38Å; F412-W498 HydrophobicContact CD2-CD2 3.38Å; F412-W498 AromaticContact CD2-CE2 3.48Å; F412-W498 VanDerWaalsContact CD2-CE2 3.48Å; F412-W498 HydrophobicContact CD2-CE3 4.21Å; F412-W498 AromaticContact CD2-CG 3.16Å; F412-W498 HydrophobicContact CD2-CG 3.16Å; F412-W498 HydrophobicContact CD2-CZ2 4.34Å; F412-W498 AromaticContact CD2-NE1 3.33Å; F412-W498 VanDerWaalsContact CD2-NE1 3.33Å; F412-W498 AromaticContact CE1-CE2 3.99Å; F412-W498 HydrophobicContact CE1-CH2 4.35Å; F412-W498 AromaticContact CE1-CZ2 3.9Å; F412-W498 HydrophobicContact CE1-CZ2 3.9Å; F412-W498 AromaticContact CE2-CD1 3.21Å; F412-W498 AromaticContact CE2-CD2 3.88Å; F412-W498 HydrophobicContact CE2-CD2 3.88Å; F412-W498 AromaticContact CE2-CE2 3.44Å; F412-W498 VanDerWaalsContact CE2-CE2 3.44Å; F412-W498 AromaticContact CE2-CG 3.77Å; F412-W498 HydrophobicContact CE2-CG 3.77Å; F412-W498 HydrophobicContact CE2-CZ2 4.13Å; F412-W498 AromaticContact CE2-NE1 3.01Å; F412-W498 HydrophobicContact CG-CB 4.42Å; F412-W498 AromaticContact CG-CD2 3.5Å; F412-W498 HydrophobicContact CG-CD2 3.5Å; F412-W498 AromaticContact CG-CE2 3.78Å; F412-W498 AromaticContact CG-CE3 3.86Å; F412-W498 HydrophobicContact CG-CE3 3.86Å; F412-W498 AromaticContact CG-CG 3.72Å; F412-W498 HydrophobicContact CG-CG 3.72Å; F412-W498 HydrophobicContact CG-CZ2 4.33Å; F412-W498 HydrophobicContact CG-CZ3 4.38Å; F412-W498 HydrophobicContact CZ-CD2 4.43Å; F412-W498 AromaticContact CZ-CE2 3.71Å; F412-W498 AromaticContact CZ-CZ2 3.91Å; F412-W498 HydrophobicContact CZ-CZ2 3.91Å; F412-W498 AromaticContact CZ-NE1 3.6Å; F412-G499 PolarHBondContact N-O 3.35Å; F412-G499 CarbonylContact O-C 3.52Å
413	V	32.4	Very low	30.5	Very low	62 Å²	62	110 Å²	110	38%	0.376	63%	0.625	S	S	.	*			trans	175.7	-177.6	-175.3	86.3	0	0	0	0	113.6	W498 P500	V413-W498 HydrophobicContact CG1-CB 4.45Å; V413-W498 WeakPolarHBondContact O-CB 3.47Å; V413-P500 VanDerWaalsContact CG1-CD 3.45Å; V413-P500 HydrophobicContact CG2-CG 4.43Å
414	F	31	Very low	30.8	Very low	109 Å²	109	111.6 Å²	111.6	48%	0.478	63%	0.63	S	S	.	*			trans	-147.7	143.6	141.5	-124.4	-107.8	0	0	0	112.5	Q496 L497	F414-Q496 HydrophobicContact CZ-CB 4.02Å; F414-L497 HydrophobicContact CD1-CD1 3.89Å; F414-L497 HydrophobicContact CD2-CB 3.89Å; F414-L497 HydrophobicContact CD2-CD1 4.24Å; F414-L497 HydrophobicContact CE1-CD1 3.63Å; F414-L497 HydrophobicContact CE2-CB 3.49Å; F414-L497 VanDerWaalsContact CE2-CB 3.49Å; F414-L497 HydrophobicContact CE2-CD1 4.03Å; F414-L497 HydrophobicContact CE2-CG 4.41Å; F414-L497 HydrophobicContact CG-CD1 4.18Å; F414-L497 HydrophobicContact CZ-CB 3.88Å; F414-L497 HydrophobicContact CZ-CD1 3.71Å; F414-L497 HydrophobicContact CZ-CG 4.4Å
415	T	31.8	Very low	30.9	Very low	76 Å²	76	115 Å²	115	47%	0.466	65%	0.649	S	S	.	*			trans	38.2	144.6	146.6	56.7	0	0	0	0	128.2	L497	T415-L497 HydrophobicContact CG2-CD1 3.62Å
416	T	31	Very low	31.1	Very low	114 Å²	114	119.8 Å²	119.8	70%	0.699	67%	0.666	S	S	*	*				84.2	147.6	129.1	47.7	0	0	0	0	126.3
417	T	32.4	Very low	31.1	Very low	125 Å²	125	118.7 Å²	118.7	77%	0.767	67%	0.668	S	S	*	*			trans	69.1	152.8	151.3	42.6	0	0	0	0	120.1
418	S	31.8	Very low	31.4	Very low	85 Å²	85	117.3 Å²	117.3	59%	0.594	67%	0.668	S	S	*	*			cis	168.3	146	-32.7	52	0	0	0	0	110
419	Y	32.6	Very low	31.6	Very low	237 Å²	237	118 Å²	118	93%	0.929	67%	0.671	S	S	*	*			trans	145.1	150.5	145.2	-96.4	-81.6	0	0	0	115.8
420	G	32.5	Very low	31.5	Very low	60 Å²	60	116.3 Å²	116.3	62%	0.619	67%	0.665	S	S	*	*			trans	105.2	114	163.5	0	0	0	0	0	114.9
421	S	33	Very low	31.7	Very low	110 Å²	110	119.4 Å²	119.4	77%	0.769	67%	0.671	S	S	*	*			cis	82.7	131.2	41.2	80.3	0	0	0	0	113.9
422	T	34.2	Very low	31.4	Very low	111 Å²	111	119.8 Å²	119.8	68%	0.681	68%	0.68	S	S	*	*			cis	-171.1	149.6	2.7	9.3	0	0	0	0	110.7
423	D	31.5	Very low	31.5	Very low	147 Å²	147	121.2 Å²	121.2	79%	0.786	70%	0.697	S	S	*	*			trans	58.1	167.2	150.4	-48.5	-28.6	0	0	0	118.7
424	V	34.7	Very low	31.5	Very low	133 Å²	133	126.8 Å²	126.8	81%	0.806	72%	0.719	S	S	*	*			cis	-143.9	167.1	26.8	176.1	0	0	0	0	112.1
425	T	31	Very low	31.6	Very low	113 Å²	113	125.7 Å²	125.7	69%	0.693	73%	0.73	S	S	*	*			trans	-67.7	-174.6	174.1	58.8	0	0	0	0	113.9
426	E	32.4	Very low	31.7	Very low	174 Å²	174	131.5 Å²	131.5	81%	0.813	75%	0.749	S	S	*	*			cis	-159.1	173.2	11.5	-148.6	162.6	-148	0	0	114.4
427	S	28	Very low	31.8	Very low	78 Å²	78	137.2 Å²	137.2	55%	0.545	76%	0.758	S	S	.	*			trans	-60.2	172	-173.1	69.7	0	0	0	0	122.3
428	K	30.5	Very low	31.9	Very low	181 Å²	181	136.5 Å²	136.5	79%	0.787	75%	0.753	S	S	*	*			trans	98.5	136.3	143.4	-74.4	160.7	-172.5	164	0	121.7
429	T	29.5	Very low	31.8	Very low	131 Å²	131	137.2 Å²	137.2	80%	0.804	76%	0.758	S	S	*	*			trans	62.7	153.4	146.6	48	0	0	0	0	119.3
430	S	28.2	Very low	31.8	Very low	88 Å²	88	137.3 Å²	137.3	62%	0.615	76%	0.759	S	S	*	*			cis	-172.5	163.2	-19.1	49.4	0	0	0	0	109.2
431	E	32.7	Very low	32	Very low	190 Å²	190	139.4 Å²	139.4	89%	0.888	76%	0.761	S	S	*	*			trans	63.6	166.6	167.5	-62.4	175.5	164.4	0	0	115.2
432	A	28.7	Very low	31.9	Very low	84 Å²	84	139.1 Å²	139.1	69%	0.694	76%	0.759	S	S	*	*			cis	174.8	-178.6	-32.7	0	0	0	0	0	105.5
433	V	32.6	Very low	31.9	Very low	137 Å²	137	140.2 Å²	140.2	83%	0.83	77%	0.766	S	S	*	*			trans	75.8	122.1	-177.3	-171.6	0	0	0	0	114.2
434	Q	31	Very low	32.1	Very low	180 Å²	180	139 Å²	139	84%	0.841	76%	0.764	S	S	*	*			cis	109	96.7	7.5	-165.5	-165.8	65.3	0	0	116.4
435	A	33.4	Very low	31.9	Very low	85 Å²	85	138.2 Å²	138.2	70%	0.702	76%	0.76	S	S	*	*			trans	-161	118	156.7	0	0	0	0	0	110.5
436	K	33.7	Very low	32.1	Very low	199 Å²	199	141.7 Å²	141.7	87%	0.865	77%	0.77	S	S	*	*				60.5	118.4	93.1	-66	172.3	179.6	170.1	0	113.2
437	R	33.1	Very low	32	Very low	234 Å²	234	144.6 Å²	144.6	88%	0.883	77%	0.774	S	S	*	*				-162.7	178.4	55	-82.8	-170.7	171.4	119.6	-9.5	110.3
438	T	34.1	Very low	32.5	Very low	110 Å²	110	145.3 Å²	145.3	68%	0.675	78%	0.777	S	S	*	*			cis	-167.8	110.6	-28.9	34	0	0	0	0	106.8
439	S	30.7	Very low	32.7	Very low	100 Å²	100	142.7 Å²	142.7	70%	0.699	78%	0.776	S	S	*	*				64	115.2	95.2	72.6	0	0	0	0	118.5
440	Y	32.5	Very low	32.9	Very low	238 Å²	238	140.6 Å²	140.6	93%	0.933	77%	0.767	S	S	*	*			trans	-154.1	138.8	144.2	-106.5	-72.1	0	0	0	110.6
441	P	36.8	Very low	33.3	Very low	104 Å²	104	145.3 Å²	145.3	68%	0.675	78%	0.776	S	S	*	*			trans	-129.6	170.7	-171.1	43.2	-30.7	0	0	0	117.2
442	S	31.4	Very low	33.4	Very low	104 Å²	104	140.8 Å²	140.8	73%	0.727	77%	0.766	S	S	*	*			trans	73	145.2	149.7	71	0	0	0	0	121.6
443	T	34.5	Very low	33.6	Very low	134 Å²	134	141.7 Å²	141.7	82%	0.822	77%	0.767	S	S	*	*			trans	131.2	147.4	160.6	52.4	0	0	0	0	111.5
444	T	34	Very low	33.7	Very low	122 Å²	122	143.3 Å²	143.3	75%	0.748	77%	0.767	S	S	*	*			cis	-155.9	164	-19.4	-92.9	0	0	0	0	110.2
445	T	31.9	Very low	33.8	Very low	116 Å²	116	141.6 Å²	141.6	71%	0.712	76%	0.764	S	S	*	*			trans	-55	155.3	174.3	53.7	0	0	0	0	114.4
446	M	34.1	Very low	33.7	Very low	186 Å²	186	144.9 Å²	144.9	92%	0.916	77%	0.77	S	S	*	*				-155.5	169.4	70	-93.4	-166.6	159.3	0	0	117.3
447	R	30.4	Very low	33.6	Very low	235 Å²	235	141.6 Å²	141.6	89%	0.887	77%	0.766	S	S	*	*			trans	-130.4	-164.3	-171.5	-129.1	-176.9	-165.3	-172.5	6.2	106.1
448	P	38.8	Very low	33.6	Very low	93 Å²	93	134.8 Å²	134.8	60%	0.604	76%	0.76	S	S	*	*			cis	-142.1	-175.2	-11.5	31.3	-7.2	0	0	0	116.2
449	T	35	Very low	33.4	Very low	127 Å²	127	141 Å²	141	78%	0.779	77%	0.771	S	S	*	*			trans	63.2	156	144.6	42.9	0	0	0	0	120.8
450	S	33.1	Very low	33.1	Very low	87 Å²	87	145.6 Å²	145.6	61%	0.608	78%	0.779	S	S	*	*			cis	-173.9	147.9	-13.8	49.3	0	0	0	0	109.9
451	K	36.2	Very low	33.3	Very low	186 Å²	186	140.3 Å²	140.3	81%	0.809	77%	0.773	S	S	*	*				172.1	119.2	106.1	-96.5	173	-176.6	179	0	109.9
452	S	35	Very low	33	Very low	96 Å²	96	141 Å²	141	67%	0.671	78%	0.776	S	S	*	*				77.7	103.3	97.9	75.4	0	0	0	0	115.6
453	S	33.2	Very low	32.9	Very low	103 Å²	103	142.6 Å²	142.6	72%	0.72	78%	0.781	S	S	*	*				88.7	143.2	99.5	68.7	0	0	0	0	113.9
454	M	34.5	Very low	33	Very low	170 Å²	170	141.8 Å²	141.8	84%	0.837	78%	0.778	S	S	*	*			cis	-140.2	138.5	23.3	-70	178.2	175.1	0	0	110.3
455	N	32.5	Very low	32.8	Very low	145 Å²	145	145.5 Å²	145.5	78%	0.775	79%	0.787	S	S	*	*				62.7	105.1	81	-86.8	12	0	0	0	117.7
456	N	33.3	Very low	32.7	Very low	154 Å²	154	143.4 Å²	143.4	82%	0.824	79%	0.788	S	S	*	*				179.2	114.5	125.7	-87.1	-23.1	0	0	0	108.8
457	V	31.1	Very low	32.7	Very low	129 Å²	129	143.7 Å²	143.7	78%	0.782	79%	0.79	S	S	*	*				93.6	96	57.9	169.4	0	0	0	0	113.2
458	A	31.8	Very low	32.7	Very low	92 Å²	92	139.9 Å²	139.9	76%	0.76	79%	0.787	S	S	*	*			trans	156.6	151.2	139.5	0	0	0	0	0	111.5
459	R	31.6	Very low	32.5	Very low	239 Å²	239	143.3 Å²	143.3	90%	0.902	80%	0.801	S	S	*	*			cis	-158.3	129.1	-26.6	-106.3	-177.4	-173.7	177.1	2.3	106.9
460	K	24	Very low	32.4	Very low	197 Å²	197	142.6 Å²	142.6	86%	0.857	80%	0.8	S	S	*	*			trans	-93.8	141.8	161.6	-81.3	-168	175.5	-172.8	0	109.9
461	P	35.9	Very low	32.4	Very low	127 Å²	127	142.6 Å²	142.6	83%	0.825	81%	0.806	S	S	*	*			trans	-82.6	150.4	153.6	-1.4	20.7	0	0	0	110.6
462	T	29.9	Very low	32.2	Very low	120 Å²	120	141.2 Å²	141.2	74%	0.736	81%	0.807	S	S	*	*			trans	-153.6	150.8	173.5	-3.4	0	0	0	0	108.5
463	V	30.4	Very low	32	Very low	136 Å²	136	141.8 Å²	141.8	82%	0.824	81%	0.806	S	S	*	*			trans	70.9	147	165.5	168.6	0	0	0	0	112.1
464	P	35.8	Very low	32	Very low	118 Å²	118	145.6 Å²	145.6	77%	0.766	81%	0.812	S	S	*	*			cis	-128.4	171.1	30.3	30.9	-8.7	0	0	0	118.7
465	Q	31.3	Very low	31.6	Very low	199 Å²	199	142.3 Å²	142.3	93%	0.93	81%	0.806	S	S	*	*			trans	-82.7	153.2	160.5	-55	162	-68.9	0	0	109.7
466	G	30	Very low	31.5	Very low	72 Å²	72	141.4 Å²	141.4	74%	0.742	81%	0.806	S	S	*	*			trans	150.8	125.5	151.6	0	0	0	0	0	118.3
467	M	33.2	Very low	31.1	Very low	192 Å²	192	139 Å²	139	95%	0.946	80%	0.801	S	S	*	*			trans	76.6	146	156.6	-52.8	-171.4	71.8	0	0	118.1
468	N	30.8	Very low	30.8	Very low	155 Å²	155	139.1 Å²	139.1	83%	0.829	80%	0.802	S	S	*	*			trans	-90.8	161.9	-171.2	-49.1	-36.1	0	0	0	111.4
469	D	34.7	Very low	30.5	Very low	166 Å²	166	140.8 Å²	140.8	89%	0.888	80%	0.802	S	S	*	*				-155.7	166.7	117.2	-109.5	-26.2	0	0	0	113.3
470	S	33.1	Very low	30.2	Very low	111 Å²	111	136.2 Å²	136.2	78%	0.776	79%	0.794	S	S	*	*			trans	-74.2	142.7	-159	57	0	0	0	0	118.4
471	A	32.8	Very low	30.3	Very low	88 Å²	88	134.1 Å²	134.1	73%	0.727	79%	0.791	S	S	*	*				-175.5	138.2	116.9	0	0	0	0	0	113.7
472	L	31.1	Very low	29.9	Very low	157 Å²	157	131.1 Å²	131.1	82%	0.822	78%	0.783	S	S	*	*			trans	51.7	96.6	162.1	-63.9	157.6	0	0	0	117.7
473	T	30.8	Very low	29.8	Very low	108 Å²	108	132.6 Å²	132.6	66%	0.663	79%	0.786	S	S	*	*				57.7	116.8	67.5	75.1	0	0	0	0	114.8
474	H	32.7	Very low	29.6	Very low	182 Å²	182	132.7 Å²	132.7	84%	0.843	78%	0.781	S	S	*	*				-142.8	155.3	51.2	-85.4	69.2	0	0	0	115.9
475	S	27.5	Very low	29.2	Very low	101 Å²	101	134.7 Å²	134.7	71%	0.706	78%	0.78	S	S	*	*			trans	-100.5	-178.5	157.7	52.5	0	0	0	0	109.8
476	V	29.5	Very low	29.2	Very low	127 Å²	127	128.7 Å²	128.7	77%	0.77	76%	0.764	S	S	*	*				-173.9	157	78.1	159.6	0	0	0	0	109.1
477	S	25.1	Very low	29.1	Very low	104 Å²	104	130.8 Å²	130.8	73%	0.727	76%	0.763	S	S	*	*			trans	-118.9	147.8	165.6	-52.1	0	0	0	0	111.3
478	V	25.7	Very low	29	Very low	131 Å²	131	129.6 Å²	129.6	79%	0.794	76%	0.755	S	S	*	*			trans	71.4	105.3	146.9	169.6	0	0	0	0	119
479	V	24.8	Very low	29.2	Very low	126 Å²	126	128 Å²	128	76%	0.764	74%	0.742	S	S	*	*			trans	90.7	150.9	130.5	160.9	0	0	0	0	122.8
480	L	24.8	Very low	28.9	Very low	143 Å²	143	128 Å²	128	75%	0.749	74%	0.735	S	S	*	*			trans	88.6	122.2	166.7	-79.5	157.6	0	0	0	121.2
481	I	27.3	Very low	29	Very low	154 Å²	154	127.4 Å²	127.4	79%	0.79	73%	0.728	S	S	*	*			trans	53.9	119.6	148.8	-61.2	169.7	0	0	0	118.5
482	G	26	Very low	28.8	Very low	64 Å²	64	131.2 Å²	131.2	66%	0.66	74%	0.736	S	S	*	*			trans	-105.4	-175	162.7	0	0	0	0	0	112.4
483	L	27.4	Very low	28.8	Very low	151 Å²	151	127.7 Å²	127.7	79%	0.791	72%	0.724	S	S	*	*			trans	176.6	121.8	154.1	-98.3	163.6	0	0	0	108.2
484	L	26.9	Very low	28.5	Very low	137 Å²	137	130.2 Å²	130.2	72%	0.717	73%	0.733	S	S	*	*			trans	57.2	153.7	149	-50.5	178.8	0	0	0	117.7
485	E	28.6	Very low	28.3	Very low	161 Å²	161	127.5 Å²	127.5	75%	0.752	73%	0.733	S	S	*	*			cis	-163.5	161	-2.3	-119.3	159.8	-158	0	0	105.2
486	A	29.6	Very low	28.4	Very low	72 Å²	72	129.3 Å²	129.3	60%	0.595	73%	0.73	S	S	*	*			cis	-160.1	172.9	7.5	0	0	0	0	0	110.9
487	T	28.1	Very low	28.3	Very low	117 Å²	117	126.9 Å²	126.9	72%	0.718	71%	0.712	S	S	*	*			trans	45.2	135	141	52.9	0	0	0	0	121.2
488	E	30.8	Very low	28.5	Very low	166 Å²	166	129.4 Å²	129.4	78%	0.776	71%	0.706	S	S	*	*			cis	-164.2	164	7.6	-94.7	155.9	-130.1	0	0	106.2
489	E	35.1	Very low	28.6	Very low	121 Å²	121	124.9 Å²	124.9	57%	0.565	69%	0.686	S	S	*	*			cis	-153.8	153.8	-17.6	-90.5	-97.3	135.2	0	0	104.3
490	K	29.9	Very low	29	Very low	168 Å²	168	123.2 Å²	123.2	73%	0.73	68%	0.677	S	S	*	*				64	163.2	57.3	-86.8	170.3	166.6	-176.4	0	114.2
491	P	33.8	Very low	29.1	Very low	97 Å²	97	124.4 Å²	124.4	63%	0.63	68%	0.684	S	S	*	*			cis	-143.2	167.7	-42	38	-22	0	0	0	114.4
492	L	30.2	Very low	29.1	Very low	169 Å²	169	122.1 Å²	122.1	89%	0.885	68%	0.682	S	S	*	*			trans	-172.3	150.7	150.1	-89.4	129.3	0	0	0	108
493	S	29	Very low	29.2	Very low	83 Å²	83	127.4 Å²	127.4	58%	0.58	69%	0.689	S	S	*	*			cis	-175.9	152	-23.2	51.6	0	0	0	0	110.1
494	L	26.4	Very low	29.2	Very low	161 Å²	161	126.7 Å²	126.7	84%	0.843	68%	0.682	S	S	*	*			trans	28.8	144.3	147	-70.5	95.3	0	0	0	121.2
495	C	27.5	Very low	29.1	Very low	125 Å²	125	126.3 Å²	126.3	85%	0.845	67%	0.674	S	S	*	*			cis	-124.9	145.2	25.7	-78.8	0	0	0	0	114.2
496	Q	28.8	Very low	29	Very low	139 Å²	139	122 Å²	122	65%	0.65	66%	0.659	S	S	*	*			trans	-94.5	152.4	175.5	-113.1	-173.7	-26	0	0	112.3	F414	F414-Q496 HydrophobicContact CZ-CB 4.02Å
497	L	28	Very low	28.7	Very low	76 Å²	76	126.9 Å²	126.9	40%	0.398	67%	0.667	S	S	.	*			trans	55.9	127.8	139.8	-73.7	167.4	0	0	0	120.5	F414 T415	F414-L497 HydrophobicContact CD1-CD1 3.89Å; F414-L497 HydrophobicContact CD2-CB 3.89Å; F414-L497 HydrophobicContact CD2-CD1 4.24Å; F414-L497 HydrophobicContact CE1-CD1 3.63Å; F414-L497 HydrophobicContact CE2-CB 3.49Å; F414-L497 VanDerWaalsContact CE2-CB 3.49Å; F414-L497 HydrophobicContact CE2-CD1 4.03Å; F414-L497 HydrophobicContact CE2-CG 4.41Å; F414-L497 HydrophobicContact CG-CD1 4.18Å; F414-L497 HydrophobicContact CZ-CB 3.88Å; F414-L497 HydrophobicContact CZ-CD1 3.71Å; F414-L497 HydrophobicContact CZ-CG 4.4Å; T415-L497 HydrophobicContact CG2-CD1 3.62Å
498	W	29.4	Very low	28.6	Very low	156 Å²	156	128 Å²	128	59%	0.591	67%	0.673	S	S	*	*				167.4	144.3	116.3	49.7	-4.8	0	0	0	114	F412 V413	F412-W498 HydrophobicContact CB-CB 4.2Å; F412-W498 HydrophobicContact CB-CD2 3.83Å; F412-W498 HydrophobicContact CB-CE3 3.8Å; F412-W498 HydrophobicContact CB-CG 3.99Å; F412-W498 HydrophobicContact CB-CZ3 4.49Å; F412-W498 HydrophobicContact CD1-CD2 4.1Å; F412-W498 HydrophobicContact CD1-CE3 4.26Å; F412-W498 HydrophobicContact CD1-CH2 4.26Å; F412-W498 HydrophobicContact CD1-CZ2 4.11Å; F412-W498 HydrophobicContact CD1-CZ3 4.34Å; F412-W498 HydrophobicContact CD2-CB 3.96Å; F412-W498 AromaticContact CD2-CD1 3.1Å; F412-W498 AromaticContact CD2-CD2 3.38Å; F412-W498 HydrophobicContact CD2-CD2 3.38Å; F412-W498 AromaticContact CD2-CE2 3.48Å; F412-W498 VanDerWaalsContact CD2-CE2 3.48Å; F412-W498 HydrophobicContact CD2-CE3 4.21Å; F412-W498 AromaticContact CD2-CG 3.16Å; F412-W498 HydrophobicContact CD2-CG 3.16Å; F412-W498 HydrophobicContact CD2-CZ2 4.34Å; F412-W498 AromaticContact CD2-NE1 3.33Å; F412-W498 VanDerWaalsContact CD2-NE1 3.33Å; F412-W498 AromaticContact CE1-CE2 3.99Å; F412-W498 HydrophobicContact CE1-CH2 4.35Å; F412-W498 AromaticContact CE1-CZ2 3.9Å; F412-W498 HydrophobicContact CE1-CZ2 3.9Å; F412-W498 AromaticContact CE2-CD1 3.21Å; F412-W498 AromaticContact CE2-CD2 3.88Å; F412-W498 HydrophobicContact CE2-CD2 3.88Å; F412-W498 AromaticContact CE2-CE2 3.44Å; F412-W498 VanDerWaalsContact CE2-CE2 3.44Å; F412-W498 AromaticContact CE2-CG 3.77Å; F412-W498 HydrophobicContact CE2-CG 3.77Å; F412-W498 HydrophobicContact CE2-CZ2 4.13Å; F412-W498 AromaticContact CE2-NE1 3.01Å; F412-W498 HydrophobicContact CG-CB 4.42Å; F412-W498 AromaticContact CG-CD2 3.5Å; F412-W498 HydrophobicContact CG-CD2 3.5Å; F412-W498 AromaticContact CG-CE2 3.78Å; F412-W498 AromaticContact CG-CE3 3.86Å; F412-W498 HydrophobicContact CG-CE3 3.86Å; F412-W498 AromaticContact CG-CG 3.72Å; F412-W498 HydrophobicContact CG-CG 3.72Å; F412-W498 HydrophobicContact CG-CZ2 4.33Å; F412-W498 HydrophobicContact CG-CZ3 4.38Å; F412-W498 HydrophobicContact CZ-CD2 4.43Å; F412-W498 AromaticContact CZ-CE2 3.71Å; F412-W498 AromaticContact CZ-CZ2 3.91Å; F412-W498 HydrophobicContact CZ-CZ2 3.91Å; F412-W498 AromaticContact CZ-NE1 3.6Å; V413-W498 HydrophobicContact CG1-CB 4.45Å; V413-W498 WeakPolarHBondContact O-CB 3.47Å
499	G	29	Very low	28.4	Very low	36 Å²	36	128.8 Å²	128.8	37%	0.371	68%	0.677	S	S	.	*			cis	170.3	174.8	-0.9	0	0	0	0	0	114.6	F412	F412-G499 PolarHBondContact N-O 3.35Å; F412-G499 CarbonylContact O-C 3.52Å
500	P	31.7	Very low	28.1	Very low	91 Å²	91	128.4 Å²	128.4	59%	0.591	69%	0.688	S	S	*	*			trans	-117.3	-162.2	-164.8	46.4	-34.8	0	0	0	116.9	V413	V413-P500 VanDerWaalsContact CG1-CD 3.45Å; V413-P500 HydrophobicContact CG2-CG 4.43Å
501	L	28	Very low	28.1	Very low	169 Å²	169	125.8 Å²	125.8	89%	0.885	69%	0.685	S	S	*	*			trans	87.7	138.1	-159.2	-61.8	168.2	0	0	0	111.3
502	S	27.8	Very low	28.2	Very low	106 Å²	106	125 Å²	125	74%	0.741	68%	0.68	S	S	*	*			cis	-155	-174.7	-8.3	50.8	0	0	0	0	110.7
503	Q	27.2	Very low	28.7	Very low	175 Å²	175	122.9 Å²	122.9	82%	0.818	67%	0.669	S	S	*	*			trans	-53.4	150.7	-178	-59.3	150.1	-58.1	0	0	115.1
504	E	27.5	Very low	29.4	Very low	136 Å²	136	124.5 Å²	124.5	64%	0.636	67%	0.667	S	S	*	*				174.9	124.9	116.4	-96.9	-163.4	174.2	0	0	118.2	S404 T405	S404-E504 CarbonylContact O-C 3.11Å; T405-E504 CarbonylContact O-C 3.32Å
505	F	25.4	Very low	30.1	Very low	128 Å²	128	121 Å²	121	56%	0.561	65%	0.649	S	S	*	*			trans	68	115.7	148.9	-72.4	-77.3	0	0	0	124.1	S404	S404-F505 PolarHBondContact O-N 2.89Å
506	V	24.9	Very low	31.1	Very low	72 Å²	72	119.8 Å²	119.8	44%	0.436	63%	0.633	S	S	.	*			trans	80.7	137.2	130.4	160.8	0	0	0	0	122.5	S404 T405	S404-V506 PolarHBondContact OG-N 2.92Å; T405-V506 WeakPolarHBondContact CG2-O 3.43Å
507	K	24.8	Very low	31.8	Very low	173 Å²	173	117.5 Å²	117.5	75%	0.752	62%	0.621	S	S	*	*			trans	90.8	125.1	166.9	-88.3	161.7	-175.6	176.4	0	118.8
508	V	24.8	Very low	32.4	Very low	141 Å²	141	118 Å²	118	86%	0.855	62%	0.624	S	S	*	*			trans	-74.2	142	168.3	177.2	0	0	0	0	109.1
509	Q	27.2	Very low	32.9	Very low	182 Å²	182	115 Å²	115	85%	0.85	63%	0.627	S	S	*	*			trans	-134.1	146.8	162.3	-67.3	-165.3	-81.1	0	0	109.1
510	S	28.2	Very low	33.5	Very low	114 Å²	114	118.8 Å²	118.8	80%	0.797	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-67.3	128.9	-176.9	53.1	0	0	0	0	112.4
511	V	30.1	Very low	33.4	Very low	112 Å²	112	117.2 Å²	117.2	68%	0.679	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-77.4	131.8	169	-178.4	0	0	0	0	109.2	D515	V511-D515 HydrophobicContact CG1-CB 4.09Å; V511-D515 VanDerWaalsContact CG1-OD2 3.27Å; V511-D515 WeakPolarHBondContact CG1-OD2 3.45Å
512	P	36.3	Very low	33.9	Very low	81 Å²	81	114.1 Å²	114.1	53%	0.526	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-66.1	151.5	177.8	-21.5	34	0	0	0	113.6	Q514 D515	P512-Q514 HydrophobicContact CB-CB 4.49Å; P512-Q514 PolarHBondContact O-N 2.95Å; P512-D515 PolarHBondContact O-N 3.37Å
513	I	41.7	Very low	33.9	Very low	125 Å²	125	113.8 Å²	113.8	64%	0.641	62%	0.616	S	S	*	*	H	α-helix	trans	-54.1	-23	172.7	-73.7	170.7	0	0	0	112.9	D515 I516 F517	I513-D515 PolarHBondContact O-N 3.25Å; I513-I516 WeakPolarHBondContact O-CB 3.23Å; I513-I516 PolarHBondContact O-N 2.9Å; I513-F517 HydrophobicContact CG2-CD2 3.93Å; I513-F517 HydrophobicContact CG2-CE2 3.55Å; I513-F517 WeakPolarHBondContact O-CD2 3.03Å; I513-F517 PolarHBondContact O-N 2.84Å
514	Q	43	Very low	33.9	Very low	117 Å²	117	109 Å²	109	55%	0.547	61%	0.613	S	S	.	*	H	α-helix	trans	-61.7	-41.3	-178.5	-157.6	64	48.7	0	0	113	P512 I516 F517 D518	P512-Q514 HydrophobicContact CB-CB 4.49Å; P512-Q514 PolarHBondContact O-N 2.95Å; Q514-I516 PolarHBondContact O-N 3.41Å; Q514-F517 PolarHBondContact O-N 2.84Å; Q514-F517 VanDerWaalsContact O-N 3.09Å; Q514-D518 PolarHBondContact O-N 3.33Å
515	D	41.8	Very low	33.9	Very low	87 Å²	87	106.3 Å²	106.3	47%	0.465	61%	0.61	S	S	.	*	H	α-helix	trans	-67.2	-23	-177.7	-59.4	-45	0	0	0	112	V511 P512 I513 S519	V511-D515 HydrophobicContact CG1-CB 4.09Å; V511-D515 VanDerWaalsContact CG1-OD2 3.27Å; V511-D515 WeakPolarHBondContact CG1-OD2 3.45Å; P512-D515 PolarHBondContact O-N 3.37Å; I513-D515 PolarHBondContact O-N 3.25Å; D515-S519 WeakPolarHBondContact O-CB 3.39Å; D515-S519 PolarHBondContact O-N 2.87Å; D515-S519 VanDerWaalsContact O-N 3.08Å
516	I	47	Very low	34.1	Very low	100 Å²	100	106.8 Å²	106.8	51%	0.513	63%	0.625	S	S	.	*	H	α-helix	trans	-72.5	-42.2	173.9	-57.8	177.2	0	0	0	110.6	I513 Q514 D518 S519 L520	I513-I516 WeakPolarHBondContact O-CB 3.23Å; I513-I516 PolarHBondContact O-N 2.9Å; Q514-I516 PolarHBondContact O-N 3.41Å; I516-D518 VanDerWaalsContact C-N 3.33Å; I516-D518 PolarHBondContact O-N 3.27Å; I516-S519 PolarHBondContact O-N 3.03Å; I516-S519 PolarHBondContact O-OG 3.12Å; I516-L520 HydrophobicContact CG2-CD1 4.11Å; I516-L520 WeakPolarHBondContact O-CG 3.31Å; I516-L520 PolarHBondContact O-N 3.31Å; I516-L520 VanDerWaalsContact O-N 3.14Å
517	F	43.6	Very low	34.6	Very low	90 Å²	90	109.8 Å²	109.8	40%	0.395	64%	0.635	S	S	.	*	H	α-helix	trans	-63.1	-40.1	176.3	-78.4	-67	0	0	0	112.2	I513 Q514 L520 G521 I522	I513-F517 HydrophobicContact CG2-CD2 3.93Å; I513-F517 HydrophobicContact CG2-CE2 3.55Å; I513-F517 WeakPolarHBondContact O-CD2 3.03Å; I513-F517 PolarHBondContact O-N 2.84Å; Q514-F517 PolarHBondContact O-N 2.84Å; Q514-F517 VanDerWaalsContact O-N 3.09Å; F517-L520 PolarHBondContact O-N 2.88Å; F517-G521 PolarHBondContact O-N 3.33Å; F517-I522 HydrophobicContact CD1-CB 4.19Å; F517-I522 HydrophobicContact CD1-CD1 4.34Å; F517-I522 HydrophobicContact CD1-CG2 4.44Å; F517-I522 PolarHBondContact O-N 3.23Å
518	D	41.9	Very low	35.1	Very low	86 Å²	86	103.8 Å²	103.8	46%	0.46	62%	0.622	S	S	.	*	H	α-helix	trans	-66	-39	176	-70.8	10.5	0	0	0	110.9	Q514 I516 L520 G521 T523	Q514-D518 PolarHBondContact O-N 3.33Å; I516-D518 VanDerWaalsContact C-N 3.33Å; I516-D518 PolarHBondContact O-N 3.27Å; D518-L520 VanDerWaalsContact C-N 3.26Å; D518-L520 PolarHBondContact O-N 2.97Å; D518-G521 PolarHBondContact O-N 2.63Å; D518-T523 WeakPolarHBondContact OD1-CG2 3.22Å
519	S	39.2	Very low	36.4	Very low	93 Å²	93	98 Å²	98	65%	0.65	59%	0.59	S	S	*	*	H	α-helix	trans	-64.9	-26	175.4	83.3	0	0	0	0	114.3	D515 I516	D515-S519 WeakPolarHBondContact O-CB 3.39Å; D515-S519 PolarHBondContact O-N 2.87Å; D515-S519 VanDerWaalsContact O-N 3.08Å; I516-S519 PolarHBondContact O-N 3.03Å; I516-S519 PolarHBondContact O-OG 3.12Å
520	L	41.8	Very low	38.4	Very low	116 Å²	116	92.2 Å²	92.2	61%	0.607	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	0.8	179	-69.3	171.5	0	0	0	113.1	I516 F517 D518 I522	I516-L520 HydrophobicContact CG2-CD1 4.11Å; I516-L520 WeakPolarHBondContact O-CG 3.31Å; I516-L520 PolarHBondContact O-N 3.31Å; I516-L520 VanDerWaalsContact O-N 3.14Å; F517-L520 PolarHBondContact O-N 2.88Å; D518-L520 VanDerWaalsContact C-N 3.26Å; D518-L520 PolarHBondContact O-N 2.97Å; L520-I522 VanDerWaalsContact C-N 3.28Å; L520-I522 HydrophobicContact CB-CD1 3.89Å; L520-I522 HydrophobicContact CB-CG1 3.81Å; L520-I522 HydrophobicContact CD1-CD1 4.33Å; L520-I522 PolarHBondContact O-N 3.49Å
521	G	29.7	Very low	41.2	Very low	58 Å²	58	89 Å²	89	60%	0.598	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	20.6	-178.7	0	0	0	0	0	114.5	F517 D518 T523	F517-G521 PolarHBondContact O-N 3.33Å; D518-G521 PolarHBondContact O-N 2.63Å; G521-T523 VanDerWaalsContact C-N 3.26Å; G521-T523 PolarHBondContact O-N 2.96Å; G521-T523 VanDerWaalsContact O-N 3.13Å
522	I	38.2	Very low	44	Very low	105 Å²	105	85.5 Å²	85.5	54%	0.538	52%	0.523	S	S	.	.			trans	-92	57	-174.6	-45.9	-178.1	0	0	0	110.2	F517 L520	F517-I522 HydrophobicContact CD1-CB 4.19Å; F517-I522 HydrophobicContact CD1-CD1 4.34Å; F517-I522 HydrophobicContact CD1-CG2 4.44Å; F517-I522 PolarHBondContact O-N 3.23Å; L520-I522 VanDerWaalsContact C-N 3.28Å; L520-I522 HydrophobicContact CB-CD1 3.89Å; L520-I522 HydrophobicContact CB-CG1 3.81Å; L520-I522 HydrophobicContact CD1-CD1 4.33Å; L520-I522 PolarHBondContact O-N 3.49Å
523	T	27.7	Very low	46.5	Very low	98 Å²	98	82 Å²	82	60%	0.601	50%	0.5	S	S	*	.			trans	-124	40.2	179.3	48.6	0	0	0	0	112.5	D518 G521	D518-T523 WeakPolarHBondContact OD1-CG2 3.22Å; G521-T523 VanDerWaalsContact C-N 3.26Å; G521-T523 PolarHBondContact O-N 2.96Å; G521-T523 VanDerWaalsContact O-N 3.13Å
524	G	26.9	Very low	48.7	Very low	74 Å²	74	79.7 Å²	79.7	76%	0.763	49%	0.489	S	S	*	.			trans	-81.3	138.5	166.6	0	0	0	0	0	112
525	S	27.3	Very low	51	Low	81 Å²	81	74.5 Å²	74.5	57%	0.566	47%	0.465	S	S	*	.			trans	-71.9	162.6	175.7	68.1	0	0	0	0	112.2	E527	S525-E527 PolarHBondContact O-N 2.94Å
526	P	30.5	Very low	53.1	Low	137 Å²	137	73.5 Å²	73.5	89%	0.89	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	15.7	178.2	-21.3	34.8	0	0	0	116.3
527	E	34.8	Very low	55	Low	135 Å²	135	68.9 Å²	68.9	63%	0.631	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.6	15.1	-167.7	-58.3	-167.8	141.3	0	0	113.9	S525	S525-E527 PolarHBondContact O-N 2.94Å
528	G	35.9	Very low	56.9	Low	48 Å²	48	64.6 Å²	64.6	50%	0.495	42%	0.42	S	S	.	.	S	Bend	trans	-140.9	160.6	176	0	0	0	0	0	113
529	G	51.8	Low	59.3	Low	18 Å²	18	65.6 Å²	65.6	19%	0.186	42%	0.417	C	S	.	.			trans	-66.9	132.4	-178.1	0	0	0	0	0	112.6	Y553 A628	G529-Y553 WeakPolarHBondContact O-CE2 3.23Å; G529-A628 PolarHBondContact N-O 2.85Å
530	S	68.8	Low	61.9	Low	62 Å²	62	61.2 Å²	61.2	43%	0.434	39%	0.386	S	S	.	.			trans	-92.4	144.8	171.4	176.9	0	0	0	0	110.6	V532 V533 F555	S530-V532 VanDerWaalsContact CB-O 3.3Å; S530-V532 WeakPolarHBondContact CB-O 3.34Å; S530-V532 PolarHBondContact O-N 3.5Å; S530-V532 PolarHBondContact OG-N 3.03Å; S530-V532 PolarHBondContact OG-O 3.22Å; S530-V533 WeakPolarHBondContact O-CG2 3.48Å; S530-F555 WeakPolarHBondContact O-CZ 3.32Å
531	I	87.1	Confident	64.4	Low	47 Å²	47	60 Å²	60	24%	0.241	38%	0.376	C	S	.	.	S	Bend	trans	-73.2	-11.9	168.3	-162.7	176.2	0	0	0	112.6	K541 G542 I544 Y553 F555	I531-K541 WeakPolarHBondContact O-CA 3.4Å; I531-G542 WeakPolarHBondContact CG1-O 3.25Å; I531-G542 PolarHBondContact O-N 2.84Å; I531-I544 HydrophobicContact CD1-CD1 4.02Å; I531-I544 HydrophobicContact CD1-CG1 3.48Å; I531-I544 VanDerWaalsContact CD1-CG1 3.48Å; I531-Y553 HydrophobicContact CB-CD1 4.27Å; I531-Y553 HydrophobicContact CB-CE1 4.21Å; I531-Y553 HydrophobicContact CD1-CD1 4.39Å; I531-Y553 HydrophobicContact CD1-CE1 4.5Å; I531-Y553 HydrophobicContact CG1-CD1 4.11Å; I531-Y553 HydrophobicContact CG1-CE1 4.41Å; I531-F555 VanDerWaalsContact O-CE1 3.26Å; I531-F555 WeakPolarHBondContact O-CE1 3.31Å
532	V	88.3	Confident	67.4	Low	38 Å²	38	57.5 Å²	57.5	23%	0.23	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	114.5	174.6	177.9	0	0	0	0	109	S530 W539 Y540 K541 I582	S530-V532 VanDerWaalsContact CB-O 3.3Å; S530-V532 WeakPolarHBondContact CB-O 3.34Å; S530-V532 PolarHBondContact O-N 3.5Å; S530-V532 PolarHBondContact OG-N 3.03Å; S530-V532 PolarHBondContact OG-O 3.22Å; V532-W539 HydrophobicContact CG1-CE3 3.77Å; V532-W539 HydrophobicContact CG1-CZ3 4.24Å; V532-Y540 WeakPolarHBondContact CA-O 3.12Å; V532-K541 HydrophobicContact CG2-CB 4.06Å; V532-K541 HydrophobicContact CG2-CD 4.21Å; V532-K541 HydrophobicContact CG2-CG 3.95Å; V532-I582 HydrophobicContact CG1-CD1 4.4Å
533	V	88.9	Confident	70	Confident	7 Å²	7	56.4 Å²	56.4	4%	0.042	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.8	-173.2	178.8	0	0	0	0	110.1	S530 T535 W539 Y540 F555 G709 F710	S530-V533 WeakPolarHBondContact O-CG2 3.48Å; V533-T535 HydrophobicContact CG1-CG2 4.23Å; V533-W539 WeakPolarHBondContact O-CA 3.48Å; V533-Y540 PolarHBondContact N-O 3.31Å; V533-Y540 PolarHBondContact O-N 3Å; V533-F555 HydrophobicContact CB-CE1 4.24Å; V533-F555 HydrophobicContact CB-CZ 4.5Å; V533-F555 HydrophobicContact CG2-CE1 3.86Å; V533-F555 HydrophobicContact CG2-CE2 4.49Å; V533-F555 HydrophobicContact CG2-CZ 3.64Å; V533-G709 WeakPolarHBondContact CG1-O 3.28Å; V533-G709 WeakPolarHBondContact CG2-O 3.41Å; V533-F710 HydrophobicContact CB-CD1 4.22Å; V533-F710 HydrophobicContact CB-CE1 3.81Å; V533-F710 HydrophobicContact CB-CZ 4.07Å; V533-F710 HydrophobicContact CG1-CD1 4.11Å; V533-F710 HydrophobicContact CG1-CD2 4.09Å; V533-F710 HydrophobicContact CG1-CE1 3.83Å; V533-F710 HydrophobicContact CG1-CE2 3.82Å; V533-F710 HydrophobicContact CG1-CG 4.24Å; V533-F710 HydrophobicContact CG1-CZ 3.69Å; V533-F710 HydrophobicContact CG2-CD1 3.95Å; V533-F710 HydrophobicContact CG2-CE1 4.01Å
534	N	89.2	Confident	73.1	Confident	77 Å²	77	55.5 Å²	55.5	41%	0.412	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	141.7	171.7	-166.3	24.5	0	0	0	110.2	W539 Y578	N534-W539 HydrophobicContact CB-CD2 3.67Å; N534-W539 HydrophobicContact CB-CE3 3.65Å; N534-W539 HydrophobicContact CB-CG 4.4Å; N534-W539 HydrophobicContact CB-CH2 3.83Å; N534-W539 HydrophobicContact CB-CZ2 3.81Å; N534-W539 HydrophobicContact CB-CZ3 3.75Å; N534-W539 PolarHBondContact OD1-NE1 2.82Å; N534-Y578 WeakPolarHBondContact OD1-CE2 3.36Å; N534-Y578 PolarHBondContact OD1-OH 2.74Å
535	T	90.3	Very high	76	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.043	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	170.9	-176.5	69.8	0	0	0	0	111	V533 S537 G538 Y540 Y578 W702 N706 F710	V533-T535 HydrophobicContact CG1-CG2 4.23Å; T535-S537 PolarHBondContact O-N 3.23Å; T535-S537 VanDerWaalsContact O-N 3.17Å; T535-S537 PolarHBondContact OG1-N 2.9Å; T535-G538 PolarHBondContact N-O 3.24Å; T535-G538 PolarHBondContact O-N 2.88Å; T535-G538 PolarHBondContact OG1-N 3.2Å; T535-G538 PolarHBondContact OG1-O 2.75Å; T535-Y540 HydrophobicContact CG2-CD2 4.04Å; T535-Y540 HydrophobicContact CG2-CE2 4.43Å; T535-Y540 VanDerWaalsContact OG1-CE2 3.31Å; T535-Y540 WeakPolarHBondContact OG1-CE2 3.41Å; T535-Y578 WeakPolarHBondContact O-CD2 3.27Å; T535-Y578 VanDerWaalsContact O-CE2 3.24Å; T535-Y578 WeakPolarHBondContact O-CE2 3.21Å; T535-W702 HydrophobicContact CG2-CH2 4.11Å; T535-W702 HydrophobicContact CG2-CZ2 3.81Å; T535-N706 WeakPolarHBondContact CA-OD1 3.38Å; T535-N706 WeakPolarHBondContact CB-OD1 3.43Å; T535-N706 HydrophobicContact CG2-CB 4.4Å; T535-F710 HydrophobicContact CG2-CE2 3.68Å; T535-F710 HydrophobicContact CG2-CZ 3.62Å
536	T	86.5	Confident	78.9	Confident	67 Å²	67	54.8 Å²	54.8	41%	0.411	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.3	174.9	53.8	0	0	0	0	113.8	E705 N706	T536-E705 HydrophobicContact CG2-CB 4.46Å; T536-E705 WeakPolarHBondContact CG2-OE2 3.25Å; T536-E705 PolarHBondContact OG1-OE2 3.45Å; T536-N706 PolarHBondContact N-OD1 2.84Å; T536-N706 PolarHBondContact OG1-ND2 2.87Å
537	S	86.5	Confident	81	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.014	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	3.1	174.6	62.3	0	0	0	0	115.5	T535 Y540 T559 S579 W702	T535-S537 PolarHBondContact O-N 3.23Å; T535-S537 VanDerWaalsContact O-N 3.17Å; T535-S537 PolarHBondContact OG1-N 2.9Å; S537-Y540 PolarHBondContact OG-OH 2.91Å; S537-Y540 VanDerWaalsContact OG-OH 3.08Å; S537-T559 VanDerWaalsContact CB-O 3.28Å; S537-T559 WeakPolarHBondContact CB-O 3.49Å; S537-T559 PolarHBondContact OG-O 3.08Å; S537-S579 PolarHBondContact O-N 2.04Å; S537-W702 PolarHBondContact OG-NE1 3.38Å
538	G	84.4	Confident	82.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	136.7	-175.4	175.5	0	0	0	0	0	114.3	T535	T535-G538 PolarHBondContact N-O 3.24Å; T535-G538 PolarHBondContact O-N 2.88Å; T535-G538 PolarHBondContact OG1-N 3.2Å; T535-G538 PolarHBondContact OG1-O 2.75Å
539	W	92.4	Very high	84.5	Confident	107 Å²	107	53.6 Å²	53.6	41%	0.405	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.7	168.6	-66.9	83.4	0	0	0	110.9	V532 V533 N534 Y578 G581 I582 I583	V532-W539 HydrophobicContact CG1-CE3 3.77Å; V532-W539 HydrophobicContact CG1-CZ3 4.24Å; V533-W539 WeakPolarHBondContact O-CA 3.48Å; N534-W539 HydrophobicContact CB-CD2 3.67Å; N534-W539 HydrophobicContact CB-CE3 3.65Å; N534-W539 HydrophobicContact CB-CG 4.4Å; N534-W539 HydrophobicContact CB-CH2 3.83Å; N534-W539 HydrophobicContact CB-CZ2 3.81Å; N534-W539 HydrophobicContact CB-CZ3 3.75Å; N534-W539 PolarHBondContact OD1-NE1 2.82Å; W539-Y578 PolarHBondContact NE1-OH 3.02Å; W539-G581 WeakPolarHBondContact CB-O 3.29Å; W539-I582 HydrophobicContact CB-CG1 4.13Å; W539-I583 PolarHBondContact O-N 3.48Å
540	Y	94	Very high	85.7	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.008	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.1	177.1	-67.6	-91.6	0	0	0	110.7	V532 V533 T535 S537 V558 T559 I583 A585	V532-Y540 WeakPolarHBondContact CA-O 3.12Å; V533-Y540 PolarHBondContact N-O 3.31Å; V533-Y540 PolarHBondContact O-N 3Å; T535-Y540 HydrophobicContact CG2-CD2 4.04Å; T535-Y540 HydrophobicContact CG2-CE2 4.43Å; T535-Y540 VanDerWaalsContact OG1-CE2 3.31Å; T535-Y540 WeakPolarHBondContact OG1-CE2 3.41Å; S537-Y540 PolarHBondContact OG-OH 2.91Å; S537-Y540 VanDerWaalsContact OG-OH 3.08Å; Y540-V558 HydrophobicContact CD1-CB 4.41Å; Y540-V558 HydrophobicContact CD1-CG1 4.29Å; Y540-V558 HydrophobicContact CD1-CG2 3.98Å; Y540-V558 HydrophobicContact CD2-CG1 4.21Å; Y540-V558 HydrophobicContact CE1-CB 4.14Å; Y540-V558 HydrophobicContact CE1-CG1 3.95Å; Y540-V558 HydrophobicContact CE1-CG2 4.21Å; Y540-V558 HydrophobicContact CE2-CG1 3.87Å; Y540-V558 HydrophobicContact CG-CG1 4.41Å; Y540-V558 HydrophobicContact CG-CG2 4.33Å; Y540-T559 PolarHBondContact OH-N 2.73Å; Y540-T559 VanDerWaalsContact OH-N 3.08Å; Y540-T559 PolarHBondContact OH-O 3.26Å; Y540-I583 WeakPolarHBondContact CA-O 3.3Å; Y540-I583 HydrophobicContact CD1-CB 3.69Å; Y540-I583 HydrophobicContact CD1-CD1 4.1Å; Y540-I583 HydrophobicContact CD1-CG1 4.5Å; Y540-I583 HydrophobicContact CD1-CG2 3.74Å; Y540-I583 HydrophobicContact CE1-CB 3.86Å; Y540-I583 HydrophobicContact CE1-CD1 3.47Å; Y540-I583 VanDerWaalsContact CE1-CD1 3.47Å; Y540-I583 HydrophobicContact CE1-CG1 4.27Å; Y540-I583 HydrophobicContact CE1-CG2 3.72Å; Y540-I583 HydrophobicContact CE2-CD1 4.22Å; Y540-I583 HydrophobicContact CG-CB 4.41Å; Y540-A585 HydrophobicContact CD1-CB 4.09Å
541	K	93.5	Very high	86.6	Confident	90 Å²	90	58.7 Å²	58.7	39%	0.391	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.9	169.7	180	172.5	178.3	-176.9	0	109.8	I531 V532 I582 I583 A585	I531-K541 WeakPolarHBondContact O-CA 3.4Å; V532-K541 HydrophobicContact CG2-CB 4.06Å; V532-K541 HydrophobicContact CG2-CD 4.21Å; V532-K541 HydrophobicContact CG2-CG 3.95Å; K541-I582 HydrophobicContact CB-CG2 3.56Å; K541-I583 PolarHBondContact N-O 2.92Å; K541-A585 WeakPolarHBondContact O-CB 3.24Å; K541-A585 PolarHBondContact O-N 2.87Å
542	G	93.3	Very high	86.9	Confident	6 Å²	6	56.4 Å²	56.4	6%	0.062	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	175.4	177.1	0	0	0	0	0	113.1	I531 A554 F555	I531-G542 WeakPolarHBondContact CG1-O 3.25Å; I531-G542 PolarHBondContact O-N 2.84Å; G542-A554 CarbonylContact C-O 3.51Å; G542-A554 WeakPolarHBondContact CA-O 3.48Å; G542-F555 VanDerWaalsContact N-CE1 3.3Å
543	K	92.3	Very high	87.2	Confident	82 Å²	82	56.1 Å²	56.1	36%	0.357	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	154.2	165.9	70.1	-177.5	-177	-169.2	0	111	Y553 A554 L556 N586	K543-Y553 WeakPolarHBondContact O-CA 3.39Å; K543-A554 HydrophobicContact CG-CB 3.99Å; K543-A554 PolarHBondContact N-O 2.73Å; K543-A554 PolarHBondContact O-N 3.33Å; K543-L556 HydrophobicContact CD-CD1 4.37Å; K543-L556 VanDerWaalsContact CE-CD1 3.48Å; K543-L556 VanDerWaalsContact NZ-CD1 3.33Å; K543-N586 HydrophobicContact CB-CB 4.41Å
544	I	92.2	Very high	87.5	Confident	78 Å²	78	55.8 Å²	55.8	40%	0.4	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	137.9	170.7	-52.9	-175.2	0	0	0	109	I531 E546 R551 Y553	I531-I544 HydrophobicContact CD1-CD1 4.02Å; I531-I544 HydrophobicContact CD1-CG1 3.48Å; I531-I544 VanDerWaalsContact CD1-CG1 3.48Å; I544-E546 HydrophobicContact CG2-CG 4.3Å; I544-R551 HydrophobicContact CG2-CG 3.59Å; I544-Y553 HydrophobicContact CD1-CE1 4.42Å; I544-Y553 HydrophobicContact CG1-CD1 4.17Å; I544-Y553 HydrophobicContact CG1-CE1 4.15Å
545	I	89.2	Confident	87.9	Confident	38 Å²	38	52.1 Å²	52.1	20%	0.195	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	117.7	165.6	-52.3	178.9	0	0	0	106.7	M547 V552 A554	I545-M547 HydrophobicContact CG2-CG 4.04Å; I545-M547 HydrophobicContact CG2-SD 3.95Å; I545-V552 HydrophobicContact CB-CB 4.44Å; I545-V552 PolarHBondContact N-O 3.23Å; I545-V552 PolarHBondContact O-N 3.36Å; I545-A554 HydrophobicContact CD1-CB 3.68Å; I545-A554 HydrophobicContact CG1-CB 4.17Å
546	E	86.6	Confident	88.2	Confident	102 Å²	102	52 Å²	52	48%	0.477	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	121.3	175.4	-52.5	-68.8	-158.5	0	0	108.9	I544 R551	I544-E546 HydrophobicContact CG2-CG 4.3Å; E546-R551 IonicContact OE1-CZ 2.85Å; E546-R551 IonicContact OE1-NE 3.81Å; E546-R551 PolarHBondContact OE1-NE 2.81Å; E546-R551 IonicContact OE1-NH2 2.72Å; E546-R551 PolarHBondContact OE1-NH2 3.27Å; E546-R551 WeakPolarHBondContact OE2-CB 3.43Å; E546-R551 VanDerWaalsContact OE2-CG 3.28Å; E546-R551 WeakPolarHBondContact OE2-CG 3.3Å; E546-R551 IonicContact OE2-CZ 2.84Å; E546-R551 IonicContact OE2-NE 2.76Å; E546-R551 PolarHBondContact OE2-NE 2.98Å; E546-R551 IonicContact OE2-NH2 2.68Å
547	M	75.7	Confident	88.6	Confident	54 Å²	54	51.4 Å²	51.4	27%	0.266	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	75.5	-174.5	-69.7	-65.6	-57.2	0	0	109.1	I545 N549 Q550 V552 T658 A661	I545-M547 HydrophobicContact CG2-CG 4.04Å; I545-M547 HydrophobicContact CG2-SD 3.95Å; M547-N549 PolarHBondContact O-N 2.86Å; M547-Q550 WeakPolarHBondContact CA-O 3.49Å; M547-Q550 WeakPolarHBondContact CB-O 3.25Å; M547-Q550 PolarHBondContact N-O 3.06Å; M547-Q550 PolarHBondContact O-N 2.87Å; M547-V552 HydrophobicContact CG-CG2 4.36Å; M547-T658 WeakPolarHBondContact CE-OG1 3.26Å; M547-A661 HydrophobicContact CB-CB 3.42Å; M547-A661 VanDerWaalsContact CB-CB 3.42Å; M547-A661 HydrophobicContact CG-CB 3.76Å
548	G	72	Confident	89.1	Confident	71 Å²	71	51.3 Å²	51.3	73%	0.732	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	-123.4	-168.2	0	0	0	0	0	110.4	Q550	G548-Q550 VanDerWaalsContact C-N 3.3Å
549	N	72.5	Confident	89.7	Confident	170 Å²	170	53.4 Å²	53.4	91%	0.909	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-3.5	177.8	-65.2	11.3	0	0	0	113.6	M547	M547-N549 PolarHBondContact O-N 2.86Å
550	Q	76.5	Confident	89.9	Confident	73 Å²	73	48.4 Å²	48.4	34%	0.341	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.9	-177.3	-68.3	-61.5	-33.4	0	0	111.7	M547 G548 A661	M547-Q550 WeakPolarHBondContact CA-O 3.49Å; M547-Q550 WeakPolarHBondContact CB-O 3.25Å; M547-Q550 PolarHBondContact N-O 3.06Å; M547-Q550 PolarHBondContact O-N 2.87Å; G548-Q550 VanDerWaalsContact C-N 3.3Å; Q550-A661 HydrophobicContact CB-CB 4.22Å
551	R	88.3	Confident	90	Very high	114 Å²	114	48.3 Å²	48.3	43%	0.43	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.4	178.7	-176.8	171.7	-73.2	161.6	-3.3	110.9	I544 E546 Y553 A628	I544-R551 HydrophobicContact CG2-CG 3.59Å; E546-R551 IonicContact OE1-CZ 2.85Å; E546-R551 IonicContact OE1-NE 3.81Å; E546-R551 PolarHBondContact OE1-NE 2.81Å; E546-R551 IonicContact OE1-NH2 2.72Å; E546-R551 PolarHBondContact OE1-NH2 3.27Å; E546-R551 WeakPolarHBondContact OE2-CB 3.43Å; E546-R551 VanDerWaalsContact OE2-CG 3.28Å; E546-R551 WeakPolarHBondContact OE2-CG 3.3Å; E546-R551 IonicContact OE2-CZ 2.84Å; E546-R551 IonicContact OE2-NE 2.76Å; E546-R551 PolarHBondContact OE2-NE 2.98Å; E546-R551 IonicContact OE2-NH2 2.68Å; R551-Y553 HydrophobicContact CG-CE1 4.22Å; R551-A628 HydrophobicContact CB-CB 3.92Å; R551-A628 HydrophobicContact CG-CB 3.95Å; R551-A628 WeakPolarHBondContact O-CB 3.41Å; R551-A628 PolarHBondContact O-N 3.11Å
552	V	91.8	Very high	90.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.4	175.3	175.6	0	0	0	0	109.6	I545 M547 W625 T626 A660 A661	I545-V552 HydrophobicContact CB-CB 4.44Å; I545-V552 PolarHBondContact N-O 3.23Å; I545-V552 PolarHBondContact O-N 3.36Å; M547-V552 HydrophobicContact CG-CG2 4.36Å; V552-W625 HydrophobicContact CG1-CB 4.05Å; V552-T626 CarbonylContact C-O 3.56Å; V552-T626 WeakPolarHBondContact CA-O 3.44Å; V552-A660 HydrophobicContact CG1-CB 4.13Å; V552-A660 HydrophobicContact CG2-CB 4.12Å; V552-A661 HydrophobicContact CG2-CB 3.74Å
553	Y	95.2	Very high	90.2	Very high	32 Å²	32	47.7 Å²	47.7	13%	0.125	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.2	165.5	-56.2	-42.8	0	0	0	109.3	G529 I531 K543 I544 R551 T626 A628	G529-Y553 WeakPolarHBondContact O-CE2 3.23Å; I531-Y553 HydrophobicContact CB-CD1 4.27Å; I531-Y553 HydrophobicContact CB-CE1 4.21Å; I531-Y553 HydrophobicContact CD1-CD1 4.39Å; I531-Y553 HydrophobicContact CD1-CE1 4.5Å; I531-Y553 HydrophobicContact CG1-CD1 4.11Å; I531-Y553 HydrophobicContact CG1-CE1 4.41Å; K543-Y553 WeakPolarHBondContact O-CA 3.39Å; I544-Y553 HydrophobicContact CD1-CE1 4.42Å; I544-Y553 HydrophobicContact CG1-CD1 4.17Å; I544-Y553 HydrophobicContact CG1-CE1 4.15Å; R551-Y553 HydrophobicContact CG-CE1 4.22Å; Y553-T626 PolarHBondContact N-O 2.85Å; Y553-T626 PolarHBondContact O-N 3.14Å; Y553-A628 HydrophobicContact CD2-CB 4.21Å; Y553-A628 HydrophobicContact CE1-CB 4.13Å; Y553-A628 VanDerWaalsContact CE2-CA 3.48Å; Y553-A628 HydrophobicContact CE2-CB 3.59Å
554	A	96.3	Very high	90.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	118.8	177.3	0	0	0	0	0	110	G542 K543 I545 L556 I624 W625	G542-A554 CarbonylContact C-O 3.51Å; G542-A554 WeakPolarHBondContact CA-O 3.48Å; K543-A554 HydrophobicContact CG-CB 3.99Å; K543-A554 PolarHBondContact N-O 2.73Å; K543-A554 PolarHBondContact O-N 3.33Å; I545-A554 HydrophobicContact CD1-CB 3.68Å; I545-A554 HydrophobicContact CG1-CB 4.17Å; A554-L556 HydrophobicContact CB-CD2 4.09Å; A554-L556 HydrophobicContact CB-CG 4.29Å; A554-I624 CarbonylContact C-O 3.59Å; A554-I624 VanDerWaalsContact CA-O 3.32Å; A554-I624 WeakPolarHBondContact CA-O 3.42Å; A554-W625 HydrophobicContact CB-CG 4.5Å
555	F	97.4	Very high	90.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	100.6	175.8	-58.1	-101.6	0	0	0	107.8	S530 I531 V533 G542 V558 A585 N623 I624 T626 F710	S530-F555 WeakPolarHBondContact O-CZ 3.32Å; I531-F555 VanDerWaalsContact O-CE1 3.26Å; I531-F555 WeakPolarHBondContact O-CE1 3.31Å; V533-F555 HydrophobicContact CB-CE1 4.24Å; V533-F555 HydrophobicContact CB-CZ 4.5Å; V533-F555 HydrophobicContact CG2-CE1 3.86Å; V533-F555 HydrophobicContact CG2-CE2 4.49Å; V533-F555 HydrophobicContact CG2-CZ 3.64Å; G542-F555 VanDerWaalsContact N-CE1 3.3Å; F555-V558 HydrophobicContact CB-CG2 3.89Å; F555-A585 HydrophobicContact CB-CB 4.02Å; F555-A585 HydrophobicContact CD1-CB 4.35Å; F555-N623 CarbonylContact O-C 3.52Å; F555-N623 WeakPolarHBondContact O-CA 3.47Å; F555-I624 HydrophobicContact CB-CB 4.32Å; F555-I624 PolarHBondContact N-O 3.48Å; F555-I624 PolarHBondContact O-N 3Å; F555-T626 HydrophobicContact CD2-CG2 4.48Å; F555-T626 HydrophobicContact CE2-CG2 4Å; F555-F710 HydrophobicContact CB-CE1 4.09Å; F555-F710 HydrophobicContact CD1-CD1 4.36Å; F555-F710 AromaticContact CD1-CE1 3.73Å; F555-F710 HydrophobicContact CD1-CE1 3.73Å; F555-F710 AromaticContact CD2-CD1 3.66Å; F555-F710 HydrophobicContact CD2-CD1 3.66Å; F555-F710 AromaticContact CD2-CE1 3.79Å; F555-F710 HydrophobicContact CD2-CE1 3.79Å; F555-F710 HydrophobicContact CE1-CD1 4.41Å; F555-F710 HydrophobicContact CE1-CE1 4.01Å; F555-F710 AromaticContact CE2-CD1 3.73Å; F555-F710 HydrophobicContact CE2-CD1 3.73Å; F555-F710 HydrophobicContact CE2-CE1 4.09Å; F555-F710 AromaticContact CG-CD1 4Å; F555-F710 HydrophobicContact CG-CD1 4Å; F555-F710 AromaticContact CG-CE1 3.61Å; F555-F710 HydrophobicContact CG-CE1 3.61Å; F555-F710 HydrophobicContact CZ-CD1 4.11Å; F555-F710 HydrophobicContact CZ-CE1 4.19Å
556	L	95.9	Very high	90.7	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	148.2	-170.2	-51	-176.9	0	0	0	111.1	K543 A554 V558 A585 R587 L588 N623 W625	K543-L556 HydrophobicContact CD-CD1 4.37Å; K543-L556 VanDerWaalsContact CE-CD1 3.48Å; K543-L556 VanDerWaalsContact NZ-CD1 3.33Å; A554-L556 HydrophobicContact CB-CD2 4.09Å; A554-L556 HydrophobicContact CB-CG 4.29Å; L556-V558 PolarHBondContact O-N 3.21Å; L556-A585 PolarHBondContact N-O 3.25Å; L556-A585 CarbonylContact O-C 3.49Å; L556-A585 VanDerWaalsContact O-C 3.32Å; L556-A585 WeakPolarHBondContact O-CA 3.32Å; L556-A585 WeakPolarHBondContact O-CB 3.14Å; L556-R587 CarbonylContact C-O 3.53Å; L556-R587 WeakPolarHBondContact CB-O 3.4Å; L556-L588 HydrophobicContact CD1-CD2 3.96Å; L556-L588 HydrophobicContact CD1-CG 4.25Å; L556-L588 HydrophobicContact CD2-CD2 4.17Å; L556-N623 WeakPolarHBondContact CA-OD1 3.36Å; L556-N623 WeakPolarHBondContact CB-OD1 3.43Å; L556-N623 HydrophobicContact CD2-CB 3.7Å; L556-W625 HydrophobicContact CD2-CZ2 4.07Å
557	N	95.4	Very high	91	Very high	55 Å²	55	41.2 Å²	41.2	29%	0.294	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51.8	49.6	-175.4	-168.1	85	0	0	0	113	R587 A589 L622 N623	N557-R587 WeakPolarHBondContact CB-O 3.23Å; N557-R587 PolarHBondContact N-O 3.01Å; N557-A589 WeakPolarHBondContact OD1-CA 3.37Å; N557-L622 PolarHBondContact N-O 3.32Å; N557-N623 PolarHBondContact N-OD1 2.98Å
558	V	96.8	Very high	91.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.4	174	176.4	0	0	0	0	109	Y540 F555 L556 A585 T621 L622 W702	Y540-V558 HydrophobicContact CD1-CB 4.41Å; Y540-V558 HydrophobicContact CD1-CG1 4.29Å; Y540-V558 HydrophobicContact CD1-CG2 3.98Å; Y540-V558 HydrophobicContact CD2-CG1 4.21Å; Y540-V558 HydrophobicContact CE1-CB 4.14Å; Y540-V558 HydrophobicContact CE1-CG1 3.95Å; Y540-V558 HydrophobicContact CE1-CG2 4.21Å; Y540-V558 HydrophobicContact CE2-CG1 3.87Å; Y540-V558 HydrophobicContact CG-CG1 4.41Å; Y540-V558 HydrophobicContact CG-CG2 4.33Å; F555-V558 HydrophobicContact CB-CG2 3.89Å; L556-V558 PolarHBondContact O-N 3.21Å; V558-A585 HydrophobicContact CG2-CB 4.32Å; V558-T621 CarbonylContact O-C 3.59Å; V558-T621 WeakPolarHBondContact O-CA 3.11Å; V558-T621 WeakPolarHBondContact O-CB 3.18Å; V558-L622 HydrophobicContact CB-CD1 3.84Å; V558-L622 HydrophobicContact CB-CG 4.42Å; V558-L622 HydrophobicContact CG1-CD1 4.12Å; V558-L622 PolarHBondContact N-O 3.48Å; V558-L622 PolarHBondContact O-N 2.79Å; V558-W702 HydrophobicContact CG1-CH2 3.55Å; V558-W702 HydrophobicContact CG1-CZ2 3.5Å; V558-W702 HydrophobicContact CG1-CZ3 4.46Å
559	T	96.6	Very high	93.1	Very high	44 Å²	44	37.8 Å²	37.8	27%	0.27	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	127.7	-174.6	-48.4	0	0	0	0	111.4	S537 Y540 G561 A576 T621	S537-T559 VanDerWaalsContact CB-O 3.28Å; S537-T559 WeakPolarHBondContact CB-O 3.49Å; S537-T559 PolarHBondContact OG-O 3.08Å; Y540-T559 PolarHBondContact OH-N 2.73Å; Y540-T559 VanDerWaalsContact OH-N 3.08Å; Y540-T559 PolarHBondContact OH-O 3.26Å; T559-G561 WeakPolarHBondContact CG2-O 3.4Å; T559-A576 HydrophobicContact CG2-CB 3.9Å; T559-T621 HydrophobicContact CG2-CG2 4.43Å
560	Y	96.9	Very high	94.3	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.008	17%	0.165	C	C	.	.			trans	-110.7	-30.7	176.6	70.6	-99.1	0	0	0	113.1	A576 L620 T621 L622 N671 D695 M698 A699	Y560-A576 WeakPolarHBondContact O-CB 3.14Å; Y560-A576 PolarHBondContact O-N 3.45Å; Y560-L620 WeakPolarHBondContact CD1-O 3.43Å; Y560-L620 HydrophobicContact CE1-CB 4.26Å; Y560-L620 HydrophobicContact CE2-CB 4.1Å; Y560-L620 PolarHBondContact N-O 3.42Å; Y560-L620 VanDerWaalsContact N-O 3.16Å; Y560-T621 VanDerWaalsContact CE1-N 3.33Å; Y560-T621 WeakPolarHBondContact CE1-O 3.41Å; Y560-L622 HydrophobicContact CD1-CB 4.32Å; Y560-L622 HydrophobicContact CD1-CD2 3.85Å; Y560-L622 HydrophobicContact CD1-CG 4.14Å; Y560-L622 HydrophobicContact CG-CD2 4.31Å; Y560-N671 PolarHBondContact OH-O 3.11Å; Y560-D695 WeakPolarHBondContact CE2-O 3.47Å; Y560-M698 HydrophobicContact CD2-CB 4.31Å; Y560-M698 HydrophobicContact CD2-CG 4.04Å; Y560-M698 HydrophobicContact CE2-CB 4.26Å; Y560-M698 HydrophobicContact CE2-CG 4.41Å; Y560-A699 HydrophobicContact CD1-CB 4.09Å; Y560-A699 HydrophobicContact CD2-CB 4Å; Y560-A699 HydrophobicContact CE1-CB 3.94Å; Y560-A699 HydrophobicContact CE2-CB 3.87Å; Y560-A699 HydrophobicContact CG-CB 4.13Å
561	G	95	Very high	95.2	Very high	1 Å²	1	29 Å²	29	1%	0.01	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-120.5	158.2	178.1	0	0	0	0	0	113.4	T559 Q574 L620	T559-G561 WeakPolarHBondContact CG2-O 3.4Å; G561-Q574 CarbonylContact C-O 3.59Å; G561-Q574 WeakPolarHBondContact CA-O 3.4Å; G561-L620 PolarHBondContact N-O 3.45Å
562	Q	95.9	Very high	95.6	Very high	33 Å²	33	25.3 Å²	25.3	15%	0.154	15%	0.15	C	C	.	.			trans	-59.8	146.5	168.4	-71.6	-172.6	23	0	0	111.1	H96 P564 N568 Q574 P575	H96-Q562 PolarHBondContact CD2-NE2 3.41Å; H96-Q562 PolarHBondContact NE2-NE2 2.76Å; Q562-P564 VanDerWaalsContact O-CD 3.28Å; Q562-P564 WeakPolarHBondContact O-CD 3.48Å; Q562-N568 PolarHBondContact OE1-ND2 3Å; Q562-Q574 HydrophobicContact CB-CB 4.38Å; Q562-Q574 HydrophobicContact CG-CB 4.07Å; Q562-Q574 PolarHBondContact N-O 3.28Å; Q562-P575 WeakPolarHBondContact CG-O 3.33Å
563	P	96	Very high	95.9	Very high	50 Å²	50	25.9 Å²	25.9	33%	0.325	15%	0.154	S	C	.	.			trans	-52.9	119.6	170.6	-28.3	37	0	0	0	111.9	I565 S618	P563-I565 HydrophobicContact CB-CD1 4.04Å; P563-I565 HydrophobicContact CB-CG1 4.01Å; P563-I565 HydrophobicContact CB-CG2 4.37Å; P563-I565 PolarHBondContact O-N 3.5Å; P563-S618 WeakPolarHBondContact CG-OG 3.42Å
564	P	96.5	Very high	95.8	Very high	6 Å²	6	27.2 Å²	27.2	4%	0.039	16%	0.161	C	C	.	.			trans	-81	46.6	-178.1	34.1	-37.7	0	0	0	112.2	Q562 R569 E617 L620 R673	Q562-P564 VanDerWaalsContact O-CD 3.28Å; Q562-P564 WeakPolarHBondContact O-CD 3.48Å; P564-R569 VanDerWaalsContact O-CA 3.26Å; P564-R569 WeakPolarHBondContact O-CA 3.48Å; P564-R569 PolarHBondContact O-N 2.87Å; P564-E617 VanDerWaalsContact CD-O 3.22Å; P564-E617 WeakPolarHBondContact CD-O 3.46Å; P564-E617 VanDerWaalsContact CG-O 3.25Å; P564-E617 WeakPolarHBondContact CG-O 3.39Å; P564-L620 HydrophobicContact CB-CD1 4.42Å; P564-L620 HydrophobicContact CG-CD1 4.08Å; P564-L620 HydrophobicContact CG-CD2 4.48Å; P564-L620 HydrophobicContact CG-CG 3.99Å; P564-R673 HydrophobicContact CG-CG 4.21Å
565	I	95.6	Very high	95.6	Very high	84 Å²	84	31.1 Å²	31.1	43%	0.431	19%	0.187	S	C	.	.			trans	-100.5	155.3	-174.8	61.9	-179.5	0	0	0	112	P563 G567 N568 E617	P563-I565 HydrophobicContact CB-CD1 4.04Å; P563-I565 HydrophobicContact CB-CG1 4.01Å; P563-I565 HydrophobicContact CB-CG2 4.37Å; P563-I565 PolarHBondContact O-N 3.5Å; I565-G567 PolarHBondContact O-N 3.46Å; I565-G567 VanDerWaalsContact O-N 3.16Å; I565-N568 PolarHBondContact O-N 3.01Å; I565-E617 HydrophobicContact CG2-CB 3.57Å
566	G	92.6	Very high	95.2	Very high	33 Å²	33	31.8 Å²	31.8	34%	0.34	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	53.5	-119.2	176.3	0	0	0	0	0	112.2	N568 R569 R789	G566-N568 PolarHBondContact O-N 2.93Å; G566-N568 VanDerWaalsContact O-N 3.15Å; G566-R569 VanDerWaalsContact O-CB 3.25Å; G566-R569 WeakPolarHBondContact O-CB 3.34Å; G566-R569 PolarHBondContact O-N 3.12Å; G566-R789 WeakPolarHBondContact O-CG 3.4Å
567	G	92.4	Very high	94.5	Very high	40 Å²	40	35.8 Å²	35.8	41%	0.412	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-59.8	-21.2	176.8	0	0	0	0	0	115.3	I565 R571	I565-G567 PolarHBondContact O-N 3.46Å; I565-G567 VanDerWaalsContact O-N 3.16Å; G567-R571 WeakPolarHBondContact O-CD 3.21Å; G567-R571 PolarHBondContact O-NH1 2.91Å
568	N	94.9	Very high	94.1	Very high	42 Å²	42	36 Å²	36	23%	0.225	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-89	-7.1	174.7	-70.7	-11.8	0	0	0	113.3	Q562 I565 G566 F570 R571	Q562-N568 PolarHBondContact OE1-ND2 3Å; I565-N568 PolarHBondContact O-N 3.01Å; G566-N568 PolarHBondContact O-N 2.93Å; G566-N568 VanDerWaalsContact O-N 3.15Å; N568-F570 PolarHBondContact O-N 3.38Å; N568-R571 PolarHBondContact O-N 2.76Å
569	R	97.1	Very high	93.5	Very high	11 Å²	11	38.6 Å²	38.6	4%	0.042	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	136.5	173.9	-165.2	-170.9	-74.6	154.9	-3.3	109.5	P564 G566 R571 E617 F677 L788 R789 Q791	P564-R569 VanDerWaalsContact O-CA 3.26Å; P564-R569 WeakPolarHBondContact O-CA 3.48Å; P564-R569 PolarHBondContact O-N 2.87Å; G566-R569 VanDerWaalsContact O-CB 3.25Å; G566-R569 WeakPolarHBondContact O-CB 3.34Å; G566-R569 PolarHBondContact O-N 3.12Å; R569-R571 PolarHBondContact O-N 2.87Å; R569-R571 VanDerWaalsContact O-N 3.11Å; R569-E617 IonicContact CZ-OE1 3.54Å; R569-E617 IonicContact CZ-OE2 2.59Å; R569-E617 IonicContact NE-OE1 2.71Å; R569-E617 PolarHBondContact NE-OE1 3.4Å; R569-E617 IonicContact NE-OE2 3.76Å; R569-E617 VanDerWaalsContact NH2-CD 3.34Å; R569-E617 IonicContact NH2-OE1 2.63Å; R569-E617 PolarHBondContact NH2-OE1 2.87Å; R569-E617 IonicContact NH2-OE2 3.61Å; R569-E617 PolarHBondContact NH2-OE2 3.46Å; R569-F677 HydrophobicContact CG-CD1 4.31Å; R569-L788 PolarHBondContact NH1-O 3.08Å; R569-R789 HydrophobicContact CB-CG 4.34Å; R569-R789 PolarHBondContact NH1-O 2.82Å; R569-R789 VanDerWaalsContact NH1-O 3.1Å; R569-R789 PolarHBondContact O-NE 3.03Å; R569-R789 PolarHBondContact O-NH2 2.98Å; R569-Q791 PolarHBondContact NH1-O 3.34Å; R569-Q791 PolarHBondContact NH2-O 3.37Å
570	F	96.9	Very high	92.4	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	-3.1	-173.9	-39.8	-67.1	0	0	0	116.7	N568 I676 F677 F680 D686 A687 L785 L788 I796	N568-F570 PolarHBondContact O-N 3.38Å; F570-I676 HydrophobicContact CE1-CG1 4.43Å; F570-I676 WeakPolarHBondContact CE1-O 3.33Å; F570-F677 HydrophobicContact CE1-CD1 4.49Å; F570-F680 HydrophobicContact CB-CD1 4.21Å; F570-F680 HydrophobicContact CD1-CB 3.62Å; F570-F680 AromaticContact CD1-CD1 3.89Å; F570-F680 HydrophobicContact CD1-CD1 3.89Å; F570-F680 AromaticContact CD1-CG 3.97Å; F570-F680 HydrophobicContact CD1-CG 3.97Å; F570-F680 HydrophobicContact CD2-CD1 4.32Å; F570-F680 HydrophobicContact CE1-CB 3.89Å; F570-F680 HydrophobicContact CE1-CD1 4.31Å; F570-F680 HydrophobicContact CE1-CG 4.12Å; F570-F680 HydrophobicContact CG-CB 4.41Å; F570-F680 AromaticContact CG-CD1 3.87Å; F570-F680 HydrophobicContact CG-CD1 3.87Å; F570-F680 HydrophobicContact CG-CG 4.43Å; F570-D686 CarbonylContact C-O 3.57Å; F570-A687 HydrophobicContact CB-CB 4.2Å; F570-L785 HydrophobicContact CB-CD1 4.24Å; F570-L785 HydrophobicContact CD2-CD1 3.61Å; F570-L785 HydrophobicContact CE2-CD1 4.42Å; F570-L785 HydrophobicContact CG-CD1 4.31Å; F570-L788 HydrophobicContact CE2-CB 3.8Å; F570-L788 HydrophobicContact CZ-CB 4.32Å; F570-I796 HydrophobicContact CZ-CD1 4.42Å
571	R	96.6	Very high	91	Very high	58 Å²	58	41.4 Å²	41.4	22%	0.219	25%	0.253	C	S	.	.	S	Bend	trans	-76.8	156.9	173.5	-74.4	-171.4	169.2	139.3	2.1	112.3	G567 N568 R569 R673 D686	G567-R571 WeakPolarHBondContact O-CD 3.21Å; G567-R571 PolarHBondContact O-NH1 2.91Å; N568-R571 PolarHBondContact O-N 2.76Å; R569-R571 PolarHBondContact O-N 2.87Å; R569-R571 VanDerWaalsContact O-N 3.11Å; R571-R673 PolarHBondContact O-NH1 3.23Å; R571-R673 PolarHBondContact O-NH2 3.35Å; R571-D686 HydrophobicContact CG-CB 4.43Å; R571-D686 IonicContact CZ-OD1 3.79Å; R571-D686 IonicContact CZ-OD2 2.71Å; R571-D686 IonicContact NE-OD1 2.7Å; R571-D686 PolarHBondContact NE-OD1 3.2Å; R571-D686 IonicContact NE-OD2 2.71Å; R571-D686 PolarHBondContact NE-OD2 3.43Å; R571-D686 IonicContact NH2-OD1 3.18Å; R571-D686 PolarHBondContact NH2-OD1 2.95Å; R571-D686 IonicContact NH2-OD2 2.72Å; R571-D686 PolarHBondContact NH2-OD2 3.31Å
572	P	96.7	Very high	90.6	Very high	36 Å²	36	45.8 Å²	45.8	23%	0.234	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-51.2	141.1	159.3	-25.9	36.3	0	0	0	111.1	P688 V691 L694 L821	P572-P688 HydrophobicContact CG-CG 3.69Å; P572-V691 HydrophobicContact CG-CG1 4.4Å; P572-L694 HydrophobicContact CB-CD1 4.11Å; P572-L694 HydrophobicContact CG-CD1 4.32Å; P572-L821 HydrophobicContact CG-CD2 3.98Å
573	P	96.9	Very high	90.4	Very high	12 Å²	12	46.5 Å²	46.5	8%	0.078	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-64	157.8	-178.9	30.4	-36.5	0	0	0	111.6	L620 L694 D695 M698	P573-L620 HydrophobicContact CB-CD1 3.93Å; P573-L694 HydrophobicContact CG-CB 4.16Å; P573-D695 VanDerWaalsContact CB-OD1 3.31Å; P573-D695 WeakPolarHBondContact CB-OD1 3.35Å; P573-D695 WeakPolarHBondContact CG-OD1 3.24Å; P573-M698 HydrophobicContact CB-CE 4.13Å; P573-M698 HydrophobicContact CB-SD 3.81Å; P573-M698 HydrophobicContact CG-CB 4.23Å; P573-M698 HydrophobicContact CG-CE 4.03Å; P573-M698 HydrophobicContact CG-SD 4.12Å; P573-M698 VanDerWaalsContact O-CE 3.3Å; P573-M698 WeakPolarHBondContact O-CE 3.32Å
574	Q	94.5	Very high	90.3	Very high	60 Å²	60	49 Å²	49	28%	0.28	29%	0.287	S	S	.	.			trans	-120.9	145.1	173.8	-64	-57.3	-51.8	0	0	109.4	G561 Q562	G561-Q574 CarbonylContact C-O 3.59Å; G561-Q574 WeakPolarHBondContact CA-O 3.4Å; Q562-Q574 HydrophobicContact CB-CB 4.38Å; Q562-Q574 HydrophobicContact CG-CB 4.07Å; Q562-Q574 PolarHBondContact N-O 3.28Å
575	P	90.6	Very high	90.2	Very high	83 Å²	83	48.7 Å²	48.7	54%	0.539	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-57.5	140.1	-179.7	-24.5	34.7	0	0	0	112	Q562 M698	Q562-P575 WeakPolarHBondContact CG-O 3.33Å; P575-M698 HydrophobicContact CG-CE 3.98Å; P575-M698 HydrophobicContact CG-SD 4.44Å
576	A	89.7	Confident	89.9	Confident	14 Å²	14	48.2 Å²	48.2	12%	0.116	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-61.1	131.6	177.8	0	0	0	0	0	111.2	T559 Y560	T559-A576 HydrophobicContact CG2-CB 3.9Å; Y560-A576 WeakPolarHBondContact O-CB 3.14Å; Y560-A576 PolarHBondContact O-N 3.45Å
577	P	81.5	Confident	89.9	Confident	87 Å²	87	56.2 Å²	56.2	57%	0.565	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-65.4	148.7	173.4	28.8	-35.6	0	0	0	110.5	S579	P577-S579 PolarHBondContact O-N 2.8Å
578	Y	86.5	Confident	89.9	Confident	58 Å²	58	56.8 Å²	56.8	23%	0.227	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-63.7	119.8	176.8	-171.4	-90.2	0	0	0	111.3	V92 L94 N534 T535 W539	V92-Y578 HydrophobicContact CG1-CD1 4.26Å; L94-Y578 HydrophobicContact CD1-CG 4.28Å; N534-Y578 WeakPolarHBondContact OD1-CE2 3.36Å; N534-Y578 PolarHBondContact OD1-OH 2.74Å; T535-Y578 WeakPolarHBondContact O-CD2 3.27Å; T535-Y578 VanDerWaalsContact O-CE2 3.24Å; T535-Y578 WeakPolarHBondContact O-CE2 3.21Å; W539-Y578 PolarHBondContact NE1-OH 3.02Å
579	S	83.3	Confident	89.9	Confident	56 Å²	56	54.8 Å²	54.8	39%	0.392	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135.7	175.9	-161.3	0	0	0	0	111.8	S537 P577	S537-S579 PolarHBondContact O-N 2.04Å; P577-S579 PolarHBondContact O-N 2.8Å
580	N	74.3	Confident	89.8	Confident	81 Å²	81	58.5 Å²	58.5	43%	0.433	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	129.3	177.7	-87.5	-30.5	0	0	0	111.6	V92	V92-N580 VanDerWaalsContact CG2-OD1 3.23Å; V92-N580 WeakPolarHBondContact CG2-OD1 3.47Å
581	G	68.5	Low	89.7	Confident	24 Å²	24	58.5 Å²	58.5	25%	0.247	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	100.4	-169.2	-177.8	0	0	0	0	0	112.8	W539	W539-G581 WeakPolarHBondContact CB-O 3.29Å
582	I	86.4	Confident	89.8	Confident	92 Å²	92	55.8 Å²	55.8	47%	0.472	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	104.4	-175.3	-56.5	177.5	0	0	0	110	V532 W539 K541 Q584	V532-I582 HydrophobicContact CG1-CD1 4.4Å; W539-I582 HydrophobicContact CB-CG1 4.13Å; K541-I582 HydrophobicContact CB-CG2 3.56Å; I582-Q584 PolarHBondContact O-NE2 3.34Å; I582-Q584 VanDerWaalsContact O-NE2 3.07Å
583	I	91.7	Very high	89.8	Confident	49 Å²	49	56.8 Å²	56.8	25%	0.251	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	133.1	175	-59.7	166	0	0	0	109.3	W539 Y540 K541 A585	W539-I583 PolarHBondContact O-N 3.48Å; Y540-I583 WeakPolarHBondContact CA-O 3.3Å; Y540-I583 HydrophobicContact CD1-CB 3.69Å; Y540-I583 HydrophobicContact CD1-CD1 4.1Å; Y540-I583 HydrophobicContact CD1-CG1 4.5Å; Y540-I583 HydrophobicContact CD1-CG2 3.74Å; Y540-I583 HydrophobicContact CE1-CB 3.86Å; Y540-I583 HydrophobicContact CE1-CD1 3.47Å; Y540-I583 VanDerWaalsContact CE1-CD1 3.47Å; Y540-I583 HydrophobicContact CE1-CG1 4.27Å; Y540-I583 HydrophobicContact CE1-CG2 3.72Å; Y540-I583 HydrophobicContact CE2-CD1 4.22Å; Y540-I583 HydrophobicContact CG-CB 4.41Å; K541-I583 PolarHBondContact N-O 2.92Å; I583-A585 PolarHBondContact O-N 3Å
584	Q	94.1	Very high	89.6	Confident	102 Å²	102	56.4 Å²	56.4	48%	0.477	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	100.8	175.1	-57.2	-53.4	-66.6	0	0	110	I582 N586	I582-Q584 PolarHBondContact O-NE2 3.34Å; I582-Q584 VanDerWaalsContact O-NE2 3.07Å; Q584-N586 PolarHBondContact O-N 3.3Å
585	A	93.2	Very high	89.3	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	57.1	-175.3	0	0	0	0	0	111.4	Y540 K541 F555 L556 V558 I583	Y540-A585 HydrophobicContact CD1-CB 4.09Å; K541-A585 WeakPolarHBondContact O-CB 3.24Å; K541-A585 PolarHBondContact O-N 2.87Å; F555-A585 HydrophobicContact CB-CB 4.02Å; F555-A585 HydrophobicContact CD1-CB 4.35Å; L556-A585 PolarHBondContact N-O 3.25Å; L556-A585 CarbonylContact O-C 3.49Å; L556-A585 VanDerWaalsContact O-C 3.32Å; L556-A585 WeakPolarHBondContact O-CA 3.32Å; L556-A585 WeakPolarHBondContact O-CB 3.14Å; V558-A585 HydrophobicContact CG2-CB 4.32Å; I583-A585 PolarHBondContact O-N 3Å
586	N	90.6	Very high	89.2	Confident	74 Å²	74	53.7 Å²	53.7	40%	0.396	27%	0.272	S	S	.	.			trans	-119.3	-9.6	-167.4	65.3	13.9	0	0	0	115.9	K543 Q584	K543-N586 HydrophobicContact CB-CB 4.41Å; Q584-N586 PolarHBondContact O-N 3.3Å
587	R	91.4	Very high	89.1	Confident	200 Å²	200	55.1 Å²	55.1	76%	0.755	28%	0.277	S	S	*	.	S	Bend	trans	-106	145.9	173	-62.1	-178	-177.5	-171.1	-0.8	110.3	L556 N557	L556-R587 CarbonylContact C-O 3.53Å; L556-R587 WeakPolarHBondContact CB-O 3.4Å; N557-R587 WeakPolarHBondContact CB-O 3.23Å; N557-R587 PolarHBondContact N-O 3.01Å
588	L	93.7	Very high	89.4	Confident	53 Å²	53	57.6 Å²	57.6	28%	0.277	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-64.3	149.5	178.6	-71.3	165.3	0	0	0	111.7	L556 Q590 W625	L556-L588 HydrophobicContact CD1-CD2 3.96Å; L556-L588 HydrophobicContact CD1-CG 4.25Å; L556-L588 HydrophobicContact CD2-CD2 4.17Å; L588-Q590 PolarHBondContact O-N 2.89Å; L588-W625 HydrophobicContact CD2-CZ2 4.45Å
589	A	94	Very high	89.5	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-57.3	117.8	172.2	0	0	0	0	0	111.7	N557 T621 N623 P649 S650	N557-A589 WeakPolarHBondContact OD1-CA 3.37Å; A589-T621 VanDerWaalsContact CB-OG1 3.28Å; A589-T621 WeakPolarHBondContact CB-OG1 3.47Å; A589-N623 PolarHBondContact N-OD1 3.3Å; A589-P649 HydrophobicContact CB-CG 3.72Å; A589-S650 WeakPolarHBondContact O-CB 3.29Å
590	Q	94.3	Very high	89.8	Confident	89 Å²	89	56.2 Å²	56.2	42%	0.416	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-66.9	142.2	-179.2	-73.3	-173.8	-26.8	0	0	112	L588 T616 N671	L588-Q590 PolarHBondContact O-N 2.89Å; Q590-T616 HydrophobicContact CB-CG2 3.79Å; Q590-N671 PolarHBondContact O-ND2 3.25Å
591	A	96.4	Very high	90.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	145	-176.7	0	0	0	0	0	112.7	P611 G614 M615 T616 S648	A591-P611 HydrophobicContact CB-CB 3.51Å; A591-P611 HydrophobicContact CB-CG 3.79Å; A591-G614 WeakPolarHBondContact CB-O 3.4Å; A591-M615 HydrophobicContact CB-CG 4.44Å; A591-M615 CarbonylContact O-C 3.54Å; A591-M615 WeakPolarHBondContact O-CA 3.48Å; A591-T616 PolarHBondContact O-N 2.75Å; A591-S648 WeakPolarHBondContact CB-OG 3.15Å
592	C	97.3	Very high	91.6	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.014	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	150.7	166.5	-65.4	0	0	0	0	110.8	Q594 T616 C619 N671 Y672	C592-Q594 WeakPolarHBondContact O-CG 3.4Å; C592-Q594 PolarHBondContact O-N 3.17Å; C592-Q594 PolarHBondContact O-NE2 2.74Å; C592-T616 WeakPolarHBondContact CA-O 3.15Å; C592-C619 VanDerWaalsContact CA-SG 3.51Å; C592-C619 HydrophobicContact CB-CB 3.85Å; C592-C619 WeakPolarHBondContact CB-SG 3.28Å; C592-C619 WeakPolarHBondContact SG-CB 3.46Å; C592-C619 CovalentContact SG-SG 2.03Å; C592-C619 PolarHBondContact SG-SG 2.68Å; C592-N671 PolarHBondContact SG-OD1 2.92Å; C592-Y672 VanDerWaalsContact SG-C 3.57Å; C592-Y672 PolarHBondContact SG-O 3.47Å
593	Y	96.2	Very high	91.8	Very high	57 Å²	57	56.6 Å²	56.6	22%	0.224	29%	0.289	C	S	.	.	S	Bend	trans	-54.2	126.7	172.3	-93.8	-79.3	0	0	0	112	M615 T616 E617 P793 L797	Y593-M615 HydrophobicContact CD1-CB 4.09Å; Y593-M615 HydrophobicContact CD1-SD 4.23Å; Y593-M615 HydrophobicContact CE1-CB 4.35Å; Y593-M615 HydrophobicContact CG-CB 4.24Å; Y593-T616 PolarHBondContact N-O 3.47Å; Y593-T616 VanDerWaalsContact N-O 3.16Å; Y593-E617 HydrophobicContact CD2-CB 4.34Å; Y593-E617 HydrophobicContact CD2-CG 3.51Å; Y593-E617 HydrophobicContact CE2-CG 3.96Å; Y593-E617 HydrophobicContact CG-CG 4.49Å; Y593-P793 HydrophobicContact CD1-CB 4.25Å; Y593-P793 HydrophobicContact CD2-CB 3.89Å; Y593-P793 HydrophobicContact CD2-CG 4.04Å; Y593-P793 HydrophobicContact CE1-CB 4.25Å; Y593-P793 HydrophobicContact CE1-CG 4.16Å; Y593-P793 HydrophobicContact CE2-CB 3.91Å; Y593-P793 HydrophobicContact CE2-CG 3.53Å; Y593-P793 HydrophobicContact CG-CB 4.05Å; Y593-L797 HydrophobicContact CD1-CD1 3.66Å; Y593-L797 HydrophobicContact CG-CD1 4.34Å
594	Q	93.8	Very high	91.7	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.019	31%	0.306	C	S	.	.			trans	-155.3	177.7	-167.9	63.1	-171.8	-100.1	0	0	112	C592 M615 A645 G647 L674 L797	C592-Q594 WeakPolarHBondContact O-CG 3.4Å; C592-Q594 PolarHBondContact O-N 3.17Å; C592-Q594 PolarHBondContact O-NE2 2.74Å; Q594-M615 HydrophobicContact CB-SD 4.44Å; Q594-M615 HydrophobicContact CG-CG 4.34Å; Q594-M615 HydrophobicContact CG-SD 3.63Å; Q594-M615 PolarHBondContact N-SD 3.23Å; Q594-A645 WeakPolarHBondContact CB-O 3.21Å; Q594-G647 PolarHBondContact NE2-O 2.93Å; Q594-G647 PolarHBondContact OE1-O 3.4Å; Q594-L674 HydrophobicContact CB-CD1 4.04Å; Q594-L797 WeakPolarHBondContact O-CD1 3.49Å
595	L	86.9	Confident	91.5	Very high	31 Å²	31	55.6 Å²	55.6	16%	0.162	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-80.9	142.2	167.5	-60.2	177.8	0	0	0	110.1	A645 S646 L797 E801	L595-A645 PolarHBondContact N-O 3.45Å; L595-S646 WeakPolarHBondContact O-CB 3.43Å; L595-L797 HydrophobicContact CD2-CD2 4.47Å; L595-E801 HydrophobicContact CD2-CB 4.04Å; L595-E801 HydrophobicContact CD2-CG 4.17Å
596	M	88.9	Confident	91.4	Very high	54 Å²	54	55.7 Å²	55.7	27%	0.266	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-102.9	134.2	174	-56.9	-69.3	-66	0	0	108.7	N610 P611 M615	M596-N610 WeakPolarHBondContact CA-OD1 3.47Å; M596-N610 HydrophobicContact CE-CB 3.75Å; M596-P611 HydrophobicContact CE-CG 4.05Å; M596-P611 HydrophobicContact SD-CG 3.76Å; M596-M615 HydrophobicContact CG-CE 3.95Å; M596-M615 HydrophobicContact SD-CE 3.88Å; M596-M615 HydrophobicContact SD-SD 4.12Å
597	D	88.1	Confident	91.4	Very high	44 Å²	44	55.5 Å²	55.5	24%	0.235	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-70.3	135.7	171.6	-167.6	0.4	0	0	0	109.8	T599 T606 N610	D597-T599 VanDerWaalsContact OD1-CB 3.27Å; D597-T599 WeakPolarHBondContact OD1-CB 3.42Å; D597-T599 PolarHBondContact OD1-N 2.92Å; D597-T599 PolarHBondContact OD1-OG1 3.5Å; D597-T606 VanDerWaalsContact OD2-CG2 3.3Å; D597-T606 WeakPolarHBondContact OD2-CG2 3.4Å; D597-N610 PolarHBondContact N-OD1 3.03Å; D597-N610 PolarHBondContact O-ND2 3.17Å
598	K	88	Confident	91.4	Very high	140 Å²	140	46.7 Å²	46.7	61%	0.609	25%	0.248	S	C	*	.			trans	-137.7	16.7	178.9	-61.5	171.3	-168.3	147.2	0	111.2	P601	K598-P601 WeakPolarHBondContact O-CD 3.34Å; K598-P601 WeakPolarHBondContact O-CG 3.43Å
599	T	87.7	Confident	91.3	Very high	51 Å²	51	46.3 Å²	46.3	31%	0.313	24%	0.243	S	C	.	.	S	Bend	trans	-66.3	-40.7	-175.7	-49.9	0	0	0	0	111.1	D597 T859	D597-T599 VanDerWaalsContact OD1-CB 3.27Å; D597-T599 WeakPolarHBondContact OD1-CB 3.42Å; D597-T599 PolarHBondContact OD1-N 2.92Å; D597-T599 PolarHBondContact OD1-OG1 3.5Å; T599-T859 HydrophobicContact CG2-CG2 3.59Å
600	Y	90.3	Very high	91.3	Very high	34 Å²	34	47.1 Å²	47.1	13%	0.133	25%	0.247	C	C	.	.	S	Bend	trans	-132	78.2	175.3	-58.3	-68.4	0	0	0	110.6	G602 F603 T606 P855 I864	Y600-G602 PolarHBondContact O-N 3.47Å; Y600-F603 VanDerWaalsContact O-CB 3.3Å; Y600-F603 WeakPolarHBondContact O-CB 3.49Å; Y600-F603 PolarHBondContact O-N 3.41Å; Y600-T606 HydrophobicContact CD2-CG2 4.08Å; Y600-T606 PolarHBondContact O-OG1 2.74Å; Y600-P855 HydrophobicContact CE2-CB 4.35Å; Y600-P855 WeakPolarHBondContact CE2-O 3.36Å; Y600-P855 PolarHBondContact OH-O 2.83Å; Y600-I864 HydrophobicContact CD1-CD1 3.69Å; Y600-I864 HydrophobicContact CD1-CG1 3.82Å; Y600-I864 HydrophobicContact CD1-CG2 4.49Å; Y600-I864 HydrophobicContact CD2-CD1 4.35Å; Y600-I864 HydrophobicContact CD2-CG2 3.92Å; Y600-I864 HydrophobicContact CE1-CD1 4.37Å; Y600-I864 HydrophobicContact CE1-CG1 3.99Å; Y600-I864 HydrophobicContact CE1-CG2 4.36Å; Y600-I864 HydrophobicContact CE2-CG2 3.79Å; Y600-I864 HydrophobicContact CG-CD1 3.69Å; Y600-I864 HydrophobicContact CG-CG1 4.18Å; Y600-I864 HydrophobicContact CG-CG2 4.29Å
601	P	90.2	Very high	91.1	Very high	100 Å²	100	43.2 Å²	43.2	65%	0.649	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	128	-175	-24.2	35.6	0	0	0	112.5	K598 F603	K598-P601 WeakPolarHBondContact O-CD 3.34Å; K598-P601 WeakPolarHBondContact O-CG 3.43Å; P601-F603 VanDerWaalsContact C-N 3.32Å
602	G	89.7	Confident	90.6	Very high	69 Å²	69	50.8 Å²	50.8	71%	0.711	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	7.8	-175.8	0	0	0	0	0	115.4	Y600 E607	Y600-G602 PolarHBondContact O-N 3.47Å; G602-E607 PolarHBondContact N-OE1 3.03Å
603	F	92.2	Very high	89.8	Confident	35 Å²	35	55.4 Å²	55.4	15%	0.154	29%	0.289	C	S	.	.			trans	-91.3	118.7	170.1	173.9	-116.5	0	0	0	110.7	Y600 P601 G605 T606 E607 I864 P949 W950	Y600-F603 VanDerWaalsContact O-CB 3.3Å; Y600-F603 WeakPolarHBondContact O-CB 3.49Å; Y600-F603 PolarHBondContact O-N 3.41Å; P601-F603 VanDerWaalsContact C-N 3.32Å; F603-G605 VanDerWaalsContact C-N 3.26Å; F603-G605 PolarHBondContact O-N 3.42Å; F603-T606 HydrophobicContact CD1-CG2 4.26Å; F603-T606 PolarHBondContact O-N 2.88Å; F603-T606 VanDerWaalsContact O-N 3.08Å; F603-T606 PolarHBondContact O-OG1 3.35Å; F603-E607 VanDerWaalsContact O-CG 3.32Å; F603-E607 WeakPolarHBondContact O-CG 3.24Å; F603-E607 PolarHBondContact O-N 3.1Å; F603-I864 HydrophobicContact CB-CD1 4.01Å; F603-I864 HydrophobicContact CD1-CD1 3.85Å; F603-I864 HydrophobicContact CD2-CD1 3.84Å; F603-I864 HydrophobicContact CE1-CD1 4.27Å; F603-I864 HydrophobicContact CE1-CG2 4.12Å; F603-I864 HydrophobicContact CE2-CD1 4.27Å; F603-I864 HydrophobicContact CG-CD1 3.61Å; F603-I864 HydrophobicContact CZ-CD1 4.48Å; F603-I864 HydrophobicContact CZ-CG2 4.49Å; F603-P949 HydrophobicContact CE2-CB 3.93Å; F603-P949 WeakPolarHBondContact CE2-O 3.46Å; F603-P949 HydrophobicContact CZ-CB 4.14Å; F603-P949 HydrophobicContact CZ-CG 4.33Å; F603-P949 WeakPolarHBondContact CZ-O 3.39Å; F603-W950 HydrophobicContact CD1-CZ2 4.48Å; F603-W950 AromaticContact CE1-CD2 3.67Å; F603-W950 HydrophobicContact CE1-CD2 3.67Å; F603-W950 AromaticContact CE1-CE2 3.61Å; F603-W950 AromaticContact CE1-CE3 3.83Å; F603-W950 HydrophobicContact CE1-CE3 3.83Å; F603-W950 HydrophobicContact CE1-CG 4.3Å; F603-W950 AromaticContact CE1-CH2 3.94Å; F603-W950 HydrophobicContact CE1-CH2 3.94Å; F603-W950 AromaticContact CE1-CZ2 3.75Å; F603-W950 HydrophobicContact CE1-CZ2 3.75Å; F603-W950 AromaticContact CE1-CZ3 3.97Å; F603-W950 HydrophobicContact CE1-CZ3 3.97Å; F603-W950 AromaticContact CZ-CD2 3.92Å; F603-W950 HydrophobicContact CZ-CD2 3.92Å; F603-W950 HydrophobicContact CZ-CE3 4.22Å; F603-W950 HydrophobicContact CZ-CG 4.11Å
604	E	89.3	Confident	89.3	Confident	130 Å²	130	54.2 Å²	54.2	61%	0.607	29%	0.294	S	S	*	.	H	α-helix	trans	-53.6	-39.7	-173.8	-174.7	164.6	-157	0	0	113.3	T606 E607 M608 P949	E604-T606 PolarHBondContact O-N 2.81Å; E604-E607 PolarHBondContact O-N 3.09Å; E604-M608 WeakPolarHBondContact O-CB 3.43Å; E604-M608 VanDerWaalsContact O-CG 3.32Å; E604-M608 WeakPolarHBondContact O-CG 3.34Å; E604-M608 PolarHBondContact O-N 2.84Å; E604-P949 HydrophobicContact CB-CG 4.46Å
605	G	89.5	Confident	89.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-20	-178.8	0	0	0	0	0	115.6	F603 W609 W950	F603-G605 VanDerWaalsContact C-N 3.26Å; F603-G605 PolarHBondContact O-N 3.42Å; G605-W609 PolarHBondContact O-NE1 2.85Å; G605-W609 VanDerWaalsContact O-NE1 3.16Å; G605-W950 VanDerWaalsContact O-CZ2 3.31Å; G605-W950 WeakPolarHBondContact O-CZ2 3.22Å; G605-W950 PolarHBondContact O-NE1 3.22Å
606	T	90.9	Very high	89.7	Confident	2 Å²	2	57 Å²	57	1%	0.012	31%	0.309	C	S	.	.	H	α-helix	trans	-100.4	-41.6	169	41.2	0	0	0	0	112.2	D597 Y600 F603 E604 M608 W609 W950	D597-T606 VanDerWaalsContact OD2-CG2 3.3Å; D597-T606 WeakPolarHBondContact OD2-CG2 3.4Å; Y600-T606 HydrophobicContact CD2-CG2 4.08Å; Y600-T606 PolarHBondContact O-OG1 2.74Å; F603-T606 HydrophobicContact CD1-CG2 4.26Å; F603-T606 PolarHBondContact O-N 2.88Å; F603-T606 VanDerWaalsContact O-N 3.08Å; F603-T606 PolarHBondContact O-OG1 3.35Å; E604-T606 PolarHBondContact O-N 2.81Å; T606-M608 VanDerWaalsContact C-N 3.28Å; T606-M608 PolarHBondContact O-N 3.28Å; T606-W609 PolarHBondContact O-N 2.69Å; T606-W950 HydrophobicContact CG2-CH2 3.62Å; T606-W950 HydrophobicContact CG2-CZ2 3.71Å
607	E	90.9	Very high	90.1	Very high	70 Å²	70	55.6 Å²	55.6	33%	0.327	30%	0.303	S	S	.	.	H	α-helix	trans	-68.2	-24.6	-175.5	-62.4	-74.9	-165.4	0	0	112.8	G602 F603 E604 W609 N610	G602-E607 PolarHBondContact N-OE1 3.03Å; F603-E607 VanDerWaalsContact O-CG 3.32Å; F603-E607 WeakPolarHBondContact O-CG 3.24Å; F603-E607 PolarHBondContact O-N 3.1Å; E604-E607 PolarHBondContact O-N 3.09Å; E607-W609 PolarHBondContact O-N 3.32Å; E607-W609 VanDerWaalsContact O-N 3.09Å; E607-N610 WeakPolarHBondContact O-CB 3.4Å; E607-N610 PolarHBondContact O-N 3.4Å; E607-N610 PolarHBondContact OE2-ND2 3.09Å
608	M	90.4	Very high	90.4	Very high	16 Å²	16	56 Å²	56	8%	0.079	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.9	175.3	66.8	-177.5	-73	0	0	114.6	E604 T606 Y652 L653 Y960	E604-M608 WeakPolarHBondContact O-CB 3.43Å; E604-M608 VanDerWaalsContact O-CG 3.32Å; E604-M608 WeakPolarHBondContact O-CG 3.34Å; E604-M608 PolarHBondContact O-N 2.84Å; T606-M608 VanDerWaalsContact C-N 3.28Å; T606-M608 PolarHBondContact O-N 3.28Å; M608-Y652 HydrophobicContact CB-CE1 3.99Å; M608-L653 HydrophobicContact CE-CD1 4.28Å; M608-L653 HydrophobicContact CE-CD2 4.08Å; M608-Y960 HydrophobicContact SD-CE1 4.37Å; M608-Y960 PolarHBondContact SD-OH 2.52Å
609	W	92.6	Very high	90.9	Very high	44 Å²	44	49.5 Å²	49.5	17%	0.167	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-10.7	177.1	-50.7	108	0	0	0	113.1	G605 T606 E607 L651 L653 Y960 I962	G605-W609 PolarHBondContact O-NE1 2.85Å; G605-W609 VanDerWaalsContact O-NE1 3.16Å; T606-W609 PolarHBondContact O-N 2.69Å; E607-W609 PolarHBondContact O-N 3.32Å; E607-W609 VanDerWaalsContact O-N 3.09Å; W609-L651 HydrophobicContact CE3-CD1 4.36Å; W609-L653 HydrophobicContact CE3-CD2 4.34Å; W609-L653 HydrophobicContact CH2-CD2 3.52Å; W609-L653 HydrophobicContact CZ3-CD2 3.38Å; W609-Y960 HydrophobicContact CZ2-CD2 4.34Å; W609-Y960 AromaticContact CZ2-CE2 3.94Å; W609-Y960 HydrophobicContact CZ2-CE2 3.94Å; W609-I962 HydrophobicContact CH2-CD1 4.4Å; W609-I962 HydrophobicContact CZ3-CD1 4.38Å
610	N	92.8	Very high	91.3	Very high	17 Å²	17	47.1 Å²	47.1	9%	0.091	27%	0.266	C	S	.	.	S	Bend	trans	-84.6	138.3	177.7	-81.9	-29.3	0	0	0	110.9	M596 D597 E607 E612 L651	M596-N610 WeakPolarHBondContact CA-OD1 3.47Å; M596-N610 HydrophobicContact CE-CB 3.75Å; D597-N610 PolarHBondContact N-OD1 3.03Å; D597-N610 PolarHBondContact O-ND2 3.17Å; E607-N610 WeakPolarHBondContact O-CB 3.4Å; E607-N610 PolarHBondContact O-N 3.4Å; E607-N610 PolarHBondContact OE2-ND2 3.09Å; N610-E612 PolarHBondContact O-N 2.82Å; N610-L651 WeakPolarHBondContact O-CD2 3.31Å
611	P	91.5	Very high	91.7	Very high	7 Å²	7	45.7 Å²	45.7	5%	0.045	26%	0.261	C	S	.	.			trans	-71.9	119.1	175.9	27.5	-35.2	0	0	0	113.3	A591 M596 M615	A591-P611 HydrophobicContact CB-CB 3.51Å; A591-P611 HydrophobicContact CB-CG 3.79Å; M596-P611 HydrophobicContact CE-CG 4.05Å; M596-P611 HydrophobicContact SD-CG 3.76Å; P611-M615 HydrophobicContact CG-CG 4.4Å
612	E	84.8	Confident	92.1	Very high	159 Å²	159	40.9 Å²	40.9	74%	0.743	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-45.4	178.2	-62.7	179.8	-156.4	0	0	113.2	N610 G614	N610-E612 PolarHBondContact O-N 2.82Å; E612-G614 PolarHBondContact O-N 3.28Å
613	D	81.3	Confident	92.5	Very high	99 Å²	99	37.6 Å²	37.6	53%	0.529	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	12.9	-173.8	-82.8	-39	0	0	0	114.6
614	G	86	Confident	92.7	Very high	32 Å²	32	36 Å²	36	33%	0.33	19%	0.189	S	C	.	.			trans	76.6	-163	-179.1	0	0	0	0	0	114.7	A591 E612	A591-G614 WeakPolarHBondContact CB-O 3.4Å; E612-G614 PolarHBondContact O-N 3.28Å
615	M	93.6	Very high	93.1	Very high	61 Å²	61	30 Å²	30	30%	0.3	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.9	-170.9	-68.9	178.6	-79.2	0	0	112.9	A591 Y593 Q594 M596 P611	A591-M615 HydrophobicContact CB-CG 4.44Å; A591-M615 CarbonylContact O-C 3.54Å; A591-M615 WeakPolarHBondContact O-CA 3.48Å; Y593-M615 HydrophobicContact CD1-CB 4.09Å; Y593-M615 HydrophobicContact CD1-SD 4.23Å; Y593-M615 HydrophobicContact CE1-CB 4.35Å; Y593-M615 HydrophobicContact CG-CB 4.24Å; Q594-M615 HydrophobicContact CB-SD 4.44Å; Q594-M615 HydrophobicContact CG-CG 4.34Å; Q594-M615 HydrophobicContact CG-SD 3.63Å; Q594-M615 PolarHBondContact N-SD 3.23Å; M596-M615 HydrophobicContact CG-CE 3.95Å; M596-M615 HydrophobicContact SD-CE 3.88Å; M596-M615 HydrophobicContact SD-SD 4.12Å; P611-M615 HydrophobicContact CG-CG 4.4Å
616	T	95.3	Very high	93.4	Very high	32 Å²	32	30.1 Å²	30.1	20%	0.196	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	157.9	174.5	-172.9	0	0	0	0	111.6	Q590 A591 C592 Y593 S618 C619	Q590-T616 HydrophobicContact CB-CG2 3.79Å; A591-T616 PolarHBondContact O-N 2.75Å; C592-T616 WeakPolarHBondContact CA-O 3.15Å; Y593-T616 PolarHBondContact N-O 3.47Å; Y593-T616 VanDerWaalsContact N-O 3.16Å; T616-S618 PolarHBondContact OG1-N 2.84Å; T616-S618 VanDerWaalsContact OG1-N 3.15Å; T616-C619 HydrophobicContact CG2-CB 3.97Å
617	E	96.4	Very high	93.4	Very high	26 Å²	26	30.2 Å²	30.2	12%	0.121	16%	0.162	C	C	.	.	S	Bend	trans	-84	-23.8	166.5	-70.6	-171.2	88.6	0	0	111.3	P564 I565 R569 Y593 C619 P793	P564-E617 VanDerWaalsContact CD-O 3.22Å; P564-E617 WeakPolarHBondContact CD-O 3.46Å; P564-E617 VanDerWaalsContact CG-O 3.25Å; P564-E617 WeakPolarHBondContact CG-O 3.39Å; I565-E617 HydrophobicContact CG2-CB 3.57Å; R569-E617 IonicContact CZ-OE1 3.54Å; R569-E617 IonicContact CZ-OE2 2.59Å; R569-E617 IonicContact NE-OE1 2.71Å; R569-E617 PolarHBondContact NE-OE1 3.4Å; R569-E617 IonicContact NE-OE2 3.76Å; R569-E617 VanDerWaalsContact NH2-CD 3.34Å; R569-E617 IonicContact NH2-OE1 2.63Å; R569-E617 PolarHBondContact NH2-OE1 2.87Å; R569-E617 IonicContact NH2-OE2 3.61Å; R569-E617 PolarHBondContact NH2-OE2 3.46Å; Y593-E617 HydrophobicContact CD2-CB 4.34Å; Y593-E617 HydrophobicContact CD2-CG 3.51Å; Y593-E617 HydrophobicContact CE2-CG 3.96Å; Y593-E617 HydrophobicContact CG-CG 4.49Å; E617-C619 PolarHBondContact O-N 3.28Å; E617-P793 HydrophobicContact CG-CB 3.95Å; E617-P793 HydrophobicContact CG-CG 4.15Å; E617-P793 WeakPolarHBondContact OE2-CG 3.29Å
618	S	95.8	Very high	93.1	Very high	53 Å²	53	28 Å²	28	37%	0.371	16%	0.156	S	C	.	.			trans	-78.3	46.9	178.6	-176.6	0	0	0	0	111.8	P563 T616	P563-S618 WeakPolarHBondContact CG-OG 3.42Å; T616-S618 PolarHBondContact OG1-N 2.84Å; T616-S618 VanDerWaalsContact OG1-N 3.15Å
619	C	96.8	Very high	92.7	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.014	18%	0.18	C	C	.	.			trans	-99.2	-5.2	-160.3	64.5	0	0	0	0	115.4	C592 T616 E617 T621 N671	C592-C619 VanDerWaalsContact CA-SG 3.51Å; C592-C619 HydrophobicContact CB-CB 3.85Å; C592-C619 WeakPolarHBondContact CB-SG 3.28Å; C592-C619 WeakPolarHBondContact SG-CB 3.46Å; C592-C619 CovalentContact SG-SG 2.03Å; C592-C619 PolarHBondContact SG-SG 2.68Å; T616-C619 HydrophobicContact CG2-CB 3.97Å; E617-C619 PolarHBondContact O-N 3.28Å; C619-T621 PolarHBondContact O-N 2.71Å; C619-T621 PolarHBondContact O-OG1 2.77Å; C619-T621 VanDerWaalsContact O-OG1 3.05Å; C619-N671 WeakPolarHBondContact O-CB 3.33Å; C619-N671 PolarHBondContact O-ND2 3.19Å
620	L	98	Very high	92	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.174	C	C	.	.			trans	-70.6	68.9	-175.3	-57	-170.1	0	0	0	113.3	Y560 G561 P564 P573 R673 D695	Y560-L620 WeakPolarHBondContact CD1-O 3.43Å; Y560-L620 HydrophobicContact CE1-CB 4.26Å; Y560-L620 HydrophobicContact CE2-CB 4.1Å; Y560-L620 PolarHBondContact N-O 3.42Å; Y560-L620 VanDerWaalsContact N-O 3.16Å; G561-L620 PolarHBondContact N-O 3.45Å; P564-L620 HydrophobicContact CB-CD1 4.42Å; P564-L620 HydrophobicContact CG-CD1 4.08Å; P564-L620 HydrophobicContact CG-CD2 4.48Å; P564-L620 HydrophobicContact CG-CG 3.99Å; P573-L620 HydrophobicContact CB-CD1 3.93Å; L620-R673 HydrophobicContact CD2-CG 4.23Å; L620-D695 HydrophobicContact CD2-CB 4.05Å; L620-D695 WeakPolarHBondContact CD2-OD2 3.08Å
621	T	97.4	Very high	91.3	Very high	4 Å²	4	34 Å²	34	3%	0.025	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	163.4	-173	57.7	0	0	0	0	110.3	V558 T559 Y560 A589 C619 N671	V558-T621 CarbonylContact O-C 3.59Å; V558-T621 WeakPolarHBondContact O-CA 3.11Å; V558-T621 WeakPolarHBondContact O-CB 3.18Å; T559-T621 HydrophobicContact CG2-CG2 4.43Å; Y560-T621 VanDerWaalsContact CE1-N 3.33Å; Y560-T621 WeakPolarHBondContact CE1-O 3.41Å; A589-T621 VanDerWaalsContact CB-OG1 3.28Å; A589-T621 WeakPolarHBondContact CB-OG1 3.47Å; C619-T621 PolarHBondContact O-N 2.71Å; C619-T621 PolarHBondContact O-OG1 2.77Å; C619-T621 VanDerWaalsContact O-OG1 3.05Å; T621-N671 VanDerWaalsContact O-CB 3.23Å; T621-N671 WeakPolarHBondContact O-CB 3.33Å; T621-N671 PolarHBondContact O-N 3.33Å
622	L	98	Very high	90.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	163.2	179.6	56.6	81.5	0	0	0	111	N557 V558 Y560 I624 V668 N669 I670 W702 I703	N557-L622 PolarHBondContact N-O 3.32Å; V558-L622 HydrophobicContact CB-CD1 3.84Å; V558-L622 HydrophobicContact CB-CG 4.42Å; V558-L622 HydrophobicContact CG1-CD1 4.12Å; V558-L622 PolarHBondContact N-O 3.48Å; V558-L622 PolarHBondContact O-N 2.79Å; Y560-L622 HydrophobicContact CD1-CB 4.32Å; Y560-L622 HydrophobicContact CD1-CD2 3.85Å; Y560-L622 HydrophobicContact CD1-CG 4.14Å; Y560-L622 HydrophobicContact CG-CD2 4.31Å; L622-I624 HydrophobicContact CD1-CD1 3.81Å; L622-I624 HydrophobicContact CD1-CG1 3.54Å; L622-V668 HydrophobicContact CB-CG1 4.37Å; L622-V668 HydrophobicContact CD1-CG1 4.11Å; L622-V668 HydrophobicContact CD2-CG1 4.41Å; L622-N669 CarbonylContact C-O 3.52Å; L622-N669 VanDerWaalsContact CA-O 3.27Å; L622-N669 WeakPolarHBondContact CA-O 3.23Å; L622-N669 VanDerWaalsContact CB-O 3.24Å; L622-N669 WeakPolarHBondContact CB-O 3.47Å; L622-I670 HydrophobicContact CB-CB 4.42Å; L622-I670 HydrophobicContact CB-CG2 4.01Å; L622-I670 HydrophobicContact CD2-CG2 4.26Å; L622-W702 HydrophobicContact CD1-CE3 4.49Å; L622-W702 HydrophobicContact CD1-CH2 4.45Å; L622-W702 HydrophobicContact CD1-CZ3 4.01Å; L622-W702 HydrophobicContact CD2-CD2 4.45Å; L622-W702 HydrophobicContact CD2-CE3 3.82Å; L622-W702 HydrophobicContact CD2-CZ3 4.17Å; L622-I703 HydrophobicContact CD2-CG1 4.36Å
623	N	98	Very high	90.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	144	170.7	-51	-69.6	0	0	0	109.9	F555 L556 N557 A589 W625 P649 V668 N669	F555-N623 CarbonylContact O-C 3.52Å; F555-N623 WeakPolarHBondContact O-CA 3.47Å; L556-N623 WeakPolarHBondContact CA-OD1 3.36Å; L556-N623 WeakPolarHBondContact CB-OD1 3.43Å; L556-N623 HydrophobicContact CD2-CB 3.7Å; N557-N623 PolarHBondContact N-OD1 2.98Å; A589-N623 PolarHBondContact N-OD1 3.3Å; N623-W625 HydrophobicContact CB-CE3 4.41Å; N623-W625 HydrophobicContact CB-CH2 3.73Å; N623-W625 HydrophobicContact CB-CZ2 4.44Å; N623-W625 HydrophobicContact CB-CZ3 3.71Å; N623-P649 PolarHBondContact ND2-O 2.89Å; N623-V668 CarbonylContact O-C 3.55Å; N623-V668 VanDerWaalsContact O-CA 3.24Å; N623-V668 WeakPolarHBondContact O-CA 3.41Å; N623-V668 WeakPolarHBondContact O-CG1 3.32Å; N623-N669 VanDerWaalsContact CB-OD1 3.3Å; N623-N669 WeakPolarHBondContact CB-OD1 3.33Å; N623-N669 PolarHBondContact N-O 3.2Å; N623-N669 PolarHBondContact ND2-OD1 2.96Å; N623-N669 PolarHBondContact O-N 2.85Å
624	I	98.2	Very high	91	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.6	178.9	-50.1	173.5	0	0	0	108.9	A554 F555 L622 V666 V667 V668 W702 I707 F710	A554-I624 CarbonylContact C-O 3.59Å; A554-I624 VanDerWaalsContact CA-O 3.32Å; A554-I624 WeakPolarHBondContact CA-O 3.42Å; F555-I624 HydrophobicContact CB-CB 4.32Å; F555-I624 PolarHBondContact N-O 3.48Å; F555-I624 PolarHBondContact O-N 3Å; L622-I624 HydrophobicContact CD1-CD1 3.81Å; L622-I624 HydrophobicContact CD1-CG1 3.54Å; I624-V666 HydrophobicContact CG2-CG1 3.74Å; I624-V667 CarbonylContact C-O 3.6Å; I624-V667 WeakPolarHBondContact CA-O 3.2Å; I624-V668 HydrophobicContact CG1-CG1 4.33Å; I624-V668 HydrophobicContact CG1-CG2 4.3Å; I624-V668 HydrophobicContact CG2-CG2 4.33Å; I624-W702 HydrophobicContact CD1-CH2 4.01Å; I624-W702 HydrophobicContact CD1-CZ3 3.93Å; I624-I707 HydrophobicContact CD1-CD1 4.37Å; I624-I707 HydrophobicContact CG2-CD1 4.32Å; I624-F710 HydrophobicContact CD1-CD1 3.97Å; I624-F710 HydrophobicContact CD1-CD2 3.94Å; I624-F710 HydrophobicContact CD1-CE1 3.81Å; I624-F710 HydrophobicContact CD1-CE2 3.77Å; I624-F710 HydrophobicContact CD1-CG 4.03Å; I624-F710 HydrophobicContact CD1-CZ 3.7Å; I624-F710 HydrophobicContact CG2-CB 4.43Å; I624-F710 HydrophobicContact CG2-CD1 4.39Å; I624-F710 HydrophobicContact CG2-CG 4.44Å
625	W	97.1	Very high	91.5	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.015	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.1	166.1	-63.1	-102	0	0	0	108.6	V552 A554 L556 L588 N623 N655 A660 V666 V667 N669	V552-W625 HydrophobicContact CG1-CB 4.05Å; A554-W625 HydrophobicContact CB-CG 4.5Å; L556-W625 HydrophobicContact CD2-CZ2 4.07Å; L588-W625 HydrophobicContact CD2-CZ2 4.45Å; N623-W625 HydrophobicContact CB-CE3 4.41Å; N623-W625 HydrophobicContact CB-CH2 3.73Å; N623-W625 HydrophobicContact CB-CZ2 4.44Å; N623-W625 HydrophobicContact CB-CZ3 3.71Å; W625-N655 VanDerWaalsContact CE2-OD1 3.32Å; W625-N655 WeakPolarHBondContact CZ2-OD1 3.43Å; W625-N655 PolarHBondContact NE1-OD1 3.21Å; W625-A660 HydrophobicContact CB-CB 4.07Å; W625-V666 CarbonylContact O-C 3.53Å; W625-V666 WeakPolarHBondContact O-CA 3.48Å; W625-V667 HydrophobicContact CE3-CB 4.45Å; W625-V667 HydrophobicContact CE3-CG1 4.42Å; W625-V667 PolarHBondContact N-O 3.28Å; W625-V667 PolarHBondContact O-N 3.5Å; W625-N669 HydrophobicContact CZ3-CB 4.47Å
626	T	95.6	Very high	91.7	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.018	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.2	-179.9	-172.5	0	0	0	0	111.3	V552 Y553 F555 A630 F710	V552-T626 CarbonylContact C-O 3.56Å; V552-T626 WeakPolarHBondContact CA-O 3.44Å; Y553-T626 PolarHBondContact N-O 2.85Å; Y553-T626 PolarHBondContact O-N 3.14Å; F555-T626 HydrophobicContact CD2-CG2 4.48Å; F555-T626 HydrophobicContact CE2-CG2 4Å; T626-A630 VanDerWaalsContact OG1-CB 3.24Å; T626-A630 WeakPolarHBondContact OG1-CB 3.5Å; T626-F710 WeakPolarHBondContact CB-O 3.47Å; T626-F710 HydrophobicContact CG2-CB 4.5Å; T626-F710 PolarHBondContact OG1-O 3.43Å
627	P	90.4	Very high	91.9	Very high	4 Å²	4	18.3 Å²	18.3	3%	0.026	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	142.3	168.9	-20.7	28.2	0	0	0	111.8	N629 A630	P627-N629 VanDerWaalsContact CB-OD1 3.27Å; P627-N629 WeakPolarHBondContact CB-OD1 3.36Å; P627-N629 PolarHBondContact O-N 3.49Å; P627-N629 VanDerWaalsContact O-N 3.12Å; P627-A630 HydrophobicContact CB-CB 4.16Å; P627-A630 HydrophobicContact CG-CB 4.3Å; P627-A630 WeakPolarHBondContact O-CB 3.5Å; P627-A630 PolarHBondContact O-N 3.35Å
628	A	86.2	Confident	92	Very high	23 Å²	23	17 Å²	17	19%	0.19	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.4	178.1	0	0	0	0	0	113.7	G529 R551 Y553	G529-A628 PolarHBondContact N-O 2.85Å; R551-A628 HydrophobicContact CB-CB 3.92Å; R551-A628 HydrophobicContact CG-CB 3.95Å; R551-A628 WeakPolarHBondContact O-CB 3.41Å; R551-A628 PolarHBondContact O-N 3.11Å; Y553-A628 HydrophobicContact CD2-CB 4.21Å; Y553-A628 HydrophobicContact CE1-CB 4.13Å; Y553-A628 VanDerWaalsContact CE2-CA 3.48Å; Y553-A628 HydrophobicContact CE2-CB 3.59Å
629	N	80.2	Confident	92.1	Very high	109 Å²	109	14.5 Å²	14.5	58%	0.583	8%	0.08	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	16.1	176.5	60.7	4.6	0	0	0	113.5	P627 H631	P627-N629 VanDerWaalsContact CB-OD1 3.27Å; P627-N629 WeakPolarHBondContact CB-OD1 3.36Å; P627-N629 PolarHBondContact O-N 3.49Å; P627-N629 VanDerWaalsContact O-N 3.12Å; N629-H631 PolarHBondContact O-N 3.47Å
630	A	78.8	Confident	92.2	Very high	6 Å²	6	14.4 Å²	14.4	5%	0.05	8%	0.08	C	C	.	.			trans	-65.9	126.2	-178.2	0	0	0	0	0	112.5	T626 P627 A633 G711	T626-A630 VanDerWaalsContact OG1-CB 3.24Å; T626-A630 WeakPolarHBondContact OG1-CB 3.5Å; P627-A630 HydrophobicContact CB-CB 4.16Å; P627-A630 HydrophobicContact CG-CB 4.3Å; P627-A630 WeakPolarHBondContact O-CB 3.5Å; P627-A630 PolarHBondContact O-N 3.35Å; A630-A633 HydrophobicContact CB-CB 4.25Å; A630-G711 WeakPolarHBondContact O-CA 3.35Å
631	H	77.9	Confident	92.1	Very high	89 Å²	89	14.6 Å²	14.6	41%	0.412	8%	0.081	S	C	.	.	S	Bend	trans	-148.7	112.6	175.4	170.7	-105.3	0	0	0	109.4	N629 A633 G711	N629-H631 PolarHBondContact O-N 3.47Å; H631-A633 PolarHBondContact O-N 2.73Å; H631-G711 CarbonylContact C-O 3.47Å; H631-G711 PolarHBondContact N-O 3.46Å
632	N	78.7	Confident	91.9	Very high	45 Å²	45	15.5 Å²	15.5	24%	0.241	9%	0.092	C	C	.	.	S	Bend	trans	51.9	37.3	-169.9	-54.2	-91.4	0	0	0	113.1	G711 D713 R1088	N632-G711 PolarHBondContact N-O 3.42Å; N632-D713 HydrophobicContact CB-CB 4.04Å; N632-R1088 PolarHBondContact OD1-NH1 2.76Å
633	A	82.9	Confident	91.7	Very high	9 Å²	9	15.6 Å²	15.6	7%	0.074	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	148.2	177.7	0	0	0	0	0	111.2	A630 H631 V666 G711 G712 D713	A630-A633 HydrophobicContact CB-CB 4.25Å; H631-A633 PolarHBondContact O-N 2.73Å; A633-V666 HydrophobicContact CB-CG2 3.96Å; A633-G711 PolarHBondContact N-O 3.16Å; A633-G712 CarbonylContact O-C 3.5Å; A633-G712 WeakPolarHBondContact O-CA 3.49Å; A633-D713 PolarHBondContact O-N 2.63Å
634	P	90.6	Very high	91.6	Very high	3 Å²	3	15.6 Å²	15.6	2%	0.019	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	149.5	173.2	30.4	-36.5	0	0	0	110.1	T665 V666 Q716 I995 R996	P634-T665 HydrophobicContact CG-CG2 4.41Å; P634-V666 PolarHBondContact O-N 3.14Å; P634-Q716 HydrophobicContact CB-CB 4.46Å; P634-I995 HydrophobicContact CB-CD1 4.41Å; P634-I995 HydrophobicContact CB-CG1 4.33Å; P634-I995 HydrophobicContact CG-CD1 4.35Å; P634-I995 HydrophobicContact CG-CG1 4.47Å; P634-R996 HydrophobicContact CG-CG 4.05Å; P634-R996 VanDerWaalsContact CG-CZ 3.48Å
635	V	96	Very high	91.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.4	-177	-174.9	0	0	0	0	108.7	V637 V666 V668 I703 I707 Q716 V717 T718	V635-V637 HydrophobicContact CG1-CG2 4.03Å; V635-V666 CarbonylContact C-O 3.5Å; V635-V666 VanDerWaalsContact CA-O 3.3Å; V635-V666 WeakPolarHBondContact CA-O 3.43Å; V635-V666 HydrophobicContact CG2-CB 4.28Å; V635-V668 HydrophobicContact CG1-CG2 4.01Å; V635-I703 HydrophobicContact CG1-CG2 4.39Å; V635-I707 HydrophobicContact CG1-CD1 4.4Å; V635-I707 HydrophobicContact CG1-CG1 3.94Å; V635-I707 HydrophobicContact CG2-CG1 3.76Å; V635-I707 HydrophobicContact CG2-CG2 4.08Å; V635-Q716 PolarHBondContact N-O 2.84Å; V635-Q716 VanDerWaalsContact N-O 3.12Å; V635-V717 HydrophobicContact CB-CG2 3.94Å; V635-V717 HydrophobicContact CG1-CG2 4.24Å; V635-V717 HydrophobicContact CG2-CG2 4.32Å; V635-V717 CarbonylContact O-C 3.14Å; V635-V717 WeakPolarHBondContact O-CA 3.26Å; V635-T718 PolarHBondContact O-N 2.85Å
636	L	97.8	Very high	91.3	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.016	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.2	174.3	176.9	60.4	0	0	0	108.8	L659 T665 V666 V667 V668 T718 M720 I746 I995	L636-L659 HydrophobicContact CD2-CD1 4.03Å; L636-T665 HydrophobicContact CB-CG2 4.12Å; L636-V666 PolarHBondContact N-O 3.11Å; L636-V667 WeakPolarHBondContact O-CA 3.36Å; L636-V668 PolarHBondContact O-N 3.21Å; L636-T718 HydrophobicContact CD1-CG2 4.4Å; L636-M720 HydrophobicContact CD1-CB 3.64Å; L636-M720 HydrophobicContact CD1-CE 4.38Å; L636-M720 HydrophobicContact CD1-CG 4.39Å; L636-M720 HydrophobicContact CD1-SD 3.89Å; L636-M720 HydrophobicContact CD2-CE 4.02Å; L636-M720 HydrophobicContact CD2-SD 4.2Å; L636-M720 HydrophobicContact CG-CE 4.41Å; L636-M720 HydrophobicContact CG-SD 4.49Å; L636-I746 HydrophobicContact CD1-CD1 4.33Å; L636-I995 HydrophobicContact CB-CD1 4.47Å; L636-I995 HydrophobicContact CD1-CG2 4.18Å
637	V	98.6	Very high	91.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	113.3	-177.4	-173.4	0	0	0	0	109.7	V635 V668 I670 L700 I703 V717 T718 I719 M720	V635-V637 HydrophobicContact CG1-CG2 4.03Å; V637-V668 CarbonylContact C-O 3.39Å; V637-V668 WeakPolarHBondContact CA-O 3.46Å; V637-V668 HydrophobicContact CG2-CB 4.33Å; V637-I670 HydrophobicContact CG1-CG2 3.99Å; V637-L700 HydrophobicContact CB-CD2 4.36Å; V637-L700 HydrophobicContact CG1-CD2 3.96Å; V637-L700 HydrophobicContact CG2-CD2 4.4Å; V637-I703 HydrophobicContact CG1-CD1 3.78Å; V637-I703 HydrophobicContact CG2-CD1 3.86Å; V637-I703 HydrophobicContact CG2-CG2 4.41Å; V637-V717 HydrophobicContact CG2-CG1 3.84Å; V637-T718 PolarHBondContact N-O 3.06Å; V637-I719 HydrophobicContact CB-CG2 4.37Å; V637-M720 PolarHBondContact O-N 3.17Å
638	W	98.6	Very high	91.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	127.9	179.4	177.6	-117.4	0	0	0	112.4	Y654 V668 N669 I670 M720 E722 I962 F966	W638-Y654 AromaticContact CD1-CD2 3.98Å; W638-Y654 AromaticContact CD1-CG 3.85Å; W638-Y654 AromaticContact CE2-CD1 3.77Å; W638-Y654 AromaticContact CE2-CE1 3.82Å; W638-Y654 AromaticContact CZ2-CD1 3.83Å; W638-Y654 HydrophobicContact CZ2-CD1 3.83Å; W638-Y654 AromaticContact CZ2-CE1 3.5Å; W638-Y654 HydrophobicContact CZ2-CE1 3.5Å; W638-Y654 AromaticContact CZ2-CZ 3.99Å; W638-Y654 AromaticContact NE1-CD1 3.32Å; W638-Y654 VanDerWaalsContact NE1-CD1 3.32Å; W638-Y654 AromaticContact NE1-CD2 3.34Å; W638-Y654 VanDerWaalsContact NE1-CD2 3.34Å; W638-Y654 AromaticContact NE1-CE1 3.57Å; W638-Y654 AromaticContact NE1-CE2 3.56Å; W638-Y654 AromaticContact NE1-CG 3.22Å; W638-Y654 AromaticContact NE1-CZ 3.68Å; W638-V668 PolarHBondContact N-O 3.12Å; W638-N669 HydrophobicContact CB-CB 3.82Å; W638-N669 HydrophobicContact CG-CB 4.27Å; W638-I670 PolarHBondContact O-N 3.19Å; W638-M720 CarbonylContact C-O 3.58Å; W638-M720 WeakPolarHBondContact CA-O 3.48Å; W638-M720 HydrophobicContact CD2-CE 4.21Å; W638-M720 HydrophobicContact CE3-CB 4.27Å; W638-M720 HydrophobicContact CE3-CE 3.34Å; W638-M720 HydrophobicContact CE3-CG 3.75Å; W638-M720 HydrophobicContact CE3-SD 4.35Å; W638-M720 HydrophobicContact CZ3-CE 3.69Å; W638-M720 HydrophobicContact CZ3-CG 3.83Å; W638-M720 HydrophobicContact CZ3-SD 4.43Å; W638-E722 HydrophobicContact CH2-CB 3.51Å; W638-E722 HydrophobicContact CZ2-CB 4.32Å; W638-E722 HydrophobicContact CZ3-CB 4.2Å; W638-I962 HydrophobicContact CH2-CD1 4.04Å; W638-I962 HydrophobicContact CH2-CG1 4.16Å; W638-I962 HydrophobicContact CH2-CG2 4.19Å; W638-I962 HydrophobicContact CZ2-CD1 4.09Å; W638-I962 HydrophobicContact CZ2-CG2 4.14Å; W638-F966 HydrophobicContact CB-CZ 4.03Å; W638-F966 AromaticContact CD2-CE2 3.96Å; W638-F966 HydrophobicContact CD2-CE2 3.96Å; W638-F966 AromaticContact CD2-CZ 3.74Å; W638-F966 HydrophobicContact CD2-CZ 3.74Å; W638-F966 HydrophobicContact CE3-CE2 4.14Å; W638-F966 HydrophobicContact CE3-CZ 4.16Å; W638-F966 HydrophobicContact CG-CE2 4.39Å; W638-F966 AromaticContact CG-CZ 3.71Å; W638-F966 HydrophobicContact CG-CZ 3.71Å; W638-F966 HydrophobicContact CH2-CE2 4.36Å; W638-F966 HydrophobicContact CZ2-CE2 4.25Å; W638-F966 HydrophobicContact CZ3-CE2 4.32Å
639	I	98.6	Very high	91.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	116.9	169	-47.3	-177.8	0	0	0	106.8	I670 Y672 Q696 M720 G721 G725 V729	I639-I670 HydrophobicContact CD1-CD1 4.5Å; I639-I670 HydrophobicContact CG1-CD1 4.08Å; I639-I670 HydrophobicContact CG1-CG1 4.33Å; I639-Y672 HydrophobicContact CG2-CD1 4.24Å; I639-Y672 HydrophobicContact CG2-CE1 3.74Å; I639-Q696 HydrophobicContact CG2-CG 4.35Å; I639-M720 PolarHBondContact N-O 3.22Å; I639-G721 WeakPolarHBondContact O-CA 3.23Å; I639-G725 WeakPolarHBondContact O-CA 3.44Å; I639-V729 HydrophobicContact CD1-CG2 4.25Å
640	F	97.9	Very high	92.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.076	C	C	.	.			trans	-79.1	156.8	-171.9	54.2	-103	0	0	0	114.3	G647 P649 Y654 I670 Y672 L674 G725	F640-G647 WeakPolarHBondContact CE2-O 3.49Å; F640-P649 HydrophobicContact CE1-CB 4.48Å; F640-P649 HydrophobicContact CE1-CG 4.48Å; F640-Y654 HydrophobicContact CB-CD2 4.34Å; F640-Y654 HydrophobicContact CB-CE2 3.53Å; F640-Y654 HydrophobicContact CG-CE2 4.37Å; F640-I670 WeakPolarHBondContact CE1-O 3.46Å; F640-Y672 HydrophobicContact CD1-CE1 4.2Å; F640-Y672 AromaticContact CD2-CE1 3.82Å; F640-Y672 HydrophobicContact CD2-CE1 3.82Å; F640-Y672 HydrophobicContact CE1-CD1 4.04Å; F640-Y672 AromaticContact CE1-CE1 3.84Å; F640-Y672 HydrophobicContact CE1-CE1 3.84Å; F640-Y672 HydrophobicContact CE2-CD1 4.2Å; F640-Y672 AromaticContact CE2-CE1 3.44Å; F640-Y672 HydrophobicContact CE2-CE1 3.44Å; F640-Y672 VanDerWaalsContact CE2-CE1 3.44Å; F640-Y672 AromaticContact CE2-CZ 3.67Å; F640-Y672 HydrophobicContact CG-CE1 4.2Å; F640-Y672 AromaticContact CZ-CD1 3.76Å; F640-Y672 HydrophobicContact CZ-CD1 3.76Å; F640-Y672 AromaticContact CZ-CE1 3.46Å; F640-Y672 HydrophobicContact CZ-CE1 3.46Å; F640-Y672 VanDerWaalsContact CZ-CE1 3.46Å; F640-Y672 PolarHBondContact O-OH 2.92Å; F640-L674 HydrophobicContact CE2-CD1 4.14Å; F640-L674 HydrophobicContact CE2-CD2 4.16Å; F640-G725 WeakPolarHBondContact O-CA 3.16Å; F640-G725 PolarHBondContact O-N 3.29Å
641	G	96.4	Very high	93.1	Very high	4 Å²	4	12 Å²	12	4%	0.041	8%	0.076	C	C	.	.			trans	-79.2	-176	171.9	0	0	0	0	0	114.6	E722	G641-E722 WeakPolarHBondContact CA-O 3.26Å; G641-E722 PolarHBondContact N-O 3.44Å
642	G	94	Very high	93.6	Very high	24 Å²	24	11.8 Å²	11.8	25%	0.247	7%	0.072	C	C	.	.	S	Bend	trans	125.7	26.4	-176.5	0	0	0	0	0	115.6	F644 A645 S646 S724	G642-F644 PolarHBondContact O-N 3.17Å; G642-F644 VanDerWaalsContact O-N 3.11Å; G642-A645 PolarHBondContact O-N 3.06Å; G642-S646 PolarHBondContact O-N 3.4Å; G642-S646 PolarHBondContact O-OG 2.87Å; G642-S724 PolarHBondContact N-OG 3.16Å
643	G	93.6	Very high	94.1	Very high	2 Å²	2	10.1 Å²	10.1	2%	0.021	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	26.2	175.1	0	0	0	0	0	114.7	A645 S724	G643-A645 PolarHBondContact O-N 3.5Å; G643-S724 PolarHBondContact N-OG 2.9Å; G643-S724 VanDerWaalsContact N-OG 3.14Å
644	F	95.8	Very high	94.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	6.2	-167.6	-56.8	-77.4	0	0	0	115.2	G642 L674 N675 F679 L693 S724 A727 W756 V814 P815	G642-F644 PolarHBondContact O-N 3.17Å; G642-F644 VanDerWaalsContact O-N 3.11Å; F644-L674 WeakPolarHBondContact O-CD2 3.22Å; F644-N675 PolarHBondContact O-N 3.47Å; F644-F679 HydrophobicContact CB-CD2 4.33Å; F644-F679 HydrophobicContact CB-CE2 3.83Å; F644-F679 HydrophobicContact CB-CZ 4.41Å; F644-F679 AromaticContact CD1-CE2 3.98Å; F644-F679 HydrophobicContact CD1-CE2 3.98Å; F644-F679 AromaticContact CD1-CZ 3.74Å; F644-F679 HydrophobicContact CD1-CZ 3.74Å; F644-F679 HydrophobicContact CE1-CZ 4.39Å; F644-F679 HydrophobicContact CG-CE2 4.23Å; F644-F679 HydrophobicContact CG-CZ 4.32Å; F644-L693 HydrophobicContact CE1-CD2 4.43Å; F644-S724 WeakPolarHBondContact CE1-O 3.43Å; F644-S724 WeakPolarHBondContact CZ-O 3.47Å; F644-S724 VanDerWaalsContact N-CB 3.26Å; F644-S724 PolarHBondContact N-OG 3.14Å; F644-S724 VanDerWaalsContact N-OG 3.14Å; F644-A727 HydrophobicContact CE2-CB 4.31Å; F644-A727 HydrophobicContact CZ-CB 3.95Å; F644-W756 HydrophobicContact CD2-CZ3 4.44Å; F644-W756 HydrophobicContact CE2-CZ3 4.07Å; F644-V814 HydrophobicContact CB-CG1 4.33Å; F644-V814 HydrophobicContact CD2-CB 4.15Å; F644-V814 HydrophobicContact CD2-CG1 4.09Å; F644-P815 HydrophobicContact CD1-CG 4.16Å; F644-P815 HydrophobicContact CD2-CG 4.3Å; F644-P815 HydrophobicContact CE1-CG 3.74Å; F644-P815 HydrophobicContact CE2-CG 3.88Å; F644-P815 HydrophobicContact CG-CG 4.43Å; F644-P815 HydrophobicContact CZ-CG 3.58Å
645	A	93.8	Very high	94.8	Very high	10 Å²	10	11.8 Å²	11.8	8%	0.083	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-19.6	-172.2	0	0	0	0	0	114.3	Q594 L595 G642 G643 F811	Q594-A645 WeakPolarHBondContact CB-O 3.21Å; L595-A645 PolarHBondContact N-O 3.45Å; G642-A645 PolarHBondContact O-N 3.06Å; G643-A645 PolarHBondContact O-N 3.5Å; A645-F811 HydrophobicContact CB-CD1 4.11Å; A645-F811 HydrophobicContact CB-CE1 4.45Å
646	S	94.5	Very high	94.7	Very high	35 Å²	35	11.8 Å²	11.8	25%	0.245	7%	0.07	C	C	.	.	S	Bend	trans	-146	-179.8	175.4	61.4	0	0	0	0	111.4	L595 G642 L674	L595-S646 WeakPolarHBondContact O-CB 3.43Å; G642-S646 PolarHBondContact O-N 3.4Å; G642-S646 PolarHBondContact O-OG 2.87Å; S646-L674 WeakPolarHBondContact O-CD2 3.22Å
647	G	94.4	Very high	94.4	Very high	4 Å²	4	11.9 Å²	11.9	4%	0.041	7%	0.071	C	C	.	.			trans	118.2	154.6	179.5	0	0	0	0	0	113.2	Q594 F640	Q594-G647 PolarHBondContact NE2-O 2.93Å; Q594-G647 PolarHBondContact OE1-O 3.4Å; F640-G647 WeakPolarHBondContact CE2-O 3.49Å
648	S	95.5	Very high	94.1	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.072	C	C	.	.			trans	-152.8	143.6	-178.8	-179.9	0	0	0	0	112.2	A591 S650 Y654	A591-S648 WeakPolarHBondContact CB-OG 3.15Å; S648-S650 PolarHBondContact O-N 2.61Å; S648-S650 PolarHBondContact OG-N 3.42Å; S648-S650 VanDerWaalsContact OG-N 3.12Å; S648-S650 PolarHBondContact OG-OG 3.06Å; S648-Y654 VanDerWaalsContact O-CD2 3.22Å; S648-Y654 WeakPolarHBondContact O-CD2 3.33Å; S648-Y654 VanDerWaalsContact O-CE2 3.22Å; S648-Y654 WeakPolarHBondContact O-CE2 3.38Å
649	P	94.4	Very high	93.7	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.006	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-7	170.9	33.8	-36.6	0	0	0	113	A589 N623 F640 N669 N671	A589-P649 HydrophobicContact CB-CG 3.72Å; N623-P649 PolarHBondContact ND2-O 2.89Å; F640-P649 HydrophobicContact CE1-CB 4.48Å; F640-P649 HydrophobicContact CE1-CG 4.48Å; P649-N669 HydrophobicContact CB-CB 4.43Å; P649-N669 WeakPolarHBondContact CB-OD1 3.28Å; P649-N669 PolarHBondContact O-ND2 2.69Å; P649-N669 PolarHBondContact O-OD1 3.08Å; P649-N671 WeakPolarHBondContact CD-OD1 3.44Å; P649-N671 HydrophobicContact CG-CB 3.95Å
650	S	93.3	Very high	93.4	Very high	14 Å²	14	12.2 Å²	12.2	10%	0.098	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-10.9	178.2	67.6	0	0	0	0	115.4	A589 S648 Y652	A589-S650 WeakPolarHBondContact O-CB 3.29Å; S648-S650 PolarHBondContact O-N 2.61Å; S648-S650 PolarHBondContact OG-N 3.42Å; S648-S650 VanDerWaalsContact OG-N 3.12Å; S648-S650 PolarHBondContact OG-OG 3.06Å; S650-Y652 PolarHBondContact O-N 3.13Å
651	L	92.4	Very high	93	Very high	9 Å²	9	12.7 Å²	12.7	5%	0.047	8%	0.077	C	C	.	.			trans	-59.4	133.4	-178.3	-59.4	-175.7	0	0	0	110.3	W609 N610 L653 Y654	W609-L651 HydrophobicContact CE3-CD1 4.36Å; N610-L651 WeakPolarHBondContact O-CD2 3.31Å; L651-L653 PolarHBondContact O-N 3.28Å; L651-Y654 HydrophobicContact CB-CD2 3.96Å; L651-Y654 HydrophobicContact CB-CE2 4.03Å; L651-Y654 HydrophobicContact CD1-CE2 3.8Å; L651-Y654 HydrophobicContact CG-CD2 4.5Å; L651-Y654 HydrophobicContact CG-CE2 4.16Å; L651-Y654 PolarHBondContact O-N 3.48Å
652	Y	88.4	Confident	92.4	Very high	85 Å²	85	16.2 Å²	16.2	33%	0.333	9%	0.094	S	C	.	.	G	3₁₀ helix	trans	-57.4	-27.9	-174.3	74.5	-92.4	0	0	0	112.9	M608 S650 Y654 N655	M608-Y652 HydrophobicContact CB-CE1 3.99Å; S650-Y652 PolarHBondContact O-N 3.13Å; Y652-Y654 PolarHBondContact O-N 3.3Å; Y652-N655 WeakPolarHBondContact O-CB 3.45Å; Y652-N655 PolarHBondContact O-N 3.14Å
653	L	89.3	Confident	91.8	Very high	9 Å²	9	16.8 Å²	16.8	5%	0.047	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-56.9	-30.5	175.5	-167.2	66.3	0	0	0	113.2	M608 W609 L651 I962 E963 F966	M608-L653 HydrophobicContact CE-CD1 4.28Å; M608-L653 HydrophobicContact CE-CD2 4.08Å; W609-L653 HydrophobicContact CE3-CD2 4.34Å; W609-L653 HydrophobicContact CH2-CD2 3.52Å; W609-L653 HydrophobicContact CZ3-CD2 3.38Å; L651-L653 PolarHBondContact O-N 3.28Å; L653-I962 HydrophobicContact CD2-CB 4.15Å; L653-I962 HydrophobicContact CD2-CD1 4.41Å; L653-I962 HydrophobicContact CD2-CG2 4.05Å; L653-I962 HydrophobicContact CG-CB 4.36Å; L653-I962 HydrophobicContact CG-CG2 3.94Å; L653-E963 HydrophobicContact CD1-CB 3.61Å; L653-F966 WeakPolarHBondContact O-CB 3.28Å; L653-F966 WeakPolarHBondContact O-CG 3.29Å
654	Y	94	Very high	91.3	Very high	3 Å²	3	18 Å²	18	1%	0.012	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-100	17.8	-174.7	-49.6	-30.9	0	0	0	113.6	W638 F640 S648 L651 Y652 G656 N669 I962 F966	W638-Y654 AromaticContact CD1-CD2 3.98Å; W638-Y654 AromaticContact CD1-CG 3.85Å; W638-Y654 AromaticContact CE2-CD1 3.77Å; W638-Y654 AromaticContact CE2-CE1 3.82Å; W638-Y654 AromaticContact CZ2-CD1 3.83Å; W638-Y654 HydrophobicContact CZ2-CD1 3.83Å; W638-Y654 AromaticContact CZ2-CE1 3.5Å; W638-Y654 HydrophobicContact CZ2-CE1 3.5Å; W638-Y654 AromaticContact CZ2-CZ 3.99Å; W638-Y654 AromaticContact NE1-CD1 3.32Å; W638-Y654 VanDerWaalsContact NE1-CD1 3.32Å; W638-Y654 AromaticContact NE1-CD2 3.34Å; W638-Y654 VanDerWaalsContact NE1-CD2 3.34Å; W638-Y654 AromaticContact NE1-CE1 3.57Å; W638-Y654 AromaticContact NE1-CE2 3.56Å; W638-Y654 AromaticContact NE1-CG 3.22Å; W638-Y654 AromaticContact NE1-CZ 3.68Å; F640-Y654 HydrophobicContact CB-CD2 4.34Å; F640-Y654 HydrophobicContact CB-CE2 3.53Å; F640-Y654 HydrophobicContact CG-CE2 4.37Å; S648-Y654 VanDerWaalsContact O-CD2 3.22Å; S648-Y654 WeakPolarHBondContact O-CD2 3.33Å; S648-Y654 VanDerWaalsContact O-CE2 3.22Å; S648-Y654 WeakPolarHBondContact O-CE2 3.38Å; L651-Y654 HydrophobicContact CB-CD2 3.96Å; L651-Y654 HydrophobicContact CB-CE2 4.03Å; L651-Y654 HydrophobicContact CD1-CE2 3.8Å; L651-Y654 HydrophobicContact CG-CD2 4.5Å; L651-Y654 HydrophobicContact CG-CE2 4.16Å; L651-Y654 PolarHBondContact O-N 3.48Å; Y652-Y654 PolarHBondContact O-N 3.3Å; Y654-G656 PolarHBondContact O-N 3.13Å; Y654-G656 VanDerWaalsContact O-N 3.13Å; Y654-N669 PolarHBondContact O-ND2 3.18Å; Y654-I962 HydrophobicContact CD1-CG2 3.96Å; Y654-I962 HydrophobicContact CE1-CD1 4.21Å; Y654-I962 HydrophobicContact CE1-CG2 3.92Å; Y654-F966 VanDerWaalsContact C-CD1 3.46Å; Y654-F966 HydrophobicContact CD1-CE2 4.35Å; Y654-F966 WeakPolarHBondContact O-CE1 3.46Å
655	N	92.7	Very high	91	Very high	45 Å²	45	18.1 Å²	18.1	24%	0.241	10%	0.103	C	C	.	.			trans	-69.6	105.5	-178.2	174.3	29.4	0	0	0	112	W625 Y652 S657	W625-N655 VanDerWaalsContact CE2-OD1 3.32Å; W625-N655 WeakPolarHBondContact CZ2-OD1 3.43Å; W625-N655 PolarHBondContact NE1-OD1 3.21Å; Y652-N655 WeakPolarHBondContact O-CB 3.45Å; Y652-N655 PolarHBondContact O-N 3.14Å; N655-S657 PolarHBondContact ND2-OG 3.49Å; N655-S657 PolarHBondContact O-N 3.09Å; N655-S657 VanDerWaalsContact O-N 3.11Å; N655-S657 PolarHBondContact OD1-N 3.28Å; N655-S657 PolarHBondContact OD1-OG 3Å
656	G	94	Very high	91.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-3.3	-176.4	0	0	0	0	0	116.8	Y654 T658 A660	Y654-G656 PolarHBondContact O-N 3.13Å; Y654-G656 VanDerWaalsContact O-N 3.13Å; G656-T658 VanDerWaalsContact C-N 3.29Å; G656-T658 PolarHBondContact O-N 3.19Å; G656-A660 WeakPolarHBondContact O-CB 3.21Å; G656-A660 PolarHBondContact O-N 3.2Å
657	S	92.8	Very high	91.3	Very high	4 Å²	4	16 Å²	16	3%	0.028	9%	0.087	C	C	.	.	H	α-helix	trans	-59.3	-35.8	-172.2	62.9	0	0	0	0	114.1	N655 A661	N655-S657 PolarHBondContact ND2-OG 3.49Å; N655-S657 PolarHBondContact O-N 3.09Å; N655-S657 VanDerWaalsContact O-N 3.11Å; N655-S657 PolarHBondContact OD1-N 3.28Å; N655-S657 PolarHBondContact OD1-OG 3Å; S657-A661 VanDerWaalsContact O-CB 3.31Å; S657-A661 WeakPolarHBondContact O-CB 3.36Å; S657-A661 PolarHBondContact O-N 3.13Å
658	T	91.8	Very high	91.5	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.012	9%	0.085	C	C	.	.	H	α-helix	trans	-82.3	-38.8	-172.9	-64.5	0	0	0	0	112.3	M547 G656 A660 L662 L970 N971 M988	M547-T658 WeakPolarHBondContact CE-OG1 3.26Å; G656-T658 VanDerWaalsContact C-N 3.29Å; G656-T658 PolarHBondContact O-N 3.19Å; T658-A660 VanDerWaalsContact C-N 3.32Å; T658-L662 HydrophobicContact CG2-CD1 3.71Å; T658-L662 HydrophobicContact CG2-CG 4.3Å; T658-L662 WeakPolarHBondContact O-CB 3.46Å; T658-L662 WeakPolarHBondContact O-CG 3.5Å; T658-L662 PolarHBondContact O-N 3.49Å; T658-L970 HydrophobicContact CG2-CB 4.27Å; T658-N971 PolarHBondContact OG1-OD1 3.29Å; T658-M988 HydrophobicContact CG2-CE 4.38Å; T658-M988 HydrophobicContact CG2-SD 4.18Å
659	L	91	Very high	91.6	Very high	6 Å²	6	15.8 Å²	15.8	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	-59.7	-42.6	166.6	-82.6	172.6	0	0	0	111.7	L636 Y663 V667 I965 F966 M988	L636-L659 HydrophobicContact CD2-CD1 4.03Å; L659-Y663 HydrophobicContact CD2-CD2 4.3Å; L659-Y663 WeakPolarHBondContact O-CB 3.24Å; L659-Y663 PolarHBondContact O-N 3.36Å; L659-V667 HydrophobicContact CB-CG2 3.75Å; L659-V667 HydrophobicContact CD1-CG2 4.4Å; L659-I965 WeakPolarHBondContact CD1-O 3.23Å; L659-I965 WeakPolarHBondContact CG-O 3.47Å; L659-F966 HydrophobicContact CD1-CD1 4.25Å; L659-M988 HydrophobicContact CD2-CB 4Å; L659-M988 HydrophobicContact CD2-CG 3.71Å; L659-M988 HydrophobicContact CD2-SD 3.98Å; L659-M988 HydrophobicContact CG-CG 4.45Å; L659-M988 HydrophobicContact CG-SD 4.28Å
660	A	91.9	Very high	91.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.7	-53.5	176.8	0	0	0	0	0	111.8	V552 W625 G656 T658 G664 T665	V552-A660 HydrophobicContact CG1-CB 4.13Å; V552-A660 HydrophobicContact CG2-CB 4.12Å; W625-A660 HydrophobicContact CB-CB 4.07Å; G656-A660 WeakPolarHBondContact O-CB 3.21Å; G656-A660 PolarHBondContact O-N 3.2Å; T658-A660 VanDerWaalsContact C-N 3.32Å; A660-G664 WeakPolarHBondContact O-CA 3.37Å; A660-G664 PolarHBondContact O-N 3.39Å; A660-T665 VanDerWaalsContact CA-O 3.31Å; A660-T665 WeakPolarHBondContact CA-O 3.43Å; A660-T665 WeakPolarHBondContact CB-O 3.42Å
661	A	88.5	Confident	92	Very high	10 Å²	10	15.1 Å²	15.1	8%	0.083	8%	0.08	C	C	.	.	H	α-helix	trans	-63.5	-46.5	-176.7	0	0	0	0	0	113.9	M547 Q550 V552 S657	M547-A661 HydrophobicContact CB-CB 3.42Å; M547-A661 VanDerWaalsContact CB-CB 3.42Å; M547-A661 HydrophobicContact CG-CB 3.76Å; Q550-A661 HydrophobicContact CB-CB 4.22Å; V552-A661 HydrophobicContact CG2-CB 3.74Å; S657-A661 VanDerWaalsContact O-CB 3.31Å; S657-A661 WeakPolarHBondContact O-CB 3.36Å; S657-A661 PolarHBondContact O-N 3.13Å
662	L	83.8	Confident	92.2	Very high	78 Å²	78	14.7 Å²	14.7	41%	0.408	8%	0.078	S	C	.	.	H	α-helix	trans	-79.8	-29.2	-173.1	-66.6	178.2	0	0	0	113.3	T658 L970 M988	T658-L662 HydrophobicContact CG2-CD1 3.71Å; T658-L662 HydrophobicContact CG2-CG 4.3Å; T658-L662 WeakPolarHBondContact O-CB 3.46Å; T658-L662 WeakPolarHBondContact O-CG 3.5Å; T658-L662 PolarHBondContact O-N 3.49Å; L662-L970 HydrophobicContact CD1-CD2 4.15Å; L662-M988 HydrophobicContact CD1-CE 3.84Å
663	Y	82.4	Confident	92.7	Very high	35 Å²	35	11 Å²	11	14%	0.137	6%	0.063	C	C	.	.	H	α-helix	trans	-122.6	-0.7	-169.2	-59.4	-80.5	0	0	0	114.8	L659 R985 M988 E989 N992 R996	L659-Y663 HydrophobicContact CD2-CD2 4.3Å; L659-Y663 WeakPolarHBondContact O-CB 3.24Å; L659-Y663 PolarHBondContact O-N 3.36Å; Y663-R985 PolarHBondContact OH-O 2.73Å; Y663-M988 HydrophobicContact CD2-CB 4.21Å; Y663-M988 HydrophobicContact CE2-CB 3.39Å; Y663-M988 HydrophobicContact CE2-CE 4.06Å; Y663-M988 HydrophobicContact CE2-CG 4.21Å; Y663-M988 HydrophobicContact CE2-SD 3.89Å; Y663-E989 HydrophobicContact CE1-CG 3.79Å; Y663-N992 HydrophobicContact CD1-CB 3.82Å; Y663-N992 WeakPolarHBondContact CD1-ND2 3.19Å; Y663-N992 HydrophobicContact CG-CB 3.95Å; Y663-R996 PolarHBondContact O-NH2 3.13Å
664	G	83.6	Confident	93.1	Very high	28 Å²	28	10.5 Å²	10.5	29%	0.289	6%	0.061	S	C	.	.			trans	68.1	40	173.4	0	0	0	0	0	113.5	A660 R996	A660-G664 WeakPolarHBondContact O-CA 3.37Å; A660-G664 PolarHBondContact O-N 3.39Å; G664-R996 VanDerWaalsContact C-NH2 3.3Å; G664-R996 PolarHBondContact O-NH2 2.84Å
665	T	88.8	Confident	93.1	Very high	3 Å²	3	10.8 Å²	10.8	2%	0.018	6%	0.063	C	C	.	.			trans	-118.3	140	-171.8	-66.5	0	0	0	0	109.7	P634 L636 A660 V667 N992 I995 R996	P634-T665 HydrophobicContact CG-CG2 4.41Å; L636-T665 HydrophobicContact CB-CG2 4.12Å; A660-T665 VanDerWaalsContact CA-O 3.31Å; A660-T665 WeakPolarHBondContact CA-O 3.43Å; A660-T665 WeakPolarHBondContact CB-O 3.42Å; T665-V667 HydrophobicContact CG2-CG2 4.31Å; T665-V667 PolarHBondContact O-N 3.43Å; T665-N992 PolarHBondContact OG1-OD1 3.16Å; T665-I995 HydrophobicContact CG2-CD1 3.46Å; T665-I995 VanDerWaalsContact CG2-CD1 3.46Å; T665-R996 PolarHBondContact OG1-NH2 3.5Å
666	V	95.6	Very high	93.2	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	114.5	171.4	-173.9	0	0	0	0	108.3	I624 W625 A633 P634 V635 L636 V668 I707	I624-V666 HydrophobicContact CG2-CG1 3.74Å; W625-V666 CarbonylContact O-C 3.53Å; W625-V666 WeakPolarHBondContact O-CA 3.48Å; A633-V666 HydrophobicContact CB-CG2 3.96Å; P634-V666 PolarHBondContact O-N 3.14Å; V635-V666 CarbonylContact C-O 3.5Å; V635-V666 VanDerWaalsContact CA-O 3.3Å; V635-V666 WeakPolarHBondContact CA-O 3.43Å; V635-V666 HydrophobicContact CG2-CB 4.28Å; L636-V666 PolarHBondContact N-O 3.11Å; V666-V668 HydrophobicContact CG1-CG2 4.43Å; V666-I707 HydrophobicContact CG1-CD1 3.85Å; V666-I707 HydrophobicContact CG1-CG1 4.23Å
667	V	97.8	Very high	93.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128.2	177.7	-174.1	0	0	0	0	108.6	I624 W625 L636 L659 T665 F966	I624-V667 CarbonylContact C-O 3.6Å; I624-V667 WeakPolarHBondContact CA-O 3.2Å; W625-V667 HydrophobicContact CE3-CB 4.45Å; W625-V667 HydrophobicContact CE3-CG1 4.42Å; W625-V667 PolarHBondContact N-O 3.28Å; W625-V667 PolarHBondContact O-N 3.5Å; L636-V667 WeakPolarHBondContact O-CA 3.36Å; L659-V667 HydrophobicContact CB-CG2 3.75Å; L659-V667 HydrophobicContact CD1-CG2 4.4Å; T665-V667 HydrophobicContact CG2-CG2 4.31Å; T665-V667 PolarHBondContact O-N 3.43Å; V667-F966 HydrophobicContact CG1-CE1 4.36Å
668	V	98.5	Very high	93.6	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.8	173.7	-172.2	0	0	0	0	107.9	L622 N623 I624 V635 L636 V637 W638 V666 I670 I703 I707	L622-V668 HydrophobicContact CB-CG1 4.37Å; L622-V668 HydrophobicContact CD1-CG1 4.11Å; L622-V668 HydrophobicContact CD2-CG1 4.41Å; N623-V668 CarbonylContact O-C 3.55Å; N623-V668 VanDerWaalsContact O-CA 3.24Å; N623-V668 WeakPolarHBondContact O-CA 3.41Å; N623-V668 WeakPolarHBondContact O-CG1 3.32Å; I624-V668 HydrophobicContact CG1-CG1 4.33Å; I624-V668 HydrophobicContact CG1-CG2 4.3Å; I624-V668 HydrophobicContact CG2-CG2 4.33Å; V635-V668 HydrophobicContact CG1-CG2 4.01Å; L636-V668 PolarHBondContact O-N 3.21Å; V637-V668 CarbonylContact C-O 3.39Å; V637-V668 WeakPolarHBondContact CA-O 3.46Å; V637-V668 HydrophobicContact CG2-CB 4.33Å; W638-V668 PolarHBondContact N-O 3.12Å; V666-V668 HydrophobicContact CG1-CG2 4.43Å; V668-I670 HydrophobicContact CG1-CG2 4.11Å; V668-I703 HydrophobicContact CB-CD1 4.36Å; V668-I703 HydrophobicContact CG1-CD1 3.8Å; V668-I703 HydrophobicContact CG1-CG1 4.33Å; V668-I707 HydrophobicContact CG2-CD1 3.78Å
669	N	97.8	Very high	93.8	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140	162.7	73.4	10.4	0	0	0	110.4	L622 N623 W625 W638 P649 Y654	L622-N669 CarbonylContact C-O 3.52Å; L622-N669 VanDerWaalsContact CA-O 3.27Å; L622-N669 WeakPolarHBondContact CA-O 3.23Å; L622-N669 VanDerWaalsContact CB-O 3.24Å; L622-N669 WeakPolarHBondContact CB-O 3.47Å; N623-N669 VanDerWaalsContact CB-OD1 3.3Å; N623-N669 WeakPolarHBondContact CB-OD1 3.33Å; N623-N669 PolarHBondContact N-O 3.2Å; N623-N669 PolarHBondContact ND2-OD1 2.96Å; N623-N669 PolarHBondContact O-N 2.85Å; W625-N669 HydrophobicContact CZ3-CB 4.47Å; W638-N669 HydrophobicContact CB-CB 3.82Å; W638-N669 HydrophobicContact CG-CB 4.27Å; P649-N669 HydrophobicContact CB-CB 4.43Å; P649-N669 WeakPolarHBondContact CB-OD1 3.28Å; P649-N669 PolarHBondContact O-ND2 2.69Å; P649-N669 PolarHBondContact O-OD1 3.08Å; Y654-N669 PolarHBondContact O-ND2 3.18Å
670	I	98.2	Very high	94.1	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	144.1	-169.6	67.3	170.2	0	0	0	110.8	L622 V637 W638 I639 F640 V668 Q696 A699 I703	L622-I670 HydrophobicContact CB-CB 4.42Å; L622-I670 HydrophobicContact CB-CG2 4.01Å; L622-I670 HydrophobicContact CD2-CG2 4.26Å; V637-I670 HydrophobicContact CG1-CG2 3.99Å; W638-I670 PolarHBondContact O-N 3.19Å; I639-I670 HydrophobicContact CD1-CD1 4.5Å; I639-I670 HydrophobicContact CG1-CD1 4.08Å; I639-I670 HydrophobicContact CG1-CG1 4.33Å; F640-I670 WeakPolarHBondContact CE1-O 3.46Å; V668-I670 HydrophobicContact CG1-CG2 4.11Å; I670-Q696 HydrophobicContact CD1-CB 4.06Å; I670-Q696 HydrophobicContact CD1-CG 4.08Å; I670-A699 HydrophobicContact CB-CB 4.01Å; I670-A699 HydrophobicContact CD1-CB 3.82Å; I670-A699 HydrophobicContact CG2-CB 3.79Å; I670-I703 HydrophobicContact CG2-CD1 4.14Å
671	N	97.7	Very high	94.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.054	C	C	.	.			trans	-83.8	164.9	163.6	-136.1	-11	0	0	0	110.9	Y560 Q590 C592 C619 T621 P649	Y560-N671 PolarHBondContact OH-O 3.11Å; Q590-N671 PolarHBondContact O-ND2 3.25Å; C592-N671 PolarHBondContact SG-OD1 2.92Å; C619-N671 WeakPolarHBondContact O-CB 3.33Å; C619-N671 PolarHBondContact O-ND2 3.19Å; T621-N671 VanDerWaalsContact O-CB 3.23Å; T621-N671 WeakPolarHBondContact O-CB 3.33Å; T621-N671 PolarHBondContact O-N 3.33Å; P649-N671 WeakPolarHBondContact CD-OD1 3.44Å; P649-N671 HydrophobicContact CG-CB 3.95Å
672	Y	98.5	Very high	94.6	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.05	C	C	.	.			trans	-162.7	154.1	169.3	60.4	-84.9	0	0	0	109.4	C592 I639 F640 L674 Q696	C592-Y672 VanDerWaalsContact SG-C 3.57Å; C592-Y672 PolarHBondContact SG-O 3.47Å; I639-Y672 HydrophobicContact CG2-CD1 4.24Å; I639-Y672 HydrophobicContact CG2-CE1 3.74Å; F640-Y672 HydrophobicContact CD1-CE1 4.2Å; F640-Y672 AromaticContact CD2-CE1 3.82Å; F640-Y672 HydrophobicContact CD2-CE1 3.82Å; F640-Y672 HydrophobicContact CE1-CD1 4.04Å; F640-Y672 AromaticContact CE1-CE1 3.84Å; F640-Y672 HydrophobicContact CE1-CE1 3.84Å; F640-Y672 HydrophobicContact CE2-CD1 4.2Å; F640-Y672 AromaticContact CE2-CE1 3.44Å; F640-Y672 HydrophobicContact CE2-CE1 3.44Å; F640-Y672 VanDerWaalsContact CE2-CE1 3.44Å; F640-Y672 AromaticContact CE2-CZ 3.67Å; F640-Y672 HydrophobicContact CG-CE1 4.2Å; F640-Y672 AromaticContact CZ-CD1 3.76Å; F640-Y672 HydrophobicContact CZ-CD1 3.76Å; F640-Y672 AromaticContact CZ-CE1 3.46Å; F640-Y672 HydrophobicContact CZ-CE1 3.46Å; F640-Y672 VanDerWaalsContact CZ-CE1 3.46Å; F640-Y672 PolarHBondContact O-OH 2.92Å; Y672-L674 HydrophobicContact CD2-CD2 4.22Å; Y672-L674 HydrophobicContact CE2-CD2 3.53Å; Y672-L674 HydrophobicContact CE2-CG 4.41Å; Y672-Q696 HydrophobicContact CD1-CG 3.94Å; Y672-Q696 VanDerWaalsContact CD1-NE2 3.34Å; Y672-Q696 HydrophobicContact CD2-CG 4.36Å; Y672-Q696 VanDerWaalsContact CE2-NE2 3.26Å; Y672-Q696 HydrophobicContact CG-CG 3.76Å; Y672-Q696 VanDerWaalsContact CG-NE2 3.3Å; Y672-Q696 VanDerWaalsContact CZ-NE2 3.34Å
673	R	98.4	Very high	94.8	Very high	7 Å²	7	10.1 Å²	10.1	3%	0.026	6%	0.056	C	C	.	.			trans	-66.6	138.3	179.9	-74	171.7	-76.6	174.5	-4.9	111.7	P564 R571 L620 F677 G678 D695	P564-R673 HydrophobicContact CG-CG 4.21Å; R571-R673 PolarHBondContact O-NH1 3.23Å; R571-R673 PolarHBondContact O-NH2 3.35Å; L620-R673 HydrophobicContact CD2-CG 4.23Å; R673-F677 HydrophobicContact CB-CB 4.34Å; R673-G678 WeakPolarHBondContact O-CA 3.31Å; R673-D695 VanDerWaalsContact CB-OD2 3.24Å; R673-D695 WeakPolarHBondContact CB-OD2 3.46Å; R673-D695 VanDerWaalsContact CG-OD2 3.3Å; R673-D695 WeakPolarHBondContact CG-OD2 3.06Å; R673-D695 IonicContact CZ-OD1 3.82Å; R673-D695 IonicContact CZ-OD2 3.13Å; R673-D695 PolarHBondContact N-OD2 2.93Å; R673-D695 IonicContact NE-OD1 3.36Å; R673-D695 PolarHBondContact NE-OD1 3.22Å; R673-D695 IonicContact NE-OD2 2.73Å; R673-D695 PolarHBondContact NE-OD2 2.84Å; R673-D695 IonicContact NH2-OD1 2.91Å; R673-D695 PolarHBondContact NH2-OD1 2.92Å; R673-D695 IonicContact NH2-OD2 3.57Å
674	L	96.9	Very high	95.1	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.062	C	C	.	.			trans	-112.5	161.9	-175.4	-68.1	163.3	0	0	0	111.4	Q594 F640 F644 S646 Y672 F677 G678	Q594-L674 HydrophobicContact CB-CD1 4.04Å; F640-L674 HydrophobicContact CE2-CD1 4.14Å; F640-L674 HydrophobicContact CE2-CD2 4.16Å; F644-L674 WeakPolarHBondContact O-CD2 3.22Å; S646-L674 WeakPolarHBondContact O-CD2 3.22Å; Y672-L674 HydrophobicContact CD2-CD2 4.22Å; Y672-L674 HydrophobicContact CE2-CD2 3.53Å; Y672-L674 HydrophobicContact CE2-CG 4.41Å; L674-F677 WeakPolarHBondContact O-CB 3.36Å; L674-F677 PolarHBondContact O-N 3.48Å; L674-G678 PolarHBondContact O-N 3.43Å; L674-G678 VanDerWaalsContact O-N 3.11Å
675	N	94.5	Very high	95.2	Very high	9 Å²	9	20.5 Å²	20.5	5%	0.048	9%	0.09	C	C	.	.	H	α-helix	trans	51.8	-142.7	171.9	-157	-34	0	0	0	110.5	F644 F677 G678 F679	F644-N675 PolarHBondContact O-N 3.47Å; N675-F677 PolarHBondContact O-N 2.85Å; N675-F677 VanDerWaalsContact O-N 3.12Å; N675-G678 PolarHBondContact O-N 3.04Å; N675-F679 PolarHBondContact O-N 3Å
676	I	95.5	Very high	95.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-53.8	-27.7	175.5	-164.8	166.1	0	0	0	114.2	F570 F680 V771 I796 T800 F813	F570-I676 HydrophobicContact CE1-CG1 4.43Å; F570-I676 WeakPolarHBondContact CE1-O 3.33Å; I676-F680 HydrophobicContact CD1-CD2 4.06Å; I676-F680 HydrophobicContact CG1-CB 3.85Å; I676-F680 HydrophobicContact CG1-CD2 3.84Å; I676-F680 HydrophobicContact CG1-CG 4.26Å; I676-F680 WeakPolarHBondContact O-CB 3.25Å; I676-F680 PolarHBondContact O-N 2.67Å; I676-F680 VanDerWaalsContact O-N 3.12Å; I676-V771 HydrophobicContact CD1-CB 4.09Å; I676-V771 HydrophobicContact CD1-CG1 3.58Å; I676-I796 HydrophobicContact CD1-CG2 3.88Å; I676-I796 HydrophobicContact CG1-CG2 4.41Å; I676-I796 HydrophobicContact CG2-CG2 3.72Å; I676-T800 HydrophobicContact CB-CG2 4.43Å; I676-T800 HydrophobicContact CG2-CG2 4.46Å; I676-F813 HydrophobicContact CB-CD1 4.18Å; I676-F813 HydrophobicContact CB-CD2 4.16Å; I676-F813 HydrophobicContact CB-CE1 4.29Å; I676-F813 HydrophobicContact CB-CE2 4.3Å; I676-F813 HydrophobicContact CB-CG 4.12Å; I676-F813 HydrophobicContact CB-CZ 4.36Å; I676-F813 HydrophobicContact CD1-CE1 4.13Å; I676-F813 HydrophobicContact CD1-CE2 4.22Å; I676-F813 HydrophobicContact CD1-CZ 3.79Å; I676-F813 HydrophobicContact CG1-CD1 4.16Å; I676-F813 HydrophobicContact CG1-CE1 3.85Å; I676-F813 HydrophobicContact CG1-CE2 4.39Å; I676-F813 HydrophobicContact CG1-CZ 3.98Å
677	F	97.2	Very high	95.3	Very high	9 Å²	9	22.4 Å²	22.4	4%	0.039	10%	0.1	C	C	.	.	H	α-helix	trans	-73.8	-28.8	176	-58.1	-78.1	0	0	0	113.3	R569 F570 R673 L674 N675 P793 I796 L797	R569-F677 HydrophobicContact CG-CD1 4.31Å; F570-F677 HydrophobicContact CE1-CD1 4.49Å; R673-F677 HydrophobicContact CB-CB 4.34Å; L674-F677 WeakPolarHBondContact O-CB 3.36Å; L674-F677 PolarHBondContact O-N 3.48Å; N675-F677 PolarHBondContact O-N 2.85Å; N675-F677 VanDerWaalsContact O-N 3.12Å; F677-P793 HydrophobicContact CE1-CB 3.91Å; F677-P793 HydrophobicContact CZ-CB 3.58Å; F677-I796 HydrophobicContact CE1-CD1 4.1Å; F677-I796 HydrophobicContact CZ-CB 4.23Å; F677-I796 HydrophobicContact CZ-CD1 4.48Å; F677-I796 HydrophobicContact CZ-CG2 4.38Å; F677-L797 HydrophobicContact CE2-CD1 4.29Å; F677-L797 HydrophobicContact CE2-CD2 3.83Å; F677-L797 HydrophobicContact CE2-CG 3.79Å; F677-L797 HydrophobicContact CZ-CG 4.37Å
678	G	97.1	Very high	95.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-95.7	-23.4	179.2	0	0	0	0	0	114.8	R673 L674 N675 V691 G692	R673-G678 WeakPolarHBondContact O-CA 3.31Å; L674-G678 PolarHBondContact O-N 3.43Å; L674-G678 VanDerWaalsContact O-N 3.11Å; N675-G678 PolarHBondContact O-N 3.04Å; G678-V691 WeakPolarHBondContact O-CG2 3.46Å; G678-V691 PolarHBondContact O-N 3.44Å; G678-V691 VanDerWaalsContact O-N 3.11Å; G678-G692 PolarHBondContact O-N 3.21Å
679	F	96.6	Very high	94.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-139.4	13.8	-166.6	-56.2	-77.4	0	0	0	114.5	F644 N675 L693 L764 F813 P815	F644-F679 HydrophobicContact CB-CD2 4.33Å; F644-F679 HydrophobicContact CB-CE2 3.83Å; F644-F679 HydrophobicContact CB-CZ 4.41Å; F644-F679 AromaticContact CD1-CE2 3.98Å; F644-F679 HydrophobicContact CD1-CE2 3.98Å; F644-F679 AromaticContact CD1-CZ 3.74Å; F644-F679 HydrophobicContact CD1-CZ 3.74Å; F644-F679 HydrophobicContact CE1-CZ 4.39Å; F644-F679 HydrophobicContact CG-CE2 4.23Å; F644-F679 HydrophobicContact CG-CZ 4.32Å; N675-F679 PolarHBondContact O-N 3Å; F679-L693 HydrophobicContact CE1-CG 4.2Å; F679-L764 WeakPolarHBondContact O-CD1 3.36Å; F679-L764 WeakPolarHBondContact O-CD2 3.45Å; F679-F813 HydrophobicContact CB-CB 4.11Å; F679-P815 HydrophobicContact CD1-CG 4.27Å; F679-P815 HydrophobicContact CE1-CB 4.22Å; F679-P815 HydrophobicContact CE1-CG 3.64Å; F679-P815 HydrophobicContact CZ-CG 4.15Å
680	F	95.9	Very high	94.8	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	11%	0.106	C	C	.	.			trans	-61.9	145.4	165.3	179.3	-99.6	0	0	0	111.3	F570 I676 L682 A687 L785 L788 F813	F570-F680 HydrophobicContact CB-CD1 4.21Å; F570-F680 HydrophobicContact CD1-CB 3.62Å; F570-F680 AromaticContact CD1-CD1 3.89Å; F570-F680 HydrophobicContact CD1-CD1 3.89Å; F570-F680 AromaticContact CD1-CG 3.97Å; F570-F680 HydrophobicContact CD1-CG 3.97Å; F570-F680 HydrophobicContact CD2-CD1 4.32Å; F570-F680 HydrophobicContact CE1-CB 3.89Å; F570-F680 HydrophobicContact CE1-CD1 4.31Å; F570-F680 HydrophobicContact CE1-CG 4.12Å; F570-F680 HydrophobicContact CG-CB 4.41Å; F570-F680 AromaticContact CG-CD1 3.87Å; F570-F680 HydrophobicContact CG-CD1 3.87Å; F570-F680 HydrophobicContact CG-CG 4.43Å; I676-F680 HydrophobicContact CD1-CD2 4.06Å; I676-F680 HydrophobicContact CG1-CB 3.85Å; I676-F680 HydrophobicContact CG1-CD2 3.84Å; I676-F680 HydrophobicContact CG1-CG 4.26Å; I676-F680 WeakPolarHBondContact O-CB 3.25Å; I676-F680 PolarHBondContact O-N 2.67Å; I676-F680 VanDerWaalsContact O-N 3.12Å; F680-L682 HydrophobicContact CE1-CD1 3.59Å; F680-L682 HydrophobicContact CE1-CD2 4.43Å; F680-L682 HydrophobicContact CE1-CG 3.58Å; F680-L682 HydrophobicContact CZ-CD1 3.73Å; F680-L682 HydrophobicContact CZ-CD2 4.05Å; F680-L682 HydrophobicContact CZ-CG 3.69Å; F680-A687 HydrophobicContact CD1-CB 4.12Å; F680-A687 HydrophobicContact CE1-CB 4.14Å; F680-L785 HydrophobicContact CE1-CD1 4.35Å; F680-L788 HydrophobicContact CE1-CD1 3.98Å; F680-L788 HydrophobicContact CE2-CD1 3.53Å; F680-L788 HydrophobicContact CZ-CD1 3.2Å; F680-F813 HydrophobicContact CD2-CE1 4.32Å
681	Y	95.7	Very high	94.8	Very high	20 Å²	20	23.3 Å²	23.3	8%	0.078	11%	0.106	C	C	.	.			trans	-144	132.6	-177.1	172.7	-122.6	0	0	0	113.2	N683 P689 K761 L764 L765 S768	Y681-N683 PolarHBondContact OH-OD1 3.26Å; Y681-N683 VanDerWaalsContact OH-OD1 3.1Å; Y681-P689 HydrophobicContact CD2-CB 4.17Å; Y681-P689 VanDerWaalsContact CD2-CD 3.49Å; Y681-P689 HydrophobicContact CD2-CG 4.21Å; Y681-P689 HydrophobicContact CE2-CG 4.45Å; Y681-P689 HydrophobicContact CG-CB 4.33Å; Y681-K761 HydrophobicContact CD1-CG 4.18Å; Y681-K761 HydrophobicContact CE1-CD 4.45Å; Y681-K761 HydrophobicContact CE1-CG 3.43Å; Y681-K761 VanDerWaalsContact CE1-CG 3.43Å; Y681-K761 VanDerWaalsContact OH-CE 3.32Å; Y681-K761 WeakPolarHBondContact OH-CE 3.31Å; Y681-L764 HydrophobicContact CG-CD2 4.44Å; Y681-L765 HydrophobicContact CD1-CB 3.94Å; Y681-L765 HydrophobicContact CD1-CD1 4.27Å; Y681-L765 HydrophobicContact CE1-CB 4.03Å; Y681-L765 HydrophobicContact CE1-CD1 4.28Å; Y681-S768 PolarHBondContact N-OG 3.29Å; Y681-S768 WeakPolarHBondContact O-CB 3.17Å; Y681-S768 PolarHBondContact O-OG 3.28Å
682	L	95.1	Very high	94.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.106	C	C	.	.			trans	-131.6	167.7	164.9	-63	171.8	0	0	0	108.9	F680 D684 A687 L765 V769 E781 M784 L785	F680-L682 HydrophobicContact CE1-CD1 3.59Å; F680-L682 HydrophobicContact CE1-CD2 4.43Å; F680-L682 HydrophobicContact CE1-CG 3.58Å; F680-L682 HydrophobicContact CZ-CD1 3.73Å; F680-L682 HydrophobicContact CZ-CD2 4.05Å; F680-L682 HydrophobicContact CZ-CG 3.69Å; L682-D684 HydrophobicContact CB-CB 4.41Å; L682-D684 PolarHBondContact O-N 3.24Å; L682-A687 HydrophobicContact CB-CB 4.3Å; L682-A687 PolarHBondContact N-O 2.87Å; L682-L765 HydrophobicContact CD2-CD1 4.26Å; L682-V769 HydrophobicContact CD2-CG2 3.94Å; L682-E781 HydrophobicContact CB-CB 4.26Å; L682-E781 HydrophobicContact CD1-CB 4.14Å; L682-E781 WeakPolarHBondContact CD1-O 3.18Å; L682-E781 HydrophobicContact CD2-CB 4.41Å; L682-E781 HydrophobicContact CD2-CG 4.23Å; L682-M784 HydrophobicContact CD1-CB 4.47Å; L682-L785 HydrophobicContact CD1-CB 3.98Å
683	N	89.6	Confident	94.8	Very high	101 Å²	101	23.3 Å²	23.3	54%	0.54	11%	0.106	S	C	.	.	S	Bend	trans	-75.6	28	173.6	-54.3	-83.3	0	0	0	112.7	Y681 L765 E781	Y681-N683 PolarHBondContact OH-OD1 3.26Å; Y681-N683 VanDerWaalsContact OH-OD1 3.1Å; N683-L765 WeakPolarHBondContact ND2-CD2 3.46Å; N683-E781 VanDerWaalsContact CA-OE2 3.25Å; N683-E781 WeakPolarHBondContact CA-OE2 3.34Å; N683-E781 VanDerWaalsContact CB-OE2 3.23Å; N683-E781 WeakPolarHBondContact CB-OE2 3.42Å; N683-E781 PolarHBondContact N-OE2 3.1Å; N683-E781 PolarHBondContact ND2-OE1 2.89Å
684	D	88.2	Confident	94.8	Very high	48 Å²	48	23.8 Å²	23.8	26%	0.257	11%	0.109	S	C	.	.	S	Bend	trans	-104.4	143.7	178.4	-160	-48.7	0	0	0	110.5	L682 D686 A687 L785	L682-D684 HydrophobicContact CB-CB 4.41Å; L682-D684 PolarHBondContact O-N 3.24Å; D684-D686 PolarHBondContact O-N 3.38Å; D684-D686 PolarHBondContact OD1-N 3.38Å; D684-A687 CarbonylContact O-C 3.59Å; D684-A687 PolarHBondContact O-N 3.04Å; D684-L785 HydrophobicContact CB-CD2 4.38Å
685	R	86.2	Confident	94.9	Very high	233 Å²	233	23.8 Å²	23.8	88%	0.879	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-22.8	175.8	-63.3	-177.5	178.3	-167.9	-1.1	112.7
686	D	90.9	Very high	95.1	Very high	43 Å²	43	23.4 Å²	23.4	23%	0.23	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.3	178.7	-91.9	-7	0	0	0	114	F570 R571 D684 L785 R789	F570-D686 CarbonylContact C-O 3.57Å; R571-D686 HydrophobicContact CG-CB 4.43Å; R571-D686 IonicContact CZ-OD1 3.79Å; R571-D686 IonicContact CZ-OD2 2.71Å; R571-D686 IonicContact NE-OD1 2.7Å; R571-D686 PolarHBondContact NE-OD1 3.2Å; R571-D686 IonicContact NE-OD2 2.71Å; R571-D686 PolarHBondContact NE-OD2 3.43Å; R571-D686 IonicContact NH2-OD1 3.18Å; R571-D686 PolarHBondContact NH2-OD1 2.95Å; R571-D686 IonicContact NH2-OD2 2.72Å; R571-D686 PolarHBondContact NH2-OD2 3.31Å; D684-D686 PolarHBondContact O-N 3.38Å; D684-D686 PolarHBondContact OD1-N 3.38Å; D686-L785 HydrophobicContact CB-CD2 3.65Å; D686-R789 PolarHBondContact O-NH2 3.1Å; D686-R789 IonicContact OD2-NH1 2.73Å; D686-R789 PolarHBondContact OD2-NH1 2.98Å
687	A	95.3	Very high	95.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-142.8	56.1	174.3	0	0	0	0	0	112.9	F570 F680 L682 D684 L785	F570-A687 HydrophobicContact CB-CB 4.2Å; F680-A687 HydrophobicContact CD1-CB 4.12Å; F680-A687 HydrophobicContact CE1-CB 4.14Å; L682-A687 HydrophobicContact CB-CB 4.3Å; L682-A687 PolarHBondContact N-O 2.87Å; D684-A687 CarbonylContact O-C 3.59Å; D684-A687 PolarHBondContact O-N 3.04Å; A687-L785 HydrophobicContact CB-CD1 3.87Å; A687-L785 HydrophobicContact CB-CD2 3.85Å; A687-L785 HydrophobicContact CB-CG 4.49Å
688	P	94.8	Very high	95.2	Very high	14 Å²	14	24.7 Å²	24.7	9%	0.091	11%	0.112	C	C	.	.			trans	-70.7	162.8	175.5	33.8	-35.1	0	0	0	111.1	P572 V691 L821	P572-P688 HydrophobicContact CG-CG 3.69Å; P688-V691 HydrophobicContact CG-CG1 3.96Å; P688-L821 HydrophobicContact CB-CD2 3.87Å; P688-L821 HydrophobicContact CG-CD2 3.77Å
689	P	93.3	Very high	95.3	Very high	4 Å²	4	24.7 Å²	24.7	3%	0.026	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	174	175.3	34.2	-35.4	0	0	0	110.7	Y681 V691 L764 V816 D819	Y681-P689 HydrophobicContact CD2-CB 4.17Å; Y681-P689 VanDerWaalsContact CD2-CD 3.49Å; Y681-P689 HydrophobicContact CD2-CG 4.21Å; Y681-P689 HydrophobicContact CE2-CG 4.45Å; Y681-P689 HydrophobicContact CG-CB 4.33Å; P689-V691 VanDerWaalsContact C-N 3.27Å; P689-V691 PolarHBondContact O-N 3.38Å; P689-V691 VanDerWaalsContact O-N 3.13Å; P689-L764 HydrophobicContact CB-CD2 4.43Å; P689-V816 HydrophobicContact CB-CB 4.08Å; P689-V816 HydrophobicContact CB-CG2 4Å; P689-D819 HydrophobicContact CG-CB 3.97Å
690	N	96	Very high	95.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	20	167.9	-58.4	-22.6	0	0	0	116.7	G692 L693 L694 P815 V816 D819 F822	N690-G692 PolarHBondContact O-N 3.36Å; N690-G692 VanDerWaalsContact O-N 3.16Å; N690-L693 HydrophobicContact CB-CB 4.33Å; N690-L693 HydrophobicContact CB-CD1 4.25Å; N690-L693 HydrophobicContact CB-CG 4.4Å; N690-L693 WeakPolarHBondContact O-CA 3.44Å; N690-L693 WeakPolarHBondContact O-CB 3.33Å; N690-L693 PolarHBondContact O-N 2.95Å; N690-L694 PolarHBondContact O-N 3.2Å; N690-P815 VanDerWaalsContact OD1-CA 3.24Å; N690-P815 WeakPolarHBondContact OD1-CA 3.21Å; N690-V816 PolarHBondContact ND2-O 3.35Å; N690-V816 PolarHBondContact OD1-N 3.29Å; N690-D819 WeakPolarHBondContact ND2-CB 3.49Å; N690-D819 PolarHBondContact ND2-OD2 3.04Å; N690-F822 HydrophobicContact CB-CB 4.23Å
691	V	97.6	Very high	95.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-61.4	-27.1	179.8	-61.3	0	0	0	0	113.1	P572 G678 P688 P689 L694 D695	P572-V691 HydrophobicContact CG-CG1 4.4Å; G678-V691 WeakPolarHBondContact O-CG2 3.46Å; G678-V691 PolarHBondContact O-N 3.44Å; G678-V691 VanDerWaalsContact O-N 3.11Å; P688-V691 HydrophobicContact CG-CG1 3.96Å; P689-V691 VanDerWaalsContact C-N 3.27Å; P689-V691 PolarHBondContact O-N 3.38Å; P689-V691 VanDerWaalsContact O-N 3.13Å; V691-L694 HydrophobicContact CG1-CD1 4.41Å; V691-L694 PolarHBondContact O-N 3.34Å; V691-D695 PolarHBondContact O-N 2.82Å
692	G	98	Very high	95.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.1	-32.6	168.3	0	0	0	0	0	114.5	G678 N690 D695 Q696	G678-G692 PolarHBondContact O-N 3.21Å; N690-G692 PolarHBondContact O-N 3.36Å; N690-G692 VanDerWaalsContact O-N 3.16Å; G692-D695 WeakPolarHBondContact O-CB 3.36Å; G692-Q696 WeakPolarHBondContact O-CG 3.46Å; G692-Q696 PolarHBondContact O-N 2.86Å
693	L	98.2	Very high	95.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-76.4	-31.8	171.3	-59.5	-175.7	0	0	0	111.6	F644 F679 N690 D695 Q696 R697 S728 A731 P815 F822	F644-L693 HydrophobicContact CE1-CD2 4.43Å; F679-L693 HydrophobicContact CE1-CG 4.2Å; N690-L693 HydrophobicContact CB-CB 4.33Å; N690-L693 HydrophobicContact CB-CD1 4.25Å; N690-L693 HydrophobicContact CB-CG 4.4Å; N690-L693 WeakPolarHBondContact O-CA 3.44Å; N690-L693 WeakPolarHBondContact O-CB 3.33Å; N690-L693 PolarHBondContact O-N 2.95Å; L693-D695 VanDerWaalsContact C-N 3.31Å; L693-Q696 PolarHBondContact O-N 2.82Å; L693-R697 PolarHBondContact O-N 3.12Å; L693-S728 WeakPolarHBondContact CD2-OG 3.14Å; L693-A731 HydrophobicContact CD1-CB 4.1Å; L693-P815 HydrophobicContact CD1-CB 3.94Å; L693-P815 HydrophobicContact CD1-CG 4.13Å; L693-P815 HydrophobicContact CD2-CG 4.4Å; L693-P815 HydrophobicContact CG-CG 4.38Å; L693-F822 HydrophobicContact CB-CD1 4.47Å; L693-F822 HydrophobicContact CB-CD2 3.54Å; L693-F822 HydrophobicContact CB-CE1 4.39Å; L693-F822 HydrophobicContact CB-CE2 3.48Å; L693-F822 VanDerWaalsContact CB-CE2 3.48Å; L693-F822 HydrophobicContact CB-CG 4.07Å; L693-F822 HydrophobicContact CB-CZ 3.92Å; L693-F822 HydrophobicContact CD1-CD1 4Å; L693-F822 HydrophobicContact CD1-CE1 4Å; L693-F822 HydrophobicContact CD1-CG 4.26Å; L693-F822 HydrophobicContact CD1-CZ 4.27Å; L693-F822 WeakPolarHBondContact O-CE2 3.22Å
694	L	98.1	Very high	96	Very high	17 Å²	17	25.8 Å²	25.8	9%	0.089	12%	0.115	C	C	.	.	H	α-helix	trans	-67.7	-32.8	172.7	-64.5	169.2	0	0	0	111.6	P572 P573 N690 V691 R697 M698 L821 F822	P572-L694 HydrophobicContact CB-CD1 4.11Å; P572-L694 HydrophobicContact CG-CD1 4.32Å; P573-L694 HydrophobicContact CG-CB 4.16Å; N690-L694 PolarHBondContact O-N 3.2Å; V691-L694 HydrophobicContact CG1-CD1 4.41Å; V691-L694 PolarHBondContact O-N 3.34Å; L694-R697 PolarHBondContact O-N 2.77Å; L694-M698 WeakPolarHBondContact O-CB 3.43Å; L694-M698 PolarHBondContact O-N 2.9Å; L694-L821 HydrophobicContact CD1-CD2 3.63Å; L694-L821 HydrophobicContact CD1-CG 3.88Å; L694-L821 HydrophobicContact CD2-CG 4.48Å; L694-F822 HydrophobicContact CD2-CB 4.43Å; L694-F822 HydrophobicContact CD2-CD2 3.97Å; L694-F822 HydrophobicContact CG-CD2 4.38Å
695	D	98.7	Very high	96.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.9	-46.3	169.7	-64.5	-20.4	0	0	0	111.1	Y560 P573 L620 R673 V691 G692 L693 M698 A699	Y560-D695 WeakPolarHBondContact CE2-O 3.47Å; P573-D695 VanDerWaalsContact CB-OD1 3.31Å; P573-D695 WeakPolarHBondContact CB-OD1 3.35Å; P573-D695 WeakPolarHBondContact CG-OD1 3.24Å; L620-D695 HydrophobicContact CD2-CB 4.05Å; L620-D695 WeakPolarHBondContact CD2-OD2 3.08Å; R673-D695 VanDerWaalsContact CB-OD2 3.24Å; R673-D695 WeakPolarHBondContact CB-OD2 3.46Å; R673-D695 VanDerWaalsContact CG-OD2 3.3Å; R673-D695 WeakPolarHBondContact CG-OD2 3.06Å; R673-D695 IonicContact CZ-OD1 3.82Å; R673-D695 IonicContact CZ-OD2 3.13Å; R673-D695 PolarHBondContact N-OD2 2.93Å; R673-D695 IonicContact NE-OD1 3.36Å; R673-D695 PolarHBondContact NE-OD1 3.22Å; R673-D695 IonicContact NE-OD2 2.73Å; R673-D695 PolarHBondContact NE-OD2 2.84Å; R673-D695 IonicContact NH2-OD1 2.91Å; R673-D695 PolarHBondContact NH2-OD1 2.92Å; R673-D695 IonicContact NH2-OD2 3.57Å; V691-D695 PolarHBondContact O-N 2.82Å; G692-D695 WeakPolarHBondContact O-CB 3.36Å; L693-D695 VanDerWaalsContact C-N 3.31Å; D695-M698 PolarHBondContact O-N 2.92Å; D695-A699 PolarHBondContact O-N 3.02Å
696	Q	98.6	Very high	96.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.6	-42.9	176.8	-63.9	168.5	-1.7	0	0	111.4	I639 I670 Y672 G692 L693 M698 A699 L700 S728 H732	I639-Q696 HydrophobicContact CG2-CG 4.35Å; I670-Q696 HydrophobicContact CD1-CB 4.06Å; I670-Q696 HydrophobicContact CD1-CG 4.08Å; Y672-Q696 HydrophobicContact CD1-CG 3.94Å; Y672-Q696 VanDerWaalsContact CD1-NE2 3.34Å; Y672-Q696 HydrophobicContact CD2-CG 4.36Å; Y672-Q696 VanDerWaalsContact CE2-NE2 3.26Å; Y672-Q696 HydrophobicContact CG-CG 3.76Å; Y672-Q696 VanDerWaalsContact CG-NE2 3.3Å; Y672-Q696 VanDerWaalsContact CZ-NE2 3.34Å; G692-Q696 WeakPolarHBondContact O-CG 3.46Å; G692-Q696 PolarHBondContact O-N 2.86Å; L693-Q696 PolarHBondContact O-N 2.82Å; Q696-M698 VanDerWaalsContact C-N 3.35Å; Q696-M698 PolarHBondContact O-N 3.06Å; Q696-A699 PolarHBondContact O-N 3.11Å; Q696-L700 WeakPolarHBondContact O-CG 3.44Å; Q696-L700 PolarHBondContact O-N 3.15Å; Q696-S728 VanDerWaalsContact CD-OG 3.23Å; Q696-S728 PolarHBondContact NE2-OG 3.33Å; Q696-S728 PolarHBondContact OE1-OG 3.3Å; Q696-H732 WeakPolarHBondContact CB-NE2 3.38Å
697	R	98.1	Very high	96.8	Very high	16 Å²	16	17 Å²	17	6%	0.06	8%	0.081	C	C	.	.	H	α-helix	trans	-59.2	-43.8	173.1	-178.3	175.8	-61.6	175.8	5.5	112.1	L693 L694 L700 Q701 D737 S738 L741 F822	L693-R697 PolarHBondContact O-N 3.12Å; L694-R697 PolarHBondContact O-N 2.77Å; R697-L700 PolarHBondContact O-N 2.88Å; R697-Q701 WeakPolarHBondContact O-CG 3.38Å; R697-Q701 PolarHBondContact O-N 2.89Å; R697-D737 IonicContact NH1-OD2 3.27Å; R697-D737 PolarHBondContact NH1-OD2 3.19Å; R697-S738 PolarHBondContact NE-OG 2.79Å; R697-S738 PolarHBondContact NH2-OG 2.94Å; R697-L741 HydrophobicContact CG-CD1 3.97Å; R697-F822 HydrophobicContact CB-CE2 4.38Å; R697-F822 PolarHBondContact NH1-O 2.78Å; R697-F822 PolarHBondContact NH2-O 3.06Å
698	M	97.9	Very high	96.5	Very high	20 Å²	20	20.1 Å²	20.1	10%	0.099	11%	0.107	C	C	.	.	H	α-helix	trans	-67	-37.9	179.8	-174.2	167.4	-76	0	0	112	Y560 P573 P575 L694 D695 Q696 L700 Q701 W702	Y560-M698 HydrophobicContact CD2-CB 4.31Å; Y560-M698 HydrophobicContact CD2-CG 4.04Å; Y560-M698 HydrophobicContact CE2-CB 4.26Å; Y560-M698 HydrophobicContact CE2-CG 4.41Å; P573-M698 HydrophobicContact CB-CE 4.13Å; P573-M698 HydrophobicContact CB-SD 3.81Å; P573-M698 HydrophobicContact CG-CB 4.23Å; P573-M698 HydrophobicContact CG-CE 4.03Å; P573-M698 HydrophobicContact CG-SD 4.12Å; P573-M698 VanDerWaalsContact O-CE 3.3Å; P573-M698 WeakPolarHBondContact O-CE 3.32Å; P575-M698 HydrophobicContact CG-CE 3.98Å; P575-M698 HydrophobicContact CG-SD 4.44Å; L694-M698 WeakPolarHBondContact O-CB 3.43Å; L694-M698 PolarHBondContact O-N 2.9Å; D695-M698 PolarHBondContact O-N 2.92Å; Q696-M698 VanDerWaalsContact C-N 3.35Å; Q696-M698 PolarHBondContact O-N 3.06Å; M698-L700 VanDerWaalsContact C-N 3.34Å; M698-Q701 PolarHBondContact O-N 3.38Å; M698-W702 WeakPolarHBondContact O-CB 3.43Å; M698-W702 PolarHBondContact O-N 2.85Å
699	A	98.5	Very high	96.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.7	-43	172.1	0	0	0	0	0	111.4	Y560 I670 D695 Q696 Q701 W702 I703	Y560-A699 HydrophobicContact CD1-CB 4.09Å; Y560-A699 HydrophobicContact CD2-CB 4Å; Y560-A699 HydrophobicContact CE1-CB 3.94Å; Y560-A699 HydrophobicContact CE2-CB 3.87Å; Y560-A699 HydrophobicContact CG-CB 4.13Å; I670-A699 HydrophobicContact CB-CB 4.01Å; I670-A699 HydrophobicContact CD1-CB 3.82Å; I670-A699 HydrophobicContact CG2-CB 3.79Å; D695-A699 PolarHBondContact O-N 3.02Å; Q696-A699 PolarHBondContact O-N 3.11Å; A699-Q701 PolarHBondContact O-N 2.91Å; A699-W702 PolarHBondContact O-N 3.03Å; A699-I703 WeakPolarHBondContact O-CB 3.38Å; A699-I703 WeakPolarHBondContact O-CD1 3.4Å; A699-I703 WeakPolarHBondContact O-CG1 3.36Å; A699-I703 PolarHBondContact O-N 2.9Å
700	L	98.6	Very high	96.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.6	-36.1	175.1	-67.4	172.6	0	0	0	113.1	V637 Q696 R697 M698 I703 Q704 I719 L741	V637-L700 HydrophobicContact CB-CD2 4.36Å; V637-L700 HydrophobicContact CG1-CD2 3.96Å; V637-L700 HydrophobicContact CG2-CD2 4.4Å; Q696-L700 WeakPolarHBondContact O-CG 3.44Å; Q696-L700 PolarHBondContact O-N 3.15Å; R697-L700 PolarHBondContact O-N 2.88Å; M698-L700 VanDerWaalsContact C-N 3.34Å; L700-I703 PolarHBondContact O-N 2.85Å; L700-Q704 WeakPolarHBondContact O-CG 3.22Å; L700-Q704 PolarHBondContact O-N 3.19Å; L700-I719 HydrophobicContact CD1-CG2 4.17Å; L700-I719 HydrophobicContact CD2-CG2 3.56Å; L700-L741 HydrophobicContact CB-CB 3.96Å; L700-L741 HydrophobicContact CB-CD1 3.85Å
701	Q	97.6	Very high	95.6	Very high	80 Å²	80	21.7 Å²	21.7	37%	0.374	13%	0.126	S	C	.	.	H	α-helix	trans	-64.7	-47.5	172.1	-73.5	169.7	-26.9	0	0	111.5	R697 M698 A699 I703 Q704 E705 L741	R697-Q701 WeakPolarHBondContact O-CG 3.38Å; R697-Q701 PolarHBondContact O-N 2.89Å; M698-Q701 PolarHBondContact O-N 3.38Å; A699-Q701 PolarHBondContact O-N 2.91Å; Q701-I703 VanDerWaalsContact C-N 3.28Å; Q701-I703 PolarHBondContact O-N 2.94Å; Q701-Q704 WeakPolarHBondContact O-CB 3.47Å; Q701-Q704 PolarHBondContact O-N 3.17Å; Q701-Q704 VanDerWaalsContact O-N 3.15Å; Q701-E705 PolarHBondContact O-N 3.24Å; Q701-L741 HydrophobicContact CG-CD1 3.78Å; Q701-L741 HydrophobicContact CG-CD2 3.85Å; Q701-L741 HydrophobicContact CG-CG 4.49Å
702	W	97.6	Very high	95.1	Very high	9 Å²	9	21.7 Å²	21.7	3%	0.034	13%	0.126	C	C	.	.	H	α-helix	trans	-60	-38.6	175.7	-174.3	100.7	0	0	0	111.6	T535 S537 V558 L622 I624 M698 A699 E705 N706 F710	T535-W702 HydrophobicContact CG2-CH2 4.11Å; T535-W702 HydrophobicContact CG2-CZ2 3.81Å; S537-W702 PolarHBondContact OG-NE1 3.38Å; V558-W702 HydrophobicContact CG1-CH2 3.55Å; V558-W702 HydrophobicContact CG1-CZ2 3.5Å; V558-W702 HydrophobicContact CG1-CZ3 4.46Å; L622-W702 HydrophobicContact CD1-CE3 4.49Å; L622-W702 HydrophobicContact CD1-CH2 4.45Å; L622-W702 HydrophobicContact CD1-CZ3 4.01Å; L622-W702 HydrophobicContact CD2-CD2 4.45Å; L622-W702 HydrophobicContact CD2-CE3 3.82Å; L622-W702 HydrophobicContact CD2-CZ3 4.17Å; I624-W702 HydrophobicContact CD1-CH2 4.01Å; I624-W702 HydrophobicContact CD1-CZ3 3.93Å; M698-W702 WeakPolarHBondContact O-CB 3.43Å; M698-W702 PolarHBondContact O-N 2.85Å; A699-W702 PolarHBondContact O-N 3.03Å; W702-E705 PolarHBondContact O-N 2.85Å; W702-N706 HydrophobicContact CD2-CB 4.19Å; W702-N706 HydrophobicContact CE3-CB 4.08Å; W702-N706 HydrophobicContact CH2-CB 3.86Å; W702-N706 HydrophobicContact CZ2-CB 3.99Å; W702-N706 HydrophobicContact CZ3-CB 3.91Å; W702-N706 PolarHBondContact NE1-ND2 2.85Å; W702-N706 VanDerWaalsContact O-CB 3.29Å; W702-N706 WeakPolarHBondContact O-CB 3.2Å; W702-N706 PolarHBondContact O-N 2.78Å; W702-N706 PolarHBondContact O-ND2 3.42Å; W702-F710 AromaticContact CH2-CE2 3.7Å; W702-F710 HydrophobicContact CH2-CE2 3.7Å; W702-F710 HydrophobicContact CH2-CZ 4.01Å; W702-F710 HydrophobicContact CZ3-CE2 4.31Å
703	I	98.3	Very high	94.6	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.5	-45.2	175	-70.5	162.6	0	0	0	110.7	L622 V635 V637 V668 I670 A699 L700 Q701 E705 N706 I707 V717	L622-I703 HydrophobicContact CD2-CG1 4.36Å; V635-I703 HydrophobicContact CG1-CG2 4.39Å; V637-I703 HydrophobicContact CG1-CD1 3.78Å; V637-I703 HydrophobicContact CG2-CD1 3.86Å; V637-I703 HydrophobicContact CG2-CG2 4.41Å; V668-I703 HydrophobicContact CB-CD1 4.36Å; V668-I703 HydrophobicContact CG1-CD1 3.8Å; V668-I703 HydrophobicContact CG1-CG1 4.33Å; I670-I703 HydrophobicContact CG2-CD1 4.14Å; A699-I703 WeakPolarHBondContact O-CB 3.38Å; A699-I703 WeakPolarHBondContact O-CD1 3.4Å; A699-I703 WeakPolarHBondContact O-CG1 3.36Å; A699-I703 PolarHBondContact O-N 2.9Å; L700-I703 PolarHBondContact O-N 2.85Å; Q701-I703 VanDerWaalsContact C-N 3.28Å; Q701-I703 PolarHBondContact O-N 2.94Å; I703-E705 VanDerWaalsContact C-N 3.31Å; I703-E705 PolarHBondContact O-N 3.19Å; I703-N706 PolarHBondContact O-N 2.99Å; I703-I707 HydrophobicContact CG2-CB 4.01Å; I703-I707 HydrophobicContact CG2-CG1 4.31Å; I703-I707 HydrophobicContact CG2-CG2 4.25Å; I703-I707 WeakPolarHBondContact O-CB 2.95Å; I703-I707 VanDerWaalsContact O-CG2 3.23Å; I703-I707 WeakPolarHBondContact O-CG2 3.33Å; I703-I707 PolarHBondContact O-N 3.33Å; I703-V717 HydrophobicContact CG2-CG2 4.09Å
704	Q	94.9	Very high	94	Very high	56 Å²	56	23.7 Å²	23.7	26%	0.262	14%	0.139	S	C	.	.	H	α-helix	trans	-58.8	-39.7	174.8	-76.4	-65.2	-38.2	0	0	113	L700 Q701 P714 L741	L700-Q704 WeakPolarHBondContact O-CG 3.22Å; L700-Q704 PolarHBondContact O-N 3.19Å; Q701-Q704 WeakPolarHBondContact O-CB 3.47Å; Q701-Q704 PolarHBondContact O-N 3.17Å; Q701-Q704 VanDerWaalsContact O-N 3.15Å; Q704-P714 PolarHBondContact NE2-O 2.75Å; Q704-P714 PolarHBondContact OE1-O 3.17Å; Q704-L741 HydrophobicContact CG-CB 4.2Å; Q704-L741 HydrophobicContact CG-CD2 3.98Å; Q704-L741 PolarHBondContact NE2-O 2.95Å
705	E	92.2	Very high	93.4	Very high	130 Å²	130	25.1 Å²	25.1	61%	0.607	15%	0.15	S	C	*	.	H	α-helix	trans	-71.8	-36.8	178.3	-70.7	-177.4	171.2	0	0	113.4	T536 Q701 W702 I703	T536-E705 HydrophobicContact CG2-CB 4.46Å; T536-E705 WeakPolarHBondContact CG2-OE2 3.25Å; T536-E705 PolarHBondContact OG1-OE2 3.45Å; Q701-E705 PolarHBondContact O-N 3.24Å; W702-E705 PolarHBondContact O-N 2.85Å; I703-E705 VanDerWaalsContact C-N 3.31Å; I703-E705 PolarHBondContact O-N 3.19Å
706	N	94.4	Very high	93	Very high	9 Å²	9	26.2 Å²	26.2	5%	0.048	16%	0.155	C	C	.	.	H	α-helix	trans	-115.2	-23.2	-162.7	-65.3	-76.2	0	0	0	115.7	T535 T536 W702 I703 A708 G709 F710	T535-N706 WeakPolarHBondContact CA-OD1 3.38Å; T535-N706 WeakPolarHBondContact CB-OD1 3.43Å; T535-N706 HydrophobicContact CG2-CB 4.4Å; T536-N706 PolarHBondContact N-OD1 2.84Å; T536-N706 PolarHBondContact OG1-ND2 2.87Å; W702-N706 HydrophobicContact CD2-CB 4.19Å; W702-N706 HydrophobicContact CE3-CB 4.08Å; W702-N706 HydrophobicContact CH2-CB 3.86Å; W702-N706 HydrophobicContact CZ2-CB 3.99Å; W702-N706 HydrophobicContact CZ3-CB 3.91Å; W702-N706 PolarHBondContact NE1-ND2 2.85Å; W702-N706 VanDerWaalsContact O-CB 3.29Å; W702-N706 WeakPolarHBondContact O-CB 3.2Å; W702-N706 PolarHBondContact O-N 2.78Å; W702-N706 PolarHBondContact O-ND2 3.42Å; I703-N706 PolarHBondContact O-N 2.99Å; N706-A708 PolarHBondContact O-N 3.19Å; N706-G709 PolarHBondContact O-N 3.01Å; N706-F710 HydrophobicContact CB-CE2 4.38Å; N706-F710 WeakPolarHBondContact O-CD2 3.3Å
707	I	95.4	Very high	92.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-64.4	-22.3	-166.7	-154.4	65.9	0	0	0	114	I624 V635 V666 V668 I703 G709 F710 G711 G712 P714	I624-I707 HydrophobicContact CD1-CD1 4.37Å; I624-I707 HydrophobicContact CG2-CD1 4.32Å; V635-I707 HydrophobicContact CG1-CD1 4.4Å; V635-I707 HydrophobicContact CG1-CG1 3.94Å; V635-I707 HydrophobicContact CG2-CG1 3.76Å; V635-I707 HydrophobicContact CG2-CG2 4.08Å; V666-I707 HydrophobicContact CG1-CD1 3.85Å; V666-I707 HydrophobicContact CG1-CG1 4.23Å; V668-I707 HydrophobicContact CG2-CD1 3.78Å; I703-I707 HydrophobicContact CG2-CB 4.01Å; I703-I707 HydrophobicContact CG2-CG1 4.31Å; I703-I707 HydrophobicContact CG2-CG2 4.25Å; I703-I707 WeakPolarHBondContact O-CB 2.95Å; I703-I707 VanDerWaalsContact O-CG2 3.23Å; I703-I707 WeakPolarHBondContact O-CG2 3.33Å; I703-I707 PolarHBondContact O-N 3.33Å; I707-G709 VanDerWaalsContact C-N 3.27Å; I707-G709 PolarHBondContact O-N 3.3Å; I707-F710 HydrophobicContact CD1-CB 4.35Å; I707-F710 HydrophobicContact CD1-CD2 4.38Å; I707-F710 CarbonylContact O-C 3.55Å; I707-F710 PolarHBondContact O-N 2.79Å; I707-G711 PolarHBondContact O-N 2.97Å; I707-G712 PolarHBondContact O-N 3.01Å; I707-P714 HydrophobicContact CG2-CB 4.04Å
708	A	89.4	Confident	92.8	Very high	66 Å²	66	25.4 Å²	25.4	55%	0.545	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-58.9	-35.4	171.2	0	0	0	0	0	113.1	N706 F710 G711 G712	N706-A708 PolarHBondContact O-N 3.19Å; A708-F710 PolarHBondContact O-N 3.06Å; A708-G711 PolarHBondContact O-N 2.05Å; A708-G711 VanDerWaalsContact O-N 3.13Å; A708-G712 WeakPolarHBondContact CA-O 3.31Å
709	G	87.2	Confident	92.8	Very high	40 Å²	40	24.5 Å²	24.5	41%	0.412	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-67.2	-19.9	174.9	0	0	0	0	0	113.8	V533 N706 I707	V533-G709 WeakPolarHBondContact CG1-O 3.28Å; V533-G709 WeakPolarHBondContact CG2-O 3.41Å; N706-G709 PolarHBondContact O-N 3.01Å; I707-G709 VanDerWaalsContact C-N 3.27Å; I707-G709 PolarHBondContact O-N 3.3Å
710	F	94.4	Very high	92.8	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.009	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-99.4	10.4	175.5	-57.4	-89.6	0	0	0	112.6	V533 T535 F555 I624 T626 W702 N706 I707 A708	V533-F710 HydrophobicContact CB-CD1 4.22Å; V533-F710 HydrophobicContact CB-CE1 3.81Å; V533-F710 HydrophobicContact CB-CZ 4.07Å; V533-F710 HydrophobicContact CG1-CD1 4.11Å; V533-F710 HydrophobicContact CG1-CD2 4.09Å; V533-F710 HydrophobicContact CG1-CE1 3.83Å; V533-F710 HydrophobicContact CG1-CE2 3.82Å; V533-F710 HydrophobicContact CG1-CG 4.24Å; V533-F710 HydrophobicContact CG1-CZ 3.69Å; V533-F710 HydrophobicContact CG2-CD1 3.95Å; V533-F710 HydrophobicContact CG2-CE1 4.01Å; T535-F710 HydrophobicContact CG2-CE2 3.68Å; T535-F710 HydrophobicContact CG2-CZ 3.62Å; F555-F710 HydrophobicContact CB-CE1 4.09Å; F555-F710 HydrophobicContact CD1-CD1 4.36Å; F555-F710 AromaticContact CD1-CE1 3.73Å; F555-F710 HydrophobicContact CD1-CE1 3.73Å; F555-F710 AromaticContact CD2-CD1 3.66Å; F555-F710 HydrophobicContact CD2-CD1 3.66Å; F555-F710 AromaticContact CD2-CE1 3.79Å; F555-F710 HydrophobicContact CD2-CE1 3.79Å; F555-F710 HydrophobicContact CE1-CD1 4.41Å; F555-F710 HydrophobicContact CE1-CE1 4.01Å; F555-F710 AromaticContact CE2-CD1 3.73Å; F555-F710 HydrophobicContact CE2-CD1 3.73Å; F555-F710 HydrophobicContact CE2-CE1 4.09Å; F555-F710 AromaticContact CG-CD1 4Å; F555-F710 HydrophobicContact CG-CD1 4Å; F555-F710 AromaticContact CG-CE1 3.61Å; F555-F710 HydrophobicContact CG-CE1 3.61Å; F555-F710 HydrophobicContact CZ-CD1 4.11Å; F555-F710 HydrophobicContact CZ-CE1 4.19Å; I624-F710 HydrophobicContact CD1-CD1 3.97Å; I624-F710 HydrophobicContact CD1-CD2 3.94Å; I624-F710 HydrophobicContact CD1-CE1 3.81Å; I624-F710 HydrophobicContact CD1-CE2 3.77Å; I624-F710 HydrophobicContact CD1-CG 4.03Å; I624-F710 HydrophobicContact CD1-CZ 3.7Å; I624-F710 HydrophobicContact CG2-CB 4.43Å; I624-F710 HydrophobicContact CG2-CD1 4.39Å; I624-F710 HydrophobicContact CG2-CG 4.44Å; T626-F710 WeakPolarHBondContact CB-O 3.47Å; T626-F710 HydrophobicContact CG2-CB 4.5Å; T626-F710 PolarHBondContact OG1-O 3.43Å; W702-F710 AromaticContact CH2-CE2 3.7Å; W702-F710 HydrophobicContact CH2-CE2 3.7Å; W702-F710 HydrophobicContact CH2-CZ 4.01Å; W702-F710 HydrophobicContact CZ3-CE2 4.31Å; N706-F710 HydrophobicContact CB-CE2 4.38Å; N706-F710 WeakPolarHBondContact O-CD2 3.3Å; I707-F710 HydrophobicContact CD1-CB 4.35Å; I707-F710 HydrophobicContact CD1-CD2 4.38Å; I707-F710 CarbonylContact O-C 3.55Å; I707-F710 PolarHBondContact O-N 2.79Å; A708-F710 PolarHBondContact O-N 3.06Å
711	G	84.4	Confident	92.8	Very high	9 Å²	9	24.5 Å²	24.5	9%	0.093	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	2.6	179.2	0	0	0	0	0	115.6	A630 H631 N632 A633 I707 A708	A630-G711 WeakPolarHBondContact O-CA 3.35Å; H631-G711 CarbonylContact C-O 3.47Å; H631-G711 PolarHBondContact N-O 3.46Å; N632-G711 PolarHBondContact N-O 3.42Å; A633-G711 PolarHBondContact N-O 3.16Å; I707-G711 PolarHBondContact O-N 2.97Å; A708-G711 PolarHBondContact O-N 2.05Å; A708-G711 VanDerWaalsContact O-N 3.13Å
712	G	87.1	Confident	92.8	Very high	2 Å²	2	21 Å²	21	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	152.4	177.3	0	0	0	0	0	113.5	A633 I707 A708 P714	A633-G712 CarbonylContact O-C 3.5Å; A633-G712 WeakPolarHBondContact O-CA 3.49Å; I707-G712 PolarHBondContact O-N 3.01Å; A708-G712 WeakPolarHBondContact CA-O 3.31Å; G712-P714 WeakPolarHBondContact O-CD 3.37Å
713	D	86.9	Confident	92.8	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.032	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	112.3	170.5	179.6	-6.9	0	0	0	109.9	N632 A633 S715 Q716	N632-D713 HydrophobicContact CB-CB 4.04Å; A633-D713 PolarHBondContact O-N 2.63Å; D713-S715 VanDerWaalsContact CG-OG 3.23Å; D713-S715 PolarHBondContact O-N 3.32Å; D713-S715 WeakPolarHBondContact OD1-CA 3.37Å; D713-S715 WeakPolarHBondContact OD1-CB 3.39Å; D713-S715 PolarHBondContact OD1-N 2.92Å; D713-S715 PolarHBondContact OD1-OG 3.17Å; D713-S715 PolarHBondContact OD2-OG 2.68Å; D713-S715 VanDerWaalsContact OD2-OG 3.14Å; D713-Q716 HydrophobicContact CB-CB 3.97Å; D713-Q716 HydrophobicContact CB-CG 4.1Å; D713-Q716 PolarHBondContact O-N 3.04Å; D713-Q716 WeakPolarHBondContact OD2-CG 3.49Å
714	P	86.8	Confident	92.8	Very high	35 Å²	35	20.8 Å²	20.8	23%	0.227	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	-22.2	178.6	23.5	-32.3	0	0	0	113.2	Q704 I707 G712 Q716 V717	Q704-P714 PolarHBondContact NE2-O 2.75Å; Q704-P714 PolarHBondContact OE1-O 3.17Å; I707-P714 HydrophobicContact CG2-CB 4.04Å; G712-P714 WeakPolarHBondContact O-CD 3.37Å; P714-Q716 PolarHBondContact O-N 2.78Å; P714-V717 WeakPolarHBondContact O-CG2 3.36Å
715	S	85.4	Confident	93	Very high	48 Å²	48	18.1 Å²	18.1	34%	0.336	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-4.9	173.6	76.5	0	0	0	0	114.2	D713	D713-S715 VanDerWaalsContact CG-OG 3.23Å; D713-S715 PolarHBondContact O-N 3.32Å; D713-S715 WeakPolarHBondContact OD1-CA 3.37Å; D713-S715 WeakPolarHBondContact OD1-CB 3.39Å; D713-S715 PolarHBondContact OD1-N 2.92Å; D713-S715 PolarHBondContact OD1-OG 3.17Å; D713-S715 PolarHBondContact OD2-OG 2.68Å; D713-S715 VanDerWaalsContact OD2-OG 3.14Å
716	Q	88.9	Confident	93.2	Very high	22 Å²	22	11.9 Å²	11.9	10%	0.103	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	25.7	-177.7	-69.9	-85.2	93	0	0	112.8	P634 V635 D713 P714 H1086	P634-Q716 HydrophobicContact CB-CB 4.46Å; V635-Q716 PolarHBondContact N-O 2.84Å; V635-Q716 VanDerWaalsContact N-O 3.12Å; D713-Q716 HydrophobicContact CB-CB 3.97Å; D713-Q716 HydrophobicContact CB-CG 4.1Å; D713-Q716 PolarHBondContact O-N 3.04Å; D713-Q716 WeakPolarHBondContact OD2-CG 3.49Å; P714-Q716 PolarHBondContact O-N 2.78Å; Q716-H1086 VanDerWaalsContact CD-CD2 3.46Å; Q716-H1086 PolarHBondContact OE1-CD2 2.75Å; Q716-H1086 VanDerWaalsContact OE1-CD2 3.23Å
717	V	95.6	Very high	93.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	128.6	172.1	172.6	0	0	0	0	110.7	V635 V637 I703 P714 F742 K743 Y744	V635-V717 HydrophobicContact CB-CG2 3.94Å; V635-V717 HydrophobicContact CG1-CG2 4.24Å; V635-V717 HydrophobicContact CG2-CG2 4.32Å; V635-V717 CarbonylContact O-C 3.14Å; V635-V717 WeakPolarHBondContact O-CA 3.26Å; V637-V717 HydrophobicContact CG2-CG1 3.84Å; I703-V717 HydrophobicContact CG2-CG2 4.09Å; P714-V717 WeakPolarHBondContact O-CG2 3.36Å; V717-F742 HydrophobicContact CB-CB 4.49Å; V717-F742 HydrophobicContact CG1-CB 3.93Å; V717-K743 WeakPolarHBondContact O-CA 3.27Å; V717-K743 VanDerWaalsContact O-CB 3.3Å; V717-K743 WeakPolarHBondContact O-CB 3.4Å; V717-K743 PolarHBondContact O-N 2.98Å; V717-Y744 PolarHBondContact O-N 3.29Å
718	T	97.8	Very high	93.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.4	168.8	-59.1	0	0	0	0	108.7	V635 L636 V637 Y744 I746 F994 I995	V635-T718 PolarHBondContact O-N 2.85Å; L636-T718 HydrophobicContact CD1-CG2 4.4Å; V637-T718 PolarHBondContact N-O 3.06Å; T718-Y744 WeakPolarHBondContact CA-O 3.14Å; T718-I746 HydrophobicContact CG2-CD1 4.02Å; T718-I746 HydrophobicContact CG2-CG1 3.89Å; T718-F994 HydrophobicContact CG2-CE1 4.35Å; T718-I995 HydrophobicContact CG2-CG2 3.79Å
719	I	98.4	Very high	93.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	140.4	172.7	57.9	174.2	0	0	0	110	V637 L700 V729 H732 F742 Y744 A745 I746	V637-I719 HydrophobicContact CB-CG2 4.37Å; L700-I719 HydrophobicContact CD1-CG2 4.17Å; L700-I719 HydrophobicContact CD2-CG2 3.56Å; I719-V729 HydrophobicContact CB-CG2 4.27Å; I719-V729 HydrophobicContact CD1-CB 4.32Å; I719-V729 HydrophobicContact CD1-CG1 3.84Å; I719-V729 HydrophobicContact CD1-CG2 4.2Å; I719-V729 HydrophobicContact CG1-CG1 3.92Å; I719-V729 HydrophobicContact CG1-CG2 4.18Å; I719-H732 HydrophobicContact CD1-CB 3.76Å; I719-F742 HydrophobicContact CD1-CD1 3.92Å; I719-F742 HydrophobicContact CD1-CD2 3.71Å; I719-F742 HydrophobicContact CD1-CE1 3.83Å; I719-F742 HydrophobicContact CD1-CE2 3.57Å; I719-F742 HydrophobicContact CD1-CG 3.87Å; I719-F742 HydrophobicContact CD1-CZ 3.63Å; I719-F742 HydrophobicContact CG1-CB 4.44Å; I719-F742 HydrophobicContact CG1-CD2 3.66Å; I719-F742 HydrophobicContact CG1-CE2 3.91Å; I719-F742 HydrophobicContact CG1-CG 3.98Å; I719-F742 HydrophobicContact CG1-CZ 4.46Å; I719-F742 HydrophobicContact CG2-CB 3.87Å; I719-F742 HydrophobicContact CG2-CG 4.15Å; I719-Y744 PolarHBondContact N-O 3.26Å; I719-Y744 VanDerWaalsContact N-O 3.08Å; I719-A745 HydrophobicContact CG1-CB 4.23Å; I719-A745 CarbonylContact O-C 3.58Å; I719-A745 WeakPolarHBondContact O-CA 3.45Å; I719-I746 PolarHBondContact O-N 2.84Å
720	M	98.1	Very high	94.2	Very high	0 Å²	0	7 Å²	7	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	138.4	-177.1	178.8	174.4	89.7	0	0	109.3	L636 V637 W638 I639 I746 I965 F966 W991	L636-M720 HydrophobicContact CD1-CB 3.64Å; L636-M720 HydrophobicContact CD1-CE 4.38Å; L636-M720 HydrophobicContact CD1-CG 4.39Å; L636-M720 HydrophobicContact CD1-SD 3.89Å; L636-M720 HydrophobicContact CD2-CE 4.02Å; L636-M720 HydrophobicContact CD2-SD 4.2Å; L636-M720 HydrophobicContact CG-CE 4.41Å; L636-M720 HydrophobicContact CG-SD 4.49Å; V637-M720 PolarHBondContact O-N 3.17Å; W638-M720 CarbonylContact C-O 3.58Å; W638-M720 WeakPolarHBondContact CA-O 3.48Å; W638-M720 HydrophobicContact CD2-CE 4.21Å; W638-M720 HydrophobicContact CE3-CB 4.27Å; W638-M720 HydrophobicContact CE3-CE 3.34Å; W638-M720 HydrophobicContact CE3-CG 3.75Å; W638-M720 HydrophobicContact CE3-SD 4.35Å; W638-M720 HydrophobicContact CZ3-CE 3.69Å; W638-M720 HydrophobicContact CZ3-CG 3.83Å; W638-M720 HydrophobicContact CZ3-SD 4.43Å; I639-M720 PolarHBondContact N-O 3.22Å; M720-I746 WeakPolarHBondContact CA-O 3.48Å; M720-I746 HydrophobicContact CB-CB 3.89Å; M720-I746 HydrophobicContact CB-CD1 4.27Å; M720-I746 HydrophobicContact CB-CG1 4.41Å; M720-I746 HydrophobicContact CG-CB 3.75Å; M720-I746 HydrophobicContact CG-CD1 4.21Å; M720-I746 HydrophobicContact CG-CG1 4.5Å; M720-I746 HydrophobicContact CG-CG2 3.86Å; M720-I746 HydrophobicContact SD-CD1 3.96Å; M720-I746 HydrophobicContact SD-CG2 4.34Å; M720-I965 HydrophobicContact CE-CG2 3.99Å; M720-I965 HydrophobicContact SD-CG2 4.27Å; M720-F966 HydrophobicContact CE-CE2 3.7Å; M720-F966 HydrophobicContact CE-CZ 3.74Å; M720-W991 PolarHBondContact SD-NE1 3.01Å
721	G	98.2	Very high	94.2	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	157.2	173.8	0	0	0	0	0	113	I639 G726 I746 Q748	I639-G721 WeakPolarHBondContact O-CA 3.23Å; G721-G726 VanDerWaalsContact C-N 3.29Å; G721-G726 WeakPolarHBondContact O-CA 3.42Å; G721-I746 PolarHBondContact N-O 3.1Å; G721-I746 VanDerWaalsContact N-O 3.17Å; G721-Q748 PolarHBondContact O-N 2.92Å
722	E	98.2	Very high	94.7	Very high	7 Å²	7	6.4 Å²	6.4	3%	0.033	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	150.1	179.8	-178.1	-82.3	163.4	0	0	110.7	W638 G641 S724 G725 G726 Q748 H958 G959 E961 I962	W638-E722 HydrophobicContact CH2-CB 3.51Å; W638-E722 HydrophobicContact CZ2-CB 4.32Å; W638-E722 HydrophobicContact CZ3-CB 4.2Å; G641-E722 WeakPolarHBondContact CA-O 3.26Å; G641-E722 PolarHBondContact N-O 3.44Å; E722-S724 PolarHBondContact O-N 3.33Å; E722-G725 WeakPolarHBondContact O-CA 3.46Å; E722-G725 PolarHBondContact O-N 2.74Å; E722-G726 PolarHBondContact O-N 2.94Å; E722-Q748 CarbonylContact C-O 3.5Å; E722-Q748 VanDerWaalsContact CA-O 3.25Å; E722-Q748 WeakPolarHBondContact CA-O 3.37Å; E722-Q748 HydrophobicContact CB-CB 3.82Å; E722-Q748 HydrophobicContact CG-CB 3.95Å; E722-H958 IonicContact OE1-CD2 2.9Å; E722-H958 IonicContact OE1-CE1 3.06Å; E722-H958 IonicContact OE1-CG 2.94Å; E722-H958 IonicContact OE1-ND1 2.61Å; E722-H958 IonicContact OE1-NE2 3.2Å; E722-H958 PolarHBondContact OE1-NE2 2.79Å; E722-G959 WeakPolarHBondContact OE1-CA 3.36Å; E722-G959 PolarHBondContact OE1-N 3.29Å; E722-E961 WeakPolarHBondContact CG-OE1 3.02Å; E722-I962 HydrophobicContact CB-CD1 4.02Å; E722-I962 HydrophobicContact CB-CG1 4.38Å; E722-I962 HydrophobicContact CG-CD1 3.8Å; E722-I962 HydrophobicContact CG-CG1 4.14Å
723	S	97.9	Very high	94.9	Very high	4 Å²	4	6.4 Å²	6.4	3%	0.028	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	-122.9	179.7	-169.6	0	0	0	0	111.3	G725 G726 A727 Q748 G750 H958	S723-G725 PolarHBondContact O-N 3.28Å; S723-G726 WeakPolarHBondContact O-CA 3.35Å; S723-G726 PolarHBondContact O-N 3.47Å; S723-A727 PolarHBondContact O-N 3.43Å; S723-Q748 PolarHBondContact N-O 2.89Å; S723-G750 WeakPolarHBondContact O-CA 3.49Å; S723-H958 WeakPolarHBondContact CB-NE2 3.24Å; S723-H958 PolarHBondContact OG-NE2 2.74Å
724	S	97.6	Very high	95.1	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-59.8	-27.9	173.9	53.5	0	0	0	0	113.9	G642 G643 F644 E722 A727 S728	G642-S724 PolarHBondContact N-OG 3.16Å; G643-S724 PolarHBondContact N-OG 2.9Å; G643-S724 VanDerWaalsContact N-OG 3.14Å; F644-S724 WeakPolarHBondContact CE1-O 3.43Å; F644-S724 WeakPolarHBondContact CZ-O 3.47Å; F644-S724 VanDerWaalsContact N-CB 3.26Å; F644-S724 PolarHBondContact N-OG 3.14Å; F644-S724 VanDerWaalsContact N-OG 3.14Å; E722-S724 PolarHBondContact O-N 3.33Å; S724-A727 PolarHBondContact O-N 3.07Å; S724-S728 WeakPolarHBondContact O-CB 3.47Å; S724-S728 PolarHBondContact O-N 3.27Å
725	G	97.9	Very high	95.2	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-66.4	-37.9	169.6	0	0	0	0	0	112.7	I639 F640 E722 S723 S728 V729	I639-G725 WeakPolarHBondContact O-CA 3.44Å; F640-G725 WeakPolarHBondContact O-CA 3.16Å; F640-G725 PolarHBondContact O-N 3.29Å; E722-G725 WeakPolarHBondContact O-CA 3.46Å; E722-G725 PolarHBondContact O-N 2.74Å; S723-G725 PolarHBondContact O-N 3.28Å; G725-S728 VanDerWaalsContact O-CB 3.31Å; G725-S728 WeakPolarHBondContact O-CB 3.35Å; G725-S728 PolarHBondContact O-N 2.91Å; G725-V729 WeakPolarHBondContact O-CG2 3.37Å; G725-V729 PolarHBondContact O-N 3.13Å
726	G	97.6	Very high	95.3	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-65.7	-42.4	172.7	0	0	0	0	0	112	G721 E722 S723 S728 V729 M730	G721-G726 VanDerWaalsContact C-N 3.29Å; G721-G726 WeakPolarHBondContact O-CA 3.42Å; E722-G726 PolarHBondContact O-N 2.94Å; S723-G726 WeakPolarHBondContact O-CA 3.35Å; S723-G726 PolarHBondContact O-N 3.47Å; G726-S728 PolarHBondContact O-N 3.25Å; G726-V729 PolarHBondContact O-N 2.93Å; G726-M730 PolarHBondContact O-N 3.49Å
727	A	96.9	Very high	95.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-61.1	-42	170.5	0	0	0	0	0	111.9	F644 S723 S724 V729 M730 A731 M752 W756 A757	F644-A727 HydrophobicContact CE2-CB 4.31Å; F644-A727 HydrophobicContact CZ-CB 3.95Å; S723-A727 PolarHBondContact O-N 3.43Å; S724-A727 PolarHBondContact O-N 3.07Å; A727-V729 PolarHBondContact O-N 3.31Å; A727-M730 CarbonylContact O-C 3.32Å; A727-M730 WeakPolarHBondContact O-CB 3.2Å; A727-M730 PolarHBondContact O-N 3.47Å; A727-M730 VanDerWaalsContact O-N 3.16Å; A727-A731 PolarHBondContact O-N 2.89Å; A727-M752 HydrophobicContact CB-CG 4.49Å; A727-M752 HydrophobicContact CB-SD 3.93Å; A727-M752 VanDerWaalsContact O-CG 3.29Å; A727-M752 WeakPolarHBondContact O-CG 3.28Å; A727-W756 HydrophobicContact CB-CH2 4.32Å; A727-A757 HydrophobicContact CB-CB 4.08Å
728	S	98	Very high	95.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-58.4	-41	171	-95.3	0	0	0	0	113.5	L693 Q696 S724 G725 G726 A731 H732	L693-S728 WeakPolarHBondContact CD2-OG 3.14Å; Q696-S728 VanDerWaalsContact CD-OG 3.23Å; Q696-S728 PolarHBondContact NE2-OG 3.33Å; Q696-S728 PolarHBondContact OE1-OG 3.3Å; S724-S728 WeakPolarHBondContact O-CB 3.47Å; S724-S728 PolarHBondContact O-N 3.27Å; G725-S728 VanDerWaalsContact O-CB 3.31Å; G725-S728 WeakPolarHBondContact O-CB 3.35Å; G725-S728 PolarHBondContact O-N 2.91Å; G726-S728 PolarHBondContact O-N 3.25Å; S728-A731 WeakPolarHBondContact O-CB 3.25Å; S728-A731 PolarHBondContact O-N 3.47Å; S728-H732 PolarHBondContact O-CD2 3.17Å; S728-H732 VanDerWaalsContact O-CD2 3.22Å; S728-H732 PolarHBondContact O-N 3.21Å
729	V	97.7	Very high	95.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-62.7	-41.8	174	169.7	0	0	0	0	111	I639 I719 G725 G726 A727 A731 H732 L733 A745 V747	I639-V729 HydrophobicContact CD1-CG2 4.25Å; I719-V729 HydrophobicContact CB-CG2 4.27Å; I719-V729 HydrophobicContact CD1-CB 4.32Å; I719-V729 HydrophobicContact CD1-CG1 3.84Å; I719-V729 HydrophobicContact CD1-CG2 4.2Å; I719-V729 HydrophobicContact CG1-CG1 3.92Å; I719-V729 HydrophobicContact CG1-CG2 4.18Å; G725-V729 WeakPolarHBondContact O-CG2 3.37Å; G725-V729 PolarHBondContact O-N 3.13Å; G726-V729 PolarHBondContact O-N 2.93Å; A727-V729 PolarHBondContact O-N 3.31Å; V729-A731 VanDerWaalsContact C-N 3.35Å; V729-H732 PolarHBondContact O-N 3.27Å; V729-L733 PolarHBondContact O-N 3.32Å; V729-A745 HydrophobicContact CG1-CB 3.66Å; V729-V747 HydrophobicContact CB-CG2 4.07Å; V729-V747 HydrophobicContact CG1-CG2 3.5Å; V729-V747 VanDerWaalsContact CG1-CG2 3.5Å
730	M	93.8	Very high	94.8	Very high	11 Å²	11	16.4 Å²	16.4	5%	0.054	9%	0.09	C	C	.	.	H	α-helix	trans	-63	-39.5	171.9	-177.5	-178	178.2	0	0	112.1	G726 A727 H732 L733 H734 S751 M752 F831 L925	G726-M730 PolarHBondContact O-N 3.49Å; A727-M730 CarbonylContact O-C 3.32Å; A727-M730 WeakPolarHBondContact O-CB 3.2Å; A727-M730 PolarHBondContact O-N 3.47Å; A727-M730 VanDerWaalsContact O-N 3.16Å; M730-H732 VanDerWaalsContact C-N 3.3Å; M730-H732 PolarHBondContact O-N 3.12Å; M730-L733 WeakPolarHBondContact O-CB 3.5Å; M730-L733 PolarHBondContact O-N 3.34Å; M730-H734 VanDerWaalsContact CE-NE2 3.26Å; M730-H734 WeakPolarHBondContact CE-NE2 3.31Å; M730-H734 PolarHBondContact O-CD2 3.45Å; M730-H734 PolarHBondContact O-N 2.87Å; M730-S751 PolarHBondContact SD-OG 3.07Å; M730-M752 HydrophobicContact CB-CG 4.16Å; M730-M752 HydrophobicContact CE-CB 4.35Å; M730-M752 HydrophobicContact CG-CB 4.25Å; M730-M752 HydrophobicContact CG-CG 4.21Å; M730-M752 HydrophobicContact SD-CB 3.72Å; M730-M752 HydrophobicContact SD-CG 4.29Å; M730-M752 PolarHBondContact SD-N 3.01Å; M730-F831 HydrophobicContact CE-CE2 3.69Å; M730-F831 HydrophobicContact CE-CZ 4.17Å; M730-L925 HydrophobicContact CE-CD1 3.75Å; M730-L925 HydrophobicContact CG-CD1 4.29Å; M730-L925 HydrophobicContact CG-CD2 4.47Å; M730-L925 HydrophobicContact SD-CD1 3.79Å; M730-L925 HydrophobicContact SD-CD2 3.97Å; M730-L925 HydrophobicContact SD-CG 4.44Å
731	A	94.3	Very high	94.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.3	-42	175.2	0	0	0	0	0	111.4	L693 A727 S728 V729 L733 H734 A735 M752 F822 F823	L693-A731 HydrophobicContact CD1-CB 4.1Å; A727-A731 PolarHBondContact O-N 2.89Å; S728-A731 WeakPolarHBondContact O-CB 3.25Å; S728-A731 PolarHBondContact O-N 3.47Å; V729-A731 VanDerWaalsContact C-N 3.35Å; A731-L733 VanDerWaalsContact C-N 3.35Å; A731-L733 PolarHBondContact O-N 3.49Å; A731-H734 PolarHBondContact O-N 3.35Å; A731-A735 VanDerWaalsContact O-CB 3.3Å; A731-A735 WeakPolarHBondContact O-CB 3.32Å; A731-A735 PolarHBondContact O-N 2.97Å; A731-M752 HydrophobicContact CB-CG 4.13Å; A731-M752 HydrophobicContact CB-SD 4.15Å; A731-F822 HydrophobicContact CB-CE1 3.9Å; A731-F822 HydrophobicContact CB-CZ 4.43Å; A731-F823 HydrophobicContact CB-CE1 3.99Å; A731-F823 HydrophobicContact CB-CZ 3.87Å
732	H	95.6	Very high	94.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-68.7	-25.2	173.1	-74.3	-64.3	0	0	0	114.3	Q696 I719 S728 V729 M730 S738 F742 F822	Q696-H732 WeakPolarHBondContact CB-NE2 3.38Å; I719-H732 HydrophobicContact CD1-CB 3.76Å; S728-H732 PolarHBondContact O-CD2 3.17Å; S728-H732 VanDerWaalsContact O-CD2 3.22Å; S728-H732 PolarHBondContact O-N 3.21Å; V729-H732 PolarHBondContact O-N 3.27Å; M730-H732 VanDerWaalsContact C-N 3.3Å; M730-H732 PolarHBondContact O-N 3.12Å; H732-S738 WeakPolarHBondContact ND1-CB 3.35Å; H732-S738 PolarHBondContact ND1-OG 3.25Å; H732-F742 HydrophobicContact CB-CE1 3.96Å; H732-F742 HydrophobicContact CB-CZ 4.24Å; H732-F742 WeakPolarHBondContact O-CE1 3.45Å; H732-F742 WeakPolarHBondContact O-CZ 3.46Å; H732-F822 AromaticContact CE1-CE2 3.82Å; H732-F822 AromaticContact CE1-CZ 3.66Å; H732-F822 AromaticContact ND1-CZ 3.57Å
733	L	92.3	Very high	94.3	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-69.6	-32.7	171.4	-74.7	171.3	0	0	0	112.6	V729 M730 A731 W739 F742 A745 K837 T839 V841	V729-L733 PolarHBondContact O-N 3.32Å; M730-L733 WeakPolarHBondContact O-CB 3.5Å; M730-L733 PolarHBondContact O-N 3.34Å; A731-L733 VanDerWaalsContact C-N 3.35Å; A731-L733 PolarHBondContact O-N 3.49Å; L733-W739 PolarHBondContact O-NE1 3.26Å; L733-F742 HydrophobicContact CD2-CE2 3.86Å; L733-F742 HydrophobicContact CD2-CZ 4Å; L733-F742 HydrophobicContact CG-CZ 4.47Å; L733-A745 HydrophobicContact CD1-CB 4.03Å; L733-A745 HydrophobicContact CD2-CB 3.93Å; L733-A745 HydrophobicContact CG-CB 4.17Å; L733-K837 HydrophobicContact CD2-CB 3.97Å; L733-K837 HydrophobicContact CD2-CD 4.26Å; L733-K837 PolarHBondContact O-N 3.35Å; L733-T839 HydrophobicContact CD2-CG2 3.96Å; L733-V841 HydrophobicContact CD1-CG2 4.31Å
734	H	89.6	Confident	94.1	Very high	10 Å²	10	19.6 Å²	19.6	5%	0.046	10%	0.104	C	C	.	.	H	α-helix	trans	-91.7	-22.3	177.2	-69.7	-72.6	0	0	0	114.5	M730 A731 V736 F823 L835	M730-H734 VanDerWaalsContact CE-NE2 3.26Å; M730-H734 WeakPolarHBondContact CE-NE2 3.31Å; M730-H734 PolarHBondContact O-CD2 3.45Å; M730-H734 PolarHBondContact O-N 2.87Å; A731-H734 PolarHBondContact O-N 3.35Å; H734-V736 PolarHBondContact O-N 3.05Å; H734-F823 HydrophobicContact CB-CD1 4.35Å; H734-F823 HydrophobicContact CB-CE1 4.36Å; H734-L835 PolarHBondContact ND1-O 3.32Å
735	A	90.5	Very high	94.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.			trans	-83.4	104	179.4	0	0	0	0	0	112.3	A731 D737 S738 W739 F822 F823	A731-A735 VanDerWaalsContact O-CB 3.3Å; A731-A735 WeakPolarHBondContact O-CB 3.32Å; A731-A735 PolarHBondContact O-N 2.97Å; A735-D737 VanDerWaalsContact C-N 3.3Å; A735-D737 PolarHBondContact O-N 3.06Å; A735-S738 WeakPolarHBondContact O-CA 3.37Å; A735-S738 VanDerWaalsContact O-CB 3.28Å; A735-S738 WeakPolarHBondContact O-CB 3.4Å; A735-S738 PolarHBondContact O-N 3.41Å; A735-W739 VanDerWaalsContact O-CD1 3.3Å; A735-F822 HydrophobicContact CB-CD1 3.82Å; A735-F822 HydrophobicContact CB-CE1 3.41Å; A735-F822 VanDerWaalsContact CB-CE1 3.41Å; A735-F822 HydrophobicContact CB-CZ 3.96Å; A735-F823 HydrophobicContact CB-CD1 4.08Å
736	V	87.4	Confident	94.1	Very high	56 Å²	56	19.6 Å²	19.6	34%	0.339	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	-50.9	-43.1	-174.3	-177.9	0	0	0	0	113.3	H734 S738 W739 L835	H734-V736 PolarHBondContact O-N 3.05Å; V736-S738 PolarHBondContact O-N 3.16Å; V736-S738 VanDerWaalsContact O-N 3.15Å; V736-W739 HydrophobicContact CB-CD2 4.45Å; V736-W739 HydrophobicContact CG1-CD2 4.33Å; V736-W739 HydrophobicContact CG1-CE3 4.06Å; V736-W739 HydrophobicContact CG1-CZ3 4.27Å; V736-W739 HydrophobicContact CG2-CH2 4.12Å; V736-W739 HydrophobicContact CG2-CZ2 3.99Å; V736-W739 HydrophobicContact CG2-CZ3 4.47Å; V736-W739 VanDerWaalsContact O-CB 3.25Å; V736-W739 WeakPolarHBondContact O-CB 3.38Å; V736-W739 PolarHBondContact O-N 3.21Å; V736-L835 HydrophobicContact CG2-CD2 4.24Å
737	D	88.7	Confident	94.1	Very high	92 Å²	92	19.6 Å²	19.6	49%	0.492	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	-66.1	-17	179.8	-54.6	-33	0	0	0	113.7	R697 A735	R697-D737 IonicContact NH1-OD2 3.27Å; R697-D737 PolarHBondContact NH1-OD2 3.19Å; A735-D737 VanDerWaalsContact C-N 3.3Å; A735-D737 PolarHBondContact O-N 3.06Å
738	S	94.4	Very high	94.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-85.3	-19.9	173.8	-51.2	0	0	0	0	112.2	R697 H732 A735 V736 P740 L741 F742	R697-S738 PolarHBondContact NE-OG 2.79Å; R697-S738 PolarHBondContact NH2-OG 2.94Å; H732-S738 WeakPolarHBondContact ND1-CB 3.35Å; H732-S738 PolarHBondContact ND1-OG 3.25Å; A735-S738 WeakPolarHBondContact O-CA 3.37Å; A735-S738 VanDerWaalsContact O-CB 3.28Å; A735-S738 WeakPolarHBondContact O-CB 3.4Å; A735-S738 PolarHBondContact O-N 3.41Å; V736-S738 PolarHBondContact O-N 3.16Å; V736-S738 VanDerWaalsContact O-N 3.15Å; S738-P740 VanDerWaalsContact C-CD 3.47Å; S738-L741 WeakPolarHBondContact O-CB 3.4Å; S738-L741 PolarHBondContact O-N 2.75Å; S738-F742 VanDerWaalsContact O-CD1 3.23Å; S738-F742 WeakPolarHBondContact O-CD1 3.33Å; S738-F742 WeakPolarHBondContact O-CE1 3.48Å
739	W	93.5	Very high	94.1	Very high	64 Å²	64	19.6 Å²	19.6	24%	0.242	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-58.8	-35.6	-174.4	-64.5	-1.8	0	0	0	115	L733 A735 V736 L741 L835 K837	L733-W739 PolarHBondContact O-NE1 3.26Å; A735-W739 VanDerWaalsContact O-CD1 3.3Å; V736-W739 HydrophobicContact CB-CD2 4.45Å; V736-W739 HydrophobicContact CG1-CD2 4.33Å; V736-W739 HydrophobicContact CG1-CE3 4.06Å; V736-W739 HydrophobicContact CG1-CZ3 4.27Å; V736-W739 HydrophobicContact CG2-CH2 4.12Å; V736-W739 HydrophobicContact CG2-CZ2 3.99Å; V736-W739 HydrophobicContact CG2-CZ3 4.47Å; V736-W739 VanDerWaalsContact O-CB 3.25Å; V736-W739 WeakPolarHBondContact O-CB 3.38Å; V736-W739 PolarHBondContact O-N 3.21Å; W739-L741 PolarHBondContact O-N 2.75Å; W739-L835 HydrophobicContact CH2-CD1 4.1Å; W739-L835 HydrophobicContact CH2-CD2 4.09Å; W739-L835 HydrophobicContact CH2-CG 3.89Å; W739-L835 HydrophobicContact CZ2-CD2 4.41Å; W739-L835 HydrophobicContact CZ2-CG 4.1Å; W739-K837 HydrophobicContact CB-CD 4.46Å; W739-K837 HydrophobicContact CB-CG 4.44Å; W739-K837 HydrophobicContact CD2-CB 4.23Å; W739-K837 HydrophobicContact CG-CB 4.06Å; W739-K837 HydrophobicContact CG-CD 4.44Å; W739-K837 HydrophobicContact CG-CG 4.15Å; W739-K837 PolarHBondContact O-NZ 2.85Å
740	P	92.1	Very high	94	Very high	99 Å²	99	19.6 Å²	19.6	64%	0.643	10%	0.104	S	C	*	.	G	3₁₀ helix	trans	-70.1	-18.5	175.9	-20.3	34.3	0	0	0	113.6	S738	S738-P740 VanDerWaalsContact C-CD 3.47Å
741	L	96.6	Very high	93.9	Very high	18 Å²	18	19.1 Å²	19.1	9%	0.094	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-85.6	-11.5	-167.3	-47.7	178.2	0	0	0	114.1	R697 L700 Q701 Q704 S738 W739	R697-L741 HydrophobicContact CG-CD1 3.97Å; L700-L741 HydrophobicContact CB-CB 3.96Å; L700-L741 HydrophobicContact CB-CD1 3.85Å; Q701-L741 HydrophobicContact CG-CD1 3.78Å; Q701-L741 HydrophobicContact CG-CD2 3.85Å; Q701-L741 HydrophobicContact CG-CG 4.49Å; Q704-L741 HydrophobicContact CG-CB 4.2Å; Q704-L741 HydrophobicContact CG-CD2 3.98Å; Q704-L741 PolarHBondContact NE2-O 2.95Å; S738-L741 WeakPolarHBondContact O-CB 3.4Å; S738-L741 PolarHBondContact O-N 2.75Å; W739-L741 PolarHBondContact O-N 2.75Å
742	F	96.3	Very high	93.7	Very high	9 Å²	9	19.1 Å²	19.1	4%	0.039	10%	0.101	C	C	.	.			trans	-148.4	161.3	179.5	69	-82.4	0	0	0	112.2	V717 I719 H732 L733 S738 Y744 A745 K837	V717-F742 HydrophobicContact CB-CB 4.49Å; V717-F742 HydrophobicContact CG1-CB 3.93Å; I719-F742 HydrophobicContact CD1-CD1 3.92Å; I719-F742 HydrophobicContact CD1-CD2 3.71Å; I719-F742 HydrophobicContact CD1-CE1 3.83Å; I719-F742 HydrophobicContact CD1-CE2 3.57Å; I719-F742 HydrophobicContact CD1-CG 3.87Å; I719-F742 HydrophobicContact CD1-CZ 3.63Å; I719-F742 HydrophobicContact CG1-CB 4.44Å; I719-F742 HydrophobicContact CG1-CD2 3.66Å; I719-F742 HydrophobicContact CG1-CE2 3.91Å; I719-F742 HydrophobicContact CG1-CG 3.98Å; I719-F742 HydrophobicContact CG1-CZ 4.46Å; I719-F742 HydrophobicContact CG2-CB 3.87Å; I719-F742 HydrophobicContact CG2-CG 4.15Å; H732-F742 HydrophobicContact CB-CE1 3.96Å; H732-F742 HydrophobicContact CB-CZ 4.24Å; H732-F742 WeakPolarHBondContact O-CE1 3.45Å; H732-F742 WeakPolarHBondContact O-CZ 3.46Å; L733-F742 HydrophobicContact CD2-CE2 3.86Å; L733-F742 HydrophobicContact CD2-CZ 4Å; L733-F742 HydrophobicContact CG-CZ 4.47Å; S738-F742 VanDerWaalsContact O-CD1 3.23Å; S738-F742 WeakPolarHBondContact O-CD1 3.33Å; S738-F742 WeakPolarHBondContact O-CE1 3.48Å; F742-Y744 WeakPolarHBondContact CD2-O 3.14Å; F742-A745 HydrophobicContact CE2-CB 4.37Å; F742-K837 HydrophobicContact CD2-CD 4.05Å; F742-K837 HydrophobicContact CE1-CD 4.09Å; F742-K837 HydrophobicContact CE2-CD 3.35Å; F742-K837 HydrophobicContact CZ-CD 3.38Å; F742-K837 WeakPolarHBondContact O-CE 3.27Å; F742-K837 PolarHBondContact O-NZ 3.37Å
743	K	92.5	Very high	93.3	Very high	35 Å²	35	22 Å²	22	15%	0.152	12%	0.117	C	C	.	.	S	Bend	trans	-98.3	-73.1	175.9	-162.5	-172.4	-167.2	-175.4	0	110.7	V717 K837 T839	V717-K743 WeakPolarHBondContact O-CA 3.27Å; V717-K743 VanDerWaalsContact O-CB 3.3Å; V717-K743 WeakPolarHBondContact O-CB 3.4Å; V717-K743 PolarHBondContact O-N 2.98Å; K743-K837 WeakPolarHBondContact O-CE 3.27Å; K743-T839 WeakPolarHBondContact O-CB 3.24Å; K743-T839 PolarHBondContact O-OG1 3.37Å
744	Y	93.9	Very high	93.3	Very high	17 Å²	17	22 Å²	22	7%	0.067	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	165.9	-176.4	-53.4	-47.3	0	0	0	112.3	V717 T718 I719 F742 T839 H997	V717-Y744 PolarHBondContact O-N 3.29Å; T718-Y744 WeakPolarHBondContact CA-O 3.14Å; I719-Y744 PolarHBondContact N-O 3.26Å; I719-Y744 VanDerWaalsContact N-O 3.08Å; F742-Y744 WeakPolarHBondContact CD2-O 3.14Å; Y744-T839 WeakPolarHBondContact CD1-OG1 3.3Å; Y744-H997 PolarHBondContact OH-O 3.42Å
745	A	96.4	Very high	93.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.7	177.9	0	0	0	0	0	111.6	I719 V729 L733 F742 S840 V841 L842 F994	I719-A745 HydrophobicContact CG1-CB 4.23Å; I719-A745 CarbonylContact O-C 3.58Å; I719-A745 WeakPolarHBondContact O-CA 3.45Å; V729-A745 HydrophobicContact CG1-CB 3.66Å; L733-A745 HydrophobicContact CD1-CB 4.03Å; L733-A745 HydrophobicContact CD2-CB 3.93Å; L733-A745 HydrophobicContact CG-CB 4.17Å; F742-A745 HydrophobicContact CE2-CB 4.37Å; A745-S840 PolarHBondContact N-O 2.94Å; A745-V841 HydrophobicContact CB-CG1 4.38Å; A745-V841 HydrophobicContact CB-CG2 4.37Å; A745-V841 WeakPolarHBondContact O-CA 3.46Å; A745-L842 PolarHBondContact O-N 2.99Å; A745-L842 VanDerWaalsContact O-N 3.09Å; A745-F994 WeakPolarHBondContact O-CE1 3.24Å; A745-F994 WeakPolarHBondContact O-CZ 3.49Å
746	I	97.8	Very high	93.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.6	172.2	-52.1	178.6	0	0	0	108.6	L636 T718 I719 M720 G721 Q748 L842 W991 F994 I995	L636-I746 HydrophobicContact CD1-CD1 4.33Å; T718-I746 HydrophobicContact CG2-CD1 4.02Å; T718-I746 HydrophobicContact CG2-CG1 3.89Å; I719-I746 PolarHBondContact O-N 2.84Å; M720-I746 WeakPolarHBondContact CA-O 3.48Å; M720-I746 HydrophobicContact CB-CB 3.89Å; M720-I746 HydrophobicContact CB-CD1 4.27Å; M720-I746 HydrophobicContact CB-CG1 4.41Å; M720-I746 HydrophobicContact CG-CB 3.75Å; M720-I746 HydrophobicContact CG-CD1 4.21Å; M720-I746 HydrophobicContact CG-CG1 4.5Å; M720-I746 HydrophobicContact CG-CG2 3.86Å; M720-I746 HydrophobicContact SD-CD1 3.96Å; M720-I746 HydrophobicContact SD-CG2 4.34Å; G721-I746 PolarHBondContact N-O 3.1Å; G721-I746 VanDerWaalsContact N-O 3.17Å; I746-Q748 HydrophobicContact CG2-CG 4.38Å; I746-L842 CarbonylContact C-O 3.45Å; I746-L842 WeakPolarHBondContact CA-O 3.47Å; I746-L842 HydrophobicContact CD1-CD2 4.4Å; I746-L842 HydrophobicContact CG1-CB 4.24Å; I746-L842 HydrophobicContact CG1-CD2 4.49Å; I746-L842 HydrophobicContact CG2-CB 4.26Å; I746-L842 HydrophobicContact CG2-CD2 4.07Å; I746-L842 HydrophobicContact CG2-CG 4.18Å; I746-W991 HydrophobicContact CD1-CG 4.47Å; I746-W991 HydrophobicContact CG2-CZ2 4.46Å; I746-F994 HydrophobicContact CD1-CD1 3.86Å; I746-F994 HydrophobicContact CD1-CE1 4.21Å; I746-F994 HydrophobicContact CG1-CD1 3.77Å; I746-F994 HydrophobicContact CG1-CE1 3.61Å; I746-I995 HydrophobicContact CD1-CG2 4.22Å
747	V	97.6	Very high	93.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	99.4	-170.1	179.5	0	0	0	0	110	V729 G750 V841 L842 L843 G844 L925	V729-V747 HydrophobicContact CB-CG2 4.07Å; V729-V747 HydrophobicContact CG1-CG2 3.5Å; V729-V747 VanDerWaalsContact CG1-CG2 3.5Å; V747-G750 WeakPolarHBondContact CG1-O 3.34Å; V747-V841 HydrophobicContact CG2-CG1 4.23Å; V747-L842 PolarHBondContact N-O 3.03Å; V747-L843 HydrophobicContact CB-CB 3.92Å; V747-L843 WeakPolarHBondContact O-CA 3.16Å; V747-L843 WeakPolarHBondContact O-CB 3.18Å; V747-G844 PolarHBondContact O-N 3.22Å; V747-G844 VanDerWaalsContact O-N 3.15Å; V747-L925 HydrophobicContact CG1-CD2 4.05Å
748	Q	97.9	Very high	94.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.8	-178.9	-67.1	157.3	-133.4	0	0	109.4	G721 E722 S723 I746 G750 F939 E961 W991	G721-Q748 PolarHBondContact O-N 2.92Å; E722-Q748 CarbonylContact C-O 3.5Å; E722-Q748 VanDerWaalsContact CA-O 3.25Å; E722-Q748 WeakPolarHBondContact CA-O 3.37Å; E722-Q748 HydrophobicContact CB-CB 3.82Å; E722-Q748 HydrophobicContact CG-CB 3.95Å; S723-Q748 PolarHBondContact N-O 2.89Å; I746-Q748 HydrophobicContact CG2-CG 4.38Å; Q748-G750 PolarHBondContact O-N 2.84Å; Q748-F939 HydrophobicContact CG-CE1 4.2Å; Q748-F939 HydrophobicContact CG-CZ 3.96Å; Q748-E961 PolarHBondContact NE2-OE1 2.91Å; Q748-W991 HydrophobicContact CG-CZ2 4.34Å
749	S	97.6	Very high	94	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	46	35.7	168.4	-58.4	0	0	0	0	116	G844 E849 F918	S749-G844 PolarHBondContact N-O 2.89Å; S749-E849 VanDerWaalsContact CB-OE1 3.23Å; S749-E849 WeakPolarHBondContact CB-OE1 3.33Å; S749-E849 PolarHBondContact OG-OE1 3.47Å; S749-F918 WeakPolarHBondContact O-CD1 3.3Å
750	G	94.7	Very high	93.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.			trans	-165.2	144.5	-171.8	0	0	0	0	0	113.6	S723 V747 Q748	S723-G750 WeakPolarHBondContact O-CA 3.49Å; V747-G750 WeakPolarHBondContact CG1-O 3.34Å; Q748-G750 PolarHBondContact O-N 2.84Å
751	S	92.3	Very high	93.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.			trans	-164.6	149	-177.4	172.3	0	0	0	0	110	M730 N753 L754 A757	M730-S751 PolarHBondContact SD-OG 3.07Å; S751-N753 VanDerWaalsContact CB-OD1 3.23Å; S751-N753 WeakPolarHBondContact CB-OD1 3.42Å; S751-N753 PolarHBondContact O-N 3.11Å; S751-N753 PolarHBondContact OG-OD1 2.82Å; S751-L754 VanDerWaalsContact N-CD1 3.35Å; S751-L754 WeakPolarHBondContact O-CB 3.38Å; S751-L754 WeakPolarHBondContact O-CG 3.26Å; S751-L754 PolarHBondContact O-N 2.87Å; S751-A757 WeakPolarHBondContact O-CB 3.36Å
752	M	90.8	Very high	93.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-15	-178.4	-74.7	-58.4	-54.8	0	0	114	A727 M730 A731 L754 S758 P815 V817 F831	A727-M752 HydrophobicContact CB-CG 4.49Å; A727-M752 HydrophobicContact CB-SD 3.93Å; A727-M752 VanDerWaalsContact O-CG 3.29Å; A727-M752 WeakPolarHBondContact O-CG 3.28Å; M730-M752 HydrophobicContact CB-CG 4.16Å; M730-M752 HydrophobicContact CE-CB 4.35Å; M730-M752 HydrophobicContact CG-CB 4.25Å; M730-M752 HydrophobicContact CG-CG 4.21Å; M730-M752 HydrophobicContact SD-CB 3.72Å; M730-M752 HydrophobicContact SD-CG 4.29Å; M730-M752 PolarHBondContact SD-N 3.01Å; A731-M752 HydrophobicContact CB-CG 4.13Å; A731-M752 HydrophobicContact CB-SD 4.15Å; M752-L754 VanDerWaalsContact C-N 3.3Å; M752-S758 PolarHBondContact O-OG 2.75Å; M752-P815 HydrophobicContact CE-CB 4Å; M752-P815 HydrophobicContact CE-CG 4.48Å; M752-V817 HydrophobicContact CE-CG2 3.98Å; M752-F831 HydrophobicContact CB-CE2 3.76Å; M752-F831 HydrophobicContact CB-CZ 4.26Å
753	N	87.3	Confident	93.6	Very high	60 Å²	60	27.4 Å²	27.4	32%	0.321	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-7.5	172.4	68.5	-10.3	0	0	0	113.5	S751 F831 G921	S751-N753 VanDerWaalsContact CB-OD1 3.23Å; S751-N753 WeakPolarHBondContact CB-OD1 3.42Å; S751-N753 PolarHBondContact O-N 3.11Å; S751-N753 PolarHBondContact OG-OD1 2.82Å; N753-F831 HydrophobicContact CB-CZ 4.27Å; N753-G921 PolarHBondContact ND2-O 3.47Å; N753-G921 PolarHBondContact OD1-O 3.37Å
754	L	91.8	Very high	93.7	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	14%	0.137	C	C	.	.	S	Bend	trans	-72.4	143.1	-177.1	-62.8	174.3	0	0	0	111.6	S751 M752 W756 A757 Y917 F918	S751-L754 VanDerWaalsContact N-CD1 3.35Å; S751-L754 WeakPolarHBondContact O-CB 3.38Å; S751-L754 WeakPolarHBondContact O-CG 3.26Å; S751-L754 PolarHBondContact O-N 2.87Å; M752-L754 VanDerWaalsContact C-N 3.3Å; L754-W756 HydrophobicContact CB-CZ2 4.35Å; L754-W756 HydrophobicContact CD1-CH2 4.42Å; L754-W756 HydrophobicContact CD1-CZ2 3.48Å; L754-W756 VanDerWaalsContact CD1-CZ2 3.48Å; L754-W756 PolarHBondContact O-N 2.81Å; L754-A757 HydrophobicContact CB-CB 4.03Å; L754-A757 PolarHBondContact O-N 2.87Å; L754-Y917 WeakPolarHBondContact CD2-O 3.21Å; L754-F918 HydrophobicContact CD1-CD1 4.45Å
755	P	91.8	Very high	93.8	Very high	62 Å²	62	26.8 Å²	26.8	40%	0.403	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.5	-173.5	-25.9	34.3	0	0	0	115.8	Y916 Y917	P755-Y916 HydrophobicContact CB-CE1 4.1Å; P755-Y916 HydrophobicContact CG-CD1 4.27Å; P755-Y916 HydrophobicContact CG-CE1 3.53Å; P755-Y916 HydrophobicContact CG-CE2 4.38Å; P755-Y917 HydrophobicContact CB-CD1 4.34Å; P755-Y917 HydrophobicContact CB-CE1 4.41Å; P755-Y917 HydrophobicContact CG-CD1 4.45Å
756	W	93	Very high	93.7	Very high	8 Å²	8	32.7 Å²	32.7	3%	0.03	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-14.3	178	60.1	-103.9	0	0	0	113.6	F644 A727 L754 L809 F811 Y917 F918	F644-W756 HydrophobicContact CD2-CZ3 4.44Å; F644-W756 HydrophobicContact CE2-CZ3 4.07Å; A727-W756 HydrophobicContact CB-CH2 4.32Å; L754-W756 HydrophobicContact CB-CZ2 4.35Å; L754-W756 HydrophobicContact CD1-CH2 4.42Å; L754-W756 HydrophobicContact CD1-CZ2 3.48Å; L754-W756 VanDerWaalsContact CD1-CZ2 3.48Å; L754-W756 PolarHBondContact O-N 2.81Å; W756-L809 WeakPolarHBondContact CB-O 3.3Å; W756-F811 HydrophobicContact CB-CD2 4.11Å; W756-F811 HydrophobicContact CB-CE2 4.27Å; W756-Y917 PolarHBondContact NE1-O 2.89Å; W756-F918 AromaticContact CE2-CE1 3.71Å; W756-F918 HydrophobicContact CZ2-CD1 4.19Å; W756-F918 AromaticContact CZ2-CE1 3.69Å; W756-F918 HydrophobicContact CZ2-CE1 3.69Å; W756-F918 AromaticContact NE1-CD1 3.93Å; W756-F918 AromaticContact NE1-CE1 3.39Å; W756-F918 AromaticContact NE1-CZ 3.61Å
757	A	94.4	Very high	93.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-12.2	-166.4	0	0	0	0	0	114.5	A727 S751 L754	A727-A757 HydrophobicContact CB-CB 4.08Å; S751-A757 WeakPolarHBondContact O-CB 3.36Å; L754-A757 HydrophobicContact CB-CB 4.03Å; L754-A757 PolarHBondContact O-N 2.87Å
758	S	92.9	Very high	93.3	Very high	40 Å²	40	34 Å²	34	28%	0.28	18%	0.175	S	C	.	.			trans	-148.9	159.3	174.5	63.3	0	0	0	0	113.2	M752 P815	M752-S758 PolarHBondContact O-OG 2.75Å; S758-P815 CarbonylContact C-O 3.01Å; S758-P815 VanDerWaalsContact CA-O 3.24Å; S758-P815 WeakPolarHBondContact CA-O 3.47Å; S758-P815 WeakPolarHBondContact CB-O 3.48Å
759	V	92.7	Very high	93.1	Very high	25 Å²	25	35.7 Å²	35.7	15%	0.152	19%	0.186	C	C	.	.			trans	-135	152	179	66.2	0	0	0	0	110.4	D763 L764 V814 P815 V816	V759-D763 HydrophobicContact CG2-CB 4.17Å; V759-L764 HydrophobicContact CG1-CB 3.86Å; V759-L764 HydrophobicContact CG1-CD1 4.19Å; V759-L764 HydrophobicContact CG1-CD2 4.3Å; V759-L764 HydrophobicContact CG1-CG 4.35Å; V759-V814 HydrophobicContact CB-CG2 3.7Å; V759-V814 HydrophobicContact CG1-CG2 3.67Å; V759-V814 WeakPolarHBondContact CG1-O 3.16Å; V759-P815 PolarHBondContact N-O 2.9Å; V759-V816 HydrophobicContact CG1-CG2 4.17Å
760	K	91.7	Very high	92.9	Very high	144 Å²	144	39 Å²	39	63%	0.626	20%	0.202	S	C	*	.			trans	-69.8	135.9	172.4	-65.4	174.1	-177.2	170.2	0	109.9	T762 D763 L764	K760-T762 PolarHBondContact O-N 2.91Å; K760-T762 VanDerWaalsContact O-N 3.11Å; K760-D763 PolarHBondContact O-N 2.79Å; K760-L764 PolarHBondContact O-N 2.84Å
761	K	91.7	Very high	92.8	Very high	49 Å²	49	39 Å²	39	21%	0.213	20%	0.202	C	C	.	.	H	α-helix	trans	-47.5	-39.9	175.3	-163.1	167.5	-166.4	165.2	0	114.1	Y681 D763 L765 V816 D818	Y681-K761 HydrophobicContact CD1-CG 4.18Å; Y681-K761 HydrophobicContact CE1-CD 4.45Å; Y681-K761 HydrophobicContact CE1-CG 3.43Å; Y681-K761 VanDerWaalsContact CE1-CG 3.43Å; Y681-K761 VanDerWaalsContact OH-CE 3.32Å; Y681-K761 WeakPolarHBondContact OH-CE 3.31Å; K761-D763 VanDerWaalsContact C-N 3.31Å; K761-D763 PolarHBondContact O-N 2.92Å; K761-L765 WeakPolarHBondContact O-CB 3.36Å; K761-L765 PolarHBondContact O-N 3.42Å; K761-V816 HydrophobicContact CB-CG1 3.73Å; K761-V816 HydrophobicContact CD-CG1 4.27Å; K761-V816 HydrophobicContact CG-CG1 4.11Å; K761-D818 WeakPolarHBondContact CB-OD2 3.3Å; K761-D818 WeakPolarHBondContact CD-OD2 3.48Å; K761-D818 PolarHBondContact NZ-O 2.71Å
762	T	94.2	Very high	92.9	Very high	86 Å²	86	39 Å²	39	53%	0.528	20%	0.202	S	C	.	.	H	α-helix	trans	-65.9	-27.9	177.2	51.7	0	0	0	0	114.4	K760 K766	K760-T762 PolarHBondContact O-N 2.91Å; K760-T762 VanDerWaalsContact O-N 3.11Å; T762-K766 VanDerWaalsContact O-CE 3.31Å; T762-K766 WeakPolarHBondContact O-CE 3.24Å; T762-K766 WeakPolarHBondContact O-CG 3.49Å
763	D	93.1	Very high	93.1	Very high	46 Å²	46	43.4 Å²	43.4	25%	0.246	22%	0.222	C	C	.	.	H	α-helix	trans	-93.2	-37	-177.1	-60	-39.9	0	0	0	110.4	V759 K760 K761 L765 K766 H767	V759-D763 HydrophobicContact CG2-CB 4.17Å; K760-D763 PolarHBondContact O-N 2.79Å; K761-D763 VanDerWaalsContact C-N 3.31Å; K761-D763 PolarHBondContact O-N 2.92Å; D763-L765 VanDerWaalsContact C-N 3.29Å; D763-L765 PolarHBondContact O-N 3.46Å; D763-K766 WeakPolarHBondContact O-CB 3.5Å; D763-K766 PolarHBondContact O-N 3.3Å; D763-K766 VanDerWaalsContact O-N 3.12Å; D763-K766 IonicContact OD1-NZ 3.05Å; D763-K766 PolarHBondContact OD1-NZ 3.12Å; D763-H767 PolarHBondContact O-CD2 3.03Å; D763-H767 VanDerWaalsContact O-CG 3.26Å; D763-H767 PolarHBondContact O-N 3.39Å; D763-H767 PolarHBondContact O-ND1 3Å
764	L	94.6	Very high	93.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59	-38.9	168.1	-173.2	63.1	0	0	0	112.7	F679 Y681 P689 V759 K760 H767 S768 Y812 F813 V816	F679-L764 WeakPolarHBondContact O-CD1 3.36Å; F679-L764 WeakPolarHBondContact O-CD2 3.45Å; Y681-L764 HydrophobicContact CG-CD2 4.44Å; P689-L764 HydrophobicContact CB-CD2 4.43Å; V759-L764 HydrophobicContact CG1-CB 3.86Å; V759-L764 HydrophobicContact CG1-CD1 4.19Å; V759-L764 HydrophobicContact CG1-CD2 4.3Å; V759-L764 HydrophobicContact CG1-CG 4.35Å; K760-L764 PolarHBondContact O-N 2.84Å; L764-H767 PolarHBondContact O-N 3.19Å; L764-S768 VanDerWaalsContact O-CB 3.29Å; L764-S768 WeakPolarHBondContact O-CB 3.24Å; L764-S768 PolarHBondContact O-N 3.39Å; L764-S768 PolarHBondContact O-OG 3Å; L764-Y812 WeakPolarHBondContact CD1-O 3.32Å; L764-F813 HydrophobicContact CD1-CD1 3.83Å; L764-F813 HydrophobicContact CD1-CE1 4.34Å; L764-V816 HydrophobicContact CB-CG2 4.38Å; L764-V816 HydrophobicContact CD2-CG2 3.38Å
765	L	95.2	Very high	93.4	Very high	39 Å²	39	44.7 Å²	44.7	20%	0.204	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-43.3	173.8	-177.4	64.9	0	0	0	111.5	Y681 L682 N683 K761 D763 S768 V769	Y681-L765 HydrophobicContact CD1-CB 3.94Å; Y681-L765 HydrophobicContact CD1-CD1 4.27Å; Y681-L765 HydrophobicContact CE1-CB 4.03Å; Y681-L765 HydrophobicContact CE1-CD1 4.28Å; L682-L765 HydrophobicContact CD2-CD1 4.26Å; N683-L765 WeakPolarHBondContact ND2-CD2 3.46Å; K761-L765 WeakPolarHBondContact O-CB 3.36Å; K761-L765 PolarHBondContact O-N 3.42Å; D763-L765 VanDerWaalsContact C-N 3.29Å; D763-L765 PolarHBondContact O-N 3.46Å; L765-S768 PolarHBondContact O-N 2.98Å; L765-V769 HydrophobicContact CD1-CG2 4.37Å; L765-V769 WeakPolarHBondContact O-CB 3.4Å; L765-V769 WeakPolarHBondContact O-CG2 3.31Å; L765-V769 PolarHBondContact O-N 3.42Å
766	K	93.9	Very high	93.5	Very high	125 Å²	125	44.1 Å²	44.1	54%	0.543	23%	0.232	S	C	.	.	H	α-helix	trans	-63.2	-43.8	176.2	-64.8	164.3	-163.4	165.6	0	111.4	T762 D763 M770	T762-K766 VanDerWaalsContact O-CE 3.31Å; T762-K766 WeakPolarHBondContact O-CE 3.24Å; T762-K766 WeakPolarHBondContact O-CG 3.49Å; D763-K766 WeakPolarHBondContact O-CB 3.5Å; D763-K766 PolarHBondContact O-N 3.3Å; D763-K766 VanDerWaalsContact O-N 3.12Å; D763-K766 IonicContact OD1-NZ 3.05Å; D763-K766 PolarHBondContact OD1-NZ 3.12Å; K766-M770 WeakPolarHBondContact O-CB 3.46Å; K766-M770 PolarHBondContact O-N 2.99Å
767	H	92.6	Very high	93.6	Very high	26 Å²	26	43.8 Å²	43.8	12%	0.12	23%	0.231	C	C	.	.	H	α-helix	trans	-64.1	-43.7	177.9	-58.1	159.1	0	0	0	111.5	D763 L764 M770 V771 Y812 F813	D763-H767 PolarHBondContact O-CD2 3.03Å; D763-H767 VanDerWaalsContact O-CG 3.26Å; D763-H767 PolarHBondContact O-N 3.39Å; D763-H767 PolarHBondContact O-ND1 3Å; L764-H767 PolarHBondContact O-N 3.19Å; H767-M770 PolarHBondContact O-N 2.95Å; H767-V771 WeakPolarHBondContact O-CG2 3.48Å; H767-V771 PolarHBondContact O-N 3.08Å; H767-Y812 HydrophobicContact CB-CD2 4.29Å; H767-Y812 HydrophobicContact CB-CG 4.5Å; H767-Y812 AromaticContact CE1-CD1 3.63Å; H767-Y812 AromaticContact CE1-CG 3.78Å; H767-Y812 AromaticContact CG-CD2 3.87Å; H767-Y812 AromaticContact CG-CG 3.89Å; H767-Y812 AromaticContact ND1-CD1 3.89Å; H767-Y812 AromaticContact ND1-CG 3.57Å; H767-Y812 PolarHBondContact ND1-O 3.03Å; H767-F813 HydrophobicContact CB-CZ 4.26Å
768	S	94.8	Very high	93.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-49.2	177.2	-60.9	0	0	0	0	111.7	Y681 L764 L765 V771 A772	Y681-S768 PolarHBondContact N-OG 3.29Å; Y681-S768 WeakPolarHBondContact O-CB 3.17Å; Y681-S768 PolarHBondContact O-OG 3.28Å; L764-S768 VanDerWaalsContact O-CB 3.29Å; L764-S768 WeakPolarHBondContact O-CB 3.24Å; L764-S768 PolarHBondContact O-N 3.39Å; L764-S768 PolarHBondContact O-OG 3Å; L765-S768 PolarHBondContact O-N 2.98Å; S768-V771 PolarHBondContact O-N 2.84Å; S768-A772 PolarHBondContact O-N 3.07Å
769	V	94.7	Very high	93.3	Very high	37 Å²	37	49.2 Å²	49.2	22%	0.224	27%	0.268	C	S	.	.	H	α-helix	trans	-65.8	-38.2	176.8	169.8	0	0	0	0	111.9	L682 L765 A772 H773 M784	L682-V769 HydrophobicContact CD2-CG2 3.94Å; L765-V769 HydrophobicContact CD1-CG2 4.37Å; L765-V769 WeakPolarHBondContact O-CB 3.4Å; L765-V769 WeakPolarHBondContact O-CG2 3.31Å; L765-V769 PolarHBondContact O-N 3.42Å; V769-A772 WeakPolarHBondContact O-CB 3.33Å; V769-A772 PolarHBondContact O-N 3.27Å; V769-H773 WeakPolarHBondContact CG1-NE2 3.48Å; V769-H773 PolarHBondContact O-CD2 2.94Å; V769-H773 PolarHBondContact O-N 2.85Å; V769-M784 HydrophobicContact CG1-CE 4.23Å; V769-M784 HydrophobicContact CG1-SD 4.45Å; V769-M784 HydrophobicContact CG2-SD 4.33Å
770	M	93	Very high	93.2	Very high	70 Å²	70	51.2 Å²	51.2	35%	0.345	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-44.5	175.4	172.9	169.2	48.5	0	0	112.4	K766 H767 H773 Q774 T803 Y812	K766-M770 WeakPolarHBondContact O-CB 3.46Å; K766-M770 PolarHBondContact O-N 2.99Å; H767-M770 PolarHBondContact O-N 2.95Å; M770-H773 PolarHBondContact O-N 2.7Å; M770-Q774 WeakPolarHBondContact O-CG 3.48Å; M770-Q774 PolarHBondContact O-N 2.94Å; M770-T803 HydrophobicContact CE-CG2 3.53Å; M770-T803 HydrophobicContact CG-CG2 3.88Å; M770-T803 HydrophobicContact SD-CG2 3.71Å; M770-Y812 HydrophobicContact CE-CE2 4.06Å
771	V	93.1	Very high	93	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-69.1	-35.7	176.3	178.4	0	0	0	0	111.4	I676 H767 S768 Q774 L775 T803 F813	I676-V771 HydrophobicContact CD1-CB 4.09Å; I676-V771 HydrophobicContact CD1-CG1 3.58Å; H767-V771 WeakPolarHBondContact O-CG2 3.48Å; H767-V771 PolarHBondContact O-N 3.08Å; S768-V771 PolarHBondContact O-N 2.84Å; V771-Q774 PolarHBondContact O-N 3.33Å; V771-L775 HydrophobicContact CG1-CD1 3.78Å; V771-L775 HydrophobicContact CG1-CG 4.44Å; V771-L775 WeakPolarHBondContact O-CG 3.21Å; V771-L775 PolarHBondContact O-N 2.8Å; V771-T803 HydrophobicContact CG2-CG2 4.1Å; V771-T803 WeakPolarHBondContact CG2-OG1 3.32Å; V771-F813 HydrophobicContact CB-CZ 4.41Å; V771-F813 HydrophobicContact CG2-CE2 3.97Å; V771-F813 HydrophobicContact CG2-CZ 3.84Å
772	A	94.6	Very high	92.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.7	-50	173	0	0	0	0	0	111.6	S768 V769 Q774 L775 G776 C777 M784 L788	S768-A772 PolarHBondContact O-N 3.07Å; V769-A772 WeakPolarHBondContact O-CB 3.33Å; V769-A772 PolarHBondContact O-N 3.27Å; A772-Q774 PolarHBondContact O-N 2.71Å; A772-L775 PolarHBondContact O-N 2.68Å; A772-G776 PolarHBondContact O-N 3.3Å; A772-C777 HydrophobicContact CB-CB 4.29Å; A772-C777 WeakPolarHBondContact O-CA 3.39Å; A772-C777 WeakPolarHBondContact O-CB 3.48Å; A772-C777 PolarHBondContact O-N 3.21Å; A772-M784 HydrophobicContact CB-CB 4.26Å; A772-M784 HydrophobicContact CB-CG 4.47Å; A772-M784 HydrophobicContact CB-SD 4.06Å; A772-L788 HydrophobicContact CB-CD1 4.01Å
773	H	94	Very high	92.7	Very high	92 Å²	92	51.5 Å²	51.5	43%	0.426	28%	0.28	S	S	.	.	H	α-helix	trans	-60.2	-42.7	174.7	-71.1	-58.6	0	0	0	112.6	V769 M770 L775 G776 D778	V769-H773 WeakPolarHBondContact CG1-NE2 3.48Å; V769-H773 PolarHBondContact O-CD2 2.94Å; V769-H773 PolarHBondContact O-N 2.85Å; M770-H773 PolarHBondContact O-N 2.7Å; H773-L775 VanDerWaalsContact C-N 3.25Å; H773-L775 PolarHBondContact O-N 2.91Å; H773-G776 PolarHBondContact O-N 2.96Å; H773-G776 VanDerWaalsContact O-N 3.07Å; H773-D778 IonicContact CE1-OD1 3.46Å; H773-D778 PolarHBondContact CE1-OD1 3.23Å; H773-D778 IonicContact CG-OD1 3.86Å; H773-D778 IonicContact ND1-OD1 2.71Å; H773-D778 PolarHBondContact ND1-OD1 3.01Å
774	Q	91.8	Very high	92.8	Very high	83 Å²	83	49.7 Å²	49.7	39%	0.388	27%	0.271	S	S	.	.	H	α-helix	trans	-62.2	-31	176.9	-74.3	176.9	-14.1	0	0	113	M770 V771 A772 G776 E799 T803	M770-Q774 WeakPolarHBondContact O-CG 3.48Å; M770-Q774 PolarHBondContact O-N 2.94Å; V771-Q774 PolarHBondContact O-N 3.33Å; A772-Q774 PolarHBondContact O-N 2.71Å; Q774-G776 VanDerWaalsContact C-N 3.32Å; Q774-E799 HydrophobicContact CB-CB 4.42Å; Q774-T803 PolarHBondContact OE1-OG1 3.07Å
775	L	94.1	Very high	92.9	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-78.8	-12.4	175.8	-75.8	161.6	0	0	0	114.1	V771 A772 H773 L788 Q791 K795 I796 E799	V771-L775 HydrophobicContact CG1-CD1 3.78Å; V771-L775 HydrophobicContact CG1-CG 4.44Å; V771-L775 WeakPolarHBondContact O-CG 3.21Å; V771-L775 PolarHBondContact O-N 2.8Å; A772-L775 PolarHBondContact O-N 2.68Å; H773-L775 VanDerWaalsContact C-N 3.25Å; H773-L775 PolarHBondContact O-N 2.91Å; L775-L788 HydrophobicContact CB-CD2 4.37Å; L775-L788 HydrophobicContact CD1-CD2 3.34Å; L775-L788 HydrophobicContact CG-CD2 4.46Å; L775-Q791 HydrophobicContact CD2-CG 4.44Å; L775-K795 HydrophobicContact CD2-CD 3.96Å; L775-K795 HydrophobicContact CD2-CG 3.84Å; L775-K795 PolarHBondContact O-NZ 3.21Å; L775-I796 HydrophobicContact CD1-CB 4.37Å; L775-I796 HydrophobicContact CD1-CG1 4.21Å; L775-I796 HydrophobicContact CD1-CG2 4.17Å; L775-E799 HydrophobicContact CD2-CB 3.94Å; L775-E799 HydrophobicContact CD2-CG 3.41Å; L775-E799 VanDerWaalsContact CD2-CG 3.41Å; L775-E799 HydrophobicContact CG-CB 3.99Å; L775-E799 HydrophobicContact CG-CG 3.84Å
776	G	94	Very high	92.8	Very high	50 Å²	50	51.4 Å²	51.4	52%	0.515	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	15	-172.6	0	0	0	0	0	114.3	A772 H773 Q774 D778	A772-G776 PolarHBondContact O-N 3.3Å; H773-G776 PolarHBondContact O-N 2.96Å; H773-G776 VanDerWaalsContact O-N 3.07Å; Q774-G776 VanDerWaalsContact C-N 3.32Å; G776-D778 PolarHBondContact O-N 3.38Å
777	C	94.7	Very high	92.9	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.007	26%	0.263	C	S	.	.			trans	-94.3	82.6	-178.8	-64.8	0	0	0	0	111.1	A772 M784 C787 L788	A772-C777 HydrophobicContact CB-CB 4.29Å; A772-C777 WeakPolarHBondContact O-CA 3.39Å; A772-C777 WeakPolarHBondContact O-CB 3.48Å; A772-C777 PolarHBondContact O-N 3.21Å; C777-M784 WeakPolarHBondContact O-CG 3.34Å; C777-C787 WeakPolarHBondContact CA-SG 3.46Å; C777-C787 HydrophobicContact CB-CB 3.6Å; C777-C787 WeakPolarHBondContact CB-SG 3.36Å; C777-C787 WeakPolarHBondContact SG-CB 3.4Å; C777-C787 CovalentContact SG-SG 2.04Å; C777-C787 PolarHBondContact SG-SG 3.1Å; C777-L788 HydrophobicContact CB-CD2 4.47Å; C777-L788 HydrophobicContact CB-CG 4.21Å
778	D	91.1	Very high	93.1	Very high	104 Å²	104	45.6 Å²	45.6	56%	0.556	26%	0.258	S	S	*	.			trans	-93.3	156.4	179.7	-67.2	-46.7	0	0	0	113.8	H773 G776	H773-D778 IonicContact CE1-OD1 3.46Å; H773-D778 PolarHBondContact CE1-OD1 3.23Å; H773-D778 IonicContact CG-OD1 3.86Å; H773-D778 IonicContact ND1-OD1 2.71Å; H773-D778 PolarHBondContact ND1-OD1 3.01Å; G776-D778 PolarHBondContact O-N 3.38Å
779	G	89.7	Confident	93.1	Very high	49 Å²	49	47 Å²	47	51%	0.505	26%	0.263	S	S	.	.	S	Bend	trans	126.6	-144.1	165.6	0	0	0	0	0	114.2
780	S	90.3	Very high	93.1	Very high	67 Å²	67	52.8 Å²	52.8	47%	0.469	29%	0.288	S	S	.	.	S	Bend	trans	-74.6	153.7	169.2	51.6	0	0	0	0	110.8	S782 R783 M784	S780-S782 VanDerWaalsContact C-N 3.31Å; S780-S782 PolarHBondContact O-N 2.53Å; S780-S782 VanDerWaalsContact O-N 3.15Å; S780-R783 WeakPolarHBondContact O-CA 3.36Å; S780-R783 WeakPolarHBondContact O-CB 3.39Å; S780-R783 PolarHBondContact O-N 2.89Å; S780-M784 PolarHBondContact O-N 3.37Å
781	E	88.4	Confident	93.2	Very high	58 Å²	58	50.9 Å²	50.9	27%	0.271	28%	0.278	S	S	.	.	H	α-helix	trans	-50.6	-43.9	-175.9	-64.1	-173.2	171.6	0	0	113.8	L682 N683 R783 M784 L785	L682-E781 HydrophobicContact CB-CB 4.26Å; L682-E781 HydrophobicContact CD1-CB 4.14Å; L682-E781 WeakPolarHBondContact CD1-O 3.18Å; L682-E781 HydrophobicContact CD2-CB 4.41Å; L682-E781 HydrophobicContact CD2-CG 4.23Å; N683-E781 VanDerWaalsContact CA-OE2 3.25Å; N683-E781 WeakPolarHBondContact CA-OE2 3.34Å; N683-E781 VanDerWaalsContact CB-OE2 3.23Å; N683-E781 WeakPolarHBondContact CB-OE2 3.42Å; N683-E781 PolarHBondContact N-OE2 3.1Å; N683-E781 PolarHBondContact ND2-OE1 2.89Å; E781-R783 VanDerWaalsContact C-N 3.3Å; E781-R783 PolarHBondContact O-N 3.4Å; E781-M784 WeakPolarHBondContact O-CB 3.19Å; E781-M784 PolarHBondContact O-N 3.12Å; E781-M784 VanDerWaalsContact O-N 3.15Å; E781-L785 WeakPolarHBondContact O-CB 3.36Å; E781-L785 PolarHBondContact O-N 3.41Å
782	S	88.3	Confident	93.4	Very high	55 Å²	55	54.5 Å²	54.5	39%	0.385	30%	0.301	S	S	.	.	H	α-helix	trans	-63.9	-30.6	176.3	116.5	0	0	0	0	113.5	S780 L785 D786	S780-S782 VanDerWaalsContact C-N 3.31Å; S780-S782 PolarHBondContact O-N 2.53Å; S780-S782 VanDerWaalsContact O-N 3.15Å; S782-L785 PolarHBondContact O-N 3.13Å; S782-D786 WeakPolarHBondContact O-CB 3.41Å; S782-D786 PolarHBondContact O-N 3.13Å
783	R	92	Very high	93.4	Very high	172 Å²	172	55.4 Å²	55.4	65%	0.649	31%	0.307	S	S	*	.	H	α-helix	trans	-73.6	-37.3	173.9	-72.7	-176.5	179.5	-175.2	0.6	111.6	S780 E781 L785 C787	S780-R783 WeakPolarHBondContact O-CA 3.36Å; S780-R783 WeakPolarHBondContact O-CB 3.39Å; S780-R783 PolarHBondContact O-N 2.89Å; E781-R783 VanDerWaalsContact C-N 3.3Å; E781-R783 PolarHBondContact O-N 3.4Å; R783-L785 VanDerWaalsContact C-N 3.3Å; R783-C787 VanDerWaalsContact O-CB 3.26Å; R783-C787 WeakPolarHBondContact O-CB 3.45Å; R783-C787 PolarHBondContact O-N 2.8Å
784	M	94.8	Very high	93.4	Very high	9 Å²	9	54 Å²	54	4%	0.044	31%	0.311	C	S	.	.	H	α-helix	trans	-59.3	-47.3	171.4	-58.9	-171.1	159.3	0	0	109.6	L682 V769 A772 C777 S780 E781 C787 L788	L682-M784 HydrophobicContact CD1-CB 4.47Å; V769-M784 HydrophobicContact CG1-CE 4.23Å; V769-M784 HydrophobicContact CG1-SD 4.45Å; V769-M784 HydrophobicContact CG2-SD 4.33Å; A772-M784 HydrophobicContact CB-CB 4.26Å; A772-M784 HydrophobicContact CB-CG 4.47Å; A772-M784 HydrophobicContact CB-SD 4.06Å; C777-M784 WeakPolarHBondContact O-CG 3.34Å; S780-M784 PolarHBondContact O-N 3.37Å; E781-M784 WeakPolarHBondContact O-CB 3.19Å; E781-M784 PolarHBondContact O-N 3.12Å; E781-M784 VanDerWaalsContact O-N 3.15Å; M784-C787 PolarHBondContact O-N 3.23Å; M784-L788 VanDerWaalsContact O-CB 3.31Å; M784-L788 WeakPolarHBondContact O-CB 3.23Å; M784-L788 WeakPolarHBondContact O-CD1 3.34Å; M784-L788 WeakPolarHBondContact O-CG 3.31Å; M784-L788 PolarHBondContact O-N 3.26Å
785	L	95	Very high	93.5	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-47	179.3	-176.9	53.2	0	0	0	113	F570 F680 L682 D684 D686 A687 E781 S782 R783 L788 R789	F570-L785 HydrophobicContact CB-CD1 4.24Å; F570-L785 HydrophobicContact CD2-CD1 3.61Å; F570-L785 HydrophobicContact CE2-CD1 4.42Å; F570-L785 HydrophobicContact CG-CD1 4.31Å; F680-L785 HydrophobicContact CE1-CD1 4.35Å; L682-L785 HydrophobicContact CD1-CB 3.98Å; D684-L785 HydrophobicContact CB-CD2 4.38Å; D686-L785 HydrophobicContact CB-CD2 3.65Å; A687-L785 HydrophobicContact CB-CD1 3.87Å; A687-L785 HydrophobicContact CB-CD2 3.85Å; A687-L785 HydrophobicContact CB-CG 4.49Å; E781-L785 WeakPolarHBondContact O-CB 3.36Å; E781-L785 PolarHBondContact O-N 3.41Å; S782-L785 PolarHBondContact O-N 3.13Å; R783-L785 VanDerWaalsContact C-N 3.3Å; L785-L788 PolarHBondContact O-N 2.61Å; L785-R789 VanDerWaalsContact O-CG 3.32Å; L785-R789 WeakPolarHBondContact O-CG 3.42Å; L785-R789 PolarHBondContact O-N 3.36Å
786	D	93.9	Very high	93.5	Very high	74 Å²	74	53.5 Å²	53.5	40%	0.396	31%	0.308	S	S	.	.	H	α-helix	trans	-63.3	-45.6	177.5	-68.9	-28.4	0	0	0	110.9	S782 L788 R789 E790	S782-D786 WeakPolarHBondContact O-CB 3.41Å; S782-D786 PolarHBondContact O-N 3.13Å; D786-L788 VanDerWaalsContact C-N 3.33Å; D786-L788 PolarHBondContact O-N 3.32Å; D786-R789 WeakPolarHBondContact O-CB 3.48Å; D786-R789 PolarHBondContact O-N 3.19Å; D786-R789 VanDerWaalsContact O-N 3.1Å; D786-E790 PolarHBondContact O-N 3.33Å
787	C	96.4	Very high	93.4	Very high	28 Å²	28	51.7 Å²	51.7	19%	0.189	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-38.2	174.3	172.7	0	0	0	0	113.2	C777 R783 M784 R789 E790 Q791	C777-C787 WeakPolarHBondContact CA-SG 3.46Å; C777-C787 HydrophobicContact CB-CB 3.6Å; C777-C787 WeakPolarHBondContact CB-SG 3.36Å; C777-C787 WeakPolarHBondContact SG-CB 3.4Å; C777-C787 CovalentContact SG-SG 2.04Å; C777-C787 PolarHBondContact SG-SG 3.1Å; R783-C787 VanDerWaalsContact O-CB 3.26Å; R783-C787 WeakPolarHBondContact O-CB 3.45Å; R783-C787 PolarHBondContact O-N 2.8Å; M784-C787 PolarHBondContact O-N 3.23Å; C787-R789 VanDerWaalsContact C-N 3.29Å; C787-R789 PolarHBondContact O-N 2.9Å; C787-E790 PolarHBondContact O-N 3.08Å; C787-Q791 WeakPolarHBondContact O-CG 3.5Å; C787-Q791 PolarHBondContact O-N 2.83Å; C787-Q791 PolarHBondContact O-NE2 2.96Å; C787-Q791 VanDerWaalsContact O-NE2 3.07Å
788	L	95.6	Very high	93.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-71.2	-21.6	176.7	-74	170.2	0	0	0	113.2	R569 F570 F680 A772 L775 C777 M784 L785 D786	R569-L788 PolarHBondContact NH1-O 3.08Å; F570-L788 HydrophobicContact CE2-CB 3.8Å; F570-L788 HydrophobicContact CZ-CB 4.32Å; F680-L788 HydrophobicContact CE1-CD1 3.98Å; F680-L788 HydrophobicContact CE2-CD1 3.53Å; F680-L788 HydrophobicContact CZ-CD1 3.2Å; A772-L788 HydrophobicContact CB-CD1 4.01Å; L775-L788 HydrophobicContact CB-CD2 4.37Å; L775-L788 HydrophobicContact CD1-CD2 3.34Å; L775-L788 HydrophobicContact CG-CD2 4.46Å; C777-L788 HydrophobicContact CB-CD2 4.47Å; C777-L788 HydrophobicContact CB-CG 4.21Å; M784-L788 VanDerWaalsContact O-CB 3.31Å; M784-L788 WeakPolarHBondContact O-CB 3.23Å; M784-L788 WeakPolarHBondContact O-CD1 3.34Å; M784-L788 WeakPolarHBondContact O-CG 3.31Å; M784-L788 PolarHBondContact O-N 3.26Å; L785-L788 PolarHBondContact O-N 2.61Å; D786-L788 VanDerWaalsContact C-N 3.33Å; D786-L788 PolarHBondContact O-N 3.32Å
789	R	95.8	Very high	93.3	Very high	29 Å²	29	49.7 Å²	49.7	11%	0.109	28%	0.28	C	S	.	.	H	α-helix	trans	-76	-28.7	170.8	-72.5	170.1	165.8	149.7	7.1	112.2	G566 R569 D686 L785 D786 C787	G566-R789 WeakPolarHBondContact O-CG 3.4Å; R569-R789 HydrophobicContact CB-CG 4.34Å; R569-R789 PolarHBondContact NH1-O 2.82Å; R569-R789 VanDerWaalsContact NH1-O 3.1Å; R569-R789 PolarHBondContact O-NE 3.03Å; R569-R789 PolarHBondContact O-NH2 2.98Å; D686-R789 PolarHBondContact O-NH2 3.1Å; D686-R789 IonicContact OD2-NH1 2.73Å; D686-R789 PolarHBondContact OD2-NH1 2.98Å; L785-R789 VanDerWaalsContact O-CG 3.32Å; L785-R789 WeakPolarHBondContact O-CG 3.42Å; L785-R789 PolarHBondContact O-N 3.36Å; D786-R789 WeakPolarHBondContact O-CB 3.48Å; D786-R789 PolarHBondContact O-N 3.19Å; D786-R789 VanDerWaalsContact O-N 3.1Å; C787-R789 VanDerWaalsContact C-N 3.29Å; C787-R789 PolarHBondContact O-N 2.9Å
790	E	95	Very high	93.3	Very high	160 Å²	160	47.8 Å²	47.8	75%	0.748	26%	0.259	S	S	*	.	H	α-helix	trans	-79.7	-23	175.3	-65.1	178.7	168.7	0	0	113.6	D786 C787	D786-E790 PolarHBondContact O-N 3.33Å; C787-E790 PolarHBondContact O-N 3.08Å
791	Q	95.8	Very high	93	Very high	29 Å²	29	48.9 Å²	48.9	14%	0.136	26%	0.257	C	S	.	.	S	Bend	trans	-66.6	142.7	179.5	-59.6	-45.2	-65.8	0	0	112.4	R569 L775 C787 I796	R569-Q791 PolarHBondContact NH1-O 3.34Å; R569-Q791 PolarHBondContact NH2-O 3.37Å; L775-Q791 HydrophobicContact CD2-CG 4.44Å; C787-Q791 WeakPolarHBondContact O-CG 3.5Å; C787-Q791 PolarHBondContact O-N 2.83Å; C787-Q791 PolarHBondContact O-NE2 2.96Å; C787-Q791 VanDerWaalsContact O-NE2 3.07Å; Q791-I796 HydrophobicContact CB-CD1 3.96Å; Q791-I796 HydrophobicContact CB-CG1 3.65Å
792	P	96	Very high	92.7	Very high	76 Å²	76	53 Å²	53	49%	0.494	27%	0.273	S	S	.	.			trans	-63.9	138.1	168.6	-21.5	33.3	0	0	0	111.4	A794 K795 I796	P792-A794 VanDerWaalsContact C-N 3.29Å; P792-A794 PolarHBondContact O-N 3.5Å; P792-K795 HydrophobicContact CB-CB 4.43Å; P792-K795 WeakPolarHBondContact O-CA 3.49Å; P792-K795 WeakPolarHBondContact O-CB 3.47Å; P792-K795 PolarHBondContact O-N 3.13Å; P792-I796 PolarHBondContact O-N 3.47Å; P792-I796 VanDerWaalsContact O-N 3.14Å
793	P	94.9	Very high	92	Very high	19 Å²	19	50.9 Å²	50.9	12%	0.123	26%	0.258	C	S	.	.	H	α-helix	trans	-59.7	-36.6	-175	23.6	-34.7	0	0	0	113.2	Y593 E617 F677 K795 I796 L797	Y593-P793 HydrophobicContact CD1-CB 4.25Å; Y593-P793 HydrophobicContact CD2-CB 3.89Å; Y593-P793 HydrophobicContact CD2-CG 4.04Å; Y593-P793 HydrophobicContact CE1-CB 4.25Å; Y593-P793 HydrophobicContact CE1-CG 4.16Å; Y593-P793 HydrophobicContact CE2-CB 3.91Å; Y593-P793 HydrophobicContact CE2-CG 3.53Å; Y593-P793 HydrophobicContact CG-CB 4.05Å; E617-P793 HydrophobicContact CG-CB 3.95Å; E617-P793 HydrophobicContact CG-CG 4.15Å; E617-P793 WeakPolarHBondContact OE2-CG 3.29Å; F677-P793 HydrophobicContact CE1-CB 3.91Å; F677-P793 HydrophobicContact CZ-CB 3.58Å; P793-K795 VanDerWaalsContact C-N 3.3Å; P793-K795 PolarHBondContact O-N 3.28Å; P793-I796 PolarHBondContact O-N 2.84Å; P793-L797 PolarHBondContact O-N 2.8Å
794	A	93.1	Very high	91	Very high	62 Å²	62	48.4 Å²	48.4	51%	0.512	25%	0.249	S	C	.	.	H	α-helix	trans	-63.6	-30.4	174.4	0	0	0	0	0	113.5	P792 G798	P792-A794 VanDerWaalsContact C-N 3.29Å; P792-A794 PolarHBondContact O-N 3.5Å; A794-G798 PolarHBondContact O-N 3.11Å
795	K	94.5	Very high	89.7	Confident	80 Å²	80	48.5 Å²	48.5	35%	0.348	25%	0.251	S	S	.	.	H	α-helix	trans	-72.8	-41.9	173	-171	-164.9	168.5	-159.7	0	110.5	L775 P792 P793 L797 G798 E799	L775-K795 HydrophobicContact CD2-CD 3.96Å; L775-K795 HydrophobicContact CD2-CG 3.84Å; L775-K795 PolarHBondContact O-NZ 3.21Å; P792-K795 HydrophobicContact CB-CB 4.43Å; P792-K795 WeakPolarHBondContact O-CA 3.49Å; P792-K795 WeakPolarHBondContact O-CB 3.47Å; P792-K795 PolarHBondContact O-N 3.13Å; P793-K795 VanDerWaalsContact C-N 3.3Å; P793-K795 PolarHBondContact O-N 3.28Å; K795-L797 PolarHBondContact O-N 3.02Å; K795-G798 PolarHBondContact O-N 3.25Å; K795-G798 VanDerWaalsContact O-N 3.17Å; K795-E799 PolarHBondContact O-N 3.33Å
796	I	95.1	Very high	88.5	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-57.6	-49.2	176.7	-57.3	175.1	0	0	0	110.2	F570 I676 F677 L775 Q791 P792 P793 T800	F570-I796 HydrophobicContact CZ-CD1 4.42Å; I676-I796 HydrophobicContact CD1-CG2 3.88Å; I676-I796 HydrophobicContact CG1-CG2 4.41Å; I676-I796 HydrophobicContact CG2-CG2 3.72Å; F677-I796 HydrophobicContact CE1-CD1 4.1Å; F677-I796 HydrophobicContact CZ-CB 4.23Å; F677-I796 HydrophobicContact CZ-CD1 4.48Å; F677-I796 HydrophobicContact CZ-CG2 4.38Å; L775-I796 HydrophobicContact CD1-CB 4.37Å; L775-I796 HydrophobicContact CD1-CG1 4.21Å; L775-I796 HydrophobicContact CD1-CG2 4.17Å; Q791-I796 HydrophobicContact CB-CD1 3.96Å; Q791-I796 HydrophobicContact CB-CG1 3.65Å; P792-I796 PolarHBondContact O-N 3.47Å; P792-I796 VanDerWaalsContact O-N 3.14Å; P793-I796 PolarHBondContact O-N 2.84Å; I796-T800 WeakPolarHBondContact O-CB 3.31Å; I796-T800 PolarHBondContact O-N 2.71Å; I796-T800 PolarHBondContact O-OG1 3.1Å
797	L	92.1	Very high	87.9	Confident	13 Å²	13	52.4 Å²	52.4	7%	0.068	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-46.3	172.9	-72.3	173.4	0	0	0	112.5	Y593 Q594 L595 F677 P793 K795 E799 T800 E801	Y593-L797 HydrophobicContact CD1-CD1 3.66Å; Y593-L797 HydrophobicContact CG-CD1 4.34Å; Q594-L797 WeakPolarHBondContact O-CD1 3.49Å; L595-L797 HydrophobicContact CD2-CD2 4.47Å; F677-L797 HydrophobicContact CE2-CD1 4.29Å; F677-L797 HydrophobicContact CE2-CD2 3.83Å; F677-L797 HydrophobicContact CE2-CG 3.79Å; F677-L797 HydrophobicContact CZ-CG 4.37Å; P793-L797 PolarHBondContact O-N 2.8Å; K795-L797 PolarHBondContact O-N 3.02Å; L797-E799 VanDerWaalsContact C-N 3.29Å; L797-E799 PolarHBondContact O-N 3.3Å; L797-T800 WeakPolarHBondContact O-CB 3.42Å; L797-T800 PolarHBondContact O-N 3.36Å; L797-T800 VanDerWaalsContact O-N 3.13Å; L797-E801 WeakPolarHBondContact O-CB 3.43Å; L797-E801 PolarHBondContact O-N 2.88Å
798	G	90.9	Very high	87.6	Confident	25 Å²	25	51.3 Å²	51.3	26%	0.258	27%	0.274	S	S	.	.	H	α-helix	trans	-61.9	-31.6	-177.4	0	0	0	0	0	114.2	A794 K795 K802	A794-G798 PolarHBondContact O-N 3.11Å; K795-G798 PolarHBondContact O-N 3.25Å; K795-G798 VanDerWaalsContact O-N 3.17Å; G798-K802 VanDerWaalsContact O-CE 3.23Å; G798-K802 WeakPolarHBondContact O-CE 3.35Å; G798-K802 WeakPolarHBondContact O-CG 3.44Å
799	E	91.2	Very high	87.4	Confident	38 Å²	38	51.4 Å²	51.4	18%	0.178	28%	0.275	C	S	.	.	H	α-helix	trans	-78.7	-43.9	169.2	-58.7	-47.7	134.2	0	0	111.7	Q774 L775 K795 L797 E801 K802 T803	Q774-E799 HydrophobicContact CB-CB 4.42Å; L775-E799 HydrophobicContact CD2-CB 3.94Å; L775-E799 HydrophobicContact CD2-CG 3.41Å; L775-E799 VanDerWaalsContact CD2-CG 3.41Å; L775-E799 HydrophobicContact CG-CB 3.99Å; L775-E799 HydrophobicContact CG-CG 3.84Å; K795-E799 PolarHBondContact O-N 3.33Å; L797-E799 VanDerWaalsContact C-N 3.29Å; L797-E799 PolarHBondContact O-N 3.3Å; E799-E801 PolarHBondContact O-N 2.69Å; E799-K802 WeakPolarHBondContact O-CB 3.31Å; E799-K802 PolarHBondContact O-N 3.35Å; E799-K802 IonicContact OE1-NZ 3.69Å; E799-K802 PolarHBondContact OE1-NZ 3.27Å; E799-K802 WeakPolarHBondContact OE2-CD 3.35Å; E799-K802 WeakPolarHBondContact OE2-CE 3.33Å; E799-K802 IonicContact OE2-NZ 4Å; E799-K802 PolarHBondContact OE2-NZ 3.09Å; E799-T803 PolarHBondContact O-N 3.44Å; E799-T803 PolarHBondContact O-OG1 2.72Å
800	T	90.1	Very high	87	Confident	9 Å²	9	53.7 Å²	53.7	6%	0.055	29%	0.287	C	S	.	.	H	α-helix	trans	-55.1	-36.8	177.4	-57.8	0	0	0	0	113	I676 I796 L797 T803 R804 F813	I676-T800 HydrophobicContact CB-CG2 4.43Å; I676-T800 HydrophobicContact CG2-CG2 4.46Å; I796-T800 WeakPolarHBondContact O-CB 3.31Å; I796-T800 PolarHBondContact O-N 2.71Å; I796-T800 PolarHBondContact O-OG1 3.1Å; L797-T800 WeakPolarHBondContact O-CB 3.42Å; L797-T800 PolarHBondContact O-N 3.36Å; L797-T800 VanDerWaalsContact O-N 3.13Å; T800-T803 WeakPolarHBondContact CA-OG1 3.47Å; T800-T803 WeakPolarHBondContact O-CB 3.42Å; T800-T803 PolarHBondContact O-N 3.35Å; T800-T803 PolarHBondContact O-OG1 3.46Å; T800-R804 PolarHBondContact O-N 2.93Å; T800-F813 HydrophobicContact CG2-CD2 3.89Å; T800-F813 HydrophobicContact CG2-CE2 3.76Å
801	E	83.5	Confident	86.7	Confident	90 Å²	90	47.9 Å²	47.9	42%	0.421	26%	0.259	S	S	.	.	H	α-helix	trans	-66.6	-37.5	177.3	-171.7	174.7	-166	0	0	111.8	L595 L797 E799 T803 R804	L595-E801 HydrophobicContact CD2-CB 4.04Å; L595-E801 HydrophobicContact CD2-CG 4.17Å; L797-E801 WeakPolarHBondContact O-CB 3.43Å; L797-E801 PolarHBondContact O-N 2.88Å; E799-E801 PolarHBondContact O-N 2.69Å; E801-T803 PolarHBondContact O-N 3.08Å; E801-R804 WeakPolarHBondContact O-CB 3.35Å; E801-R804 PolarHBondContact O-N 3.09Å
802	K	83	Confident	86.4	Confident	144 Å²	144	48.8 Å²	48.8	63%	0.626	26%	0.262	S	S	*	.	H	α-helix	trans	-69.8	-23.6	174.1	-58.6	171	-155.8	167.2	0	112.4	G798 E799 R804	G798-K802 VanDerWaalsContact O-CE 3.23Å; G798-K802 WeakPolarHBondContact O-CE 3.35Å; G798-K802 WeakPolarHBondContact O-CG 3.44Å; E799-K802 WeakPolarHBondContact O-CB 3.31Å; E799-K802 PolarHBondContact O-N 3.35Å; E799-K802 IonicContact OE1-NZ 3.69Å; E799-K802 PolarHBondContact OE1-NZ 3.27Å; E799-K802 WeakPolarHBondContact OE2-CD 3.35Å; E799-K802 WeakPolarHBondContact OE2-CE 3.33Å; E799-K802 IonicContact OE2-NZ 4Å; E799-K802 PolarHBondContact OE2-NZ 3.09Å; K802-R804 VanDerWaalsContact C-N 3.3Å
803	T	73.5	Confident	86.4	Confident	10 Å²	10	45.4 Å²	45.4	6%	0.061	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-8.9	175.4	-16.8	0	0	0	0	112.9	M770 V771 Q774 E799 T800 E801 S805 Y812	M770-T803 HydrophobicContact CE-CG2 3.53Å; M770-T803 HydrophobicContact CG-CG2 3.88Å; M770-T803 HydrophobicContact SD-CG2 3.71Å; V771-T803 HydrophobicContact CG2-CG2 4.1Å; V771-T803 WeakPolarHBondContact CG2-OG1 3.32Å; Q774-T803 PolarHBondContact OE1-OG1 3.07Å; E799-T803 PolarHBondContact O-N 3.44Å; E799-T803 PolarHBondContact O-OG1 2.72Å; T800-T803 WeakPolarHBondContact CA-OG1 3.47Å; T800-T803 WeakPolarHBondContact O-CB 3.42Å; T800-T803 PolarHBondContact O-N 3.35Å; T800-T803 PolarHBondContact O-OG1 3.46Å; E801-T803 PolarHBondContact O-N 3.08Å; T803-S805 PolarHBondContact O-N 3.31Å; T803-Y812 HydrophobicContact CG2-CE2 4.3Å; T803-Y812 WeakPolarHBondContact O-CE2 3.42Å
804	R	70	Confident	86.4	Confident	120 Å²	120	44.6 Å²	44.6	45%	0.453	23%	0.234	S	C	.	.			trans	-52.8	137.6	-176.7	-177.6	174.7	178.5	164.7	-1.5	111.9	T800 E801 K802 W857	T800-R804 PolarHBondContact O-N 2.93Å; E801-R804 WeakPolarHBondContact O-CB 3.35Å; E801-R804 PolarHBondContact O-N 3.09Å; K802-R804 VanDerWaalsContact C-N 3.3Å; R804-W857 VanDerWaalsContact NH2-CH2 3.33Å
805	S	67.5	Low	86.5	Confident	12 Å²	12	41.7 Å²	41.7	8%	0.084	21%	0.209	C	C	.	.			trans	-62.7	144.4	178.8	-160.8	0	0	0	0	112.6	T803 T807 Q810	T803-S805 PolarHBondContact O-N 3.31Å; S805-T807 VanDerWaalsContact OG-CB 3.3Å; S805-T807 WeakPolarHBondContact OG-CB 3.32Å; S805-T807 PolarHBondContact OG-N 3.25Å; S805-T807 PolarHBondContact OG-OG1 2.76Å; S805-Q810 PolarHBondContact OG-OE1 2.85Å
806	S	70.7	Confident	86.5	Confident	123 Å²	123	37.9 Å²	37.9	86%	0.86	19%	0.193	S	C	*	.	S	Bend	trans	-78	-10.1	162	57.2	0	0	0	0	112.8
807	T	82.1	Confident	86.1	Confident	33 Å²	33	38.4 Å²	38.4	20%	0.202	20%	0.196	C	C	.	.	S	Bend	trans	-73.7	130.4	175.1	-49.8	0	0	0	0	110.3	S805 L809 Q810 W857	S805-T807 VanDerWaalsContact OG-CB 3.3Å; S805-T807 WeakPolarHBondContact OG-CB 3.32Å; S805-T807 PolarHBondContact OG-N 3.25Å; S805-T807 PolarHBondContact OG-OG1 2.76Å; T807-L809 PolarHBondContact O-N 2.96Å; T807-Q810 VanDerWaalsContact CB-OE1 3.25Å; T807-Q810 HydrophobicContact CG2-CB 4.17Å; T807-Q810 PolarHBondContact O-N 3.23Å; T807-Q810 PolarHBondContact OG1-OE1 3.35Å; T807-W857 WeakPolarHBondContact O-CZ3 3.42Å
808	F	89.8	Confident	85.7	Confident	6 Å²	6	40.9 Å²	40.9	3%	0.026	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	132.4	178.4	-171.5	-83.1	0	0	0	112.3	Q810 W853 W857 L858 T882 V913 Y917	F808-Q810 PolarHBondContact O-N 2.96Å; F808-Q810 VanDerWaalsContact O-N 3.09Å; F808-W853 HydrophobicContact CE1-CB 4.2Å; F808-W853 HydrophobicContact CZ-CB 3.66Å; F808-W857 HydrophobicContact CD2-CB 3.65Å; F808-W857 HydrophobicContact CD2-CG 4.26Å; F808-W857 HydrophobicContact CE2-CB 3.59Å; F808-W857 HydrophobicContact CE2-CG 4.25Å; F808-W857 HydrophobicContact CZ-CB 4.47Å; F808-L858 HydrophobicContact CD2-CD1 4.19Å; F808-L858 HydrophobicContact CD2-CD2 4.4Å; F808-L858 HydrophobicContact CD2-CG 4.05Å; F808-L858 HydrophobicContact CE2-CD1 3.84Å; F808-L858 HydrophobicContact CE2-CG 3.89Å; F808-T882 HydrophobicContact CB-CG2 4.38Å; F808-T882 HydrophobicContact CD1-CG2 3.77Å; F808-T882 HydrophobicContact CD2-CG2 4.21Å; F808-T882 HydrophobicContact CE1-CG2 4.01Å; F808-T882 HydrophobicContact CE2-CG2 4.41Å; F808-T882 HydrophobicContact CG-CG2 3.88Å; F808-T882 HydrophobicContact CZ-CG2 4.31Å; F808-V913 HydrophobicContact CE1-CG1 3.7Å; F808-V913 HydrophobicContact CE1-CG2 3.93Å; F808-V913 HydrophobicContact CZ-CG1 3.93Å; F808-V913 HydrophobicContact CZ-CG2 3.91Å; F808-Y917 HydrophobicContact CD1-CD2 4.49Å; F808-Y917 AromaticContact CD1-CE2 3.71Å; F808-Y917 HydrophobicContact CD1-CE2 3.71Å; F808-Y917 AromaticContact CD1-CZ 3.86Å; F808-Y917 HydrophobicContact CE1-CD2 4.32Å; F808-Y917 AromaticContact CE1-CE2 3.93Å; F808-Y917 HydrophobicContact CE1-CE2 3.93Å; F808-Y917 PolarHBondContact O-OH 3.14Å; F808-Y917 VanDerWaalsContact O-OH 3.11Å
809	L	90.2	Very high	85.5	Confident	2 Å²	2	40 Å²	40	1%	0.01	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	16.4	-177.8	-83.3	176.5	0	0	0	116.6	W756 T807 F811 W853 W857 V913 Y917 F918	W756-L809 WeakPolarHBondContact CB-O 3.3Å; T807-L809 PolarHBondContact O-N 2.96Å; L809-F811 HydrophobicContact CD2-CE2 4.11Å; L809-F811 HydrophobicContact CD2-CZ 4.19Å; L809-F811 WeakPolarHBondContact O-CD2 3.39Å; L809-W853 HydrophobicContact CD1-CB 4.49Å; L809-W853 HydrophobicContact CD1-CD2 4.2Å; L809-W853 HydrophobicContact CD1-CG 4.04Å; L809-W853 HydrophobicContact CD2-CD2 3.76Å; L809-W853 HydrophobicContact CD2-CE3 3.63Å; L809-W853 HydrophobicContact CD2-CG 4.4Å; L809-W853 HydrophobicContact CD2-CH2 4.01Å; L809-W853 HydrophobicContact CD2-CZ2 4.15Å; L809-W853 HydrophobicContact CD2-CZ3 3.77Å; L809-W853 HydrophobicContact CG-CD2 4.34Å; L809-W853 HydrophobicContact CG-CE3 4.48Å; L809-W853 HydrophobicContact CG-CG 4.49Å; L809-W857 HydrophobicContact CD2-CZ2 4.21Å; L809-V913 HydrophobicContact CD1-CG1 4.49Å; L809-Y917 HydrophobicContact CB-CD1 4.07Å; L809-Y917 HydrophobicContact CB-CE1 3.83Å; L809-Y917 HydrophobicContact CD1-CD1 3.96Å; L809-Y917 HydrophobicContact CD1-CD2 3.93Å; L809-Y917 HydrophobicContact CD1-CE1 4.39Å; L809-Y917 HydrophobicContact CD1-CE2 4.39Å; L809-Y917 HydrophobicContact CD1-CG 3.67Å; L809-F918 HydrophobicContact CD1-CE2 3.89Å; L809-F918 HydrophobicContact CD1-CZ 4.18Å
810	Q	87.9	Confident	85.1	Confident	76 Å²	76	43.9 Å²	43.9	36%	0.355	22%	0.217	S	C	.	.			trans	-89.2	114.7	178.5	-168	178.9	29.9	0	0	112.6	S805 T807 F808 Y812	S805-Q810 PolarHBondContact OG-OE1 2.85Å; T807-Q810 VanDerWaalsContact CB-OE1 3.25Å; T807-Q810 HydrophobicContact CG2-CB 4.17Å; T807-Q810 PolarHBondContact O-N 3.23Å; T807-Q810 PolarHBondContact OG1-OE1 3.35Å; F808-Q810 PolarHBondContact O-N 2.96Å; F808-Q810 VanDerWaalsContact O-N 3.09Å; Q810-Y812 HydrophobicContact CG-CD1 4.39Å; Q810-Y812 HydrophobicContact CG-CE1 4.31Å
811	F	89	Confident	85.1	Confident	39 Å²	39	47.2 Å²	47.2	17%	0.171	23%	0.234	C	C	.	.			trans	-101.8	138.6	171.1	-52.3	-82.8	0	0	0	110.2	A645 W756 L809 V814 W857	A645-F811 HydrophobicContact CB-CD1 4.11Å; A645-F811 HydrophobicContact CB-CE1 4.45Å; W756-F811 HydrophobicContact CB-CD2 4.11Å; W756-F811 HydrophobicContact CB-CE2 4.27Å; L809-F811 HydrophobicContact CD2-CE2 4.11Å; L809-F811 HydrophobicContact CD2-CZ 4.19Å; L809-F811 WeakPolarHBondContact O-CD2 3.39Å; F811-V814 HydrophobicContact CB-CG1 3.52Å; F811-W857 HydrophobicContact CE1-CZ2 4.2Å; F811-W857 HydrophobicContact CZ-CZ2 4.13Å
812	Y	90.1	Very high	85.5	Confident	48 Å²	48	42.9 Å²	42.9	19%	0.188	21%	0.214	C	C	.	.	S	Bend	trans	-90.4	-26.7	-174.5	-79.7	2.8	0	0	0	115	L764 H767 M770 T803 Q810	L764-Y812 WeakPolarHBondContact CD1-O 3.32Å; H767-Y812 HydrophobicContact CB-CD2 4.29Å; H767-Y812 HydrophobicContact CB-CG 4.5Å; H767-Y812 AromaticContact CE1-CD1 3.63Å; H767-Y812 AromaticContact CE1-CG 3.78Å; H767-Y812 AromaticContact CG-CD2 3.87Å; H767-Y812 AromaticContact CG-CG 3.89Å; H767-Y812 AromaticContact ND1-CD1 3.89Å; H767-Y812 AromaticContact ND1-CG 3.57Å; H767-Y812 PolarHBondContact ND1-O 3.03Å; M770-Y812 HydrophobicContact CE-CE2 4.06Å; T803-Y812 HydrophobicContact CG2-CE2 4.3Å; T803-Y812 WeakPolarHBondContact O-CE2 3.42Å; Q810-Y812 HydrophobicContact CG-CD1 4.39Å; Q810-Y812 HydrophobicContact CG-CE1 4.31Å
813	F	94.7	Very high	85.7	Confident	5 Å²	5	36.3 Å²	36.3	2%	0.022	19%	0.185	C	C	.	.	S	Bend	trans	-116	81.6	-175.6	-68.1	-77.8	0	0	0	109.1	I676 F679 F680 L764 H767 V771 T800	I676-F813 HydrophobicContact CB-CD1 4.18Å; I676-F813 HydrophobicContact CB-CD2 4.16Å; I676-F813 HydrophobicContact CB-CE1 4.29Å; I676-F813 HydrophobicContact CB-CE2 4.3Å; I676-F813 HydrophobicContact CB-CG 4.12Å; I676-F813 HydrophobicContact CB-CZ 4.36Å; I676-F813 HydrophobicContact CD1-CE1 4.13Å; I676-F813 HydrophobicContact CD1-CE2 4.22Å; I676-F813 HydrophobicContact CD1-CZ 3.79Å; I676-F813 HydrophobicContact CG1-CD1 4.16Å; I676-F813 HydrophobicContact CG1-CE1 3.85Å; I676-F813 HydrophobicContact CG1-CE2 4.39Å; I676-F813 HydrophobicContact CG1-CZ 3.98Å; F679-F813 HydrophobicContact CB-CB 4.11Å; F680-F813 HydrophobicContact CD2-CE1 4.32Å; L764-F813 HydrophobicContact CD1-CD1 3.83Å; L764-F813 HydrophobicContact CD1-CE1 4.34Å; H767-F813 HydrophobicContact CB-CZ 4.26Å; V771-F813 HydrophobicContact CB-CZ 4.41Å; V771-F813 HydrophobicContact CG2-CE2 3.97Å; V771-F813 HydrophobicContact CG2-CZ 3.84Å; T800-F813 HydrophobicContact CG2-CD2 3.89Å; T800-F813 HydrophobicContact CG2-CE2 3.76Å
814	V	95.3	Very high	85.9	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.012	19%	0.192	C	C	.	.			trans	-133.6	169.9	-176.9	-59.5	0	0	0	0	109.6	F644 V759 F811	F644-V814 HydrophobicContact CB-CG1 4.33Å; F644-V814 HydrophobicContact CD2-CB 4.15Å; F644-V814 HydrophobicContact CD2-CG1 4.09Å; V759-V814 HydrophobicContact CB-CG2 3.7Å; V759-V814 HydrophobicContact CG1-CG2 3.67Å; V759-V814 WeakPolarHBondContact CG1-O 3.16Å; F811-V814 HydrophobicContact CB-CG1 3.52Å
815	P	95.9	Very high	85.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.			trans	-60.5	154.4	-176.4	-23	30.4	0	0	0	116	F644 F679 N690 L693 M752 S758 V759	F644-P815 HydrophobicContact CD1-CG 4.16Å; F644-P815 HydrophobicContact CD2-CG 4.3Å; F644-P815 HydrophobicContact CE1-CG 3.74Å; F644-P815 HydrophobicContact CE2-CG 3.88Å; F644-P815 HydrophobicContact CG-CG 4.43Å; F644-P815 HydrophobicContact CZ-CG 3.58Å; F679-P815 HydrophobicContact CD1-CG 4.27Å; F679-P815 HydrophobicContact CE1-CB 4.22Å; F679-P815 HydrophobicContact CE1-CG 3.64Å; F679-P815 HydrophobicContact CZ-CG 4.15Å; N690-P815 VanDerWaalsContact OD1-CA 3.24Å; N690-P815 WeakPolarHBondContact OD1-CA 3.21Å; L693-P815 HydrophobicContact CD1-CB 3.94Å; L693-P815 HydrophobicContact CD1-CG 4.13Å; L693-P815 HydrophobicContact CD2-CG 4.4Å; L693-P815 HydrophobicContact CG-CG 4.38Å; M752-P815 HydrophobicContact CE-CB 4Å; M752-P815 HydrophobicContact CE-CG 4.48Å; S758-P815 CarbonylContact C-O 3.01Å; S758-P815 VanDerWaalsContact CA-O 3.24Å; S758-P815 WeakPolarHBondContact CA-O 3.47Å; S758-P815 WeakPolarHBondContact CB-O 3.48Å; V759-P815 PolarHBondContact N-O 2.9Å
816	V	93.3	Very high	85.5	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.			trans	-111	124.6	175	173.8	0	0	0	0	109	P689 N690 V759 K761 L764 D818 F823	P689-V816 HydrophobicContact CB-CB 4.08Å; P689-V816 HydrophobicContact CB-CG2 4Å; N690-V816 PolarHBondContact ND2-O 3.35Å; N690-V816 PolarHBondContact OD1-N 3.29Å; V759-V816 HydrophobicContact CG1-CG2 4.17Å; K761-V816 HydrophobicContact CB-CG1 3.73Å; K761-V816 HydrophobicContact CD-CG1 4.27Å; K761-V816 HydrophobicContact CG-CG1 4.11Å; L764-V816 HydrophobicContact CB-CG2 4.38Å; L764-V816 HydrophobicContact CD2-CG2 3.38Å; V816-D818 WeakPolarHBondContact CG1-OD1 3.4Å; V816-F823 WeakPolarHBondContact O-CE2 3.44Å
817	V	87.9	Confident	84.9	Confident	11 Å²	11	39.4 Å²	39.4	7%	0.067	19%	0.191	C	C	.	.	S	Bend	trans	-79	-30.4	-179.7	-174.6	0	0	0	0	111.8	M752 D819 Y828 F831	M752-V817 HydrophobicContact CE-CG2 3.98Å; V817-D819 PolarHBondContact O-N 3.39Å; V817-Y828 HydrophobicContact CG1-CD2 4.21Å; V817-F831 HydrophobicContact CG1-CB 3.88Å; V817-F831 HydrophobicContact CG1-CD1 4.49Å; V817-F831 HydrophobicContact CG1-CD2 4.07Å; V817-F831 HydrophobicContact CG1-CG 3.9Å
818	D	82.8	Confident	84	Confident	65 Å²	65	44.1 Å²	44.1	35%	0.348	21%	0.206	S	C	.	.	S	Bend	trans	-81.8	49.5	173.6	62.7	-59.3	0	0	0	113.2	K761 V816	K761-D818 WeakPolarHBondContact CB-OD2 3.3Å; K761-D818 WeakPolarHBondContact CD-OD2 3.48Å; K761-D818 PolarHBondContact NZ-O 2.71Å; V816-D818 WeakPolarHBondContact CG1-OD1 3.4Å
819	D	86.2	Confident	82.7	Confident	7 Å²	7	47.9 Å²	47.9	4%	0.037	22%	0.224	C	C	.	.			trans	-115.4	117	176.6	172.1	39.5	0	0	0	112.5	P689 N690 V817 L821 F822 F823	P689-D819 HydrophobicContact CG-CB 3.97Å; N690-D819 WeakPolarHBondContact ND2-CB 3.49Å; N690-D819 PolarHBondContact ND2-OD2 3.04Å; V817-D819 PolarHBondContact O-N 3.39Å; D819-L821 VanDerWaalsContact C-N 3.33Å; D819-L821 WeakPolarHBondContact OD1-CB 3.24Å; D819-L821 PolarHBondContact OD1-N 2.93Å; D819-F822 WeakPolarHBondContact OD2-CB 3.46Å; D819-F822 PolarHBondContact OD2-N 2.78Å; D819-F823 HydrophobicContact CB-CD2 4.48Å; D819-F823 WeakPolarHBondContact O-CB 3.44Å; D819-F823 PolarHBondContact O-N 2.82Å; D819-F823 VanDerWaalsContact O-N 3.13Å
820	E	83.7	Confident	81.4	Confident	119 Å²	119	48.4 Å²	48.4	56%	0.556	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-19.7	177.1	-61.3	-173.6	-145.6	0	0	113.5	G824	E820-G824 WeakPolarHBondContact CA-O 3.36Å; E820-G824 CarbonylContact O-C 3.55Å; E820-G824 WeakPolarHBondContact O-CA 3.23Å; E820-G824 PolarHBondContact O-N 3.47Å; E820-G824 VanDerWaalsContact O-N 3.16Å
821	L	88.9	Confident	80.3	Confident	79 Å²	79	47.4 Å²	47.4	41%	0.414	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-42	-175	-175.8	59.9	0	0	0	112.1	P572 P688 L694 D819	P572-L821 HydrophobicContact CG-CD2 3.98Å; P688-L821 HydrophobicContact CB-CD2 3.87Å; P688-L821 HydrophobicContact CG-CD2 3.77Å; L694-L821 HydrophobicContact CD1-CD2 3.63Å; L694-L821 HydrophobicContact CD1-CG 3.88Å; L694-L821 HydrophobicContact CD2-CG 4.48Å; D819-L821 VanDerWaalsContact C-N 3.33Å; D819-L821 WeakPolarHBondContact OD1-CB 3.24Å; D819-L821 PolarHBondContact OD1-N 2.93Å
822	F	92.4	Very high	78.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-56.6	171.2	-171.7	-95.3	0	0	0	111.9	N690 L693 L694 R697 A731 H732 A735 D819 G824	N690-F822 HydrophobicContact CB-CB 4.23Å; L693-F822 HydrophobicContact CB-CD1 4.47Å; L693-F822 HydrophobicContact CB-CD2 3.54Å; L693-F822 HydrophobicContact CB-CE1 4.39Å; L693-F822 HydrophobicContact CB-CE2 3.48Å; L693-F822 VanDerWaalsContact CB-CE2 3.48Å; L693-F822 HydrophobicContact CB-CG 4.07Å; L693-F822 HydrophobicContact CB-CZ 3.92Å; L693-F822 HydrophobicContact CD1-CD1 4Å; L693-F822 HydrophobicContact CD1-CE1 4Å; L693-F822 HydrophobicContact CD1-CG 4.26Å; L693-F822 HydrophobicContact CD1-CZ 4.27Å; L693-F822 WeakPolarHBondContact O-CE2 3.22Å; L694-F822 HydrophobicContact CD2-CB 4.43Å; L694-F822 HydrophobicContact CD2-CD2 3.97Å; L694-F822 HydrophobicContact CG-CD2 4.38Å; R697-F822 HydrophobicContact CB-CE2 4.38Å; R697-F822 PolarHBondContact NH1-O 2.78Å; R697-F822 PolarHBondContact NH2-O 3.06Å; A731-F822 HydrophobicContact CB-CE1 3.9Å; A731-F822 HydrophobicContact CB-CZ 4.43Å; H732-F822 AromaticContact CE1-CE2 3.82Å; H732-F822 AromaticContact CE1-CZ 3.66Å; H732-F822 AromaticContact ND1-CZ 3.57Å; A735-F822 HydrophobicContact CB-CD1 3.82Å; A735-F822 HydrophobicContact CB-CE1 3.41Å; A735-F822 VanDerWaalsContact CB-CE1 3.41Å; A735-F822 HydrophobicContact CB-CZ 3.96Å; D819-F822 WeakPolarHBondContact OD2-CB 3.46Å; D819-F822 PolarHBondContact OD2-N 2.78Å; F822-G824 VanDerWaalsContact C-N 3.34Å; F822-G824 PolarHBondContact O-N 3.11Å
823	F	87.8	Confident	77.4	Confident	5 Å²	5	54.8 Å²	54.8	2%	0.022	26%	0.26	C	S	.	.	S	Bend	trans	-85.1	-4	-170.9	-64.3	-82.8	0	0	0	114.5	A731 H734 A735 V816 D819	A731-F823 HydrophobicContact CB-CE1 3.99Å; A731-F823 HydrophobicContact CB-CZ 3.87Å; H734-F823 HydrophobicContact CB-CD1 4.35Å; H734-F823 HydrophobicContact CB-CE1 4.36Å; A735-F823 HydrophobicContact CB-CD1 4.08Å; V816-F823 WeakPolarHBondContact O-CE2 3.44Å; D819-F823 HydrophobicContact CB-CD2 4.48Å; D819-F823 WeakPolarHBondContact O-CB 3.44Å; D819-F823 PolarHBondContact O-N 2.82Å; D819-F823 VanDerWaalsContact O-N 3.13Å
824	G	77	Confident	75.8	Confident	20 Å²	20	56 Å²	56	21%	0.206	27%	0.269	C	S	.	.			trans	79.5	171.6	-174.4	0	0	0	0	0	112.8	E820 F822 K826 G827	E820-G824 WeakPolarHBondContact CA-O 3.36Å; E820-G824 CarbonylContact O-C 3.55Å; E820-G824 WeakPolarHBondContact O-CA 3.23Å; E820-G824 PolarHBondContact O-N 3.47Å; E820-G824 VanDerWaalsContact O-N 3.16Å; F822-G824 VanDerWaalsContact C-N 3.34Å; F822-G824 PolarHBondContact O-N 3.11Å; G824-K826 PolarHBondContact O-N 3.43Å; G824-G827 PolarHBondContact O-N 3.17Å
825	K	68.3	Low	74.4	Confident	185 Å²	185	59.4 Å²	59.4	80%	0.804	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-15.9	-175.2	-64	-164.5	170.6	-177.8	0	116.3
826	K	62	Low	73.9	Confident	120 Å²	120	60.3 Å²	60.3	52%	0.522	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	15.5	176.5	-73.1	-176.9	160.9	-78.1	0	112.6	G824 Y828 E829 N830	G824-K826 PolarHBondContact O-N 3.43Å; K826-Y828 PolarHBondContact O-N 3.33Å; K826-E829 HydrophobicContact CB-CB 4.25Å; K826-E829 WeakPolarHBondContact CG-OE2 3.18Å; K826-E829 IonicContact NZ-OE2 3.33Å; K826-E829 PolarHBondContact NZ-OE2 3.23Å; K826-E829 CarbonylContact O-C 3.25Å; K826-E829 WeakPolarHBondContact O-CA 3.49Å; K826-E829 WeakPolarHBondContact O-CB 3.39Å; K826-E829 PolarHBondContact O-N 2.69Å; K826-N830 WeakPolarHBondContact CB-OD1 3.24Å; K826-N830 VanDerWaalsContact O-CG 3.23Å; K826-N830 PolarHBondContact O-N 3Å; K826-N830 PolarHBondContact O-OD1 2.98Å
827	G	58.5	Low	73.6	Confident	5 Å²	5	61.6 Å²	61.6	5%	0.052	30%	0.299	C	S	.	.	H	α-helix	trans	-51.2	-50.2	-166.1	0	0	0	0	0	116	G824 N830 F831	G824-G827 PolarHBondContact O-N 3.17Å; G827-N830 WeakPolarHBondContact O-CB 3.45Å; G827-N830 PolarHBondContact O-N 3.07Å; G827-F831 PolarHBondContact O-N 3.36Å
828	Y	63.1	Low	73.5	Confident	132 Å²	132	67.8 Å²	67.8	52%	0.518	33%	0.331	S	S	.	.	H	α-helix	trans	-70.4	-35.4	175.8	-174.1	-112.2	0	0	0	113	V817 K826 N830 F831 L832	V817-Y828 HydrophobicContact CG1-CD2 4.21Å; K826-Y828 PolarHBondContact O-N 3.33Å; Y828-N830 VanDerWaalsContact C-N 3.35Å; Y828-F831 PolarHBondContact O-N 3.43Å; Y828-L832 HydrophobicContact CD1-CD1 3.89Å; Y828-L832 HydrophobicContact CD1-CG 4.46Å; Y828-L832 HydrophobicContact CE1-CD1 3.38Å; Y828-L832 HydrophobicContact CE1-CG 4.12Å; Y828-L832 HydrophobicContact CE2-CD1 4.5Å; Y828-L832 HydrophobicContact CE2-CG 4.43Å; Y828-L832 WeakPolarHBondContact O-CG 3.01Å; Y828-L832 PolarHBondContact O-N 2.92Å
829	E	62.5	Low	73.7	Confident	85 Å²	85	65.5 Å²	65.5	40%	0.397	32%	0.319	S	S	.	.	H	α-helix	trans	-64	-37.5	170.9	-71.9	-176.1	178.3	0	0	112.1	K826 F831 L832 H833	K826-E829 HydrophobicContact CB-CB 4.25Å; K826-E829 WeakPolarHBondContact CG-OE2 3.18Å; K826-E829 IonicContact NZ-OE2 3.33Å; K826-E829 PolarHBondContact NZ-OE2 3.23Å; K826-E829 CarbonylContact O-C 3.25Å; K826-E829 WeakPolarHBondContact O-CA 3.49Å; K826-E829 WeakPolarHBondContact O-CB 3.39Å; K826-E829 PolarHBondContact O-N 2.69Å; E829-F831 VanDerWaalsContact C-N 3.3Å; E829-F831 PolarHBondContact O-N 3.02Å; E829-L832 PolarHBondContact O-N 3.5Å; E829-H833 WeakPolarHBondContact O-CA 3.41Å; E829-H833 WeakPolarHBondContact O-CB 3.34Å; E829-H833 PolarHBondContact O-CD2 2.61Å; E829-H833 VanDerWaalsContact O-CD2 3.25Å; E829-H833 VanDerWaalsContact O-CG 3.31Å; E829-H833 PolarHBondContact O-N 2.89Å
830	N	62.5	Low	73.9	Confident	14 Å²	14	66 Å²	66	8%	0.075	32%	0.324	C	S	.	.	H	α-helix	trans	-66.2	-35.9	178.3	-68.2	-14.5	0	0	0	110.8	K826 G827 Y828 S834 L835	K826-N830 WeakPolarHBondContact CB-OD1 3.24Å; K826-N830 VanDerWaalsContact O-CG 3.23Å; K826-N830 PolarHBondContact O-N 3Å; K826-N830 PolarHBondContact O-OD1 2.98Å; G827-N830 WeakPolarHBondContact O-CB 3.45Å; G827-N830 PolarHBondContact O-N 3.07Å; Y828-N830 VanDerWaalsContact C-N 3.35Å; N830-S834 CarbonylContact O-C 3.56Å; N830-S834 WeakPolarHBondContact O-CA 3.36Å; N830-S834 PolarHBondContact O-N 3.49Å; N830-S834 VanDerWaalsContact O-N 3.14Å; N830-L835 HydrophobicContact CB-CB 3.98Å; N830-L835 HydrophobicContact CB-CD2 4.41Å; N830-L835 PolarHBondContact O-N 3.22Å; N830-L835 WeakPolarHBondContact OD1-CD2 3.09Å
831	F	64.7	Low	74.3	Confident	54 Å²	54	60.3 Å²	60.3	24%	0.237	30%	0.297	C	S	.	.	H	α-helix	trans	-68.8	-49.7	173.1	-161.8	-93.6	0	0	0	111.3	M730 M752 N753 V817 G827 Y828 E829 S834	M730-F831 HydrophobicContact CE-CE2 3.69Å; M730-F831 HydrophobicContact CE-CZ 4.17Å; M752-F831 HydrophobicContact CB-CE2 3.76Å; M752-F831 HydrophobicContact CB-CZ 4.26Å; N753-F831 HydrophobicContact CB-CZ 4.27Å; V817-F831 HydrophobicContact CG1-CB 3.88Å; V817-F831 HydrophobicContact CG1-CD1 4.49Å; V817-F831 HydrophobicContact CG1-CD2 4.07Å; V817-F831 HydrophobicContact CG1-CG 3.9Å; G827-F831 PolarHBondContact O-N 3.36Å; Y828-F831 PolarHBondContact O-N 3.43Å; E829-F831 VanDerWaalsContact C-N 3.3Å; E829-F831 PolarHBondContact O-N 3.02Å; F831-S834 PolarHBondContact O-N 2.61Å
832	L	58.2	Low	74.5	Confident	102 Å²	102	57.3 Å²	57.3	53%	0.534	28%	0.282	S	S	.	.	H	α-helix	trans	-69.4	-31.9	-179.4	-71.2	-177.2	0	0	0	114.6	Y828 E829	Y828-L832 HydrophobicContact CD1-CD1 3.89Å; Y828-L832 HydrophobicContact CD1-CG 4.46Å; Y828-L832 HydrophobicContact CE1-CD1 3.38Å; Y828-L832 HydrophobicContact CE1-CG 4.12Å; Y828-L832 HydrophobicContact CE2-CD1 4.5Å; Y828-L832 HydrophobicContact CE2-CG 4.43Å; Y828-L832 WeakPolarHBondContact O-CG 3.01Å; Y828-L832 PolarHBondContact O-N 2.92Å; E829-L832 PolarHBondContact O-N 3.5Å
833	H	59.4	Low	74.7	Confident	140 Å²	140	57.3 Å²	57.3	65%	0.648	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	13.2	177.8	-56.5	-41.9	0	0	0	112.5	E829 L835	E829-H833 WeakPolarHBondContact O-CA 3.41Å; E829-H833 WeakPolarHBondContact O-CB 3.34Å; E829-H833 PolarHBondContact O-CD2 2.61Å; E829-H833 VanDerWaalsContact O-CD2 3.25Å; E829-H833 VanDerWaalsContact O-CG 3.31Å; E829-H833 PolarHBondContact O-N 2.89Å; H833-L835 PolarHBondContact O-N 3.47Å; H833-L835 VanDerWaalsContact O-N 3.15Å
834	S	60.6	Low	75.1	Confident	30 Å²	30	57.1 Å²	57.1	21%	0.21	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	34	175.2	-58.5	0	0	0	0	114.7	N830 F831 T836 H932	N830-S834 CarbonylContact O-C 3.56Å; N830-S834 WeakPolarHBondContact O-CA 3.36Å; N830-S834 PolarHBondContact O-N 3.49Å; N830-S834 VanDerWaalsContact O-N 3.14Å; F831-S834 PolarHBondContact O-N 2.61Å; S834-T836 PolarHBondContact O-N 3.22Å; S834-H932 WeakPolarHBondContact CB-CE1 3.22Å; S834-H932 WeakPolarHBondContact CB-NE2 3.24Å
835	L	67.3	Low	76	Confident	74 Å²	74	58 Å²	58	39%	0.387	28%	0.278	S	S	.	.			trans	-70.6	105.1	170.6	-173.1	72.9	0	0	0	108.8	H734 V736 W739 N830 H833	H734-L835 PolarHBondContact ND1-O 3.32Å; V736-L835 HydrophobicContact CG2-CD2 4.24Å; W739-L835 HydrophobicContact CH2-CD1 4.1Å; W739-L835 HydrophobicContact CH2-CD2 4.09Å; W739-L835 HydrophobicContact CH2-CG 3.89Å; W739-L835 HydrophobicContact CZ2-CD2 4.41Å; W739-L835 HydrophobicContact CZ2-CG 4.1Å; N830-L835 HydrophobicContact CB-CB 3.98Å; N830-L835 HydrophobicContact CB-CD2 4.41Å; N830-L835 PolarHBondContact O-N 3.22Å; N830-L835 WeakPolarHBondContact OD1-CD2 3.09Å; H833-L835 PolarHBondContact O-N 3.47Å; H833-L835 VanDerWaalsContact O-N 3.15Å
836	T	84.2	Confident	77.4	Confident	19 Å²	19	49.2 Å²	49.2	12%	0.117	24%	0.24	C	C	.	.			trans	-130	152.1	-177.7	-179.6	0	0	0	0	110.4	S834 N838 L929 H932 I934	S834-T836 PolarHBondContact O-N 3.22Å; T836-N838 PolarHBondContact O-N 2.9Å; T836-N838 VanDerWaalsContact O-N 3.16Å; T836-L929 HydrophobicContact CG2-CD2 4.1Å; T836-H932 HydrophobicContact CG2-CB 4.45Å; T836-I934 HydrophobicContact CG2-CD1 3.58Å
837	K	87.8	Confident	79.1	Confident	28 Å²	28	48.4 Å²	48.4	12%	0.122	24%	0.238	C	C	.	.			trans	-60.8	115.2	176.7	-178.9	-173.2	167.5	69.4	0	110.5	L733 W739 F742 K743 T839 I934	L733-K837 HydrophobicContact CD2-CB 3.97Å; L733-K837 HydrophobicContact CD2-CD 4.26Å; L733-K837 PolarHBondContact O-N 3.35Å; W739-K837 HydrophobicContact CB-CD 4.46Å; W739-K837 HydrophobicContact CB-CG 4.44Å; W739-K837 HydrophobicContact CD2-CB 4.23Å; W739-K837 HydrophobicContact CG-CB 4.06Å; W739-K837 HydrophobicContact CG-CD 4.44Å; W739-K837 HydrophobicContact CG-CG 4.15Å; W739-K837 PolarHBondContact O-NZ 2.85Å; F742-K837 HydrophobicContact CD2-CD 4.05Å; F742-K837 HydrophobicContact CE1-CD 4.09Å; F742-K837 HydrophobicContact CE2-CD 3.35Å; F742-K837 HydrophobicContact CZ-CD 3.38Å; F742-K837 WeakPolarHBondContact O-CE 3.27Å; F742-K837 PolarHBondContact O-NZ 3.37Å; K743-K837 WeakPolarHBondContact O-CE 3.27Å; K837-T839 HydrophobicContact CD-CG2 4.3Å; K837-T839 HydrophobicContact CG-CG2 4.35Å; K837-T839 PolarHBondContact O-N 3.34Å; K837-I934 WeakPolarHBondContact O-CD1 3.34Å
838	N	86	Confident	80.8	Confident	141 Å²	141	49.1 Å²	49.1	75%	0.754	24%	0.241	S	C	*	.			trans	-61.4	105.8	170.9	-175.8	-22.3	0	0	0	110.3	T836	T836-N838 PolarHBondContact O-N 2.9Å; T836-N838 VanDerWaalsContact O-N 3.16Å
839	T	87.1	Confident	82.5	Confident	16 Å²	16	43 Å²	43	10%	0.098	22%	0.216	C	C	.	.	S	Bend	trans	-155	-161.1	-178	-164.8	0	0	0	0	111.5	L733 K743 Y744 K837 V841	L733-T839 HydrophobicContact CD2-CG2 3.96Å; K743-T839 WeakPolarHBondContact O-CB 3.24Å; K743-T839 PolarHBondContact O-OG1 3.37Å; Y744-T839 WeakPolarHBondContact CD1-OG1 3.3Å; K837-T839 HydrophobicContact CD-CG2 4.3Å; K837-T839 HydrophobicContact CG-CG2 4.35Å; K837-T839 PolarHBondContact O-N 3.34Å; T839-V841 HydrophobicContact CG2-CG2 4.13Å
840	S	89.2	Confident	84	Confident	18 Å²	18	39 Å²	39	13%	0.126	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	141.7	166.2	-53.7	0	0	0	0	109.3	A745 L935	A745-S840 PolarHBondContact N-O 2.94Å; S840-L935 WeakPolarHBondContact CA-O 3.11Å
841	V	91.7	Very high	85.5	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.3	-175.9	-171.9	0	0	0	0	109.7	L733 A745 V747 T839 L843 L929 I934 L935 V936 Y937	L733-V841 HydrophobicContact CD1-CG2 4.31Å; A745-V841 HydrophobicContact CB-CG1 4.38Å; A745-V841 HydrophobicContact CB-CG2 4.37Å; A745-V841 WeakPolarHBondContact O-CA 3.46Å; V747-V841 HydrophobicContact CG2-CG1 4.23Å; T839-V841 HydrophobicContact CG2-CG2 4.13Å; V841-L843 HydrophobicContact CG1-CB 4.35Å; V841-L843 HydrophobicContact CG1-CD2 3.96Å; V841-L929 HydrophobicContact CB-CD1 4.25Å; V841-L929 HydrophobicContact CG1-CD1 4.2Å; V841-L929 HydrophobicContact CG2-CD1 4.13Å; V841-I934 HydrophobicContact CB-CG2 4.49Å; V841-I934 HydrophobicContact CG2-CG2 3.84Å; V841-L935 PolarHBondContact N-O 2.93Å; V841-V936 CarbonylContact O-C 3.01Å; V841-V936 WeakPolarHBondContact O-CA 3.28Å; V841-Y937 PolarHBondContact O-N 3.48Å
842	L	94.7	Very high	86.9	Confident	16 Å²	16	36.8 Å²	36.8	8%	0.084	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127	164.6	172	65.1	0	0	0	107.1	A745 I746 V747 Y937 F939 W991 F994	A745-L842 PolarHBondContact O-N 2.99Å; A745-L842 VanDerWaalsContact O-N 3.09Å; I746-L842 CarbonylContact C-O 3.45Å; I746-L842 WeakPolarHBondContact CA-O 3.47Å; I746-L842 HydrophobicContact CD1-CD2 4.4Å; I746-L842 HydrophobicContact CG1-CB 4.24Å; I746-L842 HydrophobicContact CG1-CD2 4.49Å; I746-L842 HydrophobicContact CG2-CB 4.26Å; I746-L842 HydrophobicContact CG2-CD2 4.07Å; I746-L842 HydrophobicContact CG2-CG 4.18Å; V747-L842 PolarHBondContact N-O 3.03Å; L842-Y937 WeakPolarHBondContact CA-O 3.33Å; L842-F939 HydrophobicContact CD1-CD1 4.08Å; L842-F939 HydrophobicContact CG-CD1 4.46Å; L842-W991 HydrophobicContact CD2-CD2 3.89Å; L842-W991 HydrophobicContact CD2-CE3 4.05Å; L842-W991 HydrophobicContact CD2-CG 4.46Å; L842-W991 HydrophobicContact CD2-CH2 4.21Å; L842-W991 HydrophobicContact CD2-CZ2 4.03Å; L842-W991 HydrophobicContact CD2-CZ3 4.22Å; L842-F994 HydrophobicContact CB-CD1 4.02Å; L842-F994 HydrophobicContact CB-CD2 3.92Å; L842-F994 HydrophobicContact CB-CE1 3.92Å; L842-F994 HydrophobicContact CB-CE2 3.82Å; L842-F994 HydrophobicContact CB-CG 4.02Å; L842-F994 HydrophobicContact CB-CZ 3.82Å; L842-F994 HydrophobicContact CD2-CB 4.41Å; L842-F994 HydrophobicContact CD2-CD1 4.47Å; L842-F994 HydrophobicContact CD2-CG 4.31Å
843	L	95.5	Very high	88.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	160.4	179.9	65.4	90.7	0	0	0	111.8	V747 V841 V922 A926 L929 V936 Y937 L938 F939	V747-L843 HydrophobicContact CB-CB 3.92Å; V747-L843 WeakPolarHBondContact O-CA 3.16Å; V747-L843 WeakPolarHBondContact O-CB 3.18Å; V841-L843 HydrophobicContact CG1-CB 4.35Å; V841-L843 HydrophobicContact CG1-CD2 3.96Å; L843-V922 HydrophobicContact CD1-CG1 3.83Å; L843-A926 HydrophobicContact CD1-CB 3.73Å; L843-A926 HydrophobicContact CD2-CB 4.35Å; L843-L929 HydrophobicContact CD2-CD1 3.81Å; L843-V936 HydrophobicContact CD1-CG1 4.49Å; L843-V936 HydrophobicContact CD2-CG1 3.74Å; L843-V936 HydrophobicContact CG-CG1 3.98Å; L843-Y937 PolarHBondContact N-O 3.39Å; L843-L938 HydrophobicContact CD1-CD1 3.58Å; L843-L938 CarbonylContact O-C 3.12Å; L843-L938 VanDerWaalsContact O-CA 3.28Å; L843-L938 WeakPolarHBondContact O-CA 3.11Å; L843-F939 VanDerWaalsContact O-CD1 3.24Å; L843-F939 WeakPolarHBondContact O-CD1 3.31Å; L843-F939 PolarHBondContact O-N 3.31Å
844	G	95.8	Very high	90	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.1	-178.2	-179.4	0	0	0	0	0	114	V747 S749 F939	V747-G844 PolarHBondContact O-N 3.22Å; V747-G844 VanDerWaalsContact O-N 3.15Å; S749-G844 PolarHBondContact N-O 2.89Å; G844-F939 WeakPolarHBondContact CA-O 3.17Å
845	Y	97.6	Very high	91.4	Very high	39 Å²	39	25.1 Å²	25.1	15%	0.153	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	168.1	-176.8	56.8	-95.6	0	0	0	109.5	E849 T919 V922 L923 L938 F939 N940 F941	Y845-E849 VanDerWaalsContact CA-OE1 3.3Å; Y845-E849 WeakPolarHBondContact CA-OE1 3.48Å; Y845-E849 WeakPolarHBondContact CB-OE1 3.4Å; Y845-T919 HydrophobicContact CD1-CG2 3.99Å; Y845-T919 HydrophobicContact CD2-CG2 3.71Å; Y845-T919 HydrophobicContact CE1-CG2 3.95Å; Y845-T919 HydrophobicContact CE2-CG2 3.67Å; Y845-T919 HydrophobicContact CG-CG2 3.87Å; Y845-V922 HydrophobicContact CD1-CG1 4.25Å; Y845-L923 HydrophobicContact CE1-CD1 4.47Å; Y845-L923 HydrophobicContact CE1-CD2 3.87Å; Y845-L923 HydrophobicContact CE1-CG 4.06Å; Y845-L938 HydrophobicContact CD1-CD1 4.47Å; Y845-L938 HydrophobicContact CE1-CD1 4.17Å; Y845-F939 PolarHBondContact N-O 3.46Å; Y845-N940 HydrophobicContact CD2-CB 4.49Å; Y845-N940 HydrophobicContact CE2-CB 3.89Å; Y845-N940 CarbonylContact O-C 3.41Å; Y845-N940 VanDerWaalsContact O-CA 3.32Å; Y845-N940 WeakPolarHBondContact O-CA 3.42Å; Y845-F941 PolarHBondContact O-N 2.8Å
846	N	97.6	Very high	92.4	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	150.6	179.8	-57.4	-6.4	0	0	0	110.3	D848 E849 F941 A956 M957 G959 E961	N846-D848 VanDerWaalsContact C-N 3.26Å; N846-D848 PolarHBondContact O-N 2.78Å; N846-E849 PolarHBondContact N-OE1 2.77Å; N846-E849 WeakPolarHBondContact O-CG 3.32Å; N846-F941 CarbonylContact C-O 3.44Å; N846-F941 WeakPolarHBondContact CA-O 3.41Å; N846-F941 HydrophobicContact CB-CD1 4.41Å; N846-F941 WeakPolarHBondContact OD1-CB 3.34Å; N846-A956 WeakPolarHBondContact CB-O 3.34Å; N846-M957 PolarHBondContact ND2-O 3.21Å; N846-G959 PolarHBondContact ND2-N 3.01Å; N846-E961 PolarHBondContact ND2-OE2 2.69Å
847	E	96.4	Very high	92.6	Very high	102 Å²	102	23.8 Å²	23.8	48%	0.477	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-30.6	-172.2	-179.1	73.1	-167.2	0	0	113.6	N940 F941 N942 A956	E847-N940 PolarHBondContact OE2-ND2 3.39Å; E847-F941 PolarHBondContact N-O 3.01Å; E847-N942 HydrophobicContact CB-CB 3.83Å; E847-N942 HydrophobicContact CG-CB 4.29Å; E847-A956 HydrophobicContact CB-CB 4.25Å
848	D	95.9	Very high	92.6	Very high	21 Å²	21	23 Å²	23	11%	0.112	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	39.3	-175.9	-60	-81	0	0	0	112.6	N846 G850 S851 K907 M954 G955 A956	N846-D848 VanDerWaalsContact C-N 3.26Å; N846-D848 PolarHBondContact O-N 2.78Å; D848-G850 VanDerWaalsContact C-N 3.26Å; D848-G850 PolarHBondContact O-N 2.8Å; D848-S851 VanDerWaalsContact O-CB 3.28Å; D848-S851 WeakPolarHBondContact O-CB 3.04Å; D848-S851 PolarHBondContact O-N 2.92Å; D848-S851 PolarHBondContact O-OG 2.69Å; D848-K907 IonicContact OD1-NZ 3.52Å; D848-K907 PolarHBondContact OD1-NZ 2.98Å; D848-M954 WeakPolarHBondContact CB-O 3.48Å; D848-G955 WeakPolarHBondContact OD2-CA 3.09Å; D848-A956 WeakPolarHBondContact CA-O 3.28Å; D848-A956 PolarHBondContact N-O 3.01Å; D848-A956 PolarHBondContact OD2-N 2.93Å; D848-A956 VanDerWaalsContact OD2-N 3.08Å
849	E	97.1	Very high	92.6	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.009	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-36.6	-50	179.8	-72.7	-64.5	179.2	0	0	114.4	S749 Y845 N846 S851 F918 H958	S749-E849 VanDerWaalsContact CB-OE1 3.23Å; S749-E849 WeakPolarHBondContact CB-OE1 3.33Å; S749-E849 PolarHBondContact OG-OE1 3.47Å; Y845-E849 VanDerWaalsContact CA-OE1 3.3Å; Y845-E849 WeakPolarHBondContact CA-OE1 3.48Å; Y845-E849 WeakPolarHBondContact CB-OE1 3.4Å; N846-E849 PolarHBondContact N-OE1 2.77Å; N846-E849 WeakPolarHBondContact O-CG 3.32Å; E849-S851 PolarHBondContact O-N 2.89Å; E849-F918 HydrophobicContact CB-CB 4.05Å; E849-F918 HydrophobicContact CB-CD2 4.19Å; E849-F918 HydrophobicContact CB-CG 4.29Å; E849-F918 HydrophobicContact CG-CB 3.78Å; E849-F918 HydrophobicContact CG-CG 4.37Å; E849-H958 IonicContact OE2-CE1 3.8Å; E849-H958 IonicContact OE2-CG 3.96Å; E849-H958 IonicContact OE2-ND1 2.78Å; E849-H958 PolarHBondContact OE2-ND1 3.31Å
850	G	95.1	Very high	92.3	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.01	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-70.6	-14	-173.6	0	0	0	0	0	115.5	D848 F852 W853 S910	D848-G850 VanDerWaalsContact C-N 3.26Å; D848-G850 PolarHBondContact O-N 2.8Å; G850-F852 PolarHBondContact O-N 3.06Å; G850-W853 PolarHBondContact O-N 2.82Å; G850-S910 WeakPolarHBondContact CA-O 3.46Å
851	S	93.8	Very high	92.1	Very high	1 Å²	1	26 Å²	26	1%	0.007	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-67.3	-40	-170	61.9	0	0	0	0	113.1	D848 E849 W853 L854 P855 S910 M954 M957	D848-S851 VanDerWaalsContact O-CB 3.28Å; D848-S851 WeakPolarHBondContact O-CB 3.04Å; D848-S851 PolarHBondContact O-N 2.92Å; D848-S851 PolarHBondContact O-OG 2.69Å; E849-S851 PolarHBondContact O-N 2.89Å; S851-W853 PolarHBondContact O-N 3.48Å; S851-L854 PolarHBondContact O-N 2.89Å; S851-P855 WeakPolarHBondContact O-CD 3.45Å; S851-S910 VanDerWaalsContact CA-OG 3.27Å; S851-S910 WeakPolarHBondContact CA-OG 3.27Å; S851-S910 PolarHBondContact N-OG 2.83Å; S851-S910 VanDerWaalsContact N-OG 3.14Å; S851-M954 PolarHBondContact OG-O 3.11Å; S851-M954 VanDerWaalsContact OG-O 3.06Å; S851-M957 VanDerWaalsContact OG-CB 3.25Å; S851-M957 WeakPolarHBondContact OG-CB 3.24Å
852	F	93.1	Very high	91.9	Very high	22 Å²	22	26.1 Å²	26.1	10%	0.096	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-34.5	177.5	175.7	-121.4	0	0	0	112.7	G850 P855 T856 W950 M957 H958	G850-F852 PolarHBondContact O-N 3.06Å; F852-P855 WeakPolarHBondContact O-CD 3.27Å; F852-T856 HydrophobicContact CD2-CG2 4.32Å; F852-T856 HydrophobicContact CE2-CG2 3.94Å; F852-T856 HydrophobicContact CZ-CG2 4.2Å; F852-T856 WeakPolarHBondContact O-CG2 3.11Å; F852-T856 PolarHBondContact O-OG1 2.85Å; F852-W950 HydrophobicContact CD2-CH2 4.11Å; F852-W950 AromaticContact CD2-CZ2 3.85Å; F852-W950 HydrophobicContact CD2-CZ2 3.85Å; F852-W950 AromaticContact CE2-CH2 3.97Å; F852-W950 HydrophobicContact CE2-CH2 3.97Å; F852-W950 AromaticContact CE2-CZ2 3.61Å; F852-W950 HydrophobicContact CE2-CZ2 3.61Å; F852-M957 HydrophobicContact CB-CE 3.79Å; F852-M957 HydrophobicContact CD2-CE 3.53Å; F852-M957 HydrophobicContact CG-CE 4.03Å; F852-H958 HydrophobicContact CB-CB 4.28Å; F852-H958 HydrophobicContact CD1-CB 4.47Å
853	W	93.1	Very high	91.2	Very high	25 Å²	25	27.1 Å²	27.1	10%	0.095	13%	0.131	C	C	.	.	H	α-helix	trans	-80	-21.5	-172.5	-56	111.9	0	0	0	113.3	F808 L809 G850 S851 T856 W857 V913 F918 H958	F808-W853 HydrophobicContact CE1-CB 4.2Å; F808-W853 HydrophobicContact CZ-CB 3.66Å; L809-W853 HydrophobicContact CD1-CB 4.49Å; L809-W853 HydrophobicContact CD1-CD2 4.2Å; L809-W853 HydrophobicContact CD1-CG 4.04Å; L809-W853 HydrophobicContact CD2-CD2 3.76Å; L809-W853 HydrophobicContact CD2-CE3 3.63Å; L809-W853 HydrophobicContact CD2-CG 4.4Å; L809-W853 HydrophobicContact CD2-CH2 4.01Å; L809-W853 HydrophobicContact CD2-CZ2 4.15Å; L809-W853 HydrophobicContact CD2-CZ3 3.77Å; L809-W853 HydrophobicContact CG-CD2 4.34Å; L809-W853 HydrophobicContact CG-CE3 4.48Å; L809-W853 HydrophobicContact CG-CG 4.49Å; G850-W853 PolarHBondContact O-N 2.82Å; S851-W853 PolarHBondContact O-N 3.48Å; W853-T856 VanDerWaalsContact CA-OG1 3.31Å; W853-T856 WeakPolarHBondContact CA-OG1 3.46Å; W853-T856 PolarHBondContact O-OG1 3.5Å; W853-W857 AromaticContact CE3-CD1 3.8Å; W853-W857 AromaticContact CE3-NE1 3.54Å; W853-W857 AromaticContact CZ3-NE1 3.87Å; W853-W857 PolarHBondContact O-N 3.03Å; W853-V913 HydrophobicContact CB-CG1 4.18Å; W853-F918 AromaticContact CD1-CE2 3.65Å; W853-F918 AromaticContact CE2-CE2 3.93Å; W853-F918 AromaticContact CE2-CZ 3.64Å; W853-F918 HydrophobicContact CZ2-CE1 4.49Å; W853-F918 HydrophobicContact CZ2-CE2 4.47Å; W853-F918 AromaticContact CZ2-CZ 3.74Å; W853-F918 HydrophobicContact CZ2-CZ 3.74Å; W853-F918 AromaticContact NE1-CE2 3.13Å; W853-F918 AromaticContact NE1-CZ 3.27Å; W853-F918 VanDerWaalsContact NE1-CZ 3.27Å; W853-H958 AromaticContact CZ2-CD2 3.46Å; W853-H958 VanDerWaalsContact CZ2-CD2 3.46Å; W853-H958 WeakPolarHBondContact CZ2-CD2 3.27Å; W853-H958 AromaticContact CZ2-NE2 3.66Å
854	L	91.4	Very high	90.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.7	-56.6	177.8	-56.4	-170.2	0	0	0	112.9	S851 T856 L858 F862 R906 L909 V913 W953	S851-L854 PolarHBondContact O-N 2.89Å; L854-T856 VanDerWaalsContact C-N 3.25Å; L854-T856 PolarHBondContact O-N 2.85Å; L854-L858 HydrophobicContact CD2-CD1 4.28Å; L854-L858 CarbonylContact O-C 3.56Å; L854-L858 VanDerWaalsContact O-CA 3.31Å; L854-L858 WeakPolarHBondContact O-CA 3.36Å; L854-L858 WeakPolarHBondContact O-CB 2.95Å; L854-L858 PolarHBondContact O-N 2.85Å; L854-F862 HydrophobicContact CB-CB 4.39Å; L854-F862 HydrophobicContact CB-CD2 3.75Å; L854-F862 HydrophobicContact CB-CE2 4.22Å; L854-F862 HydrophobicContact CB-CG 4.11Å; L854-F862 HydrophobicContact CD1-CE2 4.27Å; L854-F862 HydrophobicContact CD1-CZ 4.37Å; L854-R906 HydrophobicContact CD1-CG 4.15Å; L854-L909 HydrophobicContact CD2-CD2 3.78Å; L854-L909 HydrophobicContact CD2-CG 3.95Å; L854-V913 HydrophobicContact CD2-CG2 4.15Å; L854-W953 HydrophobicContact CB-CH2 4.3Å; L854-W953 HydrophobicContact CD1-CH2 4.2Å; L854-W953 HydrophobicContact CD1-CZ3 4.3Å
855	P	89.9	Confident	89.5	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-74.2	-11	179	32.6	-37.4	0	0	0	113.9	Y600 S851 F852 T859 F862 W950 M954	Y600-P855 HydrophobicContact CE2-CB 4.35Å; Y600-P855 WeakPolarHBondContact CE2-O 3.36Å; Y600-P855 PolarHBondContact OH-O 2.83Å; S851-P855 WeakPolarHBondContact O-CD 3.45Å; F852-P855 WeakPolarHBondContact O-CD 3.27Å; P855-T859 VanDerWaalsContact O-CG2 3.25Å; P855-T859 WeakPolarHBondContact O-CG2 3.41Å; P855-F862 HydrophobicContact CB-CB 4.47Å; P855-W950 HydrophobicContact CB-CZ3 4.32Å; P855-W950 HydrophobicContact CG-CE3 4.31Å; P855-W950 HydrophobicContact CG-CZ3 3.71Å; P855-M954 HydrophobicContact CG-CE 4.02Å; P855-M954 HydrophobicContact CG-SD 4.22Å
856	T	87.4	Confident	87.7	Confident	19 Å²	19	34.9 Å²	34.9	12%	0.117	18%	0.184	C	C	.	.	H	α-helix	trans	-96.4	-30.7	-179.8	52.1	0	0	0	0	113.7	F852 W853 L854 W950	F852-T856 HydrophobicContact CD2-CG2 4.32Å; F852-T856 HydrophobicContact CE2-CG2 3.94Å; F852-T856 HydrophobicContact CZ-CG2 4.2Å; F852-T856 WeakPolarHBondContact O-CG2 3.11Å; F852-T856 PolarHBondContact O-OG1 2.85Å; W853-T856 VanDerWaalsContact CA-OG1 3.31Å; W853-T856 WeakPolarHBondContact CA-OG1 3.46Å; W853-T856 PolarHBondContact O-OG1 3.5Å; L854-T856 VanDerWaalsContact C-N 3.25Å; L854-T856 PolarHBondContact O-N 2.85Å; T856-W950 HydrophobicContact CG2-CH2 4.11Å
857	W	88.3	Confident	86.1	Confident	46 Å²	46	42.4 Å²	42.4	17%	0.174	22%	0.22	C	C	.	.	H	α-helix	trans	-108.7	-26.2	175.6	-70.2	77.6	0	0	0	114.2	R804 T807 F808 L809 F811 W853	R804-W857 VanDerWaalsContact NH2-CH2 3.33Å; T807-W857 WeakPolarHBondContact O-CZ3 3.42Å; F808-W857 HydrophobicContact CD2-CB 3.65Å; F808-W857 HydrophobicContact CD2-CG 4.26Å; F808-W857 HydrophobicContact CE2-CB 3.59Å; F808-W857 HydrophobicContact CE2-CG 4.25Å; F808-W857 HydrophobicContact CZ-CB 4.47Å; L809-W857 HydrophobicContact CD2-CZ2 4.21Å; F811-W857 HydrophobicContact CE1-CZ2 4.2Å; F811-W857 HydrophobicContact CZ-CZ2 4.13Å; W853-W857 AromaticContact CE3-CD1 3.8Å; W853-W857 AromaticContact CE3-NE1 3.54Å; W853-W857 AromaticContact CZ3-NE1 3.87Å; W853-W857 PolarHBondContact O-N 3.03Å
858	L	88.3	Confident	84.5	Confident	12 Å²	12	42.2 Å²	42.2	6%	0.063	22%	0.218	C	C	.	.			trans	-114.2	43.7	-178.6	-61.4	170.9	0	0	0	111.1	F808 L854 Q860 F861 F862 L878 L881 L909	F808-L858 HydrophobicContact CD2-CD1 4.19Å; F808-L858 HydrophobicContact CD2-CD2 4.4Å; F808-L858 HydrophobicContact CD2-CG 4.05Å; F808-L858 HydrophobicContact CE2-CD1 3.84Å; F808-L858 HydrophobicContact CE2-CG 3.89Å; L854-L858 HydrophobicContact CD2-CD1 4.28Å; L854-L858 CarbonylContact O-C 3.56Å; L854-L858 VanDerWaalsContact O-CA 3.31Å; L854-L858 WeakPolarHBondContact O-CA 3.36Å; L854-L858 WeakPolarHBondContact O-CB 2.95Å; L854-L858 PolarHBondContact O-N 2.85Å; L858-Q860 PolarHBondContact O-N 2.69Å; L858-F861 HydrophobicContact CB-CD2 4.48Å; L858-F861 PolarHBondContact O-N 3.46Å; L858-F862 HydrophobicContact CB-CD2 3.98Å; L858-F862 HydrophobicContact CB-CE2 4.39Å; L858-F862 HydrophobicContact CD1-CE2 4.37Å; L858-F862 PolarHBondContact O-N 2.95Å; L858-L878 HydrophobicContact CD1-CD2 4.03Å; L858-L881 HydrophobicContact CD2-CB 4.35Å; L858-L909 HydrophobicContact CD1-CD2 4.08Å
859	T	84.8	Confident	83	Confident	71 Å²	71	45.2 Å²	45.2	44%	0.436	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-26.4	-179.1	51.1	0	0	0	0	114.8	T599 P855 F861 F862	T599-T859 HydrophobicContact CG2-CG2 3.59Å; P855-T859 VanDerWaalsContact O-CG2 3.25Å; P855-T859 WeakPolarHBondContact O-CG2 3.41Å; T859-F861 VanDerWaalsContact C-N 3.33Å; T859-F862 CarbonylContact C-O 3.51Å; T859-F862 WeakPolarHBondContact CA-O 3.42Å
860	Q	81.7	Confident	81.8	Confident	141 Å²	141	45.5 Å²	45.5	66%	0.659	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-18	177.5	70.7	-169.9	17.9	0	0	114.1	L858	L858-Q860 PolarHBondContact O-N 2.69Å
861	F	85.2	Confident	80.9	Confident	26 Å²	26	48.4 Å²	48.4	11%	0.114	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-29.8	177.9	-62.9	-72.1	0	0	0	113.2	L858 T859 E874 E877 L878 L881	L858-F861 HydrophobicContact CB-CD2 4.48Å; L858-F861 PolarHBondContact O-N 3.46Å; T859-F861 VanDerWaalsContact C-N 3.33Å; F861-E874 HydrophobicContact CE1-CG 4.33Å; F861-E877 HydrophobicContact CZ-CG 4.32Å; F861-L878 HydrophobicContact CB-CD2 4.03Å; F861-L878 HydrophobicContact CD1-CD2 4.34Å; F861-L878 HydrophobicContact CD2-CD2 3.35Å; F861-L878 HydrophobicContact CD2-CG 4.33Å; F861-L878 HydrophobicContact CE2-CD2 3.76Å; F861-L878 HydrophobicContact CE2-CG 4.4Å; F861-L878 HydrophobicContact CG-CD2 3.68Å; F861-L878 HydrophobicContact CG-CG 4.48Å; F861-L878 HydrophobicContact CZ-CD2 4.43Å; F861-L881 HydrophobicContact CE2-CD1 3.67Å; F861-L881 HydrophobicContact CZ-CD1 4.3Å
862	F	86.9	Confident	80	Confident	3 Å²	3	53.5 Å²	53.5	1%	0.013	29%	0.291	C	S	.	.			trans	-131.6	136.4	-177.4	-51.3	-73.9	0	0	0	110.8	L854 P855 L858 T859 A870 L878 R906 L909	L854-F862 HydrophobicContact CB-CB 4.39Å; L854-F862 HydrophobicContact CB-CD2 3.75Å; L854-F862 HydrophobicContact CB-CE2 4.22Å; L854-F862 HydrophobicContact CB-CG 4.11Å; L854-F862 HydrophobicContact CD1-CE2 4.27Å; L854-F862 HydrophobicContact CD1-CZ 4.37Å; P855-F862 HydrophobicContact CB-CB 4.47Å; L858-F862 HydrophobicContact CB-CD2 3.98Å; L858-F862 HydrophobicContact CB-CE2 4.39Å; L858-F862 HydrophobicContact CD1-CE2 4.37Å; L858-F862 PolarHBondContact O-N 2.95Å; T859-F862 CarbonylContact C-O 3.51Å; T859-F862 WeakPolarHBondContact CA-O 3.42Å; F862-A870 HydrophobicContact CE1-CB 4.12Å; F862-A870 HydrophobicContact CZ-CB 4.02Å; F862-L878 HydrophobicContact CE2-CD2 3.82Å; F862-L878 HydrophobicContact CZ-CD1 4.17Å; F862-L878 HydrophobicContact CZ-CD2 4.29Å; F862-R906 HydrophobicContact CD1-CG 4.04Å; F862-R906 HydrophobicContact CE1-CB 3.87Å; F862-R906 HydrophobicContact CE1-CG 3.68Å; F862-R906 HydrophobicContact CZ-CG 4.45Å; F862-L909 HydrophobicContact CE2-CD2 3.85Å; F862-L909 HydrophobicContact CZ-CD2 4.06Å
863	N	81.4	Confident	79	Confident	37 Å²	37	60 Å²	60	20%	0.198	33%	0.326	C	S	.	.			trans	-143.6	171.8	176.6	59.1	63.1	0	0	0	111.4	T865 A866 Q868	N863-T865 VanDerWaalsContact C-N 3.34Å; N863-T865 PolarHBondContact O-N 2.93Å; N863-T865 PolarHBondContact OD1-N 3.38Å; N863-T865 VanDerWaalsContact OD1-N 3.1Å; N863-T865 PolarHBondContact OD1-OG1 3.13Å; N863-T865 VanDerWaalsContact OD1-OG1 3.11Å; N863-A866 PolarHBondContact OD1-N 3.32Å; N863-A866 VanDerWaalsContact OD1-N 3.13Å; N863-Q868 PolarHBondContact ND2-OE1 3.32Å
864	I	81.8	Confident	78.6	Confident	37 Å²	37	61.8 Å²	61.8	19%	0.19	34%	0.335	C	S	.	.	S	Bend	trans	-80	-6.4	-177.5	64	171.8	0	0	0	114.7	Y600 F603 W950	Y600-I864 HydrophobicContact CD1-CD1 3.69Å; Y600-I864 HydrophobicContact CD1-CG1 3.82Å; Y600-I864 HydrophobicContact CD1-CG2 4.49Å; Y600-I864 HydrophobicContact CD2-CD1 4.35Å; Y600-I864 HydrophobicContact CD2-CG2 3.92Å; Y600-I864 HydrophobicContact CE1-CD1 4.37Å; Y600-I864 HydrophobicContact CE1-CG1 3.99Å; Y600-I864 HydrophobicContact CE1-CG2 4.36Å; Y600-I864 HydrophobicContact CE2-CG2 3.79Å; Y600-I864 HydrophobicContact CG-CD1 3.69Å; Y600-I864 HydrophobicContact CG-CG1 4.18Å; Y600-I864 HydrophobicContact CG-CG2 4.29Å; F603-I864 HydrophobicContact CB-CD1 4.01Å; F603-I864 HydrophobicContact CD1-CD1 3.85Å; F603-I864 HydrophobicContact CD2-CD1 3.84Å; F603-I864 HydrophobicContact CE1-CD1 4.27Å; F603-I864 HydrophobicContact CE1-CG2 4.12Å; F603-I864 HydrophobicContact CE2-CD1 4.27Å; F603-I864 HydrophobicContact CG-CD1 3.61Å; F603-I864 HydrophobicContact CZ-CD1 4.48Å; F603-I864 HydrophobicContact CZ-CG2 4.49Å; I864-W950 HydrophobicContact CG2-CE3 3.71Å; I864-W950 HydrophobicContact CG2-CH2 4.48Å; I864-W950 HydrophobicContact CG2-CZ3 3.49Å; I864-W950 VanDerWaalsContact CG2-CZ3 3.49Å
865	T	72.3	Confident	78.4	Confident	126 Å²	126	62 Å²	62	77%	0.773	34%	0.337	S	S	*	.	S	Bend	trans	-107.3	-11.9	-170	59	0	0	0	0	114.9	N863	N863-T865 VanDerWaalsContact C-N 3.34Å; N863-T865 PolarHBondContact O-N 2.93Å; N863-T865 PolarHBondContact OD1-N 3.38Å; N863-T865 VanDerWaalsContact OD1-N 3.1Å; N863-T865 PolarHBondContact OD1-OG1 3.13Å; N863-T865 VanDerWaalsContact OD1-OG1 3.11Å
866	A	60.7	Low	78.1	Confident	38 Å²	38	66.2 Å²	66.2	31%	0.314	36%	0.362	S	S	.	.	S	Bend	trans	-137.5	146.8	-179.8	0	0	0	0	0	112.3	N863 Q868	N863-A866 PolarHBondContact OD1-N 3.32Å; N863-A866 VanDerWaalsContact OD1-N 3.13Å; A866-Q868 HydrophobicContact CB-CG 3.84Å; A866-Q868 PolarHBondContact O-N 3.49Å
867	E	64.1	Low	78.2	Confident	160 Å²	160	70.3 Å²	70.3	75%	0.748	38%	0.38	S	S	*	.			trans	-72.8	30.7	172.5	-59.6	-168.7	137.1	0	0	113.2	T869 R906	E867-T869 PolarHBondContact O-N 3.28Å; E867-T869 VanDerWaalsContact O-N 3.09Å; E867-R906 VanDerWaalsContact C-NH1 3.32Å; E867-R906 PolarHBondContact O-NH1 3.18Å
868	Q	61.4	Low	78.3	Confident	97 Å²	97	68.1 Å²	68.1	45%	0.453	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-53.1	117.3	-175.2	-83.4	170.3	-25.8	0	0	111.2	N863 A866 R906	N863-Q868 PolarHBondContact ND2-OE1 3.32Å; A866-Q868 HydrophobicContact CB-CG 3.84Å; A866-Q868 PolarHBondContact O-N 3.49Å; Q868-R906 PolarHBondContact O-NH1 3.19Å; Q868-R906 VanDerWaalsContact O-NH1 3.15Å
869	T	65	Low	78.5	Confident	85 Å²	85	67.5 Å²	67.5	52%	0.521	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-95.7	123.8	168.9	53.3	0	0	0	0	107.9	E867	E867-T869 PolarHBondContact O-N 3.28Å; E867-T869 VanDerWaalsContact O-N 3.09Å
870	A	72.6	Confident	78.8	Confident	8 Å²	8	67.9 Å²	67.9	7%	0.066	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-56.7	144.2	166.6	0	0	0	0	0	110.4	F862 L878 V905	F862-A870 HydrophobicContact CE1-CB 4.12Å; F862-A870 HydrophobicContact CZ-CB 4.02Å; A870-L878 HydrophobicContact CB-CD1 3.37Å; A870-V905 HydrophobicContact CB-CB 4.22Å; A870-V905 HydrophobicContact CB-CG1 3.79Å; A870-V905 VanDerWaalsContact O-CB 3.3Å; A870-V905 WeakPolarHBondContact O-CB 3.34Å; A870-V905 WeakPolarHBondContact O-CG2 3.38Å
871	T	76.3	Confident	79.1	Confident	61 Å²	61	64.2 Å²	64.2	37%	0.374	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-78.3	158.8	176.2	67.3	0	0	0	0	111.1	L873 E874 M875	T871-L873 PolarHBondContact O-N 2.83Å; T871-L873 PolarHBondContact OG1-N 2.92Å; T871-E874 WeakPolarHBondContact CA-OE2 3.48Å; T871-E874 WeakPolarHBondContact CB-OE2 3.46Å; T871-E874 VanDerWaalsContact CG2-OE2 3.3Å; T871-E874 WeakPolarHBondContact CG2-OE2 3.11Å; T871-E874 PolarHBondContact N-OE2 2.87Å; T871-E874 PolarHBondContact O-N 3.07Å; T871-E874 VanDerWaalsContact O-N 3.09Å; T871-E874 PolarHBondContact OG1-N 3.04Å; T871-E874 PolarHBondContact OG1-OE2 3.02Å; T871-M875 PolarHBondContact O-N 2.84Å
872	P	73.8	Confident	79.5	Confident	108 Å²	108	63 Å²	63	70%	0.701	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-11.9	171.6	-25.7	36	0	0	0	114.8	V905	P872-V905 HydrophobicContact CG-CG2 4.17Å
873	L	72.5	Confident	79.8	Confident	158 Å²	158	63.2 Å²	63.2	83%	0.827	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-38.4	173.9	-65.4	169.7	0	0	0	111.5	T871 M875	T871-L873 PolarHBondContact O-N 2.83Å; T871-L873 PolarHBondContact OG1-N 2.92Å; L873-M875 VanDerWaalsContact C-N 3.29Å; L873-M875 PolarHBondContact O-N 3.31Å
874	E	84.4	Confident	80.2	Confident	63 Å²	63	64.4 Å²	64.4	29%	0.294	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-16.8	178.5	-70	153.7	126.6	0	0	112.7	F861 T871 T876 E877 L878	F861-E874 HydrophobicContact CE1-CG 4.33Å; T871-E874 WeakPolarHBondContact CA-OE2 3.48Å; T871-E874 WeakPolarHBondContact CB-OE2 3.46Å; T871-E874 VanDerWaalsContact CG2-OE2 3.3Å; T871-E874 WeakPolarHBondContact CG2-OE2 3.11Å; T871-E874 PolarHBondContact N-OE2 2.87Å; T871-E874 PolarHBondContact O-N 3.07Å; T871-E874 VanDerWaalsContact O-N 3.09Å; T871-E874 PolarHBondContact OG1-N 3.04Å; T871-E874 PolarHBondContact OG1-OE2 3.02Å; E874-T876 VanDerWaalsContact C-N 3.29Å; E874-T876 PolarHBondContact O-N 2.75Å; E874-E877 PolarHBondContact O-N 3.48Å; E874-L878 HydrophobicContact CB-CD1 4.14Å; E874-L878 WeakPolarHBondContact O-CB 3.19Å; E874-L878 WeakPolarHBondContact O-CG 3.29Å; E874-L878 PolarHBondContact O-N 2.83Å
875	M	87.2	Confident	80.4	Confident	6 Å²	6	67.1 Å²	67.1	3%	0.03	37%	0.37	C	S	.	.	H	α-helix	trans	-56	-39.4	-177.2	-174.5	57.8	178.2	0	0	113.4	T871 L873 V879 I895 V905 M908 M912	T871-M875 PolarHBondContact O-N 2.84Å; L873-M875 VanDerWaalsContact C-N 3.29Å; L873-M875 PolarHBondContact O-N 3.31Å; M875-V879 HydrophobicContact CE-CG2 3.54Å; M875-V879 HydrophobicContact CG-CG2 4.41Å; M875-V879 WeakPolarHBondContact O-CB 3.35Å; M875-V879 VanDerWaalsContact O-CG2 3.3Å; M875-V879 WeakPolarHBondContact O-CG2 3.47Å; M875-V879 PolarHBondContact O-N 3.42Å; M875-V879 HydrophobicContact SD-CG2 3.98Å; M875-I895 HydrophobicContact CE-CG1 4.1Å; M875-I895 HydrophobicContact CG-CD1 4.36Å; M875-I895 HydrophobicContact CG-CG1 4.25Å; M875-I895 HydrophobicContact CG-CG2 4.41Å; M875-V905 HydrophobicContact CB-CG1 3.89Å; M875-V905 HydrophobicContact CG-CG1 4.17Å; M875-V905 HydrophobicContact SD-CG1 3.56Å; M875-V905 VanDerWaalsContact SD-CG1 3.56Å; M875-M908 HydrophobicContact CE-CB 4.4Å; M875-M908 HydrophobicContact CE-CE 3.73Å; M875-M908 HydrophobicContact CE-CG 3.66Å; M875-M908 HydrophobicContact CE-SD 3.92Å; M875-M908 HydrophobicContact CG-CE 4Å; M875-M908 HydrophobicContact SD-CE 3.93Å; M875-M912 HydrophobicContact CE-CE 4.4Å; M875-M912 HydrophobicContact CE-SD 3.5Å; M875-M912 WeakPolarHBondContact CE-SD 3.45Å
876	T	84.8	Confident	81.3	Confident	88 Å²	88	63.3 Å²	63.3	54%	0.54	34%	0.344	S	S	.	.	H	α-helix	trans	-67.8	-39.1	178	-52.6	0	0	0	0	111.6	E874 N880	E874-T876 VanDerWaalsContact C-N 3.29Å; E874-T876 PolarHBondContact O-N 2.75Å; T876-N880 VanDerWaalsContact O-CB 3.26Å; T876-N880 WeakPolarHBondContact O-CB 3.46Å; T876-N880 PolarHBondContact O-N 3.48Å
877	E	88.7	Confident	82.9	Confident	105 Å²	105	65 Å²	65	49%	0.491	35%	0.351	S	S	.	.	H	α-helix	trans	-68.1	-45.3	176.6	-175	174.9	170.9	0	0	111.1	F861 E874 V879 N880 L881	F861-E877 HydrophobicContact CZ-CG 4.32Å; E874-E877 PolarHBondContact O-N 3.48Å; E877-V879 PolarHBondContact O-N 2.84Å; E877-N880 PolarHBondContact O-N 3.44Å; E877-L881 HydrophobicContact CG-CD1 4.03Å; E877-L881 WeakPolarHBondContact O-CB 3.46Å; E877-L881 VanDerWaalsContact O-CG 3.31Å; E877-L881 WeakPolarHBondContact O-CG 3.36Å; E877-L881 PolarHBondContact O-N 3.14Å
878	L	91.2	Very high	84.1	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-58.4	-46.1	175.2	-76.7	166	0	0	0	112.5	L858 F861 F862 A870 E874 L881 T882 L909	L858-L878 HydrophobicContact CD1-CD2 4.03Å; F861-L878 HydrophobicContact CB-CD2 4.03Å; F861-L878 HydrophobicContact CD1-CD2 4.34Å; F861-L878 HydrophobicContact CD2-CD2 3.35Å; F861-L878 HydrophobicContact CD2-CG 4.33Å; F861-L878 HydrophobicContact CE2-CD2 3.76Å; F861-L878 HydrophobicContact CE2-CG 4.4Å; F861-L878 HydrophobicContact CG-CD2 3.68Å; F861-L878 HydrophobicContact CG-CG 4.48Å; F861-L878 HydrophobicContact CZ-CD2 4.43Å; F862-L878 HydrophobicContact CE2-CD2 3.82Å; F862-L878 HydrophobicContact CZ-CD1 4.17Å; F862-L878 HydrophobicContact CZ-CD2 4.29Å; A870-L878 HydrophobicContact CB-CD1 3.37Å; E874-L878 HydrophobicContact CB-CD1 4.14Å; E874-L878 WeakPolarHBondContact O-CB 3.19Å; E874-L878 WeakPolarHBondContact O-CG 3.29Å; E874-L878 PolarHBondContact O-N 2.83Å; L878-L881 PolarHBondContact O-N 2.3Å; L878-T882 VanDerWaalsContact O-CB 3.29Å; L878-T882 WeakPolarHBondContact O-CB 3.48Å; L878-T882 PolarHBondContact O-N 2.87Å; L878-T882 PolarHBondContact O-OG1 2.91Å; L878-L909 HydrophobicContact CB-CD2 3.99Å; L878-L909 HydrophobicContact CD1-CD2 4.29Å; L878-L909 HydrophobicContact CD2-CD2 3.97Å; L878-L909 HydrophobicContact CG-CD2 4.32Å
879	V	91.8	Very high	85.6	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-66.7	-39.1	176.4	168.5	0	0	0	0	111.3	M875 E877 T882 F883 Q891 I895 L909 M912	M875-V879 HydrophobicContact CE-CG2 3.54Å; M875-V879 HydrophobicContact CG-CG2 4.41Å; M875-V879 WeakPolarHBondContact O-CB 3.35Å; M875-V879 VanDerWaalsContact O-CG2 3.3Å; M875-V879 WeakPolarHBondContact O-CG2 3.47Å; M875-V879 PolarHBondContact O-N 3.42Å; M875-V879 HydrophobicContact SD-CG2 3.98Å; E877-V879 PolarHBondContact O-N 2.84Å; V879-T882 PolarHBondContact O-N 3.46Å; V879-F883 HydrophobicContact CG1-CD2 4.11Å; V879-F883 WeakPolarHBondContact O-CA 3.44Å; V879-F883 WeakPolarHBondContact O-CB 3.39Å; V879-F883 PolarHBondContact O-N 2.56Å; V879-Q891 HydrophobicContact CG1-CB 3.7Å; V879-Q891 HydrophobicContact CG1-CG 3.78Å; V879-I895 HydrophobicContact CB-CD1 4.21Å; V879-I895 HydrophobicContact CB-CG1 4.45Å; V879-I895 HydrophobicContact CG1-CD1 4.27Å; V879-I895 HydrophobicContact CG1-CG1 4.41Å; V879-I895 HydrophobicContact CG2-CD1 4.06Å; V879-I895 HydrophobicContact CG2-CG1 3.84Å; V879-L909 HydrophobicContact CG2-CD1 4.26Å; V879-M912 HydrophobicContact CG1-CE 4.28Å; V879-M912 HydrophobicContact CG2-CE 3.68Å; V879-M912 HydrophobicContact CG2-SD 4.37Å
880	N	90.1	Very high	87	Confident	78 Å²	78	67.6 Å²	67.6	42%	0.417	36%	0.358	S	S	.	.	H	α-helix	trans	-69.3	-32.9	177.3	-173.7	63.6	0	0	0	113.1	T876 E877 S884 Q891	T876-N880 VanDerWaalsContact O-CB 3.26Å; T876-N880 WeakPolarHBondContact O-CB 3.46Å; T876-N880 PolarHBondContact O-N 3.48Å; E877-N880 PolarHBondContact O-N 3.44Å; N880-S884 WeakPolarHBondContact O-CA 3.32Å; N880-S884 WeakPolarHBondContact O-CB 3.29Å; N880-S884 PolarHBondContact O-N 3.03Å; N880-Q891 PolarHBondContact OD1-NE2 2.83Å; N880-Q891 VanDerWaalsContact OD1-NE2 3.14Å
881	L	89.6	Confident	87.9	Confident	65 Å²	65	67.7 Å²	67.7	34%	0.34	36%	0.356	S	S	.	.	H	α-helix	trans	-72.2	-37.4	173.1	-72.3	168	0	0	0	112.4	L858 F861 E877 L878	L858-L881 HydrophobicContact CD2-CB 4.35Å; F861-L881 HydrophobicContact CE2-CD1 3.67Å; F861-L881 HydrophobicContact CZ-CD1 4.3Å; E877-L881 HydrophobicContact CG-CD1 4.03Å; E877-L881 WeakPolarHBondContact O-CB 3.46Å; E877-L881 VanDerWaalsContact O-CG 3.31Å; E877-L881 WeakPolarHBondContact O-CG 3.36Å; E877-L881 PolarHBondContact O-N 3.14Å; L878-L881 PolarHBondContact O-N 2.3Å
882	T	92.4	Very high	88.6	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-79.2	-41.5	-178.2	-51.6	0	0	0	0	111.9	F808 L878 V879 V913 Y917	F808-T882 HydrophobicContact CB-CG2 4.38Å; F808-T882 HydrophobicContact CD1-CG2 3.77Å; F808-T882 HydrophobicContact CD2-CG2 4.21Å; F808-T882 HydrophobicContact CE1-CG2 4.01Å; F808-T882 HydrophobicContact CE2-CG2 4.41Å; F808-T882 HydrophobicContact CG-CG2 3.88Å; F808-T882 HydrophobicContact CZ-CG2 4.31Å; L878-T882 VanDerWaalsContact O-CB 3.29Å; L878-T882 WeakPolarHBondContact O-CB 3.48Å; L878-T882 PolarHBondContact O-N 2.87Å; L878-T882 PolarHBondContact O-OG1 2.91Å; V879-T882 PolarHBondContact O-N 3.46Å; T882-V913 HydrophobicContact CG2-CG2 3.66Å; T882-Y917 HydrophobicContact CG2-CE2 4.36Å; T882-Y917 PolarHBondContact O-OH 2.96Å
883	F	92.9	Very high	89.4	Confident	7 Å²	7	67.8 Å²	67.8	3%	0.031	35%	0.353	C	S	.	.			trans	-123.2	42.4	-170.9	-54.1	-80	0	0	0	111.8	V879 F885 L886 L909 M912 V913 Y916 Y917	V879-F883 HydrophobicContact CG1-CD2 4.11Å; V879-F883 WeakPolarHBondContact O-CA 3.44Å; V879-F883 WeakPolarHBondContact O-CB 3.39Å; V879-F883 PolarHBondContact O-N 2.56Å; F883-F885 HydrophobicContact CB-CE1 4.32Å; F883-F885 HydrophobicContact CB-CZ 4.36Å; F883-F885 HydrophobicContact CD1-CE1 4.22Å; F883-F885 AromaticContact CD1-CZ 3.89Å; F883-F885 HydrophobicContact CD1-CZ 3.89Å; F883-F885 PolarHBondContact O-N 3.1Å; F883-L886 HydrophobicContact CB-CB 4.49Å; F883-L886 HydrophobicContact CB-CD1 3.83Å; F883-L886 HydrophobicContact CB-CG 4.09Å; F883-L886 HydrophobicContact CG-CD1 4.34Å; F883-L886 WeakPolarHBondContact O-CB 3.13Å; F883-L886 PolarHBondContact O-N 2.7Å; F883-L909 HydrophobicContact CE2-CD1 4.32Å; F883-M912 HydrophobicContact CD2-CE 4.18Å; F883-M912 HydrophobicContact CE2-CB 4.06Å; F883-M912 HydrophobicContact CE2-CE 3.81Å; F883-M912 HydrophobicContact CZ-CB 3.98Å; F883-V913 HydrophobicContact CZ-CG2 4.25Å; F883-Y916 HydrophobicContact CD1-CD1 4.23Å; F883-Y916 AromaticContact CE1-CD1 3.77Å; F883-Y916 HydrophobicContact CE1-CD1 3.77Å; F883-Y916 HydrophobicContact CE1-CG 4.01Å; F883-Y917 HydrophobicContact CD1-CE2 4.48Å; F883-Y917 HydrophobicContact CE1-CD2 4.46Å; F883-Y917 AromaticContact CE1-CE2 3.84Å; F883-Y917 HydrophobicContact CE1-CE2 3.84Å; F883-Y917 HydrophobicContact CZ-CE2 4.4Å
884	S	89.5	Confident	90.2	Very high	62 Å²	62	61.4 Å²	61.4	43%	0.434	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-14.4	-176.8	60.1	0	0	0	0	115.6	N880	N880-S884 WeakPolarHBondContact O-CA 3.32Å; N880-S884 WeakPolarHBondContact O-CB 3.29Å; N880-S884 PolarHBondContact O-N 3.03Å
885	F	87.6	Confident	90.5	Very high	95 Å²	95	59.7 Å²	59.7	42%	0.417	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-9.6	175.6	59.8	-91.3	0	0	0	113.8	F883 Y916	F883-F885 HydrophobicContact CB-CE1 4.32Å; F883-F885 HydrophobicContact CB-CZ 4.36Å; F883-F885 HydrophobicContact CD1-CE1 4.22Å; F883-F885 AromaticContact CD1-CZ 3.89Å; F883-F885 HydrophobicContact CD1-CZ 3.89Å; F883-F885 PolarHBondContact O-N 3.1Å; F885-Y916 HydrophobicContact CE1-CE1 4.27Å; F885-Y916 HydrophobicContact CE2-CE1 4.19Å; F885-Y916 AromaticContact CE2-CZ 3.81Å; F885-Y916 WeakPolarHBondContact CE2-OH 3.44Å; F885-Y916 HydrophobicContact CZ-CD1 4.34Å; F885-Y916 AromaticContact CZ-CE1 3.44Å; F885-Y916 HydrophobicContact CZ-CE1 3.44Å; F885-Y916 VanDerWaalsContact CZ-CE1 3.44Å; F885-Y916 HydrophobicContact CZ-CE2 4.49Å; F885-Y916 AromaticContact CZ-CZ 3.55Å; F885-Y916 WeakPolarHBondContact CZ-OH 3.44Å
886	L	90.7	Very high	90.6	Very high	45 Å²	45	63.2 Å²	63.2	24%	0.236	33%	0.334	C	S	.	.	S	Bend	trans	-90.3	144.5	174.2	-64.5	-175.3	0	0	0	111.1	F883 Q890 Q891	F883-L886 HydrophobicContact CB-CB 4.49Å; F883-L886 HydrophobicContact CB-CD1 3.83Å; F883-L886 HydrophobicContact CB-CG 4.09Å; F883-L886 HydrophobicContact CG-CD1 4.34Å; F883-L886 WeakPolarHBondContact O-CB 3.13Å; F883-L886 PolarHBondContact O-N 2.7Å; L886-Q890 HydrophobicContact CB-CB 3.96Å; L886-Q890 HydrophobicContact CD1-CB 4.46Å; L886-Q890 HydrophobicContact CD2-CB 4.3Å; L886-Q890 HydrophobicContact CG-CB 4.47Å; L886-Q891 HydrophobicContact CB-CG 3.87Å; L886-Q891 PolarHBondContact O-NE2 3.23Å
887	T	93.4	Very high	90.9	Very high	75 Å²	75	64.2 Å²	64.2	46%	0.46	33%	0.333	S	S	.	.			trans	-67.4	156.6	171.8	70	0	0	0	0	111.5	E889 Q890 Q891	T887-E889 PolarHBondContact O-N 3.07Å; T887-E889 VanDerWaalsContact O-N 3.1Å; T887-Q890 WeakPolarHBondContact O-CA 3.11Å; T887-Q890 WeakPolarHBondContact O-CB 3.44Å; T887-Q890 PolarHBondContact O-N 3.31Å; T887-Q890 WeakPolarHBondContact OG1-CG 3.35Å; T887-Q890 PolarHBondContact OG1-N 3.47Å; T887-Q890 PolarHBondContact OG1-OE1 2.79Å; T887-Q891 WeakPolarHBondContact O-CG 3.39Å; T887-Q891 PolarHBondContact O-N 3.33Å
888	E	90.6	Very high	90.9	Very high	161 Å²	161	60.7 Å²	60.7	75%	0.752	32%	0.315	S	S	*	.	H	α-helix	trans	-53.8	-32.4	176.2	-62.4	-179.9	171.3	0	0	112.9	S892	E888-S892 VanDerWaalsContact O-CB 3.24Å; E888-S892 WeakPolarHBondContact O-CB 3.45Å; E888-S892 PolarHBondContact O-N 2.79Å; E888-S892 PolarHBondContact O-OG 3.16Å
889	E	93.2	Very high	90.7	Very high	146 Å²	146	67.2 Å²	67.2	68%	0.682	34%	0.343	S	S	*	.	H	α-helix	trans	-66.9	-47.6	173.4	-177	178.2	-165.3	0	0	111.7	T887 S892 L893	T887-E889 PolarHBondContact O-N 3.07Å; T887-E889 VanDerWaalsContact O-N 3.1Å; E889-S892 WeakPolarHBondContact O-CB 3.15Å; E889-S892 PolarHBondContact O-N 2.73Å; E889-L893 HydrophobicContact CG-CD1 4.31Å; E889-L893 WeakPolarHBondContact O-CG 3.22Å; E889-L893 PolarHBondContact O-N 3.06Å
890	Q	93.7	Very high	90.2	Very high	89 Å²	89	77.2 Å²	77.2	42%	0.416	38%	0.383	S	S	.	.	H	α-helix	trans	-64.1	-42.6	176.5	-71.4	170.9	-34.4	0	0	111.8	L886 T887 S892 L893 A894	L886-Q890 HydrophobicContact CB-CB 3.96Å; L886-Q890 HydrophobicContact CD1-CB 4.46Å; L886-Q890 HydrophobicContact CD2-CB 4.3Å; L886-Q890 HydrophobicContact CG-CB 4.47Å; T887-Q890 WeakPolarHBondContact O-CA 3.11Å; T887-Q890 WeakPolarHBondContact O-CB 3.44Å; T887-Q890 PolarHBondContact O-N 3.31Å; T887-Q890 WeakPolarHBondContact OG1-CG 3.35Å; T887-Q890 PolarHBondContact OG1-N 3.47Å; T887-Q890 PolarHBondContact OG1-OE1 2.79Å; Q890-S892 VanDerWaalsContact C-N 3.33Å; Q890-S892 PolarHBondContact O-N 2.7Å; Q890-L893 PolarHBondContact O-N 3.29Å; Q890-A894 WeakPolarHBondContact O-CB 3.29Å; Q890-A894 PolarHBondContact O-N 3Å
891	Q	91.8	Very high	89.7	Confident	9 Å²	9	79.3 Å²	79.3	4%	0.042	39%	0.388	C	S	.	.	H	α-helix	trans	-58.4	-45.4	172.7	-66.6	-177.3	25.4	0	0	110.8	V879 N880 L886 T887 A894 I895	V879-Q891 HydrophobicContact CG1-CB 3.7Å; V879-Q891 HydrophobicContact CG1-CG 3.78Å; N880-Q891 PolarHBondContact OD1-NE2 2.83Å; N880-Q891 VanDerWaalsContact OD1-NE2 3.14Å; L886-Q891 HydrophobicContact CB-CG 3.87Å; L886-Q891 PolarHBondContact O-NE2 3.23Å; T887-Q891 WeakPolarHBondContact O-CG 3.39Å; T887-Q891 PolarHBondContact O-N 3.33Å; Q891-A894 PolarHBondContact O-N 2.91Å; Q891-I895 VanDerWaalsContact O-CG1 3.31Å; Q891-I895 WeakPolarHBondContact O-CG1 3.44Å; Q891-I895 PolarHBondContact O-N 3.02Å
892	S	90.5	Very high	89.4	Confident	60 Å²	60	77.9 Å²	77.9	42%	0.42	38%	0.382	S	S	.	.	H	α-helix	trans	-64.8	-39.4	177.4	-63.4	0	0	0	0	113	E888 E889 Q890 N896	E888-S892 VanDerWaalsContact O-CB 3.24Å; E888-S892 WeakPolarHBondContact O-CB 3.45Å; E888-S892 PolarHBondContact O-N 2.79Å; E888-S892 PolarHBondContact O-OG 3.16Å; E889-S892 WeakPolarHBondContact O-CB 3.15Å; E889-S892 PolarHBondContact O-N 2.73Å; Q890-S892 VanDerWaalsContact C-N 3.33Å; Q890-S892 PolarHBondContact O-N 2.7Å; S892-N896 WeakPolarHBondContact O-CB 3.5Å; S892-N896 PolarHBondContact O-N 3.08Å; S892-N896 PolarHBondContact O-ND2 2.86Å
893	L	91.6	Very high	88.8	Confident	112 Å²	112	83.4 Å²	83.4	59%	0.586	42%	0.421	S	S	*	.	H	α-helix	trans	-64.5	-42.8	174.6	-73.4	168.3	0	0	0	111.3	E889 Q890 N896 H897	E889-L893 HydrophobicContact CG-CD1 4.31Å; E889-L893 WeakPolarHBondContact O-CG 3.22Å; E889-L893 PolarHBondContact O-N 3.06Å; Q890-L893 PolarHBondContact O-N 3.29Å; L893-N896 PolarHBondContact O-N 2.81Å; L893-H897 PolarHBondContact O-N 2.04Å
894	A	89.7	Confident	88.5	Confident	24 Å²	24	85.2 Å²	85.2	20%	0.198	43%	0.431	C	S	.	.	H	α-helix	trans	-62.8	-51	176.3	0	0	0	0	0	111.7	Q890 Q891 N896 H897 Y898 M912	Q890-A894 WeakPolarHBondContact O-CB 3.29Å; Q890-A894 PolarHBondContact O-N 3Å; Q891-A894 PolarHBondContact O-N 2.91Å; A894-N896 VanDerWaalsContact C-N 3.27Å; A894-N896 PolarHBondContact O-N 2.85Å; A894-H897 WeakPolarHBondContact O-CB 3.26Å; A894-H897 PolarHBondContact O-N 2.9Å; A894-Y898 WeakPolarHBondContact O-CD2 3.45Å; A894-Y898 PolarHBondContact O-N 2.65Å; A894-M912 HydrophobicContact CB-CE 3.83Å
895	I	89.9	Confident	88.4	Confident	26 Å²	26	82.5 Å²	82.5	13%	0.133	41%	0.412	C	S	.	.	H	α-helix	trans	-53.4	-46.2	175.9	-69	164	0	0	0	110.7	M875 V879 Q891 H897 K899	M875-I895 HydrophobicContact CE-CG1 4.1Å; M875-I895 HydrophobicContact CG-CD1 4.36Å; M875-I895 HydrophobicContact CG-CG1 4.25Å; M875-I895 HydrophobicContact CG-CG2 4.41Å; V879-I895 HydrophobicContact CB-CD1 4.21Å; V879-I895 HydrophobicContact CB-CG1 4.45Å; V879-I895 HydrophobicContact CG1-CD1 4.27Å; V879-I895 HydrophobicContact CG1-CG1 4.41Å; V879-I895 HydrophobicContact CG2-CD1 4.06Å; V879-I895 HydrophobicContact CG2-CG1 3.84Å; Q891-I895 VanDerWaalsContact O-CG1 3.31Å; Q891-I895 WeakPolarHBondContact O-CG1 3.44Å; Q891-I895 PolarHBondContact O-N 3.02Å; I895-H897 VanDerWaalsContact C-N 3.34Å; I895-H897 PolarHBondContact O-N 2.86Å; I895-K899 WeakPolarHBondContact O-CB 3.37Å; I895-K899 PolarHBondContact O-N 2.71Å; I895-K899 VanDerWaalsContact O-N 3.13Å
896	N	89.7	Confident	88.4	Confident	80 Å²	80	78.9 Å²	78.9	43%	0.428	40%	0.395	S	S	.	.	H	α-helix	trans	-65.6	-33	179.5	-77.2	-53.3	0	0	0	113.3	S892 L893 A894 Y900	S892-N896 WeakPolarHBondContact O-CB 3.5Å; S892-N896 PolarHBondContact O-N 3.08Å; S892-N896 PolarHBondContact O-ND2 2.86Å; L893-N896 PolarHBondContact O-N 2.81Å; A894-N896 VanDerWaalsContact C-N 3.27Å; A894-N896 PolarHBondContact O-N 2.85Å; N896-Y900 WeakPolarHBondContact O-CD2 3.21Å; N896-Y900 WeakPolarHBondContact O-CE2 2.97Å
897	H	90.5	Very high	88.3	Confident	109 Å²	109	80.9 Å²	80.9	51%	0.505	40%	0.402	S	S	.	.	H	α-helix	trans	-63.7	-54.7	176.2	179.9	95	0	0	0	111.9	L893 A894 I895 K899 Y900	L893-H897 PolarHBondContact O-N 2.04Å; A894-H897 WeakPolarHBondContact O-CB 3.26Å; A894-H897 PolarHBondContact O-N 2.9Å; I895-H897 VanDerWaalsContact C-N 3.34Å; I895-H897 PolarHBondContact O-N 2.86Å; H897-K899 VanDerWaalsContact C-N 3.33Å; H897-K899 PolarHBondContact O-N 2.93Å; H897-Y900 PolarHBondContact O-N 3.31Å
898	Y	89.8	Confident	88.2	Confident	32 Å²	32	77.8 Å²	77.8	13%	0.125	38%	0.383	C	S	.	.	H	α-helix	trans	-75.9	-21.7	-173.4	-67.9	-103.4	0	0	0	113.1	A894 Y900 K901 T902 M912 D915	A894-Y898 WeakPolarHBondContact O-CD2 3.45Å; A894-Y898 PolarHBondContact O-N 2.65Å; Y898-Y900 PolarHBondContact O-N 2.54Å; Y898-K901 HydrophobicContact CD1-CD 4.04Å; Y898-K901 WeakPolarHBondContact O-CA 3.48Å; Y898-K901 WeakPolarHBondContact O-CB 3.32Å; Y898-K901 PolarHBondContact O-N 2.95Å; Y898-T902 PolarHBondContact O-N 2.72Å; Y898-M912 HydrophobicContact CD1-CG 3.87Å; Y898-M912 HydrophobicContact CD2-CG 3.36Å; Y898-M912 HydrophobicContact CD2-SD 4.07Å; Y898-M912 HydrophobicContact CE1-CG 4Å; Y898-M912 HydrophobicContact CE2-CG 3.55Å; Y898-M912 HydrophobicContact CG-CG 3.55Å; Y898-M912 HydrophobicContact CG-SD 4.33Å; Y898-D915 HydrophobicContact CE1-CB 4.43Å; Y898-D915 VanDerWaalsContact CE1-OD2 3.26Å; Y898-D915 WeakPolarHBondContact CE1-OD2 3.26Å; Y898-D915 VanDerWaalsContact OH-CB 3.23Å; Y898-D915 WeakPolarHBondContact OH-CB 3.37Å; Y898-D915 PolarHBondContact OH-OD2 3.17Å
899	K	86.3	Confident	88.3	Confident	136 Å²	136	70.1 Å²	70.1	59%	0.591	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.2	172.5	-175.6	174.1	179.4	178.8	0	114.1	I895 H897 M908	I895-K899 WeakPolarHBondContact O-CB 3.37Å; I895-K899 PolarHBondContact O-N 2.71Å; I895-K899 VanDerWaalsContact O-N 3.13Å; H897-K899 VanDerWaalsContact C-N 3.33Å; H897-K899 PolarHBondContact O-N 2.93Å; K899-M908 HydrophobicContact CB-SD 4.04Å
900	Y	80.3	Confident	88.3	Confident	210 Å²	210	63.5 Å²	63.5	82%	0.824	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-21.7	168.9	-65.9	-73.3	0	0	0	113.4	N896 H897 Y898	N896-Y900 WeakPolarHBondContact O-CD2 3.21Å; N896-Y900 WeakPolarHBondContact O-CE2 2.97Å; H897-Y900 PolarHBondContact O-N 3.31Å; Y898-Y900 PolarHBondContact O-N 2.54Å
901	K	80.6	Confident	88.3	Confident	122 Å²	122	60.7 Å²	60.7	53%	0.53	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-37.8	177	-62.1	-178.5	-178.8	175.8	0	112.1	Y898 D915	Y898-K901 HydrophobicContact CD1-CD 4.04Å; Y898-K901 WeakPolarHBondContact O-CA 3.48Å; Y898-K901 WeakPolarHBondContact O-CB 3.32Å; Y898-K901 PolarHBondContact O-N 2.95Å; K901-D915 IonicContact NZ-OD2 3.42Å; K901-D915 PolarHBondContact NZ-OD2 2.57Å; K901-D915 VanDerWaalsContact NZ-OD2 3.13Å
902	T	82.6	Confident	88.5	Confident	35 Å²	35	60.6 Å²	60.6	22%	0.215	31%	0.306	C	S	.	.			trans	-156.8	155.9	-175.2	-175.4	0	0	0	0	113.3	Y898 D904 K907 M908	Y898-T902 PolarHBondContact O-N 2.72Å; T902-D904 PolarHBondContact OG1-N 3.03Å; T902-D904 VanDerWaalsContact OG1-N 3.11Å; T902-K907 HydrophobicContact CG2-CB 4.35Å; T902-M908 HydrophobicContact CG2-CB 3.83Å
903	S	81.1	Confident	88.7	Confident	117 Å²	117	57.7 Å²	57.7	82%	0.818	29%	0.286	S	S	*	.	S	Bend	trans	-98.3	-12.4	168.7	54.8	0	0	0	0	114.1	V905	S903-V905 PolarHBondContact O-N 3.02Å
904	D	86.2	Confident	88.9	Confident	44 Å²	44	52.5 Å²	52.5	24%	0.235	26%	0.26	C	S	.	.			trans	-73.9	113	170.7	-179.7	-3.4	0	0	0	109.1	T902 R906 K907 M908	T902-D904 PolarHBondContact OG1-N 3.03Å; T902-D904 VanDerWaalsContact OG1-N 3.11Å; D904-R906 VanDerWaalsContact C-N 3.26Å; D904-R906 PolarHBondContact O-N 3.15Å; D904-R906 VanDerWaalsContact OD1-CB 3.3Å; D904-R906 WeakPolarHBondContact OD1-CB 3.5Å; D904-R906 PolarHBondContact OD1-N 3.14Å; D904-R906 IonicContact OD2-CZ 2.76Å; D904-R906 IonicContact OD2-NE 2.73Å; D904-R906 IonicContact OD2-NH2 3.54Å; D904-R906 PolarHBondContact OD2-NH2 2.91Å; D904-K907 HydrophobicContact CB-CB 4.16Å; D904-K907 PolarHBondContact O-N 2.88Å; D904-M908 VanDerWaalsContact O-CB 3.32Å; D904-M908 WeakPolarHBondContact O-CB 3.3Å; D904-M908 PolarHBondContact O-N 3.06Å
905	V	86.7	Confident	89.2	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.03	26%	0.259	C	S	.	.	H	α-helix	trans	-60.3	-35.2	179.2	-176.4	0	0	0	0	111.9	A870 P872 M875 S903 M908 L909	A870-V905 HydrophobicContact CB-CB 4.22Å; A870-V905 HydrophobicContact CB-CG1 3.79Å; A870-V905 VanDerWaalsContact O-CB 3.3Å; A870-V905 WeakPolarHBondContact O-CB 3.34Å; A870-V905 WeakPolarHBondContact O-CG2 3.38Å; P872-V905 HydrophobicContact CG-CG2 4.17Å; M875-V905 HydrophobicContact CB-CG1 3.89Å; M875-V905 HydrophobicContact CG-CG1 4.17Å; M875-V905 HydrophobicContact SD-CG1 3.56Å; M875-V905 VanDerWaalsContact SD-CG1 3.56Å; S903-V905 PolarHBondContact O-N 3.02Å; V905-M908 HydrophobicContact CB-CE 4.43Å; V905-M908 HydrophobicContact CG1-CE 4.4Å; V905-M908 HydrophobicContact CG2-CE 4.3Å; V905-M908 PolarHBondContact O-N 2.99Å; V905-L909 WeakPolarHBondContact O-CB 3.45Å; V905-L909 PolarHBondContact O-N 2.69Å
906	R	87.9	Confident	89.4	Confident	20 Å²	20	56.1 Å²	56.1	8%	0.075	27%	0.27	C	S	.	.	H	α-helix	trans	-69.1	-46.4	177.5	179.7	-175.8	60.4	-144.1	-14.6	110.7	L854 F862 E867 Q868 D904 M908 L909 S910 W953	L854-R906 HydrophobicContact CD1-CG 4.15Å; F862-R906 HydrophobicContact CD1-CG 4.04Å; F862-R906 HydrophobicContact CE1-CB 3.87Å; F862-R906 HydrophobicContact CE1-CG 3.68Å; F862-R906 HydrophobicContact CZ-CG 4.45Å; E867-R906 VanDerWaalsContact C-NH1 3.32Å; E867-R906 PolarHBondContact O-NH1 3.18Å; Q868-R906 PolarHBondContact O-NH1 3.19Å; Q868-R906 VanDerWaalsContact O-NH1 3.15Å; D904-R906 VanDerWaalsContact C-N 3.26Å; D904-R906 PolarHBondContact O-N 3.15Å; D904-R906 VanDerWaalsContact OD1-CB 3.3Å; D904-R906 WeakPolarHBondContact OD1-CB 3.5Å; D904-R906 PolarHBondContact OD1-N 3.14Å; D904-R906 IonicContact OD2-CZ 2.76Å; D904-R906 IonicContact OD2-NE 2.73Å; D904-R906 IonicContact OD2-NH2 3.54Å; D904-R906 PolarHBondContact OD2-NH2 2.91Å; R906-M908 VanDerWaalsContact C-N 3.33Å; R906-L909 PolarHBondContact O-N 3.3Å; R906-S910 VanDerWaalsContact O-CB 3.22Å; R906-S910 WeakPolarHBondContact O-CB 3.38Å; R906-S910 PolarHBondContact O-N 3.25Å; R906-W953 HydrophobicContact CG-CD2 4.42Å; R906-W953 HydrophobicContact CG-CE3 3.94Å; R906-W953 HydrophobicContact CG-CH2 4.06Å; R906-W953 HydrophobicContact CG-CZ2 4.49Å; R906-W953 HydrophobicContact CG-CZ3 3.75Å
907	K	88.8	Confident	89.7	Confident	86 Å²	86	52.6 Å²	52.6	37%	0.374	25%	0.25	S	S	.	.	H	α-helix	trans	-66.6	-36.4	174.4	-168.9	167.7	-179.7	88	0	111.5	D848 T902 D904 S910 S911	D848-K907 IonicContact OD1-NZ 3.52Å; D848-K907 PolarHBondContact OD1-NZ 2.98Å; T902-K907 HydrophobicContact CG2-CB 4.35Å; D904-K907 HydrophobicContact CB-CB 4.16Å; D904-K907 PolarHBondContact O-N 2.88Å; K907-S910 PolarHBondContact O-N 3.08Å; K907-S911 PolarHBondContact O-N 3.22Å; K907-S911 PolarHBondContact O-OG 3.45Å
908	M	91.5	Very high	90	Very high	11 Å²	11	47.4 Å²	47.4	5%	0.054	23%	0.226	C	C	.	.	H	α-helix	trans	-58.3	-51.2	174.5	-177.5	164.9	45.3	0	0	111.5	M875 K899 T902 D904 V905 R906 S911 M912	M875-M908 HydrophobicContact CE-CB 4.4Å; M875-M908 HydrophobicContact CE-CE 3.73Å; M875-M908 HydrophobicContact CE-CG 3.66Å; M875-M908 HydrophobicContact CE-SD 3.92Å; M875-M908 HydrophobicContact CG-CE 4Å; M875-M908 HydrophobicContact SD-CE 3.93Å; K899-M908 HydrophobicContact CB-SD 4.04Å; T902-M908 HydrophobicContact CG2-CB 3.83Å; D904-M908 VanDerWaalsContact O-CB 3.32Å; D904-M908 WeakPolarHBondContact O-CB 3.3Å; D904-M908 PolarHBondContact O-N 3.06Å; V905-M908 HydrophobicContact CB-CE 4.43Å; V905-M908 HydrophobicContact CG1-CE 4.4Å; V905-M908 HydrophobicContact CG2-CE 4.3Å; V905-M908 PolarHBondContact O-N 2.99Å; R906-M908 VanDerWaalsContact C-N 3.33Å; M908-S911 PolarHBondContact O-N 3.35Å; M908-M912 HydrophobicContact CG-SD 4.33Å; M908-M912 WeakPolarHBondContact O-CG 3.46Å; M908-M912 PolarHBondContact O-N 3.23Å
909	L	92.4	Very high	90.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66.6	-40	176.9	-173	68.6	0	0	0	112.1	L854 L858 F862 L878 V879 F883 V905 R906 S911 M912 V913	L854-L909 HydrophobicContact CD2-CD2 3.78Å; L854-L909 HydrophobicContact CD2-CG 3.95Å; L858-L909 HydrophobicContact CD1-CD2 4.08Å; F862-L909 HydrophobicContact CE2-CD2 3.85Å; F862-L909 HydrophobicContact CZ-CD2 4.06Å; L878-L909 HydrophobicContact CB-CD2 3.99Å; L878-L909 HydrophobicContact CD1-CD2 4.29Å; L878-L909 HydrophobicContact CD2-CD2 3.97Å; L878-L909 HydrophobicContact CG-CD2 4.32Å; V879-L909 HydrophobicContact CG2-CD1 4.26Å; F883-L909 HydrophobicContact CE2-CD1 4.32Å; V905-L909 WeakPolarHBondContact O-CB 3.45Å; V905-L909 PolarHBondContact O-N 2.69Å; R906-L909 PolarHBondContact O-N 3.3Å; L909-S911 PolarHBondContact O-N 3.46Å; L909-M912 WeakPolarHBondContact O-CB 3.43Å; L909-M912 PolarHBondContact O-N 3.26Å; L909-V913 WeakPolarHBondContact O-CG2 3.3Å; L909-V913 PolarHBondContact O-N 3.18Å
910	S	93	Very high	90.7	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-59.2	-44.6	175.8	-170.9	0	0	0	0	111.8	G850 S851 R906 K907 V913 G914	G850-S910 WeakPolarHBondContact CA-O 3.46Å; S851-S910 VanDerWaalsContact CA-OG 3.27Å; S851-S910 WeakPolarHBondContact CA-OG 3.27Å; S851-S910 PolarHBondContact N-OG 2.83Å; S851-S910 VanDerWaalsContact N-OG 3.14Å; R906-S910 VanDerWaalsContact O-CB 3.22Å; R906-S910 WeakPolarHBondContact O-CB 3.38Å; R906-S910 PolarHBondContact O-N 3.25Å; K907-S910 PolarHBondContact O-N 3.08Å; S910-V913 PolarHBondContact O-N 3.3Å; S910-G914 PolarHBondContact O-N 3.4Å
911	S	94	Very high	91.3	Very high	31 Å²	31	33.2 Å²	33.2	22%	0.217	18%	0.18	C	C	.	.	H	α-helix	trans	-66.9	-39.4	173.8	-65.3	0	0	0	0	112.1	K907 M908 L909 V913 G914 D915	K907-S911 PolarHBondContact O-N 3.22Å; K907-S911 PolarHBondContact O-OG 3.45Å; M908-S911 PolarHBondContact O-N 3.35Å; L909-S911 PolarHBondContact O-N 3.46Å; S911-V913 VanDerWaalsContact C-N 3.34Å; S911-V913 PolarHBondContact O-N 2.89Å; S911-G914 PolarHBondContact O-N 3.07Å; S911-D915 VanDerWaalsContact O-CB 3.22Å; S911-D915 WeakPolarHBondContact O-CB 3.33Å; S911-D915 VanDerWaalsContact O-CG 3.29Å; S911-D915 PolarHBondContact O-N 3.37Å
912	M	94.9	Very high	91.9	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.03	15%	0.154	C	C	.	.	H	α-helix	trans	-61.1	-41.3	175.2	-74.1	173.2	61.4	0	0	112.5	M875 V879 F883 A894 Y898 M908 L909 Y916	M875-M912 HydrophobicContact CE-CE 4.4Å; M875-M912 HydrophobicContact CE-SD 3.5Å; M875-M912 WeakPolarHBondContact CE-SD 3.45Å; V879-M912 HydrophobicContact CG1-CE 4.28Å; V879-M912 HydrophobicContact CG2-CE 3.68Å; V879-M912 HydrophobicContact CG2-SD 4.37Å; F883-M912 HydrophobicContact CD2-CE 4.18Å; F883-M912 HydrophobicContact CE2-CB 4.06Å; F883-M912 HydrophobicContact CE2-CE 3.81Å; F883-M912 HydrophobicContact CZ-CB 3.98Å; A894-M912 HydrophobicContact CB-CE 3.83Å; Y898-M912 HydrophobicContact CD1-CG 3.87Å; Y898-M912 HydrophobicContact CD2-CG 3.36Å; Y898-M912 HydrophobicContact CD2-SD 4.07Å; Y898-M912 HydrophobicContact CE1-CG 4Å; Y898-M912 HydrophobicContact CE2-CG 3.55Å; Y898-M912 HydrophobicContact CG-CG 3.55Å; Y898-M912 HydrophobicContact CG-SD 4.33Å; M908-M912 HydrophobicContact CG-SD 4.33Å; M908-M912 WeakPolarHBondContact O-CG 3.46Å; M908-M912 PolarHBondContact O-N 3.23Å; L909-M912 WeakPolarHBondContact O-CB 3.43Å; L909-M912 PolarHBondContact O-N 3.26Å; M912-Y916 VanDerWaalsContact O-CB 3.29Å; M912-Y916 WeakPolarHBondContact O-CB 3.31Å; M912-Y916 PolarHBondContact O-N 2.9Å
913	V	95.1	Very high	92.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.8	-48.2	176.5	170.6	0	0	0	0	111	F808 L809 W853 L854 T882 F883 L909 S910 S911 Y917	F808-V913 HydrophobicContact CE1-CG1 3.7Å; F808-V913 HydrophobicContact CE1-CG2 3.93Å; F808-V913 HydrophobicContact CZ-CG1 3.93Å; F808-V913 HydrophobicContact CZ-CG2 3.91Å; L809-V913 HydrophobicContact CD1-CG1 4.49Å; W853-V913 HydrophobicContact CB-CG1 4.18Å; L854-V913 HydrophobicContact CD2-CG2 4.15Å; T882-V913 HydrophobicContact CG2-CG2 3.66Å; F883-V913 HydrophobicContact CZ-CG2 4.25Å; L909-V913 WeakPolarHBondContact O-CG2 3.3Å; L909-V913 PolarHBondContact O-N 3.18Å; S910-V913 PolarHBondContact O-N 3.3Å; S911-V913 VanDerWaalsContact C-N 3.34Å; S911-V913 PolarHBondContact O-N 2.89Å; V913-Y917 HydrophobicContact CG1-CD2 3.99Å; V913-Y917 WeakPolarHBondContact O-CB 3.32Å; V913-Y917 WeakPolarHBondContact O-CD2 3.46Å; V913-Y917 PolarHBondContact O-N 3.28Å
914	G	96.1	Very high	93	Very high	3 Å²	3	27.6 Å²	27.6	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-60	-53	179.6	0	0	0	0	0	112	S910 S911 Y916 F918 T919	S910-G914 PolarHBondContact O-N 3.4Å; S911-G914 PolarHBondContact O-N 3.07Å; G914-Y916 PolarHBondContact O-N 3.15Å; G914-F918 CarbonylContact O-C 3.55Å; G914-F918 WeakPolarHBondContact O-CA 3.11Å; G914-F918 PolarHBondContact O-N 3.37Å; G914-T919 PolarHBondContact O-N 3.38Å; G914-T919 PolarHBondContact O-OG1 3.11Å
915	D	95.5	Very high	93.2	Very high	32 Å²	32	25.7 Å²	25.7	17%	0.171	13%	0.134	C	C	.	.	I	π-helix	trans	-60.2	-45.9	-178.1	-71.3	-5.5	0	0	0	111.1	Y898 K901 S911 C920	Y898-D915 HydrophobicContact CE1-CB 4.43Å; Y898-D915 VanDerWaalsContact CE1-OD2 3.26Å; Y898-D915 WeakPolarHBondContact CE1-OD2 3.26Å; Y898-D915 VanDerWaalsContact OH-CB 3.23Å; Y898-D915 WeakPolarHBondContact OH-CB 3.37Å; Y898-D915 PolarHBondContact OH-OD2 3.17Å; K901-D915 IonicContact NZ-OD2 3.42Å; K901-D915 PolarHBondContact NZ-OD2 2.57Å; K901-D915 VanDerWaalsContact NZ-OD2 3.13Å; S911-D915 VanDerWaalsContact O-CB 3.22Å; S911-D915 WeakPolarHBondContact O-CB 3.33Å; S911-D915 VanDerWaalsContact O-CG 3.29Å; S911-D915 PolarHBondContact O-N 3.37Å; D915-C920 WeakPolarHBondContact O-CB 3.45Å; D915-C920 PolarHBondContact O-N 3.47Å; D915-C920 PolarHBondContact O-SG 2.88Å; D915-C920 VanDerWaalsContact O-SG 3.34Å
916	Y	94.8	Very high	93.4	Very high	93 Å²	93	25.7 Å²	25.7	37%	0.365	14%	0.135	S	C	.	.	I	π-helix	trans	-75.7	-43.4	-177.4	-177.7	-103.8	0	0	0	114.8	P755 F883 F885 M912 G914	P755-Y916 HydrophobicContact CB-CE1 4.1Å; P755-Y916 HydrophobicContact CG-CD1 4.27Å; P755-Y916 HydrophobicContact CG-CE1 3.53Å; P755-Y916 HydrophobicContact CG-CE2 4.38Å; F883-Y916 HydrophobicContact CD1-CD1 4.23Å; F883-Y916 AromaticContact CE1-CD1 3.77Å; F883-Y916 HydrophobicContact CE1-CD1 3.77Å; F883-Y916 HydrophobicContact CE1-CG 4.01Å; F885-Y916 HydrophobicContact CE1-CE1 4.27Å; F885-Y916 HydrophobicContact CE2-CE1 4.19Å; F885-Y916 AromaticContact CE2-CZ 3.81Å; F885-Y916 WeakPolarHBondContact CE2-OH 3.44Å; F885-Y916 HydrophobicContact CZ-CD1 4.34Å; F885-Y916 AromaticContact CZ-CE1 3.44Å; F885-Y916 HydrophobicContact CZ-CE1 3.44Å; F885-Y916 VanDerWaalsContact CZ-CE1 3.44Å; F885-Y916 HydrophobicContact CZ-CE2 4.49Å; F885-Y916 AromaticContact CZ-CZ 3.55Å; F885-Y916 WeakPolarHBondContact CZ-OH 3.44Å; M912-Y916 VanDerWaalsContact O-CB 3.29Å; M912-Y916 WeakPolarHBondContact O-CB 3.31Å; M912-Y916 PolarHBondContact O-N 2.9Å; G914-Y916 PolarHBondContact O-N 3.15Å
917	Y	95.7	Very high	93.5	Very high	6 Å²	6	30 Å²	30	2%	0.024	16%	0.159	C	C	.	.	I	π-helix	trans	-92.6	-10.3	-173.7	-69.7	-79.6	0	0	0	114	L754 P755 W756 F808 L809 T882 F883 V913	L754-Y917 WeakPolarHBondContact CD2-O 3.21Å; P755-Y917 HydrophobicContact CB-CD1 4.34Å; P755-Y917 HydrophobicContact CB-CE1 4.41Å; P755-Y917 HydrophobicContact CG-CD1 4.45Å; W756-Y917 PolarHBondContact NE1-O 2.89Å; F808-Y917 HydrophobicContact CD1-CD2 4.49Å; F808-Y917 AromaticContact CD1-CE2 3.71Å; F808-Y917 HydrophobicContact CD1-CE2 3.71Å; F808-Y917 AromaticContact CD1-CZ 3.86Å; F808-Y917 HydrophobicContact CE1-CD2 4.32Å; F808-Y917 AromaticContact CE1-CE2 3.93Å; F808-Y917 HydrophobicContact CE1-CE2 3.93Å; F808-Y917 PolarHBondContact O-OH 3.14Å; F808-Y917 VanDerWaalsContact O-OH 3.11Å; L809-Y917 HydrophobicContact CB-CD1 4.07Å; L809-Y917 HydrophobicContact CB-CE1 3.83Å; L809-Y917 HydrophobicContact CD1-CD1 3.96Å; L809-Y917 HydrophobicContact CD1-CD2 3.93Å; L809-Y917 HydrophobicContact CD1-CE1 4.39Å; L809-Y917 HydrophobicContact CD1-CE2 4.39Å; L809-Y917 HydrophobicContact CD1-CG 3.67Å; T882-Y917 HydrophobicContact CG2-CE2 4.36Å; T882-Y917 PolarHBondContact O-OH 2.96Å; F883-Y917 HydrophobicContact CD1-CE2 4.48Å; F883-Y917 HydrophobicContact CE1-CD2 4.46Å; F883-Y917 AromaticContact CE1-CE2 3.84Å; F883-Y917 HydrophobicContact CE1-CE2 3.84Å; F883-Y917 HydrophobicContact CZ-CE2 4.4Å; V913-Y917 HydrophobicContact CG1-CD2 3.99Å; V913-Y917 WeakPolarHBondContact O-CB 3.32Å; V913-Y917 WeakPolarHBondContact O-CD2 3.46Å; V913-Y917 PolarHBondContact O-N 3.28Å
918	F	96.7	Very high	93.4	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	16%	0.155	C	C	.	.	I	π-helix	trans	-141.7	-67.8	-177.5	-58.2	-82.6	0	0	0	113.2	S749 L754 W756 L809 E849 W853 G914 C920 G921 V922 H958	S749-F918 WeakPolarHBondContact O-CD1 3.3Å; L754-F918 HydrophobicContact CD1-CD1 4.45Å; W756-F918 AromaticContact CE2-CE1 3.71Å; W756-F918 HydrophobicContact CZ2-CD1 4.19Å; W756-F918 AromaticContact CZ2-CE1 3.69Å; W756-F918 HydrophobicContact CZ2-CE1 3.69Å; W756-F918 AromaticContact NE1-CD1 3.93Å; W756-F918 AromaticContact NE1-CE1 3.39Å; W756-F918 AromaticContact NE1-CZ 3.61Å; L809-F918 HydrophobicContact CD1-CE2 3.89Å; L809-F918 HydrophobicContact CD1-CZ 4.18Å; E849-F918 HydrophobicContact CB-CB 4.05Å; E849-F918 HydrophobicContact CB-CD2 4.19Å; E849-F918 HydrophobicContact CB-CG 4.29Å; E849-F918 HydrophobicContact CG-CB 3.78Å; E849-F918 HydrophobicContact CG-CG 4.37Å; W853-F918 AromaticContact CD1-CE2 3.65Å; W853-F918 AromaticContact CE2-CE2 3.93Å; W853-F918 AromaticContact CE2-CZ 3.64Å; W853-F918 HydrophobicContact CZ2-CE1 4.49Å; W853-F918 HydrophobicContact CZ2-CE2 4.47Å; W853-F918 AromaticContact CZ2-CZ 3.74Å; W853-F918 HydrophobicContact CZ2-CZ 3.74Å; W853-F918 AromaticContact NE1-CE2 3.13Å; W853-F918 AromaticContact NE1-CZ 3.27Å; W853-F918 VanDerWaalsContact NE1-CZ 3.27Å; G914-F918 CarbonylContact O-C 3.55Å; G914-F918 WeakPolarHBondContact O-CA 3.11Å; G914-F918 PolarHBondContact O-N 3.37Å; F918-C920 PolarHBondContact O-N 3.25Å; F918-G921 PolarHBondContact O-N 3.02Å; F918-V922 WeakPolarHBondContact O-CG2 3.45Å; F918-V922 PolarHBondContact O-N 3.31Å; F918-H958 AromaticContact CD1-CE1 3.55Å; F918-H958 AromaticContact CD1-ND1 3.93Å; F918-H958 AromaticContact CE1-CE1 3.25Å; F918-H958 WeakPolarHBondContact CE1-CE1 3.48Å; F918-H958 AromaticContact CE1-ND1 3.87Å; F918-H958 AromaticContact CE1-NE2 3.71Å; F918-H958 AromaticContact CZ-CE1 3.99Å
919	T	96.7	Very high	93.2	Very high	14 Å²	14	27.5 Å²	27.5	9%	0.086	15%	0.154	C	C	.	.	I	π-helix	trans	-58.9	-50.6	-164.7	-39.9	0	0	0	0	113	Y845 G914 V922 L923	Y845-T919 HydrophobicContact CD1-CG2 3.99Å; Y845-T919 HydrophobicContact CD2-CG2 3.71Å; Y845-T919 HydrophobicContact CE1-CG2 3.95Å; Y845-T919 HydrophobicContact CE2-CG2 3.67Å; Y845-T919 HydrophobicContact CG-CG2 3.87Å; G914-T919 PolarHBondContact O-N 3.38Å; G914-T919 PolarHBondContact O-OG1 3.11Å; T919-V922 PolarHBondContact O-N 3.37Å; T919-L923 HydrophobicContact CG2-CD1 4.09Å; T919-L923 WeakPolarHBondContact O-CG 3.23Å; T919-L923 PolarHBondContact O-N 3.25Å
920	C	94.7	Very high	92.9	Very high	59 Å²	59	29.8 Å²	29.8	40%	0.399	17%	0.172	S	C	.	.	H	α-helix	trans	-66.4	-41.7	-175.3	-70.2	0	0	0	0	112.1	D915 F918 V922 L923 D924	D915-C920 WeakPolarHBondContact O-CB 3.45Å; D915-C920 PolarHBondContact O-N 3.47Å; D915-C920 PolarHBondContact O-SG 2.88Å; D915-C920 VanDerWaalsContact O-SG 3.34Å; F918-C920 PolarHBondContact O-N 3.25Å; C920-V922 VanDerWaalsContact C-N 3.32Å; C920-V922 PolarHBondContact O-N 2.88Å; C920-L923 PolarHBondContact O-N 3.05Å; C920-L923 VanDerWaalsContact O-N 3.16Å; C920-D924 WeakPolarHBondContact O-CB 3.48Å; C920-D924 VanDerWaalsContact O-CG 3.24Å; C920-D924 PolarHBondContact O-N 3.24Å
921	G	91.9	Very high	92.5	Very high	7 Å²	7	35.6 Å²	35.6	7%	0.072	20%	0.203	C	C	.	.	H	α-helix	trans	-69.3	-28.1	179.2	0	0	0	0	0	113.9	N753 F918 L925	N753-G921 PolarHBondContact ND2-O 3.47Å; N753-G921 PolarHBondContact OD1-O 3.37Å; F918-G921 PolarHBondContact O-N 3.02Å; G921-L925 WeakPolarHBondContact O-CB 3.22Å; G921-L925 PolarHBondContact O-N 3.08Å; G921-L925 VanDerWaalsContact O-N 3.08Å
922	V	94.2	Very high	91.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-72.4	-35.9	170.9	173.3	0	0	0	0	111.4	L843 Y845 F918 T919 C920 L925 A926	L843-V922 HydrophobicContact CD1-CG1 3.83Å; Y845-V922 HydrophobicContact CD1-CG1 4.25Å; F918-V922 WeakPolarHBondContact O-CG2 3.45Å; F918-V922 PolarHBondContact O-N 3.31Å; T919-V922 PolarHBondContact O-N 3.37Å; C920-V922 VanDerWaalsContact C-N 3.32Å; C920-V922 PolarHBondContact O-N 2.88Å; V922-L925 PolarHBondContact O-N 2.92Å; V922-A926 PolarHBondContact O-N 3.35Å
923	L	94.6	Very high	91	Very high	56 Å²	56	44.9 Å²	44.9	29%	0.293	25%	0.248	S	C	.	.	H	α-helix	trans	-68.9	-44.2	172.4	-72.5	170.7	0	0	0	112.1	Y845 T919 C920 L925 A926 D927 L938	Y845-L923 HydrophobicContact CE1-CD1 4.47Å; Y845-L923 HydrophobicContact CE1-CD2 3.87Å; Y845-L923 HydrophobicContact CE1-CG 4.06Å; T919-L923 HydrophobicContact CG2-CD1 4.09Å; T919-L923 WeakPolarHBondContact O-CG 3.23Å; T919-L923 PolarHBondContact O-N 3.25Å; C920-L923 PolarHBondContact O-N 3.05Å; C920-L923 VanDerWaalsContact O-N 3.16Å; L923-L925 PolarHBondContact O-N 2.88Å; L923-A926 WeakPolarHBondContact O-CA 3.03Å; L923-A926 VanDerWaalsContact O-CB 3.26Å; L923-A926 WeakPolarHBondContact O-CB 3.06Å; L923-A926 PolarHBondContact O-N 3.5Å; L923-D927 PolarHBondContact O-N 2.79Å; L923-L938 HydrophobicContact CD2-CD2 3.92Å
924	D	91.3	Very high	90.3	Very high	99 Å²	99	45.4 Å²	45.4	53%	0.529	25%	0.25	S	S	.	.	H	α-helix	trans	-57.6	-38.5	173.6	-69.6	-20.6	0	0	0	111.2	C920 S928	C920-D924 WeakPolarHBondContact O-CB 3.48Å; C920-D924 VanDerWaalsContact O-CG 3.24Å; C920-D924 PolarHBondContact O-N 3.24Å; D924-S928 WeakPolarHBondContact O-CB 3.16Å; D924-S928 PolarHBondContact O-N 2.87Å
925	L	89.9	Confident	89.7	Confident	4 Å²	4	49 Å²	49	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-66	-41.1	172.3	176	61.1	0	0	0	111.8	M730 V747 G921 V922 L923 L929	M730-L925 HydrophobicContact CE-CD1 3.75Å; M730-L925 HydrophobicContact CG-CD1 4.29Å; M730-L925 HydrophobicContact CG-CD2 4.47Å; M730-L925 HydrophobicContact SD-CD1 3.79Å; M730-L925 HydrophobicContact SD-CD2 3.97Å; M730-L925 HydrophobicContact SD-CG 4.44Å; V747-L925 HydrophobicContact CG1-CD2 4.05Å; G921-L925 WeakPolarHBondContact O-CB 3.22Å; G921-L925 PolarHBondContact O-N 3.08Å; G921-L925 VanDerWaalsContact O-N 3.08Å; V922-L925 PolarHBondContact O-N 2.92Å; L923-L925 PolarHBondContact O-N 2.88Å; L925-L929 HydrophobicContact CD1-CD1 3.83Å; L925-L929 HydrophobicContact CD1-CD2 4.48Å; L925-L929 HydrophobicContact CD1-CG 3.92Å; L925-L929 HydrophobicContact CG-CD1 3.95Å; L925-L929 HydrophobicContact CG-CG 4.44Å; L925-L929 WeakPolarHBondContact O-CB 2.72Å; L925-L929 WeakPolarHBondContact O-CG 3.24Å; L925-L929 PolarHBondContact O-N 3.13Å
926	A	91.9	Very high	89.2	Confident	6 Å²	6	49.2 Å²	49.2	5%	0.05	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-49.1	178	0	0	0	0	0	111.9	L843 V922 L923 L929 A930 V936	L843-A926 HydrophobicContact CD1-CB 3.73Å; L843-A926 HydrophobicContact CD2-CB 4.35Å; V922-A926 PolarHBondContact O-N 3.35Å; L923-A926 WeakPolarHBondContact O-CA 3.03Å; L923-A926 VanDerWaalsContact O-CB 3.26Å; L923-A926 WeakPolarHBondContact O-CB 3.06Å; L923-A926 PolarHBondContact O-N 3.5Å; A926-L929 PolarHBondContact O-N 3.23Å; A926-A930 WeakPolarHBondContact O-CB 3.11Å; A926-A930 PolarHBondContact O-N 2.8Å; A926-V936 HydrophobicContact CB-CG1 4.38Å
927	D	90.3	Very high	89.1	Confident	109 Å²	109	49 Å²	49	58%	0.583	27%	0.27	S	S	*	.	H	α-helix	trans	-69.2	-42.8	179.7	-73.6	-15.5	0	0	0	111.1	L923 L929 A930 D931	L923-D927 PolarHBondContact O-N 2.79Å; D927-L929 VanDerWaalsContact C-N 3.34Å; D927-L929 PolarHBondContact O-N 3.39Å; D927-A930 PolarHBondContact O-N 3.29Å; D927-A930 VanDerWaalsContact O-N 3.12Å; D927-D931 PolarHBondContact O-N 3.01Å
928	S	86.2	Confident	89	Confident	42 Å²	42	52.9 Å²	52.9	29%	0.294	29%	0.291	S	S	.	.	H	α-helix	trans	-57.5	-42.9	174.9	180	0	0	0	0	112.6	D924 H932	D924-S928 WeakPolarHBondContact O-CB 3.16Å; D924-S928 PolarHBondContact O-N 2.87Å; S928-H932 PolarHBondContact O-N 3.04Å; S928-H932 PolarHBondContact O-ND1 2.91Å
929	L	88.4	Confident	88.9	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-67.8	-41.7	174.5	-69.6	170.9	0	0	0	111.7	T836 V841 L843 L925 A926 D927 H932 N933 I934 V936	T836-L929 HydrophobicContact CG2-CD2 4.1Å; V841-L929 HydrophobicContact CB-CD1 4.25Å; V841-L929 HydrophobicContact CG1-CD1 4.2Å; V841-L929 HydrophobicContact CG2-CD1 4.13Å; L843-L929 HydrophobicContact CD2-CD1 3.81Å; L925-L929 HydrophobicContact CD1-CD1 3.83Å; L925-L929 HydrophobicContact CD1-CD2 4.48Å; L925-L929 HydrophobicContact CD1-CG 3.92Å; L925-L929 HydrophobicContact CG-CD1 3.95Å; L925-L929 HydrophobicContact CG-CG 4.44Å; L925-L929 WeakPolarHBondContact O-CB 2.72Å; L925-L929 WeakPolarHBondContact O-CG 3.24Å; L925-L929 PolarHBondContact O-N 3.13Å; A926-L929 PolarHBondContact O-N 3.23Å; D927-L929 VanDerWaalsContact C-N 3.34Å; D927-L929 PolarHBondContact O-N 3.39Å; L929-H932 CarbonylContact O-C 3.59Å; L929-H932 PolarHBondContact O-N 2.8Å; L929-N933 PolarHBondContact O-N 2.8Å; L929-I934 HydrophobicContact CB-CB 4.25Å; L929-I934 HydrophobicContact CB-CG2 4.11Å; L929-I934 HydrophobicContact CD2-CD1 3.74Å; L929-I934 HydrophobicContact CD2-CG2 4.36Å; L929-I934 WeakPolarHBondContact O-CB 3.37Å; L929-I934 PolarHBondContact O-N 2.8Å; L929-I934 VanDerWaalsContact O-N 3.09Å; L929-V936 HydrophobicContact CB-CG2 3.55Å; L929-V936 HydrophobicContact CD1-CG2 4.31Å
930	A	85.6	Confident	88.9	Confident	48 Å²	48	56.5 Å²	56.5	40%	0.397	31%	0.308	S	S	.	.	H	α-helix	trans	-63.2	-41.7	179.9	0	0	0	0	0	112.6	A926 D927 H932 N933	A926-A930 WeakPolarHBondContact O-CB 3.11Å; A926-A930 PolarHBondContact O-N 2.8Å; D927-A930 PolarHBondContact O-N 3.29Å; D927-A930 VanDerWaalsContact O-N 3.12Å; A930-H932 PolarHBondContact O-N 2.85Å; A930-N933 WeakPolarHBondContact O-CA 3.16Å; A930-N933 PolarHBondContact O-N 3.12Å
931	D	85	Confident	88.9	Confident	129 Å²	129	54.2 Å²	54.2	69%	0.69	29%	0.291	S	S	*	.	H	α-helix	trans	-60.4	-34.2	174.3	-84.9	-12.8	0	0	0	112	D927 N933	D927-D931 PolarHBondContact O-N 3.01Å; D931-N933 PolarHBondContact O-N 2.94Å; D931-N933 PolarHBondContact O-ND2 2.91Å; D931-N933 VanDerWaalsContact O-ND2 3.14Å
932	H	78.2	Confident	89.1	Confident	85 Å²	85	59.5 Å²	59.5	39%	0.394	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	12.4	173.4	-69.1	79.5	0	0	0	113.7	S834 T836 S928 L929 A930 I934	S834-H932 WeakPolarHBondContact CB-CE1 3.22Å; S834-H932 WeakPolarHBondContact CB-NE2 3.24Å; T836-H932 HydrophobicContact CG2-CB 4.45Å; S928-H932 PolarHBondContact O-N 3.04Å; S928-H932 PolarHBondContact O-ND1 2.91Å; L929-H932 CarbonylContact O-C 3.59Å; L929-H932 PolarHBondContact O-N 2.8Å; A930-H932 PolarHBondContact O-N 2.85Å; H932-I934 PolarHBondContact O-N 3.01Å
933	N	77.8	Confident	89.1	Confident	147 Å²	147	61.9 Å²	61.9	79%	0.786	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	23.5	179.8	-68.2	-109.8	0	0	0	113.8	L929 A930 D931	L929-N933 PolarHBondContact O-N 2.8Å; A930-N933 WeakPolarHBondContact O-CA 3.16Å; A930-N933 PolarHBondContact O-N 3.12Å; D931-N933 PolarHBondContact O-N 2.94Å; D931-N933 PolarHBondContact O-ND2 2.91Å; D931-N933 VanDerWaalsContact O-ND2 3.14Å
934	I	80.6	Confident	89.1	Confident	10 Å²	10	61.1 Å²	61.1	5%	0.051	32%	0.32	C	S	.	.			trans	-75.1	140.5	170.5	-79.1	170.6	0	0	0	109.4	T836 K837 V841 L929 H932 V936	T836-I934 HydrophobicContact CG2-CD1 3.58Å; K837-I934 WeakPolarHBondContact O-CD1 3.34Å; V841-I934 HydrophobicContact CB-CG2 4.49Å; V841-I934 HydrophobicContact CG2-CG2 3.84Å; L929-I934 HydrophobicContact CB-CB 4.25Å; L929-I934 HydrophobicContact CB-CG2 4.11Å; L929-I934 HydrophobicContact CD2-CD1 3.74Å; L929-I934 HydrophobicContact CD2-CG2 4.36Å; L929-I934 WeakPolarHBondContact O-CB 3.37Å; L929-I934 PolarHBondContact O-N 2.8Å; L929-I934 VanDerWaalsContact O-N 3.09Å; H932-I934 PolarHBondContact O-N 3.01Å; I934-V936 HydrophobicContact CG2-CG2 4.22Å; I934-V936 PolarHBondContact O-N 2.85Å
935	L	83.6	Confident	89	Confident	79 Å²	79	56.4 Å²	56.4	41%	0.414	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	96.2	177.8	178.2	59.5	0	0	0	109.7	S840 V841 Y937	S840-L935 WeakPolarHBondContact CA-O 3.11Å; V841-L935 PolarHBondContact N-O 2.93Å; L935-Y937 HydrophobicContact CD1-CE2 4.24Å; L935-Y937 HydrophobicContact CD2-CE2 3.81Å; L935-Y937 HydrophobicContact CG-CD2 4.35Å; L935-Y937 HydrophobicContact CG-CE2 3.69Å
936	V	85.8	Confident	88.8	Confident	36 Å²	36	63 Å²	63	22%	0.218	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	135.5	175.3	-179.2	0	0	0	0	111	V841 L843 A926 L929 I934	V841-V936 CarbonylContact O-C 3.01Å; V841-V936 WeakPolarHBondContact O-CA 3.28Å; L843-V936 HydrophobicContact CD1-CG1 4.49Å; L843-V936 HydrophobicContact CD2-CG1 3.74Å; L843-V936 HydrophobicContact CG-CG1 3.98Å; A926-V936 HydrophobicContact CB-CG1 4.38Å; L929-V936 HydrophobicContact CB-CG2 3.55Å; L929-V936 HydrophobicContact CD1-CG2 4.31Å; I934-V936 HydrophobicContact CG2-CG2 4.22Å; I934-V936 PolarHBondContact O-N 2.85Å
937	Y	91.6	Very high	88.4	Confident	89 Å²	89	66.2 Å²	66.2	35%	0.349	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.5	161.5	-66.5	-99.3	0	0	0	107.7	V841 L842 L843 L935 F994 H997	V841-Y937 PolarHBondContact O-N 3.48Å; L842-Y937 WeakPolarHBondContact CA-O 3.33Å; L843-Y937 PolarHBondContact N-O 3.39Å; L935-Y937 HydrophobicContact CD1-CE2 4.24Å; L935-Y937 HydrophobicContact CD2-CE2 3.81Å; L935-Y937 HydrophobicContact CG-CD2 4.35Å; L935-Y937 HydrophobicContact CG-CE2 3.69Å; Y937-F994 HydrophobicContact CD2-CD2 4.03Å; Y937-F994 AromaticContact CD2-CE2 3.84Å; Y937-F994 HydrophobicContact CD2-CE2 3.84Å; Y937-F994 HydrophobicContact CE2-CD2 4.22Å; Y937-F994 HydrophobicContact CE2-CE2 4.15Å; Y937-H997 PolarHBondContact OH-NE2 2.82Å
938	L	93.8	Very high	88.4	Confident	88 Å²	88	61.5 Å²	61.5	46%	0.461	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	135.4	175.8	179.9	64.8	0	0	0	110.5	L843 Y845 L923	L843-L938 HydrophobicContact CD1-CD1 3.58Å; L843-L938 CarbonylContact O-C 3.12Å; L843-L938 VanDerWaalsContact O-CA 3.28Å; L843-L938 WeakPolarHBondContact O-CA 3.11Å; Y845-L938 HydrophobicContact CD1-CD1 4.47Å; Y845-L938 HydrophobicContact CE1-CD1 4.17Å; L923-L938 HydrophobicContact CD2-CD2 3.92Å
939	F	94.7	Very high	88.6	Confident	32 Å²	32	61.9 Å²	61.9	14%	0.14	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	152.1	165.3	77.1	-94.7	0	0	0	111.8	Q748 L842 L843 G844 Y845 F941 E961 W991	Q748-F939 HydrophobicContact CG-CE1 4.2Å; Q748-F939 HydrophobicContact CG-CZ 3.96Å; L842-F939 HydrophobicContact CD1-CD1 4.08Å; L842-F939 HydrophobicContact CG-CD1 4.46Å; L843-F939 VanDerWaalsContact O-CD1 3.24Å; L843-F939 WeakPolarHBondContact O-CD1 3.31Å; L843-F939 PolarHBondContact O-N 3.31Å; G844-F939 WeakPolarHBondContact CA-O 3.17Å; Y845-F939 PolarHBondContact N-O 3.46Å; F939-F941 HydrophobicContact CD2-CB 4.09Å; F939-F941 HydrophobicContact CE2-CB 3.96Å; F939-E961 HydrophobicContact CE2-CG 4.5Å; F939-W991 AromaticContact CD1-CH2 3.97Å; F939-W991 HydrophobicContact CD1-CH2 3.97Å; F939-W991 AromaticContact CE1-CH2 3.78Å; F939-W991 HydrophobicContact CE1-CH2 3.78Å; F939-W991 AromaticContact CE1-CZ2 4Å; F939-W991 HydrophobicContact CE1-CZ2 4Å; F939-W991 HydrophobicContact CG-CH2 4.47Å; F939-W991 HydrophobicContact CZ-CH2 4.13Å; F939-W991 HydrophobicContact CZ-CZ2 4.36Å
940	N	96.3	Very high	88.7	Confident	58 Å²	58	62 Å²	62	31%	0.31	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.6	159.6	168.2	-14.9	0	0	0	105.7	Y845 E847	Y845-N940 HydrophobicContact CD2-CB 4.49Å; Y845-N940 HydrophobicContact CE2-CB 3.89Å; Y845-N940 CarbonylContact O-C 3.41Å; Y845-N940 VanDerWaalsContact O-CA 3.32Å; Y845-N940 WeakPolarHBondContact O-CA 3.42Å; E847-N940 PolarHBondContact OE2-ND2 3.39Å
941	F	96.5	Very high	89	Confident	11 Å²	11	60.8 Å²	60.8	5%	0.048	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	106.4	175.7	179.2	-98.3	0	0	0	110.3	Y845 N846 E847 F939 Y943 A956 E961 F964 M987	Y845-F941 PolarHBondContact O-N 2.8Å; N846-F941 CarbonylContact C-O 3.44Å; N846-F941 WeakPolarHBondContact CA-O 3.41Å; N846-F941 HydrophobicContact CB-CD1 4.41Å; N846-F941 WeakPolarHBondContact OD1-CB 3.34Å; E847-F941 PolarHBondContact N-O 3.01Å; F939-F941 HydrophobicContact CD2-CB 4.09Å; F939-F941 HydrophobicContact CE2-CB 3.96Å; F941-Y943 WeakPolarHBondContact CE1-O 3.37Å; F941-Y943 HydrophobicContact CZ-CD1 4.29Å; F941-Y943 WeakPolarHBondContact CZ-O 3.18Å; F941-A956 HydrophobicContact CD1-CB 4.3Å; F941-A956 HydrophobicContact CE1-CB 4.49Å; F941-A956 WeakPolarHBondContact O-CB 3.42Å; F941-E961 HydrophobicContact CB-CB 4.03Å; F941-E961 HydrophobicContact CD1-CB 3.49Å; F941-E961 VanDerWaalsContact CD1-CB 3.49Å; F941-E961 HydrophobicContact CD2-CB 3.74Å; F941-E961 HydrophobicContact CE1-CB 3.78Å; F941-E961 HydrophobicContact CE2-CB 4.02Å; F941-E961 HydrophobicContact CG-CB 3.46Å; F941-E961 VanDerWaalsContact CG-CB 3.46Å; F941-E961 HydrophobicContact CZ-CB 4.04Å; F941-F964 AromaticContact CE2-CD2 3.98Å; F941-F964 HydrophobicContact CE2-CD2 3.98Å; F941-F964 HydrophobicContact CE2-CE2 4.37Å; F941-F964 AromaticContact CZ-CD2 3.59Å; F941-F964 HydrophobicContact CZ-CD2 3.59Å; F941-F964 AromaticContact CZ-CE2 3.62Å; F941-F964 HydrophobicContact CZ-CE2 3.62Å; F941-M987 HydrophobicContact CD2-CE 4.03Å; F941-M987 HydrophobicContact CD2-SD 3.86Å; F941-M987 HydrophobicContact CE2-CE 4.29Å; F941-M987 HydrophobicContact CE2-SD 3.59Å; F941-M987 VanDerWaalsContact CE2-SD 3.59Å
942	N	95.3	Very high	89.2	Confident	118 Å²	118	61 Å²	61	63%	0.631	31%	0.309	S	S	*	.			trans	-116.8	29	-175.3	67.2	-7.8	0	0	0	113	E847	E847-N942 HydrophobicContact CB-CB 3.83Å; E847-N942 HydrophobicContact CG-CB 4.29Å
943	Y	94.6	Very high	89.6	Confident	51 Å²	51	59.3 Å²	59.3	20%	0.2	30%	0.3	C	S	.	.			trans	-109.2	150.3	178.4	-174.7	-98.9	0	0	0	111	F941 A956 F964 E979 D980 M983	F941-Y943 WeakPolarHBondContact CE1-O 3.37Å; F941-Y943 HydrophobicContact CZ-CD1 4.29Å; F941-Y943 WeakPolarHBondContact CZ-O 3.18Å; Y943-A956 VanDerWaalsContact O-CB 3.27Å; Y943-A956 WeakPolarHBondContact O-CB 3.07Å; Y943-F964 HydrophobicContact CD1-CE1 4.06Å; Y943-F964 HydrophobicContact CD1-CE2 4.08Å; Y943-F964 AromaticContact CD1-CZ 3.61Å; Y943-F964 HydrophobicContact CD1-CZ 3.61Å; Y943-F964 AromaticContact CE1-CE1 3.75Å; Y943-F964 HydrophobicContact CE1-CE1 3.75Å; Y943-F964 HydrophobicContact CE1-CE2 4.43Å; Y943-F964 AromaticContact CE1-CZ 3.53Å; Y943-F964 HydrophobicContact CE1-CZ 3.53Å; Y943-E979 WeakPolarHBondContact OH-CB 3.33Å; Y943-D980 WeakPolarHBondContact CE1-OD1 3.48Å; Y943-D980 VanDerWaalsContact CZ-OD1 3.29Å; Y943-D980 PolarHBondContact OH-OD1 3.31Å; Y943-M983 HydrophobicContact CD1-CB 4.32Å; Y943-M983 HydrophobicContact CD1-CE 4.23Å; Y943-M983 HydrophobicContact CD1-CG 3.85Å; Y943-M983 HydrophobicContact CD2-CE 3.74Å; Y943-M983 HydrophobicContact CE1-CB 4.15Å; Y943-M983 HydrophobicContact CE1-CG 4.19Å; Y943-M983 HydrophobicContact CE2-CE 4.34Å; Y943-M983 HydrophobicContact CG-CE 3.67Å; Y943-M983 HydrophobicContact CG-CG 4.24Å
944	R	93.3	Very high	90.3	Very high	39 Å²	39	52.3 Å²	52.3	15%	0.147	26%	0.263	C	S	.	.			trans	-133.7	121.2	179.7	176.4	180	171.3	68.4	16.7	108.1	N948 W950 G955	R944-N948 HydrophobicContact CG-CB 4.36Å; R944-N948 PolarHBondContact NH1-ND2 3.05Å; R944-N948 PolarHBondContact NH1-OD1 2.74Å; R944-N948 PolarHBondContact NH2-O 2.82Å; R944-N948 PolarHBondContact NH2-OD1 2.66Å; R944-N948 VanDerWaalsContact NH2-OD1 3.16Å; R944-W950 PolarHBondContact NH2-O 2.89Å; R944-G955 VanDerWaalsContact CD-O 3.31Å; R944-G955 WeakPolarHBondContact CD-O 3.42Å; R944-G955 WeakPolarHBondContact CG-O 3.27Å; R944-G955 PolarHBondContact NH1-O 3.14Å
945	S	89.6	Confident	90.9	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.007	27%	0.267	C	S	.	.			trans	-56.7	139.9	172.2	175	0	0	0	0	110.4	S947 N948 E963 D980	S945-S947 PolarHBondContact O-N 3.19Å; S945-S947 WeakPolarHBondContact OG-CB 3.33Å; S945-S947 PolarHBondContact OG-N 3.38Å; S945-S947 PolarHBondContact OG-OG 2.91Å; S945-N948 VanDerWaalsContact O-CB 3.29Å; S945-N948 WeakPolarHBondContact O-CB 3.32Å; S945-N948 PolarHBondContact O-N 3.38Å; S945-E963 WeakPolarHBondContact CB-OE1 3.04Å; S945-D980 WeakPolarHBondContact CB-OD2 3.38Å; S945-D980 PolarHBondContact OG-OD2 3.4Å
946	E	85.4	Confident	91.4	Very high	142 Å²	142	49 Å²	49	66%	0.664	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.4	168.9	-59.4	-168.5	158.4	0	0	111.8	I977	E946-I977 HydrophobicContact CB-CD1 4.14Å; E946-I977 HydrophobicContact CB-CG1 4.24Å; E946-I977 HydrophobicContact CG-CG2 4.44Å
947	S	84.9	Confident	91.9	Very high	73 Å²	73	47.3 Å²	47.3	51%	0.51	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-7.2	175.4	78.9	0	0	0	0	114.4	S945 P949	S945-S947 PolarHBondContact O-N 3.19Å; S945-S947 WeakPolarHBondContact OG-CB 3.33Å; S945-S947 PolarHBondContact OG-N 3.38Å; S945-S947 PolarHBondContact OG-OG 2.91Å; S947-P949 WeakPolarHBondContact O-CD 3.47Å
948	N	89.2	Confident	92.1	Very high	11 Å²	11	43.6 Å²	43.6	6%	0.059	23%	0.225	C	C	.	.			trans	-60.6	118.3	-178.2	177.6	-54.9	0	0	0	110.8	R944 S945 W950 Y960	R944-N948 HydrophobicContact CG-CB 4.36Å; R944-N948 PolarHBondContact NH1-ND2 3.05Å; R944-N948 PolarHBondContact NH1-OD1 2.74Å; R944-N948 PolarHBondContact NH2-O 2.82Å; R944-N948 PolarHBondContact NH2-OD1 2.66Å; R944-N948 VanDerWaalsContact NH2-OD1 3.16Å; S945-N948 VanDerWaalsContact O-CB 3.29Å; S945-N948 WeakPolarHBondContact O-CB 3.32Å; S945-N948 PolarHBondContact O-N 3.38Å; N948-W950 VanDerWaalsContact C-N 3.3Å; N948-W950 PolarHBondContact O-N 3.17Å; N948-W950 WeakPolarHBondContact OD1-CB 3.5Å; N948-W950 PolarHBondContact OD1-N 2.72Å; N948-Y960 HydrophobicContact CB-CE1 4.41Å; N948-Y960 WeakPolarHBondContact ND2-CD1 3.49Å; N948-Y960 WeakPolarHBondContact ND2-CE1 3.45Å
949	P	90	Very high	92.2	Very high	49 Å²	49	39.5 Å²	39.5	32%	0.318	20%	0.204	S	C	.	.			trans	-78.7	-8.8	-168.2	31.8	-37.5	0	0	0	114.2	F603 E604 S947	F603-P949 HydrophobicContact CE2-CB 3.93Å; F603-P949 WeakPolarHBondContact CE2-O 3.46Å; F603-P949 HydrophobicContact CZ-CB 4.14Å; F603-P949 HydrophobicContact CZ-CG 4.33Å; F603-P949 WeakPolarHBondContact CZ-O 3.39Å; E604-P949 HydrophobicContact CB-CG 4.46Å; S947-P949 WeakPolarHBondContact O-CD 3.47Å
950	W	91.8	Very high	92.2	Very high	5 Å²	5	38.5 Å²	38.5	2%	0.019	20%	0.199	C	C	.	.	S	Bend	trans	-76.5	158.3	179.2	-67.1	88.6	0	0	0	112.2	F603 G605 T606 F852 P855 T856 I864 R944 N948 Q952 M954 M957 Y960	F603-W950 HydrophobicContact CD1-CZ2 4.48Å; F603-W950 AromaticContact CE1-CD2 3.67Å; F603-W950 HydrophobicContact CE1-CD2 3.67Å; F603-W950 AromaticContact CE1-CE2 3.61Å; F603-W950 AromaticContact CE1-CE3 3.83Å; F603-W950 HydrophobicContact CE1-CE3 3.83Å; F603-W950 HydrophobicContact CE1-CG 4.3Å; F603-W950 AromaticContact CE1-CH2 3.94Å; F603-W950 HydrophobicContact CE1-CH2 3.94Å; F603-W950 AromaticContact CE1-CZ2 3.75Å; F603-W950 HydrophobicContact CE1-CZ2 3.75Å; F603-W950 AromaticContact CE1-CZ3 3.97Å; F603-W950 HydrophobicContact CE1-CZ3 3.97Å; F603-W950 AromaticContact CZ-CD2 3.92Å; F603-W950 HydrophobicContact CZ-CD2 3.92Å; F603-W950 HydrophobicContact CZ-CE3 4.22Å; F603-W950 HydrophobicContact CZ-CG 4.11Å; G605-W950 VanDerWaalsContact O-CZ2 3.31Å; G605-W950 WeakPolarHBondContact O-CZ2 3.22Å; G605-W950 PolarHBondContact O-NE1 3.22Å; T606-W950 HydrophobicContact CG2-CH2 3.62Å; T606-W950 HydrophobicContact CG2-CZ2 3.71Å; F852-W950 HydrophobicContact CD2-CH2 4.11Å; F852-W950 AromaticContact CD2-CZ2 3.85Å; F852-W950 HydrophobicContact CD2-CZ2 3.85Å; F852-W950 AromaticContact CE2-CH2 3.97Å; F852-W950 HydrophobicContact CE2-CH2 3.97Å; F852-W950 AromaticContact CE2-CZ2 3.61Å; F852-W950 HydrophobicContact CE2-CZ2 3.61Å; P855-W950 HydrophobicContact CB-CZ3 4.32Å; P855-W950 HydrophobicContact CG-CE3 4.31Å; P855-W950 HydrophobicContact CG-CZ3 3.71Å; T856-W950 HydrophobicContact CG2-CH2 4.11Å; I864-W950 HydrophobicContact CG2-CE3 3.71Å; I864-W950 HydrophobicContact CG2-CH2 4.48Å; I864-W950 HydrophobicContact CG2-CZ3 3.49Å; I864-W950 VanDerWaalsContact CG2-CZ3 3.49Å; R944-W950 PolarHBondContact NH2-O 2.89Å; N948-W950 VanDerWaalsContact C-N 3.3Å; N948-W950 PolarHBondContact O-N 3.17Å; N948-W950 WeakPolarHBondContact OD1-CB 3.5Å; N948-W950 PolarHBondContact OD1-N 2.72Å; W950-Q952 PolarHBondContact O-N 3.32Å; W950-M954 HydrophobicContact CB-CE 4.15Å; W950-M954 HydrophobicContact CB-SD 3.88Å; W950-M954 HydrophobicContact CD2-CE 3.78Å; W950-M954 HydrophobicContact CD2-SD 4.2Å; W950-M954 HydrophobicContact CE3-CE 3.48Å; W950-M954 VanDerWaalsContact CE3-CE 3.48Å; W950-M954 HydrophobicContact CE3-SD 3.63Å; W950-M954 HydrophobicContact CG-CE 4.1Å; W950-M954 HydrophobicContact CG-SD 4.35Å; W950-M954 HydrophobicContact CZ3-CE 4.11Å; W950-M954 HydrophobicContact CZ3-SD 4.5Å; W950-M957 HydrophobicContact CB-CE 4.49Å; W950-M957 HydrophobicContact CB-SD 4Å; W950-M957 VanDerWaalsContact CD1-SD 3.54Å; W950-M957 HydrophobicContact CD2-CE 3.83Å; W950-M957 HydrophobicContact CD2-SD 4.46Å; W950-M957 HydrophobicContact CG-CE 3.74Å; W950-M957 HydrophobicContact CG-SD 3.75Å; W950-M957 HydrophobicContact CZ2-CE 4.43Å; W950-Y960 AromaticContact CD1-CZ 3.74Å; W950-Y960 VanDerWaalsContact CD1-OH 3.23Å; W950-Y960 AromaticContact NE1-CE2 3.97Å; W950-Y960 AromaticContact NE1-CZ 3.79Å; W950-Y960 PolarHBondContact NE1-OH 3.01Å
951	P	90.4	Very high	92.2	Very high	24 Å²	24	35.7 Å²	35.7	16%	0.156	19%	0.185	C	C	.	.			trans	-49.4	137.8	172	-30.8	36.5	0	0	0	114.1	W953 M954	P951-W953 VanDerWaalsContact CB-CD1 3.48Å; P951-W953 HydrophobicContact CB-CG 4.42Å; P951-W953 PolarHBondContact O-N 2.87Å; P951-M954 HydrophobicContact CB-SD 4.44Å; P951-M954 HydrophobicContact CG-SD 4.37Å; P951-M954 WeakPolarHBondContact O-CB 3.38Å; P951-M954 PolarHBondContact O-N 3.21Å
952	Q	89.5	Confident	92.1	Very high	132 Å²	132	35.2 Å²	35.2	62%	0.617	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-58	-24.9	-174.1	-69	-68.3	-8.9	0	0	114.4	W950 M954 G955	W950-Q952 PolarHBondContact O-N 3.32Å; Q952-M954 PolarHBondContact O-N 2.87Å; Q952-G955 PolarHBondContact O-N 3.03Å
953	W	87.6	Confident	91.9	Very high	50 Å²	50	30.9 Å²	30.9	19%	0.189	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-64.4	-18.1	176.8	71.7	-101.1	0	0	0	113.8	L854 R906 P951 G955	L854-W953 HydrophobicContact CB-CH2 4.3Å; L854-W953 HydrophobicContact CD1-CH2 4.2Å; L854-W953 HydrophobicContact CD1-CZ3 4.3Å; R906-W953 HydrophobicContact CG-CD2 4.42Å; R906-W953 HydrophobicContact CG-CE3 3.94Å; R906-W953 HydrophobicContact CG-CH2 4.06Å; R906-W953 HydrophobicContact CG-CZ2 4.49Å; R906-W953 HydrophobicContact CG-CZ3 3.75Å; P951-W953 VanDerWaalsContact CB-CD1 3.48Å; P951-W953 HydrophobicContact CB-CG 4.42Å; P951-W953 PolarHBondContact O-N 2.87Å; W953-G955 VanDerWaalsContact C-N 3.31Å; W953-G955 PolarHBondContact O-N 2.95Å
954	M	91.7	Very high	91.9	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-80.7	-8	-177	-62.7	177.7	55.6	0	0	113.6	D848 S851 P855 W950 P951 Q952 A956 M957	D848-M954 WeakPolarHBondContact CB-O 3.48Å; S851-M954 PolarHBondContact OG-O 3.11Å; S851-M954 VanDerWaalsContact OG-O 3.06Å; P855-M954 HydrophobicContact CG-CE 4.02Å; P855-M954 HydrophobicContact CG-SD 4.22Å; W950-M954 HydrophobicContact CB-CE 4.15Å; W950-M954 HydrophobicContact CB-SD 3.88Å; W950-M954 HydrophobicContact CD2-CE 3.78Å; W950-M954 HydrophobicContact CD2-SD 4.2Å; W950-M954 HydrophobicContact CE3-CE 3.48Å; W950-M954 VanDerWaalsContact CE3-CE 3.48Å; W950-M954 HydrophobicContact CE3-SD 3.63Å; W950-M954 HydrophobicContact CG-CE 4.1Å; W950-M954 HydrophobicContact CG-SD 4.35Å; W950-M954 HydrophobicContact CZ3-CE 4.11Å; W950-M954 HydrophobicContact CZ3-SD 4.5Å; P951-M954 HydrophobicContact CB-SD 4.44Å; P951-M954 HydrophobicContact CG-SD 4.37Å; P951-M954 WeakPolarHBondContact O-CB 3.38Å; P951-M954 PolarHBondContact O-N 3.21Å; Q952-M954 PolarHBondContact O-N 2.87Å; M954-A956 PolarHBondContact O-N 3.31Å; M954-M957 HydrophobicContact CE-CE 3.52Å; M954-M957 HydrophobicContact CE-SD 4.11Å
955	G	93	Very high	92	Very high	15 Å²	15	26.6 Å²	26.6	16%	0.155	14%	0.142	C	C	.	.			trans	56.2	-133.6	167	0	0	0	0	0	114.1	D848 R944 Q952 W953 M957	D848-G955 WeakPolarHBondContact OD2-CA 3.09Å; R944-G955 VanDerWaalsContact CD-O 3.31Å; R944-G955 WeakPolarHBondContact CD-O 3.42Å; R944-G955 WeakPolarHBondContact CG-O 3.27Å; R944-G955 PolarHBondContact NH1-O 3.14Å; Q952-G955 PolarHBondContact O-N 3.03Å; W953-G955 VanDerWaalsContact C-N 3.31Å; W953-G955 PolarHBondContact O-N 2.95Å; G955-M957 PolarHBondContact O-N 3.25Å
956	A	95.1	Very high	92.2	Very high	5 Å²	5	26.6 Å²	26.6	4%	0.041	14%	0.142	C	C	.	.	S	Bend	trans	-95.7	82	176.7	0	0	0	0	0	110	N846 E847 D848 F941 Y943 M954	N846-A956 WeakPolarHBondContact CB-O 3.34Å; E847-A956 HydrophobicContact CB-CB 4.25Å; D848-A956 WeakPolarHBondContact CA-O 3.28Å; D848-A956 PolarHBondContact N-O 3.01Å; D848-A956 PolarHBondContact OD2-N 2.93Å; D848-A956 VanDerWaalsContact OD2-N 3.08Å; F941-A956 HydrophobicContact CD1-CB 4.3Å; F941-A956 HydrophobicContact CE1-CB 4.49Å; F941-A956 WeakPolarHBondContact O-CB 3.42Å; Y943-A956 VanDerWaalsContact O-CB 3.27Å; Y943-A956 WeakPolarHBondContact O-CB 3.07Å; M954-A956 PolarHBondContact O-N 3.31Å
957	M	95.3	Very high	92.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.11	C	C	.	.			trans	-79.3	166.4	-173.2	64	-166.5	-72.1	0	0	114.4	N846 S851 F852 W950 M954 G955 G959 Y960	N846-M957 PolarHBondContact ND2-O 3.21Å; S851-M957 VanDerWaalsContact OG-CB 3.25Å; S851-M957 WeakPolarHBondContact OG-CB 3.24Å; F852-M957 HydrophobicContact CB-CE 3.79Å; F852-M957 HydrophobicContact CD2-CE 3.53Å; F852-M957 HydrophobicContact CG-CE 4.03Å; W950-M957 HydrophobicContact CB-CE 4.49Å; W950-M957 HydrophobicContact CB-SD 4Å; W950-M957 VanDerWaalsContact CD1-SD 3.54Å; W950-M957 HydrophobicContact CD2-CE 3.83Å; W950-M957 HydrophobicContact CD2-SD 4.46Å; W950-M957 HydrophobicContact CG-CE 3.74Å; W950-M957 HydrophobicContact CG-SD 3.75Å; W950-M957 HydrophobicContact CZ2-CE 4.43Å; M954-M957 HydrophobicContact CE-CE 3.52Å; M954-M957 HydrophobicContact CE-SD 4.11Å; G955-M957 PolarHBondContact O-N 3.25Å; M957-G959 PolarHBondContact O-N 2.84Å; M957-Y960 HydrophobicContact CE-CD2 4.13Å; M957-Y960 HydrophobicContact CE-CE2 3.77Å; M957-Y960 HydrophobicContact CG-CD2 3.36Å; M957-Y960 HydrophobicContact CG-CE2 3.95Å; M957-Y960 HydrophobicContact CG-CG 3.83Å; M957-Y960 PolarHBondContact O-N 3.41Å; M957-Y960 HydrophobicContact SD-CD2 3.76Å; M957-Y960 HydrophobicContact SD-CE2 3.7Å; M957-Y960 HydrophobicContact SD-CG 4.33Å
958	H	97.1	Very high	92.6	Very high	11 Å²	11	17.6 Å²	17.6	5%	0.051	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	132.6	176.5	-166	66.4	0	0	0	112.9	E722 S723 E849 F852 W853 F918 Y960	E722-H958 IonicContact OE1-CD2 2.9Å; E722-H958 IonicContact OE1-CE1 3.06Å; E722-H958 IonicContact OE1-CG 2.94Å; E722-H958 IonicContact OE1-ND1 2.61Å; E722-H958 IonicContact OE1-NE2 3.2Å; E722-H958 PolarHBondContact OE1-NE2 2.79Å; S723-H958 WeakPolarHBondContact CB-NE2 3.24Å; S723-H958 PolarHBondContact OG-NE2 2.74Å; E849-H958 IonicContact OE2-CE1 3.8Å; E849-H958 IonicContact OE2-CG 3.96Å; E849-H958 IonicContact OE2-ND1 2.78Å; E849-H958 PolarHBondContact OE2-ND1 3.31Å; F852-H958 HydrophobicContact CB-CB 4.28Å; F852-H958 HydrophobicContact CD1-CB 4.47Å; W853-H958 AromaticContact CZ2-CD2 3.46Å; W853-H958 VanDerWaalsContact CZ2-CD2 3.46Å; W853-H958 WeakPolarHBondContact CZ2-CD2 3.27Å; W853-H958 AromaticContact CZ2-NE2 3.66Å; F918-H958 AromaticContact CD1-CE1 3.55Å; F918-H958 AromaticContact CD1-ND1 3.93Å; F918-H958 AromaticContact CE1-CE1 3.25Å; F918-H958 WeakPolarHBondContact CE1-CE1 3.48Å; F918-H958 AromaticContact CE1-ND1 3.87Å; F918-H958 AromaticContact CE1-NE2 3.71Å; F918-H958 AromaticContact CZ-CE1 3.99Å; H958-Y960 VanDerWaalsContact C-N 3.27Å; H958-Y960 PolarHBondContact O-N 2.79Å
959	G	94.8	Very high	92.5	Very high	2 Å²	2	17.8 Å²	17.8	2%	0.021	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	-2.5	175.4	0	0	0	0	0	117.5	E722 N846 M957 E961 I962	E722-G959 WeakPolarHBondContact OE1-CA 3.36Å; E722-G959 PolarHBondContact OE1-N 3.29Å; N846-G959 PolarHBondContact ND2-N 3.01Å; M957-G959 PolarHBondContact O-N 2.84Å; G959-E961 VanDerWaalsContact C-N 3.34Å; G959-E961 VanDerWaalsContact CA-OE2 3.32Å; G959-E961 WeakPolarHBondContact CA-OE2 3.46Å; G959-I962 WeakPolarHBondContact O-CB 3.15Å; G959-I962 VanDerWaalsContact O-CD1 3.31Å; G959-I962 WeakPolarHBondContact O-CD1 3.41Å; G959-I962 WeakPolarHBondContact O-CG1 3.18Å
960	Y	94.7	Very high	92.3	Very high	10 Å²	10	17.4 Å²	17.4	4%	0.039	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-0.7	-178.6	-89.1	-99.8	0	0	0	114.9	M608 W609 N948 W950 M957 H958 I962 F964	M608-Y960 HydrophobicContact SD-CE1 4.37Å; M608-Y960 PolarHBondContact SD-OH 2.52Å; W609-Y960 HydrophobicContact CZ2-CD2 4.34Å; W609-Y960 AromaticContact CZ2-CE2 3.94Å; W609-Y960 HydrophobicContact CZ2-CE2 3.94Å; N948-Y960 HydrophobicContact CB-CE1 4.41Å; N948-Y960 WeakPolarHBondContact ND2-CD1 3.49Å; N948-Y960 WeakPolarHBondContact ND2-CE1 3.45Å; W950-Y960 AromaticContact CD1-CZ 3.74Å; W950-Y960 VanDerWaalsContact CD1-OH 3.23Å; W950-Y960 AromaticContact NE1-CE2 3.97Å; W950-Y960 AromaticContact NE1-CZ 3.79Å; W950-Y960 PolarHBondContact NE1-OH 3.01Å; M957-Y960 HydrophobicContact CE-CD2 4.13Å; M957-Y960 HydrophobicContact CE-CE2 3.77Å; M957-Y960 HydrophobicContact CG-CD2 3.36Å; M957-Y960 HydrophobicContact CG-CE2 3.95Å; M957-Y960 HydrophobicContact CG-CG 3.83Å; M957-Y960 PolarHBondContact O-N 3.41Å; M957-Y960 HydrophobicContact SD-CD2 3.76Å; M957-Y960 HydrophobicContact SD-CE2 3.7Å; M957-Y960 HydrophobicContact SD-CG 4.33Å; H958-Y960 VanDerWaalsContact C-N 3.27Å; H958-Y960 PolarHBondContact O-N 2.79Å; Y960-I962 VanDerWaalsContact C-N 3.32Å; Y960-F964 WeakPolarHBondContact O-CD2 3.47Å; Y960-F964 WeakPolarHBondContact O-CE2 3.47Å
961	E	95.7	Very high	91.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-20.9	169.1	86.7	-61	161.2	0	0	112.1	E722 Q748 N846 F939 F941 G959 E963 F964 I965 M987	E722-E961 WeakPolarHBondContact CG-OE1 3.02Å; Q748-E961 PolarHBondContact NE2-OE1 2.91Å; N846-E961 PolarHBondContact ND2-OE2 2.69Å; F939-E961 HydrophobicContact CE2-CG 4.5Å; F941-E961 HydrophobicContact CB-CB 4.03Å; F941-E961 HydrophobicContact CD1-CB 3.49Å; F941-E961 VanDerWaalsContact CD1-CB 3.49Å; F941-E961 HydrophobicContact CD2-CB 3.74Å; F941-E961 HydrophobicContact CE1-CB 3.78Å; F941-E961 HydrophobicContact CE2-CB 4.02Å; F941-E961 HydrophobicContact CG-CB 3.46Å; F941-E961 VanDerWaalsContact CG-CB 3.46Å; F941-E961 HydrophobicContact CZ-CB 4.04Å; G959-E961 VanDerWaalsContact C-N 3.34Å; G959-E961 VanDerWaalsContact CA-OE2 3.32Å; G959-E961 WeakPolarHBondContact CA-OE2 3.46Å; E961-E963 PolarHBondContact O-N 3.11Å; E961-F964 PolarHBondContact O-N 3.04Å; E961-I965 HydrophobicContact CG-CD1 3.94Å; E961-I965 WeakPolarHBondContact O-CG1 3.35Å; E961-I965 PolarHBondContact O-N 2.98Å; E961-M987 HydrophobicContact CB-CE 4.13Å; E961-M987 HydrophobicContact CG-CE 4.45Å
962	I	95.5	Very high	90	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-39.1	-176.2	-53.3	171.9	0	0	0	112.4	W609 W638 L653 Y654 E722 G959 Y960 F964 I965 F966	W609-I962 HydrophobicContact CH2-CD1 4.4Å; W609-I962 HydrophobicContact CZ3-CD1 4.38Å; W638-I962 HydrophobicContact CH2-CD1 4.04Å; W638-I962 HydrophobicContact CH2-CG1 4.16Å; W638-I962 HydrophobicContact CH2-CG2 4.19Å; W638-I962 HydrophobicContact CZ2-CD1 4.09Å; W638-I962 HydrophobicContact CZ2-CG2 4.14Å; L653-I962 HydrophobicContact CD2-CB 4.15Å; L653-I962 HydrophobicContact CD2-CD1 4.41Å; L653-I962 HydrophobicContact CD2-CG2 4.05Å; L653-I962 HydrophobicContact CG-CB 4.36Å; L653-I962 HydrophobicContact CG-CG2 3.94Å; Y654-I962 HydrophobicContact CD1-CG2 3.96Å; Y654-I962 HydrophobicContact CE1-CD1 4.21Å; Y654-I962 HydrophobicContact CE1-CG2 3.92Å; E722-I962 HydrophobicContact CB-CD1 4.02Å; E722-I962 HydrophobicContact CB-CG1 4.38Å; E722-I962 HydrophobicContact CG-CD1 3.8Å; E722-I962 HydrophobicContact CG-CG1 4.14Å; G959-I962 WeakPolarHBondContact O-CB 3.15Å; G959-I962 VanDerWaalsContact O-CD1 3.31Å; G959-I962 WeakPolarHBondContact O-CD1 3.41Å; G959-I962 WeakPolarHBondContact O-CG1 3.18Å; Y960-I962 VanDerWaalsContact C-N 3.32Å; I962-F964 PolarHBondContact O-N 3.42Å; I962-I965 PolarHBondContact O-N 3.34Å; I962-F966 HydrophobicContact CG2-CD2 3.58Å; I962-F966 HydrophobicContact CG2-CE2 3.85Å; I962-F966 PolarHBondContact O-N 3.17Å; I962-F966 VanDerWaalsContact O-N 3.08Å
963	E	91	Very high	88.4	Confident	27 Å²	27	22.2 Å²	22.2	13%	0.126	13%	0.133	C	C	.	.	H	α-helix	trans	-59.1	-35.6	-177.4	69.5	-174.4	149.9	0	0	112.1	L653 S945 E961 G967 G968 P969	L653-E963 HydrophobicContact CD1-CB 3.61Å; S945-E963 WeakPolarHBondContact CB-OE1 3.04Å; E961-E963 PolarHBondContact O-N 3.11Å; E963-G967 PolarHBondContact O-N 3.42Å; E963-G968 WeakPolarHBondContact O-CA 3.47Å; E963-G968 PolarHBondContact O-N 3Å; E963-P969 WeakPolarHBondContact O-CD 3.47Å
964	F	93.9	Very high	86.8	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-74.4	-37.4	177.7	-60	-76.3	0	0	0	111.8	F941 Y943 Y960 E961 I962 P969 D980 M983 S984 M987	F941-F964 AromaticContact CE2-CD2 3.98Å; F941-F964 HydrophobicContact CE2-CD2 3.98Å; F941-F964 HydrophobicContact CE2-CE2 4.37Å; F941-F964 AromaticContact CZ-CD2 3.59Å; F941-F964 HydrophobicContact CZ-CD2 3.59Å; F941-F964 AromaticContact CZ-CE2 3.62Å; F941-F964 HydrophobicContact CZ-CE2 3.62Å; Y943-F964 HydrophobicContact CD1-CE1 4.06Å; Y943-F964 HydrophobicContact CD1-CE2 4.08Å; Y943-F964 AromaticContact CD1-CZ 3.61Å; Y943-F964 HydrophobicContact CD1-CZ 3.61Å; Y943-F964 AromaticContact CE1-CE1 3.75Å; Y943-F964 HydrophobicContact CE1-CE1 3.75Å; Y943-F964 HydrophobicContact CE1-CE2 4.43Å; Y943-F964 AromaticContact CE1-CZ 3.53Å; Y943-F964 HydrophobicContact CE1-CZ 3.53Å; Y960-F964 WeakPolarHBondContact O-CD2 3.47Å; Y960-F964 WeakPolarHBondContact O-CE2 3.47Å; E961-F964 PolarHBondContact O-N 3.04Å; I962-F964 PolarHBondContact O-N 3.42Å; F964-P969 HydrophobicContact CD1-CG 4.24Å; F964-P969 HydrophobicContact CE1-CG 4.22Å; F964-D980 HydrophobicContact CE1-CB 3.99Å; F964-M983 HydrophobicContact CB-CG 4.41Å; F964-M983 HydrophobicContact CD1-CB 3.7Å; F964-M983 HydrophobicContact CD1-CG 3.57Å; F964-M983 HydrophobicContact CE1-CB 3.9Å; F964-M983 HydrophobicContact CE1-CG 3.93Å; F964-M983 HydrophobicContact CG-CG 3.9Å; F964-S984 WeakPolarHBondContact O-CA 3.4Å; F964-S984 WeakPolarHBondContact O-CB 3.25Å; F964-S984 PolarHBondContact O-OG 3.18Å; F964-M987 HydrophobicContact CB-CB 4.36Å; F964-M987 HydrophobicContact CB-CG 4.31Å; F964-M987 HydrophobicContact CB-SD 3.48Å; F964-M987 WeakPolarHBondContact CB-SD 3.19Å; F964-M987 HydrophobicContact CG-SD 4.21Å
965	I	95.1	Very high	85	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.9	-38.9	-179.6	-65.5	163.9	0	0	0	112	L659 M720 E961 I962 M987 M988 W991	L659-I965 WeakPolarHBondContact CD1-O 3.23Å; L659-I965 WeakPolarHBondContact CG-O 3.47Å; M720-I965 HydrophobicContact CE-CG2 3.99Å; M720-I965 HydrophobicContact SD-CG2 4.27Å; E961-I965 HydrophobicContact CG-CD1 3.94Å; E961-I965 WeakPolarHBondContact O-CG1 3.35Å; E961-I965 PolarHBondContact O-N 2.98Å; I962-I965 PolarHBondContact O-N 3.34Å; I965-M987 HydrophobicContact CD1-CE 3.87Å; I965-M987 HydrophobicContact CG1-CB 4.43Å; I965-M987 HydrophobicContact CG1-CE 3.62Å; I965-M988 VanDerWaalsContact O-CG 3.29Å; I965-M988 WeakPolarHBondContact O-CG 3.31Å; I965-W991 HydrophobicContact CD1-CD2 4.39Å; I965-W991 HydrophobicContact CD1-CH2 4Å; I965-W991 HydrophobicContact CD1-CZ2 3.36Å; I965-W991 HydrophobicContact CG1-CD2 4.17Å; I965-W991 HydrophobicContact CG1-CH2 4.38Å; I965-W991 HydrophobicContact CG1-CZ2 3.98Å; I965-W991 HydrophobicContact CG2-CD2 4.44Å; I965-W991 HydrophobicContact CG2-CG 4.12Å
966	F	93.8	Very high	83.5	Confident	1 Å²	1	33.7 Å²	33.7	0%	0.004	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-1.1	-179.5	-81.2	-90.2	0	0	0	114.6	W638 L653 Y654 L659 V667 M720 I962	W638-F966 HydrophobicContact CB-CZ 4.03Å; W638-F966 AromaticContact CD2-CE2 3.96Å; W638-F966 HydrophobicContact CD2-CE2 3.96Å; W638-F966 AromaticContact CD2-CZ 3.74Å; W638-F966 HydrophobicContact CD2-CZ 3.74Å; W638-F966 HydrophobicContact CE3-CE2 4.14Å; W638-F966 HydrophobicContact CE3-CZ 4.16Å; W638-F966 HydrophobicContact CG-CE2 4.39Å; W638-F966 AromaticContact CG-CZ 3.71Å; W638-F966 HydrophobicContact CG-CZ 3.71Å; W638-F966 HydrophobicContact CH2-CE2 4.36Å; W638-F966 HydrophobicContact CZ2-CE2 4.25Å; W638-F966 HydrophobicContact CZ3-CE2 4.32Å; L653-F966 WeakPolarHBondContact O-CB 3.28Å; L653-F966 WeakPolarHBondContact O-CG 3.29Å; Y654-F966 VanDerWaalsContact C-CD1 3.46Å; Y654-F966 HydrophobicContact CD1-CE2 4.35Å; Y654-F966 WeakPolarHBondContact O-CE1 3.46Å; L659-F966 HydrophobicContact CD1-CD1 4.25Å; V667-F966 HydrophobicContact CG1-CE1 4.36Å; M720-F966 HydrophobicContact CE-CE2 3.7Å; M720-F966 HydrophobicContact CE-CZ 3.74Å; I962-F966 HydrophobicContact CG2-CD2 3.58Å; I962-F966 HydrophobicContact CG2-CE2 3.85Å; I962-F966 PolarHBondContact O-N 3.17Å; I962-F966 VanDerWaalsContact O-N 3.08Å
967	G	90.5	Very high	82.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	20.6	179.3	0	0	0	0	0	114.6	E963 L970 N971 S984	E963-G967 PolarHBondContact O-N 3.42Å; G967-L970 WeakPolarHBondContact O-CA 3.4Å; G967-L970 WeakPolarHBondContact O-CB 3.05Å; G967-L970 PolarHBondContact O-N 2.76Å; G967-N971 PolarHBondContact O-N 3.16Å; G967-N971 PolarHBondContact O-OD1 3.42Å; G967-S984 WeakPolarHBondContact CA-OG 3.24Å
968	G	88.5	Confident	81.9	Confident	26 Å²	26	40.9 Å²	40.9	27%	0.268	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-45.7	-54.8	-177.6	0	0	0	0	0	114.1	E963 L970 N971	E963-G968 WeakPolarHBondContact O-CA 3.47Å; E963-G968 PolarHBondContact O-N 3Å; G968-L970 PolarHBondContact O-N 3.49Å; G968-N971 WeakPolarHBondContact O-CB 3.11Å; G968-N971 PolarHBondContact O-N 3.18Å
969	P	88.1	Confident	81.5	Confident	16 Å²	16	45 Å²	45	10%	0.104	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-59.4	-15.4	177.2	-28.2	36.8	0	0	0	115.7	E963 F964 S976 D980 I981	E963-P969 WeakPolarHBondContact O-CD 3.47Å; F964-P969 HydrophobicContact CD1-CG 4.24Å; F964-P969 HydrophobicContact CE1-CG 4.22Å; P969-S976 VanDerWaalsContact O-CB 3.3Å; P969-S976 WeakPolarHBondContact O-CB 3.14Å; P969-S976 PolarHBondContact O-OG 3.02Å; P969-D980 HydrophobicContact CB-CB 4.03Å; P969-D980 HydrophobicContact CG-CB 3.94Å; P969-I981 HydrophobicContact CB-CG1 4.39Å
970	L	86	Confident	81.3	Confident	40 Å²	40	45.1 Å²	45.1	21%	0.209	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-98	-7.3	176.6	-59.4	94	0	0	0	113.4	T658 L662 G967 G968 G972 I981 S984 R985 M988	T658-L970 HydrophobicContact CG2-CB 4.27Å; L662-L970 HydrophobicContact CD1-CD2 4.15Å; G967-L970 WeakPolarHBondContact O-CA 3.4Å; G967-L970 WeakPolarHBondContact O-CB 3.05Å; G967-L970 PolarHBondContact O-N 2.76Å; G968-L970 PolarHBondContact O-N 3.49Å; L970-G972 VanDerWaalsContact C-N 3.25Å; L970-G972 PolarHBondContact O-N 2.97Å; L970-I981 HydrophobicContact CD2-CG2 4.32Å; L970-I981 HydrophobicContact CG-CG2 4.23Å; L970-S984 VanDerWaalsContact CD1-OG 3.23Å; L970-S984 WeakPolarHBondContact CD1-OG 3.33Å; L970-R985 HydrophobicContact CD2-CG 4.06Å; L970-M988 HydrophobicContact CD1-CE 3.76Å; L970-M988 HydrophobicContact CD2-CE 4.42Å
971	N	74.4	Confident	81	Confident	52 Å²	52	46.6 Å²	46.6	28%	0.278	27%	0.273	S	S	.	.	S	Bend	trans	-82.7	6.8	-174.8	-67.3	-20.8	0	0	0	113.9	T658 G967 G968 K973	T658-N971 PolarHBondContact OG1-OD1 3.29Å; G967-N971 PolarHBondContact O-N 3.16Å; G967-N971 PolarHBondContact O-OD1 3.42Å; G968-N971 WeakPolarHBondContact O-CB 3.11Å; G968-N971 PolarHBondContact O-N 3.18Å; N971-K973 VanDerWaalsContact C-N 3.3Å; N971-K973 PolarHBondContact O-N 3.03Å
972	G	59.7	Low	80.6	Confident	63 Å²	63	52.9 Å²	52.9	65%	0.649	30%	0.3	S	S	*	.	S	Bend	trans	72.4	10.9	170.5	0	0	0	0	0	116.4	L970	L970-G972 VanDerWaalsContact C-N 3.25Å; L970-G972 PolarHBondContact O-N 2.97Å
973	K	55.2	Low	80.4	Confident	148 Å²	148	55.4 Å²	55.4	64%	0.643	31%	0.312	S	S	*	.	S	Bend	trans	-88.3	118.4	165.2	-79.5	-170	174.1	-173.1	0	109	N971	N971-K973 VanDerWaalsContact C-N 3.3Å; N971-K973 PolarHBondContact O-N 3.03Å
974	G	54.3	Low	80.4	Confident	68 Å²	68	54.1 Å²	54.1	70%	0.701	31%	0.306	S	S	*	.	S	Bend	trans	90	177.7	176.9	0	0	0	0	0	114.6	S976	G974-S976 PolarHBondContact O-N 3.24Å
975	E	53.7	Low	80.1	Confident	190 Å²	190	59.2 Å²	59.2	89%	0.888	33%	0.326	S	S	*	.			trans	-78.6	100.5	169.8	-67.2	-172.4	156.4	0	0	108.7	I977	E975-I977 PolarHBondContact O-N 3.42Å
976	S	61.3	Low	79.7	Confident	48 Å²	48	60.8 Å²	60.8	34%	0.336	34%	0.335	S	S	.	.			trans	-64.9	101.7	-178.1	-60.4	0	0	0	0	112	P969 G974 N978	P969-S976 VanDerWaalsContact O-CB 3.3Å; P969-S976 WeakPolarHBondContact O-CB 3.14Å; P969-S976 PolarHBondContact O-OG 3.02Å; G974-S976 PolarHBondContact O-N 3.24Å; S976-N978 PolarHBondContact O-N 3.31Å
977	I	75.7	Confident	79.6	Confident	37 Å²	37	61.2 Å²	61.2	19%	0.19	34%	0.337	C	S	.	.			trans	-57.8	132.6	173.4	-58.5	106.3	0	0	0	109.7	E946 E975 E979 D980 I981	E946-I977 HydrophobicContact CB-CD1 4.14Å; E946-I977 HydrophobicContact CB-CG1 4.24Å; E946-I977 HydrophobicContact CG-CG2 4.44Å; E975-I977 PolarHBondContact O-N 3.42Å; I977-E979 VanDerWaalsContact C-N 3.28Å; I977-E979 HydrophobicContact CG2-CB 4.11Å; I977-E979 PolarHBondContact O-N 3.17Å; I977-D980 HydrophobicContact CB-CB 4.16Å; I977-D980 PolarHBondContact O-N 3.19Å; I977-D980 VanDerWaalsContact O-N 3.1Å; I977-I981 PolarHBondContact O-N 2.94Å
978	N	81.4	Confident	79.4	Confident	119 Å²	119	61.2 Å²	61.2	64%	0.636	34%	0.337	S	S	*	.	H	α-helix	trans	-61.9	-38.3	-174.8	-71.9	-66.3	0	0	0	112.1	S976 D980 I981 K982	S976-N978 PolarHBondContact O-N 3.31Å; N978-D980 VanDerWaalsContact C-N 3.34Å; N978-I981 PolarHBondContact O-N 3.1Å; N978-K982 WeakPolarHBondContact O-CB 3.39Å; N978-K982 PolarHBondContact O-N 3.05Å
979	E	87.9	Confident	79.1	Confident	99 Å²	99	62.5 Å²	62.5	46%	0.463	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-40	176.1	-73.7	48.1	-126	0	0	111.1	Y943 I977 K982 M983	Y943-E979 WeakPolarHBondContact OH-CB 3.33Å; I977-E979 VanDerWaalsContact C-N 3.28Å; I977-E979 HydrophobicContact CG2-CB 4.11Å; I977-E979 PolarHBondContact O-N 3.17Å; E979-K982 WeakPolarHBondContact O-CB 3.29Å; E979-K982 PolarHBondContact O-N 3.34Å; E979-M983 WeakPolarHBondContact O-CB 3.48Å; E979-M983 PolarHBondContact O-N 3.09Å
980	D	90.7	Very high	78.9	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.016	35%	0.35	C	S	.	.	H	α-helix	trans	-72	-42.1	177.1	-72	-0.6	0	0	0	112.4	Y943 S945 F964 P969 I977 N978 K982 M983 S984	Y943-D980 WeakPolarHBondContact CE1-OD1 3.48Å; Y943-D980 VanDerWaalsContact CZ-OD1 3.29Å; Y943-D980 PolarHBondContact OH-OD1 3.31Å; S945-D980 WeakPolarHBondContact CB-OD2 3.38Å; S945-D980 PolarHBondContact OG-OD2 3.4Å; F964-D980 HydrophobicContact CE1-CB 3.99Å; P969-D980 HydrophobicContact CB-CB 4.03Å; P969-D980 HydrophobicContact CG-CB 3.94Å; I977-D980 HydrophobicContact CB-CB 4.16Å; I977-D980 PolarHBondContact O-N 3.19Å; I977-D980 VanDerWaalsContact O-N 3.1Å; N978-D980 VanDerWaalsContact C-N 3.34Å; D980-K982 PolarHBondContact O-N 2.93Å; D980-M983 PolarHBondContact O-N 3.29Å; D980-S984 WeakPolarHBondContact O-CB 3.42Å; D980-S984 PolarHBondContact O-N 3.01Å
981	I	88.8	Confident	79	Confident	41 Å²	41	65.1 Å²	65.1	21%	0.21	34%	0.342	C	S	.	.	H	α-helix	trans	-55.5	-44.5	170.4	-65.6	163.6	0	0	0	109.9	P969 L970 I977 N978 S984 R985	P969-I981 HydrophobicContact CB-CG1 4.39Å; L970-I981 HydrophobicContact CD2-CG2 4.32Å; L970-I981 HydrophobicContact CG-CG2 4.23Å; I977-I981 PolarHBondContact O-N 2.94Å; N978-I981 PolarHBondContact O-N 3.1Å; I981-S984 PolarHBondContact O-N 3.08Å; I981-R985 HydrophobicContact CG2-CG 4.49Å; I981-R985 WeakPolarHBondContact O-CG 3.26Å; I981-R985 PolarHBondContact O-N 3.36Å
982	K	87.5	Confident	79.4	Confident	133 Å²	133	63.7 Å²	63.7	58%	0.578	33%	0.334	S	S	*	.	H	α-helix	trans	-69.8	-40.1	-177.6	-177	179.9	-177.5	178.2	0	112.3	N978 E979 D980 T986	N978-K982 WeakPolarHBondContact O-CB 3.39Å; N978-K982 PolarHBondContact O-N 3.05Å; E979-K982 WeakPolarHBondContact O-CB 3.29Å; E979-K982 PolarHBondContact O-N 3.34Å; D980-K982 PolarHBondContact O-N 2.93Å; K982-T986 WeakPolarHBondContact O-CB 3.39Å; K982-T986 PolarHBondContact O-N 3.12Å; K982-T986 VanDerWaalsContact O-N 3.08Å; K982-T986 PolarHBondContact O-OG1 2.82Å
983	M	91.3	Very high	80.1	Confident	52 Å²	52	62.5 Å²	62.5	26%	0.256	32%	0.316	S	S	.	.	H	α-helix	trans	-62.1	-49.1	171.7	-176.6	54.7	70.3	0	0	110.6	Y943 F964 E979 D980 R985 T986 M987	Y943-M983 HydrophobicContact CD1-CB 4.32Å; Y943-M983 HydrophobicContact CD1-CE 4.23Å; Y943-M983 HydrophobicContact CD1-CG 3.85Å; Y943-M983 HydrophobicContact CD2-CE 3.74Å; Y943-M983 HydrophobicContact CE1-CB 4.15Å; Y943-M983 HydrophobicContact CE1-CG 4.19Å; Y943-M983 HydrophobicContact CE2-CE 4.34Å; Y943-M983 HydrophobicContact CG-CE 3.67Å; Y943-M983 HydrophobicContact CG-CG 4.24Å; F964-M983 HydrophobicContact CB-CG 4.41Å; F964-M983 HydrophobicContact CD1-CB 3.7Å; F964-M983 HydrophobicContact CD1-CG 3.57Å; F964-M983 HydrophobicContact CE1-CB 3.9Å; F964-M983 HydrophobicContact CE1-CG 3.93Å; F964-M983 HydrophobicContact CG-CG 3.9Å; E979-M983 WeakPolarHBondContact O-CB 3.48Å; E979-M983 PolarHBondContact O-N 3.09Å; D980-M983 PolarHBondContact O-N 3.29Å; M983-R985 PolarHBondContact O-N 3.14Å; M983-T986 WeakPolarHBondContact O-CB 3.32Å; M983-T986 PolarHBondContact O-N 3.47Å; M983-T986 VanDerWaalsContact O-N 3.09Å; M983-M987 HydrophobicContact CG-SD 4.39Å; M983-M987 PolarHBondContact O-N 2.98Å; M983-M987 HydrophobicContact SD-CG 4.12Å; M983-M987 HydrophobicContact SD-SD 4.31Å
984	S	91	Very high	81.5	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.7	-47.5	179.7	178.7	0	0	0	0	112.6	F964 G967 L970 D980 I981 T986 M987 M988	F964-S984 WeakPolarHBondContact O-CA 3.4Å; F964-S984 WeakPolarHBondContact O-CB 3.25Å; F964-S984 PolarHBondContact O-OG 3.18Å; G967-S984 WeakPolarHBondContact CA-OG 3.24Å; L970-S984 VanDerWaalsContact CD1-OG 3.23Å; L970-S984 WeakPolarHBondContact CD1-OG 3.33Å; D980-S984 WeakPolarHBondContact O-CB 3.42Å; D980-S984 PolarHBondContact O-N 3.01Å; I981-S984 PolarHBondContact O-N 3.08Å; S984-T986 VanDerWaalsContact C-N 3.3Å; S984-T986 PolarHBondContact O-N 3.37Å; S984-M987 PolarHBondContact O-N 3.42Å; S984-M988 WeakPolarHBondContact O-CB 3.49Å; S984-M988 WeakPolarHBondContact O-CG 3.3Å; S984-M988 PolarHBondContact O-N 2.96Å
985	R	87.1	Confident	83	Confident	108 Å²	108	53 Å²	53	41%	0.408	26%	0.255	S	S	.	.	H	α-helix	trans	-57.9	-41.5	173.4	-73.2	178	179.9	-80.8	0.5	112.3	Y663 L970 I981 M983 M988 E989	Y663-R985 PolarHBondContact OH-O 2.73Å; L970-R985 HydrophobicContact CD2-CG 4.06Å; I981-R985 HydrophobicContact CG2-CG 4.49Å; I981-R985 WeakPolarHBondContact O-CG 3.26Å; I981-R985 PolarHBondContact O-N 3.36Å; M983-R985 PolarHBondContact O-N 3.14Å; R985-M988 HydrophobicContact CG-CE 4.4Å; R985-E989 WeakPolarHBondContact O-CB 3.37Å; R985-E989 VanDerWaalsContact O-CG 3.31Å; R985-E989 WeakPolarHBondContact O-CG 3.34Å; R985-E989 PolarHBondContact O-N 3.24Å
986	T	86.7	Confident	83.9	Confident	32 Å²	32	46.8 Å²	46.8	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-44.5	178.4	-55.2	0	0	0	0	111.7	K982 M983 S984 E989 Y990	K982-T986 WeakPolarHBondContact O-CB 3.39Å; K982-T986 PolarHBondContact O-N 3.12Å; K982-T986 VanDerWaalsContact O-N 3.08Å; K982-T986 PolarHBondContact O-OG1 2.82Å; M983-T986 WeakPolarHBondContact O-CB 3.32Å; M983-T986 PolarHBondContact O-N 3.47Å; M983-T986 VanDerWaalsContact O-N 3.09Å; S984-T986 VanDerWaalsContact C-N 3.3Å; S984-T986 PolarHBondContact O-N 3.37Å; T986-E989 PolarHBondContact O-N 3.26Å; T986-Y990 HydrophobicContact CG2-CD2 4.27Å; T986-Y990 HydrophobicContact CG2-CE1 4.45Å; T986-Y990 HydrophobicContact CG2-CE2 3.59Å; T986-Y990 WeakPolarHBondContact O-CD2 3.32Å; T986-Y990 PolarHBondContact O-N 2.86Å; T986-Y990 VanDerWaalsContact O-N 3.14Å
987	M	91.3	Very high	83.9	Confident	11 Å²	11	47.4 Å²	47.4	5%	0.054	22%	0.221	C	C	.	.	H	α-helix	trans	-68.8	-44.6	178.1	-69.9	-169.7	74.1	0	0	111.9	F941 E961 F964 I965 M983 S984 E989 Y990 W991	F941-M987 HydrophobicContact CD2-CE 4.03Å; F941-M987 HydrophobicContact CD2-SD 3.86Å; F941-M987 HydrophobicContact CE2-CE 4.29Å; F941-M987 HydrophobicContact CE2-SD 3.59Å; F941-M987 VanDerWaalsContact CE2-SD 3.59Å; E961-M987 HydrophobicContact CB-CE 4.13Å; E961-M987 HydrophobicContact CG-CE 4.45Å; F964-M987 HydrophobicContact CB-CB 4.36Å; F964-M987 HydrophobicContact CB-CG 4.31Å; F964-M987 HydrophobicContact CB-SD 3.48Å; F964-M987 WeakPolarHBondContact CB-SD 3.19Å; F964-M987 HydrophobicContact CG-SD 4.21Å; I965-M987 HydrophobicContact CD1-CE 3.87Å; I965-M987 HydrophobicContact CG1-CB 4.43Å; I965-M987 HydrophobicContact CG1-CE 3.62Å; M983-M987 HydrophobicContact CG-SD 4.39Å; M983-M987 PolarHBondContact O-N 2.98Å; M983-M987 HydrophobicContact SD-CG 4.12Å; M983-M987 HydrophobicContact SD-SD 4.31Å; S984-M987 PolarHBondContact O-N 3.42Å; M987-E989 VanDerWaalsContact C-N 3.3Å; M987-E989 PolarHBondContact O-N 2.82Å; M987-Y990 PolarHBondContact O-N 2.91Å; M987-Y990 VanDerWaalsContact O-N 3.15Å; M987-W991 HydrophobicContact CE-CH2 3.67Å; M987-W991 HydrophobicContact CE-CZ2 4.43Å; M987-W991 HydrophobicContact CE-CZ3 3.76Å; M987-W991 PolarHBondContact O-N 2.6Å
988	M	87.5	Confident	82.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-38.8	174.5	-69.2	-170.1	-67.9	0	0	112.3	T658 L659 L662 Y663 I965 L970 S984 R985 N992	T658-M988 HydrophobicContact CG2-CE 4.38Å; T658-M988 HydrophobicContact CG2-SD 4.18Å; L659-M988 HydrophobicContact CD2-CB 4Å; L659-M988 HydrophobicContact CD2-CG 3.71Å; L659-M988 HydrophobicContact CD2-SD 3.98Å; L659-M988 HydrophobicContact CG-CG 4.45Å; L659-M988 HydrophobicContact CG-SD 4.28Å; L662-M988 HydrophobicContact CD1-CE 3.84Å; Y663-M988 HydrophobicContact CD2-CB 4.21Å; Y663-M988 HydrophobicContact CE2-CB 3.39Å; Y663-M988 HydrophobicContact CE2-CE 4.06Å; Y663-M988 HydrophobicContact CE2-CG 4.21Å; Y663-M988 HydrophobicContact CE2-SD 3.89Å; I965-M988 VanDerWaalsContact O-CG 3.29Å; I965-M988 WeakPolarHBondContact O-CG 3.31Å; L970-M988 HydrophobicContact CD1-CE 3.76Å; L970-M988 HydrophobicContact CD2-CE 4.42Å; S984-M988 WeakPolarHBondContact O-CB 3.49Å; S984-M988 WeakPolarHBondContact O-CG 3.3Å; S984-M988 PolarHBondContact O-N 2.96Å; R985-M988 HydrophobicContact CG-CE 4.4Å; M988-N992 WeakPolarHBondContact O-CB 3.3Å; M988-N992 PolarHBondContact O-N 3.45Å
989	E	80.6	Confident	81.6	Confident	53 Å²	53	48.6 Å²	48.6	25%	0.248	22%	0.224	C	C	.	.	H	α-helix	trans	-60.5	-43.8	173.5	-83	171.8	-154.7	0	0	112.2	Y663 R985 T986 M987 S993	Y663-E989 HydrophobicContact CE1-CG 3.79Å; R985-E989 WeakPolarHBondContact O-CB 3.37Å; R985-E989 VanDerWaalsContact O-CG 3.31Å; R985-E989 WeakPolarHBondContact O-CG 3.34Å; R985-E989 PolarHBondContact O-N 3.24Å; T986-E989 PolarHBondContact O-N 3.26Å; M987-E989 VanDerWaalsContact C-N 3.3Å; M987-E989 PolarHBondContact O-N 2.82Å; E989-S993 WeakPolarHBondContact O-CB 3.37Å; E989-S993 PolarHBondContact O-N 2.77Å
990	Y	84.9	Confident	80.7	Confident	102 Å²	102	45.6 Å²	45.6	40%	0.4	21%	0.212	S	C	.	.	H	α-helix	trans	-68.5	-45.8	177.4	-63.6	-25.3	0	0	0	112.8	T986 M987 S993 F994 Y1443	T986-Y990 HydrophobicContact CG2-CD2 4.27Å; T986-Y990 HydrophobicContact CG2-CE1 4.45Å; T986-Y990 HydrophobicContact CG2-CE2 3.59Å; T986-Y990 WeakPolarHBondContact O-CD2 3.32Å; T986-Y990 PolarHBondContact O-N 2.86Å; T986-Y990 VanDerWaalsContact O-N 3.14Å; M987-Y990 PolarHBondContact O-N 2.91Å; M987-Y990 VanDerWaalsContact O-N 3.15Å; Y990-S993 PolarHBondContact O-N 3.23Å; Y990-F994 WeakPolarHBondContact O-CB 3.44Å; Y990-F994 PolarHBondContact O-N 2.93Å; Y990-Y1443 HydrophobicContact CE1-CE2 4.47Å
991	W	88.8	Confident	80.2	Confident	9 Å²	9	51.6 Å²	51.6	3%	0.034	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-45.5	176.7	-94.4	-119.8	0	0	0	111	M720 I746 Q748 L842 F939 I965 M987 S993 F994 I995	M720-W991 PolarHBondContact SD-NE1 3.01Å; I746-W991 HydrophobicContact CD1-CG 4.47Å; I746-W991 HydrophobicContact CG2-CZ2 4.46Å; Q748-W991 HydrophobicContact CG-CZ2 4.34Å; L842-W991 HydrophobicContact CD2-CD2 3.89Å; L842-W991 HydrophobicContact CD2-CE3 4.05Å; L842-W991 HydrophobicContact CD2-CG 4.46Å; L842-W991 HydrophobicContact CD2-CH2 4.21Å; L842-W991 HydrophobicContact CD2-CZ2 4.03Å; L842-W991 HydrophobicContact CD2-CZ3 4.22Å; F939-W991 AromaticContact CD1-CH2 3.97Å; F939-W991 HydrophobicContact CD1-CH2 3.97Å; F939-W991 AromaticContact CE1-CH2 3.78Å; F939-W991 HydrophobicContact CE1-CH2 3.78Å; F939-W991 AromaticContact CE1-CZ2 4Å; F939-W991 HydrophobicContact CE1-CZ2 4Å; F939-W991 HydrophobicContact CG-CH2 4.47Å; F939-W991 HydrophobicContact CZ-CH2 4.13Å; F939-W991 HydrophobicContact CZ-CZ2 4.36Å; I965-W991 HydrophobicContact CD1-CD2 4.39Å; I965-W991 HydrophobicContact CD1-CH2 4Å; I965-W991 HydrophobicContact CD1-CZ2 3.36Å; I965-W991 HydrophobicContact CG1-CD2 4.17Å; I965-W991 HydrophobicContact CG1-CH2 4.38Å; I965-W991 HydrophobicContact CG1-CZ2 3.98Å; I965-W991 HydrophobicContact CG2-CD2 4.44Å; I965-W991 HydrophobicContact CG2-CG 4.12Å; M987-W991 HydrophobicContact CE-CH2 3.67Å; M987-W991 HydrophobicContact CE-CZ2 4.43Å; M987-W991 HydrophobicContact CE-CZ3 3.76Å; M987-W991 PolarHBondContact O-N 2.6Å; W991-S993 PolarHBondContact O-N 2.95Å; W991-F994 PolarHBondContact O-N 2.85Å; W991-F994 VanDerWaalsContact O-N 3.14Å; W991-I995 PolarHBondContact O-N 2.95Å
992	N	81.1	Confident	80	Confident	22 Å²	22	53.2 Å²	53.2	12%	0.118	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-40.5	174.3	176.7	62.1	0	0	0	112.3	Y663 T665 M988 F994 I995 R996	Y663-N992 HydrophobicContact CD1-CB 3.82Å; Y663-N992 WeakPolarHBondContact CD1-ND2 3.19Å; Y663-N992 HydrophobicContact CG-CB 3.95Å; T665-N992 PolarHBondContact OG1-OD1 3.16Å; M988-N992 WeakPolarHBondContact O-CB 3.3Å; M988-N992 PolarHBondContact O-N 3.45Å; N992-F994 PolarHBondContact O-N 2.79Å; N992-I995 WeakPolarHBondContact O-CG1 3.08Å; N992-R996 VanDerWaalsContact O-CB 3.26Å; N992-R996 WeakPolarHBondContact O-CB 3.31Å; N992-R996 VanDerWaalsContact O-CG 3.29Å; N992-R996 WeakPolarHBondContact O-CG 3.2Å; N992-R996 PolarHBondContact O-N 2.84Å; N992-R996 VanDerWaalsContact O-N 3.08Å; N992-R996 WeakPolarHBondContact OD1-CD 3.5Å; N992-R996 PolarHBondContact OD1-NE 3.17Å
993	S	75.8	Confident	80	Confident	38 Å²	38	49.7 Å²	49.7	27%	0.266	23%	0.227	S	C	.	.	H	α-helix	trans	-66.2	-25.8	175.2	-174.5	0	0	0	0	112.8	E989 Y990 W991 H997	E989-S993 WeakPolarHBondContact O-CB 3.37Å; E989-S993 PolarHBondContact O-N 2.77Å; Y990-S993 PolarHBondContact O-N 3.23Å; W991-S993 PolarHBondContact O-N 2.95Å; S993-H997 WeakPolarHBondContact O-CB 3.32Å; S993-H997 PolarHBondContact O-N 3.05Å
994	F	84.2	Confident	79.8	Confident	12 Å²	12	49.9 Å²	49.9	5%	0.053	23%	0.229	C	C	.	.	H	α-helix	trans	-79.6	-50.5	176.2	178.9	-96.2	0	0	0	112	T718 A745 I746 L842 Y937 Y990 W991 N992 R996 H997	T718-F994 HydrophobicContact CG2-CE1 4.35Å; A745-F994 WeakPolarHBondContact O-CE1 3.24Å; A745-F994 WeakPolarHBondContact O-CZ 3.49Å; I746-F994 HydrophobicContact CD1-CD1 3.86Å; I746-F994 HydrophobicContact CD1-CE1 4.21Å; I746-F994 HydrophobicContact CG1-CD1 3.77Å; I746-F994 HydrophobicContact CG1-CE1 3.61Å; L842-F994 HydrophobicContact CB-CD1 4.02Å; L842-F994 HydrophobicContact CB-CD2 3.92Å; L842-F994 HydrophobicContact CB-CE1 3.92Å; L842-F994 HydrophobicContact CB-CE2 3.82Å; L842-F994 HydrophobicContact CB-CG 4.02Å; L842-F994 HydrophobicContact CB-CZ 3.82Å; L842-F994 HydrophobicContact CD2-CB 4.41Å; L842-F994 HydrophobicContact CD2-CD1 4.47Å; L842-F994 HydrophobicContact CD2-CG 4.31Å; Y937-F994 HydrophobicContact CD2-CD2 4.03Å; Y937-F994 AromaticContact CD2-CE2 3.84Å; Y937-F994 HydrophobicContact CD2-CE2 3.84Å; Y937-F994 HydrophobicContact CE2-CD2 4.22Å; Y937-F994 HydrophobicContact CE2-CE2 4.15Å; Y990-F994 WeakPolarHBondContact O-CB 3.44Å; Y990-F994 PolarHBondContact O-N 2.93Å; W991-F994 PolarHBondContact O-N 2.85Å; W991-F994 VanDerWaalsContact O-N 3.14Å; N992-F994 PolarHBondContact O-N 2.79Å; F994-R996 PolarHBondContact O-N 3.39Å; F994-H997 WeakPolarHBondContact O-CB 3.48Å; F994-H997 PolarHBondContact O-N 2.82Å
995	I	84.7	Confident	79.4	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-29.8	177.7	70.5	-175.2	0	0	0	112.2	P634 L636 T665 T718 I746 W991 N992	P634-I995 HydrophobicContact CB-CD1 4.41Å; P634-I995 HydrophobicContact CB-CG1 4.33Å; P634-I995 HydrophobicContact CG-CD1 4.35Å; P634-I995 HydrophobicContact CG-CG1 4.47Å; L636-I995 HydrophobicContact CB-CD1 4.47Å; L636-I995 HydrophobicContact CD1-CG2 4.18Å; T665-I995 HydrophobicContact CG2-CD1 3.46Å; T665-I995 VanDerWaalsContact CG2-CD1 3.46Å; T718-I995 HydrophobicContact CG2-CG2 3.79Å; I746-I995 HydrophobicContact CD1-CG2 4.22Å; W991-I995 PolarHBondContact O-N 2.95Å; N992-I995 WeakPolarHBondContact O-CG1 3.08Å
996	R	73.6	Confident	79.5	Confident	60 Å²	60	47.9 Å²	47.9	23%	0.226	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-7.8	173.4	-67.5	-177.5	-177.4	-77.7	-9.3	113.7	P634 Y663 G664 T665 N992 F994 G998	P634-R996 HydrophobicContact CG-CG 4.05Å; P634-R996 VanDerWaalsContact CG-CZ 3.48Å; Y663-R996 PolarHBondContact O-NH2 3.13Å; G664-R996 VanDerWaalsContact C-NH2 3.3Å; G664-R996 PolarHBondContact O-NH2 2.84Å; T665-R996 PolarHBondContact OG1-NH2 3.5Å; N992-R996 VanDerWaalsContact O-CB 3.26Å; N992-R996 WeakPolarHBondContact O-CB 3.31Å; N992-R996 VanDerWaalsContact O-CG 3.29Å; N992-R996 WeakPolarHBondContact O-CG 3.2Å; N992-R996 PolarHBondContact O-N 2.84Å; N992-R996 VanDerWaalsContact O-N 3.08Å; N992-R996 WeakPolarHBondContact OD1-CD 3.5Å; N992-R996 PolarHBondContact OD1-NE 3.17Å; F994-R996 PolarHBondContact O-N 3.39Å; R996-G998 PolarHBondContact O-N 2.93Å
997	H	62.3	Low	79.6	Confident	61 Å²	61	48.1 Å²	48.1	28%	0.282	24%	0.236	S	C	.	.			trans	-57.5	99.2	-169.6	-166.3	64.1	0	0	0	110.9	Y744 Y937 S993 F994	Y744-H997 PolarHBondContact OH-O 3.42Å; Y937-H997 PolarHBondContact OH-NE2 2.82Å; S993-H997 WeakPolarHBondContact O-CB 3.32Å; S993-H997 PolarHBondContact O-N 3.05Å; F994-H997 WeakPolarHBondContact O-CB 3.48Å; F994-H997 PolarHBondContact O-N 2.82Å
998	G	52.6	Low	79.7	Confident	15 Å²	15	47.6 Å²	47.6	16%	0.155	23%	0.234	C	C	.	.			trans	-102.1	137.9	-171.4	0	0	0	0	0	111	R996 V1000	R996-G998 PolarHBondContact O-N 2.93Å; G998-V1000 PolarHBondContact O-N 2.66Å
999	K	55.1	Low	79.9	Confident	167 Å²	167	47.7 Å²	47.7	73%	0.726	24%	0.235	S	C	*	.			trans	-58.4	133.3	151.6	-66.5	-178.8	-179.2	177.4	0	107	L1085	K999-L1085 VanDerWaalsContact O-CB 3.27Å; K999-L1085 WeakPolarHBondContact O-CB 3.22Å; K999-L1085 PolarHBondContact O-N 2.89Å
1000	V	68.3	Low	80.3	Confident	35 Å²	35	45.7 Å²	45.7	21%	0.212	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132.6	175.9	167.9	0	0	0	0	107.6	G998 E1002 W1082 T1083 P1114 A1117 A1118	G998-V1000 PolarHBondContact O-N 2.66Å; V1000-E1002 PolarHBondContact O-N 3.08Å; V1000-W1082 HydrophobicContact CG1-CB 3.85Å; V1000-T1083 CarbonylContact C-O 3.59Å; V1000-T1083 WeakPolarHBondContact CA-O 3.07Å; V1000-P1114 HydrophobicContact CG1-CB 4.18Å; V1000-A1117 HydrophobicContact CG1-CB 4.08Å; V1000-A1117 HydrophobicContact CG2-CB 4.05Å; V1000-A1118 HydrophobicContact CG2-CB 3.79Å
1001	Y	80.4	Confident	80.5	Confident	129 Å²	129	42.4 Å²	42.4	51%	0.506	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	118	165.6	-68.1	-63.6	0	0	0	108.5	F1003 W1082 T1083 L1085	Y1001-F1003 VanDerWaalsContact CB-CE2 3.43Å; Y1001-F1003 HydrophobicContact CG-CE2 4.35Å; Y1001-F1003 HydrophobicContact CG-CZ 4.39Å; Y1001-W1082 WeakPolarHBondContact O-CA 3.46Å; Y1001-T1083 HydrophobicContact CD2-CG2 4.49Å; Y1001-T1083 PolarHBondContact N-O 2.8Å; Y1001-T1083 PolarHBondContact O-N 2.83Å; Y1001-L1085 HydrophobicContact CE2-CD1 3.58Å; Y1001-L1085 WeakPolarHBondContact OH-CD1 3.47Å
1002	E	85.6	Confident	80.5	Confident	75 Å²	75	42.1 Å²	42.1	35%	0.35	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	108.6	174.5	172.6	163.2	-123.4	0	0	108.3	V1000 L1004 W1082 R1112	V1000-E1002 PolarHBondContact O-N 3.08Å; E1002-L1004 HydrophobicContact CG-CD1 4.01Å; E1002-L1004 HydrophobicContact CG-CD2 3.74Å; E1002-L1004 HydrophobicContact CG-CG 3.72Å; E1002-W1082 PolarHBondContact OE1-NE1 3.23Å; E1002-R1112 IonicContact OE1-CZ 3.67Å; E1002-R1112 IonicContact OE1-NE 2.71Å; E1002-R1112 IonicContact OE1-NH2 3.77Å; E1002-R1112 PolarHBondContact OE1-NH2 3.14Å; E1002-R1112 IonicContact OE2-NH2 3.22Å; E1002-R1112 PolarHBondContact OE2-NH2 2.77Å
1003	F	88.1	Confident	80.9	Confident	59 Å²	59	44.2 Å²	44.2	26%	0.259	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.8	173.4	-55.5	-92.7	0	0	0	108.3	Y1001 I1006 N1080 I1081 T1083 F1166	Y1001-F1003 VanDerWaalsContact CB-CE2 3.43Å; Y1001-F1003 HydrophobicContact CG-CE2 4.35Å; Y1001-F1003 HydrophobicContact CG-CZ 4.39Å; F1003-I1006 HydrophobicContact CB-CD1 3.63Å; F1003-I1006 HydrophobicContact CB-CG1 4.21Å; F1003-I1006 HydrophobicContact CG-CD1 4.43Å; F1003-N1080 CarbonylContact O-C 3.57Å; F1003-N1080 WeakPolarHBondContact O-CA 3.42Å; F1003-I1081 HydrophobicContact CB-CB 4.39Å; F1003-I1081 HydrophobicContact CD2-CB 4.39Å; F1003-I1081 PolarHBondContact N-O 2.83Å; F1003-I1081 PolarHBondContact O-N 2.79Å; F1003-T1083 HydrophobicContact CD2-CG2 4.49Å; F1003-T1083 HydrophobicContact CE2-CG2 3.87Å; F1003-F1166 HydrophobicContact CD1-CE1 4.16Å; F1003-F1166 AromaticContact CD2-CD1 3.82Å; F1003-F1166 HydrophobicContact CD2-CD1 3.82Å; F1003-F1166 AromaticContact CD2-CE1 3.84Å; F1003-F1166 HydrophobicContact CD2-CE1 3.84Å; F1003-F1166 HydrophobicContact CE1-CE1 4.19Å; F1003-F1166 AromaticContact CE2-CD1 3.63Å; F1003-F1166 HydrophobicContact CE2-CD1 3.63Å; F1003-F1166 AromaticContact CE2-CE1 3.86Å; F1003-F1166 HydrophobicContact CE2-CE1 3.86Å; F1003-F1166 HydrophobicContact CG-CD1 4.44Å; F1003-F1166 AromaticContact CG-CE1 3.99Å; F1003-F1166 HydrophobicContact CG-CE1 3.99Å; F1003-F1166 HydrophobicContact CZ-CD1 4.1Å; F1003-F1166 HydrophobicContact CZ-CE1 4.04Å
1004	L	85.7	Confident	81.5	Confident	57 Å²	57	43.9 Å²	43.9	30%	0.298	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.8	-175.5	-57.7	177.8	0	0	0	111	E1002 I1006 N1080 W1082	E1002-L1004 HydrophobicContact CG-CD1 4.01Å; E1002-L1004 HydrophobicContact CG-CD2 3.74Å; E1002-L1004 HydrophobicContact CG-CG 3.72Å; L1004-I1006 PolarHBondContact O-N 3.08Å; L1004-N1080 WeakPolarHBondContact CA-OD1 3.15Å; L1004-N1080 HydrophobicContact CD2-CB 3.86Å; L1004-W1082 HydrophobicContact CD2-CZ2 4.03Å
1005	G	83.3	Confident	81.7	Confident	36 Å²	36	49.1 Å²	49.1	37%	0.371	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	67.2	32.3	173.9	0	0	0	0	0	115	P1007 L1079 N1080	G1005-P1007 WeakPolarHBondContact O-CD 3.21Å; G1005-L1079 PolarHBondContact N-O 2.85Å; G1005-N1080 PolarHBondContact N-OD1 3.42Å
1006	I	88.7	Confident	82	Confident	29 Å²	29	52.7 Å²	52.7	15%	0.149	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	118.9	175.3	-62.1	163.3	0	0	0	108.5	F1003 L1004 Y1008 T1078 L1079 I1081 W1158 F1166	F1003-I1006 HydrophobicContact CB-CD1 3.63Å; F1003-I1006 HydrophobicContact CB-CG1 4.21Å; F1003-I1006 HydrophobicContact CG-CD1 4.43Å; L1004-I1006 PolarHBondContact O-N 3.08Å; I1006-Y1008 PolarHBondContact O-N 3.29Å; I1006-T1078 CarbonylContact O-C 3.57Å; I1006-T1078 WeakPolarHBondContact O-CA 3.4Å; I1006-L1079 HydrophobicContact CB-CD1 3.96Å; I1006-L1079 HydrophobicContact CD1-CD1 4.07Å; I1006-L1079 HydrophobicContact CG2-CD1 4.35Å; I1006-L1079 PolarHBondContact N-O 3.09Å; I1006-L1079 PolarHBondContact O-N 3.17Å; I1006-I1081 HydrophobicContact CD1-CB 4.42Å; I1006-I1081 HydrophobicContact CD1-CD1 3.6Å; I1006-I1081 HydrophobicContact CD1-CG1 3.9Å; I1006-W1158 HydrophobicContact CD1-CH2 4.5Å; I1006-W1158 HydrophobicContact CG2-CH2 3.95Å; I1006-W1158 HydrophobicContact CG2-CZ2 3.61Å; I1006-F1166 HydrophobicContact CD1-CE1 4.12Å; I1006-F1166 HydrophobicContact CD1-CZ 4.04Å
1007	P	90.1	Very high	82.8	Confident	37 Å²	37	50.1 Å²	50.1	24%	0.24	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	126.2	176.5	29.8	-33.5	0	0	0	110.3	G1005 A1024 F1031 T1078	G1005-P1007 WeakPolarHBondContact O-CD 3.21Å; P1007-A1024 HydrophobicContact CB-CB 4.1Å; P1007-F1031 HydrophobicContact CG-CE1 4.12Å; P1007-F1031 HydrophobicContact CG-CE2 4.46Å; P1007-F1031 HydrophobicContact CG-CZ 3.84Å; P1007-T1078 HydrophobicContact CB-CG2 4.46Å
1008	Y	93	Very high	84.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.257	C	S	.	.			trans	-104.5	-33	173.1	71.1	-98.3	0	0	0	111.5	I1006 A1024 L1077 L1079 N1128 D1151 L1154 A1155	I1006-Y1008 PolarHBondContact O-N 3.29Å; Y1008-A1024 PolarHBondContact O-N 3.45Å; Y1008-L1077 WeakPolarHBondContact CD1-O 3.46Å; Y1008-L1077 HydrophobicContact CE1-CB 4.25Å; Y1008-L1077 HydrophobicContact CE2-CB 4.37Å; Y1008-L1077 PolarHBondContact N-O 2.86Å; Y1008-L1079 HydrophobicContact CD1-CB 4.31Å; Y1008-L1079 HydrophobicContact CD1-CD2 3.91Å; Y1008-L1079 HydrophobicContact CD1-CG 4.14Å; Y1008-L1079 HydrophobicContact CG-CD2 4.21Å; Y1008-N1128 WeakPolarHBondContact CE1-O 3.3Å; Y1008-N1128 PolarHBondContact OH-O 2.69Å; Y1008-D1151 WeakPolarHBondContact CE2-O 3.32Å; Y1008-D1151 PolarHBondContact OH-O 3.5Å; Y1008-D1151 VanDerWaalsContact OH-O 3.11Å; Y1008-L1154 HydrophobicContact CD2-CB 4.27Å; Y1008-L1154 HydrophobicContact CD2-CD2 4.07Å; Y1008-L1154 HydrophobicContact CD2-CG 4.02Å; Y1008-L1154 HydrophobicContact CE2-CB 4.08Å; Y1008-L1154 HydrophobicContact CE2-CD2 4.09Å; Y1008-L1154 HydrophobicContact CE2-CG 4.22Å; Y1008-A1155 HydrophobicContact CD1-CB 4.09Å; Y1008-A1155 HydrophobicContact CD2-CB 3.89Å; Y1008-A1155 HydrophobicContact CE1-CB 3.92Å; Y1008-A1155 HydrophobicContact CE2-CB 3.74Å; Y1008-A1155 HydrophobicContact CG-CB 4.08Å
1009	G	90.1	Very high	86.1	Confident	2 Å²	2	49.5 Å²	49.5	2%	0.021	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-112.9	156.9	177.5	0	0	0	0	0	113	E1022 L1077	G1009-E1022 CarbonylContact C-O 3.54Å; G1009-E1022 WeakPolarHBondContact CA-O 3.35Å; G1009-L1077 PolarHBondContact N-O 2.85Å
1010	S	89.6	Confident	87.9	Confident	12 Å²	12	44.2 Å²	44.2	8%	0.084	25%	0.247	C	C	.	.			trans	-69.6	133.8	173.3	73.6	0	0	0	0	110.8	P1012 K1016 E1022	S1010-P1012 WeakPolarHBondContact O-CD 3.39Å; S1010-P1012 VanDerWaalsContact O-N 3.14Å; S1010-K1016 PolarHBondContact OG-NZ 2.91Å; S1010-E1022 PolarHBondContact N-O 3.17Å
1011	A	88.5	Confident	89	Confident	32 Å²	32	43.5 Å²	43.5	26%	0.264	25%	0.245	S	C	.	.			trans	-40.3	113.2	179.1	0	0	0	0	0	113.3	V1013 D1075	A1011-V1013 HydrophobicContact CB-CG1 4.3Å; A1011-V1013 HydrophobicContact CB-CG2 4.19Å; A1011-V1013 PolarHBondContact O-N 2.86Å; A1011-D1075 WeakPolarHBondContact CA-OD1 3.06Å; A1011-D1075 HydrophobicContact CB-CB 4.29Å; A1011-D1075 WeakPolarHBondContact CB-OD1 3.3Å
1012	P	90.1	Very high	89.4	Confident	4 Å²	4	43.3 Å²	43.3	3%	0.026	25%	0.249	C	C	.	.			trans	-83.3	59.8	-178.5	36.1	-36.8	0	0	0	110.2	S1010 R1017 E1074 L1077 R1130	S1010-P1012 WeakPolarHBondContact O-CD 3.39Å; S1010-P1012 VanDerWaalsContact O-N 3.14Å; P1012-R1017 WeakPolarHBondContact O-CA 3.38Å; P1012-R1017 VanDerWaalsContact O-CB 3.28Å; P1012-R1017 WeakPolarHBondContact O-CB 3.36Å; P1012-E1074 WeakPolarHBondContact CD-O 3.23Å; P1012-E1074 VanDerWaalsContact CG-O 3.31Å; P1012-E1074 WeakPolarHBondContact CG-O 3.37Å; P1012-L1077 HydrophobicContact CB-CD1 4.26Å; P1012-L1077 HydrophobicContact CG-CD1 3.81Å; P1012-L1077 HydrophobicContact CG-CD2 4.49Å; P1012-L1077 HydrophobicContact CG-CG 3.84Å; P1012-R1130 HydrophobicContact CG-CG 4.3Å
1013	V	89.9	Confident	89.3	Confident	66 Å²	66	44.5 Å²	44.5	40%	0.4	25%	0.253	S	S	.	.			trans	-103.5	149.1	-176.6	-63.8	0	0	0	0	111.6	A1011 D1015 K1016 E1074 D1075	A1011-V1013 HydrophobicContact CB-CG1 4.3Å; A1011-V1013 HydrophobicContact CB-CG2 4.19Å; A1011-V1013 PolarHBondContact O-N 2.86Å; V1013-D1015 PolarHBondContact O-N 2.94Å; V1013-D1015 VanDerWaalsContact O-N 3.11Å; V1013-K1016 PolarHBondContact O-N 3.33Å; V1013-E1074 HydrophobicContact CG1-CB 3.91Å; V1013-D1075 HydrophobicContact CG1-CB 4.34Å
1014	G	87.5	Confident	88.6	Confident	30 Å²	30	43.2 Å²	43.2	31%	0.309	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	52.4	-115.4	174.7	0	0	0	0	0	113.1	K1016 R1017	G1014-K1016 PolarHBondContact O-N 2.95Å; G1014-R1017 WeakPolarHBondContact O-CB 3.5Å; G1014-R1017 WeakPolarHBondContact O-CD 3.49Å; G1014-R1017 WeakPolarHBondContact O-CG 3.49Å; G1014-R1017 PolarHBondContact O-N 3.38Å; G1014-R1017 VanDerWaalsContact O-N 3.12Å
1015	D	88.3	Confident	87.3	Confident	122 Å²	122	44.3 Å²	44.3	65%	0.652	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-62.9	-20.4	-179.3	-87.4	-54.7	0	0	0	115.2	V1013 K1245	V1013-D1015 PolarHBondContact O-N 2.94Å; V1013-D1015 VanDerWaalsContact O-N 3.11Å; D1015-K1245 WeakPolarHBondContact O-CE 3.32Å; D1015-K1245 PolarHBondContact O-NZ 3.32Å; D1015-K1245 WeakPolarHBondContact OD1-CD 3.41Å; D1015-K1245 IonicContact OD1-NZ 2.84Å; D1015-K1245 PolarHBondContact OD1-NZ 2.99Å; D1015-K1245 VanDerWaalsContact OD1-NZ 3.14Å
1016	K	90.2	Very high	85.8	Confident	79 Å²	79	52 Å²	52	34%	0.343	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-88.7	-11.7	175.5	-72	-164.2	167.2	-160	0	114.2	S1010 V1013 G1014 F1018 L1019 E1022	S1010-K1016 PolarHBondContact OG-NZ 2.91Å; V1013-K1016 PolarHBondContact O-N 3.33Å; G1014-K1016 PolarHBondContact O-N 2.95Å; K1016-F1018 VanDerWaalsContact C-N 3.3Å; K1016-F1018 PolarHBondContact O-N 3.03Å; K1016-L1019 PolarHBondContact O-N 3.25Å; K1016-E1022 IonicContact NZ-OE2 3.64Å; K1016-E1022 PolarHBondContact NZ-OE2 3.14Å
1017	R	91.8	Very high	83.9	Confident	6 Å²	6	57.1 Å²	57.1	2%	0.023	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-28.2	-161.9	86.3	-158	-50.1	-170.4	18.4	116.9	P1012 G1014 E1074 R1130 M1244 Q1247	P1012-R1017 WeakPolarHBondContact O-CA 3.38Å; P1012-R1017 VanDerWaalsContact O-CB 3.28Å; P1012-R1017 WeakPolarHBondContact O-CB 3.36Å; G1014-R1017 WeakPolarHBondContact O-CB 3.5Å; G1014-R1017 WeakPolarHBondContact O-CD 3.49Å; G1014-R1017 WeakPolarHBondContact O-CG 3.49Å; G1014-R1017 PolarHBondContact O-N 3.38Å; G1014-R1017 VanDerWaalsContact O-N 3.12Å; R1017-E1074 WeakPolarHBondContact CB-OE1 3.19Å; R1017-E1074 IonicContact CZ-OE1 2.76Å; R1017-E1074 VanDerWaalsContact CZ-OE1 3.22Å; R1017-E1074 IonicContact CZ-OE2 2.66Å; R1017-E1074 IonicContact NE-OE1 3.89Å; R1017-E1074 PolarHBondContact NE-OE1 3.34Å; R1017-E1074 IonicContact NE-OE2 3.21Å; R1017-E1074 IonicContact NH2-OE1 3.44Å; R1017-E1074 PolarHBondContact NH2-OE1 2.9Å; R1017-E1074 IonicContact NH2-OE2 3.13Å; R1017-E1074 PolarHBondContact NH2-OE2 2.79Å; R1017-R1130 PolarHBondContact O-NH1 3.2Å; R1017-M1244 PolarHBondContact NH1-O 3.04Å; R1017-Q1247 PolarHBondContact NH1-O 3.27Å; R1017-Q1247 PolarHBondContact NH2-O 2.96Å
1018	F	92.9	Very high	81.1	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.018	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	14.4	178.4	-52.6	-59.9	0	0	0	113.5	K1016 F1134 A1143 I1241 M1244 K1245 I1252	K1016-F1018 VanDerWaalsContact C-N 3.3Å; K1016-F1018 PolarHBondContact O-N 3.03Å; F1018-F1134 HydrophobicContact CE1-CD1 4.05Å; F1018-F1134 HydrophobicContact CE1-CE1 4.48Å; F1018-A1143 HydrophobicContact CB-CB 3.81Å; F1018-I1241 HydrophobicContact CD2-CD1 4.1Å; F1018-I1241 HydrophobicContact CD2-CG2 4.41Å; F1018-M1244 HydrophobicContact CE2-CB 3.74Å; F1018-M1244 HydrophobicContact CZ-CB 4.08Å; F1018-M1244 HydrophobicContact CZ-CE 4.29Å; F1018-K1245 HydrophobicContact CD2-CG 4.06Å; F1018-K1245 HydrophobicContact CE2-CG 4.21Å; F1018-I1252 HydrophobicContact CZ-CD1 4.29Å
1019	L	92	Very high	78.4	Confident	58 Å²	58	67.3 Å²	67.3	30%	0.304	37%	0.371	S	S	.	.	S	Bend	trans	-107.9	158.7	179	-60.8	179	0	0	0	110.6	K1016 R1130	K1016-L1019 PolarHBondContact O-N 3.25Å; L1019-R1130 VanDerWaalsContact O-CZ 3.31Å; L1019-R1130 PolarHBondContact O-NH1 3.2Å; L1019-R1130 PolarHBondContact O-NH2 2.94Å
1020	P	91.2	Very high	75.8	Confident	56 Å²	56	79.1 Å²	79.1	36%	0.364	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-55.7	141.2	168.2	-23.2	34.5	0	0	0	111	P1144 V1147 L1150 L1277	P1020-P1144 HydrophobicContact CG-CG 4.16Å; P1020-V1147 HydrophobicContact CG-CG1 4.21Å; P1020-L1150 HydrophobicContact CB-CD1 4.3Å; P1020-L1150 HydrophobicContact CG-CD1 4.1Å; P1020-L1277 HydrophobicContact CG-CD2 4.01Å
1021	A	91.3	Very high	73.6	Confident	20 Å²	20	85.6 Å²	85.6	17%	0.165	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-80.3	146.2	176.5	0	0	0	0	0	111.5	L1077 L1154	A1021-L1077 HydrophobicContact CB-CD1 3.36Å; A1021-L1154 HydrophobicContact CB-CD2 3.87Å
1022	E	88.7	Confident	70.9	Confident	126 Å²	126	88.1 Å²	88.1	59%	0.589	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-92.9	163.1	168	-63	164.2	137.9	0	0	108.8	G1009 S1010 K1016	G1009-E1022 CarbonylContact C-O 3.54Å; G1009-E1022 WeakPolarHBondContact CA-O 3.35Å; S1010-E1022 PolarHBondContact N-O 3.17Å; K1016-E1022 IonicContact NZ-OE2 3.64Å; K1016-E1022 PolarHBondContact NZ-OE2 3.14Å
1023	F	83.7	Confident	68.5	Low	99 Å²	99	93.6 Å²	93.6	43%	0.434	49%	0.486	S	S	.	.	B	Isolated β-bridge	trans	-55.8	144.4	172	-74.8	-70.7	0	0	0	111.7	L1154 Q1157 W1158	F1023-L1154 HydrophobicContact CD1-CD1 3.66Å; F1023-L1154 HydrophobicContact CD1-CG 4.19Å; F1023-L1154 HydrophobicContact CD2-CD1 4.02Å; F1023-L1154 HydrophobicContact CE1-CD1 3.54Å; F1023-L1154 HydrophobicContact CE1-CG 4.15Å; F1023-L1154 HydrophobicContact CE2-CD1 3.91Å; F1023-L1154 HydrophobicContact CG-CD1 3.9Å; F1023-L1154 HydrophobicContact CZ-CD1 3.68Å; F1023-Q1157 HydrophobicContact CE1-CB 4.31Å; F1023-Q1157 HydrophobicContact CZ-CB 3.84Å; F1023-W1158 HydrophobicContact CE1-CB 4.11Å
1024	A	73.7	Confident	65.7	Low	33 Å²	33	96.2 Å²	96.2	27%	0.273	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-59.4	123.6	176.9	0	0	0	0	0	111	P1007 Y1008	P1007-A1024 HydrophobicContact CB-CB 4.1Å; Y1008-A1024 PolarHBondContact O-N 3.45Å
1025	P	58.4	Low	62.9	Low	79 Å²	79	98.6 Å²	98.6	51%	0.513	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-67.9	135.9	-179.2	26.6	-34.1	0	0	0	111.4	H1027	P1025-H1027 VanDerWaalsContact C-N 3.35Å; P1025-H1027 PolarHBondContact O-N 2.79Å
1026	F	51.6	Low	60.3	Low	197 Å²	197	98.5 Å²	98.5	86%	0.864	52%	0.518	S	S	*	.			trans	-71.3	86.2	-180	-173.4	-97.9	0	0	0	111.8	G1028	F1026-G1028 PolarHBondContact O-N 2.65Å
1027	H	49	Very low	57.4	Low	137 Å²	137	98.4 Å²	98.4	63%	0.634	53%	0.525	S	S	*	.			trans	-78.1	106.1	167.8	-65.8	-52	0	0	0	109.5	P1025 K1029	P1025-H1027 VanDerWaalsContact C-N 3.35Å; P1025-H1027 PolarHBondContact O-N 2.79Å; H1027-K1029 PolarHBondContact O-N 3.36Å
1028	G	32.6	Very low	54.3	Low	69 Å²	69	107.7 Å²	107.7	71%	0.711	57%	0.566	S	S	*	*			trans	-65.9	28.3	-174.9	0	0	0	0	0	117.5	F1026	F1026-G1028 PolarHBondContact O-N 2.65Å
1029	K	34.5	Very low	51.3	Low	182 Å²	182	116.6 Å²	116.6	79%	0.791	60%	0.604	S	S	*	*	S	Bend	trans	-95.2	134.3	165.1	-70.4	-177.6	177.6	178.8	0	108.5	H1027 F1031	H1027-K1029 PolarHBondContact O-N 3.36Å; K1029-F1031 PolarHBondContact O-N 2.74Å; K1029-F1031 VanDerWaalsContact O-N 3.17Å
1030	R	36.1	Very low	48.2	Very low	250 Å²	250	116.9 Å²	116.9	94%	0.943	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-55.1	121	172.3	-73.9	179.6	172.9	167.1	-2.6	110	S1032	R1030-S1032 PolarHBondContact O-N 3.31Å
1031	F	43.1	Very low	45.2	Very low	148 Å²	148	123.7 Å²	123.7	65%	0.649	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-62.6	126.3	166.8	-83.1	-98.4	0	0	0	109.2	P1007 K1029 L1033	P1007-F1031 HydrophobicContact CG-CE1 4.12Å; P1007-F1031 HydrophobicContact CG-CE2 4.46Å; P1007-F1031 HydrophobicContact CG-CZ 3.84Å; K1029-F1031 PolarHBondContact O-N 2.74Å; K1029-F1031 VanDerWaalsContact O-N 3.17Å; F1031-L1033 PolarHBondContact O-N 3.34Å
1032	S	32.5	Very low	42.2	Very low	86 Å²	86	130.7 Å²	130.7	60%	0.601	66%	0.661	S	S	*	*			trans	-86.6	88.1	-179	-166	0	0	0	0	110.2	R1030 T1034 A1035	R1030-S1032 PolarHBondContact O-N 3.31Å; S1032-T1034 PolarHBondContact O-N 3.18Å; S1032-T1034 PolarHBondContact OG-OG1 3.4Å; S1032-A1035 PolarHBondContact O-N 3.08Å
1033	L	39.3	Very low	39.4	Very low	118 Å²	118	133.3 Å²	133.3	62%	0.618	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	-0.8	180	-74.5	162.4	0	0	0	115.7	F1031	F1031-L1033 PolarHBondContact O-N 3.34Å
1034	T	32.5	Very low	37	Very low	122 Å²	122	137.9 Å²	137.9	75%	0.748	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-2.9	-178	48.5	0	0	0	0	114.7	S1032 L1036	S1032-T1034 PolarHBondContact O-N 3.18Å; S1032-T1034 PolarHBondContact OG-OG1 3.4Å; T1034-L1036 PolarHBondContact O-N 2.77Å
1035	A	28.6	Very low	34.9	Very low	80 Å²	80	144.5 Å²	144.5	66%	0.661	71%	0.711	S	S	*	*			trans	-99.1	47.7	-170.8	0	0	0	0	0	114.9	S1032	S1032-A1035 PolarHBondContact O-N 3.08Å
1036	L	32.2	Very low	33.6	Very low	119 Å²	119	142.9 Å²	142.9	62%	0.623	71%	0.708	S	S	*	*			trans	-61.9	132.6	163	-75.4	172.6	0	0	0	109.8	T1034 K1038	T1034-L1036 PolarHBondContact O-N 2.77Å; L1036-K1038 PolarHBondContact O-N 2.7Å
1037	P	29.3	Very low	32.6	Very low	77 Å²	77	142.5 Å²	142.5	50%	0.5	71%	0.706	S	S	.	*			trans	-59.9	102.5	-176.3	-26.7	36.2	0	0	0	113.7	K1039	P1037-K1039 PolarHBondContact O-N 2.85Å
1038	K	27.7	Very low	31.8	Very low	202 Å²	202	142.3 Å²	142.3	88%	0.878	71%	0.71	S	S	*	*	S	Bend	trans	-71.1	94.3	177.9	-74.3	-174.5	179.2	177.2	0	111.4	L1036	L1036-K1038 PolarHBondContact O-N 2.7Å
1039	K	28.9	Very low	32.1	Very low	190 Å²	190	143.2 Å²	143.2	83%	0.826	69%	0.694	S	S	*	*			trans	84.8	100.8	174.4	-52	173.5	-178.9	179.9	0	114.7	P1037 K1041	P1037-K1039 PolarHBondContact O-N 2.85Å; K1039-K1041 PolarHBondContact O-N 2.62Å
1040	A	27.3	Very low	32.2	Very low	65 Å²	65	136 Å²	136	54%	0.537	67%	0.666	S	S	.	*			trans	-56.9	119.6	161.3	0	0	0	0	0	110.8
1041	K	27.4	Very low	32.3	Very low	198 Å²	198	126.5 Å²	126.5	86%	0.861	64%	0.636	S	S	*	*			trans	-85.6	-17.9	179.8	-92.9	-174.9	172.5	-178.2	0	114.4	K1039 R1043	K1039-K1041 PolarHBondContact O-N 2.62Å; K1041-R1043 VanDerWaalsContact C-N 3.34Å; K1041-R1043 PolarHBondContact O-N 3.03Å
1042	W	28.3	Very low	31.9	Very low	167 Å²	167	121.7 Å²	121.7	63%	0.633	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-70.1	-20.3	-167.6	-74.7	108.1	0	0	0	116.1	K1044 E1045 G1046 E1071	W1042-K1044 PolarHBondContact O-N 3.29Å; W1042-E1045 PolarHBondContact O-N 3.42Å; W1042-G1046 PolarHBondContact O-N 3.13Å; W1042-E1071 PolarHBondContact NE1-OE1 2.83Å
1043	R	31.1	Very low	32.4	Very low	181 Å²	181	119.4 Å²	119.4	68%	0.683	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-64.8	7.3	-174.2	-110.9	-171.3	-172.4	-147.4	0.1	116.6	K1041 E1064	K1041-R1043 VanDerWaalsContact C-N 3.34Å; K1041-R1043 PolarHBondContact O-N 3.03Å; R1043-E1064 IonicContact CZ-OE1 3.38Å; R1043-E1064 IonicContact NH1-OE1 3.32Å; R1043-E1064 PolarHBondContact NH1-OE1 3.37Å; R1043-E1064 IonicContact NH2-OE1 2.78Å; R1043-E1064 PolarHBondContact NH2-OE1 3.49Å
1044	K	32.5	Very low	32.6	Very low	196 Å²	196	115.1 Å²	115.1	85%	0.852	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-116.8	-15.7	174.5	-78.5	-163.3	170.6	-169.7	0	116	W1042	W1042-K1044 PolarHBondContact O-N 3.29Å
1045	E	30.9	Very low	33.1	Very low	172 Å²	172	115.5 Å²	115.5	80%	0.804	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.6	-22.1	-173.3	-67.2	176.6	-177.8	0	0	113	W1042 K1047	W1042-E1045 PolarHBondContact O-N 3.42Å; E1045-K1047 VanDerWaalsContact C-N 3.31Å; E1045-K1047 PolarHBondContact O-N 3.49Å
1046	G	29.9	Very low	33.6	Very low	44 Å²	44	115.1 Å²	115.1	45%	0.454	56%	0.556	S	S	.	*			trans	-78.2	52.7	-179.3	0	0	0	0	0	116.3	W1042 N1048	W1042-G1046 PolarHBondContact O-N 3.13Å; G1046-N1048 PolarHBondContact O-N 3.1Å; G1046-N1048 VanDerWaalsContact O-N 3.13Å
1047	K	30.6	Very low	34.4	Very low	190 Å²	190	110 Å²	110	83%	0.826	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-11.2	-179.6	-85.2	-164.3	173.3	-169.3	0	116	E1045	E1045-K1047 VanDerWaalsContact C-N 3.31Å; E1045-K1047 PolarHBondContact O-N 3.49Å
1048	N	32.4	Very low	35.3	Very low	133 Å²	133	111.1 Å²	111.1	71%	0.711	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-17.4	-163.7	-62.8	-12	0	0	0	114.5	G1046 V1050 R1055	G1046-N1048 PolarHBondContact O-N 3.1Å; G1046-N1048 VanDerWaalsContact O-N 3.13Å; N1048-V1050 PolarHBondContact O-N 3Å; N1048-R1055 PolarHBondContact O-NH2 3.06Å
1049	F	38.8	Very low	36.7	Very low	87 Å²	87	109 Å²	109	38%	0.382	53%	0.533	S	S	.	.			trans	-105	52.9	-171.9	-152.6	-92.2	0	0	0	112.1	M1072 E1250 V1253	F1049-M1072 HydrophobicContact CE1-CE 4.24Å; F1049-M1072 HydrophobicContact CE1-SD 4.23Å; F1049-E1250 HydrophobicContact CE2-CB 4.12Å; F1049-V1253 HydrophobicContact CE1-CG1 4.2Å; F1049-V1253 HydrophobicContact CE2-CB 4.09Å; F1049-V1253 HydrophobicContact CE2-CG1 4.09Å; F1049-V1253 HydrophobicContact CZ-CB 3.64Å; F1049-V1253 HydrophobicContact CZ-CG1 3.44Å; F1049-V1253 VanDerWaalsContact CZ-CG1 3.44Å; F1049-V1253 HydrophobicContact CZ-CG2 4.39Å
1050	V	36	Very low	38.5	Very low	32 Å²	32	100.9 Å²	100.9	19%	0.194	50%	0.497	C	S	.	.	S	Bend	trans	-110	131	162.5	175.5	0	0	0	0	105.3	N1048 E1054 R1055	N1048-V1050 PolarHBondContact O-N 3Å; V1050-E1054 VanDerWaalsContact CG1-C 3.47Å; V1050-E1054 HydrophobicContact CG1-CB 3.32Å; V1050-R1055 HydrophobicContact CB-CG 4Å; V1050-R1055 HydrophobicContact CG1-CG 3.97Å; V1050-R1055 PolarHBondContact O-NE 3.43Å
1051	P	38.3	Very low	40.3	Very low	50 Å²	50	101.4 Å²	101.4	33%	0.325	50%	0.497	S	S	.	.			trans	-50.6	145.1	175.8	-25.8	34.4	0	0	0	110.3	F1053 E1054	P1051-F1053 HydrophobicContact CB-CD2 4.48Å; P1051-F1053 PolarHBondContact O-N 3.2Å; P1051-E1054 PolarHBondContact O-N 3.39Å
1052	P	34.8	Very low	42.2	Very low	47 Å²	47	92 Å²	92	31%	0.305	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-47.3	-37.4	-172.5	-31.3	36	0	0	0	114.2	A1257	P1052-A1257 HydrophobicContact CG-CB 4.42Å
1053	F	43.8	Very low	44.1	Very low	37 Å²	37	84.5 Å²	84.5	16%	0.162	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-67.8	-29.4	-179.2	-44.5	-65.5	0	0	0	115.5	P1051 M1260 V1312 Y1313	P1051-F1053 HydrophobicContact CB-CD2 4.48Å; P1051-F1053 PolarHBondContact O-N 3.2Å; F1053-M1260 HydrophobicContact CE2-CB 4.02Å; F1053-M1260 HydrophobicContact CE2-CE 4.05Å; F1053-M1260 HydrophobicContact CE2-SD 4.26Å; F1053-M1260 HydrophobicContact CZ-CB 3.72Å; F1053-V1312 WeakPolarHBondContact CA-O 3.38Å; F1053-V1312 HydrophobicContact CB-CG1 3.69Å; F1053-V1312 WeakPolarHBondContact CB-O 3.4Å; F1053-V1312 HydrophobicContact CG-CG1 4.47Å; F1053-Y1313 AromaticContact CD1-CD1 3.85Å; F1053-Y1313 HydrophobicContact CD1-CD1 3.85Å; F1053-Y1313 AromaticContact CD1-CE1 3.7Å; F1053-Y1313 HydrophobicContact CD1-CE1 3.7Å; F1053-Y1313 HydrophobicContact CD1-CG 4.47Å; F1053-Y1313 AromaticContact CE1-CD1 3.75Å; F1053-Y1313 HydrophobicContact CE1-CD1 3.75Å; F1053-Y1313 AromaticContact CE1-CE1 3.32Å; F1053-Y1313 HydrophobicContact CE1-CE1 3.32Å; F1053-Y1313 AromaticContact CZ-CE1 3.99Å; F1053-Y1313 HydrophobicContact CZ-CE1 3.99Å
1054	E	44.4	Very low	45.7	Very low	28 Å²	28	79.2 Å²	79.2	13%	0.131	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-93.6	-5.5	-179.7	-75.6	-170.8	151.3	0	0	113.2	V1050 P1051 C1056 T1057 N1067	V1050-E1054 VanDerWaalsContact CG1-C 3.47Å; V1050-E1054 HydrophobicContact CG1-CB 3.32Å; P1051-E1054 PolarHBondContact O-N 3.39Å; E1054-C1056 PolarHBondContact O-N 2.92Å; E1054-T1057 PolarHBondContact O-N 2.92Å; E1054-T1057 VanDerWaalsContact O-N 3.1Å; E1054-T1057 PolarHBondContact O-OG1 3.5Å; E1054-N1067 PolarHBondContact OE1-ND2 3.08Å; E1054-N1067 PolarHBondContact OE2-ND2 3.47Å
1055	R	41.4	Very low	47.5	Very low	130 Å²	130	71.1 Å²	71.1	49%	0.491	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-8.7	-174.2	-70.6	180	179.6	-177	-4.4	114.7	N1048 V1050	N1048-R1055 PolarHBondContact O-NH2 3.06Å; V1050-R1055 HydrophobicContact CB-CG 4Å; V1050-R1055 HydrophobicContact CG1-CG 3.97Å; V1050-R1055 PolarHBondContact O-NE 3.43Å
1056	C	38.9	Very low	49.5	Very low	73 Å²	73	64.7 Å²	64.7	49%	0.493	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-6	178.4	-66.4	0	0	0	0	114.3	E1054 P1315	E1054-C1056 PolarHBondContact O-N 2.92Å; C1056-P1315 HydrophobicContact CB-CB 3.51Å; C1056-P1315 HydrophobicContact CB-CG 4.12Å; C1056-P1315 VanDerWaalsContact SG-CB 3.58Å
1057	T	49.9	Very low	51.3	Low	12 Å²	12	65 Å²	65	7%	0.074	34%	0.338	C	S	.	.			trans	-115.3	14.6	-177.5	63.9	0	0	0	0	113.6	E1054 D1059 F1060 T1063	E1054-T1057 PolarHBondContact O-N 2.92Å; E1054-T1057 VanDerWaalsContact O-N 3.1Å; E1054-T1057 PolarHBondContact O-OG1 3.5Å; T1057-D1059 PolarHBondContact O-N 2.81Å; T1057-F1060 WeakPolarHBondContact O-CB 3.45Å; T1057-F1060 PolarHBondContact O-N 3.31Å; T1057-T1063 WeakPolarHBondContact CB-OG1 3.19Å; T1057-T1063 HydrophobicContact CG2-CG2 4.12Å; T1057-T1063 PolarHBondContact O-OG1 3.01Å; T1057-T1063 WeakPolarHBondContact OG1-CB 3.35Å; T1057-T1063 WeakPolarHBondContact OG1-CG2 3.35Å; T1057-T1063 PolarHBondContact OG1-OG1 3.21Å
1058	V	48.7	Very low	53.1	Low	99 Å²	99	58.3 Å²	58.3	60%	0.6	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.9	-168.5	-175.6	0	0	0	0	114.9
1059	D	56.1	Low	54.5	Low	158 Å²	158	57.7 Å²	57.7	85%	0.845	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	13.2	175.2	-65.5	-56.1	0	0	0	113.6	T1057	T1057-D1059 PolarHBondContact O-N 2.81Å
1060	F	66.4	Low	55.7	Low	19 Å²	19	57.7 Å²	57.7	8%	0.083	31%	0.306	C	S	.	.			trans	-109.8	127.5	-174.6	174.2	-110.8	0	0	0	112.6	T1057 G1062 T1063 Y1320 P1405 W1406	T1057-F1060 WeakPolarHBondContact O-CB 3.45Å; T1057-F1060 PolarHBondContact O-N 3.31Å; F1060-G1062 VanDerWaalsContact C-N 3.32Å; F1060-G1062 VanDerWaalsContact CE1-CA 3.42Å; F1060-G1062 PolarHBondContact O-N 3.22Å; F1060-T1063 PolarHBondContact O-N 2.95Å; F1060-T1063 PolarHBondContact O-OG1 3.16Å; F1060-Y1320 HydrophobicContact CB-CD1 4.09Å; F1060-Y1320 HydrophobicContact CB-CD2 4.25Å; F1060-Y1320 HydrophobicContact CB-CE1 3.94Å; F1060-Y1320 HydrophobicContact CB-CE2 4.1Å; F1060-Y1320 HydrophobicContact CB-CG 4.25Å; F1060-Y1320 HydrophobicContact CD1-CD1 4.5Å; F1060-Y1320 HydrophobicContact CD1-CG 4.37Å; F1060-Y1320 HydrophobicContact CD2-CD1 4.48Å; F1060-Y1320 AromaticContact CD2-CD2 3.54Å; F1060-Y1320 HydrophobicContact CD2-CD2 3.54Å; F1060-Y1320 HydrophobicContact CD2-CE2 4.03Å; F1060-Y1320 AromaticContact CD2-CG 3.81Å; F1060-Y1320 HydrophobicContact CD2-CG 3.81Å; F1060-Y1320 HydrophobicContact CE2-CD2 4.14Å; F1060-Y1320 HydrophobicContact CE2-CG 4.28Å; F1060-Y1320 HydrophobicContact CG-CD1 4.1Å; F1060-Y1320 AromaticContact CG-CD2 3.98Å; F1060-Y1320 HydrophobicContact CG-CD2 3.98Å; F1060-Y1320 HydrophobicContact CG-CE1 4.44Å; F1060-Y1320 HydrophobicContact CG-CE2 4.31Å; F1060-Y1320 AromaticContact CG-CG 3.87Å; F1060-Y1320 HydrophobicContact CG-CG 3.87Å; F1060-P1405 HydrophobicContact CE2-CB 4.13Å; F1060-P1405 WeakPolarHBondContact CE2-O 3.33Å; F1060-P1405 HydrophobicContact CZ-CB 4.09Å; F1060-P1405 HydrophobicContact CZ-CG 4.13Å; F1060-P1405 WeakPolarHBondContact CZ-O 3.49Å; F1060-W1406 AromaticContact CE1-CD2 3.54Å; F1060-W1406 HydrophobicContact CE1-CD2 3.54Å; F1060-W1406 AromaticContact CE1-CE2 3.7Å; F1060-W1406 AromaticContact CE1-CE3 3.66Å; F1060-W1406 HydrophobicContact CE1-CE3 3.66Å; F1060-W1406 HydrophobicContact CE1-CG 4.09Å; F1060-W1406 HydrophobicContact CE1-CH2 4.14Å; F1060-W1406 HydrophobicContact CE1-CZ2 4Å; F1060-W1406 AromaticContact CE1-CZ3 3.97Å; F1060-W1406 HydrophobicContact CE1-CZ3 3.97Å; F1060-W1406 HydrophobicContact CZ-CB 4.48Å; F1060-W1406 AromaticContact CZ-CD2 3.96Å; F1060-W1406 HydrophobicContact CZ-CD2 3.96Å; F1060-W1406 HydrophobicContact CZ-CE3 4.19Å; F1060-W1406 HydrophobicContact CZ-CG 4.06Å
1061	S	65.5	Low	57.2	Low	77 Å²	77	62.4 Å²	62.4	54%	0.538	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-23.6	-171.4	53.5	0	0	0	0	114.7	T1063 E1064	S1061-T1063 VanDerWaalsContact C-N 3.31Å; S1061-T1063 PolarHBondContact O-N 3.08Å; S1061-E1064 PolarHBondContact O-N 3.22Å
1062	G	67	Low	59	Low	1 Å²	1	66.6 Å²	66.6	1%	0.01	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-32.9	176.7	0	0	0	0	0	113.4	F1060 P1405	F1060-G1062 VanDerWaalsContact C-N 3.32Å; F1060-G1062 VanDerWaalsContact CE1-CA 3.42Å; F1060-G1062 PolarHBondContact O-N 3.22Å; G1062-P1405 VanDerWaalsContact CA-CG 3.49Å
1063	T	67.8	Low	61.3	Low	9 Å²	9	68.8 Å²	68.8	6%	0.055	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-8.2	176.1	44.7	0	0	0	0	114.3	T1057 F1060 S1061 M1065 N1067 W1406	T1057-T1063 WeakPolarHBondContact CB-OG1 3.19Å; T1057-T1063 HydrophobicContact CG2-CG2 4.12Å; T1057-T1063 PolarHBondContact O-OG1 3.01Å; T1057-T1063 WeakPolarHBondContact OG1-CB 3.35Å; T1057-T1063 WeakPolarHBondContact OG1-CG2 3.35Å; T1057-T1063 PolarHBondContact OG1-OG1 3.21Å; F1060-T1063 PolarHBondContact O-N 2.95Å; F1060-T1063 PolarHBondContact O-OG1 3.16Å; S1061-T1063 VanDerWaalsContact C-N 3.31Å; S1061-T1063 PolarHBondContact O-N 3.08Å; T1063-M1065 PolarHBondContact O-N 3.46Å; T1063-N1067 PolarHBondContact O-ND2 2.88Å; T1063-W1406 HydrophobicContact CG2-CH2 3.64Å; T1063-W1406 HydrophobicContact CG2-CZ2 3.57Å
1064	E	66.3	Low	63.4	Low	69 Å²	69	68.7 Å²	68.7	32%	0.322	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.4	166.7	-78.4	-140.4	144.9	0	0	113.1	R1043 S1061 K1069	R1043-E1064 IonicContact CZ-OE1 3.38Å; R1043-E1064 IonicContact NH1-OE1 3.32Å; R1043-E1064 PolarHBondContact NH1-OE1 3.37Å; R1043-E1064 IonicContact NH2-OE1 2.78Å; R1043-E1064 PolarHBondContact NH2-OE1 3.49Å; S1061-E1064 PolarHBondContact O-N 3.22Å; E1064-K1069 IonicContact OE2-NZ 2.68Å; E1064-K1069 PolarHBondContact OE2-NZ 3.47Å
1065	M	68.7	Low	65.4	Low	26 Å²	26	71.5 Å²	71.5	13%	0.128	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-38.4	-179.7	-172.6	178.1	-68.6	0	0	112.4	T1063 I1110 W1403 L1424	T1063-M1065 PolarHBondContact O-N 3.46Å; M1065-I1110 HydrophobicContact CG-CB 4.23Å; M1065-I1110 HydrophobicContact CG-CD1 4.48Å; M1065-I1110 HydrophobicContact CG-CG2 4.2Å; M1065-I1110 HydrophobicContact SD-CB 4.47Å; M1065-I1110 HydrophobicContact SD-CD1 3.74Å; M1065-W1403 HydrophobicContact CE-CH2 4.01Å; M1065-W1403 HydrophobicContact CE-CZ3 3.72Å; M1065-L1424 HydrophobicContact CE-CD1 4.3Å
1066	W	72.8	Confident	67.6	Low	37 Å²	37	66.1 Å²	66.1	14%	0.14	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-10.2	-175.2	-55.3	120.6	0	0	0	113.7	L1108 I1110 Y1111 Y1416 L1418	W1066-L1108 HydrophobicContact CE3-CD1 4.48Å; W1066-L1108 WeakPolarHBondContact O-CD1 3.41Å; W1066-L1108 WeakPolarHBondContact O-CD2 3.4Å; W1066-I1110 HydrophobicContact CH2-CD1 4.11Å; W1066-I1110 HydrophobicContact CZ3-CD1 4.42Å; W1066-I1110 HydrophobicContact CZ3-CG2 4.3Å; W1066-Y1111 HydrophobicContact CZ3-CE1 4.32Å; W1066-Y1416 HydrophobicContact CZ2-CD2 4.47Å; W1066-Y1416 HydrophobicContact CZ2-CE2 4.12Å; W1066-L1418 HydrophobicContact CH2-CD1 4.43Å
1067	N	68.6	Low	70.2	Confident	52 Å²	52	62.7 Å²	62.7	28%	0.278	33%	0.33	S	S	.	.	S	Bend	trans	-95.2	126.9	-178.8	-97.5	-85.1	0	0	0	112.5	E1054 T1063	E1054-N1067 PolarHBondContact OE1-ND2 3.08Å; E1054-N1067 PolarHBondContact OE2-ND2 3.47Å; T1063-N1067 PolarHBondContact O-ND2 2.88Å
1068	P	68.6	Low	72.2	Confident	48 Å²	48	63.6 Å²	63.6	31%	0.312	34%	0.336	S	S	.	.			trans	-65.9	140.2	177	27.6	-33.4	0	0	0	111.3	L1108	P1068-L1108 HydrophobicContact CB-CD2 4.26Å
1069	K	62.1	Low	74.4	Confident	120 Å²	120	58.9 Å²	58.9	52%	0.522	31%	0.307	S	S	.	.			trans	-95.6	-10.7	178.8	-64.5	-173.8	175.2	-168.7	0	113.1	E1064	E1064-K1069 IonicContact OE2-NZ 2.68Å; E1064-K1069 PolarHBondContact OE2-NZ 3.47Å
1070	E	64.5	Low	76.2	Confident	88 Å²	88	52.1 Å²	52.1	41%	0.411	27%	0.271	S	S	.	.	S	Bend	trans	-90.4	170.7	177.4	-58.2	-54.9	144.1	0	0	112.1
1071	E	66.5	Low	77.5	Confident	130 Å²	130	51.2 Å²	51.2	61%	0.607	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-76.9	133.5	178.9	-170.9	156.5	-133.8	0	0	111.8	W1042	W1042-E1071 PolarHBondContact NE1-OE1 2.83Å
1072	M	77	Confident	78.9	Confident	138 Å²	138	47.6 Å²	47.6	68%	0.68	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-77.2	135.2	177.7	-66.3	179.3	65.2	0	0	110.6	F1049	F1049-M1072 HydrophobicContact CE1-CE 4.24Å; F1049-M1072 HydrophobicContact CE1-SD 4.23Å
1073	T	82.4	Confident	80	Confident	94 Å²	94	47.8 Å²	47.8	58%	0.577	24%	0.242	S	C	*	.			trans	-145.5	152.5	-178.7	178.3	0	0	0	0	111	D1075	T1073-D1075 VanDerWaalsContact C-N 3.34Å; T1073-D1075 WeakPolarHBondContact CG2-O 3.44Å; T1073-D1075 PolarHBondContact OG1-N 2.9Å; T1073-D1075 VanDerWaalsContact OG1-N 3.11Å
1074	E	87.4	Confident	80.5	Confident	34 Å²	34	48.3 Å²	48.3	16%	0.159	25%	0.246	C	C	.	.	S	Bend	trans	-73.5	-24.9	168.6	-74.5	-173.2	108.5	0	0	112.5	P1012 V1013 R1017 C1076 F1134 P1249	P1012-E1074 WeakPolarHBondContact CD-O 3.23Å; P1012-E1074 VanDerWaalsContact CG-O 3.31Å; P1012-E1074 WeakPolarHBondContact CG-O 3.37Å; V1013-E1074 HydrophobicContact CG1-CB 3.91Å; R1017-E1074 WeakPolarHBondContact CB-OE1 3.19Å; R1017-E1074 IonicContact CZ-OE1 2.76Å; R1017-E1074 VanDerWaalsContact CZ-OE1 3.22Å; R1017-E1074 IonicContact CZ-OE2 2.66Å; R1017-E1074 IonicContact NE-OE1 3.89Å; R1017-E1074 PolarHBondContact NE-OE1 3.34Å; R1017-E1074 IonicContact NE-OE2 3.21Å; R1017-E1074 IonicContact NH2-OE1 3.44Å; R1017-E1074 PolarHBondContact NH2-OE1 2.9Å; R1017-E1074 IonicContact NH2-OE2 3.13Å; R1017-E1074 PolarHBondContact NH2-OE2 2.79Å; E1074-C1076 PolarHBondContact O-N 3.36Å; E1074-C1076 PolarHBondContact O-SG 2.73Å; E1074-F1134 WeakPolarHBondContact OE1-CE1 3.13Å; E1074-P1249 HydrophobicContact CG-CB 4.37Å; E1074-P1249 HydrophobicContact CG-CG 4.11Å
1075	D	87.7	Confident	80.4	Confident	88 Å²	88	47.5 Å²	47.5	47%	0.471	24%	0.243	S	C	.	.			trans	-77.8	71.8	174.9	-167.9	11.6	0	0	0	110.2	A1011 V1013 T1073	A1011-D1075 WeakPolarHBondContact CA-OD1 3.06Å; A1011-D1075 HydrophobicContact CB-CB 4.29Å; A1011-D1075 WeakPolarHBondContact CB-OD1 3.3Å; V1013-D1075 HydrophobicContact CG1-CB 4.34Å; T1073-D1075 VanDerWaalsContact C-N 3.34Å; T1073-D1075 WeakPolarHBondContact CG2-O 3.44Å; T1073-D1075 PolarHBondContact OG1-N 2.9Å; T1073-D1075 VanDerWaalsContact OG1-N 3.11Å
1076	C	87.1	Confident	80.2	Confident	16 Å²	16	50 Å²	50	11%	0.108	26%	0.255	C	S	.	.			trans	-115.2	-15.9	-160.5	62.3	0	0	0	0	114.6	E1074 T1078 N1128	E1074-C1076 PolarHBondContact O-N 3.36Å; E1074-C1076 PolarHBondContact O-SG 2.73Å; C1076-T1078 PolarHBondContact O-N 2.87Å; C1076-T1078 PolarHBondContact O-OG1 3.26Å; C1076-T1078 VanDerWaalsContact O-OG1 3.07Å; C1076-N1128 VanDerWaalsContact O-CB 3.32Å; C1076-N1128 WeakPolarHBondContact O-CB 3.23Å; C1076-N1128 PolarHBondContact O-ND2 2.95Å
1077	L	92.9	Very high	80	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	26%	0.256	C	S	.	.			trans	-74.9	68.6	-168	-59.2	-174.5	0	0	0	113.3	Y1008 G1009 P1012 A1021 R1130 D1151	Y1008-L1077 WeakPolarHBondContact CD1-O 3.46Å; Y1008-L1077 HydrophobicContact CE1-CB 4.25Å; Y1008-L1077 HydrophobicContact CE2-CB 4.37Å; Y1008-L1077 PolarHBondContact N-O 2.86Å; G1009-L1077 PolarHBondContact N-O 2.85Å; P1012-L1077 HydrophobicContact CB-CD1 4.26Å; P1012-L1077 HydrophobicContact CG-CD1 3.81Å; P1012-L1077 HydrophobicContact CG-CD2 4.49Å; P1012-L1077 HydrophobicContact CG-CG 3.84Å; A1021-L1077 HydrophobicContact CB-CD1 3.36Å; L1077-R1130 HydrophobicContact CD2-CG 4.27Å; L1077-D1151 HydrophobicContact CD2-CB 4.01Å; L1077-D1151 WeakPolarHBondContact CD2-OD2 2.95Å
1078	T	92.5	Very high	80.3	Confident	32 Å²	32	53 Å²	53	20%	0.196	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	160.8	-172.9	57	0	0	0	0	111.2	I1006 P1007 C1076 N1128	I1006-T1078 CarbonylContact O-C 3.57Å; I1006-T1078 WeakPolarHBondContact O-CA 3.4Å; P1007-T1078 HydrophobicContact CB-CG2 4.46Å; C1076-T1078 PolarHBondContact O-N 2.87Å; C1076-T1078 PolarHBondContact O-OG1 3.26Å; C1076-T1078 VanDerWaalsContact O-OG1 3.07Å; T1078-N1128 VanDerWaalsContact O-CB 3.23Å; T1078-N1128 WeakPolarHBondContact O-CB 3.32Å; T1078-N1128 PolarHBondContact O-N 3.31Å
1079	L	94.1	Very high	81.1	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	152.7	173	55.5	81.6	0	0	0	111.5	G1005 I1006 Y1008 I1081 V1125 A1126 I1127 W1158 I1159	G1005-L1079 PolarHBondContact N-O 2.85Å; I1006-L1079 HydrophobicContact CB-CD1 3.96Å; I1006-L1079 HydrophobicContact CD1-CD1 4.07Å; I1006-L1079 HydrophobicContact CG2-CD1 4.35Å; I1006-L1079 PolarHBondContact N-O 3.09Å; I1006-L1079 PolarHBondContact O-N 3.17Å; Y1008-L1079 HydrophobicContact CD1-CB 4.31Å; Y1008-L1079 HydrophobicContact CD1-CD2 3.91Å; Y1008-L1079 HydrophobicContact CD1-CG 4.14Å; Y1008-L1079 HydrophobicContact CG-CD2 4.21Å; L1079-I1081 HydrophobicContact CD1-CD1 3.72Å; L1079-I1081 HydrophobicContact CD1-CG1 3.58Å; L1079-V1125 HydrophobicContact CB-CG1 4.25Å; L1079-V1125 HydrophobicContact CD1-CG1 4.17Å; L1079-V1125 HydrophobicContact CD2-CG1 4.37Å; L1079-A1126 WeakPolarHBondContact CA-O 3.27Å; L1079-I1127 HydrophobicContact CB-CB 4.48Å; L1079-I1127 HydrophobicContact CB-CG2 4.06Å; L1079-I1127 HydrophobicContact CD2-CG2 4.37Å; L1079-W1158 HydrophobicContact CD1-CE3 4.32Å; L1079-W1158 HydrophobicContact CD1-CH2 4.22Å; L1079-W1158 HydrophobicContact CD1-CZ3 3.87Å; L1079-W1158 HydrophobicContact CD2-CD2 4.27Å; L1079-W1158 HydrophobicContact CD2-CE3 3.75Å; L1079-W1158 HydrophobicContact CD2-CZ3 4.15Å; L1079-I1159 HydrophobicContact CD2-CG1 4.31Å
1080	N	93.8	Very high	82.1	Confident	15 Å²	15	48.7 Å²	48.7	8%	0.08	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.4	173.9	-64.4	-27.4	0	0	0	108.6	F1003 L1004 G1005 W1082 P1106 V1125 A1126	F1003-N1080 CarbonylContact O-C 3.57Å; F1003-N1080 WeakPolarHBondContact O-CA 3.42Å; L1004-N1080 WeakPolarHBondContact CA-OD1 3.15Å; L1004-N1080 HydrophobicContact CD2-CB 3.86Å; G1005-N1080 PolarHBondContact N-OD1 3.42Å; N1080-W1082 HydrophobicContact CB-CH2 3.72Å; N1080-W1082 HydrophobicContact CB-CZ2 4.07Å; N1080-W1082 HydrophobicContact CB-CZ3 4.02Å; N1080-P1106 PolarHBondContact ND2-O 3.01Å; N1080-V1125 CarbonylContact O-C 3.24Å; N1080-V1125 VanDerWaalsContact O-CA 3.27Å; N1080-V1125 WeakPolarHBondContact O-CA 3.37Å; N1080-A1126 PolarHBondContact N-O 3.4Å; N1080-A1126 PolarHBondContact O-N 3.49Å
1081	I	95	Very high	83.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	130	176.3	-55.8	177.7	0	0	0	109.6	F1003 I1006 L1079 V1123 I1124 V1125 W1158 I1163 F1166	F1003-I1081 HydrophobicContact CB-CB 4.39Å; F1003-I1081 HydrophobicContact CD2-CB 4.39Å; F1003-I1081 PolarHBondContact N-O 2.83Å; F1003-I1081 PolarHBondContact O-N 2.79Å; I1006-I1081 HydrophobicContact CD1-CB 4.42Å; I1006-I1081 HydrophobicContact CD1-CD1 3.6Å; I1006-I1081 HydrophobicContact CD1-CG1 3.9Å; L1079-I1081 HydrophobicContact CD1-CD1 3.72Å; L1079-I1081 HydrophobicContact CD1-CG1 3.58Å; I1081-V1123 HydrophobicContact CG2-CG1 3.72Å; I1081-I1124 CarbonylContact C-O 2.95Å; I1081-I1124 WeakPolarHBondContact CA-O 3.36Å; I1081-V1125 HydrophobicContact CG1-CG1 4.24Å; I1081-V1125 HydrophobicContact CG1-CG2 4.27Å; I1081-W1158 HydrophobicContact CD1-CH2 4Å; I1081-W1158 HydrophobicContact CD1-CZ3 3.87Å; I1081-I1163 HydrophobicContact CD1-CD1 4.19Å; I1081-F1166 HydrophobicContact CD1-CD1 3.92Å; I1081-F1166 HydrophobicContact CD1-CD2 3.94Å; I1081-F1166 HydrophobicContact CD1-CE1 3.89Å; I1081-F1166 HydrophobicContact CD1-CE2 3.93Å; I1081-F1166 HydrophobicContact CD1-CG 3.95Å; I1081-F1166 HydrophobicContact CD1-CZ 3.9Å; I1081-F1166 HydrophobicContact CG2-CB 4.36Å; I1081-F1166 HydrophobicContact CG2-CD1 4.15Å; I1081-F1166 HydrophobicContact CG2-CG 4.36Å
1082	W	93.8	Very high	84.9	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	114.6	168.5	-60	-81.7	0	0	0	108.9	V1000 Y1001 E1002 L1004 N1080 R1112 P1114 A1117 I1124 A1126	V1000-W1082 HydrophobicContact CG1-CB 3.85Å; Y1001-W1082 WeakPolarHBondContact O-CA 3.46Å; E1002-W1082 PolarHBondContact OE1-NE1 3.23Å; L1004-W1082 HydrophobicContact CD2-CZ2 4.03Å; N1080-W1082 HydrophobicContact CB-CH2 3.72Å; N1080-W1082 HydrophobicContact CB-CZ2 4.07Å; N1080-W1082 HydrophobicContact CB-CZ3 4.02Å; W1082-R1112 HydrophobicContact CZ2-CB 4.5Å; W1082-P1114 HydrophobicContact CG-CB 4.39Å; W1082-A1117 HydrophobicContact CB-CB 3.86Å; W1082-I1124 HydrophobicContact CB-CB 4.37Å; W1082-I1124 HydrophobicContact CE3-CB 4.16Å; W1082-I1124 HydrophobicContact CE3-CG2 4.01Å; W1082-I1124 HydrophobicContact CZ3-CG2 4.42Å; W1082-I1124 PolarHBondContact N-O 2.79Å; W1082-I1124 PolarHBondContact O-N 2.73Å; W1082-A1126 HydrophobicContact CH2-CB 4.19Å; W1082-A1126 HydrophobicContact CZ3-CB 3.79Å
1083	T	90	Very high	85.8	Confident	5 Å²	5	32.8 Å²	32.8	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.1	-179.2	-176.4	0	0	0	0	112.2	V1000 Y1001 F1003 A1087 F1166	V1000-T1083 CarbonylContact C-O 3.59Å; V1000-T1083 WeakPolarHBondContact CA-O 3.07Å; Y1001-T1083 HydrophobicContact CD2-CG2 4.49Å; Y1001-T1083 PolarHBondContact N-O 2.8Å; Y1001-T1083 PolarHBondContact O-N 2.83Å; F1003-T1083 HydrophobicContact CD2-CG2 4.49Å; F1003-T1083 HydrophobicContact CE2-CG2 3.87Å; T1083-A1087 VanDerWaalsContact OG1-CB 3.3Å; T1083-A1087 WeakPolarHBondContact OG1-CB 3.37Å; T1083-F1166 WeakPolarHBondContact CB-O 3.39Å; T1083-F1166 HydrophobicContact CG2-CB 4.47Å; T1083-F1166 PolarHBondContact OG1-O 3.41Å
1084	P	78.1	Confident	86.5	Confident	20 Å²	20	28.3 Å²	28.3	13%	0.13	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	143	170.8	-23.9	32.5	0	0	0	112.7	H1086 A1087 Q1122	P1084-H1086 PolarHBondContact O-N 3.08Å; P1084-A1087 HydrophobicContact CB-CB 4.45Å; P1084-A1087 WeakPolarHBondContact O-CB 3.36Å; P1084-A1087 PolarHBondContact O-N 2.6Å; P1084-Q1122 WeakPolarHBondContact CD-O 3.28Å
1085	L	64.9	Low	87	Confident	51 Å²	51	26.8 Å²	26.8	27%	0.267	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-30.8	178.6	178.3	62.8	0	0	0	115.3	K999 Y1001	K999-L1085 VanDerWaalsContact O-CB 3.27Å; K999-L1085 WeakPolarHBondContact O-CB 3.22Å; K999-L1085 PolarHBondContact O-N 2.89Å; Y1001-L1085 HydrophobicContact CE2-CD1 3.58Å; Y1001-L1085 WeakPolarHBondContact OH-CD1 3.47Å
1086	H	64.4	Low	87.5	Confident	79 Å²	79	22.6 Å²	22.6	37%	0.366	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120	23.5	-176	-55.1	-67.2	0	0	0	113.4	Q716 P1084 R1088	Q716-H1086 VanDerWaalsContact CD-CD2 3.46Å; Q716-H1086 PolarHBondContact OE1-CD2 2.75Å; Q716-H1086 VanDerWaalsContact OE1-CD2 3.23Å; P1084-H1086 PolarHBondContact O-N 3.08Å; H1086-R1088 PolarHBondContact O-N 2.88Å
1087	A	69.3	Low	87.8	Confident	20 Å²	20	21.9 Å²	21.9	17%	0.165	11%	0.111	C	C	.	.			trans	-57.5	126.4	177.5	0	0	0	0	0	111.7	T1083 P1084 A1090 V1123 G1167	T1083-A1087 VanDerWaalsContact OG1-CB 3.3Å; T1083-A1087 WeakPolarHBondContact OG1-CB 3.37Å; P1084-A1087 HydrophobicContact CB-CB 4.45Å; P1084-A1087 WeakPolarHBondContact O-CB 3.36Å; P1084-A1087 PolarHBondContact O-N 2.6Å; A1087-A1090 HydrophobicContact CB-CB 4.12Å; A1087-V1123 HydrophobicContact CB-CG2 4.25Å; A1087-G1167 CarbonylContact C-O 3.6Å; A1087-G1167 VanDerWaalsContact O-CA 3.23Å; A1087-G1167 WeakPolarHBondContact O-CA 3.47Å
1088	R	74	Confident	87.8	Confident	133 Å²	133	21.9 Å²	21.9	50%	0.502	11%	0.111	S	C	.	.	S	Bend	trans	-142.1	113.7	175.5	-65.8	-177.9	-174.6	-174.3	2.4	108.5	N632 H1086 A1090 G1167	N632-R1088 PolarHBondContact OD1-NH1 2.76Å; H1086-R1088 PolarHBondContact O-N 2.88Å; R1088-A1090 PolarHBondContact O-N 2.83Å; R1088-G1167 CarbonylContact C-O 3.5Å; R1088-G1167 PolarHBondContact N-O 2.79Å
1089	N	85	Confident	87.6	Confident	67 Å²	67	21.7 Å²	21.7	36%	0.358	12%	0.116	S	C	.	.	S	Bend	trans	47.9	39.6	-172	-56.4	-14.1	0	0	0	112.2	G1167 D1169	N1089-G1167 PolarHBondContact N-O 3.49Å; N1089-D1169 HydrophobicContact CB-CB 4.19Å
1090	A	84.4	Confident	87.4	Confident	9 Å²	9	21.7 Å²	21.7	7%	0.074	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	143	-180	0	0	0	0	0	110.9	A1087 R1088 V1123 G1167 G1168 D1169	A1087-A1090 HydrophobicContact CB-CB 4.12Å; R1088-A1090 PolarHBondContact O-N 2.83Å; A1090-V1123 HydrophobicContact CB-CG2 4.21Å; A1090-G1167 PolarHBondContact N-O 3.01Å; A1090-G1168 CarbonylContact O-C 3.54Å; A1090-G1168 VanDerWaalsContact O-CA 3.27Å; A1090-G1168 WeakPolarHBondContact O-CA 3.45Å; A1090-D1169 PolarHBondContact O-N 3.49Å
1091	P	92.9	Very high	87.4	Confident	17 Å²	17	21 Å²	21	11%	0.11	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	144.1	175.4	-24.5	33.9	0	0	0	112	Q1122 V1123 V1453 R1454	P1091-Q1122 HydrophobicContact CB-CG 4.36Å; P1091-Q1122 WeakPolarHBondContact O-CA 3.43Å; P1091-Q1122 WeakPolarHBondContact O-CB 3.08Å; P1091-V1123 PolarHBondContact O-N 2.76Å; P1091-V1453 HydrophobicContact CB-CG1 3.84Å; P1091-R1454 HydrophobicContact CG-CG 4.36Å
1092	V	95.9	Very high	87.1	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.7	-175.9	-175.4	0	0	0	0	109	V1094 V1123 V1125 I1159 I1163 S1172 V1173 T1174	V1092-V1094 HydrophobicContact CG1-CG2 3.99Å; V1092-V1123 CarbonylContact C-O 3.41Å; V1092-V1123 WeakPolarHBondContact CA-O 3.21Å; V1092-V1123 HydrophobicContact CG2-CB 4.41Å; V1092-V1125 HydrophobicContact CG1-CG2 3.97Å; V1092-I1159 HydrophobicContact CG1-CG2 4.31Å; V1092-I1163 HydrophobicContact CG1-CD1 4.4Å; V1092-I1163 HydrophobicContact CG1-CG1 3.94Å; V1092-I1163 HydrophobicContact CG2-CG1 3.77Å; V1092-I1163 HydrophobicContact CG2-CG2 4.09Å; V1092-S1172 PolarHBondContact N-O 3.33Å; V1092-V1173 HydrophobicContact CB-CG2 4.11Å; V1092-V1173 HydrophobicContact CG2-CG2 4.4Å; V1092-T1174 PolarHBondContact O-N 2.79Å
1093	L	96.1	Very high	86.8	Confident	5 Å²	5	25.5 Å²	25.5	3%	0.026	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.8	174.1	-175.9	63.2	0	0	0	109.5	L1116 V1123 I1124 V1125 T1174 M1176 I1202 V1453	L1093-L1116 HydrophobicContact CD2-CD2 4.02Å; L1093-V1123 PolarHBondContact N-O 2.73Å; L1093-I1124 HydrophobicContact CB-CD1 3.88Å; L1093-I1124 HydrophobicContact CD2-CD1 4.14Å; L1093-V1125 PolarHBondContact O-N 2.72Å; L1093-T1174 HydrophobicContact CD1-CG2 3.82Å; L1093-M1176 HydrophobicContact CD1-CB 3.83Å; L1093-M1176 HydrophobicContact CD1-SD 4.1Å; L1093-M1176 HydrophobicContact CD2-SD 3.93Å; L1093-M1176 HydrophobicContact CG-SD 4.16Å; L1093-I1202 HydrophobicContact CD1-CD1 4.11Å; L1093-V1453 HydrophobicContact CD1-CG2 4.14Å
1094	V	97.9	Very high	86.6	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	111.9	-175.8	-172.1	0	0	0	0	110.1	V1092 V1125 I1127 L1156 I1159 V1173 T1174 I1175 M1176	V1092-V1094 HydrophobicContact CG1-CG2 3.99Å; V1094-V1125 CarbonylContact C-O 3.43Å; V1094-V1125 WeakPolarHBondContact CA-O 3.33Å; V1094-V1125 HydrophobicContact CG2-CB 4.42Å; V1094-I1127 HydrophobicContact CG1-CG2 3.98Å; V1094-L1156 HydrophobicContact CB-CD2 4.43Å; V1094-L1156 HydrophobicContact CG1-CD2 4Å; V1094-L1156 HydrophobicContact CG2-CD2 4.41Å; V1094-I1159 HydrophobicContact CB-CD1 4.47Å; V1094-I1159 HydrophobicContact CG1-CD1 3.7Å; V1094-I1159 HydrophobicContact CG2-CD1 3.87Å; V1094-I1159 HydrophobicContact CG2-CG2 4.42Å; V1094-V1173 HydrophobicContact CG2-CG1 3.78Å; V1094-T1174 PolarHBondContact N-O 3.39Å; V1094-I1175 HydrophobicContact CB-CG2 4.28Å; V1094-M1176 PolarHBondContact O-N 3.15Å
1095	W	97.2	Very high	87.1	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	126	-179.2	175.1	-128.1	0	0	0	112.7	Y1111 V1125 A1126 I1127 M1176 G1177 E1178 L1418 F1422	W1095-Y1111 AromaticContact CD1-CG 3.93Å; W1095-Y1111 AromaticContact CE2-CD1 3.8Å; W1095-Y1111 AromaticContact CE2-CE1 3.89Å; W1095-Y1111 AromaticContact CZ2-CD1 3.79Å; W1095-Y1111 HydrophobicContact CZ2-CD1 3.79Å; W1095-Y1111 AromaticContact CZ2-CE1 3.45Å; W1095-Y1111 HydrophobicContact CZ2-CE1 3.45Å; W1095-Y1111 VanDerWaalsContact CZ2-CE1 3.45Å; W1095-Y1111 HydrophobicContact CZ2-CE2 4.42Å; W1095-Y1111 HydrophobicContact CZ2-CG 4.46Å; W1095-Y1111 AromaticContact CZ2-CZ 3.79Å; W1095-Y1111 AromaticContact NE1-CD1 3.35Å; W1095-Y1111 VanDerWaalsContact NE1-CD1 3.35Å; W1095-Y1111 AromaticContact NE1-CD2 3.31Å; W1095-Y1111 VanDerWaalsContact NE1-CD2 3.31Å; W1095-Y1111 AromaticContact NE1-CE1 3.73Å; W1095-Y1111 AromaticContact NE1-CE2 3.65Å; W1095-Y1111 AromaticContact NE1-CG 3.15Å; W1095-Y1111 AromaticContact NE1-CZ 3.86Å; W1095-V1125 PolarHBondContact N-O 3.15Å; W1095-A1126 HydrophobicContact CB-CB 4.19Å; W1095-I1127 PolarHBondContact O-N 2.71Å; W1095-I1127 VanDerWaalsContact O-N 3.12Å; W1095-M1176 WeakPolarHBondContact CA-O 3.22Å; W1095-M1176 HydrophobicContact CD2-CE 4.1Å; W1095-M1176 HydrophobicContact CE3-CB 4.35Å; W1095-M1176 HydrophobicContact CE3-CE 3.34Å; W1095-M1176 HydrophobicContact CE3-CG 3.69Å; W1095-M1176 HydrophobicContact CE3-SD 3.89Å; W1095-M1176 HydrophobicContact CH2-CE 3.99Å; W1095-M1176 HydrophobicContact CZ3-CE 3.26Å; W1095-M1176 HydrophobicContact CZ3-CG 3.87Å; W1095-M1176 HydrophobicContact CZ3-SD 4.24Å; W1095-G1177 VanDerWaalsContact CZ3-CA 3.49Å; W1095-E1178 HydrophobicContact CH2-CB 3.54Å; W1095-E1178 HydrophobicContact CZ3-CB 4.12Å; W1095-L1418 HydrophobicContact CH2-CD1 3.72Å; W1095-L1418 HydrophobicContact CH2-CD2 3.77Å; W1095-L1418 HydrophobicContact CH2-CG 4.43Å; W1095-L1418 HydrophobicContact CZ2-CD1 3.9Å; W1095-L1418 HydrophobicContact CZ2-CD2 4.48Å; W1095-L1418 HydrophobicContact CZ3-CD2 4.42Å; W1095-F1422 HydrophobicContact CB-CZ 4.42Å; W1095-F1422 AromaticContact CD1-CZ 3.91Å; W1095-F1422 HydrophobicContact CD2-CE2 4.37Å; W1095-F1422 AromaticContact CD2-CZ 3.89Å; W1095-F1422 HydrophobicContact CD2-CZ 3.89Å; W1095-F1422 AromaticContact CE2-CZ 3.92Å; W1095-F1422 AromaticContact CG-CZ 3.85Å; W1095-F1422 HydrophobicContact CG-CZ 3.85Å; W1095-F1422 HydrophobicContact CZ2-CE2 4.18Å; W1095-F1422 HydrophobicContact CZ2-CZ 4.47Å; W1095-F1422 AromaticContact NE1-CZ 3.97Å
1096	I	97.5	Very high	88.2	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	114.7	171.1	-44.9	-175.5	0	0	0	107.6	I1127 Y1129 Q1152 M1176 G1177 G1181 V1185	I1096-I1127 HydrophobicContact CD1-CD1 4.34Å; I1096-I1127 HydrophobicContact CG1-CD1 3.98Å; I1096-I1127 HydrophobicContact CG1-CG1 4.27Å; I1096-Y1129 HydrophobicContact CG2-CD1 4.24Å; I1096-Y1129 HydrophobicContact CG2-CE1 3.72Å; I1096-Q1152 HydrophobicContact CG2-CG 4.47Å; I1096-M1176 PolarHBondContact N-O 2.77Å; I1096-G1177 WeakPolarHBondContact O-CA 3.42Å; I1096-G1181 WeakPolarHBondContact O-CA 3.43Å; I1096-V1185 HydrophobicContact CD1-CG2 4.14Å
1097	F	94.9	Very high	89	Confident	1 Å²	1	22.8 Å²	22.8	0%	0.004	14%	0.141	C	C	.	.			trans	-75.5	155.5	-176.5	65.1	-95.5	0	0	0	113.2	S1103 G1104 Y1111 Y1129 V1131 G1181	F1097-S1103 WeakPolarHBondContact CE2-O 3.47Å; F1097-G1104 VanDerWaalsContact CE2-CA 3.49Å; F1097-Y1111 HydrophobicContact CB-CD2 4.36Å; F1097-Y1111 HydrophobicContact CB-CE2 3.58Å; F1097-Y1129 HydrophobicContact CD1-CD1 4.32Å; F1097-Y1129 AromaticContact CD1-CE1 3.86Å; F1097-Y1129 HydrophobicContact CD1-CE1 3.86Å; F1097-Y1129 HydrophobicContact CD2-CE1 4.1Å; F1097-Y1129 AromaticContact CE1-CD1 3.62Å; F1097-Y1129 HydrophobicContact CE1-CD1 3.62Å; F1097-Y1129 AromaticContact CE1-CE1 3.44Å; F1097-Y1129 HydrophobicContact CE1-CE1 3.44Å; F1097-Y1129 VanDerWaalsContact CE1-CE1 3.44Å; F1097-Y1129 AromaticContact CE2-CE1 3.71Å; F1097-Y1129 HydrophobicContact CE2-CE1 3.71Å; F1097-Y1129 AromaticContact CE2-CZ 3.82Å; F1097-Y1129 HydrophobicContact CG-CE1 4.17Å; F1097-Y1129 AromaticContact CZ-CD1 3.74Å; F1097-Y1129 HydrophobicContact CZ-CD1 3.74Å; F1097-Y1129 AromaticContact CZ-CE1 3.37Å; F1097-Y1129 HydrophobicContact CZ-CE1 3.37Å; F1097-Y1129 HydrophobicContact CZ-CG 4.47Å; F1097-Y1129 AromaticContact CZ-CZ 3.84Å; F1097-Y1129 PolarHBondContact O-OH 3.23Å; F1097-V1131 HydrophobicContact CE2-CG1 4.21Å; F1097-V1131 HydrophobicContact CZ-CG1 4.35Å; F1097-G1181 WeakPolarHBondContact O-CA 3.14Å; F1097-G1181 PolarHBondContact O-N 3.32Å
1098	G	92.4	Very high	89.6	Confident	1 Å²	1	22 Å²	22	1%	0.01	13%	0.134	C	C	.	.			trans	-76	-127.8	177	0	0	0	0	0	115.9	E1178	G1098-E1178 WeakPolarHBondContact CA-O 3.3Å; G1098-E1178 VanDerWaalsContact CA-OE2 3.32Å; G1098-E1178 WeakPolarHBondContact CA-OE2 3.37Å; G1098-E1178 PolarHBondContact N-O 3.21Å; G1098-E1178 PolarHBondContact N-OE2 2.96Å
1099	G	88.9	Confident	89.9	Confident	28 Å²	28	18.1 Å²	18.1	29%	0.289	12%	0.123	S	C	.	.	S	Bend	trans	81.5	31	178.8	0	0	0	0	0	115.7	F1101 V1102 S1103	G1099-F1101 PolarHBondContact O-N 3.16Å; G1099-V1102 WeakPolarHBondContact O-CG2 3.48Å; G1099-V1102 PolarHBondContact O-N 3.01Å; G1099-S1103 PolarHBondContact O-N 3.25Å; G1099-S1103 PolarHBondContact O-OG 2.86Å
1100	G	89.7	Confident	89.9	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	21.8	170.6	0	0	0	0	0	115.9	V1102 F1266	G1100-V1102 PolarHBondContact O-N 3.37Å; G1100-V1102 VanDerWaalsContact O-N 3.15Å; G1100-F1266 VanDerWaalsContact O-CG 3.29Å; G1100-F1266 WeakPolarHBondContact O-CG 3.46Å
1101	F	92.4	Very high	90.1	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	11.4	-167.5	-57.8	-75.1	0	0	0	114.9	G1099 V1131 G1132 F1136 A1180 A1183 W1212 V1269 P1270	G1099-F1101 PolarHBondContact O-N 3.16Å; F1101-V1131 WeakPolarHBondContact O-CB 3.46Å; F1101-G1132 PolarHBondContact O-N 3.45Å; F1101-F1136 HydrophobicContact CB-CD2 4.19Å; F1101-F1136 HydrophobicContact CB-CE2 3.87Å; F1101-F1136 HydrophobicContact CB-CZ 4.42Å; F1101-F1136 HydrophobicContact CD1-CE1 4.34Å; F1101-F1136 AromaticContact CD1-CE2 3.79Å; F1101-F1136 HydrophobicContact CD1-CE2 3.79Å; F1101-F1136 AromaticContact CD1-CZ 3.54Å; F1101-F1136 HydrophobicContact CD1-CZ 3.54Å; F1101-F1136 HydrophobicContact CE1-CZ 4.12Å; F1101-F1136 HydrophobicContact CG-CE2 4.19Å; F1101-F1136 HydrophobicContact CG-CZ 4.25Å; F1101-A1180 HydrophobicContact CD1-CB 3.89Å; F1101-A1180 HydrophobicContact CD2-CB 3.76Å; F1101-A1180 HydrophobicContact CE1-CB 3.97Å; F1101-A1180 WeakPolarHBondContact CE1-O 3.48Å; F1101-A1180 HydrophobicContact CE2-CB 3.85Å; F1101-A1180 HydrophobicContact CG-CB 3.78Å; F1101-A1180 HydrophobicContact CZ-CB 3.96Å; F1101-A1180 WeakPolarHBondContact CZ-O 3.48Å; F1101-A1183 HydrophobicContact CE2-CB 4.08Å; F1101-A1183 HydrophobicContact CZ-CB 3.78Å; F1101-W1212 HydrophobicContact CE2-CZ3 4.28Å; F1101-V1269 HydrophobicContact CB-CG1 4.37Å; F1101-V1269 HydrophobicContact CD2-CB 4.2Å; F1101-V1269 HydrophobicContact CD2-CG1 4.05Å; F1101-P1270 HydrophobicContact CD1-CG 4.29Å; F1101-P1270 HydrophobicContact CD2-CG 4.34Å; F1101-P1270 HydrophobicContact CE1-CG 3.78Å; F1101-P1270 VanDerWaalsContact CE2-CD 3.46Å; F1101-P1270 HydrophobicContact CE2-CG 3.83Å; F1101-P1270 HydrophobicContact CZ-CG 3.52Å
1102	V	89.9	Confident	89.8	Confident	42 Å²	42	17.8 Å²	17.8	26%	0.255	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-18.5	-175.8	-66.3	0	0	0	0	114.3	G1099 G1100 M1260 F1266	G1099-V1102 WeakPolarHBondContact O-CG2 3.48Å; G1099-V1102 PolarHBondContact O-N 3.01Å; G1100-V1102 PolarHBondContact O-N 3.37Å; G1100-V1102 VanDerWaalsContact O-N 3.15Å; V1102-M1260 HydrophobicContact CG1-CE 4.5Å; V1102-M1260 HydrophobicContact CG1-SD 4.07Å; V1102-M1260 HydrophobicContact CG2-SD 4.46Å; V1102-F1266 HydrophobicContact CG1-CB 4.44Å; V1102-F1266 HydrophobicContact CG1-CD1 4.31Å; V1102-F1266 HydrophobicContact CG2-CD1 3.89Å; V1102-F1266 HydrophobicContact CG2-CE1 4.09Å
1103	S	86.7	Confident	89.3	Confident	55 Å²	55	17.8 Å²	17.8	39%	0.385	11%	0.113	S	C	.	.	S	Bend	trans	-146.1	176.7	178.4	66.6	0	0	0	0	111.9	F1097 G1099	F1097-S1103 WeakPolarHBondContact CE2-O 3.47Å; G1099-S1103 PolarHBondContact O-N 3.25Å; G1099-S1103 PolarHBondContact O-OG 2.86Å
1104	G	86.3	Confident	88.7	Confident	25 Å²	25	19.3 Å²	19.3	26%	0.258	12%	0.123	S	C	.	.			trans	115.1	170	175.5	0	0	0	0	0	114.6	F1097	F1097-G1104 VanDerWaalsContact CE2-CA 3.49Å
1105	S	88.1	Confident	87.9	Confident	18 Å²	18	21.7 Å²	21.7	13%	0.126	13%	0.134	C	C	.	.			trans	-170.5	148.5	178.5	-177.5	0	0	0	0	111.1	S1107 L1108 Y1111	S1105-S1107 WeakPolarHBondContact CB-OG 2.97Å; S1105-S1107 PolarHBondContact O-N 2.89Å; S1105-S1107 VanDerWaalsContact O-N 3.16Å; S1105-S1107 WeakPolarHBondContact OG-CB 3.46Å; S1105-S1107 PolarHBondContact OG-N 3.32Å; S1105-S1107 PolarHBondContact OG-OG 3.48Å; S1105-L1108 WeakPolarHBondContact O-CG 3.35Å; S1105-L1108 PolarHBondContact O-N 2.83Å; S1105-Y1111 WeakPolarHBondContact O-CD2 3.47Å; S1105-Y1111 WeakPolarHBondContact O-CE2 3.32Å
1106	P	87.7	Confident	87.3	Confident	5 Å²	5	21.8 Å²	21.8	3%	0.032	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	1.2	168.7	34.1	-38.9	0	0	0	113.6	N1080 A1126 N1128	N1080-P1106 PolarHBondContact ND2-O 3.01Å; P1106-A1126 HydrophobicContact CB-CB 3.69Å; P1106-N1128 WeakPolarHBondContact CD-OD1 3.48Å; P1106-N1128 HydrophobicContact CG-CB 3.71Å
1107	S	82.4	Confident	86.8	Confident	51 Å²	51	21.8 Å²	21.8	36%	0.357	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.7	174.2	65.6	0	0	0	0	114.5	S1105 N1109	S1105-S1107 WeakPolarHBondContact CB-OG 2.97Å; S1105-S1107 PolarHBondContact O-N 2.89Å; S1105-S1107 VanDerWaalsContact O-N 3.16Å; S1105-S1107 WeakPolarHBondContact OG-CB 3.46Å; S1105-S1107 PolarHBondContact OG-N 3.32Å; S1105-S1107 PolarHBondContact OG-OG 3.48Å; S1107-N1109 PolarHBondContact O-N 2.9Å
1108	L	82.1	Confident	85.9	Confident	4 Å²	4	22.9 Å²	22.9	2%	0.021	14%	0.143	C	C	.	.	S	Bend	trans	-60.2	133.3	178.4	-65.5	-179.6	0	0	0	110.6	W1066 P1068 S1105 I1110 Y1111	W1066-L1108 HydrophobicContact CE3-CD1 4.48Å; W1066-L1108 WeakPolarHBondContact O-CD1 3.41Å; W1066-L1108 WeakPolarHBondContact O-CD2 3.4Å; P1068-L1108 HydrophobicContact CB-CD2 4.26Å; S1105-L1108 WeakPolarHBondContact O-CG 3.35Å; S1105-L1108 PolarHBondContact O-N 2.83Å; L1108-I1110 HydrophobicContact CB-CG2 4Å; L1108-I1110 PolarHBondContact O-N 3.01Å; L1108-I1110 VanDerWaalsContact O-N 3.07Å; L1108-Y1111 HydrophobicContact CB-CD2 3.92Å; L1108-Y1111 HydrophobicContact CB-CE2 4.01Å; L1108-Y1111 HydrophobicContact CD1-CD2 4.48Å; L1108-Y1111 HydrophobicContact CD1-CE2 3.74Å; L1108-Y1111 HydrophobicContact CG-CE2 4.26Å; L1108-Y1111 PolarHBondContact O-N 3.15Å
1109	N	79.6	Confident	84.8	Confident	51 Å²	51	24.2 Å²	24.2	27%	0.273	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-59.7	-31.7	-169.7	-163.3	34.7	0	0	0	112.1	S1107 Y1111 R1112 R1427 E1429 Y1430	S1107-N1109 PolarHBondContact O-N 2.9Å; N1109-Y1111 VanDerWaalsContact C-N 3.29Å; N1109-Y1111 PolarHBondContact O-N 2.86Å; N1109-R1112 PolarHBondContact O-N 3.3Å; N1109-R1112 WeakPolarHBondContact OD1-CD 3.21Å; N1109-R1427 PolarHBondContact O-NH1 2.63Å; N1109-E1429 PolarHBondContact ND2-OE2 3.37Å; N1109-Y1430 PolarHBondContact ND2-OH 3.04Å; N1109-Y1430 VanDerWaalsContact ND2-OH 3.08Å
1110	I	84	Confident	84.2	Confident	4 Å²	4	23 Å²	23	2%	0.021	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-52.1	-46	174.5	176.9	155.1	0	0	0	111.7	M1065 W1066 L1108 R1112 L1418 E1419 F1422 L1424 R1427	M1065-I1110 HydrophobicContact CG-CB 4.23Å; M1065-I1110 HydrophobicContact CG-CD1 4.48Å; M1065-I1110 HydrophobicContact CG-CG2 4.2Å; M1065-I1110 HydrophobicContact SD-CB 4.47Å; M1065-I1110 HydrophobicContact SD-CD1 3.74Å; W1066-I1110 HydrophobicContact CH2-CD1 4.11Å; W1066-I1110 HydrophobicContact CZ3-CD1 4.42Å; W1066-I1110 HydrophobicContact CZ3-CG2 4.3Å; L1108-I1110 HydrophobicContact CB-CG2 4Å; L1108-I1110 PolarHBondContact O-N 3.01Å; L1108-I1110 VanDerWaalsContact O-N 3.07Å; I1110-R1112 VanDerWaalsContact C-N 3.29Å; I1110-R1112 PolarHBondContact O-N 3.35Å; I1110-R1112 VanDerWaalsContact O-N 3.17Å; I1110-L1418 HydrophobicContact CD1-CB 3.82Å; I1110-L1418 HydrophobicContact CG1-CB 4.33Å; I1110-E1419 HydrophobicContact CD1-CB 4.34Å; I1110-F1422 WeakPolarHBondContact O-CB 3.23Å; I1110-F1422 WeakPolarHBondContact O-CG 3.25Å; I1110-L1424 HydrophobicContact CB-CD1 3.94Å; I1110-L1424 HydrophobicContact CD1-CD1 4.16Å; I1110-L1424 HydrophobicContact CG1-CD1 3.93Å; I1110-R1427 PolarHBondContact O-NH2 2.71Å
1111	Y	88.8	Confident	83.6	Confident	5 Å²	5	24 Å²	24	2%	0.02	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-79	5.4	-173.7	-49.5	-32.2	0	0	0	116	W1066 W1095 F1097 S1105 L1108 N1109 G1113 L1418 F1422	W1066-Y1111 HydrophobicContact CZ3-CE1 4.32Å; W1095-Y1111 AromaticContact CD1-CG 3.93Å; W1095-Y1111 AromaticContact CE2-CD1 3.8Å; W1095-Y1111 AromaticContact CE2-CE1 3.89Å; W1095-Y1111 AromaticContact CZ2-CD1 3.79Å; W1095-Y1111 HydrophobicContact CZ2-CD1 3.79Å; W1095-Y1111 AromaticContact CZ2-CE1 3.45Å; W1095-Y1111 HydrophobicContact CZ2-CE1 3.45Å; W1095-Y1111 VanDerWaalsContact CZ2-CE1 3.45Å; W1095-Y1111 HydrophobicContact CZ2-CE2 4.42Å; W1095-Y1111 HydrophobicContact CZ2-CG 4.46Å; W1095-Y1111 AromaticContact CZ2-CZ 3.79Å; W1095-Y1111 AromaticContact NE1-CD1 3.35Å; W1095-Y1111 VanDerWaalsContact NE1-CD1 3.35Å; W1095-Y1111 AromaticContact NE1-CD2 3.31Å; W1095-Y1111 VanDerWaalsContact NE1-CD2 3.31Å; W1095-Y1111 AromaticContact NE1-CE1 3.73Å; W1095-Y1111 AromaticContact NE1-CE2 3.65Å; W1095-Y1111 AromaticContact NE1-CG 3.15Å; W1095-Y1111 AromaticContact NE1-CZ 3.86Å; F1097-Y1111 HydrophobicContact CB-CD2 4.36Å; F1097-Y1111 HydrophobicContact CB-CE2 3.58Å; S1105-Y1111 WeakPolarHBondContact O-CD2 3.47Å; S1105-Y1111 WeakPolarHBondContact O-CE2 3.32Å; L1108-Y1111 HydrophobicContact CB-CD2 3.92Å; L1108-Y1111 HydrophobicContact CB-CE2 4.01Å; L1108-Y1111 HydrophobicContact CD1-CD2 4.48Å; L1108-Y1111 HydrophobicContact CD1-CE2 3.74Å; L1108-Y1111 HydrophobicContact CG-CE2 4.26Å; L1108-Y1111 PolarHBondContact O-N 3.15Å; N1109-Y1111 VanDerWaalsContact C-N 3.29Å; N1109-Y1111 PolarHBondContact O-N 2.86Å; Y1111-G1113 PolarHBondContact O-N 2.88Å; Y1111-L1418 HydrophobicContact CE1-CD1 4.04Å; Y1111-F1422 HydrophobicContact CD1-CD2 4.23Å; Y1111-F1422 AromaticContact CD1-CE2 3.86Å; Y1111-F1422 HydrophobicContact CD1-CE2 3.86Å; Y1111-F1422 HydrophobicContact CD1-CZ 4.29Å; Y1111-F1422 WeakPolarHBondContact O-CE1 3.42Å
1112	R	86.3	Confident	83.3	Confident	77 Å²	77	24.2 Å²	24.2	29%	0.291	15%	0.151	S	C	.	.			trans	-62.5	115.2	179	-69.5	-166.7	72.8	-171.4	2.7	110.8	E1002 W1082 N1109 I1110 P1114 R1427	E1002-R1112 IonicContact OE1-CZ 3.67Å; E1002-R1112 IonicContact OE1-NE 2.71Å; E1002-R1112 IonicContact OE1-NH2 3.77Å; E1002-R1112 PolarHBondContact OE1-NH2 3.14Å; E1002-R1112 IonicContact OE2-NH2 3.22Å; E1002-R1112 PolarHBondContact OE2-NH2 2.77Å; W1082-R1112 HydrophobicContact CZ2-CB 4.5Å; N1109-R1112 PolarHBondContact O-N 3.3Å; N1109-R1112 WeakPolarHBondContact OD1-CD 3.21Å; I1110-R1112 VanDerWaalsContact C-N 3.29Å; I1110-R1112 PolarHBondContact O-N 3.35Å; I1110-R1112 VanDerWaalsContact O-N 3.17Å; R1112-P1114 VanDerWaalsContact O-CD 3.31Å; R1112-P1114 WeakPolarHBondContact O-CD 3.15Å; R1112-R1427 PolarHBondContact O-NH2 2.75Å; R1112-R1427 VanDerWaalsContact O-NH2 3.11Å
1113	G	85.9	Confident	83.5	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.139	C	C	.	.			trans	-83.5	0.3	-175.8	0	0	0	0	0	119.6	Y1111 F1115 L1116 A1117	Y1111-G1113 PolarHBondContact O-N 2.88Å; G1113-F1115 VanDerWaalsContact C-N 3.34Å; G1113-F1115 PolarHBondContact O-N 2.79Å; G1113-L1116 PolarHBondContact O-N 3Å; G1113-A1117 WeakPolarHBondContact O-CB 3.14Å; G1113-A1117 PolarHBondContact O-N 2.71Å
1114	P	83.4	Confident	83.9	Confident	37 Å²	37	19.6 Å²	19.6	24%	0.24	12%	0.121	C	C	.	.	H	α-helix	trans	-71.1	-29.2	-170.9	28.4	-31.2	0	0	0	112.9	V1000 W1082 R1112 A1118	V1000-P1114 HydrophobicContact CG1-CB 4.18Å; W1082-P1114 HydrophobicContact CG-CB 4.39Å; R1112-P1114 VanDerWaalsContact O-CD 3.31Å; R1112-P1114 WeakPolarHBondContact O-CD 3.15Å; P1114-A1118 VanDerWaalsContact O-CB 3.26Å; P1114-A1118 WeakPolarHBondContact O-CB 3.17Å; P1114-A1118 PolarHBondContact O-N 2.65Å
1115	F	81.2	Confident	84.4	Confident	50 Å²	50	18.4 Å²	18.4	22%	0.219	11%	0.108	C	C	.	.	H	α-helix	trans	-67.2	-47.8	172	-169.6	-83.3	0	0	0	110.7	G1113 A1117 A1118 S1119 L1426 Y1443 I1446	G1113-F1115 VanDerWaalsContact C-N 3.34Å; G1113-F1115 PolarHBondContact O-N 2.79Å; F1115-A1117 PolarHBondContact O-N 3.29Å; F1115-A1118 PolarHBondContact O-N 2.84Å; F1115-S1119 WeakPolarHBondContact O-CB 3.46Å; F1115-S1119 PolarHBondContact O-N 3.25Å; F1115-S1119 PolarHBondContact O-OG 3.09Å; F1115-L1426 HydrophobicContact CD1-CD1 4.2Å; F1115-L1426 HydrophobicContact CD2-CB 4.22Å; F1115-L1426 HydrophobicContact CE1-CB 4.11Å; F1115-L1426 HydrophobicContact CE1-CD1 3.33Å; F1115-L1426 HydrophobicContact CE1-CG 4.33Å; F1115-L1426 HydrophobicContact CE2-CB 3.73Å; F1115-L1426 HydrophobicContact CE2-CD1 4.35Å; F1115-L1426 HydrophobicContact CZ-CB 3.68Å; F1115-L1426 HydrophobicContact CZ-CD1 3.43Å; F1115-L1426 VanDerWaalsContact CZ-CD1 3.43Å; F1115-L1426 HydrophobicContact CZ-CG 4.14Å; F1115-Y1443 HydrophobicContact CZ-CE1 4.24Å; F1115-I1446 HydrophobicContact CD1-CD1 4.04Å; F1115-I1446 HydrophobicContact CE1-CD1 3.93Å
1116	L	85.4	Confident	84.8	Confident	4 Å²	4	17.6 Å²	17.6	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-60.5	-45.4	179.1	-173.4	64.8	0	0	0	111.3	L1093 G1113 A1118 S1119 T1120 I1124 F1422 I1446	L1093-L1116 HydrophobicContact CD2-CD2 4.02Å; G1113-L1116 PolarHBondContact O-N 3Å; L1116-A1118 PolarHBondContact O-N 2.76Å; L1116-S1119 PolarHBondContact O-N 2.85Å; L1116-S1119 PolarHBondContact O-OG 2.9Å; L1116-T1120 HydrophobicContact CD1-CG2 3.67Å; L1116-T1120 HydrophobicContact CG-CG2 4.32Å; L1116-T1120 VanDerWaalsContact O-CB 3.29Å; L1116-T1120 WeakPolarHBondContact O-CB 3.49Å; L1116-T1120 VanDerWaalsContact O-CG2 3.28Å; L1116-T1120 WeakPolarHBondContact O-CG2 3.31Å; L1116-T1120 PolarHBondContact O-N 3.05Å; L1116-T1120 PolarHBondContact O-OG1 3.47Å; L1116-I1124 HydrophobicContact CB-CG1 4.29Å; L1116-I1124 HydrophobicContact CD2-CD1 3.81Å; L1116-I1124 HydrophobicContact CD2-CG1 4.19Å; L1116-I1124 HydrophobicContact CD2-CG2 4.34Å; L1116-I1124 HydrophobicContact CG-CD1 3.84Å; L1116-I1124 HydrophobicContact CG-CG1 4.14Å; L1116-F1422 HydrophobicContact CD2-CD1 4.38Å; L1116-F1422 HydrophobicContact CD2-CE1 4.47Å; L1116-I1446 HydrophobicContact CD1-CG1 4.19Å; L1116-I1446 HydrophobicContact CD1-CG2 4.12Å
1117	A	86.6	Confident	85.2	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.8	-47.2	174.1	0	0	0	0	0	112.1	V1000 W1082 G1113 F1115 G1121 I1124	V1000-A1117 HydrophobicContact CG1-CB 4.08Å; V1000-A1117 HydrophobicContact CG2-CB 4.05Å; W1082-A1117 HydrophobicContact CB-CB 3.86Å; G1113-A1117 WeakPolarHBondContact O-CB 3.14Å; G1113-A1117 PolarHBondContact O-N 2.71Å; F1115-A1117 PolarHBondContact O-N 3.29Å; A1117-G1121 WeakPolarHBondContact O-CA 3.33Å; A1117-G1121 PolarHBondContact O-N 2.9Å; A1117-I1124 HydrophobicContact CB-CG1 3.88Å
1118	A	75.3	Confident	85.8	Confident	23 Å²	23	16 Å²	16	19%	0.19	9%	0.09	C	C	.	.	H	α-helix	trans	-66.6	-39.8	-179	0	0	0	0	0	113.4	V1000 P1114 F1115 L1116	V1000-A1118 HydrophobicContact CG2-CB 3.79Å; P1114-A1118 VanDerWaalsContact O-CB 3.26Å; P1114-A1118 WeakPolarHBondContact O-CB 3.17Å; P1114-A1118 PolarHBondContact O-N 2.65Å; F1115-A1118 PolarHBondContact O-N 2.84Å; L1116-A1118 PolarHBondContact O-N 2.76Å
1119	S	70.7	Confident	86.4	Confident	29 Å²	29	16 Å²	16	20%	0.203	9%	0.089	C	C	.	.	H	α-helix	trans	-81.1	-32.9	-177.2	62.7	0	0	0	0	113.3	F1115 L1116	F1115-S1119 WeakPolarHBondContact O-CB 3.46Å; F1115-S1119 PolarHBondContact O-N 3.25Å; F1115-S1119 PolarHBondContact O-OG 3.09Å; L1116-S1119 PolarHBondContact O-N 2.85Å; L1116-S1119 PolarHBondContact O-OG 2.9Å
1120	T	76.7	Confident	87.1	Confident	3 Å²	3	13.9 Å²	13.9	2%	0.018	8%	0.078	C	C	.	.	H	α-helix	trans	-95.3	-21.9	-177.5	66.7	0	0	0	0	113.6	L1116 Q1122 I1446 N1450 R1454	L1116-T1120 HydrophobicContact CD1-CG2 3.67Å; L1116-T1120 HydrophobicContact CG-CG2 4.32Å; L1116-T1120 VanDerWaalsContact O-CB 3.29Å; L1116-T1120 WeakPolarHBondContact O-CB 3.49Å; L1116-T1120 VanDerWaalsContact O-CG2 3.28Å; L1116-T1120 WeakPolarHBondContact O-CG2 3.31Å; L1116-T1120 PolarHBondContact O-N 3.05Å; L1116-T1120 PolarHBondContact O-OG1 3.47Å; T1120-Q1122 PolarHBondContact O-N 3.15Å; T1120-Q1122 WeakPolarHBondContact OG1-CB 3.42Å; T1120-Q1122 WeakPolarHBondContact OG1-CG 3.41Å; T1120-Q1122 PolarHBondContact OG1-N 3.11Å; T1120-I1446 HydrophobicContact CG2-CG2 3.79Å; T1120-N1450 WeakPolarHBondContact CB-OD1 3.44Å; T1120-N1450 HydrophobicContact CG2-CB 3.85Å; T1120-N1450 PolarHBondContact O-OD1 3.22Å; T1120-R1454 PolarHBondContact O-NE 2.84Å; T1120-R1454 PolarHBondContact O-NH2 3.24Å
1121	G	75.4	Confident	87.6	Confident	22 Å²	22	15.3 Å²	15.3	23%	0.227	9%	0.086	C	C	.	.			trans	69.2	19.9	-171.9	0	0	0	0	0	114	A1117	A1117-G1121 WeakPolarHBondContact O-CA 3.33Å; A1117-G1121 PolarHBondContact O-N 2.9Å
1122	Q	87.5	Confident	87.8	Confident	3 Å²	3	15.2 Å²	15.2	1%	0.014	9%	0.087	C	C	.	.			trans	-94.9	159.7	177.9	-60.2	172.2	19.8	0	0	111.2	P1084 P1091 T1120 I1124 N1450 V1453	P1084-Q1122 WeakPolarHBondContact CD-O 3.28Å; P1091-Q1122 HydrophobicContact CB-CG 4.36Å; P1091-Q1122 WeakPolarHBondContact O-CA 3.43Å; P1091-Q1122 WeakPolarHBondContact O-CB 3.08Å; T1120-Q1122 PolarHBondContact O-N 3.15Å; T1120-Q1122 WeakPolarHBondContact OG1-CB 3.42Å; T1120-Q1122 WeakPolarHBondContact OG1-CG 3.41Å; T1120-Q1122 PolarHBondContact OG1-N 3.11Å; Q1122-I1124 HydrophobicContact CB-CD1 3.85Å; Q1122-N1450 PolarHBondContact NE2-OD1 3.15Å; Q1122-V1453 HydrophobicContact CG-CG1 4.39Å
1123	V	93.1	Very high	88.1	Confident	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	113.2	166.6	-176	0	0	0	0	108.7	I1081 A1087 A1090 P1091 V1092 L1093 V1125 I1163	I1081-V1123 HydrophobicContact CG2-CG1 3.72Å; A1087-V1123 HydrophobicContact CB-CG2 4.25Å; A1090-V1123 HydrophobicContact CB-CG2 4.21Å; P1091-V1123 PolarHBondContact O-N 2.76Å; V1092-V1123 CarbonylContact C-O 3.41Å; V1092-V1123 WeakPolarHBondContact CA-O 3.21Å; V1092-V1123 HydrophobicContact CG2-CB 4.41Å; L1093-V1123 PolarHBondContact N-O 2.73Å; V1123-V1125 HydrophobicContact CG1-CG2 4.38Å; V1123-I1163 HydrophobicContact CG1-CD1 3.79Å; V1123-I1163 HydrophobicContact CG1-CG1 4.23Å
1124	I	95.1	Very high	88.5	Confident	1 Å²	1	13 Å²	13	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.8	-179.1	-47.6	-56.7	0	0	0	108.5	I1081 W1082 L1093 L1116 A1117 Q1122	I1081-I1124 CarbonylContact C-O 2.95Å; I1081-I1124 WeakPolarHBondContact CA-O 3.36Å; W1082-I1124 HydrophobicContact CB-CB 4.37Å; W1082-I1124 HydrophobicContact CE3-CB 4.16Å; W1082-I1124 HydrophobicContact CE3-CG2 4.01Å; W1082-I1124 HydrophobicContact CZ3-CG2 4.42Å; W1082-I1124 PolarHBondContact N-O 2.79Å; W1082-I1124 PolarHBondContact O-N 2.73Å; L1093-I1124 HydrophobicContact CB-CD1 3.88Å; L1093-I1124 HydrophobicContact CD2-CD1 4.14Å; L1116-I1124 HydrophobicContact CB-CG1 4.29Å; L1116-I1124 HydrophobicContact CD2-CD1 3.81Å; L1116-I1124 HydrophobicContact CD2-CG1 4.19Å; L1116-I1124 HydrophobicContact CD2-CG2 4.34Å; L1116-I1124 HydrophobicContact CG-CD1 3.84Å; L1116-I1124 HydrophobicContact CG-CG1 4.14Å; A1117-I1124 HydrophobicContact CB-CG1 3.88Å; Q1122-I1124 HydrophobicContact CB-CD1 3.85Å
1125	V	97.6	Very high	89	Confident	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.8	176.8	-171.4	0	0	0	0	108.9	L1079 N1080 I1081 V1092 L1093 V1094 W1095 V1123 I1127 I1159 I1163	L1079-V1125 HydrophobicContact CB-CG1 4.25Å; L1079-V1125 HydrophobicContact CD1-CG1 4.17Å; L1079-V1125 HydrophobicContact CD2-CG1 4.37Å; N1080-V1125 CarbonylContact O-C 3.24Å; N1080-V1125 VanDerWaalsContact O-CA 3.27Å; N1080-V1125 WeakPolarHBondContact O-CA 3.37Å; I1081-V1125 HydrophobicContact CG1-CG1 4.24Å; I1081-V1125 HydrophobicContact CG1-CG2 4.27Å; V1092-V1125 HydrophobicContact CG1-CG2 3.97Å; L1093-V1125 PolarHBondContact O-N 2.72Å; V1094-V1125 CarbonylContact C-O 3.43Å; V1094-V1125 WeakPolarHBondContact CA-O 3.33Å; V1094-V1125 HydrophobicContact CG2-CB 4.42Å; W1095-V1125 PolarHBondContact N-O 3.15Å; V1123-V1125 HydrophobicContact CG1-CG2 4.38Å; V1125-I1127 HydrophobicContact CG1-CG2 4.15Å; V1125-I1159 HydrophobicContact CB-CD1 4.35Å; V1125-I1159 HydrophobicContact CG1-CD1 3.8Å; V1125-I1159 HydrophobicContact CG1-CG1 4.24Å; V1125-I1163 HydrophobicContact CG2-CD1 3.69Å
1126	A	96.7	Very high	89.6	Confident	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.3	171.5	0	0	0	0	0	109.8	L1079 N1080 W1082 W1095 P1106	L1079-A1126 WeakPolarHBondContact CA-O 3.27Å; N1080-A1126 PolarHBondContact N-O 3.4Å; N1080-A1126 PolarHBondContact O-N 3.49Å; W1082-A1126 HydrophobicContact CH2-CB 4.19Å; W1082-A1126 HydrophobicContact CZ3-CB 3.79Å; W1095-A1126 HydrophobicContact CB-CB 4.19Å; P1106-A1126 HydrophobicContact CB-CB 3.69Å
1127	I	95.9	Very high	90	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	142.7	-173.1	69.6	173.8	0	0	0	111.4	L1079 V1094 W1095 I1096 V1125 Q1152 A1155 I1159	L1079-I1127 HydrophobicContact CB-CB 4.48Å; L1079-I1127 HydrophobicContact CB-CG2 4.06Å; L1079-I1127 HydrophobicContact CD2-CG2 4.37Å; V1094-I1127 HydrophobicContact CG1-CG2 3.98Å; W1095-I1127 PolarHBondContact O-N 2.71Å; W1095-I1127 VanDerWaalsContact O-N 3.12Å; I1096-I1127 HydrophobicContact CD1-CD1 4.34Å; I1096-I1127 HydrophobicContact CG1-CD1 3.98Å; I1096-I1127 HydrophobicContact CG1-CG1 4.27Å; V1125-I1127 HydrophobicContact CG1-CG2 4.15Å; I1127-Q1152 HydrophobicContact CD1-CB 4.05Å; I1127-Q1152 HydrophobicContact CD1-CG 3.96Å; I1127-A1155 HydrophobicContact CB-CB 4.15Å; I1127-A1155 HydrophobicContact CD1-CB 4.01Å; I1127-A1155 HydrophobicContact CG2-CB 3.86Å; I1127-I1159 HydrophobicContact CG2-CD1 4.16Å
1128	N	94.3	Very high	90.3	Very high	22 Å²	22	8.9 Å²	8.9	12%	0.118	6%	0.059	C	C	.	.			trans	-97	148.9	167	-154	24.4	0	0	0	110	Y1008 C1076 T1078 P1106	Y1008-N1128 WeakPolarHBondContact CE1-O 3.3Å; Y1008-N1128 PolarHBondContact OH-O 2.69Å; C1076-N1128 VanDerWaalsContact O-CB 3.32Å; C1076-N1128 WeakPolarHBondContact O-CB 3.23Å; C1076-N1128 PolarHBondContact O-ND2 2.95Å; T1078-N1128 VanDerWaalsContact O-CB 3.23Å; T1078-N1128 WeakPolarHBondContact O-CB 3.32Å; T1078-N1128 PolarHBondContact O-N 3.31Å; P1106-N1128 WeakPolarHBondContact CD-OD1 3.48Å; P1106-N1128 HydrophobicContact CG-CB 3.71Å
1129	Y	95.3	Very high	91	Very high	4 Å²	4	7.9 Å²	7.9	2%	0.016	5%	0.05	C	C	.	.			trans	-149.9	160.1	179.2	63.9	-86.7	0	0	0	110.6	I1096 F1097 V1131 Q1152	I1096-Y1129 HydrophobicContact CG2-CD1 4.24Å; I1096-Y1129 HydrophobicContact CG2-CE1 3.72Å; F1097-Y1129 HydrophobicContact CD1-CD1 4.32Å; F1097-Y1129 AromaticContact CD1-CE1 3.86Å; F1097-Y1129 HydrophobicContact CD1-CE1 3.86Å; F1097-Y1129 HydrophobicContact CD2-CE1 4.1Å; F1097-Y1129 AromaticContact CE1-CD1 3.62Å; F1097-Y1129 HydrophobicContact CE1-CD1 3.62Å; F1097-Y1129 AromaticContact CE1-CE1 3.44Å; F1097-Y1129 HydrophobicContact CE1-CE1 3.44Å; F1097-Y1129 VanDerWaalsContact CE1-CE1 3.44Å; F1097-Y1129 AromaticContact CE2-CE1 3.71Å; F1097-Y1129 HydrophobicContact CE2-CE1 3.71Å; F1097-Y1129 AromaticContact CE2-CZ 3.82Å; F1097-Y1129 HydrophobicContact CG-CE1 4.17Å; F1097-Y1129 AromaticContact CZ-CD1 3.74Å; F1097-Y1129 HydrophobicContact CZ-CD1 3.74Å; F1097-Y1129 AromaticContact CZ-CE1 3.37Å; F1097-Y1129 HydrophobicContact CZ-CE1 3.37Å; F1097-Y1129 HydrophobicContact CZ-CG 4.47Å; F1097-Y1129 AromaticContact CZ-CZ 3.84Å; F1097-Y1129 PolarHBondContact O-OH 3.23Å; Y1129-V1131 HydrophobicContact CD2-CG1 4.22Å; Y1129-V1131 HydrophobicContact CE2-CG1 3.76Å; Y1129-Q1152 HydrophobicContact CD1-CG 4.06Å; Y1129-Q1152 HydrophobicContact CD2-CG 4.34Å; Y1129-Q1152 HydrophobicContact CG-CG 3.82Å; Y1129-Q1152 VanDerWaalsContact CG-NE2 3.32Å; Y1129-Q1152 VanDerWaalsContact CZ-NE2 3.31Å
1130	R	94.9	Very high	91.7	Very high	8 Å²	8	7.5 Å²	7.5	3%	0.03	5%	0.05	C	C	.	.			trans	-70.3	132.8	177.7	-75.3	175.2	-72.3	178.9	-7.8	111.7	P1012 R1017 L1019 L1077 F1134 G1135 D1151	P1012-R1130 HydrophobicContact CG-CG 4.3Å; R1017-R1130 PolarHBondContact O-NH1 3.2Å; L1019-R1130 VanDerWaalsContact O-CZ 3.31Å; L1019-R1130 PolarHBondContact O-NH1 3.2Å; L1019-R1130 PolarHBondContact O-NH2 2.94Å; L1077-R1130 HydrophobicContact CD2-CG 4.27Å; R1130-F1134 HydrophobicContact CB-CB 4.13Å; R1130-F1134 WeakPolarHBondContact CD-O 3.42Å; R1130-F1134 HydrophobicContact CG-CB 4.21Å; R1130-G1135 WeakPolarHBondContact O-CA 3.34Å; R1130-D1151 WeakPolarHBondContact CB-OD2 3.35Å; R1130-D1151 WeakPolarHBondContact CG-OD2 3.25Å; R1130-D1151 IonicContact CZ-OD1 3.38Å; R1130-D1151 IonicContact CZ-OD2 3.4Å; R1130-D1151 PolarHBondContact N-OD2 3.03Å; R1130-D1151 IonicContact NE-OD1 2.82Å; R1130-D1151 IonicContact NE-OD2 3.28Å; R1130-D1151 PolarHBondContact NE-OD2 2.96Å; R1130-D1151 IonicContact NH2-OD1 3.58Å; R1130-D1151 PolarHBondContact NH2-OD1 3.02Å; R1130-D1151 IonicContact NH2-OD2 2.71Å; R1130-D1151 PolarHBondContact NH2-OD2 3Å
1131	V	93.4	Very high	91.9	Very high	33 Å²	33	15.2 Å²	15.2	20%	0.2	9%	0.092	C	C	.	.			trans	-111.8	164.9	177.1	-68.2	0	0	0	0	111.8	F1097 F1101 Y1129 F1134 G1135	F1097-V1131 HydrophobicContact CE2-CG1 4.21Å; F1097-V1131 HydrophobicContact CZ-CG1 4.35Å; F1101-V1131 WeakPolarHBondContact O-CB 3.46Å; Y1129-V1131 HydrophobicContact CD2-CG1 4.22Å; Y1129-V1131 HydrophobicContact CE2-CG1 3.76Å; V1131-F1134 PolarHBondContact O-N 2.62Å; V1131-G1135 PolarHBondContact O-N 2.85Å
1132	G	92.9	Very high	92.3	Very high	4 Å²	4	16 Å²	16	4%	0.041	9%	0.093	C	C	.	.	H	α-helix	trans	57.4	-142.6	177.4	0	0	0	0	0	112.5	F1101 F1134 G1135 F1136	F1101-G1132 PolarHBondContact O-N 3.45Å; G1132-F1134 PolarHBondContact O-N 2.73Å; G1132-F1134 VanDerWaalsContact O-N 3.12Å; G1132-G1135 PolarHBondContact O-N 2.84Å; G1132-F1136 PolarHBondContact O-N 2.58Å
1133	P	93.7	Very high	92.4	Very high	4 Å²	4	15.8 Å²	15.8	3%	0.026	9%	0.093	C	C	.	.	H	α-helix	trans	-66.5	-12.3	-178.8	28.7	-36.7	0	0	0	114.1	L1137 L1227 I1252 F1268	P1133-L1137 HydrophobicContact CB-CB 4.19Å; P1133-L1137 HydrophobicContact CB-CD1 4.26Å; P1133-L1137 WeakPolarHBondContact O-CB 3.49Å; P1133-L1137 PolarHBondContact O-N 3.02Å; P1133-L1227 HydrophobicContact CB-CD2 3.58Å; P1133-L1227 HydrophobicContact CG-CD2 3.95Å; P1133-I1252 HydrophobicContact CB-CG2 4.22Å; P1133-I1252 HydrophobicContact CG-CG2 3.56Å; P1133-F1268 HydrophobicContact CB-CD1 4.21Å; P1133-F1268 HydrophobicContact CB-CD2 4.2Å; P1133-F1268 HydrophobicContact CB-CE1 4.26Å; P1133-F1268 HydrophobicContact CB-CE2 4.26Å; P1133-F1268 HydrophobicContact CB-CG 4.19Å; P1133-F1268 HydrophobicContact CB-CZ 4.3Å
1134	F	94	Very high	92.3	Very high	25 Å²	25	16.9 Å²	16.9	11%	0.11	10%	0.1	C	C	.	.	H	α-helix	trans	-79.2	-31.1	170.9	-55.9	-72.2	0	0	0	112.4	F1018 E1074 R1130 V1131 G1132 V1147 P1249 I1252 V1253	F1018-F1134 HydrophobicContact CE1-CD1 4.05Å; F1018-F1134 HydrophobicContact CE1-CE1 4.48Å; E1074-F1134 WeakPolarHBondContact OE1-CE1 3.13Å; R1130-F1134 HydrophobicContact CB-CB 4.13Å; R1130-F1134 WeakPolarHBondContact CD-O 3.42Å; R1130-F1134 HydrophobicContact CG-CB 4.21Å; V1131-F1134 PolarHBondContact O-N 2.62Å; G1132-F1134 PolarHBondContact O-N 2.73Å; G1132-F1134 VanDerWaalsContact O-N 3.12Å; F1134-V1147 VanDerWaalsContact O-CG2 3.24Å; F1134-V1147 WeakPolarHBondContact O-CG2 3.25Å; F1134-P1249 HydrophobicContact CZ-CB 4.12Å; F1134-I1252 HydrophobicContact CE1-CD1 3.95Å; F1134-I1252 HydrophobicContact CE1-CG2 4.34Å; F1134-I1252 HydrophobicContact CE2-CG2 4.5Å; F1134-I1252 HydrophobicContact CZ-CB 4.17Å; F1134-I1252 HydrophobicContact CZ-CD1 4.16Å; F1134-I1252 HydrophobicContact CZ-CG2 4Å; F1134-V1253 HydrophobicContact CE2-CG2 3.6Å; F1134-V1253 HydrophobicContact CZ-CG2 4.32Å
1135	G	93.6	Very high	92	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-92.5	-29.8	178.9	0	0	0	0	0	114.3	R1130 V1131 G1132 V1147 G1148	R1130-G1135 WeakPolarHBondContact O-CA 3.34Å; V1131-G1135 PolarHBondContact O-N 2.85Å; G1132-G1135 PolarHBondContact O-N 2.84Å; G1135-V1147 VanDerWaalsContact O-CG2 3.24Å; G1135-V1147 WeakPolarHBondContact O-CG2 3.28Å; G1135-V1147 PolarHBondContact O-N 2.89Å; G1135-G1148 PolarHBondContact O-N 3.21Å
1136	F	94	Very high	91.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-139.8	10.3	-161.2	-58.3	-78.6	0	0	0	114.9	F1101 G1132 L1149 L1220 F1268 P1270	F1101-F1136 HydrophobicContact CB-CD2 4.19Å; F1101-F1136 HydrophobicContact CB-CE2 3.87Å; F1101-F1136 HydrophobicContact CB-CZ 4.42Å; F1101-F1136 HydrophobicContact CD1-CE1 4.34Å; F1101-F1136 AromaticContact CD1-CE2 3.79Å; F1101-F1136 HydrophobicContact CD1-CE2 3.79Å; F1101-F1136 AromaticContact CD1-CZ 3.54Å; F1101-F1136 HydrophobicContact CD1-CZ 3.54Å; F1101-F1136 HydrophobicContact CE1-CZ 4.12Å; F1101-F1136 HydrophobicContact CG-CE2 4.19Å; F1101-F1136 HydrophobicContact CG-CZ 4.25Å; G1132-F1136 PolarHBondContact O-N 2.58Å; F1136-L1149 HydrophobicContact CE1-CD2 4.47Å; F1136-L1149 HydrophobicContact CE1-CG 4.06Å; F1136-L1220 VanDerWaalsContact O-CD1 3.23Å; F1136-L1220 WeakPolarHBondContact O-CD1 3.41Å; F1136-L1220 WeakPolarHBondContact O-CD2 3.33Å; F1136-F1268 VanDerWaalsContact CB-C 3.47Å; F1136-F1268 HydrophobicContact CB-CB 4.06Å; F1136-F1268 WeakPolarHBondContact CB-O 3.34Å; F1136-P1270 HydrophobicContact CD1-CG 4.25Å; F1136-P1270 HydrophobicContact CE1-CB 4.46Å; F1136-P1270 HydrophobicContact CE1-CG 3.72Å; F1136-P1270 HydrophobicContact CZ-CG 4.4Å
1137	L	93.1	Very high	91.7	Very high	4 Å²	4	17 Å²	17	2%	0.021	10%	0.101	C	C	.	.			trans	-67.3	148.9	167.8	179.8	144.6	0	0	0	110.6	P1133 L1139 A1143 L1227 I1241 M1244 F1268	P1133-L1137 HydrophobicContact CB-CB 4.19Å; P1133-L1137 HydrophobicContact CB-CD1 4.26Å; P1133-L1137 WeakPolarHBondContact O-CB 3.49Å; P1133-L1137 PolarHBondContact O-N 3.02Å; L1137-L1139 HydrophobicContact CD2-CD1 4.44Å; L1137-L1139 HydrophobicContact CD2-CG 4.19Å; L1137-A1143 HydrophobicContact CD2-CB 3.67Å; L1137-L1227 HydrophobicContact CD1-CD2 4.33Å; L1137-I1241 HydrophobicContact CD2-CD1 3.71Å; L1137-M1244 HydrophobicContact CD1-CE 3.36Å; L1137-M1244 HydrophobicContact CD1-SD 4.12Å; L1137-F1268 HydrophobicContact CB-CD1 4.25Å; L1137-F1268 HydrophobicContact CB-CE1 4.15Å; L1137-F1268 HydrophobicContact CD1-CE1 4.39Å; L1137-F1268 HydrophobicContact CG-CE1 4.34Å
1138	S	92.3	Very high	91.6	Very high	2 Å²	2	17 Å²	17	1%	0.014	10%	0.101	C	C	.	.			trans	-141.6	132.3	166.3	-163.7	0	0	0	0	114.6	A1143 A1145 S1224	S1138-A1143 VanDerWaalsContact CA-O 3.26Å; S1138-A1143 WeakPolarHBondContact CA-O 3.49Å; S1138-A1143 PolarHBondContact OG-O 3.45Å; S1138-A1143 VanDerWaalsContact OG-O 3.12Å; S1138-A1145 PolarHBondContact OG-N 2.92Å; S1138-S1224 PolarHBondContact N-OG 3.22Å; S1138-S1224 WeakPolarHBondContact O-CB 3.47Å; S1138-S1224 PolarHBondContact O-OG 3.2Å; S1138-S1224 VanDerWaalsContact O-OG 3.11Å
1139	L	91.4	Very high	91.7	Very high	2 Å²	2	16 Å²	16	1%	0.01	10%	0.095	C	C	.	.			trans	-136.2	41.2	172	-70.5	178.6	0	0	0	110.6	L1137 A1143 R1225 N1237 M1240 I1241	L1137-L1139 HydrophobicContact CD2-CD1 4.44Å; L1137-L1139 HydrophobicContact CD2-CG 4.19Å; L1139-A1143 PolarHBondContact N-O 2.85Å; L1139-R1225 HydrophobicContact CD2-CG 3.54Å; L1139-N1237 VanDerWaalsContact C-ND2 3.25Å; L1139-N1237 HydrophobicContact CB-CB 4.05Å; L1139-N1237 WeakPolarHBondContact O-CB 3.13Å; L1139-N1237 PolarHBondContact O-ND2 3.22Å; L1139-M1240 HydrophobicContact CD1-CB 3.9Å; L1139-M1240 HydrophobicContact CD1-SD 4.32Å; L1139-I1241 HydrophobicContact CB-CD1 4.29Å; L1139-I1241 HydrophobicContact CB-CG1 4.07Å; L1139-I1241 HydrophobicContact CD1-CD1 3.79Å; L1139-I1241 HydrophobicContact CD1-CG1 3.91Å; L1139-I1241 HydrophobicContact CG-CD1 4.42Å
1140	G	84.1	Confident	91.7	Very high	20 Å²	20	17 Å²	17	21%	0.206	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	72	-155.9	-176	0	0	0	0	0	112.5	S1142 A1143	G1140-S1142 PolarHBondContact O-N 2.99Å; G1140-A1143 CarbonylContact O-C 3.52Å; G1140-A1143 PolarHBondContact O-N 3.15Å
1141	N	82.4	Confident	91.8	Very high	166 Å²	166	16.7 Å²	16.7	89%	0.888	10%	0.099	S	C	*	.	G	3₁₀ helix	trans	-59.4	-18.6	-168.3	-60	14.3	0	0	0	115.4	A1143	N1141-A1143 VanDerWaalsContact C-N 3.33Å
1142	S	83	Confident	91.9	Very high	37 Å²	37	15.1 Å²	15.1	26%	0.259	9%	0.09	S	C	.	.	G	3₁₀ helix	trans	-75.8	-20	174.2	-54.9	0	0	0	0	113.9	G1140	G1140-S1142 PolarHBondContact O-N 2.99Å
1143	A	90.3	Very high	92.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-155.7	87.4	172.8	0	0	0	0	0	108.1	F1018 L1137 S1138 L1139 G1140 N1141 I1241	F1018-A1143 HydrophobicContact CB-CB 3.81Å; L1137-A1143 HydrophobicContact CD2-CB 3.67Å; S1138-A1143 VanDerWaalsContact CA-O 3.26Å; S1138-A1143 WeakPolarHBondContact CA-O 3.49Å; S1138-A1143 PolarHBondContact OG-O 3.45Å; S1138-A1143 VanDerWaalsContact OG-O 3.12Å; L1139-A1143 PolarHBondContact N-O 2.85Å; G1140-A1143 CarbonylContact O-C 3.52Å; G1140-A1143 PolarHBondContact O-N 3.15Å; N1141-A1143 VanDerWaalsContact C-N 3.33Å; A1143-I1241 HydrophobicContact CB-CD1 3.46Å; A1143-I1241 VanDerWaalsContact CB-CD1 3.46Å; A1143-I1241 HydrophobicContact CB-CG1 3.94Å
1144	P	90.1	Very high	92.2	Very high	23 Å²	23	16 Å²	16	15%	0.149	9%	0.092	C	C	.	.			trans	-67.7	156.5	179.6	29	-34.6	0	0	0	111.1	P1020 V1147 L1277	P1020-P1144 HydrophobicContact CG-CG 4.16Å; P1144-V1147 HydrophobicContact CG-CG1 3.97Å; P1144-L1277 HydrophobicContact CB-CD2 3.54Å; P1144-L1277 HydrophobicContact CG-CD2 3.7Å
1145	A	89.5	Confident	92.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	170	176.3	0	0	0	0	0	111.6	S1138 V1147 L1220 V1271 D1274	S1138-A1145 PolarHBondContact OG-N 2.92Å; A1145-V1147 PolarHBondContact O-N 3.48Å; A1145-V1147 VanDerWaalsContact O-N 3.12Å; A1145-L1220 HydrophobicContact CB-CD2 4.2Å; A1145-V1271 HydrophobicContact CB-CB 4.2Å; A1145-V1271 HydrophobicContact CB-CG2 4.38Å; A1145-D1274 HydrophobicContact CB-CB 4.46Å
1146	N	93.2	Very high	92.6	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	20	168.4	-57.2	-49.5	0	0	0	116.1	G1148 L1149 L1150 P1270 V1271 F1278	N1146-G1148 PolarHBondContact O-N 2.76Å; N1146-L1149 HydrophobicContact CB-CB 4.46Å; N1146-L1149 HydrophobicContact CB-CD1 4.26Å; N1146-L1149 WeakPolarHBondContact O-CB 3.22Å; N1146-L1149 PolarHBondContact O-N 3.25Å; N1146-L1150 PolarHBondContact O-N 3.35Å; N1146-P1270 WeakPolarHBondContact OD1-CA 3.12Å; N1146-V1271 PolarHBondContact ND2-O 3.08Å; N1146-V1271 PolarHBondContact OD1-N 3Å; N1146-F1278 HydrophobicContact CB-CB 3.9Å
1147	V	94	Very high	92.8	Very high	3 Å²	3	18 Å²	18	2%	0.018	10%	0.102	C	C	.	.	H	α-helix	trans	-61.8	-28.1	180	-63.4	0	0	0	0	113.3	P1020 F1134 G1135 P1144 A1145 L1149 L1150 D1151	P1020-V1147 HydrophobicContact CG-CG1 4.21Å; F1134-V1147 VanDerWaalsContact O-CG2 3.24Å; F1134-V1147 WeakPolarHBondContact O-CG2 3.25Å; G1135-V1147 VanDerWaalsContact O-CG2 3.24Å; G1135-V1147 WeakPolarHBondContact O-CG2 3.28Å; G1135-V1147 PolarHBondContact O-N 2.89Å; P1144-V1147 HydrophobicContact CG-CG1 3.97Å; A1145-V1147 PolarHBondContact O-N 3.48Å; A1145-V1147 VanDerWaalsContact O-N 3.12Å; V1147-L1149 PolarHBondContact O-N 3.14Å; V1147-L1150 HydrophobicContact CG1-CD1 4.4Å; V1147-L1150 PolarHBondContact O-N 3.2Å; V1147-D1151 PolarHBondContact O-N 3.05Å
1148	G	94.9	Very high	92.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.8	-31.2	170.4	0	0	0	0	0	114	G1135 N1146 Q1152	G1135-G1148 PolarHBondContact O-N 3.21Å; N1146-G1148 PolarHBondContact O-N 2.76Å; G1148-Q1152 WeakPolarHBondContact O-CG 3.38Å; G1148-Q1152 PolarHBondContact O-N 3.33Å
1149	L	95.6	Very high	93.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-77.7	-31.3	171.7	-60	-179.4	0	0	0	111.7	F1136 N1146 V1147 Q1152 R1153 S1184 A1187 P1270 F1278 F1279	F1136-L1149 HydrophobicContact CE1-CD2 4.47Å; F1136-L1149 HydrophobicContact CE1-CG 4.06Å; N1146-L1149 HydrophobicContact CB-CB 4.46Å; N1146-L1149 HydrophobicContact CB-CD1 4.26Å; N1146-L1149 WeakPolarHBondContact O-CB 3.22Å; N1146-L1149 PolarHBondContact O-N 3.25Å; V1147-L1149 PolarHBondContact O-N 3.14Å; L1149-Q1152 PolarHBondContact O-N 3.14Å; L1149-R1153 PolarHBondContact O-N 3.23Å; L1149-S1184 WeakPolarHBondContact CD2-OG 3.25Å; L1149-A1187 HydrophobicContact CD1-CB 3.91Å; L1149-A1187 HydrophobicContact CD2-CB 4.34Å; L1149-P1270 HydrophobicContact CD1-CB 4.1Å; L1149-P1270 HydrophobicContact CD1-CG 4.19Å; L1149-F1278 HydrophobicContact CB-CD1 4.27Å; L1149-F1278 HydrophobicContact CB-CD2 3.53Å; L1149-F1278 HydrophobicContact CB-CE1 4.25Å; L1149-F1278 HydrophobicContact CB-CE2 3.5Å; L1149-F1278 VanDerWaalsContact CB-CE2 3.5Å; L1149-F1278 HydrophobicContact CB-CG 3.94Å; L1149-F1278 HydrophobicContact CB-CZ 3.88Å; L1149-F1278 HydrophobicContact CD1-CD1 3.89Å; L1149-F1278 HydrophobicContact CD1-CE1 3.93Å; L1149-F1278 HydrophobicContact CD1-CG 4.27Å; L1149-F1278 HydrophobicContact CD1-CZ 4.31Å; L1149-F1278 VanDerWaalsContact O-CE2 3.31Å; L1149-F1278 WeakPolarHBondContact O-CE2 3.18Å; L1149-F1279 HydrophobicContact CD1-CE2 4.27Å; L1149-F1279 HydrophobicContact CD1-CZ 4.13Å
1150	L	95.1	Very high	93.4	Very high	25 Å²	25	21.3 Å²	21.3	13%	0.131	12%	0.116	C	C	.	.	H	α-helix	trans	-68.3	-36.4	172.5	-66.4	165.4	0	0	0	111.3	P1020 N1146 V1147 Q1152 R1153 L1154 L1277 F1278	P1020-L1150 HydrophobicContact CB-CD1 4.3Å; P1020-L1150 HydrophobicContact CG-CD1 4.1Å; N1146-L1150 PolarHBondContact O-N 3.35Å; V1147-L1150 HydrophobicContact CG1-CD1 4.4Å; V1147-L1150 PolarHBondContact O-N 3.2Å; L1150-Q1152 VanDerWaalsContact C-N 3.33Å; L1150-Q1152 PolarHBondContact O-N 2.92Å; L1150-R1153 PolarHBondContact O-N 3.35Å; L1150-L1154 WeakPolarHBondContact O-CB 3.43Å; L1150-L1154 PolarHBondContact O-N 2.92Å; L1150-L1277 HydrophobicContact CD1-CD2 3.45Å; L1150-L1277 VanDerWaalsContact CD1-CD2 3.45Å; L1150-L1277 HydrophobicContact CD1-CG 3.67Å; L1150-F1278 HydrophobicContact CD2-CB 4.24Å; L1150-F1278 HydrophobicContact CD2-CD2 3.89Å; L1150-F1278 HydrophobicContact CG-CB 4.4Å; L1150-F1278 HydrophobicContact CG-CD2 4.16Å
1151	D	96.9	Very high	93.8	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-59	-44.4	170.2	-65.8	-20.3	0	0	0	111.2	Y1008 L1077 R1130 V1147 L1154 A1155	Y1008-D1151 WeakPolarHBondContact CE2-O 3.32Å; Y1008-D1151 PolarHBondContact OH-O 3.5Å; Y1008-D1151 VanDerWaalsContact OH-O 3.11Å; L1077-D1151 HydrophobicContact CD2-CB 4.01Å; L1077-D1151 WeakPolarHBondContact CD2-OD2 2.95Å; R1130-D1151 WeakPolarHBondContact CB-OD2 3.35Å; R1130-D1151 WeakPolarHBondContact CG-OD2 3.25Å; R1130-D1151 IonicContact CZ-OD1 3.38Å; R1130-D1151 IonicContact CZ-OD2 3.4Å; R1130-D1151 PolarHBondContact N-OD2 3.03Å; R1130-D1151 IonicContact NE-OD1 2.82Å; R1130-D1151 IonicContact NE-OD2 3.28Å; R1130-D1151 PolarHBondContact NE-OD2 2.96Å; R1130-D1151 IonicContact NH2-OD1 3.58Å; R1130-D1151 PolarHBondContact NH2-OD1 3.02Å; R1130-D1151 IonicContact NH2-OD2 2.71Å; R1130-D1151 PolarHBondContact NH2-OD2 3Å; V1147-D1151 PolarHBondContact O-N 3.05Å; D1151-L1154 PolarHBondContact O-N 3.2Å; D1151-A1155 PolarHBondContact O-N 2.89Å
1152	Q	97	Very high	94.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65	-40.7	176	-66.3	168.4	1.9	0	0	111.9	I1096 I1127 Y1129 G1148 L1149 L1150 L1154 A1155 L1156 S1184 H1188	I1096-Q1152 HydrophobicContact CG2-CG 4.47Å; I1127-Q1152 HydrophobicContact CD1-CB 4.05Å; I1127-Q1152 HydrophobicContact CD1-CG 3.96Å; Y1129-Q1152 HydrophobicContact CD1-CG 4.06Å; Y1129-Q1152 HydrophobicContact CD2-CG 4.34Å; Y1129-Q1152 HydrophobicContact CG-CG 3.82Å; Y1129-Q1152 VanDerWaalsContact CG-NE2 3.32Å; Y1129-Q1152 VanDerWaalsContact CZ-NE2 3.31Å; G1148-Q1152 WeakPolarHBondContact O-CG 3.38Å; G1148-Q1152 PolarHBondContact O-N 3.33Å; L1149-Q1152 PolarHBondContact O-N 3.14Å; L1150-Q1152 VanDerWaalsContact C-N 3.33Å; L1150-Q1152 PolarHBondContact O-N 2.92Å; Q1152-L1154 PolarHBondContact O-N 3.06Å; Q1152-A1155 WeakPolarHBondContact O-CB 3.37Å; Q1152-A1155 PolarHBondContact O-N 2.91Å; Q1152-L1156 WeakPolarHBondContact O-CG 3.42Å; Q1152-L1156 PolarHBondContact O-N 3.3Å; Q1152-S1184 VanDerWaalsContact CD-OG 3.22Å; Q1152-S1184 PolarHBondContact NE2-OG 3.46Å; Q1152-S1184 PolarHBondContact OE1-OG 3.28Å; Q1152-H1188 WeakPolarHBondContact CB-NE2 3.32Å
1153	R	96.3	Very high	95	Very high	16 Å²	16	17 Å²	17	6%	0.06	9%	0.092	C	C	.	.	H	α-helix	trans	-61.6	-42.9	173.4	-173.4	-178.8	-64.5	-175.3	-4.1	111.8	L1149 L1150 A1155 L1156 Q1157 D1193 S1194 L1197 F1278	L1149-R1153 PolarHBondContact O-N 3.23Å; L1150-R1153 PolarHBondContact O-N 3.35Å; R1153-A1155 VanDerWaalsContact C-N 3.32Å; R1153-A1155 PolarHBondContact O-N 3.44Å; R1153-L1156 PolarHBondContact O-N 3Å; R1153-Q1157 WeakPolarHBondContact O-CG 3.42Å; R1153-Q1157 PolarHBondContact O-N 3.16Å; R1153-D1193 IonicContact CZ-OD2 3.19Å; R1153-D1193 IonicContact NH1-OD2 3.68Å; R1153-D1193 PolarHBondContact NH1-OD2 2.86Å; R1153-D1193 IonicContact NH2-OD2 3.69Å; R1153-S1194 PolarHBondContact NE-OG 3.38Å; R1153-S1194 PolarHBondContact NH2-OG 3.29Å; R1153-L1197 HydrophobicContact CG-CD1 4.04Å; R1153-F1278 HydrophobicContact CB-CE2 4.31Å; R1153-F1278 VanDerWaalsContact NH2-CD2 3.29Å; R1153-F1278 VanDerWaalsContact NH2-CE2 3.28Å; R1153-F1278 PolarHBondContact NH2-O 3.36Å
1154	L	96.4	Very high	95.2	Very high	12 Å²	12	23.8 Å²	23.8	6%	0.063	12%	0.121	C	C	.	.	H	α-helix	trans	-62.9	-39.7	177.5	-172.6	71.6	0	0	0	111.1	Y1008 A1021 F1023 L1150 D1151 Q1152 Q1157 W1158	Y1008-L1154 HydrophobicContact CD2-CB 4.27Å; Y1008-L1154 HydrophobicContact CD2-CD2 4.07Å; Y1008-L1154 HydrophobicContact CD2-CG 4.02Å; Y1008-L1154 HydrophobicContact CE2-CB 4.08Å; Y1008-L1154 HydrophobicContact CE2-CD2 4.09Å; Y1008-L1154 HydrophobicContact CE2-CG 4.22Å; A1021-L1154 HydrophobicContact CB-CD2 3.87Å; F1023-L1154 HydrophobicContact CD1-CD1 3.66Å; F1023-L1154 HydrophobicContact CD1-CG 4.19Å; F1023-L1154 HydrophobicContact CD2-CD1 4.02Å; F1023-L1154 HydrophobicContact CE1-CD1 3.54Å; F1023-L1154 HydrophobicContact CE1-CG 4.15Å; F1023-L1154 HydrophobicContact CE2-CD1 3.91Å; F1023-L1154 HydrophobicContact CG-CD1 3.9Å; F1023-L1154 HydrophobicContact CZ-CD1 3.68Å; L1150-L1154 WeakPolarHBondContact O-CB 3.43Å; L1150-L1154 PolarHBondContact O-N 2.92Å; D1151-L1154 PolarHBondContact O-N 3.2Å; Q1152-L1154 PolarHBondContact O-N 3.06Å; L1154-Q1157 PolarHBondContact O-N 2.03Å; L1154-W1158 WeakPolarHBondContact O-CB 3.36Å; L1154-W1158 PolarHBondContact O-N 2.88Å
1155	A	97.4	Very high	95.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.3	-44.3	172.5	0	0	0	0	0	111.8	Y1008 I1127 D1151 Q1152 R1153 Q1157 W1158 I1159	Y1008-A1155 HydrophobicContact CD1-CB 4.09Å; Y1008-A1155 HydrophobicContact CD2-CB 3.89Å; Y1008-A1155 HydrophobicContact CE1-CB 3.92Å; Y1008-A1155 HydrophobicContact CE2-CB 3.74Å; Y1008-A1155 HydrophobicContact CG-CB 4.08Å; I1127-A1155 HydrophobicContact CB-CB 4.15Å; I1127-A1155 HydrophobicContact CD1-CB 4.01Å; I1127-A1155 HydrophobicContact CG2-CB 3.86Å; D1151-A1155 PolarHBondContact O-N 2.89Å; Q1152-A1155 WeakPolarHBondContact O-CB 3.37Å; Q1152-A1155 PolarHBondContact O-N 2.91Å; R1153-A1155 VanDerWaalsContact C-N 3.32Å; R1153-A1155 PolarHBondContact O-N 3.44Å; A1155-Q1157 PolarHBondContact O-N 3.15Å; A1155-W1158 WeakPolarHBondContact O-CB 3.4Å; A1155-W1158 PolarHBondContact O-N 2.72Å; A1155-I1159 WeakPolarHBondContact O-CB 3.31Å; A1155-I1159 WeakPolarHBondContact O-CD1 3.36Å; A1155-I1159 WeakPolarHBondContact O-CG1 3.47Å; A1155-I1159 PolarHBondContact O-N 3.24Å
1156	L	98	Very high	95.4	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-64.9	-37.1	176.5	-69.7	172.9	0	0	0	112.9	V1094 Q1152 R1153 I1159 Q1160 I1175 L1197	V1094-L1156 HydrophobicContact CB-CD2 4.43Å; V1094-L1156 HydrophobicContact CG1-CD2 4Å; V1094-L1156 HydrophobicContact CG2-CD2 4.41Å; Q1152-L1156 WeakPolarHBondContact O-CG 3.42Å; Q1152-L1156 PolarHBondContact O-N 3.3Å; R1153-L1156 PolarHBondContact O-N 3Å; L1156-I1159 HydrophobicContact CD2-CD1 4.42Å; L1156-I1159 PolarHBondContact O-N 3.28Å; L1156-Q1160 PolarHBondContact O-N 2.97Å; L1156-I1175 HydrophobicContact CD1-CG2 4.31Å; L1156-I1175 HydrophobicContact CD2-CG2 3.59Å; L1156-L1197 HydrophobicContact CB-CB 3.97Å; L1156-L1197 HydrophobicContact CB-CD1 3.74Å; L1156-L1197 HydrophobicContact CB-CG 4.46Å
1157	Q	97.3	Very high	95	Very high	66 Å²	66	31.5 Å²	31.5	31%	0.308	16%	0.161	S	C	.	.	H	α-helix	trans	-68.4	-37	172.7	-69.3	170.9	-22.4	0	0	112	F1023 R1153 L1154 A1155 S1161 L1197	F1023-Q1157 HydrophobicContact CE1-CB 4.31Å; F1023-Q1157 HydrophobicContact CZ-CB 3.84Å; R1153-Q1157 WeakPolarHBondContact O-CG 3.42Å; R1153-Q1157 PolarHBondContact O-N 3.16Å; L1154-Q1157 PolarHBondContact O-N 2.03Å; A1155-Q1157 PolarHBondContact O-N 3.15Å; Q1157-S1161 WeakPolarHBondContact O-CB 3.39Å; Q1157-S1161 PolarHBondContact O-N 2.89Å; Q1157-S1161 VanDerWaalsContact O-N 3.08Å; Q1157-S1161 PolarHBondContact O-OG 2.98Å; Q1157-L1197 HydrophobicContact CG-CD1 3.78Å; Q1157-L1197 HydrophobicContact CG-CD2 3.97Å
1158	W	96.7	Very high	94.9	Very high	29 Å²	29	31.3 Å²	31.3	11%	0.11	16%	0.16	C	C	.	.	H	α-helix	trans	-63.8	-43.8	172.2	-173.4	103	0	0	0	110.9	I1006 F1023 L1079 I1081 L1154 A1155 S1161 N1162 F1166	I1006-W1158 HydrophobicContact CD1-CH2 4.5Å; I1006-W1158 HydrophobicContact CG2-CH2 3.95Å; I1006-W1158 HydrophobicContact CG2-CZ2 3.61Å; F1023-W1158 HydrophobicContact CE1-CB 4.11Å; L1079-W1158 HydrophobicContact CD1-CE3 4.32Å; L1079-W1158 HydrophobicContact CD1-CH2 4.22Å; L1079-W1158 HydrophobicContact CD1-CZ3 3.87Å; L1079-W1158 HydrophobicContact CD2-CD2 4.27Å; L1079-W1158 HydrophobicContact CD2-CE3 3.75Å; L1079-W1158 HydrophobicContact CD2-CZ3 4.15Å; I1081-W1158 HydrophobicContact CD1-CH2 4Å; I1081-W1158 HydrophobicContact CD1-CZ3 3.87Å; L1154-W1158 WeakPolarHBondContact O-CB 3.36Å; L1154-W1158 PolarHBondContact O-N 2.88Å; A1155-W1158 WeakPolarHBondContact O-CB 3.4Å; A1155-W1158 PolarHBondContact O-N 2.72Å; W1158-S1161 PolarHBondContact O-N 2.81Å; W1158-N1162 HydrophobicContact CD2-CB 4.18Å; W1158-N1162 HydrophobicContact CE3-CB 4.05Å; W1158-N1162 HydrophobicContact CH2-CB 3.89Å; W1158-N1162 HydrophobicContact CZ2-CB 4.02Å; W1158-N1162 HydrophobicContact CZ3-CB 3.9Å; W1158-N1162 WeakPolarHBondContact O-CB 3.46Å; W1158-N1162 PolarHBondContact O-N 2.96Å; W1158-N1162 PolarHBondContact O-ND2 3.33Å; W1158-F1166 AromaticContact CH2-CE2 3.64Å; W1158-F1166 HydrophobicContact CH2-CE2 3.64Å; W1158-F1166 HydrophobicContact CH2-CZ 4.05Å; W1158-F1166 HydrophobicContact CZ3-CE2 4.32Å
1159	I	97.4	Very high	94.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-60	-52.1	176.8	-71.3	162.2	0	0	0	109.8	L1079 V1092 V1094 V1125 I1127 A1155 L1156 S1161 N1162 I1163 V1173	L1079-I1159 HydrophobicContact CD2-CG1 4.31Å; V1092-I1159 HydrophobicContact CG1-CG2 4.31Å; V1094-I1159 HydrophobicContact CB-CD1 4.47Å; V1094-I1159 HydrophobicContact CG1-CD1 3.7Å; V1094-I1159 HydrophobicContact CG2-CD1 3.87Å; V1094-I1159 HydrophobicContact CG2-CG2 4.42Å; V1125-I1159 HydrophobicContact CB-CD1 4.35Å; V1125-I1159 HydrophobicContact CG1-CD1 3.8Å; V1125-I1159 HydrophobicContact CG1-CG1 4.24Å; I1127-I1159 HydrophobicContact CG2-CD1 4.16Å; A1155-I1159 WeakPolarHBondContact O-CB 3.31Å; A1155-I1159 WeakPolarHBondContact O-CD1 3.36Å; A1155-I1159 WeakPolarHBondContact O-CG1 3.47Å; A1155-I1159 PolarHBondContact O-N 3.24Å; L1156-I1159 HydrophobicContact CD2-CD1 4.42Å; L1156-I1159 PolarHBondContact O-N 3.28Å; I1159-S1161 PolarHBondContact O-N 2.9Å; I1159-N1162 PolarHBondContact O-N 3.45Å; I1159-I1163 HydrophobicContact CG2-CB 3.99Å; I1159-I1163 HydrophobicContact CG2-CG1 4.26Å; I1159-I1163 HydrophobicContact CG2-CG2 4.2Å; I1159-I1163 WeakPolarHBondContact O-CB 3.45Å; I1159-I1163 VanDerWaalsContact O-CG2 3.25Å; I1159-I1163 WeakPolarHBondContact O-CG2 3.46Å; I1159-I1163 PolarHBondContact O-N 3.28Å; I1159-V1173 HydrophobicContact CG2-CG2 4.46Å
1160	Q	95.2	Very high	94.8	Very high	46 Å²	46	33 Å²	33	22%	0.215	17%	0.17	C	C	.	.	H	α-helix	trans	-53.6	-39.2	175.8	-88.1	-66.1	15.9	0	0	112.7	L1156 P1170 P1196 L1197	L1156-Q1160 PolarHBondContact O-N 2.97Å; Q1160-P1170 PolarHBondContact NE2-O 3.45Å; Q1160-P1170 PolarHBondContact OE1-O 3.3Å; Q1160-P1196 PolarHBondContact NE2-O 2.97Å; Q1160-L1197 HydrophobicContact CB-CD2 4.5Å; Q1160-L1197 HydrophobicContact CG-CB 4.34Å; Q1160-L1197 HydrophobicContact CG-CD2 3.87Å
1161	S	94.1	Very high	94.8	Very high	88 Å²	88	37 Å²	37	62%	0.615	19%	0.192	S	C	*	.	H	α-helix	trans	-79	-25.2	-176.3	-52.8	0	0	0	0	114.2	Q1157 W1158 I1159	Q1157-S1161 WeakPolarHBondContact O-CB 3.39Å; Q1157-S1161 PolarHBondContact O-N 2.89Å; Q1157-S1161 VanDerWaalsContact O-N 3.08Å; Q1157-S1161 PolarHBondContact O-OG 2.98Å; W1158-S1161 PolarHBondContact O-N 2.81Å; I1159-S1161 PolarHBondContact O-N 2.9Å
1162	N	95	Very high	94.7	Very high	46 Å²	46	37.5 Å²	37.5	25%	0.246	20%	0.195	C	C	.	.	H	α-helix	trans	-125.7	-22.3	-167.5	-65.2	-87.9	0	0	0	115.2	W1158 I1159 K1164 I1165	W1158-N1162 HydrophobicContact CD2-CB 4.18Å; W1158-N1162 HydrophobicContact CE3-CB 4.05Å; W1158-N1162 HydrophobicContact CH2-CB 3.89Å; W1158-N1162 HydrophobicContact CZ2-CB 4.02Å; W1158-N1162 HydrophobicContact CZ3-CB 3.9Å; W1158-N1162 WeakPolarHBondContact O-CB 3.46Å; W1158-N1162 PolarHBondContact O-N 2.96Å; W1158-N1162 PolarHBondContact O-ND2 3.33Å; I1159-N1162 PolarHBondContact O-N 3.45Å; N1162-K1164 PolarHBondContact O-N 3Å; N1162-K1164 VanDerWaalsContact O-N 3.08Å; N1162-I1165 VanDerWaalsContact O-CB 3.31Å; N1162-I1165 WeakPolarHBondContact O-CB 3.08Å; N1162-I1165 WeakPolarHBondContact O-CG1 3.36Å; N1162-I1165 PolarHBondContact O-N 3.38Å
1163	I	95.4	Very high	94.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-64.1	-24.2	-166.4	-156.5	65.6	0	0	0	113.9	I1081 V1092 V1123 V1125 I1159 I1165 F1166 G1167 G1168 P1170	I1081-I1163 HydrophobicContact CD1-CD1 4.19Å; V1092-I1163 HydrophobicContact CG1-CD1 4.4Å; V1092-I1163 HydrophobicContact CG1-CG1 3.94Å; V1092-I1163 HydrophobicContact CG2-CG1 3.77Å; V1092-I1163 HydrophobicContact CG2-CG2 4.09Å; V1123-I1163 HydrophobicContact CG1-CD1 3.79Å; V1123-I1163 HydrophobicContact CG1-CG1 4.23Å; V1125-I1163 HydrophobicContact CG2-CD1 3.69Å; I1159-I1163 HydrophobicContact CG2-CB 3.99Å; I1159-I1163 HydrophobicContact CG2-CG1 4.26Å; I1159-I1163 HydrophobicContact CG2-CG2 4.2Å; I1159-I1163 WeakPolarHBondContact O-CB 3.45Å; I1159-I1163 VanDerWaalsContact O-CG2 3.25Å; I1159-I1163 WeakPolarHBondContact O-CG2 3.46Å; I1159-I1163 PolarHBondContact O-N 3.28Å; I1163-I1165 PolarHBondContact O-N 2.89Å; I1163-F1166 HydrophobicContact CD1-CB 4.33Å; I1163-F1166 CarbonylContact O-C 3.59Å; I1163-F1166 WeakPolarHBondContact O-CA 3Å; I1163-F1166 WeakPolarHBondContact O-CB 3.41Å; I1163-F1166 PolarHBondContact O-N 3.37Å; I1163-G1167 PolarHBondContact O-N 2.94Å; I1163-G1168 PolarHBondContact O-N 3.27Å; I1163-P1170 HydrophobicContact CG2-CB 4.47Å
1164	K	93.3	Very high	94.8	Very high	141 Å²	141	36.8 Å²	36.8	61%	0.613	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-60.9	-29	173.1	-165.7	168.2	-175.5	171.1	0	113.3	N1162 F1166 G1167 G1168	N1162-K1164 PolarHBondContact O-N 3Å; N1162-K1164 VanDerWaalsContact O-N 3.08Å; K1164-F1166 VanDerWaalsContact C-N 3.28Å; K1164-F1166 PolarHBondContact O-N 2.98Å; K1164-G1167 PolarHBondContact O-N 2.9Å; K1164-G1168 VanDerWaalsContact CA-O 3.3Å; K1164-G1168 WeakPolarHBondContact CA-O 3.49Å
1165	I	92	Very high	94.8	Very high	139 Å²	139	36.2 Å²	36.2	71%	0.713	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-69.4	-30.1	174.6	-54.2	172.9	0	0	0	110.7	N1162 I1163 G1167	N1162-I1165 VanDerWaalsContact O-CB 3.31Å; N1162-I1165 WeakPolarHBondContact O-CB 3.08Å; N1162-I1165 WeakPolarHBondContact O-CG1 3.36Å; N1162-I1165 PolarHBondContact O-N 3.38Å; I1163-I1165 PolarHBondContact O-N 2.89Å; I1165-G1167 VanDerWaalsContact C-N 3.29Å
1166	F	91.7	Very high	94.8	Very high	36 Å²	36	36.2 Å²	36.2	16%	0.158	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-88.9	9.5	174.5	-59.3	-92.5	0	0	0	112.8	F1003 I1006 I1081 T1083 W1158 I1163 K1164	F1003-F1166 HydrophobicContact CD1-CE1 4.16Å; F1003-F1166 AromaticContact CD2-CD1 3.82Å; F1003-F1166 HydrophobicContact CD2-CD1 3.82Å; F1003-F1166 AromaticContact CD2-CE1 3.84Å; F1003-F1166 HydrophobicContact CD2-CE1 3.84Å; F1003-F1166 HydrophobicContact CE1-CE1 4.19Å; F1003-F1166 AromaticContact CE2-CD1 3.63Å; F1003-F1166 HydrophobicContact CE2-CD1 3.63Å; F1003-F1166 AromaticContact CE2-CE1 3.86Å; F1003-F1166 HydrophobicContact CE2-CE1 3.86Å; F1003-F1166 HydrophobicContact CG-CD1 4.44Å; F1003-F1166 AromaticContact CG-CE1 3.99Å; F1003-F1166 HydrophobicContact CG-CE1 3.99Å; F1003-F1166 HydrophobicContact CZ-CD1 4.1Å; F1003-F1166 HydrophobicContact CZ-CE1 4.04Å; I1006-F1166 HydrophobicContact CD1-CE1 4.12Å; I1006-F1166 HydrophobicContact CD1-CZ 4.04Å; I1081-F1166 HydrophobicContact CD1-CD1 3.92Å; I1081-F1166 HydrophobicContact CD1-CD2 3.94Å; I1081-F1166 HydrophobicContact CD1-CE1 3.89Å; I1081-F1166 HydrophobicContact CD1-CE2 3.93Å; I1081-F1166 HydrophobicContact CD1-CG 3.95Å; I1081-F1166 HydrophobicContact CD1-CZ 3.9Å; I1081-F1166 HydrophobicContact CG2-CB 4.36Å; I1081-F1166 HydrophobicContact CG2-CD1 4.15Å; I1081-F1166 HydrophobicContact CG2-CG 4.36Å; T1083-F1166 WeakPolarHBondContact CB-O 3.39Å; T1083-F1166 HydrophobicContact CG2-CB 4.47Å; T1083-F1166 PolarHBondContact OG1-O 3.41Å; W1158-F1166 AromaticContact CH2-CE2 3.64Å; W1158-F1166 HydrophobicContact CH2-CE2 3.64Å; W1158-F1166 HydrophobicContact CH2-CZ 4.05Å; W1158-F1166 HydrophobicContact CZ3-CE2 4.32Å; I1163-F1166 HydrophobicContact CD1-CB 4.33Å; I1163-F1166 CarbonylContact O-C 3.59Å; I1163-F1166 WeakPolarHBondContact O-CA 3Å; I1163-F1166 WeakPolarHBondContact O-CB 3.41Å; I1163-F1166 PolarHBondContact O-N 3.37Å; K1164-F1166 VanDerWaalsContact C-N 3.28Å; K1164-F1166 PolarHBondContact O-N 2.98Å
1167	G	86.5	Confident	94.7	Very high	11 Å²	11	36.2 Å²	36.2	11%	0.113	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	3.5	178.3	0	0	0	0	0	115.9	A1087 R1088 N1089 A1090 I1163 K1164 I1165	A1087-G1167 CarbonylContact C-O 3.6Å; A1087-G1167 VanDerWaalsContact O-CA 3.23Å; A1087-G1167 WeakPolarHBondContact O-CA 3.47Å; R1088-G1167 CarbonylContact C-O 3.5Å; R1088-G1167 PolarHBondContact N-O 2.79Å; N1089-G1167 PolarHBondContact N-O 3.49Å; A1090-G1167 PolarHBondContact N-O 3.01Å; I1163-G1167 PolarHBondContact O-N 2.94Å; K1164-G1167 PolarHBondContact O-N 2.9Å; I1165-G1167 VanDerWaalsContact C-N 3.29Å
1168	G	91.1	Very high	94.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	155.2	178.9	0	0	0	0	0	113.7	A1090 I1163 K1164 P1170	A1090-G1168 CarbonylContact O-C 3.54Å; A1090-G1168 VanDerWaalsContact O-CA 3.27Å; A1090-G1168 WeakPolarHBondContact O-CA 3.45Å; I1163-G1168 PolarHBondContact O-N 3.27Å; K1164-G1168 VanDerWaalsContact CA-O 3.3Å; K1164-G1168 WeakPolarHBondContact CA-O 3.49Å; G1168-P1170 WeakPolarHBondContact O-CD 3.34Å
1169	D	93.9	Very high	94.5	Very high	16 Å²	16	32.2 Å²	32.2	9%	0.086	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	113	171.6	-176	8.8	0	0	0	111.2	N1089 A1090 N1171 S1172	N1089-D1169 HydrophobicContact CB-CB 4.19Å; A1090-D1169 PolarHBondContact O-N 3.49Å; D1169-N1171 PolarHBondContact O-N 3.02Å; D1169-N1171 VanDerWaalsContact O-N 3.15Å; D1169-N1171 WeakPolarHBondContact OD1-CB 3.25Å; D1169-N1171 PolarHBondContact OD1-N 3.08Å; D1169-N1171 PolarHBondContact OD1-ND2 3.07Å; D1169-S1172 PolarHBondContact O-N 2.73Å
1170	P	95.1	Very high	94.4	Very high	18 Å²	18	32.2 Å²	32.2	12%	0.117	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	-22.9	172.5	19.9	-29.7	0	0	0	113.8	Q1160 I1163 G1168 V1173 H1199	Q1160-P1170 PolarHBondContact NE2-O 3.45Å; Q1160-P1170 PolarHBondContact OE1-O 3.3Å; I1163-P1170 HydrophobicContact CG2-CB 4.47Å; G1168-P1170 WeakPolarHBondContact O-CD 3.34Å; P1170-V1173 WeakPolarHBondContact O-CG2 3.23Å; P1170-H1199 PolarHBondContact O-CE1 3.37Å
1171	N	94.7	Very high	94.5	Very high	111 Å²	111	30 Å²	30	59%	0.594	16%	0.162	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	2.1	178.7	-44.5	-81.7	0	0	0	113.2	D1169 H1199	D1169-N1171 PolarHBondContact O-N 3.02Å; D1169-N1171 VanDerWaalsContact O-N 3.15Å; D1169-N1171 WeakPolarHBondContact OD1-CB 3.25Å; D1169-N1171 PolarHBondContact OD1-N 3.08Å; D1169-N1171 PolarHBondContact OD1-ND2 3.07Å; N1171-H1199 PolarHBondContact O-CD2 3.19Å; N1171-H1199 VanDerWaalsContact O-CG 3.3Å
1172	S	94.3	Very high	94.6	Very high	11 Å²	11	25.8 Å²	25.8	8%	0.077	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	51	178.2	-157.2	0	0	0	0	111.5	V1092 D1169 R1200	V1092-S1172 PolarHBondContact N-O 3.33Å; D1169-S1172 PolarHBondContact O-N 2.73Å; S1172-R1200 PolarHBondContact OG-NH1 3.31Å
1173	V	97.1	Very high	94.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119	175.7	178.8	0	0	0	0	110.6	V1092 V1094 I1159 P1170 L1197 F1198 H1199 R1200	V1092-V1173 HydrophobicContact CB-CG2 4.11Å; V1092-V1173 HydrophobicContact CG2-CG2 4.4Å; V1094-V1173 HydrophobicContact CG2-CG1 3.78Å; I1159-V1173 HydrophobicContact CG2-CG2 4.46Å; P1170-V1173 WeakPolarHBondContact O-CG2 3.23Å; V1173-L1197 WeakPolarHBondContact CG1-O 3.4Å; V1173-F1198 HydrophobicContact CG1-CB 4.37Å; V1173-H1199 PolarHBondContact N-ND1 3Å; V1173-H1199 PolarHBondContact O-N 3.16Å; V1173-R1200 PolarHBondContact O-N 2.97Å
1174	T	97.4	Very high	94.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125.5	170	-55.4	0	0	0	0	109.1	V1092 L1093 V1094 R1200 I1202 F1452 V1453	V1092-T1174 PolarHBondContact O-N 2.79Å; L1093-T1174 HydrophobicContact CD1-CG2 3.82Å; V1094-T1174 PolarHBondContact N-O 3.39Å; T1174-R1200 WeakPolarHBondContact CA-O 3.46Å; T1174-R1200 HydrophobicContact CG2-CB 3.86Å; T1174-I1202 HydrophobicContact CG2-CD1 4.11Å; T1174-I1202 HydrophobicContact CG2-CG1 3.93Å; T1174-F1452 HydrophobicContact CG2-CE1 4.47Å; T1174-V1453 HydrophobicContact CG2-CG2 4.26Å
1175	I	97.8	Very high	94.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	138.7	170.7	57.4	172.1	0	0	0	110.3	V1094 L1156 V1185 H1188 F1198 R1200 A1201 I1202	V1094-I1175 HydrophobicContact CB-CG2 4.28Å; L1156-I1175 HydrophobicContact CD1-CG2 4.31Å; L1156-I1175 HydrophobicContact CD2-CG2 3.59Å; I1175-V1185 HydrophobicContact CB-CG2 4.28Å; I1175-V1185 HydrophobicContact CD1-CB 4.29Å; I1175-V1185 HydrophobicContact CD1-CG1 3.8Å; I1175-V1185 HydrophobicContact CD1-CG2 4.22Å; I1175-V1185 HydrophobicContact CG1-CG1 3.92Å; I1175-V1185 HydrophobicContact CG1-CG2 4.22Å; I1175-H1188 HydrophobicContact CD1-CB 4.01Å; I1175-F1198 HydrophobicContact CB-CB 4.47Å; I1175-F1198 HydrophobicContact CD1-CB 4.28Å; I1175-F1198 HydrophobicContact CD1-CD1 3.8Å; I1175-F1198 HydrophobicContact CD1-CD2 3.51Å; I1175-F1198 HydrophobicContact CD1-CE1 3.91Å; I1175-F1198 HydrophobicContact CD1-CE2 3.61Å; I1175-F1198 HydrophobicContact CD1-CG 3.6Å; I1175-F1198 HydrophobicContact CD1-CZ 3.8Å; I1175-F1198 HydrophobicContact CG1-CB 4.07Å; I1175-F1198 HydrophobicContact CG1-CD1 4.5Å; I1175-F1198 HydrophobicContact CG1-CD2 3.59Å; I1175-F1198 HydrophobicContact CG1-CE2 4.08Å; I1175-F1198 HydrophobicContact CG1-CG 3.82Å; I1175-F1198 HydrophobicContact CG2-CB 3.73Å; I1175-F1198 HydrophobicContact CG2-CG 4.22Å; I1175-R1200 PolarHBondContact N-O 2.99Å; I1175-R1200 VanDerWaalsContact N-O 3.09Å; I1175-A1201 HydrophobicContact CG1-CB 4.32Å; I1175-A1201 CarbonylContact O-C 3.53Å; I1175-A1201 VanDerWaalsContact O-CA 3.3Å; I1175-A1201 WeakPolarHBondContact O-CA 3.39Å; I1175-I1202 PolarHBondContact O-N 2.95Å
1176	M	96.3	Very high	94.9	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	136.9	-173.2	172.2	-165.9	154	0	0	109.3	L1093 V1094 W1095 I1096 I1202 L1204 L1418 V1421 F1422 W1449	L1093-M1176 HydrophobicContact CD1-CB 3.83Å; L1093-M1176 HydrophobicContact CD1-SD 4.1Å; L1093-M1176 HydrophobicContact CD2-SD 3.93Å; L1093-M1176 HydrophobicContact CG-SD 4.16Å; V1094-M1176 PolarHBondContact O-N 3.15Å; W1095-M1176 WeakPolarHBondContact CA-O 3.22Å; W1095-M1176 HydrophobicContact CD2-CE 4.1Å; W1095-M1176 HydrophobicContact CE3-CB 4.35Å; W1095-M1176 HydrophobicContact CE3-CE 3.34Å; W1095-M1176 HydrophobicContact CE3-CG 3.69Å; W1095-M1176 HydrophobicContact CE3-SD 3.89Å; W1095-M1176 HydrophobicContact CH2-CE 3.99Å; W1095-M1176 HydrophobicContact CZ3-CE 3.26Å; W1095-M1176 HydrophobicContact CZ3-CG 3.87Å; W1095-M1176 HydrophobicContact CZ3-SD 4.24Å; I1096-M1176 PolarHBondContact N-O 2.77Å; M1176-I1202 WeakPolarHBondContact CA-O 3.26Å; M1176-I1202 HydrophobicContact CB-CB 3.99Å; M1176-I1202 HydrophobicContact CB-CD1 4.47Å; M1176-I1202 HydrophobicContact CG-CB 3.95Å; M1176-I1202 HydrophobicContact CG-CD1 4.44Å; M1176-I1202 HydrophobicContact CG-CG2 4.13Å; M1176-L1204 HydrophobicContact CE-CD1 4.4Å; M1176-L1418 HydrophobicContact CE-CD2 4.29Å; M1176-V1421 HydrophobicContact CE-CG1 4.02Å; M1176-F1422 HydrophobicContact CE-CE2 3.85Å; M1176-F1422 HydrophobicContact CE-CZ 3.91Å; M1176-W1449 HydrophobicContact CE-CH2 3.88Å; M1176-W1449 HydrophobicContact CE-CZ3 3.44Å; M1176-W1449 VanDerWaalsContact CE-CZ3 3.44Å; M1176-W1449 HydrophobicContact CG-CZ3 4.46Å; M1176-W1449 HydrophobicContact SD-CE3 4.44Å; M1176-W1449 HydrophobicContact SD-CH2 4.45Å; M1176-W1449 HydrophobicContact SD-CZ3 3.62Å
1177	G	96.3	Very high	95	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	158.4	172.5	0	0	0	0	0	113.2	W1095 I1096 A1182 I1202 L1204	W1095-G1177 VanDerWaalsContact CZ3-CA 3.49Å; I1096-G1177 WeakPolarHBondContact O-CA 3.42Å; G1177-A1182 WeakPolarHBondContact O-CB 3.49Å; G1177-I1202 PolarHBondContact N-O 3.49Å; G1177-I1202 VanDerWaalsContact N-O 3.09Å; G1177-L1204 WeakPolarHBondContact O-CG 3.42Å; G1177-L1204 PolarHBondContact O-N 2.98Å
1178	E	95.3	Very high	95.4	Very high	9 Å²	9	8 Å²	8	4%	0.042	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	148.2	173.1	170.2	-89.8	177.2	0	0	110	W1095 G1098 A1180 G1181 A1182 L1204 H1414 L1418	W1095-E1178 HydrophobicContact CH2-CB 3.54Å; W1095-E1178 HydrophobicContact CZ3-CB 4.12Å; G1098-E1178 WeakPolarHBondContact CA-O 3.3Å; G1098-E1178 VanDerWaalsContact CA-OE2 3.32Å; G1098-E1178 WeakPolarHBondContact CA-OE2 3.37Å; G1098-E1178 PolarHBondContact N-O 3.21Å; G1098-E1178 PolarHBondContact N-OE2 2.96Å; E1178-A1180 PolarHBondContact O-N 3.11Å; E1178-A1180 VanDerWaalsContact O-N 3.16Å; E1178-G1181 VanDerWaalsContact O-CA 3.24Å; E1178-G1181 WeakPolarHBondContact O-CA 3.37Å; E1178-G1181 PolarHBondContact O-N 3.24Å; E1178-A1182 PolarHBondContact O-N 2.95Å; E1178-A1182 VanDerWaalsContact O-N 3.17Å; E1178-L1204 CarbonylContact C-O 3.29Å; E1178-L1204 VanDerWaalsContact CA-O 3.3Å; E1178-L1204 WeakPolarHBondContact CA-O 3.43Å; E1178-L1204 HydrophobicContact CB-CB 4.08Å; E1178-L1204 HydrophobicContact CB-CD1 4.37Å; E1178-L1204 HydrophobicContact CG-CB 4.46Å; E1178-H1414 IonicContact OE1-CD2 3.63Å; E1178-H1414 IonicContact OE1-NE2 2.77Å; E1178-L1418 HydrophobicContact CB-CD1 4.03Å; E1178-L1418 HydrophobicContact CB-CD2 4.49Å; E1178-L1418 HydrophobicContact CG-CD1 3.95Å
1179	S	95.5	Very high	95.4	Very high	3 Å²	3	8 Å²	8	2%	0.021	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	-119.7	175.4	-170.5	0	0	0	0	111.4	G1181 A1182 A1183 L1204 W1212 H1414	S1179-G1181 VanDerWaalsContact C-N 3.26Å; S1179-G1181 PolarHBondContact O-N 2.88Å; S1179-A1182 WeakPolarHBondContact O-CA 3.28Å; S1179-A1182 WeakPolarHBondContact O-CB 3.35Å; S1179-A1182 PolarHBondContact O-N 3.35Å; S1179-A1183 PolarHBondContact O-N 2.83Å; S1179-L1204 PolarHBondContact N-O 3.49Å; S1179-W1212 WeakPolarHBondContact O-CH2 3.3Å; S1179-H1414 VanDerWaalsContact CB-NE2 3.33Å; S1179-H1414 WeakPolarHBondContact CB-NE2 3.4Å; S1179-H1414 PolarHBondContact OG-NE2 3.07Å
1180	A	95.1	Very high	95.3	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-57.8	-34.1	173.6	0	0	0	0	0	114	F1101 E1178 A1183 S1184 W1212	F1101-A1180 HydrophobicContact CD1-CB 3.89Å; F1101-A1180 HydrophobicContact CD2-CB 3.76Å; F1101-A1180 HydrophobicContact CE1-CB 3.97Å; F1101-A1180 WeakPolarHBondContact CE1-O 3.48Å; F1101-A1180 HydrophobicContact CE2-CB 3.85Å; F1101-A1180 HydrophobicContact CG-CB 3.78Å; F1101-A1180 HydrophobicContact CZ-CB 3.96Å; F1101-A1180 WeakPolarHBondContact CZ-O 3.48Å; E1178-A1180 PolarHBondContact O-N 3.11Å; E1178-A1180 VanDerWaalsContact O-N 3.16Å; A1180-A1183 PolarHBondContact O-N 3.23Å; A1180-S1184 PolarHBondContact O-N 2.85Å; A1180-W1212 HydrophobicContact CB-CZ3 4.45Å
1181	G	96.4	Very high	95.1	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65.4	-36.6	172.1	0	0	0	0	0	112.7	I1096 F1097 E1178 S1179 S1184 V1185	I1096-G1181 WeakPolarHBondContact O-CA 3.43Å; F1097-G1181 WeakPolarHBondContact O-CA 3.14Å; F1097-G1181 PolarHBondContact O-N 3.32Å; E1178-G1181 VanDerWaalsContact O-CA 3.24Å; E1178-G1181 WeakPolarHBondContact O-CA 3.37Å; E1178-G1181 PolarHBondContact O-N 3.24Å; S1179-G1181 VanDerWaalsContact C-N 3.26Å; S1179-G1181 PolarHBondContact O-N 2.88Å; G1181-S1184 VanDerWaalsContact O-CB 3.25Å; G1181-S1184 WeakPolarHBondContact O-CB 3.47Å; G1181-S1184 PolarHBondContact O-N 3.36Å; G1181-V1185 PolarHBondContact O-N 3Å
1182	A	96.6	Very high	94.9	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-67.6	-41.8	172.7	0	0	0	0	0	111.5	G1177 E1178 S1179 S1184 V1185 M1186 V1203 L1204	G1177-A1182 WeakPolarHBondContact O-CB 3.49Å; E1178-A1182 PolarHBondContact O-N 2.95Å; E1178-A1182 VanDerWaalsContact O-N 3.17Å; S1179-A1182 WeakPolarHBondContact O-CA 3.28Å; S1179-A1182 WeakPolarHBondContact O-CB 3.35Å; S1179-A1182 PolarHBondContact O-N 3.35Å; A1182-S1184 VanDerWaalsContact C-N 3.28Å; A1182-S1184 PolarHBondContact O-N 2.83Å; A1182-V1185 PolarHBondContact O-N 2.89Å; A1182-M1186 WeakPolarHBondContact O-CG 3.19Å; A1182-M1186 PolarHBondContact O-N 3.01Å; A1182-V1203 HydrophobicContact CB-CG1 3.97Å; A1182-L1204 WeakPolarHBondContact CB-O 3.16Å
1183	A	95.2	Very high	94.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.6	-35.2	170.9	0	0	0	0	0	112.1	F1101 S1179 A1180 M1186 A1187 M1208 W1212 A1213	F1101-A1183 HydrophobicContact CE2-CB 4.08Å; F1101-A1183 HydrophobicContact CZ-CB 3.78Å; S1179-A1183 PolarHBondContact O-N 2.83Å; A1180-A1183 PolarHBondContact O-N 3.23Å; A1183-M1186 CarbonylContact O-C 3.54Å; A1183-M1186 WeakPolarHBondContact O-CB 3.19Å; A1183-M1186 PolarHBondContact O-N 2.89Å; A1183-A1187 PolarHBondContact O-N 2.76Å; A1183-M1208 HydrophobicContact CB-SD 4.16Å; A1183-M1208 WeakPolarHBondContact O-CG 3.39Å; A1183-W1212 HydrophobicContact CB-CH2 4.26Å; A1183-W1212 HydrophobicContact CB-CZ3 4.25Å; A1183-A1213 HydrophobicContact CB-CB 4.04Å
1184	S	96.2	Very high	94.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-63.9	-45.4	170	-98	0	0	0	0	113.7	L1149 Q1152 A1180 G1181 A1182 M1186 A1187 H1188	L1149-S1184 WeakPolarHBondContact CD2-OG 3.25Å; Q1152-S1184 VanDerWaalsContact CD-OG 3.22Å; Q1152-S1184 PolarHBondContact NE2-OG 3.46Å; Q1152-S1184 PolarHBondContact OE1-OG 3.28Å; A1180-S1184 PolarHBondContact O-N 2.85Å; G1181-S1184 VanDerWaalsContact O-CB 3.25Å; G1181-S1184 WeakPolarHBondContact O-CB 3.47Å; G1181-S1184 PolarHBondContact O-N 3.36Å; A1182-S1184 VanDerWaalsContact C-N 3.28Å; A1182-S1184 PolarHBondContact O-N 2.83Å; S1184-M1186 PolarHBondContact O-N 3.46Å; S1184-A1187 WeakPolarHBondContact O-CB 3.3Å; S1184-A1187 PolarHBondContact O-N 3.47Å; S1184-A1187 VanDerWaalsContact O-N 3.08Å; S1184-H1188 PolarHBondContact O-CD2 3.46Å; S1184-H1188 VanDerWaalsContact O-CD2 3.23Å; S1184-H1188 PolarHBondContact O-N 3.37Å
1185	V	96.6	Very high	94.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-57.5	-42.3	172.4	168.4	0	0	0	0	110.5	I1096 I1175 G1181 A1182 H1188 L1189 A1201 V1203	I1096-V1185 HydrophobicContact CD1-CG2 4.14Å; I1175-V1185 HydrophobicContact CB-CG2 4.28Å; I1175-V1185 HydrophobicContact CD1-CB 4.29Å; I1175-V1185 HydrophobicContact CD1-CG1 3.8Å; I1175-V1185 HydrophobicContact CD1-CG2 4.22Å; I1175-V1185 HydrophobicContact CG1-CG1 3.92Å; I1175-V1185 HydrophobicContact CG1-CG2 4.22Å; G1181-V1185 PolarHBondContact O-N 3Å; A1182-V1185 PolarHBondContact O-N 2.89Å; V1185-H1188 PolarHBondContact O-N 2.86Å; V1185-L1189 HydrophobicContact CG1-CD1 4.49Å; V1185-L1189 PolarHBondContact O-N 3.33Å; V1185-A1201 HydrophobicContact CG1-CB 3.83Å; V1185-V1203 HydrophobicContact CB-CG2 4.15Å; V1185-V1203 HydrophobicContact CG1-CG2 3.48Å; V1185-V1203 VanDerWaalsContact CG1-CG2 3.48Å
1186	M	93.8	Very high	94.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.2	-39.9	173.7	-71.3	-57	-56.5	0	0	112.6	A1182 A1183 S1184 H1188 L1189 Y1190 V1203 M1208 I1291 L1381	A1182-M1186 WeakPolarHBondContact O-CG 3.19Å; A1182-M1186 PolarHBondContact O-N 3.01Å; A1183-M1186 CarbonylContact O-C 3.54Å; A1183-M1186 WeakPolarHBondContact O-CB 3.19Å; A1183-M1186 PolarHBondContact O-N 2.89Å; S1184-M1186 PolarHBondContact O-N 3.46Å; M1186-H1188 VanDerWaalsContact C-N 3.34Å; M1186-H1188 PolarHBondContact O-N 3.27Å; M1186-L1189 HydrophobicContact CE-CD1 4.47Å; M1186-L1189 WeakPolarHBondContact O-CB 3.38Å; M1186-L1189 PolarHBondContact O-N 2.91Å; M1186-L1189 VanDerWaalsContact O-N 3.13Å; M1186-L1189 HydrophobicContact SD-CD1 3.71Å; M1186-Y1190 HydrophobicContact CB-CE2 4.32Å; M1186-Y1190 HydrophobicContact CE-CE2 4Å; M1186-Y1190 WeakPolarHBondContact O-CD2 3.45Å; M1186-Y1190 WeakPolarHBondContact O-CE2 3.34Å; M1186-Y1190 PolarHBondContact O-N 3.32Å; M1186-Y1190 VanDerWaalsContact O-N 3.17Å; M1186-V1203 HydrophobicContact CG-CG1 3.95Å; M1186-V1203 HydrophobicContact CG-CG2 4.4Å; M1186-V1203 HydrophobicContact SD-CG1 4.2Å; M1186-V1203 HydrophobicContact SD-CG2 4.12Å; M1186-M1208 HydrophobicContact CB-CB 4.45Å; M1186-M1208 HydrophobicContact CB-CG 3.8Å; M1186-I1291 HydrophobicContact CE-CD1 3.43Å; M1186-I1291 VanDerWaalsContact CE-CD1 3.43Å; M1186-L1381 HydrophobicContact CE-CD1 3.38Å; M1186-L1381 HydrophobicContact CE-CD2 3.82Å; M1186-L1381 HydrophobicContact CE-CG 4.25Å; M1186-L1381 HydrophobicContact CG-CD2 4.16Å; M1186-L1381 HydrophobicContact SD-CD1 4.17Å; M1186-L1381 HydrophobicContact SD-CD2 3.63Å
1187	A	93.3	Very high	94.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.5	-40.5	173.5	0	0	0	0	0	112.4	L1149 A1183 S1184 L1189 Y1190 A1191 M1208 F1278 F1279	L1149-A1187 HydrophobicContact CD1-CB 3.91Å; L1149-A1187 HydrophobicContact CD2-CB 4.34Å; A1183-A1187 PolarHBondContact O-N 2.76Å; S1184-A1187 WeakPolarHBondContact O-CB 3.3Å; S1184-A1187 PolarHBondContact O-N 3.47Å; S1184-A1187 VanDerWaalsContact O-N 3.08Å; A1187-L1189 VanDerWaalsContact C-N 3.32Å; A1187-L1189 PolarHBondContact O-N 3.02Å; A1187-Y1190 PolarHBondContact O-N 2.9Å; A1187-A1191 PolarHBondContact O-N 3.14Å; A1187-A1191 VanDerWaalsContact O-N 3.17Å; A1187-M1208 HydrophobicContact CB-SD 4.28Å; A1187-F1278 HydrophobicContact CB-CE1 4.05Å; A1187-F1279 HydrophobicContact CB-CE1 3.94Å; A1187-F1279 HydrophobicContact CB-CZ 3.81Å
1188	H	94.8	Very high	94.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-67.8	-26.3	173.7	-73.7	-66.4	0	0	0	113.8	Q1152 I1175 S1184 V1185 M1186 S1194 F1198 F1278	Q1152-H1188 WeakPolarHBondContact CB-NE2 3.32Å; I1175-H1188 HydrophobicContact CD1-CB 4.01Å; S1184-H1188 PolarHBondContact O-CD2 3.46Å; S1184-H1188 VanDerWaalsContact O-CD2 3.23Å; S1184-H1188 PolarHBondContact O-N 3.37Å; V1185-H1188 PolarHBondContact O-N 2.86Å; M1186-H1188 VanDerWaalsContact C-N 3.34Å; M1186-H1188 PolarHBondContact O-N 3.27Å; H1188-S1194 WeakPolarHBondContact ND1-CB 3.22Å; H1188-S1194 PolarHBondContact ND1-OG 3.38Å; H1188-F1198 HydrophobicContact CB-CE1 3.95Å; H1188-F1198 HydrophobicContact CB-CZ 4.28Å; H1188-F1278 AromaticContact CE1-CE2 3.86Å; H1188-F1278 AromaticContact CE1-CZ 3.78Å; H1188-F1278 AromaticContact ND1-CZ 3.66Å
1189	L	92.6	Very high	94.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-71.5	-32.6	170.7	-77.8	162	0	0	0	112.7	V1185 M1186 A1187 W1195 F1198 A1201 I1291 K1293 V1295 I1297	V1185-L1189 HydrophobicContact CG1-CD1 4.49Å; V1185-L1189 PolarHBondContact O-N 3.33Å; M1186-L1189 HydrophobicContact CE-CD1 4.47Å; M1186-L1189 WeakPolarHBondContact O-CB 3.38Å; M1186-L1189 PolarHBondContact O-N 2.91Å; M1186-L1189 VanDerWaalsContact O-N 3.13Å; M1186-L1189 HydrophobicContact SD-CD1 3.71Å; A1187-L1189 VanDerWaalsContact C-N 3.32Å; A1187-L1189 PolarHBondContact O-N 3.02Å; L1189-W1195 PolarHBondContact O-NE1 3.34Å; L1189-F1198 HydrophobicContact CD2-CE2 3.68Å; L1189-F1198 HydrophobicContact CD2-CZ 3.85Å; L1189-F1198 HydrophobicContact CG-CE2 4.06Å; L1189-F1198 HydrophobicContact CG-CZ 4Å; L1189-A1201 HydrophobicContact CD1-CB 4.27Å; L1189-I1291 HydrophobicContact CB-CD1 3.7Å; L1189-I1291 HydrophobicContact CB-CG1 4.24Å; L1189-I1291 HydrophobicContact CB-CG2 4.41Å; L1189-I1291 HydrophobicContact CD1-CD1 4.23Å; L1189-I1291 HydrophobicContact CD2-CG2 4.46Å; L1189-I1291 HydrophobicContact CG-CD1 4.48Å; L1189-K1293 HydrophobicContact CD2-CD 4.27Å; L1189-K1293 HydrophobicContact CD2-CG 4.46Å; L1189-V1295 HydrophobicContact CD2-CG2 3.92Å; L1189-I1297 HydrophobicContact CD1-CD1 4.14Å
1190	Y	90.6	Very high	94.2	Very high	16 Å²	16	19.5 Å²	19.5	6%	0.063	10%	0.098	C	C	.	.	H	α-helix	trans	-78.5	-29.2	176.7	-64	-63.7	0	0	0	114.3	M1186 A1187 M1208 N1286 Y1287 I1291	M1186-Y1190 HydrophobicContact CB-CE2 4.32Å; M1186-Y1190 HydrophobicContact CE-CE2 4Å; M1186-Y1190 WeakPolarHBondContact O-CD2 3.45Å; M1186-Y1190 WeakPolarHBondContact O-CE2 3.34Å; M1186-Y1190 PolarHBondContact O-N 3.32Å; M1186-Y1190 VanDerWaalsContact O-N 3.17Å; A1187-Y1190 PolarHBondContact O-N 2.9Å; Y1190-M1208 HydrophobicContact CD2-CG 4.31Å; Y1190-M1208 HydrophobicContact CE2-CB 3.85Å; Y1190-M1208 HydrophobicContact CE2-CG 3.98Å; Y1190-N1286 HydrophobicContact CD1-CB 4.08Å; Y1190-N1286 PolarHBondContact O-ND2 3.46Å; Y1190-Y1287 HydrophobicContact CD2-CD2 4.41Å; Y1190-Y1287 HydrophobicContact CE1-CD2 4.29Å; Y1190-Y1287 HydrophobicContact CE2-CD2 4.04Å; Y1190-Y1287 AromaticContact CZ-CD2 3.97Å; Y1190-I1291 HydrophobicContact CD1-CD1 4.41Å; Y1190-I1291 HydrophobicContact CD1-CG1 3.68Å; Y1190-I1291 HydrophobicContact CE1-CD1 3.93Å; Y1190-I1291 HydrophobicContact CE1-CG1 3.42Å; Y1190-I1291 VanDerWaalsContact CE1-CG1 3.42Å
1191	A	90.7	Very high	94.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.098	C	C	.	.			trans	-94.2	111.9	-173.4	0	0	0	0	0	113.1	A1187 D1193 S1194 F1278 F1279	A1187-A1191 PolarHBondContact O-N 3.14Å; A1187-A1191 VanDerWaalsContact O-N 3.17Å; A1191-D1193 VanDerWaalsContact C-N 3.3Å; A1191-D1193 PolarHBondContact O-N 3.43Å; A1191-S1194 WeakPolarHBondContact O-CB 3.27Å; A1191-S1194 PolarHBondContact O-N 3.47Å; A1191-F1278 HydrophobicContact CB-CD1 4.11Å; A1191-F1278 HydrophobicContact CB-CE1 3.64Å; A1191-F1278 HydrophobicContact CB-CZ 4.13Å; A1191-F1279 HydrophobicContact CB-CD1 4.33Å
1192	E	90.3	Very high	94.3	Very high	60 Å²	60	19.5 Å²	19.5	28%	0.28	10%	0.098	S	C	.	.	G	3₁₀ helix	trans	-56.4	-38.4	-172.6	-58.7	-161.8	155.5	0	0	113.9	S1194 W1195 K1282	E1192-S1194 PolarHBondContact O-N 3.21Å; E1192-W1195 HydrophobicContact CB-CD2 4.21Å; E1192-W1195 HydrophobicContact CB-CE3 4.27Å; E1192-W1195 HydrophobicContact CB-CZ3 4.43Å; E1192-W1195 HydrophobicContact CG-CD2 4.33Å; E1192-W1195 HydrophobicContact CG-CE3 4.28Å; E1192-W1195 HydrophobicContact CG-CH2 3.72Å; E1192-W1195 HydrophobicContact CG-CZ2 3.78Å; E1192-W1195 HydrophobicContact CG-CZ3 3.98Å; E1192-W1195 VanDerWaalsContact O-CB 3.23Å; E1192-W1195 WeakPolarHBondContact O-CB 3.31Å; E1192-W1195 PolarHBondContact O-N 3.17Å; E1192-K1282 HydrophobicContact CG-CD 4.37Å; E1192-K1282 WeakPolarHBondContact OE1-CD 3.48Å; E1192-K1282 IonicContact OE1-NZ 2.98Å; E1192-K1282 PolarHBondContact OE1-NZ 3.21Å; E1192-K1282 VanDerWaalsContact OE2-CD 3.29Å; E1192-K1282 WeakPolarHBondContact OE2-CD 3.34Å; E1192-K1282 WeakPolarHBondContact OE2-CE 3.45Å; E1192-K1282 IonicContact OE2-NZ 2.79Å; E1192-K1282 PolarHBondContact OE2-NZ 3.41Å
1193	D	90.2	Very high	94.2	Very high	90 Å²	90	19.5 Å²	19.5	48%	0.481	10%	0.098	S	C	.	.	G	3₁₀ helix	trans	-60.8	-19.9	178.8	-43.1	-39.4	0	0	0	113.7	R1153 A1191	R1153-D1193 IonicContact CZ-OD2 3.19Å; R1153-D1193 IonicContact NH1-OD2 3.68Å; R1153-D1193 PolarHBondContact NH1-OD2 2.86Å; R1153-D1193 IonicContact NH2-OD2 3.69Å; A1191-D1193 VanDerWaalsContact C-N 3.3Å; A1191-D1193 PolarHBondContact O-N 3.43Å
1194	S	94.2	Very high	94.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-88	-17.2	177.5	-53.4	0	0	0	0	112.3	R1153 H1188 A1191 E1192 P1196 L1197 F1198	R1153-S1194 PolarHBondContact NE-OG 3.38Å; R1153-S1194 PolarHBondContact NH2-OG 3.29Å; H1188-S1194 WeakPolarHBondContact ND1-CB 3.22Å; H1188-S1194 PolarHBondContact ND1-OG 3.38Å; A1191-S1194 WeakPolarHBondContact O-CB 3.27Å; A1191-S1194 PolarHBondContact O-N 3.47Å; E1192-S1194 PolarHBondContact O-N 3.21Å; S1194-P1196 VanDerWaalsContact C-CD 3.5Å; S1194-L1197 WeakPolarHBondContact O-CB 3.25Å; S1194-L1197 WeakPolarHBondContact O-CG 3.34Å; S1194-L1197 PolarHBondContact O-N 2.87Å; S1194-F1198 VanDerWaalsContact O-CD1 3.22Å; S1194-F1198 WeakPolarHBondContact O-CD1 3.31Å; S1194-F1198 VanDerWaalsContact O-CE1 3.31Å; S1194-F1198 WeakPolarHBondContact O-CE1 3.42Å
1195	W	94.5	Very high	94.2	Very high	60 Å²	60	19.5 Å²	19.5	23%	0.227	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-60.8	-34.4	-172.1	-67.5	-2.3	0	0	0	115.7	L1189 E1192 L1197 T1292 K1293	L1189-W1195 PolarHBondContact O-NE1 3.34Å; E1192-W1195 HydrophobicContact CB-CD2 4.21Å; E1192-W1195 HydrophobicContact CB-CE3 4.27Å; E1192-W1195 HydrophobicContact CB-CZ3 4.43Å; E1192-W1195 HydrophobicContact CG-CD2 4.33Å; E1192-W1195 HydrophobicContact CG-CE3 4.28Å; E1192-W1195 HydrophobicContact CG-CH2 3.72Å; E1192-W1195 HydrophobicContact CG-CZ2 3.78Å; E1192-W1195 HydrophobicContact CG-CZ3 3.98Å; E1192-W1195 VanDerWaalsContact O-CB 3.23Å; E1192-W1195 WeakPolarHBondContact O-CB 3.31Å; E1192-W1195 PolarHBondContact O-N 3.17Å; W1195-L1197 PolarHBondContact O-N 3Å; W1195-T1292 WeakPolarHBondContact CH2-OG1 3.38Å; W1195-T1292 VanDerWaalsContact CZ2-OG1 3.24Å; W1195-T1292 WeakPolarHBondContact CZ2-OG1 3.18Å; W1195-K1293 HydrophobicContact CB-CD 3.82Å; W1195-K1293 VanDerWaalsContact CD1-CD 3.48Å; W1195-K1293 HydrophobicContact CD2-CB 3.89Å; W1195-K1293 HydrophobicContact CD2-CD 4.24Å; W1195-K1293 HydrophobicContact CG-CB 4.12Å; W1195-K1293 HydrophobicContact CG-CD 3.58Å; W1195-K1293 HydrophobicContact CG-CG 4.33Å; W1195-K1293 HydrophobicContact CZ2-CB 4.08Å; W1195-K1293 PolarHBondContact O-NZ 2.99Å
1196	P	94.6	Very high	93.9	Very high	88 Å²	88	19.5 Å²	19.5	57%	0.571	10%	0.098	S	C	*	.	G	3₁₀ helix	trans	-73.6	-8.9	175.2	-17.9	33.2	0	0	0	113.7	Q1160 S1194	Q1160-P1196 PolarHBondContact NE2-O 2.97Å; S1194-P1196 VanDerWaalsContact C-CD 3.5Å
1197	L	96.8	Very high	93.7	Very high	17 Å²	17	19.5 Å²	19.5	9%	0.089	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-91.4	-10	-171.1	-46.5	178.6	0	0	0	113.4	R1153 L1156 Q1157 Q1160 V1173 S1194 W1195	R1153-L1197 HydrophobicContact CG-CD1 4.04Å; L1156-L1197 HydrophobicContact CB-CB 3.97Å; L1156-L1197 HydrophobicContact CB-CD1 3.74Å; L1156-L1197 HydrophobicContact CB-CG 4.46Å; Q1157-L1197 HydrophobicContact CG-CD1 3.78Å; Q1157-L1197 HydrophobicContact CG-CD2 3.97Å; Q1160-L1197 HydrophobicContact CB-CD2 4.5Å; Q1160-L1197 HydrophobicContact CG-CB 4.34Å; Q1160-L1197 HydrophobicContact CG-CD2 3.87Å; V1173-L1197 WeakPolarHBondContact CG1-O 3.4Å; S1194-L1197 WeakPolarHBondContact O-CB 3.25Å; S1194-L1197 WeakPolarHBondContact O-CG 3.34Å; S1194-L1197 PolarHBondContact O-N 2.87Å; W1195-L1197 PolarHBondContact O-N 3Å
1198	F	96.3	Very high	93.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.098	C	C	.	.			trans	-153.9	155.3	-177.4	70.3	-82.8	0	0	0	113.4	V1173 I1175 H1188 L1189 S1194 K1293	V1173-F1198 HydrophobicContact CG1-CB 4.37Å; I1175-F1198 HydrophobicContact CB-CB 4.47Å; I1175-F1198 HydrophobicContact CD1-CB 4.28Å; I1175-F1198 HydrophobicContact CD1-CD1 3.8Å; I1175-F1198 HydrophobicContact CD1-CD2 3.51Å; I1175-F1198 HydrophobicContact CD1-CE1 3.91Å; I1175-F1198 HydrophobicContact CD1-CE2 3.61Å; I1175-F1198 HydrophobicContact CD1-CG 3.6Å; I1175-F1198 HydrophobicContact CD1-CZ 3.8Å; I1175-F1198 HydrophobicContact CG1-CB 4.07Å; I1175-F1198 HydrophobicContact CG1-CD1 4.5Å; I1175-F1198 HydrophobicContact CG1-CD2 3.59Å; I1175-F1198 HydrophobicContact CG1-CE2 4.08Å; I1175-F1198 HydrophobicContact CG1-CG 3.82Å; I1175-F1198 HydrophobicContact CG2-CB 3.73Å; I1175-F1198 HydrophobicContact CG2-CG 4.22Å; H1188-F1198 HydrophobicContact CB-CE1 3.95Å; H1188-F1198 HydrophobicContact CB-CZ 4.28Å; L1189-F1198 HydrophobicContact CD2-CE2 3.68Å; L1189-F1198 HydrophobicContact CD2-CZ 3.85Å; L1189-F1198 HydrophobicContact CG-CE2 4.06Å; L1189-F1198 HydrophobicContact CG-CZ 4Å; S1194-F1198 VanDerWaalsContact O-CD1 3.22Å; S1194-F1198 WeakPolarHBondContact O-CD1 3.31Å; S1194-F1198 VanDerWaalsContact O-CE1 3.31Å; S1194-F1198 WeakPolarHBondContact O-CE1 3.42Å; F1198-K1293 HydrophobicContact CE1-CD 4.4Å; F1198-K1293 HydrophobicContact CE2-CD 4.05Å; F1198-K1293 HydrophobicContact CZ-CD 3.79Å; F1198-K1293 VanDerWaalsContact CZ-CE 3.41Å; F1198-K1293 WeakPolarHBondContact O-CE 3.32Å; F1198-K1293 PolarHBondContact O-NZ 2.69Å
1199	H	95.1	Very high	92.9	Very high	58 Å²	58	21.9 Å²	21.9	27%	0.269	12%	0.118	S	C	.	.	S	Bend	trans	-126.8	-21.1	-164	-58.4	79.3	0	0	0	113.1	P1170 N1171 V1173 V1295	P1170-H1199 PolarHBondContact O-CE1 3.37Å; N1171-H1199 PolarHBondContact O-CD2 3.19Å; N1171-H1199 VanDerWaalsContact O-CG 3.3Å; V1173-H1199 PolarHBondContact N-ND1 3Å; V1173-H1199 PolarHBondContact O-N 3.16Å; H1199-V1295 WeakPolarHBondContact O-CB 3.41Å; H1199-V1295 VanDerWaalsContact O-CG1 3.23Å; H1199-V1295 WeakPolarHBondContact O-CG1 3.44Å
1200	R	95.2	Very high	92.8	Very high	20 Å²	20	22 Å²	22	8%	0.075	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	161.2	171.2	-61.1	176.9	-176.1	63.1	13.6	109.2	S1172 V1173 T1174 I1175 P1296 F1452 D1455	S1172-R1200 PolarHBondContact OG-NH1 3.31Å; V1173-R1200 PolarHBondContact O-N 2.97Å; T1174-R1200 WeakPolarHBondContact CA-O 3.46Å; T1174-R1200 HydrophobicContact CG2-CB 3.86Å; I1175-R1200 PolarHBondContact N-O 2.99Å; I1175-R1200 VanDerWaalsContact N-O 3.09Å; R1200-P1296 WeakPolarHBondContact CA-O 3.48Å; R1200-P1296 HydrophobicContact CG-CB 4.06Å; R1200-P1296 HydrophobicContact CG-CG 4.08Å; R1200-F1452 HydrophobicContact CB-CE1 4.22Å; R1200-F1452 HydrophobicContact CB-CZ 4.36Å; R1200-F1452 WeakPolarHBondContact CD-O 3.43Å; R1200-D1455 VanDerWaalsContact CZ-O 3.24Å; R1200-D1455 PolarHBondContact NE-O 3.21Å; R1200-D1455 VanDerWaalsContact NE-O 3.17Å; R1200-D1455 PolarHBondContact NH2-O 3.24Å
1201	A	95.9	Very high	92.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145	176.2	0	0	0	0	0	113	I1175 V1185 L1189 P1296 I1297 L1298 F1452	I1175-A1201 HydrophobicContact CG1-CB 4.32Å; I1175-A1201 CarbonylContact O-C 3.53Å; I1175-A1201 VanDerWaalsContact O-CA 3.3Å; I1175-A1201 WeakPolarHBondContact O-CA 3.39Å; V1185-A1201 HydrophobicContact CG1-CB 3.83Å; L1189-A1201 HydrophobicContact CD1-CB 4.27Å; A1201-P1296 PolarHBondContact N-O 2.86Å; A1201-I1297 HydrophobicContact CB-CG1 4.3Å; A1201-I1297 WeakPolarHBondContact O-CA 3.3Å; A1201-L1298 PolarHBondContact O-N 2.81Å; A1201-F1452 WeakPolarHBondContact O-CZ 3.45Å
1202	I	96	Very high	92.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.3	170.1	-53.3	179.8	0	0	0	108.1	L1093 T1174 I1175 M1176 G1177 L1204 L1298 W1449 F1452 V1453	L1093-I1202 HydrophobicContact CD1-CD1 4.11Å; T1174-I1202 HydrophobicContact CG2-CD1 4.11Å; T1174-I1202 HydrophobicContact CG2-CG1 3.93Å; I1175-I1202 PolarHBondContact O-N 2.95Å; M1176-I1202 WeakPolarHBondContact CA-O 3.26Å; M1176-I1202 HydrophobicContact CB-CB 3.99Å; M1176-I1202 HydrophobicContact CB-CD1 4.47Å; M1176-I1202 HydrophobicContact CG-CB 3.95Å; M1176-I1202 HydrophobicContact CG-CD1 4.44Å; M1176-I1202 HydrophobicContact CG-CG2 4.13Å; G1177-I1202 PolarHBondContact N-O 3.49Å; G1177-I1202 VanDerWaalsContact N-O 3.09Å; I1202-L1204 HydrophobicContact CG2-CD1 4.33Å; I1202-L1204 HydrophobicContact CG2-CD2 3.72Å; I1202-L1204 HydrophobicContact CG2-CG 4.04Å; I1202-L1298 CarbonylContact C-O 3.04Å; I1202-L1298 WeakPolarHBondContact CA-O 3.19Å; I1202-L1298 HydrophobicContact CG1-CB 4.29Å; I1202-L1298 HydrophobicContact CG2-CB 4.45Å; I1202-L1298 HydrophobicContact CG2-CD2 4.39Å; I1202-W1449 HydrophobicContact CD1-CE3 4.27Å; I1202-W1449 HydrophobicContact CG2-CH2 4.38Å; I1202-F1452 HydrophobicContact CD1-CD1 4.03Å; I1202-F1452 HydrophobicContact CD1-CE1 4.22Å; I1202-F1452 HydrophobicContact CG1-CD1 3.94Å; I1202-F1452 HydrophobicContact CG1-CE1 3.64Å; I1202-V1453 HydrophobicContact CD1-CG2 4.24Å
1203	V	95.5	Very high	92.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	106.7	-167	175.6	0	0	0	0	109	A1182 V1185 M1186 G1206 I1297 L1298 L1299 G1300 L1381	A1182-V1203 HydrophobicContact CB-CG1 3.97Å; V1185-V1203 HydrophobicContact CB-CG2 4.15Å; V1185-V1203 HydrophobicContact CG1-CG2 3.48Å; V1185-V1203 VanDerWaalsContact CG1-CG2 3.48Å; M1186-V1203 HydrophobicContact CG-CG1 3.95Å; M1186-V1203 HydrophobicContact CG-CG2 4.4Å; M1186-V1203 HydrophobicContact SD-CG1 4.2Å; M1186-V1203 HydrophobicContact SD-CG2 4.12Å; V1203-G1206 VanDerWaalsContact CG1-O 3.29Å; V1203-G1206 WeakPolarHBondContact CG1-O 3.36Å; V1203-I1297 HydrophobicContact CG2-CG2 4.5Å; V1203-L1298 PolarHBondContact N-O 3.04Å; V1203-L1299 HydrophobicContact CB-CD2 3.83Å; V1203-L1299 HydrophobicContact CG1-CD2 3.89Å; V1203-L1299 CarbonylContact O-C 3.55Å; V1203-L1299 WeakPolarHBondContact O-CA 3.43Å; V1203-G1300 PolarHBondContact O-N 3.12Å; V1203-L1381 HydrophobicContact CG1-CD2 4.24Å
1204	L	95.3	Very high	92.8	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.4	-168.6	-46.3	168.5	0	0	0	110.4	M1176 G1177 E1178 S1179 A1182 I1202 G1206 F1395 L1418 W1449	M1176-L1204 HydrophobicContact CE-CD1 4.4Å; G1177-L1204 WeakPolarHBondContact O-CG 3.42Å; G1177-L1204 PolarHBondContact O-N 2.98Å; E1178-L1204 CarbonylContact C-O 3.29Å; E1178-L1204 VanDerWaalsContact CA-O 3.3Å; E1178-L1204 WeakPolarHBondContact CA-O 3.43Å; E1178-L1204 HydrophobicContact CB-CB 4.08Å; E1178-L1204 HydrophobicContact CB-CD1 4.37Å; E1178-L1204 HydrophobicContact CG-CB 4.46Å; S1179-L1204 PolarHBondContact N-O 3.49Å; A1182-L1204 WeakPolarHBondContact CB-O 3.16Å; I1202-L1204 HydrophobicContact CG2-CD1 4.33Å; I1202-L1204 HydrophobicContact CG2-CD2 3.72Å; I1202-L1204 HydrophobicContact CG2-CG 4.04Å; L1204-G1206 PolarHBondContact O-N 3.06Å; L1204-F1395 HydrophobicContact CD2-CE1 3.55Å; L1204-F1395 HydrophobicContact CD2-CZ 3.64Å; L1204-L1418 HydrophobicContact CD1-CD2 3.89Å; L1204-W1449 HydrophobicContact CD1-CH2 3.56Å; L1204-W1449 HydrophobicContact CD1-CZ2 4.17Å; L1204-W1449 HydrophobicContact CD2-CH2 4.28Å; L1204-W1449 HydrophobicContact CD2-CZ2 4.13Å
1205	S	95.5	Very high	92.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	50.6	35.3	172.4	-53	0	0	0	0	114.6	G1300 N1302 E1305 F1374	S1205-G1300 PolarHBondContact N-O 3.12Å; S1205-N1302 PolarHBondContact OG-ND2 3.11Å; S1205-E1305 VanDerWaalsContact CB-OE1 3.31Å; S1205-E1305 WeakPolarHBondContact CB-OE1 3.25Å; S1205-E1305 PolarHBondContact OG-OE1 3.24Å; S1205-E1305 PolarHBondContact OG-OE2 2.77Å; S1205-F1374 WeakPolarHBondContact O-CD1 3.11Å
1206	G	91.4	Very high	92.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.122	C	C	.	.			trans	-167.8	149.9	-177.7	0	0	0	0	0	114.5	V1203 L1204	V1203-G1206 VanDerWaalsContact CG1-O 3.29Å; V1203-G1206 WeakPolarHBondContact CG1-O 3.36Å; L1204-G1206 PolarHBondContact O-N 3.06Å
1207	S	89.1	Confident	92.1	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.007	11%	0.105	C	C	.	.			trans	-156.9	147.3	-179.5	175.7	0	0	0	0	109.6	A1209 M1210 A1213	S1207-A1209 PolarHBondContact O-N 3.11Å; S1207-A1209 VanDerWaalsContact O-N 3.11Å; S1207-A1209 PolarHBondContact OG-N 3.47Å; S1207-M1210 WeakPolarHBondContact O-CB 3.39Å; S1207-M1210 VanDerWaalsContact O-CG 3.3Å; S1207-M1210 WeakPolarHBondContact O-CG 3.18Å; S1207-M1210 PolarHBondContact O-N 3.15Å; S1207-A1213 WeakPolarHBondContact O-CB 3.21Å
1208	M	88.2	Confident	91.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-13.5	171.9	-72.9	-66	-67.3	0	0	113.2	A1183 M1186 A1187 Y1190 M1210 N1214 P1270 I1272 F1279 Y1287	A1183-M1208 HydrophobicContact CB-SD 4.16Å; A1183-M1208 WeakPolarHBondContact O-CG 3.39Å; M1186-M1208 HydrophobicContact CB-CB 4.45Å; M1186-M1208 HydrophobicContact CB-CG 3.8Å; A1187-M1208 HydrophobicContact CB-SD 4.28Å; Y1190-M1208 HydrophobicContact CD2-CG 4.31Å; Y1190-M1208 HydrophobicContact CE2-CB 3.85Å; Y1190-M1208 HydrophobicContact CE2-CG 3.98Å; M1208-M1210 VanDerWaalsContact C-N 3.31Å; M1208-N1214 HydrophobicContact CE-CB 3.9Å; M1208-N1214 PolarHBondContact O-ND2 2.89Å; M1208-P1270 HydrophobicContact CE-CB 4.04Å; M1208-I1272 HydrophobicContact CE-CD1 4.14Å; M1208-F1279 HydrophobicContact CE-CZ 4.06Å; M1208-Y1287 HydrophobicContact CB-CE2 4.08Å
1209	A	83.3	Confident	91.5	Very high	49 Å²	49	28.3 Å²	28.3	41%	0.405	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-12.6	173.3	0	0	0	0	0	113.7	S1207	S1207-A1209 PolarHBondContact O-N 3.11Å; S1207-A1209 VanDerWaalsContact O-N 3.11Å; S1207-A1209 PolarHBondContact OG-N 3.47Å
1210	M	89.4	Confident	91.3	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	13%	0.129	C	C	.	.	S	Bend	trans	-70.1	144.8	-177.9	-59.3	-51.6	-175.9	0	0	112.1	S1207 M1208 W1212 A1213 Y1373 F1374 G1377 V1378	S1207-M1210 WeakPolarHBondContact O-CB 3.39Å; S1207-M1210 VanDerWaalsContact O-CG 3.3Å; S1207-M1210 WeakPolarHBondContact O-CG 3.18Å; S1207-M1210 PolarHBondContact O-N 3.15Å; M1208-M1210 VanDerWaalsContact C-N 3.31Å; M1210-W1212 HydrophobicContact CB-CD2 4.1Å; M1210-W1212 HydrophobicContact CB-CG 4.2Å; M1210-W1212 HydrophobicContact CB-CZ2 4.11Å; M1210-W1212 HydrophobicContact CG-CZ2 3.9Å; M1210-W1212 PolarHBondContact O-N 2.97Å; M1210-W1212 VanDerWaalsContact O-N 3.11Å; M1210-A1213 HydrophobicContact CB-CB 3.97Å; M1210-A1213 PolarHBondContact O-N 3.22Å; M1210-Y1373 VanDerWaalsContact SD-O 3.35Å; M1210-F1374 WeakPolarHBondContact CE-O 3.37Å; M1210-G1377 VanDerWaalsContact CE-C 3.44Å; M1210-G1377 VanDerWaalsContact CE-CA 3.4Å; M1210-V1378 HydrophobicContact CE-CG2 3.99Å
1211	P	88.2	Confident	91.2	Very high	69 Å²	69	26.7 Å²	26.7	45%	0.448	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-27.4	177.9	-25.6	34.3	0	0	0	114.6	Y1372	P1211-Y1372 HydrophobicContact CG-CE1 3.75Å
1212	W	90.9	Very high	91.1	Very high	5 Å²	5	30.8 Å²	30.8	2%	0.019	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-12	-179.7	60.9	-108.6	0	0	0	114	F1101 S1179 A1180 A1183 M1210 L1264 F1266 Y1373 F1374	F1101-W1212 HydrophobicContact CE2-CZ3 4.28Å; S1179-W1212 WeakPolarHBondContact O-CH2 3.3Å; A1180-W1212 HydrophobicContact CB-CZ3 4.45Å; A1183-W1212 HydrophobicContact CB-CH2 4.26Å; A1183-W1212 HydrophobicContact CB-CZ3 4.25Å; M1210-W1212 HydrophobicContact CB-CD2 4.1Å; M1210-W1212 HydrophobicContact CB-CG 4.2Å; M1210-W1212 HydrophobicContact CB-CZ2 4.11Å; M1210-W1212 HydrophobicContact CG-CZ2 3.9Å; M1210-W1212 PolarHBondContact O-N 2.97Å; M1210-W1212 VanDerWaalsContact O-N 3.11Å; W1212-L1264 WeakPolarHBondContact CB-O 3.35Å; W1212-F1266 HydrophobicContact CB-CD2 3.96Å; W1212-F1266 HydrophobicContact CB-CE2 4.19Å; W1212-F1266 HydrophobicContact CE3-CD2 4.37Å; W1212-F1266 HydrophobicContact CE3-CE2 4.42Å; W1212-F1266 HydrophobicContact CG-CE2 4.46Å; W1212-Y1373 AromaticContact CD1-CD1 3.97Å; W1212-Y1373 PolarHBondContact NE1-O 2.73Å; W1212-F1374 AromaticContact CE2-CE1 3.72Å; W1212-F1374 HydrophobicContact CZ2-CD1 4.16Å; W1212-F1374 AromaticContact CZ2-CE1 3.8Å; W1212-F1374 HydrophobicContact CZ2-CE1 3.8Å; W1212-F1374 AromaticContact NE1-CD1 3.9Å; W1212-F1374 AromaticContact NE1-CE1 3.39Å; W1212-F1374 AromaticContact NE1-CZ 3.81Å
1213	A	92.4	Very high	90.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-15.3	-165.1	0	0	0	0	0	115.3	A1183 S1207 M1210	A1183-A1213 HydrophobicContact CB-CB 4.04Å; S1207-A1213 WeakPolarHBondContact O-CB 3.21Å; M1210-A1213 HydrophobicContact CB-CB 3.97Å; M1210-A1213 PolarHBondContact O-N 3.22Å
1214	N	91.2	Very high	90.9	Very high	31 Å²	31	32.7 Å²	32.7	17%	0.166	16%	0.161	C	C	.	.			trans	-148.7	159.7	177.2	81.2	90.2	0	0	0	112.8	M1208 P1270	M1208-N1214 HydrophobicContact CE-CB 3.9Å; M1208-N1214 PolarHBondContact O-ND2 2.89Å; N1214-P1270 CarbonylContact C-O 3.54Å; N1214-P1270 VanDerWaalsContact CA-O 3.23Å; N1214-P1270 WeakPolarHBondContact CA-O 3.43Å
1215	V	91	Very high	90.9	Very high	18 Å²	18	36.9 Å²	36.9	11%	0.109	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-137.3	159.8	176	69.8	0	0	0	0	111.4	K1219 L1220 Y1223 V1269 P1270 V1271	V1215-K1219 HydrophobicContact CG2-CB 3.97Å; V1215-K1219 HydrophobicContact CG2-CG 4.12Å; V1215-L1220 HydrophobicContact CG1-CB 3.93Å; V1215-L1220 HydrophobicContact CG1-CD1 3.96Å; V1215-L1220 HydrophobicContact CG1-CG 4.46Å; V1215-Y1223 HydrophobicContact CG2-CE2 4.27Å; V1215-V1269 HydrophobicContact CB-CG2 3.75Å; V1215-V1269 HydrophobicContact CG1-CG2 3.69Å; V1215-P1270 PolarHBondContact N-O 3.18Å; V1215-V1271 HydrophobicContact CG1-CG2 3.78Å; V1215-V1271 WeakPolarHBondContact O-CA 3.43Å
1216	R	89	Confident	90.9	Very high	102 Å²	102	40.2 Å²	40.2	39%	0.385	20%	0.198	S	C	.	.			trans	-78.3	139	174.5	-65.8	-69.9	175.2	-160.5	-11.2	111.2	H1218 K1219 L1220 D1273	R1216-H1218 VanDerWaalsContact C-N 3.31Å; R1216-H1218 VanDerWaalsContact CB-CE1 3.47Å; R1216-H1218 WeakPolarHBondContact CB-CE1 3.41Å; R1216-H1218 PolarHBondContact O-N 3.24Å; R1216-H1218 VanDerWaalsContact O-N 3.16Å; R1216-K1219 HydrophobicContact CB-CB 4.49Å; R1216-K1219 PolarHBondContact O-N 2.91Å; R1216-L1220 PolarHBondContact O-N 3.34Å; R1216-D1273 WeakPolarHBondContact CD-OD2 3.43Å; R1216-D1273 IonicContact CZ-OD2 4Å; R1216-D1273 IonicContact NE-OD2 3.84Å; R1216-D1273 IonicContact NH1-OD2 3.49Å; R1216-D1273 PolarHBondContact NH1-OD2 2.63Å
1217	K	88.5	Confident	91	Very high	50 Å²	50	40.2 Å²	40.2	22%	0.217	20%	0.198	C	C	.	.	H	α-helix	trans	-47.9	-47.9	-178.6	-167.6	164.5	176.9	168.5	0	113.4	K1219 L1220 E1221 V1271 D1273 D1274 D1276	K1217-K1219 VanDerWaalsContact C-N 3.3Å; K1217-K1219 PolarHBondContact O-N 3.19Å; K1217-L1220 PolarHBondContact O-N 2.99Å; K1217-E1221 PolarHBondContact O-N 3.45Å; K1217-V1271 HydrophobicContact CB-CG1 3.64Å; K1217-V1271 HydrophobicContact CG-CG1 4.23Å; K1217-D1273 PolarHBondContact N-OD1 3.09Å; K1217-D1274 WeakPolarHBondContact CE-OD1 3.5Å; K1217-D1274 IonicContact NZ-OD1 3.69Å; K1217-D1274 PolarHBondContact NZ-OD1 2.95Å; K1217-D1276 IonicContact NZ-OD2 3.66Å
1218	H	89.4	Confident	91.4	Very high	130 Å²	130	40.1 Å²	40.1	60%	0.602	20%	0.197	S	C	*	.	H	α-helix	trans	-60.4	-36.1	179.6	72.1	-95.6	0	0	0	113.6	R1216 E1222	R1216-H1218 VanDerWaalsContact C-N 3.31Å; R1216-H1218 VanDerWaalsContact CB-CE1 3.47Å; R1216-H1218 WeakPolarHBondContact CB-CE1 3.41Å; R1216-H1218 PolarHBondContact O-N 3.24Å; R1216-H1218 VanDerWaalsContact O-N 3.16Å; H1218-E1222 PolarHBondContact O-N 3.14Å; H1218-E1222 VanDerWaalsContact O-N 3.14Å
1219	K	91.3	Very high	91.7	Very high	60 Å²	60	43 Å²	43	26%	0.261	22%	0.221	S	C	.	.	H	α-helix	trans	-78.9	-36.1	-178.9	-169.9	75.6	-157.5	172.2	0	110.8	V1215 R1216 K1217 E1222 Y1223	V1215-K1219 HydrophobicContact CG2-CB 3.97Å; V1215-K1219 HydrophobicContact CG2-CG 4.12Å; R1216-K1219 HydrophobicContact CB-CB 4.49Å; R1216-K1219 PolarHBondContact O-N 2.91Å; K1217-K1219 VanDerWaalsContact C-N 3.3Å; K1217-K1219 PolarHBondContact O-N 3.19Å; K1219-E1222 WeakPolarHBondContact CD-OE2 3.29Å; K1219-E1222 WeakPolarHBondContact CE-OE2 3.5Å; K1219-E1222 IonicContact NZ-OE1 2.73Å; K1219-E1222 PolarHBondContact NZ-OE1 3.17Å; K1219-E1222 IonicContact NZ-OE2 3.87Å; K1219-E1222 PolarHBondContact NZ-OE2 3.05Å; K1219-E1222 WeakPolarHBondContact O-CB 3.4Å; K1219-E1222 PolarHBondContact O-N 2.97Å; K1219-Y1223 HydrophobicContact CD-CE1 4.43Å; K1219-Y1223 VanDerWaalsContact CE-CZ 3.44Å; K1219-Y1223 WeakPolarHBondContact CE-OH 3.49Å; K1219-Y1223 HydrophobicContact CG-CD2 4.46Å; K1219-Y1223 HydrophobicContact CG-CE1 4.34Å; K1219-Y1223 HydrophobicContact CG-CE2 3.86Å; K1219-Y1223 WeakPolarHBondContact O-CD2 3.41Å; K1219-Y1223 PolarHBondContact O-N 3.38Å
1220	L	91.6	Very high	92.2	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-43.2	170.1	-172.7	74.8	0	0	0	111.7	F1136 A1145 V1215 R1216 K1217 E1222 Y1223 S1224 F1268 V1271	F1136-L1220 VanDerWaalsContact O-CD1 3.23Å; F1136-L1220 WeakPolarHBondContact O-CD1 3.41Å; F1136-L1220 WeakPolarHBondContact O-CD2 3.33Å; A1145-L1220 HydrophobicContact CB-CD2 4.2Å; V1215-L1220 HydrophobicContact CG1-CB 3.93Å; V1215-L1220 HydrophobicContact CG1-CD1 3.96Å; V1215-L1220 HydrophobicContact CG1-CG 4.46Å; R1216-L1220 PolarHBondContact O-N 3.34Å; K1217-L1220 PolarHBondContact O-N 2.99Å; L1220-E1222 VanDerWaalsContact C-N 3.3Å; L1220-E1222 PolarHBondContact O-N 3.18Å; L1220-Y1223 PolarHBondContact O-N 3.37Å; L1220-S1224 VanDerWaalsContact O-CB 3.31Å; L1220-S1224 WeakPolarHBondContact O-CB 3.49Å; L1220-S1224 PolarHBondContact O-N 3.28Å; L1220-S1224 PolarHBondContact O-OG 2.78Å; L1220-F1268 HydrophobicContact CD1-CD1 4.03Å; L1220-V1271 HydrophobicContact CB-CG2 3.83Å; L1220-V1271 HydrophobicContact CD2-CG2 3.41Å; L1220-V1271 VanDerWaalsContact CD2-CG2 3.41Å; L1220-V1271 HydrophobicContact CG-CG2 4.13Å
1221	E	92.1	Very high	92.5	Very high	42 Å²	42	43.7 Å²	43.7	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-34	176	-67.4	-171.8	-154.4	0	0	112.4	K1217 S1224 R1225	K1217-E1221 PolarHBondContact O-N 3.45Å; E1221-S1224 PolarHBondContact O-N 2.65Å; E1221-R1225 WeakPolarHBondContact O-CB 3.37Å; E1221-R1225 WeakPolarHBondContact O-CG 3.49Å; E1221-R1225 PolarHBondContact O-N 2.97Å; E1221-R1225 IonicContact OE2-CZ 3.45Å; E1221-R1225 VanDerWaalsContact OE2-CZ 3.27Å; E1221-R1225 IonicContact OE2-NH1 3.5Å; E1221-R1225 PolarHBondContact OE2-NH1 2.86Å; E1221-R1225 IonicContact OE2-NH2 3.72Å; E1221-R1225 PolarHBondContact OE2-NH2 3.22Å
1222	E	93.1	Very high	92.8	Very high	87 Å²	87	43 Å²	43	41%	0.407	23%	0.23	S	C	.	.	H	α-helix	trans	-61.5	-49.2	172	-169.4	-161.4	129.3	0	0	111	H1218 K1219 L1220 S1224 R1225 T1226	H1218-E1222 PolarHBondContact O-N 3.14Å; H1218-E1222 VanDerWaalsContact O-N 3.14Å; K1219-E1222 WeakPolarHBondContact CD-OE2 3.29Å; K1219-E1222 WeakPolarHBondContact CE-OE2 3.5Å; K1219-E1222 IonicContact NZ-OE1 2.73Å; K1219-E1222 PolarHBondContact NZ-OE1 3.17Å; K1219-E1222 IonicContact NZ-OE2 3.87Å; K1219-E1222 PolarHBondContact NZ-OE2 3.05Å; K1219-E1222 WeakPolarHBondContact O-CB 3.4Å; K1219-E1222 PolarHBondContact O-N 2.97Å; L1220-E1222 VanDerWaalsContact C-N 3.3Å; L1220-E1222 PolarHBondContact O-N 3.18Å; E1222-S1224 VanDerWaalsContact C-N 3.31Å; E1222-S1224 PolarHBondContact O-N 2.84Å; E1222-R1225 PolarHBondContact O-N 3.16Å; E1222-T1226 WeakPolarHBondContact O-CB 3.47Å; E1222-T1226 PolarHBondContact O-N 3.34Å; E1222-T1226 PolarHBondContact O-OG1 3.05Å
1223	Y	93.6	Very high	93	Very high	39 Å²	39	42.8 Å²	42.8	15%	0.153	23%	0.229	C	C	.	.	H	α-helix	trans	-60.8	-39.7	173.9	-62.6	-31.1	0	0	0	112.3	V1215 K1219 L1220 T1226 L1227 M1259 V1267	V1215-Y1223 HydrophobicContact CG2-CE2 4.27Å; K1219-Y1223 HydrophobicContact CD-CE1 4.43Å; K1219-Y1223 VanDerWaalsContact CE-CZ 3.44Å; K1219-Y1223 WeakPolarHBondContact CE-OH 3.49Å; K1219-Y1223 HydrophobicContact CG-CD2 4.46Å; K1219-Y1223 HydrophobicContact CG-CE1 4.34Å; K1219-Y1223 HydrophobicContact CG-CE2 3.86Å; K1219-Y1223 WeakPolarHBondContact O-CD2 3.41Å; K1219-Y1223 PolarHBondContact O-N 3.38Å; L1220-Y1223 PolarHBondContact O-N 3.37Å; Y1223-T1226 WeakPolarHBondContact O-CB 3.3Å; Y1223-T1226 PolarHBondContact O-N 2.91Å; Y1223-L1227 PolarHBondContact O-N 2.88Å; Y1223-M1259 HydrophobicContact CD1-CE 4.38Å; Y1223-M1259 WeakPolarHBondContact O-CE 3.18Å; Y1223-V1267 HydrophobicContact CD1-CG1 4.3Å; Y1223-V1267 HydrophobicContact CD2-CG1 3.67Å; Y1223-V1267 WeakPolarHBondContact CD2-O 3.24Å; Y1223-V1267 HydrophobicContact CE2-CG1 4.32Å; Y1223-V1267 HydrophobicContact CG-CG1 3.66Å
1224	S	94.7	Very high	93	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.9	-40.3	179.1	-57.2	0	0	0	0	111.9	S1138 L1220 E1221 E1222 A1228	S1138-S1224 PolarHBondContact N-OG 3.22Å; S1138-S1224 WeakPolarHBondContact O-CB 3.47Å; S1138-S1224 PolarHBondContact O-OG 3.2Å; S1138-S1224 VanDerWaalsContact O-OG 3.11Å; L1220-S1224 VanDerWaalsContact O-CB 3.31Å; L1220-S1224 WeakPolarHBondContact O-CB 3.49Å; L1220-S1224 PolarHBondContact O-N 3.28Å; L1220-S1224 PolarHBondContact O-OG 2.78Å; E1221-S1224 PolarHBondContact O-N 2.65Å; E1222-S1224 VanDerWaalsContact C-N 3.31Å; E1222-S1224 PolarHBondContact O-N 2.84Å; S1224-A1228 WeakPolarHBondContact O-CB 3.32Å; S1224-A1228 PolarHBondContact O-N 3.16Å
1225	R	95	Very high	93	Very high	88 Å²	88	48.7 Å²	48.7	33%	0.332	28%	0.276	S	S	.	.	H	α-helix	trans	-68.9	-34.6	172.5	-72.4	-173.5	-88.8	-93.8	1	112.1	L1139 E1221 E1222 A1228 A1229 N1237 M1240	L1139-R1225 HydrophobicContact CD2-CG 3.54Å; E1221-R1225 WeakPolarHBondContact O-CB 3.37Å; E1221-R1225 WeakPolarHBondContact O-CG 3.49Å; E1221-R1225 PolarHBondContact O-N 2.97Å; E1221-R1225 IonicContact OE2-CZ 3.45Å; E1221-R1225 VanDerWaalsContact OE2-CZ 3.27Å; E1221-R1225 IonicContact OE2-NH1 3.5Å; E1221-R1225 PolarHBondContact OE2-NH1 2.86Å; E1221-R1225 IonicContact OE2-NH2 3.72Å; E1221-R1225 PolarHBondContact OE2-NH2 3.22Å; E1222-R1225 PolarHBondContact O-N 3.16Å; R1225-A1228 PolarHBondContact O-N 2.87Å; R1225-A1229 WeakPolarHBondContact O-CB 3.28Å; R1225-A1229 PolarHBondContact O-N 3.14Å; R1225-N1237 PolarHBondContact NH1-OD1 3.38Å; R1225-M1240 HydrophobicContact CG-CE 4.37Å; R1225-M1240 HydrophobicContact CG-SD 3.95Å
1226	T	94.6	Very high	93.1	Very high	70 Å²	70	51.6 Å²	51.6	43%	0.429	29%	0.291	S	S	.	.	H	α-helix	trans	-65.8	-44.6	173.7	-60.6	0	0	0	0	112	E1222 Y1223 A1229 A1230 M1259	E1222-T1226 WeakPolarHBondContact O-CB 3.47Å; E1222-T1226 PolarHBondContact O-N 3.34Å; E1222-T1226 PolarHBondContact O-OG1 3.05Å; Y1223-T1226 WeakPolarHBondContact O-CB 3.3Å; Y1223-T1226 PolarHBondContact O-N 2.91Å; T1226-A1229 PolarHBondContact O-N 3.11Å; T1226-A1230 PolarHBondContact O-N 3Å; T1226-M1259 HydrophobicContact CG2-CE 3.78Å; T1226-M1259 HydrophobicContact CG2-SD 4.44Å
1227	L	95.2	Very high	93.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.9	-42.1	174.6	178.8	58.6	0	0	0	111.6	P1133 L1137 Y1223 A1229 A1230 L1231 M1244 I1252 Q1255 M1259 F1268	P1133-L1227 HydrophobicContact CB-CD2 3.58Å; P1133-L1227 HydrophobicContact CG-CD2 3.95Å; L1137-L1227 HydrophobicContact CD1-CD2 4.33Å; Y1223-L1227 PolarHBondContact O-N 2.88Å; L1227-A1229 VanDerWaalsContact C-N 3.34Å; L1227-A1229 PolarHBondContact O-N 3.31Å; L1227-A1230 PolarHBondContact O-N 2.83Å; L1227-L1231 HydrophobicContact CD1-CD1 4.02Å; L1227-L1231 HydrophobicContact CD1-CG 4.28Å; L1227-L1231 HydrophobicContact CG-CD1 3.99Å; L1227-L1231 WeakPolarHBondContact O-CG 3.31Å; L1227-L1231 PolarHBondContact O-N 3.3Å; L1227-M1244 HydrophobicContact CD2-CE 4.07Å; L1227-M1244 HydrophobicContact CG-CE 4.12Å; L1227-I1252 HydrophobicContact CD2-CG2 4.42Å; L1227-Q1255 HydrophobicContact CD1-CB 3.57Å; L1227-M1259 HydrophobicContact CB-SD 3.85Å; L1227-M1259 HydrophobicContact CD1-SD 4.3Å; L1227-F1268 HydrophobicContact CB-CE2 4.46Å; L1227-F1268 HydrophobicContact CB-CZ 3.91Å; L1227-F1268 HydrophobicContact CD2-CE1 4.4Å; L1227-F1268 HydrophobicContact CD2-CE2 3.74Å; L1227-F1268 HydrophobicContact CD2-CZ 3.52Å; L1227-F1268 HydrophobicContact CG-CZ 4.35Å
1228	A	95.8	Very high	93.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-56.9	-47.9	174.1	0	0	0	0	0	111.1	S1224 R1225 A1230 L1231 G1232 C1233 M1240 M1244	S1224-A1228 WeakPolarHBondContact O-CB 3.32Å; S1224-A1228 PolarHBondContact O-N 3.16Å; R1225-A1228 PolarHBondContact O-N 2.87Å; A1228-A1230 PolarHBondContact O-N 3.16Å; A1228-L1231 CarbonylContact O-C 3.54Å; A1228-L1231 PolarHBondContact O-N 2.74Å; A1228-L1231 VanDerWaalsContact O-N 3.15Å; A1228-G1232 PolarHBondContact O-N 3.35Å; A1228-C1233 CarbonylContact C-O 3.53Å; A1228-C1233 VanDerWaalsContact C-O 3.29Å; A1228-C1233 HydrophobicContact CB-CB 4.16Å; A1228-C1233 WeakPolarHBondContact CB-O 3.48Å; A1228-C1233 WeakPolarHBondContact O-CA 3.47Å; A1228-C1233 WeakPolarHBondContact O-CB 3.33Å; A1228-C1233 PolarHBondContact O-N 2.94Å; A1228-M1240 HydrophobicContact CB-CB 4.14Å; A1228-M1240 HydrophobicContact CB-CE 4.36Å; A1228-M1240 HydrophobicContact CB-CG 4.05Å; A1228-M1240 HydrophobicContact CB-SD 3.91Å; A1228-M1244 HydrophobicContact CB-SD 3.72Å
1229	A	94.7	Very high	93.5	Very high	59 Å²	59	49 Å²	49	49%	0.488	29%	0.291	S	S	.	.	H	α-helix	trans	-61.8	-41.1	176.3	0	0	0	0	0	113.1	R1225 T1226 L1227 L1231 G1232	R1225-A1229 WeakPolarHBondContact O-CB 3.28Å; R1225-A1229 PolarHBondContact O-N 3.14Å; T1226-A1229 PolarHBondContact O-N 3.11Å; L1227-A1229 VanDerWaalsContact C-N 3.34Å; L1227-A1229 PolarHBondContact O-N 3.31Å; A1229-L1231 PolarHBondContact O-N 3.48Å; A1229-G1232 PolarHBondContact O-N 2.96Å
1230	A	94.1	Very high	93.7	Very high	48 Å²	48	47.1 Å²	47.1	40%	0.397	28%	0.283	S	S	.	.	H	α-helix	trans	-64.4	-24.8	175.8	0	0	0	0	0	113.5	T1226 L1227 A1228 Q1255	T1226-A1230 PolarHBondContact O-N 3Å; L1227-A1230 PolarHBondContact O-N 2.83Å; A1228-A1230 PolarHBondContact O-N 3.16Å; A1230-Q1255 HydrophobicContact CB-CB 4.16Å; A1230-Q1255 HydrophobicContact CB-CG 4.31Å
1231	L	95.3	Very high	93.8	Very high	18 Å²	18	47.3 Å²	47.3	9%	0.094	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	4	172.5	-66.2	165.6	0	0	0	113.2	L1227 A1228 A1229 C1233 M1244 Q1247 D1251 I1252 Q1255	L1227-L1231 HydrophobicContact CD1-CD1 4.02Å; L1227-L1231 HydrophobicContact CD1-CG 4.28Å; L1227-L1231 HydrophobicContact CG-CD1 3.99Å; L1227-L1231 WeakPolarHBondContact O-CG 3.31Å; L1227-L1231 PolarHBondContact O-N 3.3Å; A1228-L1231 CarbonylContact O-C 3.54Å; A1228-L1231 PolarHBondContact O-N 2.74Å; A1228-L1231 VanDerWaalsContact O-N 3.15Å; A1229-L1231 PolarHBondContact O-N 3.48Å; L1231-C1233 PolarHBondContact O-N 2.71Å; L1231-M1244 HydrophobicContact CD1-CE 3.8Å; L1231-M1244 HydrophobicContact CD1-CG 4.24Å; L1231-Q1247 HydrophobicContact CB-CG 4.33Å; L1231-Q1247 PolarHBondContact O-NE2 3.19Å; L1231-D1251 HydrophobicContact CD2-CB 4.21Å; L1231-I1252 HydrophobicContact CD1-CB 4.48Å; L1231-I1252 HydrophobicContact CD1-CG1 3.9Å; L1231-I1252 HydrophobicContact CD2-CG1 4.44Å; L1231-Q1255 HydrophobicContact CD2-CB 4.26Å; L1231-Q1255 HydrophobicContact CD2-CG 3.81Å; L1231-Q1255 HydrophobicContact CG-CB 4.45Å; L1231-Q1255 HydrophobicContact CG-CG 4.32Å
1232	G	95.2	Very high	93.9	Very high	56 Å²	56	47.5 Å²	47.5	58%	0.577	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	9.1	-174.2	0	0	0	0	0	114.5	A1228 A1229 T1234	A1228-G1232 PolarHBondContact O-N 3.35Å; A1229-G1232 PolarHBondContact O-N 2.96Å; G1232-T1234 PolarHBondContact O-N 2.71Å
1233	C	95.4	Very high	94	Very high	0 Å²	0	45 Å²	45	0%	0	29%	0.285	C	S	.	.			trans	-84.1	99.6	177.2	-65.2	0	0	0	0	110.5	A1228 L1231 C1243 M1244	A1228-C1233 CarbonylContact C-O 3.53Å; A1228-C1233 VanDerWaalsContact C-O 3.29Å; A1228-C1233 HydrophobicContact CB-CB 4.16Å; A1228-C1233 WeakPolarHBondContact CB-O 3.48Å; A1228-C1233 WeakPolarHBondContact O-CA 3.47Å; A1228-C1233 WeakPolarHBondContact O-CB 3.33Å; A1228-C1233 PolarHBondContact O-N 2.94Å; L1231-C1233 PolarHBondContact O-N 2.71Å; C1233-C1243 WeakPolarHBondContact CA-SG 3.25Å; C1233-C1243 HydrophobicContact CB-CB 3.56Å; C1233-C1243 WeakPolarHBondContact CB-SG 3.47Å; C1233-C1243 WeakPolarHBondContact SG-CB 3.4Å; C1233-C1243 CovalentContact SG-SG 2.04Å; C1233-C1243 PolarHBondContact SG-SG 3.4Å; C1233-M1244 HydrophobicContact CB-CG 4.01Å; C1233-M1244 PolarHBondContact SG-N 2.82Å
1234	T	92.2	Very high	94.1	Very high	108 Å²	108	43.2 Å²	43.2	66%	0.663	28%	0.278	S	S	*	.			trans	-111	164.3	179.1	57.1	0	0	0	0	112	G1232	G1232-T1234 PolarHBondContact O-N 2.71Å
1235	G	91.4	Very high	94	Very high	46 Å²	46	45.1 Å²	45.1	47%	0.474	29%	0.287	S	S	.	.	S	Bend	trans	124	-158.2	179.5	0	0	0	0	0	111.9	E1239	G1235-E1239 WeakPolarHBondContact CA-OE2 3.25Å
1236	N	92.5	Very high	93.9	Very high	79 Å²	79	49.5 Å²	49.5	42%	0.422	31%	0.308	S	S	.	.	S	Bend	trans	-75.9	169.4	167	70	65	0	0	0	111.6	T1238 E1239 M1240	N1236-T1238 PolarHBondContact O-N 2.91Å; N1236-T1238 VanDerWaalsContact O-N 3.14Å; N1236-T1238 WeakPolarHBondContact OD1-CA 3.46Å; N1236-T1238 WeakPolarHBondContact OD1-CB 3.29Å; N1236-T1238 PolarHBondContact OD1-N 3.3Å; N1236-T1238 PolarHBondContact OD1-OG1 2.69Å; N1236-E1239 PolarHBondContact N-OE2 3.28Å; N1236-E1239 PolarHBondContact ND2-OE1 2.81Å; N1236-E1239 VanDerWaalsContact ND2-OE1 3.13Å; N1236-E1239 PolarHBondContact ND2-OE2 3.02Å; N1236-E1239 WeakPolarHBondContact O-CB 3.39Å; N1236-E1239 PolarHBondContact O-N 3.27Å; N1236-E1239 PolarHBondContact OD1-N 3.29Å; N1236-M1240 WeakPolarHBondContact O-CG 3.26Å; N1236-M1240 PolarHBondContact O-N 2.95Å
1237	N	91.8	Very high	93.9	Very high	43 Å²	43	48.7 Å²	48.7	23%	0.23	30%	0.299	C	S	.	.	H	α-helix	trans	-50.8	-39.5	-178.8	-76.8	16.5	0	0	0	113.6	L1139 R1225 I1241	L1139-N1237 VanDerWaalsContact C-ND2 3.25Å; L1139-N1237 HydrophobicContact CB-CB 4.05Å; L1139-N1237 WeakPolarHBondContact O-CB 3.13Å; L1139-N1237 PolarHBondContact O-ND2 3.22Å; R1225-N1237 PolarHBondContact NH1-OD1 3.38Å; N1237-I1241 WeakPolarHBondContact O-CG1 3.28Å; N1237-I1241 PolarHBondContact O-N 3.15Å
1238	T	91.2	Very high	93.8	Very high	84 Å²	84	54.9 Å²	54.9	52%	0.515	33%	0.326	S	S	.	.	H	α-helix	trans	-69.1	-41.1	179.8	-45.8	0	0	0	0	111.4	N1236 I1241 A1242	N1236-T1238 PolarHBondContact O-N 2.91Å; N1236-T1238 VanDerWaalsContact O-N 3.14Å; N1236-T1238 WeakPolarHBondContact OD1-CA 3.46Å; N1236-T1238 WeakPolarHBondContact OD1-CB 3.29Å; N1236-T1238 PolarHBondContact OD1-N 3.3Å; N1236-T1238 PolarHBondContact OD1-OG1 2.69Å; T1238-I1241 PolarHBondContact O-N 3.16Å; T1238-A1242 VanDerWaalsContact O-CB 3.27Å; T1238-A1242 WeakPolarHBondContact O-CB 3.31Å; T1238-A1242 PolarHBondContact O-N 2.87Å
1239	E	93.6	Very high	93.5	Very high	101 Å²	101	56.7 Å²	56.7	47%	0.472	34%	0.338	S	S	.	.	H	α-helix	trans	-67.1	-42.9	176.3	-69.7	163.5	170.1	0	0	111.4	G1235 N1236 A1242 C1243	G1235-E1239 WeakPolarHBondContact CA-OE2 3.25Å; N1236-E1239 PolarHBondContact N-OE2 3.28Å; N1236-E1239 PolarHBondContact ND2-OE1 2.81Å; N1236-E1239 VanDerWaalsContact ND2-OE1 3.13Å; N1236-E1239 PolarHBondContact ND2-OE2 3.02Å; N1236-E1239 WeakPolarHBondContact O-CB 3.39Å; N1236-E1239 PolarHBondContact O-N 3.27Å; N1236-E1239 PolarHBondContact OD1-N 3.29Å; E1239-A1242 PolarHBondContact O-N 3.15Å; E1239-C1243 WeakPolarHBondContact O-CB 3.18Å; E1239-C1243 PolarHBondContact O-N 3.18Å
1240	M	94.8	Very high	93.2	Very high	20 Å²	20	58.5 Å²	58.5	10%	0.099	34%	0.337	C	S	.	.	H	α-helix	trans	-56.6	-50.5	173.1	-72.6	-179.8	164	0	0	111.3	L1139 R1225 A1228 N1236 C1243 M1244	L1139-M1240 HydrophobicContact CD1-CB 3.9Å; L1139-M1240 HydrophobicContact CD1-SD 4.32Å; R1225-M1240 HydrophobicContact CG-CE 4.37Å; R1225-M1240 HydrophobicContact CG-SD 3.95Å; A1228-M1240 HydrophobicContact CB-CB 4.14Å; A1228-M1240 HydrophobicContact CB-CE 4.36Å; A1228-M1240 HydrophobicContact CB-CG 4.05Å; A1228-M1240 HydrophobicContact CB-SD 3.91Å; N1236-M1240 WeakPolarHBondContact O-CG 3.26Å; N1236-M1240 PolarHBondContact O-N 2.95Å; M1240-C1243 WeakPolarHBondContact O-CB 3.33Å; M1240-C1243 PolarHBondContact O-N 2.96Å; M1240-M1244 WeakPolarHBondContact O-CG 3.39Å; M1240-M1244 PolarHBondContact O-N 2.89Å
1241	I	94.2	Very high	93.1	Very high	5 Å²	5	59.4 Å²	59.4	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-64.8	-41.3	177.1	-70.3	-59.4	0	0	0	112.2	F1018 L1137 L1139 A1143 N1237 T1238 C1243 M1244 K1245	F1018-I1241 HydrophobicContact CD2-CD1 4.1Å; F1018-I1241 HydrophobicContact CD2-CG2 4.41Å; L1137-I1241 HydrophobicContact CD2-CD1 3.71Å; L1139-I1241 HydrophobicContact CB-CD1 4.29Å; L1139-I1241 HydrophobicContact CB-CG1 4.07Å; L1139-I1241 HydrophobicContact CD1-CD1 3.79Å; L1139-I1241 HydrophobicContact CD1-CG1 3.91Å; L1139-I1241 HydrophobicContact CG-CD1 4.42Å; A1143-I1241 HydrophobicContact CB-CD1 3.46Å; A1143-I1241 VanDerWaalsContact CB-CD1 3.46Å; A1143-I1241 HydrophobicContact CB-CG1 3.94Å; N1237-I1241 WeakPolarHBondContact O-CG1 3.28Å; N1237-I1241 PolarHBondContact O-N 3.15Å; T1238-I1241 PolarHBondContact O-N 3.16Å; I1241-C1243 PolarHBondContact O-N 2.93Å; I1241-M1244 PolarHBondContact O-N 3.24Å; I1241-K1245 HydrophobicContact CG2-CD 3.97Å; I1241-K1245 HydrophobicContact CG2-CG 4.26Å; I1241-K1245 WeakPolarHBondContact O-CB 2.96Å; I1241-K1245 VanDerWaalsContact O-CG 3.28Å; I1241-K1245 WeakPolarHBondContact O-CG 3.3Å; I1241-K1245 PolarHBondContact O-N 3.19Å
1242	A	93.1	Very high	93	Very high	46 Å²	46	58.6 Å²	58.6	38%	0.38	33%	0.33	S	S	.	.	H	α-helix	trans	-64.3	-24.8	176.8	0	0	0	0	0	113.3	T1238 E1239 K1246	T1238-A1242 VanDerWaalsContact O-CB 3.27Å; T1238-A1242 WeakPolarHBondContact O-CB 3.31Å; T1238-A1242 PolarHBondContact O-N 2.87Å; E1239-A1242 PolarHBondContact O-N 3.15Å; A1242-K1246 WeakPolarHBondContact O-CE 3.34Å
1243	C	95.5	Very high	92.7	Very high	36 Å²	36	58 Å²	58	24%	0.243	32%	0.315	C	S	.	.	H	α-helix	trans	-79.4	-50.7	168.5	173.5	0	0	0	0	111.8	C1233 E1239 M1240 I1241 K1245 K1246 Q1247	C1233-C1243 WeakPolarHBondContact CA-SG 3.25Å; C1233-C1243 HydrophobicContact CB-CB 3.56Å; C1233-C1243 WeakPolarHBondContact CB-SG 3.47Å; C1233-C1243 WeakPolarHBondContact SG-CB 3.4Å; C1233-C1243 CovalentContact SG-SG 2.04Å; C1233-C1243 PolarHBondContact SG-SG 3.4Å; E1239-C1243 WeakPolarHBondContact O-CB 3.18Å; E1239-C1243 PolarHBondContact O-N 3.18Å; M1240-C1243 WeakPolarHBondContact O-CB 3.33Å; M1240-C1243 PolarHBondContact O-N 2.96Å; I1241-C1243 PolarHBondContact O-N 2.93Å; C1243-K1245 PolarHBondContact O-N 2.9Å; C1243-K1246 WeakPolarHBondContact O-CA 3.3Å; C1243-K1246 WeakPolarHBondContact O-CB 3.22Å; C1243-K1246 PolarHBondContact O-N 3.32Å; C1243-Q1247 PolarHBondContact O-N 3.21Å
1244	M	95	Very high	92.3	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-62.6	-26.9	-178.2	-69.8	-178.2	68.9	0	0	113.3	R1017 F1018 L1137 L1227 A1228 L1231 C1233 M1240 I1241 K1246 Q1247	R1017-M1244 PolarHBondContact NH1-O 3.04Å; F1018-M1244 HydrophobicContact CE2-CB 3.74Å; F1018-M1244 HydrophobicContact CZ-CB 4.08Å; F1018-M1244 HydrophobicContact CZ-CE 4.29Å; L1137-M1244 HydrophobicContact CD1-CE 3.36Å; L1137-M1244 HydrophobicContact CD1-SD 4.12Å; L1227-M1244 HydrophobicContact CD2-CE 4.07Å; L1227-M1244 HydrophobicContact CG-CE 4.12Å; A1228-M1244 HydrophobicContact CB-SD 3.72Å; L1231-M1244 HydrophobicContact CD1-CE 3.8Å; L1231-M1244 HydrophobicContact CD1-CG 4.24Å; C1233-M1244 HydrophobicContact CB-CG 4.01Å; C1233-M1244 PolarHBondContact SG-N 2.82Å; M1240-M1244 WeakPolarHBondContact O-CG 3.39Å; M1240-M1244 PolarHBondContact O-N 2.89Å; I1241-M1244 PolarHBondContact O-N 3.24Å; M1244-K1246 PolarHBondContact O-N 3.38Å; M1244-Q1247 PolarHBondContact O-N 2.99Å
1245	K	94	Very high	92.3	Very high	41 Å²	41	58.4 Å²	58.4	18%	0.178	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-18	170.3	-77.7	173.1	160.8	-156.3	0	114.5	D1015 F1018 I1241 C1243	D1015-K1245 WeakPolarHBondContact O-CE 3.32Å; D1015-K1245 PolarHBondContact O-NZ 3.32Å; D1015-K1245 WeakPolarHBondContact OD1-CD 3.41Å; D1015-K1245 IonicContact OD1-NZ 2.84Å; D1015-K1245 PolarHBondContact OD1-NZ 2.99Å; D1015-K1245 VanDerWaalsContact OD1-NZ 3.14Å; F1018-K1245 HydrophobicContact CD2-CG 4.06Å; F1018-K1245 HydrophobicContact CE2-CG 4.21Å; I1241-K1245 HydrophobicContact CG2-CD 3.97Å; I1241-K1245 HydrophobicContact CG2-CG 4.26Å; I1241-K1245 WeakPolarHBondContact O-CB 2.96Å; I1241-K1245 VanDerWaalsContact O-CG 3.28Å; I1241-K1245 WeakPolarHBondContact O-CG 3.3Å; I1241-K1245 PolarHBondContact O-N 3.19Å; C1243-K1245 PolarHBondContact O-N 2.9Å
1246	K	93.1	Very high	92.3	Very high	180 Å²	180	56.5 Å²	56.5	78%	0.783	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-12.1	179.8	-58.8	173.4	-174.1	172.8	0	113.5	A1242 C1243 M1244	A1242-K1246 WeakPolarHBondContact O-CE 3.34Å; C1243-K1246 WeakPolarHBondContact O-CA 3.3Å; C1243-K1246 WeakPolarHBondContact O-CB 3.22Å; C1243-K1246 PolarHBondContact O-N 3.32Å; M1244-K1246 PolarHBondContact O-N 3.38Å
1247	Q	94.1	Very high	91.9	Very high	52 Å²	52	53.5 Å²	53.5	24%	0.243	28%	0.279	C	S	.	.	S	Bend	trans	-69.9	152.4	174.8	-62.6	-65.3	-0.4	0	0	110.6	R1017 L1231 C1243 M1244 I1252	R1017-Q1247 PolarHBondContact NH1-O 3.27Å; R1017-Q1247 PolarHBondContact NH2-O 2.96Å; L1231-Q1247 HydrophobicContact CB-CG 4.33Å; L1231-Q1247 PolarHBondContact O-NE2 3.19Å; C1243-Q1247 PolarHBondContact O-N 3.21Å; M1244-Q1247 PolarHBondContact O-N 2.99Å; Q1247-I1252 HydrophobicContact CB-CD1 4.06Å; Q1247-I1252 HydrophobicContact CB-CG1 3.93Å
1248	K	91.9	Very high	91.6	Very high	130 Å²	130	55.1 Å²	55.1	57%	0.565	29%	0.288	S	S	*	.			trans	-73	154	176.1	-50.3	-178.9	-175	166.3	0	111.2	E1250 D1251 I1252	K1248-E1250 VanDerWaalsContact C-N 3.26Å; K1248-E1250 WeakPolarHBondContact CB-OE2 3.5Å; K1248-E1250 PolarHBondContact O-N 2.6Å; K1248-D1251 WeakPolarHBondContact CB-OD2 3.4Å; K1248-D1251 WeakPolarHBondContact CD-OD2 3.37Å; K1248-D1251 WeakPolarHBondContact CG-OD2 3.26Å; K1248-D1251 PolarHBondContact O-N 2.74Å; K1248-I1252 WeakPolarHBondContact O-CG1 3.47Å; K1248-I1252 PolarHBondContact O-N 3.37Å
1249	P	90.1	Very high	91.5	Very high	39 Å²	39	52.9 Å²	52.9	25%	0.253	27%	0.272	S	S	.	.	H	α-helix	trans	-58.5	-39.4	177.6	-21.3	32.5	0	0	0	112.8	E1074 F1134 I1252 V1253	E1074-P1249 HydrophobicContact CG-CB 4.37Å; E1074-P1249 HydrophobicContact CG-CG 4.11Å; F1134-P1249 HydrophobicContact CZ-CB 4.12Å; P1249-I1252 PolarHBondContact O-N 3.43Å; P1249-V1253 WeakPolarHBondContact O-CG2 3.38Å; P1249-V1253 PolarHBondContact O-N 3.05Å; P1249-V1253 VanDerWaalsContact O-N 3.1Å
1250	E	88.1	Confident	90.8	Very high	97 Å²	97	49 Å²	49	45%	0.453	25%	0.254	S	S	.	.	H	α-helix	trans	-69.9	-37.3	-175.3	-48.4	73.3	-150.9	0	0	111.3	F1049 K1248 T1254	F1049-E1250 HydrophobicContact CE2-CB 4.12Å; K1248-E1250 VanDerWaalsContact C-N 3.26Å; K1248-E1250 WeakPolarHBondContact CB-OE2 3.5Å; K1248-E1250 PolarHBondContact O-N 2.6Å; E1250-T1254 VanDerWaalsContact O-CB 3.23Å; E1250-T1254 WeakPolarHBondContact O-CB 3.29Å; E1250-T1254 PolarHBondContact O-N 3.09Å; E1250-T1254 PolarHBondContact O-OG1 2.92Å
1251	D	92.6	Very high	89.7	Confident	67 Å²	67	55.9 Å²	55.9	36%	0.358	29%	0.286	S	S	.	.	H	α-helix	trans	-65.3	-44.1	177	-64.5	-44.3	0	0	0	110.6	L1231 K1248 T1254 Q1255	L1231-D1251 HydrophobicContact CD2-CB 4.21Å; K1248-D1251 WeakPolarHBondContact CB-OD2 3.4Å; K1248-D1251 WeakPolarHBondContact CD-OD2 3.37Å; K1248-D1251 WeakPolarHBondContact CG-OD2 3.26Å; K1248-D1251 PolarHBondContact O-N 2.74Å; D1251-T1254 PolarHBondContact O-N 3.18Å; D1251-Q1255 WeakPolarHBondContact O-CG 3.22Å; D1251-Q1255 PolarHBondContact O-N 3.13Å
1252	I	92.7	Very high	88.9	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.2	-50.5	177	-66.6	165.8	0	0	0	111	F1018 P1133 F1134 L1227 L1231 Q1247 K1248 P1249 S1256	F1018-I1252 HydrophobicContact CZ-CD1 4.29Å; P1133-I1252 HydrophobicContact CB-CG2 4.22Å; P1133-I1252 HydrophobicContact CG-CG2 3.56Å; F1134-I1252 HydrophobicContact CE1-CD1 3.95Å; F1134-I1252 HydrophobicContact CE1-CG2 4.34Å; F1134-I1252 HydrophobicContact CE2-CG2 4.5Å; F1134-I1252 HydrophobicContact CZ-CB 4.17Å; F1134-I1252 HydrophobicContact CZ-CD1 4.16Å; F1134-I1252 HydrophobicContact CZ-CG2 4Å; L1227-I1252 HydrophobicContact CD2-CG2 4.42Å; L1231-I1252 HydrophobicContact CD1-CB 4.48Å; L1231-I1252 HydrophobicContact CD1-CG1 3.9Å; L1231-I1252 HydrophobicContact CD2-CG1 4.44Å; Q1247-I1252 HydrophobicContact CB-CD1 4.06Å; Q1247-I1252 HydrophobicContact CB-CG1 3.93Å; K1248-I1252 WeakPolarHBondContact O-CG1 3.47Å; K1248-I1252 PolarHBondContact O-N 3.37Å; P1249-I1252 PolarHBondContact O-N 3.43Å; I1252-S1256 WeakPolarHBondContact O-CB 3.23Å; I1252-S1256 PolarHBondContact O-N 3.26Å
1253	V	88.6	Confident	88.4	Confident	44 Å²	44	58 Å²	58	27%	0.267	29%	0.29	S	S	.	.	H	α-helix	trans	-68.9	-38.2	-179.1	177	0	0	0	0	111.4	F1049 F1134 P1249 Q1255 S1256 A1257	F1049-V1253 HydrophobicContact CE1-CG1 4.2Å; F1049-V1253 HydrophobicContact CE2-CB 4.09Å; F1049-V1253 HydrophobicContact CE2-CG1 4.09Å; F1049-V1253 HydrophobicContact CZ-CB 3.64Å; F1049-V1253 HydrophobicContact CZ-CG1 3.44Å; F1049-V1253 VanDerWaalsContact CZ-CG1 3.44Å; F1049-V1253 HydrophobicContact CZ-CG2 4.39Å; F1134-V1253 HydrophobicContact CE2-CG2 3.6Å; F1134-V1253 HydrophobicContact CZ-CG2 4.32Å; P1249-V1253 WeakPolarHBondContact O-CG2 3.38Å; P1249-V1253 PolarHBondContact O-N 3.05Å; P1249-V1253 VanDerWaalsContact O-N 3.1Å; V1253-Q1255 PolarHBondContact O-N 3.38Å; V1253-S1256 PolarHBondContact O-N 2.87Å; V1253-A1257 WeakPolarHBondContact O-CB 3.2Å; V1253-A1257 PolarHBondContact O-N 3.18Å
1254	T	88	Confident	87.8	Confident	52 Å²	52	56.4 Å²	56.4	32%	0.319	28%	0.279	S	S	.	.	H	α-helix	trans	-59.6	-47.9	176.9	-60.8	0	0	0	0	111	E1250 D1251 A1257 N1258	E1250-T1254 VanDerWaalsContact O-CB 3.23Å; E1250-T1254 WeakPolarHBondContact O-CB 3.29Å; E1250-T1254 PolarHBondContact O-N 3.09Å; E1250-T1254 PolarHBondContact O-OG1 2.92Å; D1251-T1254 PolarHBondContact O-N 3.18Å; T1254-A1257 PolarHBondContact O-N 3.35Å; T1254-N1258 VanDerWaalsContact O-CG 3.24Å; T1254-N1258 PolarHBondContact O-N 3.01Å; T1254-N1258 PolarHBondContact O-ND2 2.94Å
1255	Q	92	Very high	87.3	Confident	64 Å²	64	60.3 Å²	60.3	30%	0.299	30%	0.297	S	S	.	.	H	α-helix	trans	-69.8	-36.4	177.8	-61.5	-56.9	-5.2	0	0	112.4	L1227 A1230 L1231 D1251 V1253 A1257 N1258 M1259	L1227-Q1255 HydrophobicContact CD1-CB 3.57Å; A1230-Q1255 HydrophobicContact CB-CB 4.16Å; A1230-Q1255 HydrophobicContact CB-CG 4.31Å; L1231-Q1255 HydrophobicContact CD2-CB 4.26Å; L1231-Q1255 HydrophobicContact CD2-CG 3.81Å; L1231-Q1255 HydrophobicContact CG-CB 4.45Å; L1231-Q1255 HydrophobicContact CG-CG 4.32Å; D1251-Q1255 WeakPolarHBondContact O-CG 3.22Å; D1251-Q1255 PolarHBondContact O-N 3.13Å; V1253-Q1255 PolarHBondContact O-N 3.38Å; Q1255-A1257 VanDerWaalsContact C-N 3.27Å; Q1255-A1257 PolarHBondContact O-N 3.43Å; Q1255-N1258 PolarHBondContact O-N 3.13Å; Q1255-N1258 PolarHBondContact OE1-ND2 2.85Å; Q1255-M1259 WeakPolarHBondContact O-CG 3.5Å; Q1255-M1259 PolarHBondContact O-N 3.46Å
1256	S	90.8	Very high	87	Confident	6 Å²	6	59.2 Å²	59.2	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-33.5	172.8	-175.7	0	0	0	0	112.9	I1252 V1253 M1259 F1268	I1252-S1256 WeakPolarHBondContact O-CB 3.23Å; I1252-S1256 PolarHBondContact O-N 3.26Å; V1253-S1256 PolarHBondContact O-N 2.87Å; S1256-M1259 PolarHBondContact O-N 3.21Å; S1256-F1268 VanDerWaalsContact OG-CD2 3.25Å; S1256-F1268 WeakPolarHBondContact OG-CD2 3.38Å; S1256-F1268 WeakPolarHBondContact OG-CE2 3.23Å
1257	A	84	Confident	86.8	Confident	16 Å²	16	50.9 Å²	50.9	13%	0.132	26%	0.256	C	S	.	.	H	α-helix	trans	-72.5	-35.6	177.3	0	0	0	0	0	112.1	P1052 V1253 T1254 Q1255 M1259 M1260	P1052-A1257 HydrophobicContact CG-CB 4.42Å; V1253-A1257 WeakPolarHBondContact O-CB 3.2Å; V1253-A1257 PolarHBondContact O-N 3.18Å; T1254-A1257 PolarHBondContact O-N 3.35Å; Q1255-A1257 VanDerWaalsContact C-N 3.27Å; Q1255-A1257 PolarHBondContact O-N 3.43Å; A1257-M1259 PolarHBondContact O-N 3.42Å; A1257-M1260 HydrophobicContact CB-CE 4.37Å; A1257-M1260 PolarHBondContact O-N 3.19Å
1258	N	86.3	Confident	86.8	Confident	77 Å²	77	48.4 Å²	48.4	41%	0.412	25%	0.245	S	C	.	.	H	α-helix	trans	-64.9	-16.9	175.6	-64.4	-27.3	0	0	0	113.7	T1254 Q1255 Q1261	T1254-N1258 VanDerWaalsContact O-CG 3.24Å; T1254-N1258 PolarHBondContact O-N 3.01Å; T1254-N1258 PolarHBondContact O-ND2 2.94Å; Q1255-N1258 PolarHBondContact O-N 3.13Å; Q1255-N1258 PolarHBondContact OE1-ND2 2.85Å; N1258-Q1261 PolarHBondContact O-NE2 3.45Å
1259	M	88.2	Confident	86.8	Confident	37 Å²	37	42.3 Å²	42.3	18%	0.182	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-17	177.9	-65.8	176.2	66.7	0	0	114	Y1223 T1226 L1227 Q1255 S1256 A1257 Q1261 V1267 F1268	Y1223-M1259 HydrophobicContact CD1-CE 4.38Å; Y1223-M1259 WeakPolarHBondContact O-CE 3.18Å; T1226-M1259 HydrophobicContact CG2-CE 3.78Å; T1226-M1259 HydrophobicContact CG2-SD 4.44Å; L1227-M1259 HydrophobicContact CB-SD 3.85Å; L1227-M1259 HydrophobicContact CD1-SD 4.3Å; Q1255-M1259 WeakPolarHBondContact O-CG 3.5Å; Q1255-M1259 PolarHBondContact O-N 3.46Å; S1256-M1259 PolarHBondContact O-N 3.21Å; A1257-M1259 PolarHBondContact O-N 3.42Å; M1259-Q1261 PolarHBondContact O-N 3.34Å; M1259-V1267 HydrophobicContact CB-CG2 4.12Å; M1259-V1267 HydrophobicContact CE-CG1 3.89Å; M1259-F1268 HydrophobicContact SD-CE2 4.35Å
1260	M	79.3	Confident	87	Confident	21 Å²	21	40.4 Å²	40.4	10%	0.103	21%	0.207	C	C	.	.			trans	-84	92.3	179.4	-66.3	-174.1	-77.8	0	0	110	F1053 V1102 A1257 F1266 V1267	F1053-M1260 HydrophobicContact CE2-CB 4.02Å; F1053-M1260 HydrophobicContact CE2-CE 4.05Å; F1053-M1260 HydrophobicContact CE2-SD 4.26Å; F1053-M1260 HydrophobicContact CZ-CB 3.72Å; V1102-M1260 HydrophobicContact CG1-CE 4.5Å; V1102-M1260 HydrophobicContact CG1-SD 4.07Å; V1102-M1260 HydrophobicContact CG2-SD 4.46Å; A1257-M1260 HydrophobicContact CB-CE 4.37Å; A1257-M1260 PolarHBondContact O-N 3.19Å; M1260-F1266 HydrophobicContact SD-CD1 4.03Å; M1260-V1267 HydrophobicContact CG-CB 4.49Å; M1260-V1267 HydrophobicContact CG-CG2 3.85Å
1261	Q	72.3	Confident	87.1	Confident	164 Å²	164	35.8 Å²	35.8	77%	0.766	19%	0.185	S	C	*	.			trans	-111.5	-31.5	-176	-60.9	-175.2	11.8	0	0	113.6	N1258 M1259	N1258-Q1261 PolarHBondContact O-NE2 3.45Å; M1259-Q1261 PolarHBondContact O-N 3.34Å
1262	D	77.2	Confident	86.6	Confident	81 Å²	81	32.8 Å²	32.8	43%	0.433	17%	0.169	S	C	.	.	S	Bend	trans	-88.9	153.6	-179.2	-57.8	-58	0	0	0	112.4	L1264 Q1265	D1262-L1264 PolarHBondContact O-N 3.01Å; D1262-Q1265 HydrophobicContact CB-CB 3.74Å; D1262-Q1265 HydrophobicContact CB-CG 4.42Å; D1262-Q1265 PolarHBondContact O-N 2.97Å; D1262-Q1265 PolarHBondContact OD2-NE2 3.39Å
1263	Y	83.3	Confident	85.9	Confident	15 Å²	15	34.7 Å²	34.7	6%	0.059	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	122.4	-174	-164.9	-86.6	0	0	0	112.2	Q1265 W1309 Y1313 Y1314 V1369 Y1373	Y1263-Q1265 PolarHBondContact O-N 2.8Å; Y1263-Q1265 VanDerWaalsContact O-N 3.12Å; Y1263-W1309 WeakPolarHBondContact OH-CB 3.46Å; Y1263-W1309 PolarHBondContact OH-O 2.83Å; Y1263-Y1313 AromaticContact CD2-CD1 3.92Å; Y1263-Y1313 HydrophobicContact CD2-CD1 3.92Å; Y1263-Y1313 HydrophobicContact CD2-CD2 4.06Å; Y1263-Y1313 AromaticContact CD2-CG 3.58Å; Y1263-Y1313 HydrophobicContact CD2-CG 3.58Å; Y1263-Y1313 HydrophobicContact CE2-CD1 4.37Å; Y1263-Y1313 AromaticContact CE2-CD2 3.78Å; Y1263-Y1313 HydrophobicContact CE2-CD2 3.78Å; Y1263-Y1313 AromaticContact CE2-CG 3.57Å; Y1263-Y1313 HydrophobicContact CE2-CG 3.57Å; Y1263-Y1313 HydrophobicContact CG-CD1 4.5Å; Y1263-Y1313 HydrophobicContact CG-CG 4.38Å; Y1263-Y1314 HydrophobicContact CD2-CE1 4.06Å; Y1263-Y1314 AromaticContact CD2-CE2 3.88Å; Y1263-Y1314 HydrophobicContact CD2-CE2 3.88Å; Y1263-Y1314 AromaticContact CD2-CZ 3.42Å; Y1263-Y1314 VanDerWaalsContact CD2-CZ 3.42Å; Y1263-Y1314 WeakPolarHBondContact CD2-OH 3.37Å; Y1263-Y1314 HydrophobicContact CE2-CD2 4.12Å; Y1263-Y1314 HydrophobicContact CE2-CE1 4.26Å; Y1263-Y1314 AromaticContact CE2-CE2 3.39Å; Y1263-Y1314 HydrophobicContact CE2-CE2 3.39Å; Y1263-Y1314 AromaticContact CE2-CZ 3.46Å; Y1263-Y1314 VanDerWaalsContact CE2-CZ 3.46Å; Y1263-Y1314 WeakPolarHBondContact CE2-OH 3.19Å; Y1263-V1369 HydrophobicContact CE1-CG1 3.85Å; Y1263-V1369 HydrophobicContact CE1-CG2 4.15Å; Y1263-Y1373 AromaticContact CD1-CE2 3.73Å; Y1263-Y1373 HydrophobicContact CD1-CE2 3.73Å; Y1263-Y1373 AromaticContact CD1-CZ 3.88Å; Y1263-Y1373 HydrophobicContact CE1-CD2 4.43Å; Y1263-Y1373 AromaticContact CE1-CE2 3.89Å; Y1263-Y1373 HydrophobicContact CE1-CE2 3.89Å; Y1263-Y1373 PolarHBondContact O-OH 3.25Å
1264	L	83.2	Confident	85	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.01	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	20.3	-173.9	-78.8	170.1	0	0	0	115.5	W1212 D1262 F1266 W1309 Y1313 Y1373 F1374	W1212-L1264 WeakPolarHBondContact CB-O 3.35Å; D1262-L1264 PolarHBondContact O-N 3.01Å; L1264-F1266 HydrophobicContact CD2-CE2 4.03Å; L1264-F1266 HydrophobicContact CD2-CZ 3.85Å; L1264-F1266 PolarHBondContact O-N 3.22Å; L1264-W1309 HydrophobicContact CD1-CD2 4.4Å; L1264-W1309 HydrophobicContact CD1-CG 4.25Å; L1264-W1309 HydrophobicContact CD2-CD2 3.78Å; L1264-W1309 HydrophobicContact CD2-CE3 3.68Å; L1264-W1309 HydrophobicContact CD2-CG 4.45Å; L1264-W1309 HydrophobicContact CD2-CH2 3.94Å; L1264-W1309 HydrophobicContact CD2-CZ2 4.05Å; L1264-W1309 HydrophobicContact CD2-CZ3 3.76Å; L1264-W1309 HydrophobicContact CG-CD2 4.46Å; L1264-Y1313 WeakPolarHBondContact CA-OH 3.34Å; L1264-Y1313 HydrophobicContact CD2-CE2 3.96Å; L1264-Y1313 HydrophobicContact CG-CE2 3.92Å; L1264-Y1313 VanDerWaalsContact N-CZ 3.34Å; L1264-Y1313 PolarHBondContact N-OH 3.19Å; L1264-Y1373 HydrophobicContact CB-CD1 4.06Å; L1264-Y1373 HydrophobicContact CB-CE1 3.77Å; L1264-Y1373 HydrophobicContact CD1-CD1 3.91Å; L1264-Y1373 HydrophobicContact CD1-CD2 3.65Å; L1264-Y1373 HydrophobicContact CD1-CE1 4.26Å; L1264-Y1373 HydrophobicContact CD1-CE2 4.06Å; L1264-Y1373 HydrophobicContact CD1-CG 3.55Å; L1264-F1374 HydrophobicContact CD1-CE2 3.82Å; L1264-F1374 HydrophobicContact CD1-CZ 4.01Å; L1264-F1374 HydrophobicContact CD2-CZ 4.37Å
1265	Q	83.7	Confident	84	Confident	81 Å²	81	34 Å²	34	38%	0.379	17%	0.172	S	C	.	.			trans	-92.6	81.9	179.3	-163.9	172.4	-79.9	0	0	112	D1262 Y1263	D1262-Q1265 HydrophobicContact CB-CB 3.74Å; D1262-Q1265 HydrophobicContact CB-CG 4.42Å; D1262-Q1265 PolarHBondContact O-N 2.97Å; D1262-Q1265 PolarHBondContact OD2-NE2 3.39Å; Y1263-Q1265 PolarHBondContact O-N 2.8Å; Y1263-Q1265 VanDerWaalsContact O-N 3.12Å
1266	F	87	Confident	82.7	Confident	18 Å²	18	36.9 Å²	36.9	8%	0.079	19%	0.189	C	C	.	.			trans	-67.4	131.9	172	-54.5	-61.3	0	0	0	110.7	G1100 V1102 W1212 M1260 L1264 V1269 W1309	G1100-F1266 VanDerWaalsContact O-CG 3.29Å; G1100-F1266 WeakPolarHBondContact O-CG 3.46Å; V1102-F1266 HydrophobicContact CG1-CB 4.44Å; V1102-F1266 HydrophobicContact CG1-CD1 4.31Å; V1102-F1266 HydrophobicContact CG2-CD1 3.89Å; V1102-F1266 HydrophobicContact CG2-CE1 4.09Å; W1212-F1266 HydrophobicContact CB-CD2 3.96Å; W1212-F1266 HydrophobicContact CB-CE2 4.19Å; W1212-F1266 HydrophobicContact CE3-CD2 4.37Å; W1212-F1266 HydrophobicContact CE3-CE2 4.42Å; W1212-F1266 HydrophobicContact CG-CE2 4.46Å; M1260-F1266 HydrophobicContact SD-CD1 4.03Å; L1264-F1266 HydrophobicContact CD2-CE2 4.03Å; L1264-F1266 HydrophobicContact CD2-CZ 3.85Å; L1264-F1266 PolarHBondContact O-N 3.22Å; F1266-V1269 HydrophobicContact CB-CG1 3.49Å; F1266-V1269 VanDerWaalsContact CB-CG1 3.49Å; F1266-W1309 HydrophobicContact CZ-CH2 4.15Å; F1266-W1309 HydrophobicContact CZ-CZ3 4.39Å
1267	V	89.4	Confident	82.3	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.03	20%	0.204	C	C	.	.	S	Bend	trans	-85.3	-38.8	-168	172.7	0	0	0	0	113	Y1223 M1259 M1260	Y1223-V1267 HydrophobicContact CD1-CG1 4.3Å; Y1223-V1267 HydrophobicContact CD2-CG1 3.67Å; Y1223-V1267 WeakPolarHBondContact CD2-O 3.24Å; Y1223-V1267 HydrophobicContact CE2-CG1 4.32Å; Y1223-V1267 HydrophobicContact CG-CG1 3.66Å; M1259-V1267 HydrophobicContact CB-CG2 4.12Å; M1259-V1267 HydrophobicContact CE-CG1 3.89Å; M1260-V1267 HydrophobicContact CG-CB 4.49Å; M1260-V1267 HydrophobicContact CG-CG2 3.85Å
1268	F	93.3	Very high	82.7	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-112.4	86.8	-175.6	-70.3	-77.6	0	0	0	109.3	P1133 F1136 L1137 L1220 L1227 S1256 M1259	P1133-F1268 HydrophobicContact CB-CD1 4.21Å; P1133-F1268 HydrophobicContact CB-CD2 4.2Å; P1133-F1268 HydrophobicContact CB-CE1 4.26Å; P1133-F1268 HydrophobicContact CB-CE2 4.26Å; P1133-F1268 HydrophobicContact CB-CG 4.19Å; P1133-F1268 HydrophobicContact CB-CZ 4.3Å; F1136-F1268 VanDerWaalsContact CB-C 3.47Å; F1136-F1268 HydrophobicContact CB-CB 4.06Å; F1136-F1268 WeakPolarHBondContact CB-O 3.34Å; L1137-F1268 HydrophobicContact CB-CD1 4.25Å; L1137-F1268 HydrophobicContact CB-CE1 4.15Å; L1137-F1268 HydrophobicContact CD1-CE1 4.39Å; L1137-F1268 HydrophobicContact CG-CE1 4.34Å; L1220-F1268 HydrophobicContact CD1-CD1 4.03Å; L1227-F1268 HydrophobicContact CB-CE2 4.46Å; L1227-F1268 HydrophobicContact CB-CZ 3.91Å; L1227-F1268 HydrophobicContact CD2-CE1 4.4Å; L1227-F1268 HydrophobicContact CD2-CE2 3.74Å; L1227-F1268 HydrophobicContact CD2-CZ 3.52Å; L1227-F1268 HydrophobicContact CG-CZ 4.35Å; S1256-F1268 VanDerWaalsContact OG-CD2 3.25Å; S1256-F1268 WeakPolarHBondContact OG-CD2 3.38Å; S1256-F1268 WeakPolarHBondContact OG-CE2 3.23Å; M1259-F1268 HydrophobicContact SD-CE2 4.35Å
1269	V	93.6	Very high	82.7	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.012	18%	0.179	C	C	.	.			trans	-130.1	167.2	-173.4	-61.3	0	0	0	0	110.7	F1101 V1215 F1266	F1101-V1269 HydrophobicContact CB-CG1 4.37Å; F1101-V1269 HydrophobicContact CD2-CB 4.2Å; F1101-V1269 HydrophobicContact CD2-CG1 4.05Å; V1215-V1269 HydrophobicContact CB-CG2 3.75Å; V1215-V1269 HydrophobicContact CG1-CG2 3.69Å; F1266-V1269 HydrophobicContact CB-CG1 3.49Å; F1266-V1269 VanDerWaalsContact CB-CG1 3.49Å
1270	P	93.5	Very high	82.3	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.			trans	-49.6	139.7	178.2	-31.6	35.7	0	0	0	115.4	F1101 F1136 N1146 L1149 M1208 N1214 V1215	F1101-P1270 HydrophobicContact CD1-CG 4.29Å; F1101-P1270 HydrophobicContact CD2-CG 4.34Å; F1101-P1270 HydrophobicContact CE1-CG 3.78Å; F1101-P1270 VanDerWaalsContact CE2-CD 3.46Å; F1101-P1270 HydrophobicContact CE2-CG 3.83Å; F1101-P1270 HydrophobicContact CZ-CG 3.52Å; F1136-P1270 HydrophobicContact CD1-CG 4.25Å; F1136-P1270 HydrophobicContact CE1-CB 4.46Å; F1136-P1270 HydrophobicContact CE1-CG 3.72Å; F1136-P1270 HydrophobicContact CZ-CG 4.4Å; N1146-P1270 WeakPolarHBondContact OD1-CA 3.12Å; L1149-P1270 HydrophobicContact CD1-CB 4.1Å; L1149-P1270 HydrophobicContact CD1-CG 4.19Å; M1208-P1270 HydrophobicContact CE-CB 4.04Å; N1214-P1270 CarbonylContact C-O 3.54Å; N1214-P1270 VanDerWaalsContact CA-O 3.23Å; N1214-P1270 WeakPolarHBondContact CA-O 3.43Å; V1215-P1270 PolarHBondContact N-O 3.18Å
1271	V	90.1	Very high	82.1	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-102.5	112.2	171.7	171.2	0	0	0	0	109.5	A1145 N1146 V1215 K1217 L1220 D1273 D1274 F1279	A1145-V1271 HydrophobicContact CB-CB 4.2Å; A1145-V1271 HydrophobicContact CB-CG2 4.38Å; N1146-V1271 PolarHBondContact ND2-O 3.08Å; N1146-V1271 PolarHBondContact OD1-N 3Å; V1215-V1271 HydrophobicContact CG1-CG2 3.78Å; V1215-V1271 WeakPolarHBondContact O-CA 3.43Å; K1217-V1271 HydrophobicContact CB-CG1 3.64Å; K1217-V1271 HydrophobicContact CG-CG1 4.23Å; L1220-V1271 HydrophobicContact CB-CG2 3.83Å; L1220-V1271 HydrophobicContact CD2-CG2 3.41Å; L1220-V1271 VanDerWaalsContact CD2-CG2 3.41Å; L1220-V1271 HydrophobicContact CG-CG2 4.13Å; V1271-D1273 WeakPolarHBondContact CG1-OD1 3.4Å; V1271-D1274 HydrophobicContact CB-CB 4.35Å; V1271-D1274 HydrophobicContact CG1-CB 3.84Å; V1271-F1279 WeakPolarHBondContact O-CD2 3.26Å; V1271-F1279 WeakPolarHBondContact O-CE2 3.23Å
1272	I	81.8	Confident	82.5	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.015	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-23.4	-176.6	-166.7	55.8	0	0	0	113.3	M1208 F1279 V1284 Y1287	M1208-I1272 HydrophobicContact CE-CD1 4.14Å; I1272-F1279 HydrophobicContact CD1-CD1 3.85Å; I1272-F1279 HydrophobicContact CD1-CD2 4.1Å; I1272-F1279 HydrophobicContact CD1-CE1 3.59Å; I1272-F1279 HydrophobicContact CD1-CE2 3.85Å; I1272-F1279 HydrophobicContact CD1-CG 4.11Å; I1272-F1279 HydrophobicContact CD1-CZ 3.59Å; I1272-V1284 VanDerWaalsContact O-CG2 3.3Å; I1272-V1284 WeakPolarHBondContact O-CG2 3.24Å; I1272-Y1287 HydrophobicContact CD1-CD2 3.92Å; I1272-Y1287 HydrophobicContact CD1-CG 3.93Å; I1272-Y1287 HydrophobicContact CG1-CD1 3.77Å; I1272-Y1287 HydrophobicContact CG1-CD2 3.77Å; I1272-Y1287 HydrophobicContact CG1-CE1 4.19Å; I1272-Y1287 HydrophobicContact CG1-CE2 4.18Å; I1272-Y1287 HydrophobicContact CG1-CG 3.55Å; I1272-Y1287 HydrophobicContact CG2-CE1 4.48Å
1273	D	78.3	Confident	82.6	Confident	40 Å²	40	32 Å²	32	21%	0.214	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	28.7	178.4	53.2	12.9	0	0	0	114.6	R1216 K1217 V1271	R1216-D1273 WeakPolarHBondContact CD-OD2 3.43Å; R1216-D1273 IonicContact CZ-OD2 4Å; R1216-D1273 IonicContact NE-OD2 3.84Å; R1216-D1273 IonicContact NH1-OD2 3.49Å; R1216-D1273 PolarHBondContact NH1-OD2 2.63Å; K1217-D1273 PolarHBondContact N-OD1 3.09Å; V1271-D1273 WeakPolarHBondContact CG1-OD1 3.4Å
1274	D	70.3	Confident	82.4	Confident	6 Å²	6	32.1 Å²	32.1	3%	0.032	17%	0.174	C	C	.	.			trans	-95	88.5	169.5	-169.4	46.9	0	0	0	110.6	A1145 K1217 V1271 D1276	A1145-D1274 HydrophobicContact CB-CB 4.46Å; K1217-D1274 WeakPolarHBondContact CE-OD1 3.5Å; K1217-D1274 IonicContact NZ-OD1 3.69Å; K1217-D1274 PolarHBondContact NZ-OD1 2.95Å; V1271-D1274 HydrophobicContact CB-CB 4.35Å; V1271-D1274 HydrophobicContact CG1-CB 3.84Å; D1274-D1276 PolarHBondContact O-N 3.12Å
1275	N	65.7	Low	82.3	Confident	75 Å²	75	36.5 Å²	36.5	40%	0.401	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-21	-175.4	-68	-20.3	0	0	0	114.3	G1280 V1284	N1275-G1280 CarbonylContact O-C 3.56Å; N1275-G1280 WeakPolarHBondContact O-CA 3.17Å; N1275-V1284 VanDerWaalsContact OD1-CG2 3.31Å; N1275-V1284 WeakPolarHBondContact OD1-CG2 3.37Å
1276	D	66.4	Low	82.3	Confident	125 Å²	125	33.1 Å²	33.1	67%	0.668	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-10.5	-151.2	-51.3	-45.9	0	0	0	114.4	K1217 D1274	K1217-D1276 IonicContact NZ-OD2 3.66Å; D1274-D1276 PolarHBondContact O-N 3.12Å
1277	L	82.5	Confident	82.1	Confident	68 Å²	68	35.2 Å²	35.2	36%	0.356	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.7	-59.9	-171.3	-157.5	65.2	0	0	0	116.9	P1020 P1144 L1150	P1020-L1277 HydrophobicContact CG-CD2 4.01Å; P1144-L1277 HydrophobicContact CB-CD2 3.54Å; P1144-L1277 HydrophobicContact CG-CD2 3.7Å; L1150-L1277 HydrophobicContact CD1-CD2 3.45Å; L1150-L1277 VanDerWaalsContact CD1-CD2 3.45Å; L1150-L1277 HydrophobicContact CD1-CG 3.67Å
1278	F	90.7	Very high	81.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-56.2	178.5	-176.5	-89.6	0	0	0	112.7	N1146 L1149 L1150 R1153 A1187 H1188 A1191 G1280	N1146-F1278 HydrophobicContact CB-CB 3.9Å; L1149-F1278 HydrophobicContact CB-CD1 4.27Å; L1149-F1278 HydrophobicContact CB-CD2 3.53Å; L1149-F1278 HydrophobicContact CB-CE1 4.25Å; L1149-F1278 HydrophobicContact CB-CE2 3.5Å; L1149-F1278 VanDerWaalsContact CB-CE2 3.5Å; L1149-F1278 HydrophobicContact CB-CG 3.94Å; L1149-F1278 HydrophobicContact CB-CZ 3.88Å; L1149-F1278 HydrophobicContact CD1-CD1 3.89Å; L1149-F1278 HydrophobicContact CD1-CE1 3.93Å; L1149-F1278 HydrophobicContact CD1-CG 4.27Å; L1149-F1278 HydrophobicContact CD1-CZ 4.31Å; L1149-F1278 VanDerWaalsContact O-CE2 3.31Å; L1149-F1278 WeakPolarHBondContact O-CE2 3.18Å; L1150-F1278 HydrophobicContact CD2-CB 4.24Å; L1150-F1278 HydrophobicContact CD2-CD2 3.89Å; L1150-F1278 HydrophobicContact CG-CB 4.4Å; L1150-F1278 HydrophobicContact CG-CD2 4.16Å; R1153-F1278 HydrophobicContact CB-CE2 4.31Å; R1153-F1278 VanDerWaalsContact NH2-CD2 3.29Å; R1153-F1278 VanDerWaalsContact NH2-CE2 3.28Å; R1153-F1278 PolarHBondContact NH2-O 3.36Å; A1187-F1278 HydrophobicContact CB-CE1 4.05Å; H1188-F1278 AromaticContact CE1-CE2 3.86Å; H1188-F1278 AromaticContact CE1-CZ 3.78Å; H1188-F1278 AromaticContact ND1-CZ 3.66Å; A1191-F1278 HydrophobicContact CB-CD1 4.11Å; A1191-F1278 HydrophobicContact CB-CE1 3.64Å; A1191-F1278 HydrophobicContact CB-CZ 4.13Å; F1278-G1280 VanDerWaalsContact C-N 3.33Å; F1278-G1280 PolarHBondContact O-N 2.89Å
1279	F	87.8	Confident	81	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.018	24%	0.244	C	C	.	.	S	Bend	trans	-76.3	-22.7	-173.3	-75.4	-68.4	0	0	0	113.3	L1149 A1187 A1191 M1208 V1271 I1272 G1283	L1149-F1279 HydrophobicContact CD1-CE2 4.27Å; L1149-F1279 HydrophobicContact CD1-CZ 4.13Å; A1187-F1279 HydrophobicContact CB-CE1 3.94Å; A1187-F1279 HydrophobicContact CB-CZ 3.81Å; A1191-F1279 HydrophobicContact CB-CD1 4.33Å; M1208-F1279 HydrophobicContact CE-CZ 4.06Å; V1271-F1279 WeakPolarHBondContact O-CD2 3.26Å; V1271-F1279 WeakPolarHBondContact O-CE2 3.23Å; I1272-F1279 HydrophobicContact CD1-CD1 3.85Å; I1272-F1279 HydrophobicContact CD1-CD2 4.1Å; I1272-F1279 HydrophobicContact CD1-CE1 3.59Å; I1272-F1279 HydrophobicContact CD1-CE2 3.85Å; I1272-F1279 HydrophobicContact CD1-CG 4.11Å; I1272-F1279 HydrophobicContact CD1-CZ 3.59Å; F1279-G1283 WeakPolarHBondContact O-CA 3.5Å; F1279-G1283 PolarHBondContact O-N 3.21Å
1280	G	79.5	Confident	80.2	Confident	13 Å²	13	50.3 Å²	50.3	13%	0.134	26%	0.255	C	S	.	.	H	α-helix	trans	66.7	175.9	-174.9	0	0	0	0	0	112.7	N1275 F1278 K1282 G1283	N1275-G1280 CarbonylContact O-C 3.56Å; N1275-G1280 WeakPolarHBondContact O-CA 3.17Å; F1278-G1280 VanDerWaalsContact C-N 3.33Å; F1278-G1280 PolarHBondContact O-N 2.89Å; G1280-K1282 PolarHBondContact O-N 3Å; G1280-K1282 VanDerWaalsContact O-N 3.1Å; G1280-G1283 PolarHBondContact O-N 2.82Å
1281	P	74.5	Confident	79.4	Confident	117 Å²	117	51 Å²	51	76%	0.76	26%	0.259	S	S	*	.	H	α-helix	trans	-63.4	-21.1	-176.5	24.6	-34.7	0	0	0	113.7
1282	K	79.9	Confident	78.8	Confident	97 Å²	97	54.6 Å²	54.6	42%	0.422	28%	0.281	S	S	.	.	H	α-helix	trans	-97.5	-18.6	177.9	-68.8	177.4	179.2	174.9	0	114.8	E1192 G1280 V1284 Q1285 N1286	E1192-K1282 HydrophobicContact CG-CD 4.37Å; E1192-K1282 WeakPolarHBondContact OE1-CD 3.48Å; E1192-K1282 IonicContact OE1-NZ 2.98Å; E1192-K1282 PolarHBondContact OE1-NZ 3.21Å; E1192-K1282 VanDerWaalsContact OE2-CD 3.29Å; E1192-K1282 WeakPolarHBondContact OE2-CD 3.34Å; E1192-K1282 WeakPolarHBondContact OE2-CE 3.45Å; E1192-K1282 IonicContact OE2-NZ 2.79Å; E1192-K1282 PolarHBondContact OE2-NZ 3.41Å; G1280-K1282 PolarHBondContact O-N 3Å; G1280-K1282 VanDerWaalsContact O-N 3.1Å; K1282-V1284 VanDerWaalsContact C-N 3.26Å; K1282-V1284 PolarHBondContact O-N 3.42Å; K1282-Q1285 CarbonylContact O-C 3.57Å; K1282-Q1285 WeakPolarHBondContact O-CA 3.48Å; K1282-Q1285 VanDerWaalsContact O-CB 3.27Å; K1282-Q1285 WeakPolarHBondContact O-CB 3.03Å; K1282-Q1285 PolarHBondContact O-N 3.24Å; K1282-N1286 PolarHBondContact O-N 2.94Å
1283	G	80.5	Confident	79	Confident	1 Å²	1	56 Å²	56	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-62.2	-35.1	-175	0	0	0	0	0	112.7	F1279 G1280 Q1285 N1286 Y1287	F1279-G1283 WeakPolarHBondContact O-CA 3.5Å; F1279-G1283 PolarHBondContact O-N 3.21Å; G1280-G1283 PolarHBondContact O-N 2.82Å; G1283-Q1285 VanDerWaalsContact C-N 3.29Å; G1283-Q1285 PolarHBondContact O-N 3.35Å; G1283-N1286 PolarHBondContact O-N 3.32Å; G1283-Y1287 WeakPolarHBondContact O-CB 3.4Å; G1283-Y1287 PolarHBondContact O-N 3.41Å
1284	V	78.7	Confident	79.4	Confident	17 Å²	17	58.6 Å²	58.6	10%	0.103	30%	0.304	C	S	.	.	H	α-helix	trans	-60.8	-36.7	169.5	179.5	0	0	0	0	112.1	I1272 N1275 K1282 R1288	I1272-V1284 VanDerWaalsContact O-CG2 3.3Å; I1272-V1284 WeakPolarHBondContact O-CG2 3.24Å; N1275-V1284 VanDerWaalsContact OD1-CG2 3.31Å; N1275-V1284 WeakPolarHBondContact OD1-CG2 3.37Å; K1282-V1284 VanDerWaalsContact C-N 3.26Å; K1282-V1284 PolarHBondContact O-N 3.42Å; V1284-R1288 WeakPolarHBondContact O-CB 3.22Å; V1284-R1288 VanDerWaalsContact O-CG 3.24Å; V1284-R1288 WeakPolarHBondContact O-CG 3.14Å; V1284-R1288 PolarHBondContact O-N 3.01Å; V1284-R1288 VanDerWaalsContact O-N 3.13Å
1285	Q	81.8	Confident	80.4	Confident	94 Å²	94	58.9 Å²	58.9	44%	0.439	31%	0.306	S	S	.	.	H	α-helix	trans	-71.5	-47.3	176.5	-175.5	179.8	-12.1	0	0	111	K1282 G1283 Y1287 R1288 Q1289	K1282-Q1285 CarbonylContact O-C 3.57Å; K1282-Q1285 WeakPolarHBondContact O-CA 3.48Å; K1282-Q1285 VanDerWaalsContact O-CB 3.27Å; K1282-Q1285 WeakPolarHBondContact O-CB 3.03Å; K1282-Q1285 PolarHBondContact O-N 3.24Å; G1283-Q1285 VanDerWaalsContact C-N 3.29Å; G1283-Q1285 PolarHBondContact O-N 3.35Å; Q1285-Y1287 VanDerWaalsContact C-N 3.27Å; Q1285-Y1287 PolarHBondContact O-N 3.13Å; Q1285-R1288 PolarHBondContact O-N 3.31Å; Q1285-R1288 VanDerWaalsContact O-N 3.08Å; Q1285-Q1289 HydrophobicContact CG-CG 4.19Å; Q1285-Q1289 VanDerWaalsContact CG-OE1 3.24Å; Q1285-Q1289 WeakPolarHBondContact O-CB 3.46Å; Q1285-Q1289 PolarHBondContact O-N 2.99Å
1286	N	83.8	Confident	81.8	Confident	10 Å²	10	56.9 Å²	56.9	5%	0.053	30%	0.297	C	S	.	.	H	α-helix	trans	-58.6	-38.1	175.6	-69.6	-22.4	0	0	0	111.5	Y1190 K1282 G1283 G1290 T1292	Y1190-N1286 HydrophobicContact CD1-CB 4.08Å; Y1190-N1286 PolarHBondContact O-ND2 3.46Å; K1282-N1286 PolarHBondContact O-N 2.94Å; G1283-N1286 PolarHBondContact O-N 3.32Å; N1286-G1290 CarbonylContact O-C 3.54Å; N1286-G1290 VanDerWaalsContact O-CA 3.27Å; N1286-G1290 WeakPolarHBondContact O-CA 3.48Å; N1286-G1290 PolarHBondContact O-N 3.17Å; N1286-T1292 PolarHBondContact OD1-OG1 2.78Å
1287	Y	82.3	Confident	83.1	Confident	62 Å²	62	51 Å²	51	24%	0.243	27%	0.265	C	S	.	.	H	α-helix	trans	-64.9	-42.3	173.1	180	-100.8	0	0	0	112.9	Y1190 M1208 I1272 G1283 Q1285	Y1190-Y1287 HydrophobicContact CD2-CD2 4.41Å; Y1190-Y1287 HydrophobicContact CE1-CD2 4.29Å; Y1190-Y1287 HydrophobicContact CE2-CD2 4.04Å; Y1190-Y1287 AromaticContact CZ-CD2 3.97Å; M1208-Y1287 HydrophobicContact CB-CE2 4.08Å; I1272-Y1287 HydrophobicContact CD1-CD2 3.92Å; I1272-Y1287 HydrophobicContact CD1-CG 3.93Å; I1272-Y1287 HydrophobicContact CG1-CD1 3.77Å; I1272-Y1287 HydrophobicContact CG1-CD2 3.77Å; I1272-Y1287 HydrophobicContact CG1-CE1 4.19Å; I1272-Y1287 HydrophobicContact CG1-CE2 4.18Å; I1272-Y1287 HydrophobicContact CG1-CG 3.55Å; I1272-Y1287 HydrophobicContact CG2-CE1 4.48Å; G1283-Y1287 WeakPolarHBondContact O-CB 3.4Å; G1283-Y1287 PolarHBondContact O-N 3.41Å; Q1285-Y1287 VanDerWaalsContact C-N 3.27Å; Q1285-Y1287 PolarHBondContact O-N 3.13Å
1288	R	80.3	Confident	83.7	Confident	177 Å²	177	48.5 Å²	48.5	67%	0.668	25%	0.252	S	S	*	.	H	α-helix	trans	-78.8	-30	-178.5	-70.8	173.3	-174.7	-178.2	3.9	114.5	V1284 Q1285	V1284-R1288 WeakPolarHBondContact O-CB 3.22Å; V1284-R1288 VanDerWaalsContact O-CG 3.24Å; V1284-R1288 WeakPolarHBondContact O-CG 3.14Å; V1284-R1288 PolarHBondContact O-N 3.01Å; V1284-R1288 VanDerWaalsContact O-N 3.13Å; Q1285-R1288 PolarHBondContact O-N 3.31Å; Q1285-R1288 VanDerWaalsContact O-N 3.08Å
1289	Q	78.6	Confident	83.9	Confident	125 Å²	125	48.5 Å²	48.5	58%	0.584	25%	0.252	S	S	*	.	H	α-helix	trans	-107.9	1.5	-173.9	-61.7	-179	-10.6	0	0	113	Q1285 K1388	Q1285-Q1289 HydrophobicContact CG-CG 4.19Å; Q1285-Q1289 VanDerWaalsContact CG-OE1 3.24Å; Q1285-Q1289 WeakPolarHBondContact O-CB 3.46Å; Q1285-Q1289 PolarHBondContact O-N 2.99Å; Q1289-K1388 PolarHBondContact O-NZ 2.82Å
1290	G	76.8	Confident	84.2	Confident	23 Å²	23	48.3 Å²	48.3	24%	0.237	25%	0.251	C	S	.	.			trans	80.3	155.4	-175.6	0	0	0	0	0	112.8	N1286 K1388	N1286-G1290 CarbonylContact O-C 3.54Å; N1286-G1290 VanDerWaalsContact O-CA 3.27Å; N1286-G1290 WeakPolarHBondContact O-CA 3.48Å; N1286-G1290 PolarHBondContact O-N 3.17Å; G1290-K1388 PolarHBondContact O-NZ 2.96Å
1291	I	78.3	Confident	84.9	Confident	15 Å²	15	49.6 Å²	49.6	8%	0.077	25%	0.253	C	S	.	.			trans	-56.8	145.9	-174.3	-68.7	159.4	0	0	0	111.9	M1186 L1189 Y1190 K1293 L1385 K1388	M1186-I1291 HydrophobicContact CE-CD1 3.43Å; M1186-I1291 VanDerWaalsContact CE-CD1 3.43Å; L1189-I1291 HydrophobicContact CB-CD1 3.7Å; L1189-I1291 HydrophobicContact CB-CG1 4.24Å; L1189-I1291 HydrophobicContact CB-CG2 4.41Å; L1189-I1291 HydrophobicContact CD1-CD1 4.23Å; L1189-I1291 HydrophobicContact CD2-CG2 4.46Å; L1189-I1291 HydrophobicContact CG-CD1 4.48Å; Y1190-I1291 HydrophobicContact CD1-CD1 4.41Å; Y1190-I1291 HydrophobicContact CD1-CG1 3.68Å; Y1190-I1291 HydrophobicContact CE1-CD1 3.93Å; Y1190-I1291 HydrophobicContact CE1-CG1 3.42Å; Y1190-I1291 VanDerWaalsContact CE1-CG1 3.42Å; I1291-K1293 HydrophobicContact CG2-CB 4.31Å; I1291-K1293 WeakPolarHBondContact CG2-O 3.34Å; I1291-L1385 HydrophobicContact CB-CD2 4.33Å; I1291-L1385 HydrophobicContact CD1-CD2 3.93Å; I1291-K1388 PolarHBondContact O-NZ 2.92Å
1292	T	76.6	Confident	85.9	Confident	75 Å²	75	44.1 Å²	44.1	46%	0.46	22%	0.217	S	C	.	.			trans	-115.8	-19	-177.4	37.7	0	0	0	0	112.9	W1195 N1286 V1294	W1195-T1292 WeakPolarHBondContact CH2-OG1 3.38Å; W1195-T1292 VanDerWaalsContact CZ2-OG1 3.24Å; W1195-T1292 WeakPolarHBondContact CZ2-OG1 3.18Å; N1286-T1292 PolarHBondContact OD1-OG1 2.78Å; T1292-V1294 PolarHBondContact O-N 3.47Å
1293	K	86.9	Confident	86.6	Confident	31 Å²	31	43.9 Å²	43.9	14%	0.135	22%	0.217	C	C	.	.			trans	-75.9	113.5	166.8	174.1	172	171.5	75.6	0	110.4	L1189 W1195 F1198 I1291 V1295	L1189-K1293 HydrophobicContact CD2-CD 4.27Å; L1189-K1293 HydrophobicContact CD2-CG 4.46Å; W1195-K1293 HydrophobicContact CB-CD 3.82Å; W1195-K1293 VanDerWaalsContact CD1-CD 3.48Å; W1195-K1293 HydrophobicContact CD2-CB 3.89Å; W1195-K1293 HydrophobicContact CD2-CD 4.24Å; W1195-K1293 HydrophobicContact CG-CB 4.12Å; W1195-K1293 HydrophobicContact CG-CD 3.58Å; W1195-K1293 HydrophobicContact CG-CG 4.33Å; W1195-K1293 HydrophobicContact CZ2-CB 4.08Å; W1195-K1293 PolarHBondContact O-NZ 2.99Å; F1198-K1293 HydrophobicContact CE1-CD 4.4Å; F1198-K1293 HydrophobicContact CE2-CD 4.05Å; F1198-K1293 HydrophobicContact CZ-CD 3.79Å; F1198-K1293 VanDerWaalsContact CZ-CE 3.41Å; F1198-K1293 WeakPolarHBondContact O-CE 3.32Å; F1198-K1293 PolarHBondContact O-NZ 2.69Å; I1291-K1293 HydrophobicContact CG2-CB 4.31Å; I1291-K1293 WeakPolarHBondContact CG2-O 3.34Å; K1293-V1295 HydrophobicContact CD-CG1 4.34Å; K1293-V1295 VanDerWaalsContact CE-CG1 3.47Å; K1293-V1295 HydrophobicContact CG-CG1 4.04Å; K1293-V1295 HydrophobicContact CG-CG2 4.31Å
1294	V	86	Confident	87.2	Confident	95 Å²	95	45.6 Å²	45.6	58%	0.576	23%	0.226	S	C	*	.			trans	-86.2	124	168.8	-176	0	0	0	0	108.7	T1292 N1389	T1292-V1294 PolarHBondContact O-N 3.47Å; V1294-N1389 HydrophobicContact CG1-CB 4.48Å
1295	V	91.7	Very high	87.9	Confident	13 Å²	13	44.9 Å²	44.9	8%	0.079	22%	0.222	C	C	.	.			trans	-155.1	157	173.1	-76.3	0	0	0	0	107.9	L1189 H1199 K1293 I1297 N1389	L1189-V1295 HydrophobicContact CD2-CG2 3.92Å; H1199-V1295 WeakPolarHBondContact O-CB 3.41Å; H1199-V1295 VanDerWaalsContact O-CG1 3.23Å; H1199-V1295 WeakPolarHBondContact O-CG1 3.44Å; K1293-V1295 HydrophobicContact CD-CG1 4.34Å; K1293-V1295 VanDerWaalsContact CE-CG1 3.47Å; K1293-V1295 HydrophobicContact CG-CG1 4.04Å; K1293-V1295 HydrophobicContact CG-CG2 4.31Å; V1295-I1297 HydrophobicContact CG2-CG1 4.24Å; V1295-I1297 WeakPolarHBondContact O-CG1 3.19Å; V1295-I1297 PolarHBondContact O-N 3.15Å; V1295-N1389 PolarHBondContact O-ND2 3.26Å
1296	P	93.9	Very high	88.5	Confident	32 Å²	32	40.4 Å²	40.4	21%	0.208	20%	0.201	C	C	.	.			trans	-59.7	135.4	169.4	-24.5	34.3	0	0	0	112	R1200 A1201 D1391 F1452	R1200-P1296 WeakPolarHBondContact CA-O 3.48Å; R1200-P1296 HydrophobicContact CG-CB 4.06Å; R1200-P1296 HydrophobicContact CG-CG 4.08Å; A1201-P1296 PolarHBondContact N-O 2.86Å; P1296-D1391 WeakPolarHBondContact CA-O 3.16Å; P1296-D1391 HydrophobicContact CB-CB 4.05Å; P1296-D1391 HydrophobicContact CG-CB 4.15Å; P1296-F1452 HydrophobicContact CB-CE2 3.91Å; P1296-F1452 HydrophobicContact CB-CZ 4.04Å
1297	I	94.1	Very high	88.8	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128	-179.4	-55.1	178.9	0	0	0	109.9	L1189 A1201 V1203 V1295 L1299 L1385 D1391 V1392 Y1393	L1189-I1297 HydrophobicContact CD1-CD1 4.14Å; A1201-I1297 HydrophobicContact CB-CG1 4.3Å; A1201-I1297 WeakPolarHBondContact O-CA 3.3Å; V1203-I1297 HydrophobicContact CG2-CG2 4.5Å; V1295-I1297 HydrophobicContact CG2-CG1 4.24Å; V1295-I1297 WeakPolarHBondContact O-CG1 3.19Å; V1295-I1297 PolarHBondContact O-N 3.15Å; I1297-L1299 HydrophobicContact CG2-CD2 4.24Å; I1297-L1299 HydrophobicContact CG2-CG 4.12Å; I1297-L1385 HydrophobicContact CD1-CD1 3.7Å; I1297-L1385 HydrophobicContact CD1-CD2 3.84Å; I1297-L1385 HydrophobicContact CD1-CG 4.35Å; I1297-L1385 HydrophobicContact CG2-CD1 4.25Å; I1297-D1391 PolarHBondContact N-O 2.95Å; I1297-V1392 WeakPolarHBondContact O-CA 3.32Å; I1297-Y1393 PolarHBondContact O-N 3.33Å
1298	L	94.6	Very high	89.2	Confident	16 Å²	16	38.1 Å²	38.1	8%	0.084	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	115.8	168.7	179.2	63.5	0	0	0	109.8	A1201 I1202 V1203 F1395 F1452	A1201-L1298 PolarHBondContact O-N 2.81Å; I1202-L1298 CarbonylContact C-O 3.04Å; I1202-L1298 WeakPolarHBondContact CA-O 3.19Å; I1202-L1298 HydrophobicContact CG1-CB 4.29Å; I1202-L1298 HydrophobicContact CG2-CB 4.45Å; I1202-L1298 HydrophobicContact CG2-CD2 4.39Å; V1203-L1298 PolarHBondContact N-O 3.04Å; L1298-F1395 HydrophobicContact CD1-CD1 3.98Å; L1298-F1395 HydrophobicContact CD2-CD1 4.41Å; L1298-F1395 HydrophobicContact CD2-CE1 4.44Å; L1298-F1395 HydrophobicContact CG-CD1 4.13Å; L1298-F1395 HydrophobicContact CG-CE1 4.35Å; L1298-F1452 HydrophobicContact CB-CD1 3.99Å; L1298-F1452 HydrophobicContact CB-CD2 4.07Å; L1298-F1452 HydrophobicContact CB-CE1 3.78Å; L1298-F1452 HydrophobicContact CB-CE2 3.86Å; L1298-F1452 HydrophobicContact CB-CG 4.13Å; L1298-F1452 HydrophobicContact CB-CZ 3.71Å; L1298-F1452 HydrophobicContact CD2-CB 4.47Å; L1298-F1452 HydrophobicContact CD2-CD1 4.28Å; L1298-F1452 HydrophobicContact CD2-CG 4.25Å
1299	L	94.6	Very high	89.6	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	142.1	175.5	-64	162	0	0	0	109.9	V1203 I1297 V1378 L1381 A1382 L1385 V1392 Y1393 V1394 F1395	V1203-L1299 HydrophobicContact CB-CD2 3.83Å; V1203-L1299 HydrophobicContact CG1-CD2 3.89Å; V1203-L1299 CarbonylContact O-C 3.55Å; V1203-L1299 WeakPolarHBondContact O-CA 3.43Å; I1297-L1299 HydrophobicContact CG2-CD2 4.24Å; I1297-L1299 HydrophobicContact CG2-CG 4.12Å; L1299-V1378 HydrophobicContact CB-CG1 4.33Å; L1299-L1381 HydrophobicContact CD2-CD2 3.77Å; L1299-L1381 HydrophobicContact CD2-CG 4.18Å; L1299-A1382 VanDerWaalsContact CD1-CA 3.46Å; L1299-A1382 HydrophobicContact CD1-CB 3.53Å; L1299-L1385 HydrophobicContact CD1-CD1 4.25Å; L1299-V1392 HydrophobicContact CD1-CG1 3.91Å; L1299-Y1393 PolarHBondContact N-O 2.87Å; L1299-V1394 HydrophobicContact CB-CG1 4.39Å; L1299-V1394 HydrophobicContact CB-CG2 4.28Å; L1299-V1394 HydrophobicContact CD1-CG2 4.26Å; L1299-V1394 CarbonylContact O-C 3.58Å; L1299-V1394 WeakPolarHBondContact O-CA 3.49Å; L1299-F1395 VanDerWaalsContact O-CD1 3.28Å; L1299-F1395 WeakPolarHBondContact O-CD1 3.35Å; L1299-F1395 PolarHBondContact O-N 3.14Å
1300	G	94	Very high	90.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146	176.3	0	0	0	0	0	112.3	V1203 S1205 F1395	V1203-G1300 PolarHBondContact O-N 3.12Å; S1205-G1300 PolarHBondContact N-O 3.12Å; G1300-F1395 VanDerWaalsContact CA-CE1 3.47Å
1301	Y	95.1	Very high	90.5	Very high	41 Å²	41	24.1 Å²	24.1	16%	0.161	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	156.4	165.6	63.7	-84.6	0	0	0	110.4	E1305 T1375 V1378 I1379 V1394 F1395 Y1396 F1397	Y1301-E1305 WeakPolarHBondContact CA-OE1 3.39Å; Y1301-T1375 HydrophobicContact CD2-CG2 3.59Å; Y1301-T1375 HydrophobicContact CE2-CG2 3.53Å; Y1301-T1375 HydrophobicContact CG-CG2 4.38Å; Y1301-V1378 HydrophobicContact CD1-CG1 3.88Å; Y1301-I1379 HydrophobicContact CE1-CG1 4.24Å; Y1301-V1394 HydrophobicContact CD1-CG1 4.34Å; Y1301-V1394 HydrophobicContact CE1-CG1 3.85Å; Y1301-F1395 PolarHBondContact N-O 3Å; Y1301-Y1396 AromaticContact CD2-CD2 3.75Å; Y1301-Y1396 HydrophobicContact CD2-CD2 3.75Å; Y1301-Y1396 HydrophobicContact CD2-CE2 4.15Å; Y1301-Y1396 AromaticContact CE2-CD2 3.31Å; Y1301-Y1396 HydrophobicContact CE2-CD2 3.31Å; Y1301-Y1396 AromaticContact CE2-CE2 3.71Å; Y1301-Y1396 HydrophobicContact CE2-CE2 3.71Å; Y1301-Y1396 HydrophobicContact CE2-CG 4.33Å; Y1301-Y1396 AromaticContact CZ-CD2 3.92Å; Y1301-Y1396 WeakPolarHBondContact O-CA 3.49Å; Y1301-F1397 PolarHBondContact O-N 2.89Å
1302	N	95.2	Very high	90.5	Very high	2 Å²	2	24 Å²	24	1%	0.011	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	166.8	-176.4	-67.1	-82.5	0	0	0	111.7	S1205 E1305 F1397 A1412 E1417	S1205-N1302 PolarHBondContact OG-ND2 3.11Å; N1302-E1305 HydrophobicContact CB-CG 4.21Å; N1302-E1305 PolarHBondContact N-OE1 2.87Å; N1302-E1305 PolarHBondContact ND2-OE1 3.1Å; N1302-F1397 CarbonylContact C-O 3.55Å; N1302-F1397 WeakPolarHBondContact CA-O 3.27Å; N1302-F1397 WeakPolarHBondContact OD1-CD1 3.42Å; N1302-A1412 WeakPolarHBondContact CB-O 3.43Å; N1302-E1417 PolarHBondContact ND2-OE2 2.85Å; N1302-E1417 PolarHBondContact OD1-OE2 2.87Å
1303	E	94.4	Very high	90.9	Very high	92 Å²	92	21.9 Å²	21.9	43%	0.43	11%	0.111	S	C	.	.	S	Bend	trans	-72.8	-42.8	177.4	-179.9	156.9	-119.1	0	0	112.5	Y1396 F1397 N1398 A1412	E1303-Y1396 HydrophobicContact CB-CE2 4.03Å; E1303-Y1396 VanDerWaalsContact CG-OH 3.25Å; E1303-Y1396 WeakPolarHBondContact CG-OH 3.43Å; E1303-Y1396 PolarHBondContact OE1-OH 3.22Å; E1303-F1397 PolarHBondContact N-O 2.96Å; E1303-N1398 HydrophobicContact CB-CB 4.1Å; E1303-N1398 VanDerWaalsContact OE2-CB 3.26Å; E1303-N1398 WeakPolarHBondContact OE2-CB 3.39Å; E1303-A1412 HydrophobicContact CB-CB 4.44Å
1304	D	94	Very high	90.9	Very high	37 Å²	37	20.9 Å²	20.9	20%	0.198	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-112.1	37.6	-171	-55.4	-90.3	0	0	0	112.5	G1306 S1307 M1410 G1411 A1412 M1413	D1304-G1306 PolarHBondContact O-N 3.13Å; D1304-S1307 WeakPolarHBondContact O-CB 3.49Å; D1304-S1307 PolarHBondContact O-N 3.16Å; D1304-S1307 PolarHBondContact O-OG 3.27Å; D1304-S1307 VanDerWaalsContact O-OG 3.08Å; D1304-M1410 VanDerWaalsContact CB-O 3.3Å; D1304-M1410 WeakPolarHBondContact CB-O 3.25Å; D1304-G1411 VanDerWaalsContact OD2-CA 3.25Å; D1304-G1411 WeakPolarHBondContact OD2-CA 3.42Å; D1304-A1412 WeakPolarHBondContact CA-O 3.19Å; D1304-A1412 WeakPolarHBondContact CB-O 3.3Å; D1304-A1412 PolarHBondContact N-O 3.32Å; D1304-A1412 PolarHBondContact OD2-N 2.77Å; D1304-M1413 WeakPolarHBondContact O-CA 3.16Å
1305	E	94	Very high	90.7	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.9	-41.8	-177.4	-71.4	-73.5	178.7	0	0	113.8	S1205 Y1301 N1302 W1309 F1374 H1414	S1205-E1305 VanDerWaalsContact CB-OE1 3.31Å; S1205-E1305 WeakPolarHBondContact CB-OE1 3.25Å; S1205-E1305 PolarHBondContact OG-OE1 3.24Å; S1205-E1305 PolarHBondContact OG-OE2 2.77Å; Y1301-E1305 WeakPolarHBondContact CA-OE1 3.39Å; N1302-E1305 HydrophobicContact CB-CG 4.21Å; N1302-E1305 PolarHBondContact N-OE1 2.87Å; N1302-E1305 PolarHBondContact ND2-OE1 3.1Å; E1305-W1309 VanDerWaalsContact O-CD1 3.28Å; E1305-F1374 HydrophobicContact CB-CB 3.84Å; E1305-F1374 HydrophobicContact CB-CD2 4.19Å; E1305-F1374 HydrophobicContact CB-CG 4.26Å; E1305-F1374 HydrophobicContact CG-CB 3.86Å; E1305-H1414 IonicContact OE2-CE1 3.82Å; E1305-H1414 IonicContact OE2-CG 2.71Å; E1305-H1414 IonicContact OE2-ND1 3.35Å; E1305-H1414 PolarHBondContact OE2-ND1 3.45Å
1306	G	92.7	Very high	90.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-21.1	-178.9	0	0	0	0	0	115.4	D1304 Y1308 W1309 L1310	D1304-G1306 PolarHBondContact O-N 3.13Å; G1306-Y1308 VanDerWaalsContact C-N 3.34Å; G1306-Y1308 PolarHBondContact O-N 3.13Å; G1306-W1309 PolarHBondContact O-N 3.42Å; G1306-W1309 VanDerWaalsContact O-N 3.08Å; G1306-L1310 PolarHBondContact O-N 2.84Å
1307	S	91.6	Very high	89.8	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-38.6	-168.9	79	0	0	0	0	112	D1304 W1309 L1310 P1311 S1366 M1410 M1413	D1304-S1307 WeakPolarHBondContact O-CB 3.49Å; D1304-S1307 PolarHBondContact O-N 3.16Å; D1304-S1307 PolarHBondContact O-OG 3.27Å; D1304-S1307 VanDerWaalsContact O-OG 3.08Å; S1307-W1309 VanDerWaalsContact C-N 3.29Å; S1307-W1309 PolarHBondContact O-N 3.03Å; S1307-L1310 PolarHBondContact O-N 3.1Å; S1307-P1311 WeakPolarHBondContact O-CD 3.22Å; S1307-S1366 WeakPolarHBondContact CA-OG 3.44Å; S1307-S1366 WeakPolarHBondContact CB-OG 3.34Å; S1307-S1366 PolarHBondContact N-OG 2.81Å; S1307-M1410 WeakPolarHBondContact O-CE 3.43Å; S1307-M1410 PolarHBondContact OG-O 3.2Å; S1307-M1413 VanDerWaalsContact OG-CB 3.23Å; S1307-M1413 WeakPolarHBondContact OG-CB 3.39Å
1308	Y	89	Confident	89.5	Confident	24 Å²	24	23.3 Å²	23.3	9%	0.094	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-39.3	174.6	178	-106.6	0	0	0	112.5	G1306 L1310 P1311 V1312 W1406 M1413 H1414	G1306-Y1308 VanDerWaalsContact C-N 3.34Å; G1306-Y1308 PolarHBondContact O-N 3.13Å; Y1308-L1310 VanDerWaalsContact C-N 3.34Å; Y1308-L1310 PolarHBondContact O-N 3.03Å; Y1308-P1311 VanDerWaalsContact O-CD 3.32Å; Y1308-P1311 WeakPolarHBondContact O-CD 3.33Å; Y1308-P1311 WeakPolarHBondContact O-CG 3.49Å; Y1308-V1312 HydrophobicContact CD1-CG2 4.36Å; Y1308-V1312 HydrophobicContact CE1-CG2 4.03Å; Y1308-V1312 HydrophobicContact CE2-CG2 4.26Å; Y1308-V1312 WeakPolarHBondContact O-CG2 3.4Å; Y1308-W1406 HydrophobicContact CD2-CH2 4.39Å; Y1308-W1406 HydrophobicContact CD2-CZ2 4.09Å; Y1308-W1406 HydrophobicContact CE2-CH2 4.15Å; Y1308-W1406 AromaticContact CE2-CZ2 3.77Å; Y1308-W1406 HydrophobicContact CE2-CZ2 3.77Å; Y1308-M1413 HydrophobicContact CD2-SD 3.88Å; Y1308-M1413 HydrophobicContact CG-SD 4.42Å; Y1308-H1414 HydrophobicContact CD1-CB 4.39Å; Y1308-H1414 HydrophobicContact CG-CB 4.5Å
1309	W	88.8	Confident	88.5	Confident	22 Å²	22	25.1 Å²	25.1	8%	0.083	12%	0.123	C	C	.	.	H	α-helix	trans	-79.3	-16.4	-173.6	-60.5	106.8	0	0	0	113.6	Y1263 L1264 F1266 E1305 G1306 S1307 V1312 Y1313 V1369 F1374 H1414	Y1263-W1309 WeakPolarHBondContact OH-CB 3.46Å; Y1263-W1309 PolarHBondContact OH-O 2.83Å; L1264-W1309 HydrophobicContact CD1-CD2 4.4Å; L1264-W1309 HydrophobicContact CD1-CG 4.25Å; L1264-W1309 HydrophobicContact CD2-CD2 3.78Å; L1264-W1309 HydrophobicContact CD2-CE3 3.68Å; L1264-W1309 HydrophobicContact CD2-CG 4.45Å; L1264-W1309 HydrophobicContact CD2-CH2 3.94Å; L1264-W1309 HydrophobicContact CD2-CZ2 4.05Å; L1264-W1309 HydrophobicContact CD2-CZ3 3.76Å; L1264-W1309 HydrophobicContact CG-CD2 4.46Å; F1266-W1309 HydrophobicContact CZ-CH2 4.15Å; F1266-W1309 HydrophobicContact CZ-CZ3 4.39Å; E1305-W1309 VanDerWaalsContact O-CD1 3.28Å; G1306-W1309 PolarHBondContact O-N 3.42Å; G1306-W1309 VanDerWaalsContact O-N 3.08Å; S1307-W1309 VanDerWaalsContact C-N 3.29Å; S1307-W1309 PolarHBondContact O-N 3.03Å; W1309-V1312 HydrophobicContact CE3-CB 4.41Å; W1309-V1312 HydrophobicContact CE3-CG1 3.94Å; W1309-V1312 HydrophobicContact CZ3-CG1 4.19Å; W1309-Y1313 HydrophobicContact CE3-CD2 4.2Å; W1309-Y1313 AromaticContact CE3-CE2 3.75Å; W1309-Y1313 HydrophobicContact CE3-CE2 3.75Å; W1309-Y1313 HydrophobicContact CZ3-CE2 4.2Å; W1309-Y1313 PolarHBondContact O-N 3.11Å; W1309-V1369 HydrophobicContact CB-CG1 4.22Å; W1309-F1374 AromaticContact CD1-CE2 3.47Å; W1309-F1374 VanDerWaalsContact CD1-CE2 3.47Å; W1309-F1374 AromaticContact CD1-CZ 3.96Å; W1309-F1374 AromaticContact CE2-CZ 3.66Å; W1309-F1374 HydrophobicContact CG-CE2 4.4Å; W1309-F1374 AromaticContact CZ2-CZ 3.95Å; W1309-F1374 HydrophobicContact CZ2-CZ 3.95Å; W1309-F1374 AromaticContact NE1-CE2 3.18Å; W1309-F1374 AromaticContact NE1-CZ 3.21Å; W1309-H1414 AromaticContact CE2-CD2 3.92Å; W1309-H1414 AromaticContact CZ2-CD2 3.54Å; W1309-H1414 AromaticContact CZ2-NE2 3.68Å; W1309-H1414 AromaticContact NE1-CD2 3.79Å; W1309-H1414 AromaticContact NE1-CG 3.75Å
1310	L	89.2	Confident	87.3	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.3	-56.4	176	-60.5	-173	0	0	0	113.2	G1306 S1307 Y1308 V1312 Y1314 F1318 L1365 V1369 W1409	G1306-L1310 PolarHBondContact O-N 2.84Å; S1307-L1310 PolarHBondContact O-N 3.1Å; Y1308-L1310 VanDerWaalsContact C-N 3.34Å; Y1308-L1310 PolarHBondContact O-N 3.03Å; L1310-V1312 VanDerWaalsContact C-N 3.3Å; L1310-V1312 PolarHBondContact O-N 2.97Å; L1310-Y1314 WeakPolarHBondContact O-CA 3.32Å; L1310-Y1314 WeakPolarHBondContact O-CB 3.34Å; L1310-Y1314 PolarHBondContact O-N 2.7Å; L1310-F1318 HydrophobicContact CB-CB 4.49Å; L1310-F1318 HydrophobicContact CB-CD1 4.37Å; L1310-F1318 HydrophobicContact CB-CD2 3.69Å; L1310-F1318 HydrophobicContact CB-CE2 3.94Å; L1310-F1318 HydrophobicContact CB-CG 3.93Å; L1310-F1318 HydrophobicContact CB-CZ 4.4Å; L1310-F1318 HydrophobicContact CD1-CD1 4.42Å; L1310-F1318 HydrophobicContact CD1-CE1 4.13Å; L1310-F1318 HydrophobicContact CD1-CZ 4.18Å; L1310-F1318 HydrophobicContact CD2-CE2 4.43Å; L1310-L1365 HydrophobicContact CD2-CD2 3.8Å; L1310-L1365 HydrophobicContact CD2-CG 3.92Å; L1310-V1369 HydrophobicContact CD2-CG2 4.25Å; L1310-W1409 HydrophobicContact CB-CH2 4.49Å; L1310-W1409 HydrophobicContact CD1-CH2 4.33Å; L1310-W1409 HydrophobicContact CD1-CZ3 4.24Å
1311	P	84.9	Confident	86.2	Confident	9 Å²	9	35.7 Å²	35.7	6%	0.058	17%	0.168	C	C	.	.	H	α-helix	trans	-71.4	-20.7	176.4	29.8	-36.5	0	0	0	113.9	S1307 Y1308 P1315 F1318 W1406 M1410	S1307-P1311 WeakPolarHBondContact O-CD 3.22Å; Y1308-P1311 VanDerWaalsContact O-CD 3.32Å; Y1308-P1311 WeakPolarHBondContact O-CD 3.33Å; Y1308-P1311 WeakPolarHBondContact O-CG 3.49Å; P1311-P1315 WeakPolarHBondContact O-CA 3.22Å; P1311-P1315 WeakPolarHBondContact O-CB 3.4Å; P1311-F1318 HydrophobicContact CB-CB 4.18Å; P1311-F1318 WeakPolarHBondContact CB-O 3.43Å; P1311-W1406 HydrophobicContact CG-CZ3 4.04Å; P1311-M1410 HydrophobicContact CG-CE 3.84Å
1312	V	79.6	Confident	85	Confident	13 Å²	13	37 Å²	37	8%	0.079	18%	0.177	C	C	.	.	H	α-helix	trans	-73.3	-35.6	179	168.8	0	0	0	0	111.9	F1053 Y1308 W1309 L1310	F1053-V1312 WeakPolarHBondContact CA-O 3.38Å; F1053-V1312 HydrophobicContact CB-CG1 3.69Å; F1053-V1312 WeakPolarHBondContact CB-O 3.4Å; F1053-V1312 HydrophobicContact CG-CG1 4.47Å; Y1308-V1312 HydrophobicContact CD1-CG2 4.36Å; Y1308-V1312 HydrophobicContact CE1-CG2 4.03Å; Y1308-V1312 HydrophobicContact CE2-CG2 4.26Å; Y1308-V1312 WeakPolarHBondContact O-CG2 3.4Å; W1309-V1312 HydrophobicContact CE3-CB 4.41Å; W1309-V1312 HydrophobicContact CE3-CG1 3.94Å; W1309-V1312 HydrophobicContact CZ3-CG1 4.19Å; L1310-V1312 VanDerWaalsContact C-N 3.3Å; L1310-V1312 PolarHBondContact O-N 2.97Å
1313	Y	84.3	Confident	83.9	Confident	30 Å²	30	42.4 Å²	42.4	12%	0.118	21%	0.206	C	C	.	.	H	α-helix	trans	-106.3	-24.9	179.7	-81.1	-82.8	0	0	0	114.5	F1053 Y1263 L1264 W1309	F1053-Y1313 AromaticContact CD1-CD1 3.85Å; F1053-Y1313 HydrophobicContact CD1-CD1 3.85Å; F1053-Y1313 AromaticContact CD1-CE1 3.7Å; F1053-Y1313 HydrophobicContact CD1-CE1 3.7Å; F1053-Y1313 HydrophobicContact CD1-CG 4.47Å; F1053-Y1313 AromaticContact CE1-CD1 3.75Å; F1053-Y1313 HydrophobicContact CE1-CD1 3.75Å; F1053-Y1313 AromaticContact CE1-CE1 3.32Å; F1053-Y1313 HydrophobicContact CE1-CE1 3.32Å; F1053-Y1313 AromaticContact CZ-CE1 3.99Å; F1053-Y1313 HydrophobicContact CZ-CE1 3.99Å; Y1263-Y1313 AromaticContact CD2-CD1 3.92Å; Y1263-Y1313 HydrophobicContact CD2-CD1 3.92Å; Y1263-Y1313 HydrophobicContact CD2-CD2 4.06Å; Y1263-Y1313 AromaticContact CD2-CG 3.58Å; Y1263-Y1313 HydrophobicContact CD2-CG 3.58Å; Y1263-Y1313 HydrophobicContact CE2-CD1 4.37Å; Y1263-Y1313 AromaticContact CE2-CD2 3.78Å; Y1263-Y1313 HydrophobicContact CE2-CD2 3.78Å; Y1263-Y1313 AromaticContact CE2-CG 3.57Å; Y1263-Y1313 HydrophobicContact CE2-CG 3.57Å; Y1263-Y1313 HydrophobicContact CG-CD1 4.5Å; Y1263-Y1313 HydrophobicContact CG-CG 4.38Å; L1264-Y1313 WeakPolarHBondContact CA-OH 3.34Å; L1264-Y1313 HydrophobicContact CD2-CE2 3.96Å; L1264-Y1313 HydrophobicContact CG-CE2 3.92Å; L1264-Y1313 VanDerWaalsContact N-CZ 3.34Å; L1264-Y1313 PolarHBondContact N-OH 3.19Å; W1309-Y1313 HydrophobicContact CE3-CD2 4.2Å; W1309-Y1313 AromaticContact CE3-CE2 3.75Å; W1309-Y1313 HydrophobicContact CE3-CE2 3.75Å; W1309-Y1313 HydrophobicContact CZ3-CE2 4.2Å; W1309-Y1313 PolarHBondContact O-N 3.11Å
1314	Y	87.3	Confident	83.1	Confident	10 Å²	10	38.1 Å²	38.1	4%	0.039	19%	0.187	C	C	.	.			trans	-125.7	54.2	179.2	-48.9	-49.4	0	0	0	112.4	Y1263 L1310 E1316 V1317 F1318 L1334 K1337 S1338	Y1263-Y1314 HydrophobicContact CD2-CE1 4.06Å; Y1263-Y1314 AromaticContact CD2-CE2 3.88Å; Y1263-Y1314 HydrophobicContact CD2-CE2 3.88Å; Y1263-Y1314 AromaticContact CD2-CZ 3.42Å; Y1263-Y1314 VanDerWaalsContact CD2-CZ 3.42Å; Y1263-Y1314 WeakPolarHBondContact CD2-OH 3.37Å; Y1263-Y1314 HydrophobicContact CE2-CD2 4.12Å; Y1263-Y1314 HydrophobicContact CE2-CE1 4.26Å; Y1263-Y1314 AromaticContact CE2-CE2 3.39Å; Y1263-Y1314 HydrophobicContact CE2-CE2 3.39Å; Y1263-Y1314 AromaticContact CE2-CZ 3.46Å; Y1263-Y1314 VanDerWaalsContact CE2-CZ 3.46Å; Y1263-Y1314 WeakPolarHBondContact CE2-OH 3.19Å; L1310-Y1314 WeakPolarHBondContact O-CA 3.32Å; L1310-Y1314 WeakPolarHBondContact O-CB 3.34Å; L1310-Y1314 PolarHBondContact O-N 2.7Å; Y1314-E1316 VanDerWaalsContact CA-OE2 3.25Å; Y1314-E1316 WeakPolarHBondContact CA-OE2 3.31Å; Y1314-E1316 PolarHBondContact O-N 3.32Å; Y1314-E1316 VanDerWaalsContact O-N 3.12Å; Y1314-V1317 PolarHBondContact O-N 2.97Å; Y1314-F1318 HydrophobicContact CD2-CE2 4Å; Y1314-F1318 HydrophobicContact CG-CE2 4.44Å; Y1314-F1318 PolarHBondContact O-N 3.38Å; Y1314-L1334 HydrophobicContact CD1-CD2 3.88Å; Y1314-L1334 HydrophobicContact CD2-CD1 4.18Å; Y1314-L1334 HydrophobicContact CD2-CD2 3.77Å; Y1314-L1334 HydrophobicContact CD2-CG 4.41Å; Y1314-L1334 HydrophobicContact CE1-CD2 4.08Å; Y1314-L1334 HydrophobicContact CE2-CB 4.29Å; Y1314-L1334 HydrophobicContact CE2-CD2 3.92Å; Y1314-L1334 HydrophobicContact CE2-CG 4.49Å; Y1314-L1334 HydrophobicContact CG-CD2 3.73Å; Y1314-K1337 HydrophobicContact CD1-CD 4.21Å; Y1314-K1337 HydrophobicContact CE1-CB 4.05Å; Y1314-K1337 HydrophobicContact CE1-CD 3.55Å; Y1314-K1337 VanDerWaalsContact OH-CB 3.25Å; Y1314-K1337 WeakPolarHBondContact OH-CB 2.93Å; Y1314-S1338 PolarHBondContact OH-N 2.96Å; Y1314-S1338 PolarHBondContact OH-OG 2.68Å
1315	P	80.7	Confident	82.7	Confident	37 Å²	37	41.7 Å²	41.7	24%	0.24	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.5	-178.5	27.6	-35.9	0	0	0	113.8	C1056 P1311 V1317 F1318	C1056-P1315 HydrophobicContact CB-CB 3.51Å; C1056-P1315 HydrophobicContact CB-CG 4.12Å; C1056-P1315 VanDerWaalsContact SG-CB 3.58Å; P1311-P1315 WeakPolarHBondContact O-CA 3.22Å; P1311-P1315 WeakPolarHBondContact O-CB 3.4Å; P1315-V1317 VanDerWaalsContact C-N 3.25Å; P1315-F1318 WeakPolarHBondContact CA-O 3.04Å
1316	E	82.1	Confident	82.6	Confident	122 Å²	122	42.7 Å²	42.7	57%	0.57	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-16.8	172.6	80.9	-78.1	-164.5	0	0	113.2	Y1314 K1337	Y1314-E1316 VanDerWaalsContact CA-OE2 3.25Å; Y1314-E1316 WeakPolarHBondContact CA-OE2 3.31Å; Y1314-E1316 PolarHBondContact O-N 3.32Å; Y1314-E1316 VanDerWaalsContact O-N 3.12Å; E1316-K1337 IonicContact OE1-NZ 3.27Å; E1316-K1337 PolarHBondContact OE1-NZ 3.48Å
1317	V	86.1	Confident	82.6	Confident	34 Å²	34	47 Å²	47	21%	0.206	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-54.6	179.8	-173.8	0	0	0	0	111	Y1314 P1315 I1326 T1330 L1334	Y1314-V1317 PolarHBondContact O-N 2.97Å; P1315-V1317 VanDerWaalsContact C-N 3.25Å; V1317-I1326 HydrophobicContact CG1-CG2 3.4Å; V1317-I1326 VanDerWaalsContact CG1-CG2 3.4Å; V1317-T1330 HydrophobicContact CG1-CG2 4.02Å; V1317-L1334 HydrophobicContact CG1-CD1 4.25Å; V1317-L1334 HydrophobicContact CG2-CD1 4.45Å
1318	F	86.3	Confident	82.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.			trans	-105.9	122.5	-178.8	-41.4	-88.8	0	0	0	109.2	L1310 P1311 Y1314 P1315 G1324 I1326 L1334 R1362 L1365 W1409	L1310-F1318 HydrophobicContact CB-CB 4.49Å; L1310-F1318 HydrophobicContact CB-CD1 4.37Å; L1310-F1318 HydrophobicContact CB-CD2 3.69Å; L1310-F1318 HydrophobicContact CB-CE2 3.94Å; L1310-F1318 HydrophobicContact CB-CG 3.93Å; L1310-F1318 HydrophobicContact CB-CZ 4.4Å; L1310-F1318 HydrophobicContact CD1-CD1 4.42Å; L1310-F1318 HydrophobicContact CD1-CE1 4.13Å; L1310-F1318 HydrophobicContact CD1-CZ 4.18Å; L1310-F1318 HydrophobicContact CD2-CE2 4.43Å; P1311-F1318 HydrophobicContact CB-CB 4.18Å; P1311-F1318 WeakPolarHBondContact CB-O 3.43Å; Y1314-F1318 HydrophobicContact CD2-CE2 4Å; Y1314-F1318 HydrophobicContact CG-CE2 4.44Å; Y1314-F1318 PolarHBondContact O-N 3.38Å; P1315-F1318 WeakPolarHBondContact CA-O 3.04Å; F1318-G1324 VanDerWaalsContact CD1-O 3.29Å; F1318-G1324 WeakPolarHBondContact CD1-O 3.31Å; F1318-G1324 VanDerWaalsContact CE1-O 3.25Å; F1318-G1324 WeakPolarHBondContact CE1-O 3.5Å; F1318-I1326 HydrophobicContact CE1-CG2 3.71Å; F1318-I1326 HydrophobicContact CZ-CD1 4.25Å; F1318-I1326 HydrophobicContact CZ-CG2 3.87Å; F1318-L1334 HydrophobicContact CE2-CD1 3.56Å; F1318-L1334 HydrophobicContact CZ-CD1 3.53Å; F1318-R1362 HydrophobicContact CD1-CG 4.34Å; F1318-R1362 HydrophobicContact CE1-CG 3.99Å; F1318-L1365 HydrophobicContact CE2-CD2 4.4Å; F1318-L1365 HydrophobicContact CZ-CD2 3.88Å; F1318-W1409 HydrophobicContact CB-CZ2 4.36Å; F1318-W1409 HydrophobicContact CD1-CH2 4.31Å; F1318-W1409 HydrophobicContact CD1-CZ2 4.5Å
1319	N	73.5	Confident	82.7	Confident	54 Å²	54	53 Å²	53	29%	0.289	27%	0.269	S	S	.	.			trans	-137.3	156.5	175.2	63.6	81.4	0	0	0	110.6	K1321 N1322	N1319-K1321 PolarHBondContact O-N 2.78Å; N1319-K1321 WeakPolarHBondContact OD1-CA 3.37Å; N1319-K1321 WeakPolarHBondContact OD1-CB 3.3Å; N1319-K1321 PolarHBondContact OD1-N 3.47Å; N1319-K1321 VanDerWaalsContact OD1-N 3.13Å; N1319-N1322 PolarHBondContact N-OD1 3.47Å; N1319-N1322 PolarHBondContact ND2-ND2 2.82Å; N1319-N1322 VanDerWaalsContact ND2-ND2 3.13Å; N1319-N1322 PolarHBondContact ND2-OD1 2.72Å; N1319-N1322 PolarHBondContact O-N 3.22Å; N1319-N1322 PolarHBondContact O-OD1 2.91Å; N1319-N1322 PolarHBondContact OD1-N 3.04Å
1320	Y	70.6	Confident	82.9	Confident	62 Å²	62	53.9 Å²	53.9	24%	0.243	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	5.9	-176.6	65.5	-91.8	0	0	0	115	F1060	F1060-Y1320 HydrophobicContact CB-CD1 4.09Å; F1060-Y1320 HydrophobicContact CB-CD2 4.25Å; F1060-Y1320 HydrophobicContact CB-CE1 3.94Å; F1060-Y1320 HydrophobicContact CB-CE2 4.1Å; F1060-Y1320 HydrophobicContact CB-CG 4.25Å; F1060-Y1320 HydrophobicContact CD1-CD1 4.5Å; F1060-Y1320 HydrophobicContact CD1-CG 4.37Å; F1060-Y1320 HydrophobicContact CD2-CD1 4.48Å; F1060-Y1320 AromaticContact CD2-CD2 3.54Å; F1060-Y1320 HydrophobicContact CD2-CD2 3.54Å; F1060-Y1320 HydrophobicContact CD2-CE2 4.03Å; F1060-Y1320 AromaticContact CD2-CG 3.81Å; F1060-Y1320 HydrophobicContact CD2-CG 3.81Å; F1060-Y1320 HydrophobicContact CE2-CD2 4.14Å; F1060-Y1320 HydrophobicContact CE2-CG 4.28Å; F1060-Y1320 HydrophobicContact CG-CD1 4.1Å; F1060-Y1320 AromaticContact CG-CD2 3.98Å; F1060-Y1320 HydrophobicContact CG-CD2 3.98Å; F1060-Y1320 HydrophobicContact CG-CE1 4.44Å; F1060-Y1320 HydrophobicContact CG-CE2 4.31Å; F1060-Y1320 AromaticContact CG-CG 3.87Å; F1060-Y1320 HydrophobicContact CG-CG 3.87Å
1321	K	71.6	Confident	83.1	Confident	160 Å²	160	53.9 Å²	53.9	70%	0.696	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-1.2	179.8	-50.2	-178.9	-175.6	176.9	0	113.3	N1319	N1319-K1321 PolarHBondContact O-N 2.78Å; N1319-K1321 WeakPolarHBondContact OD1-CA 3.37Å; N1319-K1321 WeakPolarHBondContact OD1-CB 3.3Å; N1319-K1321 PolarHBondContact OD1-N 3.47Å; N1319-K1321 VanDerWaalsContact OD1-N 3.13Å
1322	N	68.9	Low	83.5	Confident	68 Å²	68	56.5 Å²	56.5	36%	0.364	29%	0.293	S	S	.	.	S	Bend	trans	-139.4	167.1	177	73	5	0	0	0	112	N1319 G1324 W1409	N1319-N1322 PolarHBondContact N-OD1 3.47Å; N1319-N1322 PolarHBondContact ND2-ND2 2.82Å; N1319-N1322 VanDerWaalsContact ND2-ND2 3.13Å; N1319-N1322 PolarHBondContact ND2-OD1 2.72Å; N1319-N1322 PolarHBondContact O-N 3.22Å; N1319-N1322 PolarHBondContact O-OD1 2.91Å; N1319-N1322 PolarHBondContact OD1-N 3.04Å; N1322-G1324 PolarHBondContact O-N 2.9Å; N1322-G1324 VanDerWaalsContact O-N 3.13Å; N1322-G1324 PolarHBondContact OD1-N 3.47Å; N1322-W1409 PolarHBondContact O-NE1 3.29Å
1323	D	72.4	Confident	84.2	Confident	115 Å²	115	61.7 Å²	61.7	62%	0.615	32%	0.315	S	S	*	.			trans	-74.1	2.6	-179.8	-53.6	-47.9	0	0	0	113.4	M1325 R1362 W1409	D1323-M1325 HydrophobicContact CB-CG 4Å; D1323-M1325 PolarHBondContact O-N 3.01Å; D1323-R1362 WeakPolarHBondContact O-CD 3.47Å; D1323-R1362 PolarHBondContact O-NH1 2.88Å; D1323-W1409 PolarHBondContact O-NE1 2.9Å
1324	G	76.6	Confident	84.6	Confident	3 Å²	3	60.5 Å²	60.5	3%	0.031	31%	0.31	C	S	.	.			trans	59.3	16.8	178.6	0	0	0	0	0	115.6	F1318 N1322 I1326	F1318-G1324 VanDerWaalsContact CD1-O 3.29Å; F1318-G1324 WeakPolarHBondContact CD1-O 3.31Å; F1318-G1324 VanDerWaalsContact CE1-O 3.25Å; F1318-G1324 WeakPolarHBondContact CE1-O 3.5Å; N1322-G1324 PolarHBondContact O-N 2.9Å; N1322-G1324 VanDerWaalsContact O-N 3.13Å; N1322-G1324 PolarHBondContact OD1-N 3.47Å; G1324-I1326 PolarHBondContact O-N 2.95Å
1325	M	87.4	Confident	85	Confident	112 Å²	112	60 Å²	60	55%	0.552	31%	0.308	S	S	*	.			trans	-65.7	123.2	-174.4	-68.5	-63.5	-69.4	0	0	111.6	D1323 N1360 R1362	D1323-M1325 HydrophobicContact CB-CG 4Å; D1323-M1325 PolarHBondContact O-N 3.01Å; M1325-N1360 HydrophobicContact CE-CB 3.88Å; M1325-R1362 PolarHBondContact SD-NH1 3.47Å; M1325-R1362 VanDerWaalsContact SD-NH1 3.41Å
1326	I	91.8	Very high	85.5	Confident	22 Å²	22	63.1 Å²	63.1	11%	0.113	32%	0.32	C	S	.	.			trans	-109.7	164.3	179.4	61.2	173.8	0	0	0	112	V1317 F1318 G1324 T1330 M1331 L1334 D1361 R1362 L1365	V1317-I1326 HydrophobicContact CG1-CG2 3.4Å; V1317-I1326 VanDerWaalsContact CG1-CG2 3.4Å; F1318-I1326 HydrophobicContact CE1-CG2 3.71Å; F1318-I1326 HydrophobicContact CZ-CD1 4.25Å; F1318-I1326 HydrophobicContact CZ-CG2 3.87Å; G1324-I1326 PolarHBondContact O-N 2.95Å; I1326-T1330 HydrophobicContact CB-CG2 3.84Å; I1326-T1330 HydrophobicContact CG2-CG2 3.61Å; I1326-M1331 HydrophobicContact CD1-CB 4.04Å; I1326-M1331 HydrophobicContact CD1-SD 3.92Å; I1326-L1334 HydrophobicContact CD1-CD1 4.35Å; I1326-D1361 HydrophobicContact CD1-CB 4.28Å; I1326-D1361 HydrophobicContact CG1-CB 3.8Å; I1326-R1362 HydrophobicContact CG1-CB 4.2Å; I1326-L1365 HydrophobicContact CD1-CB 4.43Å; I1326-L1365 HydrophobicContact CD1-CD2 4.08Å
1327	N	91.7	Very high	86	Confident	91 Å²	91	62.3 Å²	62.3	49%	0.487	31%	0.314	S	S	.	.			trans	-111.3	174.4	174.3	69.8	20.2	0	0	0	111.1	D1329 T1330 M1331 D1361	N1327-D1329 VanDerWaalsContact C-N 3.26Å; N1327-D1329 PolarHBondContact O-N 2.92Å; N1327-D1329 VanDerWaalsContact O-N 3.16Å; N1327-D1329 PolarHBondContact OD1-N 2.75Å; N1327-T1330 PolarHBondContact O-N 2.84Å; N1327-T1330 VanDerWaalsContact O-N 3.14Å; N1327-T1330 PolarHBondContact OD1-N 3.16Å; N1327-T1330 PolarHBondContact OD1-OG1 2.85Å; N1327-M1331 WeakPolarHBondContact O-CB 3.31Å; N1327-M1331 PolarHBondContact O-N 2.97Å; N1327-D1361 VanDerWaalsContact C-OD2 3.23Å
1328	S	90.2	Very high	86.2	Confident	48 Å²	48	60.7 Å²	60.7	34%	0.336	30%	0.304	S	S	.	.	H	α-helix	trans	-56.9	-34	-175.3	-169.8	0	0	0	0	114.9	T1332 R1355 D1361	S1328-T1332 WeakPolarHBondContact O-CB 3.46Å; S1328-T1332 PolarHBondContact O-N 3.01Å; S1328-T1332 PolarHBondContact O-OG1 2.82Å; S1328-R1355 VanDerWaalsContact CA-NH2 3.3Å; S1328-R1355 PolarHBondContact OG-NH1 3.33Å; S1328-R1355 PolarHBondContact OG-NH2 3.49Å; S1328-D1361 VanDerWaalsContact CA-OD2 3.27Å; S1328-D1361 WeakPolarHBondContact CA-OD2 3.15Å; S1328-D1361 PolarHBondContact N-OD2 3.43Å
1329	D	93.2	Very high	86.5	Confident	101 Å²	101	60.9 Å²	60.9	54%	0.54	31%	0.305	S	S	.	.	H	α-helix	trans	-72.8	-44.5	-180	-70.2	4.3	0	0	0	110.9	N1327 K1333	N1327-D1329 VanDerWaalsContact C-N 3.26Å; N1327-D1329 PolarHBondContact O-N 2.92Å; N1327-D1329 VanDerWaalsContact O-N 3.16Å; N1327-D1329 PolarHBondContact OD1-N 2.75Å; D1329-K1333 WeakPolarHBondContact O-CB 3.3Å; D1329-K1333 VanDerWaalsContact O-CD 3.26Å; D1329-K1333 WeakPolarHBondContact O-CD 3.47Å; D1329-K1333 WeakPolarHBondContact O-CG 3.29Å; D1329-K1333 PolarHBondContact O-N 2.92Å
1330	T	93.5	Very high	87.3	Confident	40 Å²	40	62 Å²	62	25%	0.245	32%	0.315	C	S	.	.	H	α-helix	trans	-65.1	-43.1	174	-63.3	0	0	0	0	110.4	V1317 I1326 N1327 T1332 K1333 L1334	V1317-T1330 HydrophobicContact CG1-CG2 4.02Å; I1326-T1330 HydrophobicContact CB-CG2 3.84Å; I1326-T1330 HydrophobicContact CG2-CG2 3.61Å; N1327-T1330 PolarHBondContact O-N 2.84Å; N1327-T1330 VanDerWaalsContact O-N 3.14Å; N1327-T1330 PolarHBondContact OD1-N 3.16Å; N1327-T1330 PolarHBondContact OD1-OG1 2.85Å; T1330-T1332 PolarHBondContact O-N 3.23Å; T1330-K1333 PolarHBondContact O-N 3.43Å; T1330-L1334 HydrophobicContact CG2-CD1 3.84Å; T1330-L1334 HydrophobicContact CG2-CG 4.1Å; T1330-L1334 WeakPolarHBondContact O-CB 3.47Å; T1330-L1334 VanDerWaalsContact O-CG 3.31Å; T1330-L1334 WeakPolarHBondContact O-CG 3.42Å; T1330-L1334 PolarHBondContact O-N 2.86Å
1331	M	93.3	Very high	88.1	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-55.7	-49.2	175.6	-179.6	50.2	-176.5	0	0	112	I1326 N1327 K1333 L1334 T1335 I1351 D1361 A1364 L1365 M1368	I1326-M1331 HydrophobicContact CD1-CB 4.04Å; I1326-M1331 HydrophobicContact CD1-SD 3.92Å; N1327-M1331 WeakPolarHBondContact O-CB 3.31Å; N1327-M1331 PolarHBondContact O-N 2.97Å; M1331-K1333 PolarHBondContact O-N 3.05Å; M1331-L1334 PolarHBondContact O-N 3.02Å; M1331-T1335 VanDerWaalsContact O-CB 3.32Å; M1331-T1335 WeakPolarHBondContact O-CB 3.4Å; M1331-T1335 PolarHBondContact O-N 3.06Å; M1331-T1335 PolarHBondContact O-OG1 2.86Å; M1331-I1351 HydrophobicContact CE-CG1 4.44Å; M1331-D1361 HydrophobicContact CB-CB 3.97Å; M1331-D1361 HydrophobicContact CG-CB 4.04Å; M1331-D1361 HydrophobicContact SD-CB 4.49Å; M1331-D1361 VanDerWaalsContact SD-O 3.36Å; M1331-A1364 HydrophobicContact CE-CB 4.12Å; M1331-L1365 HydrophobicContact CE-CB 3.94Å; M1331-L1365 HydrophobicContact CE-CD1 4.05Å; M1331-L1365 HydrophobicContact SD-CB 3.67Å; M1331-L1365 HydrophobicContact SD-CD1 3.9Å; M1331-L1365 HydrophobicContact SD-CD2 4.49Å; M1331-L1365 HydrophobicContact SD-CG 4.21Å; M1331-M1368 HydrophobicContact CE-CE 3.2Å; M1331-M1368 HydrophobicContact CE-SD 3.69Å
1332	T	93	Very high	89	Confident	65 Å²	65	58.5 Å²	58.5	40%	0.399	30%	0.304	S	S	.	.	H	α-helix	trans	-62.5	-44.4	178.1	-52.9	0	0	0	0	111.5	S1328 T1330 Q1336 I1351	S1328-T1332 WeakPolarHBondContact O-CB 3.46Å; S1328-T1332 PolarHBondContact O-N 3.01Å; S1328-T1332 PolarHBondContact O-OG1 2.82Å; T1330-T1332 PolarHBondContact O-N 3.23Å; T1332-Q1336 WeakPolarHBondContact O-CB 3.39Å; T1332-Q1336 PolarHBondContact O-N 3.46Å; T1332-I1351 HydrophobicContact CG2-CD1 4.4Å
1333	K	93.9	Very high	90.2	Very high	121 Å²	121	58.8 Å²	58.8	53%	0.526	31%	0.305	S	S	.	.	H	α-helix	trans	-64.7	-40	178.2	-70.6	161.4	-167.5	162.3	0	112.8	D1329 T1330 M1331 Q1336 K1337	D1329-K1333 WeakPolarHBondContact O-CB 3.3Å; D1329-K1333 VanDerWaalsContact O-CD 3.26Å; D1329-K1333 WeakPolarHBondContact O-CD 3.47Å; D1329-K1333 WeakPolarHBondContact O-CG 3.29Å; D1329-K1333 PolarHBondContact O-N 2.92Å; T1330-K1333 PolarHBondContact O-N 3.43Å; M1331-K1333 PolarHBondContact O-N 3.05Å; K1333-Q1336 PolarHBondContact O-N 3.06Å; K1333-K1337 PolarHBondContact O-N 3.23Å; K1333-K1337 VanDerWaalsContact O-N 3.09Å
1334	L	93.5	Very high	91.2	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-72.6	-44.4	177.8	-66.2	-176.8	0	0	0	110.9	Y1314 V1317 F1318 I1326 T1330 M1331 Q1336 K1337 S1338 L1365	Y1314-L1334 HydrophobicContact CD1-CD2 3.88Å; Y1314-L1334 HydrophobicContact CD2-CD1 4.18Å; Y1314-L1334 HydrophobicContact CD2-CD2 3.77Å; Y1314-L1334 HydrophobicContact CD2-CG 4.41Å; Y1314-L1334 HydrophobicContact CE1-CD2 4.08Å; Y1314-L1334 HydrophobicContact CE2-CB 4.29Å; Y1314-L1334 HydrophobicContact CE2-CD2 3.92Å; Y1314-L1334 HydrophobicContact CE2-CG 4.49Å; Y1314-L1334 HydrophobicContact CG-CD2 3.73Å; V1317-L1334 HydrophobicContact CG1-CD1 4.25Å; V1317-L1334 HydrophobicContact CG2-CD1 4.45Å; F1318-L1334 HydrophobicContact CE2-CD1 3.56Å; F1318-L1334 HydrophobicContact CZ-CD1 3.53Å; I1326-L1334 HydrophobicContact CD1-CD1 4.35Å; T1330-L1334 HydrophobicContact CG2-CD1 3.84Å; T1330-L1334 HydrophobicContact CG2-CG 4.1Å; T1330-L1334 WeakPolarHBondContact O-CB 3.47Å; T1330-L1334 VanDerWaalsContact O-CG 3.31Å; T1330-L1334 WeakPolarHBondContact O-CG 3.42Å; T1330-L1334 PolarHBondContact O-N 2.86Å; M1331-L1334 PolarHBondContact O-N 3.02Å; L1334-Q1336 PolarHBondContact O-N 3.27Å; L1334-K1337 HydrophobicContact CD2-CD 4.23Å; L1334-K1337 CarbonylContact O-C 3.53Å; L1334-K1337 WeakPolarHBondContact O-CA 3.44Å; L1334-K1337 WeakPolarHBondContact O-CB 3.38Å; L1334-K1337 PolarHBondContact O-N 2.86Å; L1334-S1338 PolarHBondContact O-N 3.02Å; L1334-S1338 PolarHBondContact O-OG 3.04Å; L1334-S1338 VanDerWaalsContact O-OG 3.05Å; L1334-L1365 HydrophobicContact CB-CD1 4.39Å; L1334-L1365 HydrophobicContact CB-CD2 3.72Å; L1334-L1365 HydrophobicContact CD1-CD2 3.64Å; L1334-L1365 HydrophobicContact CG-CD2 4.36Å
1335	T	94.2	Very high	92	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-54	-39.3	171.2	-53	0	0	0	0	111.3	M1331 F1339 R1347 L1350 I1351 M1368	M1331-T1335 VanDerWaalsContact O-CB 3.32Å; M1331-T1335 WeakPolarHBondContact O-CB 3.4Å; M1331-T1335 PolarHBondContact O-N 3.06Å; M1331-T1335 PolarHBondContact O-OG1 2.86Å; T1335-F1339 HydrophobicContact CG2-CD2 3.79Å; T1335-F1339 HydrophobicContact CG2-CE2 4.39Å; T1335-F1339 WeakPolarHBondContact O-CB 3.48Å; T1335-F1339 WeakPolarHBondContact O-CD2 3.41Å; T1335-F1339 PolarHBondContact O-N 3.39Å; T1335-R1347 HydrophobicContact CG2-CB 4.46Å; T1335-R1347 HydrophobicContact CG2-CG 4.28Å; T1335-L1350 HydrophobicContact CG2-CD2 4.23Å; T1335-I1351 HydrophobicContact CG2-CD1 3.98Å; T1335-I1351 HydrophobicContact CG2-CG1 3.95Å; T1335-M1368 HydrophobicContact CG2-SD 4.24Å
1336	Q	92.9	Very high	92.4	Very high	103 Å²	103	63 Å²	63	48%	0.481	32%	0.32	S	S	.	.	H	α-helix	trans	-66.9	-36.6	174.2	-170.6	-179.1	14.8	0	0	113.4	T1332 K1333 L1334 P1340	T1332-Q1336 WeakPolarHBondContact O-CB 3.39Å; T1332-Q1336 PolarHBondContact O-N 3.46Å; K1333-Q1336 PolarHBondContact O-N 3.06Å; L1334-Q1336 PolarHBondContact O-N 3.27Å; Q1336-P1340 WeakPolarHBondContact O-CA 3.24Å
1337	K	91.3	Very high	92.5	Very high	104 Å²	104	63.3 Å²	63.3	45%	0.452	32%	0.32	S	S	.	.	H	α-helix	trans	-72.8	-37.2	174.3	-73	-174	-176.9	-179.6	0	112.9	Y1314 E1316 K1333 L1334	Y1314-K1337 HydrophobicContact CD1-CD 4.21Å; Y1314-K1337 HydrophobicContact CE1-CB 4.05Å; Y1314-K1337 HydrophobicContact CE1-CD 3.55Å; Y1314-K1337 VanDerWaalsContact OH-CB 3.25Å; Y1314-K1337 WeakPolarHBondContact OH-CB 2.93Å; E1316-K1337 IonicContact OE1-NZ 3.27Å; E1316-K1337 PolarHBondContact OE1-NZ 3.48Å; K1333-K1337 PolarHBondContact O-N 3.23Å; K1333-K1337 VanDerWaalsContact O-N 3.09Å; L1334-K1337 HydrophobicContact CD2-CD 4.23Å; L1334-K1337 CarbonylContact O-C 3.53Å; L1334-K1337 WeakPolarHBondContact O-CA 3.44Å; L1334-K1337 WeakPolarHBondContact O-CB 3.38Å; L1334-K1337 PolarHBondContact O-N 2.86Å
1338	S	91.4	Very high	92.5	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-78.9	-36.3	-178.8	-46.9	0	0	0	0	111.8	Y1314 L1334 P1340 Y1373	Y1314-S1338 PolarHBondContact OH-N 2.96Å; Y1314-S1338 PolarHBondContact OH-OG 2.68Å; L1334-S1338 PolarHBondContact O-N 3.02Å; L1334-S1338 PolarHBondContact O-OG 3.04Å; L1334-S1338 VanDerWaalsContact O-OG 3.05Å; S1338-P1340 VanDerWaalsContact O-CD 3.26Å; S1338-P1340 WeakPolarHBondContact O-CD 3.46Å; S1338-Y1373 PolarHBondContact O-OH 3.44Å; S1338-Y1373 VanDerWaalsContact O-OH 3.06Å
1339	F	92.3	Very high	92.7	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.018	33%	0.329	C	S	.	.			trans	-122	63.8	-177.9	-47.3	-69.9	0	0	0	111.4	T1335 F1341 L1342 R1347 L1350 M1368 V1369 Y1372 Y1373	T1335-F1339 HydrophobicContact CG2-CD2 3.79Å; T1335-F1339 HydrophobicContact CG2-CE2 4.39Å; T1335-F1339 WeakPolarHBondContact O-CB 3.48Å; T1335-F1339 WeakPolarHBondContact O-CD2 3.41Å; T1335-F1339 PolarHBondContact O-N 3.39Å; F1339-F1341 VanDerWaalsContact C-N 3.25Å; F1339-F1341 HydrophobicContact CB-CE1 4.26Å; F1339-F1341 HydrophobicContact CB-CZ 4.18Å; F1339-F1341 HydrophobicContact CD1-CE1 4.13Å; F1339-F1341 AromaticContact CD1-CZ 3.86Å; F1339-F1341 HydrophobicContact CD1-CZ 3.86Å; F1339-F1341 PolarHBondContact O-N 2.93Å; F1339-L1342 HydrophobicContact CB-CD1 3.79Å; F1339-L1342 HydrophobicContact CB-CG 4.1Å; F1339-L1342 HydrophobicContact CG-CD1 4.42Å; F1339-L1342 PolarHBondContact O-N 2.77Å; F1339-R1347 PolarHBondContact O-NH1 2.68Å; F1339-L1350 HydrophobicContact CD2-CD2 3.87Å; F1339-L1350 HydrophobicContact CE2-CD2 4.04Å; F1339-L1350 HydrophobicContact CG-CD2 4.39Å; F1339-M1368 HydrophobicContact CE2-CB 3.9Å; F1339-M1368 HydrophobicContact CE2-SD 4.24Å; F1339-M1368 HydrophobicContact CZ-CB 3.94Å; F1339-V1369 HydrophobicContact CZ-CG2 4.29Å; F1339-Y1372 HydrophobicContact CD1-CD1 4.13Å; F1339-Y1372 HydrophobicContact CD1-CE1 4.49Å; F1339-Y1372 HydrophobicContact CD1-CG 4.47Å; F1339-Y1372 AromaticContact CE1-CD1 3.68Å; F1339-Y1372 HydrophobicContact CE1-CD1 3.68Å; F1339-Y1372 HydrophobicContact CE1-CE1 4.46Å; F1339-Y1372 AromaticContact CE1-CG 3.89Å; F1339-Y1372 HydrophobicContact CE1-CG 3.89Å; F1339-Y1373 HydrophobicContact CE1-CD2 4.49Å; F1339-Y1373 AromaticContact CE1-CE2 3.91Å; F1339-Y1373 HydrophobicContact CE1-CE2 3.91Å
1340	P	89.2	Confident	92.7	Very high	77 Å²	77	62.4 Å²	62.4	50%	0.5	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-24.6	-176.8	29	-36	0	0	0	112.8	Q1336 S1338 R1347	Q1336-P1340 WeakPolarHBondContact O-CA 3.24Å; S1338-P1340 VanDerWaalsContact O-CD 3.26Å; S1338-P1340 WeakPolarHBondContact O-CD 3.46Å; P1340-R1347 PolarHBondContact O-NH1 3.2Å
1341	F	87.9	Confident	92.8	Very high	110 Å²	110	61 Å²	61	48%	0.482	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-17.7	-178.5	56.9	-94.1	0	0	0	114.4	F1339 Y1372	F1339-F1341 VanDerWaalsContact C-N 3.25Å; F1339-F1341 HydrophobicContact CB-CE1 4.26Å; F1339-F1341 HydrophobicContact CB-CZ 4.18Å; F1339-F1341 HydrophobicContact CD1-CE1 4.13Å; F1339-F1341 AromaticContact CD1-CZ 3.86Å; F1339-F1341 HydrophobicContact CD1-CZ 3.86Å; F1339-F1341 PolarHBondContact O-N 2.93Å; F1341-Y1372 HydrophobicContact CE1-CE1 4.03Å; F1341-Y1372 HydrophobicContact CE2-CE2 4.45Å; F1341-Y1372 HydrophobicContact CZ-CD1 4.48Å; F1341-Y1372 AromaticContact CZ-CE1 3.63Å; F1341-Y1372 HydrophobicContact CZ-CE1 3.63Å; F1341-Y1372 HydrophobicContact CZ-CE2 4.07Å; F1341-Y1372 AromaticContact CZ-CZ 3.39Å; F1341-Y1372 VanDerWaalsContact CZ-OH 3.27Å; F1341-Y1372 WeakPolarHBondContact CZ-OH 3.22Å
1342	L	91.7	Very high	92.8	Very high	40 Å²	40	63.3 Å²	63.3	21%	0.209	32%	0.324	C	S	.	.	S	Bend	trans	-75	159.5	172.7	-64.4	-177.9	0	0	0	110.9	F1339 E1346 R1347 L1350	F1339-L1342 HydrophobicContact CB-CD1 3.79Å; F1339-L1342 HydrophobicContact CB-CG 4.1Å; F1339-L1342 HydrophobicContact CG-CD1 4.42Å; F1339-L1342 PolarHBondContact O-N 2.77Å; L1342-E1346 WeakPolarHBondContact CA-OE2 3.48Å; L1342-E1346 HydrophobicContact CB-CB 4.06Å; L1342-E1346 HydrophobicContact CD1-CB 4.44Å; L1342-E1346 HydrophobicContact CD2-CB 4.16Å; L1342-E1346 HydrophobicContact CG-CB 4.45Å; L1342-R1347 HydrophobicContact CB-CG 3.86Å; L1342-R1347 HydrophobicContact CD1-CG 4.17Å; L1342-R1347 PolarHBondContact O-NH1 2.93Å; L1342-R1347 PolarHBondContact O-NH2 2.83Å; L1342-R1347 VanDerWaalsContact O-NH2 3.16Å; L1342-L1350 HydrophobicContact CD1-CD2 4.06Å
1343	N	94	Very high	92.9	Very high	74 Å²	74	65.7 Å²	65.7	40%	0.396	33%	0.33	S	S	.	.			trans	-88.9	171.2	164	68.4	60.2	0	0	0	111.9	K1345 E1346 R1347	N1343-K1345 VanDerWaalsContact C-N 3.29Å; N1343-K1345 PolarHBondContact O-N 3.16Å; N1343-K1345 WeakPolarHBondContact OD1-CB 3.45Å; N1343-K1345 PolarHBondContact OD1-N 3.39Å; N1343-E1346 VanDerWaalsContact CG-CD 3.46Å; N1343-E1346 PolarHBondContact N-OE2 3.14Å; N1343-E1346 PolarHBondContact ND2-OE1 3.09Å; N1343-E1346 PolarHBondContact ND2-OE2 2.68Å; N1343-E1346 VanDerWaalsContact ND2-OE2 3.1Å; N1343-E1346 PolarHBondContact O-N 3.04Å; N1343-E1346 PolarHBondContact OD1-N 3.11Å; N1343-R1347 PolarHBondContact O-N 3.49Å
1344	D	92	Very high	92.9	Very high	107 Å²	107	61 Å²	61	57%	0.572	31%	0.31	S	S	*	.	H	α-helix	trans	-68.6	-25.6	-174	-61.1	-39.9	0	0	0	113.8	R1347 S1348	D1344-R1347 IonicContact OD1-CZ 2.67Å; D1344-R1347 IonicContact OD1-NE 3.48Å; D1344-R1347 PolarHBondContact OD1-NE 2.68Å; D1344-R1347 IonicContact OD1-NH2 2.65Å; D1344-R1347 PolarHBondContact OD1-NH2 3.38Å; D1344-S1348 WeakPolarHBondContact O-CB 3.45Å; D1344-S1348 PolarHBondContact O-N 2.84Å; D1344-S1348 PolarHBondContact O-OG 3.35Å
1345	K	94.1	Very high	92.9	Very high	132 Å²	132	65.3 Å²	65.3	57%	0.574	33%	0.325	S	S	*	.	H	α-helix	trans	-69.5	-49.7	172.5	179.2	-174.7	174.2	-71	0	110	N1343 R1347 S1348 E1349	N1343-K1345 VanDerWaalsContact C-N 3.29Å; N1343-K1345 PolarHBondContact O-N 3.16Å; N1343-K1345 WeakPolarHBondContact OD1-CB 3.45Å; N1343-K1345 PolarHBondContact OD1-N 3.39Å; K1345-R1347 PolarHBondContact O-N 3.23Å; K1345-S1348 WeakPolarHBondContact O-CB 3.19Å; K1345-S1348 PolarHBondContact O-N 2.94Å; K1345-S1348 VanDerWaalsContact O-N 3.1Å; K1345-E1349 WeakPolarHBondContact CE-OE1 3.18Å; K1345-E1349 IonicContact NZ-OE1 2.9Å; K1345-E1349 PolarHBondContact NZ-OE1 3.38Å; K1345-E1349 IonicContact NZ-OE2 3.82Å; K1345-E1349 PolarHBondContact NZ-OE2 3.47Å; K1345-E1349 WeakPolarHBondContact O-CG 3.45Å; K1345-E1349 PolarHBondContact O-N 3.14Å
1346	E	94.6	Very high	92.8	Very high	80 Å²	80	73.1 Å²	73.1	37%	0.374	36%	0.362	S	S	.	.	H	α-helix	trans	-59.7	-43.7	177	-72.8	156.2	-172.4	0	0	112	L1342 N1343 S1348 E1349 L1350	L1342-E1346 WeakPolarHBondContact CA-OE2 3.48Å; L1342-E1346 HydrophobicContact CB-CB 4.06Å; L1342-E1346 HydrophobicContact CD1-CB 4.44Å; L1342-E1346 HydrophobicContact CD2-CB 4.16Å; L1342-E1346 HydrophobicContact CG-CB 4.45Å; N1343-E1346 VanDerWaalsContact CG-CD 3.46Å; N1343-E1346 PolarHBondContact N-OE2 3.14Å; N1343-E1346 PolarHBondContact ND2-OE1 3.09Å; N1343-E1346 PolarHBondContact ND2-OE2 2.68Å; N1343-E1346 VanDerWaalsContact ND2-OE2 3.1Å; N1343-E1346 PolarHBondContact O-N 3.04Å; N1343-E1346 PolarHBondContact OD1-N 3.11Å; E1346-S1348 VanDerWaalsContact C-N 3.33Å; E1346-S1348 PolarHBondContact O-N 2.99Å; E1346-E1349 PolarHBondContact O-N 2.76Å; E1346-L1350 VanDerWaalsContact O-CB 3.31Å; E1346-L1350 WeakPolarHBondContact O-CB 3.39Å; E1346-L1350 PolarHBondContact O-N 3.18Å
1347	R	94	Very high	92.6	Very high	27 Å²	27	73.5 Å²	73.5	10%	0.102	36%	0.362	C	S	.	.	H	α-helix	trans	-60.8	-40.4	173	-77.1	-170.4	-80.5	-90.9	-8.8	112.3	T1335 F1339 P1340 L1342 N1343 D1344 K1345 L1350 I1351	T1335-R1347 HydrophobicContact CG2-CB 4.46Å; T1335-R1347 HydrophobicContact CG2-CG 4.28Å; F1339-R1347 PolarHBondContact O-NH1 2.68Å; P1340-R1347 PolarHBondContact O-NH1 3.2Å; L1342-R1347 HydrophobicContact CB-CG 3.86Å; L1342-R1347 HydrophobicContact CD1-CG 4.17Å; L1342-R1347 PolarHBondContact O-NH1 2.93Å; L1342-R1347 PolarHBondContact O-NH2 2.83Å; L1342-R1347 VanDerWaalsContact O-NH2 3.16Å; N1343-R1347 PolarHBondContact O-N 3.49Å; D1344-R1347 IonicContact OD1-CZ 2.67Å; D1344-R1347 IonicContact OD1-NE 3.48Å; D1344-R1347 PolarHBondContact OD1-NE 2.68Å; D1344-R1347 IonicContact OD1-NH2 2.65Å; D1344-R1347 PolarHBondContact OD1-NH2 3.38Å; K1345-R1347 PolarHBondContact O-N 3.23Å; R1347-L1350 PolarHBondContact O-N 2.92Å; R1347-I1351 WeakPolarHBondContact O-CB 3.29Å; R1347-I1351 WeakPolarHBondContact O-CD1 3.19Å; R1347-I1351 VanDerWaalsContact O-CG1 3.22Å; R1347-I1351 WeakPolarHBondContact O-CG1 3.37Å; R1347-I1351 PolarHBondContact O-N 3.14Å
1348	S	93	Very high	92.6	Very high	76 Å²	76	70 Å²	70	53%	0.531	35%	0.348	S	S	.	.	H	α-helix	trans	-67	-39.6	177.9	-59.6	0	0	0	0	112.2	D1344 K1345 E1346 A1352	D1344-S1348 WeakPolarHBondContact O-CB 3.45Å; D1344-S1348 PolarHBondContact O-N 2.84Å; D1344-S1348 PolarHBondContact O-OG 3.35Å; K1345-S1348 WeakPolarHBondContact O-CB 3.19Å; K1345-S1348 PolarHBondContact O-N 2.94Å; K1345-S1348 VanDerWaalsContact O-N 3.1Å; E1346-S1348 VanDerWaalsContact C-N 3.33Å; E1346-S1348 PolarHBondContact O-N 2.99Å; S1348-A1352 VanDerWaalsContact O-CB 3.31Å; S1348-A1352 WeakPolarHBondContact O-CB 3.49Å; S1348-A1352 PolarHBondContact O-N 3.38Å
1349	E	94.3	Very high	92.4	Very high	103 Å²	103	74.9 Å²	74.9	48%	0.481	39%	0.389	S	S	.	.	H	α-helix	trans	-69.7	-39	176.8	-72.2	171.3	147	0	0	111.6	K1345 E1346 A1352 H1353	K1345-E1349 WeakPolarHBondContact CE-OE1 3.18Å; K1345-E1349 IonicContact NZ-OE1 2.9Å; K1345-E1349 PolarHBondContact NZ-OE1 3.38Å; K1345-E1349 IonicContact NZ-OE2 3.82Å; K1345-E1349 PolarHBondContact NZ-OE2 3.47Å; K1345-E1349 WeakPolarHBondContact O-CG 3.45Å; K1345-E1349 PolarHBondContact O-N 3.14Å; E1346-E1349 PolarHBondContact O-N 2.76Å; E1349-A1352 PolarHBondContact O-N 3.32Å; E1349-H1353 WeakPolarHBondContact O-CB 3.48Å; E1349-H1353 PolarHBondContact O-N 3.27Å
1350	L	93.1	Very high	92.4	Very high	43 Å²	43	76.6 Å²	76.6	23%	0.225	40%	0.398	C	S	.	.	H	α-helix	trans	-60	-50.9	171.2	-170.9	74.3	0	0	0	111.2	T1335 F1339 L1342 E1346 R1347 A1352 H1353 Y1354 M1368	T1335-L1350 HydrophobicContact CG2-CD2 4.23Å; F1339-L1350 HydrophobicContact CD2-CD2 3.87Å; F1339-L1350 HydrophobicContact CE2-CD2 4.04Å; F1339-L1350 HydrophobicContact CG-CD2 4.39Å; L1342-L1350 HydrophobicContact CD1-CD2 4.06Å; E1346-L1350 VanDerWaalsContact O-CB 3.31Å; E1346-L1350 WeakPolarHBondContact O-CB 3.39Å; E1346-L1350 PolarHBondContact O-N 3.18Å; R1347-L1350 PolarHBondContact O-N 2.92Å; L1350-A1352 VanDerWaalsContact C-N 3.31Å; L1350-A1352 PolarHBondContact O-N 3.19Å; L1350-H1353 PolarHBondContact O-N 3.05Å; L1350-H1353 VanDerWaalsContact O-N 3.14Å; L1350-Y1354 HydrophobicContact CD1-CD2 4.1Å; L1350-Y1354 HydrophobicContact CD1-CE2 3.64Å; L1350-Y1354 HydrophobicContact CG-CD2 4.33Å; L1350-Y1354 HydrophobicContact CG-CE2 4.32Å; L1350-Y1354 WeakPolarHBondContact O-CD2 3.35Å; L1350-Y1354 PolarHBondContact O-N 3.01Å; L1350-M1368 HydrophobicContact CD2-CG 4.25Å; L1350-M1368 HydrophobicContact CD2-SD 3.78Å; L1350-M1368 HydrophobicContact CG-CE 4.33Å; L1350-M1368 HydrophobicContact CG-CG 4.14Å; L1350-M1368 HydrophobicContact CG-SD 3.88Å
1351	I	94.5	Very high	92.6	Very high	11 Å²	11	74 Å²	74	6%	0.056	38%	0.38	C	S	.	.	H	α-helix	trans	-59.5	-41.6	176.9	-69.8	164.8	0	0	0	111.5	M1331 T1332 T1335 R1347 H1353 R1355 M1368	M1331-I1351 HydrophobicContact CE-CG1 4.44Å; T1332-I1351 HydrophobicContact CG2-CD1 4.4Å; T1335-I1351 HydrophobicContact CG2-CD1 3.98Å; T1335-I1351 HydrophobicContact CG2-CG1 3.95Å; R1347-I1351 WeakPolarHBondContact O-CB 3.29Å; R1347-I1351 WeakPolarHBondContact O-CD1 3.19Å; R1347-I1351 VanDerWaalsContact O-CG1 3.22Å; R1347-I1351 WeakPolarHBondContact O-CG1 3.37Å; R1347-I1351 PolarHBondContact O-N 3.14Å; I1351-H1353 VanDerWaalsContact C-N 3.32Å; I1351-H1353 PolarHBondContact O-N 2.77Å; I1351-R1355 WeakPolarHBondContact O-CB 3.04Å; I1351-R1355 WeakPolarHBondContact O-CD 3.34Å; I1351-R1355 VanDerWaalsContact O-CG 3.24Å; I1351-R1355 WeakPolarHBondContact O-CG 3.07Å; I1351-R1355 PolarHBondContact O-N 2.98Å; I1351-M1368 HydrophobicContact CB-CE 4.45Å; I1351-M1368 HydrophobicContact CG1-CE 4.12Å
1352	A	94.2	Very high	92.8	Very high	48 Å²	48	69.8 Å²	69.8	40%	0.397	36%	0.361	S	S	.	.	H	α-helix	trans	-66.9	-31	177.5	0	0	0	0	0	113.2	S1348 E1349 L1350 Q1356	S1348-A1352 VanDerWaalsContact O-CB 3.31Å; S1348-A1352 WeakPolarHBondContact O-CB 3.49Å; S1348-A1352 PolarHBondContact O-N 3.38Å; E1349-A1352 PolarHBondContact O-N 3.32Å; L1350-A1352 VanDerWaalsContact C-N 3.31Å; L1350-A1352 PolarHBondContact O-N 3.19Å; A1352-Q1356 WeakPolarHBondContact O-CG 3.26Å; A1352-Q1356 PolarHBondContact O-NE2 2.94Å
1353	H	94.5	Very high	92.9	Very high	114 Å²	114	69.7 Å²	69.7	53%	0.528	36%	0.36	S	S	.	.	H	α-helix	trans	-70.7	-56.7	178.4	-178.8	71.5	0	0	0	112.1	E1349 L1350 I1351 R1355 Q1356	E1349-H1353 WeakPolarHBondContact O-CB 3.48Å; E1349-H1353 PolarHBondContact O-N 3.27Å; L1350-H1353 PolarHBondContact O-N 3.05Å; L1350-H1353 VanDerWaalsContact O-N 3.14Å; I1351-H1353 VanDerWaalsContact C-N 3.32Å; I1351-H1353 PolarHBondContact O-N 2.77Å; H1353-R1355 VanDerWaalsContact C-N 3.28Å; H1353-R1355 PolarHBondContact O-N 3.22Å; H1353-Q1356 WeakPolarHBondContact O-CB 3.06Å; H1353-Q1356 PolarHBondContact O-N 2.72Å
1354	Y	94.6	Very high	92.9	Very high	24 Å²	24	66.1 Å²	66.1	9%	0.094	34%	0.341	C	S	.	.	H	α-helix	trans	-68.1	-27.4	-176.5	-73.7	-93.9	0	0	0	112.7	L1350 Q1356 K1357 D1358 S1367 M1368 D1371	L1350-Y1354 HydrophobicContact CD1-CD2 4.1Å; L1350-Y1354 HydrophobicContact CD1-CE2 3.64Å; L1350-Y1354 HydrophobicContact CG-CD2 4.33Å; L1350-Y1354 HydrophobicContact CG-CE2 4.32Å; L1350-Y1354 WeakPolarHBondContact O-CD2 3.35Å; L1350-Y1354 PolarHBondContact O-N 3.01Å; Y1354-Q1356 PolarHBondContact O-N 3.25Å; Y1354-Q1356 VanDerWaalsContact O-N 3.1Å; Y1354-K1357 HydrophobicContact CD1-CD 3.87Å; Y1354-K1357 HydrophobicContact CE1-CD 4.12Å; Y1354-K1357 WeakPolarHBondContact O-CB 3.4Å; Y1354-K1357 PolarHBondContact O-N 3.07Å; Y1354-D1358 PolarHBondContact O-N 3.36Å; Y1354-S1367 VanDerWaalsContact CD1-CB 3.49Å; Y1354-M1368 HydrophobicContact CD1-CG 4.05Å; Y1354-M1368 HydrophobicContact CD2-CE 3.89Å; Y1354-M1368 HydrophobicContact CD2-CG 3.37Å; Y1354-M1368 HydrophobicContact CD2-SD 4.4Å; Y1354-M1368 HydrophobicContact CE1-CG 4.28Å; Y1354-M1368 HydrophobicContact CE2-CG 3.66Å; Y1354-M1368 HydrophobicContact CG-CE 3.97Å; Y1354-M1368 HydrophobicContact CG-CG 3.59Å; Y1354-D1371 HydrophobicContact CE1-CB 4.4Å; Y1354-D1371 WeakPolarHBondContact CE1-OD2 3.26Å; Y1354-D1371 WeakPolarHBondContact OH-CB 3.38Å
1355	R	93.8	Very high	93	Very high	95 Å²	95	61 Å²	61	36%	0.358	31%	0.314	S	S	.	.	H	α-helix	trans	-64.3	-9.1	168.8	-77.6	176.6	165.6	172.3	-7.2	115.4	S1328 I1351 H1353 D1361	S1328-R1355 VanDerWaalsContact CA-NH2 3.3Å; S1328-R1355 PolarHBondContact OG-NH1 3.33Å; S1328-R1355 PolarHBondContact OG-NH2 3.49Å; I1351-R1355 WeakPolarHBondContact O-CB 3.04Å; I1351-R1355 WeakPolarHBondContact O-CD 3.34Å; I1351-R1355 VanDerWaalsContact O-CG 3.24Å; I1351-R1355 WeakPolarHBondContact O-CG 3.07Å; I1351-R1355 PolarHBondContact O-N 2.98Å; H1353-R1355 VanDerWaalsContact C-N 3.28Å; H1353-R1355 PolarHBondContact O-N 3.22Å; R1355-D1361 IonicContact CZ-OD1 2.76Å; R1355-D1361 IonicContact CZ-OD2 2.67Å; R1355-D1361 IonicContact NE-OD1 3.62Å; R1355-D1361 PolarHBondContact NE-OD1 3.21Å; R1355-D1361 IonicContact NH2-OD1 2.74Å; R1355-D1361 PolarHBondContact NH2-OD1 3.41Å; R1355-D1361 IonicContact NH2-OD2 2.81Å; R1355-D1361 PolarHBondContact NH2-OD2 3.06Å
1356	Q	91.8	Very high	93	Very high	163 Å²	163	55.1 Å²	55.1	76%	0.762	29%	0.289	S	S	*	.	H	α-helix	trans	-98.1	-17.8	170	-63.5	167.4	56	0	0	112.2	A1352 H1353 Y1354	A1352-Q1356 WeakPolarHBondContact O-CG 3.26Å; A1352-Q1356 PolarHBondContact O-NE2 2.94Å; H1353-Q1356 WeakPolarHBondContact O-CB 3.06Å; H1353-Q1356 PolarHBondContact O-N 2.72Å; Y1354-Q1356 PolarHBondContact O-N 3.25Å; Y1354-Q1356 VanDerWaalsContact O-N 3.1Å
1357	K	89.3	Confident	93	Very high	112 Å²	112	52.3 Å²	52.3	49%	0.487	28%	0.279	S	S	.	.	H	α-helix	trans	-88	-52.5	176.7	-179.1	-166.4	178.3	-160.5	0	110.8	Y1354 S1367 D1371	Y1354-K1357 HydrophobicContact CD1-CD 3.87Å; Y1354-K1357 HydrophobicContact CE1-CD 4.12Å; Y1354-K1357 WeakPolarHBondContact O-CB 3.4Å; Y1354-K1357 PolarHBondContact O-N 3.07Å; K1357-S1367 PolarHBondContact NZ-OG 3.29Å; K1357-D1371 IonicContact NZ-OD2 2.74Å; K1357-D1371 PolarHBondContact NZ-OD2 2.93Å
1358	D	90.3	Very high	93.1	Very high	29 Å²	29	51.1 Å²	51.1	16%	0.155	27%	0.274	C	S	.	.	S	Bend	trans	-106.3	143.7	-165.8	-50.8	-78.9	0	0	0	112	Y1354 N1360 D1363 A1364 S1367	Y1354-D1358 PolarHBondContact O-N 3.36Å; D1358-N1360 VanDerWaalsContact C-N 3.27Å; D1358-N1360 PolarHBondContact O-N 3.3Å; D1358-D1363 HydrophobicContact CB-CB 4.15Å; D1358-A1364 HydrophobicContact CB-CB 4.09Å; D1358-A1364 WeakPolarHBondContact OD2-CA 3.5Å; D1358-S1367 PolarHBondContact OD1-OG 3.49Å; D1358-S1367 WeakPolarHBondContact OD2-CB 3.34Å; D1358-S1367 PolarHBondContact OD2-OG 2.88Å
1359	A	87.1	Confident	93.1	Very high	104 Å²	104	47.5 Å²	47.5	86%	0.86	25%	0.249	S	C	*	.	S	Bend	trans	-73.3	-11.2	-170.1	0	0	0	0	0	115.3
1360	N	92.1	Very high	93.1	Very high	39 Å²	39	42.8 Å²	42.8	21%	0.209	23%	0.228	C	C	.	.	S	Bend	trans	-159.3	167.2	179.5	65	79.7	0	0	0	111.8	M1325 D1358 R1362 D1363 A1364	M1325-N1360 HydrophobicContact CE-CB 3.88Å; D1358-N1360 VanDerWaalsContact C-N 3.27Å; D1358-N1360 PolarHBondContact O-N 3.3Å; N1360-R1362 PolarHBondContact O-N 2.94Å; N1360-R1362 WeakPolarHBondContact OD1-CB 3.31Å; N1360-R1362 PolarHBondContact OD1-N 2.83Å; N1360-D1363 PolarHBondContact ND2-OD2 3.24Å; N1360-D1363 PolarHBondContact O-N 2.99Å; N1360-D1363 PolarHBondContact OD1-N 2.93Å; N1360-D1363 VanDerWaalsContact OD1-N 3.1Å; N1360-A1364 WeakPolarHBondContact O-CB 3.41Å; N1360-A1364 PolarHBondContact O-N 2.04Å
1361	D	93.8	Very high	93.1	Very high	23 Å²	23	42 Å²	42	12%	0.123	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-29	-175.1	-79.4	-18.6	0	0	0	114.8	I1326 N1327 S1328 M1331 R1355 L1365	I1326-D1361 HydrophobicContact CD1-CB 4.28Å; I1326-D1361 HydrophobicContact CG1-CB 3.8Å; N1327-D1361 VanDerWaalsContact C-OD2 3.23Å; S1328-D1361 VanDerWaalsContact CA-OD2 3.27Å; S1328-D1361 WeakPolarHBondContact CA-OD2 3.15Å; S1328-D1361 PolarHBondContact N-OD2 3.43Å; M1331-D1361 HydrophobicContact CB-CB 3.97Å; M1331-D1361 HydrophobicContact CG-CB 4.04Å; M1331-D1361 HydrophobicContact SD-CB 4.49Å; M1331-D1361 VanDerWaalsContact SD-O 3.36Å; R1355-D1361 IonicContact CZ-OD1 2.76Å; R1355-D1361 IonicContact CZ-OD2 2.67Å; R1355-D1361 IonicContact NE-OD1 3.62Å; R1355-D1361 PolarHBondContact NE-OD1 3.21Å; R1355-D1361 IonicContact NH2-OD1 2.74Å; R1355-D1361 PolarHBondContact NH2-OD1 3.41Å; R1355-D1361 IonicContact NH2-OD2 2.81Å; R1355-D1361 PolarHBondContact NH2-OD2 3.06Å; D1361-L1365 PolarHBondContact O-N 3.47Å; D1361-L1365 VanDerWaalsContact O-N 3.09Å
1362	R	92.4	Very high	93	Very high	22 Å²	22	45.8 Å²	45.8	8%	0.083	24%	0.238	C	C	.	.	H	α-helix	trans	-67.8	-48.4	176.7	174.1	-159.6	71.8	-153.9	-8.2	109.8	F1318 D1323 M1325 I1326 N1360 A1364 L1365 S1366 W1409	F1318-R1362 HydrophobicContact CD1-CG 4.34Å; F1318-R1362 HydrophobicContact CE1-CG 3.99Å; D1323-R1362 WeakPolarHBondContact O-CD 3.47Å; D1323-R1362 PolarHBondContact O-NH1 2.88Å; M1325-R1362 PolarHBondContact SD-NH1 3.47Å; M1325-R1362 VanDerWaalsContact SD-NH1 3.41Å; I1326-R1362 HydrophobicContact CG1-CB 4.2Å; N1360-R1362 PolarHBondContact O-N 2.94Å; N1360-R1362 WeakPolarHBondContact OD1-CB 3.31Å; N1360-R1362 PolarHBondContact OD1-N 2.83Å; R1362-A1364 VanDerWaalsContact C-N 3.35Å; R1362-L1365 WeakPolarHBondContact O-CB 3.12Å; R1362-L1365 PolarHBondContact O-N 2.87Å; R1362-S1366 PolarHBondContact O-N 3.28Å; R1362-W1409 HydrophobicContact CG-CE3 4.27Å; R1362-W1409 HydrophobicContact CG-CZ3 4.18Å; R1362-W1409 VanDerWaalsContact CZ-CB 3.48Å
1363	D	92.8	Very high	93	Very high	37 Å²	37	44 Å²	44	20%	0.198	22%	0.221	C	C	.	.	H	α-helix	trans	-71.4	-35	-177.5	-60.7	-18	0	0	0	110.6	D1358 N1360 L1365 S1366 S1367	D1358-D1363 HydrophobicContact CB-CB 4.15Å; N1360-D1363 PolarHBondContact ND2-OD2 3.24Å; N1360-D1363 PolarHBondContact O-N 2.99Å; N1360-D1363 PolarHBondContact OD1-N 2.93Å; N1360-D1363 VanDerWaalsContact OD1-N 3.1Å; D1363-L1365 VanDerWaalsContact C-N 3.32Å; D1363-L1365 PolarHBondContact O-N 3.49Å; D1363-S1366 WeakPolarHBondContact O-CB 3.46Å; D1363-S1366 PolarHBondContact O-N 2.88Å; D1363-S1367 WeakPolarHBondContact O-CB 3.3Å; D1363-S1367 PolarHBondContact O-N 3.24Å
1364	A	94.8	Very high	93	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.4	-40.1	168.8	0	0	0	0	0	112.9	M1331 D1358 N1360 R1362 M1368	M1331-A1364 HydrophobicContact CE-CB 4.12Å; D1358-A1364 HydrophobicContact CB-CB 4.09Å; D1358-A1364 WeakPolarHBondContact OD2-CA 3.5Å; N1360-A1364 WeakPolarHBondContact O-CB 3.41Å; N1360-A1364 PolarHBondContact O-N 2.04Å; R1362-A1364 VanDerWaalsContact C-N 3.35Å; A1364-M1368 VanDerWaalsContact O-CG 3.27Å; A1364-M1368 WeakPolarHBondContact O-CG 3.33Å; A1364-M1368 PolarHBondContact O-N 3.48Å
1365	L	94.8	Very high	92.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-70	-41.2	174.9	-168.4	64.7	0	0	0	112.2	L1310 F1318 I1326 M1331 L1334 D1361 R1362 D1363 M1368 V1369	L1310-L1365 HydrophobicContact CD2-CD2 3.8Å; L1310-L1365 HydrophobicContact CD2-CG 3.92Å; F1318-L1365 HydrophobicContact CE2-CD2 4.4Å; F1318-L1365 HydrophobicContact CZ-CD2 3.88Å; I1326-L1365 HydrophobicContact CD1-CB 4.43Å; I1326-L1365 HydrophobicContact CD1-CD2 4.08Å; M1331-L1365 HydrophobicContact CE-CB 3.94Å; M1331-L1365 HydrophobicContact CE-CD1 4.05Å; M1331-L1365 HydrophobicContact SD-CB 3.67Å; M1331-L1365 HydrophobicContact SD-CD1 3.9Å; M1331-L1365 HydrophobicContact SD-CD2 4.49Å; M1331-L1365 HydrophobicContact SD-CG 4.21Å; L1334-L1365 HydrophobicContact CB-CD1 4.39Å; L1334-L1365 HydrophobicContact CB-CD2 3.72Å; L1334-L1365 HydrophobicContact CD1-CD2 3.64Å; L1334-L1365 HydrophobicContact CG-CD2 4.36Å; D1361-L1365 PolarHBondContact O-N 3.47Å; D1361-L1365 VanDerWaalsContact O-N 3.09Å; R1362-L1365 WeakPolarHBondContact O-CB 3.12Å; R1362-L1365 PolarHBondContact O-N 2.87Å; D1363-L1365 VanDerWaalsContact C-N 3.32Å; D1363-L1365 PolarHBondContact O-N 3.49Å; L1365-M1368 PolarHBondContact O-N 2.95Å; L1365-V1369 WeakPolarHBondContact O-CG2 3.45Å; L1365-V1369 PolarHBondContact O-N 3.2Å
1366	S	93.7	Very high	92.9	Very high	8 Å²	8	36.8 Å²	36.8	6%	0.056	20%	0.2	C	C	.	.	H	α-helix	trans	-58.1	-51	175.4	-170.8	0	0	0	0	110.7	S1307 R1362 D1363 V1369 G1370	S1307-S1366 WeakPolarHBondContact CA-OG 3.44Å; S1307-S1366 WeakPolarHBondContact CB-OG 3.34Å; S1307-S1366 PolarHBondContact N-OG 2.81Å; R1362-S1366 PolarHBondContact O-N 3.28Å; D1363-S1366 WeakPolarHBondContact O-CB 3.46Å; D1363-S1366 PolarHBondContact O-N 2.88Å; S1366-V1369 PolarHBondContact O-N 2.97Å; S1366-G1370 PolarHBondContact O-N 3.37Å
1367	S	94.7	Very high	92.8	Very high	21 Å²	21	29.5 Å²	29.5	15%	0.147	17%	0.169	C	C	.	.	H	α-helix	trans	-56.5	-48.6	173.7	-87.6	0	0	0	0	112.1	Y1354 K1357 D1358 D1363 V1369 G1370 D1371	Y1354-S1367 VanDerWaalsContact CD1-CB 3.49Å; K1357-S1367 PolarHBondContact NZ-OG 3.29Å; D1358-S1367 PolarHBondContact OD1-OG 3.49Å; D1358-S1367 WeakPolarHBondContact OD2-CB 3.34Å; D1358-S1367 PolarHBondContact OD2-OG 2.88Å; D1363-S1367 WeakPolarHBondContact O-CB 3.3Å; D1363-S1367 PolarHBondContact O-N 3.24Å; S1367-V1369 PolarHBondContact O-N 3.13Å; S1367-G1370 PolarHBondContact O-N 2.83Å; S1367-D1371 WeakPolarHBondContact O-CB 3.4Å; S1367-D1371 VanDerWaalsContact O-CG 3.31Å; S1367-D1371 PolarHBondContact O-N 2.98Å
1368	M	95.1	Very high	93	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-58.2	-45.8	177	-76.7	176.2	-152.8	0	0	113.4	M1331 T1335 F1339 L1350 I1351 Y1354 A1364 L1365 Y1372	M1331-M1368 HydrophobicContact CE-CE 3.2Å; M1331-M1368 HydrophobicContact CE-SD 3.69Å; T1335-M1368 HydrophobicContact CG2-SD 4.24Å; F1339-M1368 HydrophobicContact CE2-CB 3.9Å; F1339-M1368 HydrophobicContact CE2-SD 4.24Å; F1339-M1368 HydrophobicContact CZ-CB 3.94Å; L1350-M1368 HydrophobicContact CD2-CG 4.25Å; L1350-M1368 HydrophobicContact CD2-SD 3.78Å; L1350-M1368 HydrophobicContact CG-CE 4.33Å; L1350-M1368 HydrophobicContact CG-CG 4.14Å; L1350-M1368 HydrophobicContact CG-SD 3.88Å; I1351-M1368 HydrophobicContact CB-CE 4.45Å; I1351-M1368 HydrophobicContact CG1-CE 4.12Å; Y1354-M1368 HydrophobicContact CD1-CG 4.05Å; Y1354-M1368 HydrophobicContact CD2-CE 3.89Å; Y1354-M1368 HydrophobicContact CD2-CG 3.37Å; Y1354-M1368 HydrophobicContact CD2-SD 4.4Å; Y1354-M1368 HydrophobicContact CE1-CG 4.28Å; Y1354-M1368 HydrophobicContact CE2-CG 3.66Å; Y1354-M1368 HydrophobicContact CG-CE 3.97Å; Y1354-M1368 HydrophobicContact CG-CG 3.59Å; A1364-M1368 VanDerWaalsContact O-CG 3.27Å; A1364-M1368 WeakPolarHBondContact O-CG 3.33Å; A1364-M1368 PolarHBondContact O-N 3.48Å; L1365-M1368 PolarHBondContact O-N 2.95Å; M1368-Y1372 WeakPolarHBondContact O-CB 3.32Å; M1368-Y1372 PolarHBondContact O-N 3.47Å
1369	V	93.9	Very high	93.1	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.1	-46.9	-178.3	169.1	0	0	0	0	110.3	Y1263 W1309 L1310 F1339 L1365 S1366 S1367 Y1373	Y1263-V1369 HydrophobicContact CE1-CG1 3.85Å; Y1263-V1369 HydrophobicContact CE1-CG2 4.15Å; W1309-V1369 HydrophobicContact CB-CG1 4.22Å; L1310-V1369 HydrophobicContact CD2-CG2 4.25Å; F1339-V1369 HydrophobicContact CZ-CG2 4.29Å; L1365-V1369 WeakPolarHBondContact O-CG2 3.45Å; L1365-V1369 PolarHBondContact O-N 3.2Å; S1366-V1369 PolarHBondContact O-N 2.97Å; S1367-V1369 PolarHBondContact O-N 3.13Å; V1369-Y1373 HydrophobicContact CG1-CD2 4.1Å; V1369-Y1373 WeakPolarHBondContact O-CB 3.19Å; V1369-Y1373 WeakPolarHBondContact O-CD2 3.42Å; V1369-Y1373 PolarHBondContact O-N 3.28Å
1370	G	94	Very high	93.2	Very high	3 Å²	3	23.7 Å²	23.7	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-58.6	-52.8	176.1	0	0	0	0	0	111.5	S1366 S1367 Y1372 F1374 T1375	S1366-G1370 PolarHBondContact O-N 3.37Å; S1367-G1370 PolarHBondContact O-N 2.83Å; G1370-Y1372 PolarHBondContact O-N 2.82Å; G1370-F1374 CarbonylContact O-C 3.58Å; G1370-F1374 WeakPolarHBondContact O-CA 3.33Å; G1370-F1374 WeakPolarHBondContact O-CB 3.41Å; G1370-F1374 PolarHBondContact O-N 3.11Å; G1370-T1375 PolarHBondContact O-N 2.9Å; G1370-T1375 PolarHBondContact O-OG1 2.09Å
1371	D	93.8	Very high	93	Very high	27 Å²	27	22.1 Å²	22.1	14%	0.144	12%	0.12	C	C	.	.	I	π-helix	trans	-66.3	-39.4	-174.5	-70.8	-24.8	0	0	0	112.6	Y1354 K1357 S1367 T1375 C1376	Y1354-D1371 HydrophobicContact CE1-CB 4.4Å; Y1354-D1371 WeakPolarHBondContact CE1-OD2 3.26Å; Y1354-D1371 WeakPolarHBondContact OH-CB 3.38Å; K1357-D1371 IonicContact NZ-OD2 2.74Å; K1357-D1371 PolarHBondContact NZ-OD2 2.93Å; S1367-D1371 WeakPolarHBondContact O-CB 3.4Å; S1367-D1371 VanDerWaalsContact O-CG 3.31Å; S1367-D1371 PolarHBondContact O-N 2.98Å; D1371-T1375 WeakPolarHBondContact CA-OG1 3.31Å; D1371-T1375 WeakPolarHBondContact OD1-CB 3.37Å; D1371-T1375 PolarHBondContact OD1-OG1 3.37Å; D1371-C1376 WeakPolarHBondContact O-CB 3.41Å; D1371-C1376 PolarHBondContact O-N 2.9Å; D1371-C1376 PolarHBondContact O-SG 3.13Å
1372	Y	92.8	Very high	92.9	Very high	90 Å²	90	21.6 Å²	21.6	35%	0.353	12%	0.118	S	C	.	.	I	π-helix	trans	-74.4	-43.9	177.9	-178.6	-106.1	0	0	0	113.9	P1211 F1339 F1341 M1368 G1370	P1211-Y1372 HydrophobicContact CG-CE1 3.75Å; F1339-Y1372 HydrophobicContact CD1-CD1 4.13Å; F1339-Y1372 HydrophobicContact CD1-CE1 4.49Å; F1339-Y1372 HydrophobicContact CD1-CG 4.47Å; F1339-Y1372 AromaticContact CE1-CD1 3.68Å; F1339-Y1372 HydrophobicContact CE1-CD1 3.68Å; F1339-Y1372 HydrophobicContact CE1-CE1 4.46Å; F1339-Y1372 AromaticContact CE1-CG 3.89Å; F1339-Y1372 HydrophobicContact CE1-CG 3.89Å; F1341-Y1372 HydrophobicContact CE1-CE1 4.03Å; F1341-Y1372 HydrophobicContact CE2-CE2 4.45Å; F1341-Y1372 HydrophobicContact CZ-CD1 4.48Å; F1341-Y1372 AromaticContact CZ-CE1 3.63Å; F1341-Y1372 HydrophobicContact CZ-CE1 3.63Å; F1341-Y1372 HydrophobicContact CZ-CE2 4.07Å; F1341-Y1372 AromaticContact CZ-CZ 3.39Å; F1341-Y1372 VanDerWaalsContact CZ-OH 3.27Å; F1341-Y1372 WeakPolarHBondContact CZ-OH 3.22Å; M1368-Y1372 WeakPolarHBondContact O-CB 3.32Å; M1368-Y1372 PolarHBondContact O-N 3.47Å; G1370-Y1372 PolarHBondContact O-N 2.82Å
1373	Y	93.5	Very high	92.7	Very high	11 Å²	11	25.4 Å²	25.4	4%	0.043	14%	0.14	C	C	.	.	I	π-helix	trans	-93.2	-16.3	-172	-69.2	-77	0	0	0	114.3	M1210 W1212 Y1263 L1264 S1338 F1339 V1369	M1210-Y1373 VanDerWaalsContact SD-O 3.35Å; W1212-Y1373 AromaticContact CD1-CD1 3.97Å; W1212-Y1373 PolarHBondContact NE1-O 2.73Å; Y1263-Y1373 AromaticContact CD1-CE2 3.73Å; Y1263-Y1373 HydrophobicContact CD1-CE2 3.73Å; Y1263-Y1373 AromaticContact CD1-CZ 3.88Å; Y1263-Y1373 HydrophobicContact CE1-CD2 4.43Å; Y1263-Y1373 AromaticContact CE1-CE2 3.89Å; Y1263-Y1373 HydrophobicContact CE1-CE2 3.89Å; Y1263-Y1373 PolarHBondContact O-OH 3.25Å; L1264-Y1373 HydrophobicContact CB-CD1 4.06Å; L1264-Y1373 HydrophobicContact CB-CE1 3.77Å; L1264-Y1373 HydrophobicContact CD1-CD1 3.91Å; L1264-Y1373 HydrophobicContact CD1-CD2 3.65Å; L1264-Y1373 HydrophobicContact CD1-CE1 4.26Å; L1264-Y1373 HydrophobicContact CD1-CE2 4.06Å; L1264-Y1373 HydrophobicContact CD1-CG 3.55Å; S1338-Y1373 PolarHBondContact O-OH 3.44Å; S1338-Y1373 VanDerWaalsContact O-OH 3.06Å; F1339-Y1373 HydrophobicContact CE1-CD2 4.49Å; F1339-Y1373 AromaticContact CE1-CE2 3.91Å; F1339-Y1373 HydrophobicContact CE1-CE2 3.91Å; V1369-Y1373 HydrophobicContact CG1-CD2 4.1Å; V1369-Y1373 WeakPolarHBondContact O-CB 3.19Å; V1369-Y1373 WeakPolarHBondContact O-CD2 3.42Å; V1369-Y1373 PolarHBondContact O-N 3.28Å
1374	F	94.1	Very high	92.4	Very high	1 Å²	1	31 Å²	31	0%	0.004	16%	0.158	C	C	.	.	I	π-helix	trans	-138.2	-54.6	-173.1	-56.1	-75.4	0	0	0	114.3	S1205 M1210 W1212 L1264 E1305 W1309 G1370 V1378 H1414	S1205-F1374 WeakPolarHBondContact O-CD1 3.11Å; M1210-F1374 WeakPolarHBondContact CE-O 3.37Å; W1212-F1374 AromaticContact CE2-CE1 3.72Å; W1212-F1374 HydrophobicContact CZ2-CD1 4.16Å; W1212-F1374 AromaticContact CZ2-CE1 3.8Å; W1212-F1374 HydrophobicContact CZ2-CE1 3.8Å; W1212-F1374 AromaticContact NE1-CD1 3.9Å; W1212-F1374 AromaticContact NE1-CE1 3.39Å; W1212-F1374 AromaticContact NE1-CZ 3.81Å; L1264-F1374 HydrophobicContact CD1-CE2 3.82Å; L1264-F1374 HydrophobicContact CD1-CZ 4.01Å; L1264-F1374 HydrophobicContact CD2-CZ 4.37Å; E1305-F1374 HydrophobicContact CB-CB 3.84Å; E1305-F1374 HydrophobicContact CB-CD2 4.19Å; E1305-F1374 HydrophobicContact CB-CG 4.26Å; E1305-F1374 HydrophobicContact CG-CB 3.86Å; W1309-F1374 AromaticContact CD1-CE2 3.47Å; W1309-F1374 VanDerWaalsContact CD1-CE2 3.47Å; W1309-F1374 AromaticContact CD1-CZ 3.96Å; W1309-F1374 AromaticContact CE2-CZ 3.66Å; W1309-F1374 HydrophobicContact CG-CE2 4.4Å; W1309-F1374 AromaticContact CZ2-CZ 3.95Å; W1309-F1374 HydrophobicContact CZ2-CZ 3.95Å; W1309-F1374 AromaticContact NE1-CE2 3.18Å; W1309-F1374 AromaticContact NE1-CZ 3.21Å; G1370-F1374 CarbonylContact O-C 3.58Å; G1370-F1374 WeakPolarHBondContact O-CA 3.33Å; G1370-F1374 WeakPolarHBondContact O-CB 3.41Å; G1370-F1374 PolarHBondContact O-N 3.11Å; F1374-V1378 WeakPolarHBondContact O-CG2 3.49Å; F1374-V1378 PolarHBondContact O-N 3.41Å; F1374-H1414 AromaticContact CD1-CE1 3.41Å; F1374-H1414 VanDerWaalsContact CD1-CE1 3.41Å; F1374-H1414 WeakPolarHBondContact CD1-CE1 3.29Å; F1374-H1414 AromaticContact CD1-ND1 3.8Å; F1374-H1414 AromaticContact CE1-CE1 3.24Å; F1374-H1414 WeakPolarHBondContact CE1-CE1 2.9Å; F1374-H1414 AromaticContact CE1-ND1 3.88Å; F1374-H1414 AromaticContact CE1-NE2 3.78Å; F1374-H1414 AromaticContact CZ-CE1 3.96Å
1375	T	93.1	Very high	92.1	Very high	12 Å²	12	31.6 Å²	31.6	7%	0.074	16%	0.162	C	C	.	.	I	π-helix	trans	-67.4	-54.6	-172.8	-33.4	0	0	0	0	112.3	Y1301 G1370 D1371 G1377 V1378 I1379	Y1301-T1375 HydrophobicContact CD2-CG2 3.59Å; Y1301-T1375 HydrophobicContact CE2-CG2 3.53Å; Y1301-T1375 HydrophobicContact CG-CG2 4.38Å; G1370-T1375 PolarHBondContact O-N 2.9Å; G1370-T1375 PolarHBondContact O-OG1 2.09Å; D1371-T1375 WeakPolarHBondContact CA-OG1 3.31Å; D1371-T1375 WeakPolarHBondContact OD1-CB 3.37Å; D1371-T1375 PolarHBondContact OD1-OG1 3.37Å; T1375-G1377 PolarHBondContact O-N 3.34Å; T1375-V1378 PolarHBondContact O-N 3.23Å; T1375-V1378 VanDerWaalsContact O-N 3.16Å; T1375-I1379 HydrophobicContact CG2-CD1 3.86Å; T1375-I1379 WeakPolarHBondContact O-CG1 3.43Å; T1375-I1379 PolarHBondContact O-N 3.41Å
1376	C	92.9	Very high	91.8	Very high	69 Å²	69	34.7 Å²	34.7	47%	0.466	18%	0.183	S	C	.	.	H	α-helix	trans	-65.9	-36.9	-169.2	-71.3	0	0	0	0	112.9	D1371 V1378 I1379 D1380	D1371-C1376 WeakPolarHBondContact O-CB 3.41Å; D1371-C1376 PolarHBondContact O-N 2.9Å; D1371-C1376 PolarHBondContact O-SG 3.13Å; C1376-V1378 VanDerWaalsContact C-N 3.35Å; C1376-I1379 PolarHBondContact O-N 3.06Å; C1376-D1380 VanDerWaalsContact O-CB 3.3Å; C1376-D1380 WeakPolarHBondContact O-CB 3.28Å; C1376-D1380 PolarHBondContact O-N 2.88Å
1377	G	90.7	Very high	91.4	Very high	10 Å²	10	38.6 Å²	38.6	10%	0.103	21%	0.211	C	C	.	.	H	α-helix	trans	-77	-16.8	178.2	0	0	0	0	0	114.6	M1210 T1375 L1381	M1210-G1377 VanDerWaalsContact CE-C 3.44Å; M1210-G1377 VanDerWaalsContact CE-CA 3.4Å; T1375-G1377 PolarHBondContact O-N 3.34Å; G1377-L1381 WeakPolarHBondContact O-CB 3.29Å; G1377-L1381 PolarHBondContact O-N 2.75Å
1378	V	92.4	Very high	90.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-79.9	-39.7	167.1	172.8	0	0	0	0	110	M1210 L1299 Y1301 F1374 T1375 C1376 L1381 A1382	M1210-V1378 HydrophobicContact CE-CG2 3.99Å; L1299-V1378 HydrophobicContact CB-CG1 4.33Å; Y1301-V1378 HydrophobicContact CD1-CG1 3.88Å; F1374-V1378 WeakPolarHBondContact O-CG2 3.49Å; F1374-V1378 PolarHBondContact O-N 3.41Å; T1375-V1378 PolarHBondContact O-N 3.23Å; T1375-V1378 VanDerWaalsContact O-N 3.16Å; C1376-V1378 VanDerWaalsContact C-N 3.35Å; V1378-L1381 PolarHBondContact O-N 2.95Å; V1378-A1382 WeakPolarHBondContact O-CB 3.45Å; V1378-A1382 PolarHBondContact O-N 3.12Å
1379	I	92	Very high	90.3	Very high	66 Å²	66	43.3 Å²	43.3	34%	0.338	23%	0.229	S	C	.	.	H	α-helix	trans	-66.8	-45.1	175.2	-67.2	172.6	0	0	0	111.8	Y1301 T1375 C1376 L1381 A1382 N1383	Y1301-I1379 HydrophobicContact CE1-CG1 4.24Å; T1375-I1379 HydrophobicContact CG2-CD1 3.86Å; T1375-I1379 WeakPolarHBondContact O-CG1 3.43Å; T1375-I1379 PolarHBondContact O-N 3.41Å; C1376-I1379 PolarHBondContact O-N 3.06Å; I1379-L1381 VanDerWaalsContact C-N 3.31Å; I1379-L1381 PolarHBondContact O-N 3.2Å; I1379-A1382 WeakPolarHBondContact O-CB 3.42Å; I1379-A1382 PolarHBondContact O-N 3.02Å; I1379-N1383 PolarHBondContact O-N 2.94Å; I1379-N1383 PolarHBondContact O-ND2 2.79Å; I1379-N1383 VanDerWaalsContact O-ND2 3.15Å
1380	D	89.9	Confident	89.6	Confident	56 Å²	56	48.8 Å²	48.8	30%	0.299	26%	0.264	S	S	.	.	H	α-helix	trans	-60.8	-40.8	173.8	178.7	41.7	0	0	0	111.4	C1376 N1383 R1384	C1376-D1380 VanDerWaalsContact O-CB 3.3Å; C1376-D1380 WeakPolarHBondContact O-CB 3.28Å; C1376-D1380 PolarHBondContact O-N 2.88Å; D1380-N1383 PolarHBondContact O-N 3Å; D1380-R1384 WeakPolarHBondContact O-CB 3.39Å; D1380-R1384 VanDerWaalsContact O-CG 3.25Å; D1380-R1384 WeakPolarHBondContact O-CG 3.5Å; D1380-R1384 PolarHBondContact O-N 3.4Å; D1380-R1384 IonicContact OD1-CZ 2.72Å; D1380-R1384 IonicContact OD1-NE 3.18Å; D1380-R1384 PolarHBondContact OD1-NE 2.85Å; D1380-R1384 IonicContact OD1-NH2 3.42Å; D1380-R1384 PolarHBondContact OD1-NH2 3.14Å; D1380-R1384 IonicContact OD2-CZ 3.39Å; D1380-R1384 IonicContact OD2-NE 2.72Å; D1380-R1384 PolarHBondContact OD2-NE 2.89Å; D1380-R1384 IonicContact OD2-NH2 3.22Å; D1380-R1384 PolarHBondContact OD2-NH2 2.88Å
1381	L	88.9	Confident	89.3	Confident	7 Å²	7	51.7 Å²	51.7	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-62	-44.9	172.7	174.2	60.4	0	0	0	112.1	M1186 V1203 L1299 G1377 V1378 I1379 N1383 R1384 L1385	M1186-L1381 HydrophobicContact CE-CD1 3.38Å; M1186-L1381 HydrophobicContact CE-CD2 3.82Å; M1186-L1381 HydrophobicContact CE-CG 4.25Å; M1186-L1381 HydrophobicContact CG-CD2 4.16Å; M1186-L1381 HydrophobicContact SD-CD1 4.17Å; M1186-L1381 HydrophobicContact SD-CD2 3.63Å; V1203-L1381 HydrophobicContact CG1-CD2 4.24Å; L1299-L1381 HydrophobicContact CD2-CD2 3.77Å; L1299-L1381 HydrophobicContact CD2-CG 4.18Å; G1377-L1381 WeakPolarHBondContact O-CB 3.29Å; G1377-L1381 PolarHBondContact O-N 2.75Å; V1378-L1381 PolarHBondContact O-N 2.95Å; I1379-L1381 VanDerWaalsContact C-N 3.31Å; I1379-L1381 PolarHBondContact O-N 3.2Å; L1381-N1383 PolarHBondContact O-N 2.97Å; L1381-R1384 PolarHBondContact O-N 3.33Å; L1381-L1385 HydrophobicContact CD1-CD1 3.63Å; L1381-L1385 HydrophobicContact CD1-CG 3.81Å; L1381-L1385 HydrophobicContact CG-CD1 3.83Å; L1381-L1385 HydrophobicContact CG-CG 4.4Å; L1381-L1385 WeakPolarHBondContact O-CB 3.4Å; L1381-L1385 WeakPolarHBondContact O-CG 3.34Å; L1381-L1385 PolarHBondContact O-N 3.05Å
1382	A	90.6	Very high	89.2	Confident	11 Å²	11	51.5 Å²	51.5	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-57.1	-49.4	176.6	0	0	0	0	0	111.5	L1299 V1378 I1379 R1384 L1385 S1386 V1394	L1299-A1382 VanDerWaalsContact CD1-CA 3.46Å; L1299-A1382 HydrophobicContact CD1-CB 3.53Å; V1378-A1382 WeakPolarHBondContact O-CB 3.45Å; V1378-A1382 PolarHBondContact O-N 3.12Å; I1379-A1382 WeakPolarHBondContact O-CB 3.42Å; I1379-A1382 PolarHBondContact O-N 3.02Å; A1382-R1384 PolarHBondContact O-N 2.91Å; A1382-L1385 PolarHBondContact O-N 2.6Å; A1382-S1386 WeakPolarHBondContact O-CB 3.37Å; A1382-S1386 PolarHBondContact O-N 2.81Å; A1382-S1386 PolarHBondContact O-OG 3.42Å; A1382-S1386 VanDerWaalsContact O-OG 3.05Å; A1382-V1394 HydrophobicContact CB-CG2 3.9Å
1383	N	89.1	Confident	89.2	Confident	102 Å²	102	53 Å²	53	55%	0.545	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-38.7	179	-69.1	-34.7	0	0	0	112.7	I1379 D1380 L1381 S1386 S1387	I1379-N1383 PolarHBondContact O-N 2.94Å; I1379-N1383 PolarHBondContact O-ND2 2.79Å; I1379-N1383 VanDerWaalsContact O-ND2 3.15Å; D1380-N1383 PolarHBondContact O-N 3Å; L1381-N1383 PolarHBondContact O-N 2.97Å; N1383-S1386 PolarHBondContact O-OG 3.44Å; N1383-S1387 PolarHBondContact O-N 2.89Å
1384	R	86	Confident	89.2	Confident	154 Å²	154	56 Å²	56	58%	0.581	30%	0.304	S	S	*	.	H	α-helix	trans	-69.3	-40.1	176.2	-71.4	172.9	-164.1	-126	13.7	112.3	D1380 L1381 A1382 S1387	D1380-R1384 WeakPolarHBondContact O-CB 3.39Å; D1380-R1384 VanDerWaalsContact O-CG 3.25Å; D1380-R1384 WeakPolarHBondContact O-CG 3.5Å; D1380-R1384 PolarHBondContact O-N 3.4Å; D1380-R1384 IonicContact OD1-CZ 2.72Å; D1380-R1384 IonicContact OD1-NE 3.18Å; D1380-R1384 PolarHBondContact OD1-NE 2.85Å; D1380-R1384 IonicContact OD1-NH2 3.42Å; D1380-R1384 PolarHBondContact OD1-NH2 3.14Å; D1380-R1384 IonicContact OD2-CZ 3.39Å; D1380-R1384 IonicContact OD2-NE 2.72Å; D1380-R1384 PolarHBondContact OD2-NE 2.89Å; D1380-R1384 IonicContact OD2-NH2 3.22Å; D1380-R1384 PolarHBondContact OD2-NH2 2.88Å; L1381-R1384 PolarHBondContact O-N 3.33Å; A1382-R1384 PolarHBondContact O-N 2.91Å; R1384-S1387 PolarHBondContact O-OG 2.67Å
1385	L	88.3	Confident	89.1	Confident	14 Å²	14	57.9 Å²	57.9	7%	0.073	31%	0.312	C	S	.	.	H	α-helix	trans	-70.8	-49.2	179.4	-74.1	172.4	0	0	0	111.9	I1291 I1297 L1299 L1381 A1382 S1387 K1388 N1389 V1392	I1291-L1385 HydrophobicContact CB-CD2 4.33Å; I1291-L1385 HydrophobicContact CD1-CD2 3.93Å; I1297-L1385 HydrophobicContact CD1-CD1 3.7Å; I1297-L1385 HydrophobicContact CD1-CD2 3.84Å; I1297-L1385 HydrophobicContact CD1-CG 4.35Å; I1297-L1385 HydrophobicContact CG2-CD1 4.25Å; L1299-L1385 HydrophobicContact CD1-CD1 4.25Å; L1381-L1385 HydrophobicContact CD1-CD1 3.63Å; L1381-L1385 HydrophobicContact CD1-CG 3.81Å; L1381-L1385 HydrophobicContact CG-CD1 3.83Å; L1381-L1385 HydrophobicContact CG-CG 4.4Å; L1381-L1385 WeakPolarHBondContact O-CB 3.4Å; L1381-L1385 WeakPolarHBondContact O-CG 3.34Å; L1381-L1385 PolarHBondContact O-N 3.05Å; A1382-L1385 PolarHBondContact O-N 2.6Å; L1385-S1387 PolarHBondContact O-N 3.07Å; L1385-K1388 PolarHBondContact O-N 3.18Å; L1385-N1389 WeakPolarHBondContact O-CB 3.27Å; L1385-N1389 PolarHBondContact O-N 2.58Å; L1385-V1392 HydrophobicContact CB-CG1 4.1Å; L1385-V1392 HydrophobicContact CB-CG2 3.82Å
1386	S	89	Confident	89.1	Confident	65 Å²	65	62.6 Å²	62.6	46%	0.455	33%	0.33	S	S	.	.	H	α-helix	trans	-60.9	-27.8	-177.7	63.5	0	0	0	0	113	A1382 N1383 K1388 N1389	A1382-S1386 WeakPolarHBondContact O-CB 3.37Å; A1382-S1386 PolarHBondContact O-N 2.81Å; A1382-S1386 PolarHBondContact O-OG 3.42Å; A1382-S1386 VanDerWaalsContact O-OG 3.05Å; N1383-S1386 PolarHBondContact O-OG 3.44Å; S1386-K1388 PolarHBondContact O-N 3.35Å; S1386-K1388 VanDerWaalsContact O-N 3.16Å; S1386-N1389 WeakPolarHBondContact CA-O 3.35Å
1387	S	84.7	Confident	89.2	Confident	90 Å²	90	59.7 Å²	59.7	63%	0.629	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.8	173.5	77.9	0	0	0	0	115.2	N1383 R1384 L1385	N1383-S1387 PolarHBondContact O-N 2.89Å; R1384-S1387 PolarHBondContact O-OG 2.67Å; L1385-S1387 PolarHBondContact O-N 3.07Å
1388	K	82.3	Confident	89.3	Confident	114 Å²	114	63.8 Å²	63.8	50%	0.496	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-10.7	-179.9	-58.6	-171.9	-169.9	179.2	0	114.3	Q1289 G1290 I1291 L1385 S1386	Q1289-K1388 PolarHBondContact O-NZ 2.82Å; G1290-K1388 PolarHBondContact O-NZ 2.96Å; I1291-K1388 PolarHBondContact O-NZ 2.92Å; L1385-K1388 PolarHBondContact O-N 3.18Å; S1386-K1388 PolarHBondContact O-N 3.35Å; S1386-K1388 VanDerWaalsContact O-N 3.16Å
1389	N	84.2	Confident	89.3	Confident	8 Å²	8	66.2 Å²	66.2	4%	0.043	34%	0.338	C	S	.	.			trans	-143.5	116.1	-169.5	-180	14.7	0	0	0	109.5	V1294 V1295 L1385 S1386 D1391 V1392	V1294-N1389 HydrophobicContact CG1-CB 4.48Å; V1295-N1389 PolarHBondContact O-ND2 3.26Å; L1385-N1389 WeakPolarHBondContact O-CB 3.27Å; L1385-N1389 PolarHBondContact O-N 2.58Å; S1386-N1389 WeakPolarHBondContact CA-O 3.35Å; N1389-D1391 VanDerWaalsContact C-N 3.28Å; N1389-D1391 PolarHBondContact O-N 3.32Å; N1389-D1391 PolarHBondContact OD1-N 2.85Å; N1389-V1392 HydrophobicContact CB-CG2 3.83Å; N1389-V1392 WeakPolarHBondContact O-CG2 3.31Å
1390	P	79	Confident	89.2	Confident	114 Å²	114	65.5 Å²	65.5	74%	0.74	33%	0.331	S	S	*	.	S	Bend	trans	-69.6	-26.8	179.4	29.6	-34.5	0	0	0	112.5	V1392	P1390-V1392 PolarHBondContact O-N 3.48Å
1391	D	88.6	Confident	88.9	Confident	64 Å²	64	63 Å²	63	34%	0.342	32%	0.318	S	S	.	.			trans	-86.5	44.1	-171.4	-54.5	-50.7	0	0	0	112.4	P1296 I1297 N1389 Y1393	P1296-D1391 WeakPolarHBondContact CA-O 3.16Å; P1296-D1391 HydrophobicContact CB-CB 4.05Å; P1296-D1391 HydrophobicContact CG-CB 4.15Å; I1297-D1391 PolarHBondContact N-O 2.95Å; N1389-D1391 VanDerWaalsContact C-N 3.28Å; N1389-D1391 PolarHBondContact O-N 3.32Å; N1389-D1391 PolarHBondContact OD1-N 2.85Å; D1391-Y1393 HydrophobicContact CB-CE2 4.35Å
1392	V	91.2	Very high	88.5	Confident	24 Å²	24	69.7 Å²	69.7	15%	0.145	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	106.7	-178.7	179.3	0	0	0	0	109.4	I1297 L1299 L1385 N1389 P1390	I1297-V1392 WeakPolarHBondContact O-CA 3.32Å; L1299-V1392 HydrophobicContact CD1-CG1 3.91Å; L1385-V1392 HydrophobicContact CB-CG1 4.1Å; L1385-V1392 HydrophobicContact CB-CG2 3.82Å; N1389-V1392 HydrophobicContact CB-CG2 3.83Å; N1389-V1392 WeakPolarHBondContact O-CG2 3.31Å; P1390-V1392 PolarHBondContact O-N 3.48Å
1393	Y	92.9	Very high	87.9	Confident	121 Å²	121	72.5 Å²	72.5	48%	0.475	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	147.6	-179.1	-59.2	-92.6	0	0	0	109.8	I1297 L1299 D1391 F1452	I1297-Y1393 PolarHBondContact O-N 3.33Å; L1299-Y1393 PolarHBondContact N-O 2.87Å; D1391-Y1393 HydrophobicContact CB-CE2 4.35Å; Y1393-F1452 HydrophobicContact CD2-CD2 4.13Å; Y1393-F1452 AromaticContact CD2-CE2 3.88Å; Y1393-F1452 HydrophobicContact CD2-CE2 3.88Å; Y1393-F1452 HydrophobicContact CE2-CE2 4.34Å
1394	V	92.7	Very high	87.3	Confident	75 Å²	75	68 Å²	68	46%	0.455	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	136.1	175.7	-169.7	0	0	0	0	108.9	L1299 Y1301 A1382	L1299-V1394 HydrophobicContact CB-CG1 4.39Å; L1299-V1394 HydrophobicContact CB-CG2 4.28Å; L1299-V1394 HydrophobicContact CD1-CG2 4.26Å; L1299-V1394 CarbonylContact O-C 3.58Å; L1299-V1394 WeakPolarHBondContact O-CA 3.49Å; Y1301-V1394 HydrophobicContact CD1-CG1 4.34Å; Y1301-V1394 HydrophobicContact CE1-CG1 3.85Å; A1382-V1394 HydrophobicContact CB-CG2 3.9Å
1395	F	92.8	Very high	86.9	Confident	39 Å²	39	62.7 Å²	62.7	17%	0.171	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	148.6	165	77.9	-89.1	0	0	0	111.8	L1204 L1298 L1299 G1300 Y1301 F1397 E1417 W1449	L1204-F1395 HydrophobicContact CD2-CE1 3.55Å; L1204-F1395 HydrophobicContact CD2-CZ 3.64Å; L1298-F1395 HydrophobicContact CD1-CD1 3.98Å; L1298-F1395 HydrophobicContact CD2-CD1 4.41Å; L1298-F1395 HydrophobicContact CD2-CE1 4.44Å; L1298-F1395 HydrophobicContact CG-CD1 4.13Å; L1298-F1395 HydrophobicContact CG-CE1 4.35Å; L1299-F1395 VanDerWaalsContact O-CD1 3.28Å; L1299-F1395 WeakPolarHBondContact O-CD1 3.35Å; L1299-F1395 PolarHBondContact O-N 3.14Å; G1300-F1395 VanDerWaalsContact CA-CE1 3.47Å; Y1301-F1395 PolarHBondContact N-O 3Å; F1395-F1397 HydrophobicContact CD2-CB 4.22Å; F1395-F1397 HydrophobicContact CE2-CB 4.01Å; F1395-F1397 HydrophobicContact CE2-CD2 4.39Å; F1395-E1417 HydrophobicContact CE2-CG 4.31Å; F1395-E1417 HydrophobicContact CZ-CG 4.2Å; F1395-W1449 HydrophobicContact CE1-CZ2 4.07Å; F1395-W1449 AromaticContact CZ-CZ2 3.89Å; F1395-W1449 HydrophobicContact CZ-CZ2 3.89Å
1396	Y	93.8	Very high	86.7	Confident	112 Å²	112	62.3 Å²	62.3	44%	0.439	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.3	172.6	176.9	-125.4	0	0	0	108.1	Y1301 E1303 N1398	Y1301-Y1396 AromaticContact CD2-CD2 3.75Å; Y1301-Y1396 HydrophobicContact CD2-CD2 3.75Å; Y1301-Y1396 HydrophobicContact CD2-CE2 4.15Å; Y1301-Y1396 AromaticContact CE2-CD2 3.31Å; Y1301-Y1396 HydrophobicContact CE2-CD2 3.31Å; Y1301-Y1396 AromaticContact CE2-CE2 3.71Å; Y1301-Y1396 HydrophobicContact CE2-CE2 3.71Å; Y1301-Y1396 HydrophobicContact CE2-CG 4.33Å; Y1301-Y1396 AromaticContact CZ-CD2 3.92Å; Y1301-Y1396 WeakPolarHBondContact O-CA 3.49Å; E1303-Y1396 HydrophobicContact CB-CE2 4.03Å; E1303-Y1396 VanDerWaalsContact CG-OH 3.25Å; E1303-Y1396 WeakPolarHBondContact CG-OH 3.43Å; E1303-Y1396 PolarHBondContact OE1-OH 3.22Å; Y1396-N1398 HydrophobicContact CD1-CB 4.48Å; Y1396-N1398 HydrophobicContact CE1-CB 4.13Å
1397	F	93.9	Very high	86.6	Confident	7 Å²	7	60.2 Å²	60.2	3%	0.031	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	111.9	-174.1	-167.9	-89.9	0	0	0	112.3	Y1301 N1302 E1303 F1395 Y1399 A1412 E1417 F1420 M1441 V1445	Y1301-F1397 PolarHBondContact O-N 2.89Å; N1302-F1397 CarbonylContact C-O 3.55Å; N1302-F1397 WeakPolarHBondContact CA-O 3.27Å; N1302-F1397 WeakPolarHBondContact OD1-CD1 3.42Å; E1303-F1397 PolarHBondContact N-O 2.96Å; F1395-F1397 HydrophobicContact CD2-CB 4.22Å; F1395-F1397 HydrophobicContact CE2-CB 4.01Å; F1395-F1397 HydrophobicContact CE2-CD2 4.39Å; F1397-Y1399 WeakPolarHBondContact CE1-O 3.24Å; F1397-A1412 HydrophobicContact CD1-CB 4.11Å; F1397-A1412 HydrophobicContact CE1-CB 4.43Å; F1397-A1412 WeakPolarHBondContact O-CB 3.24Å; F1397-E1417 HydrophobicContact CB-CB 4.33Å; F1397-E1417 HydrophobicContact CD1-CB 3.83Å; F1397-E1417 HydrophobicContact CD2-CB 3.7Å; F1397-E1417 HydrophobicContact CE1-CB 4.04Å; F1397-E1417 HydrophobicContact CE2-CB 3.91Å; F1397-E1417 HydrophobicContact CG-CB 3.67Å; F1397-E1417 HydrophobicContact CZ-CB 4.11Å; F1397-F1420 HydrophobicContact CE1-CD2 4.27Å; F1397-F1420 HydrophobicContact CE1-CE2 4.2Å; F1397-F1420 HydrophobicContact CE2-CD2 4.23Å; F1397-F1420 AromaticContact CZ-CD2 3.46Å; F1397-F1420 HydrophobicContact CZ-CD2 3.46Å; F1397-F1420 VanDerWaalsContact CZ-CD2 3.46Å; F1397-F1420 AromaticContact CZ-CE2 3.65Å; F1397-F1420 HydrophobicContact CZ-CE2 3.65Å; F1397-F1420 HydrophobicContact CZ-CG 4.29Å; F1397-M1441 HydrophobicContact CD2-CE 4.22Å; F1397-M1441 HydrophobicContact CE2-CE 3.48Å; F1397-M1441 VanDerWaalsContact CE2-CE 3.48Å; F1397-M1441 HydrophobicContact CZ-CE 4.08Å; F1397-V1445 HydrophobicContact CE2-CG2 4.24Å
1398	N	93.7	Very high	86.6	Confident	97 Å²	97	63.8 Å²	63.8	52%	0.519	31%	0.306	S	S	.	.			trans	-128.7	31.8	-171.9	66.7	-19.4	0	0	0	113.1	E1303 Y1396	E1303-N1398 HydrophobicContact CB-CB 4.1Å; E1303-N1398 VanDerWaalsContact OE2-CB 3.26Å; E1303-N1398 WeakPolarHBondContact OE2-CB 3.39Å; Y1396-N1398 HydrophobicContact CD1-CB 4.48Å; Y1396-N1398 HydrophobicContact CE1-CB 4.13Å
1399	Y	92.4	Very high	86.9	Confident	50 Å²	50	59.9 Å²	59.9	20%	0.196	29%	0.288	C	S	.	.			trans	-118.9	110.1	179.4	-176.5	-92.5	0	0	0	112.5	F1397 F1420 I1437 D1438 M1441	F1397-Y1399 WeakPolarHBondContact CE1-O 3.24Å; Y1399-F1420 AromaticContact CD1-CE1 3.85Å; Y1399-F1420 HydrophobicContact CD1-CE1 3.85Å; Y1399-F1420 HydrophobicContact CD1-CE2 4.08Å; Y1399-F1420 AromaticContact CD1-CZ 3.41Å; Y1399-F1420 HydrophobicContact CD1-CZ 3.41Å; Y1399-F1420 VanDerWaalsContact CD1-CZ 3.41Å; Y1399-F1420 AromaticContact CE1-CE1 3.73Å; Y1399-F1420 HydrophobicContact CE1-CE1 3.73Å; Y1399-F1420 AromaticContact CE1-CZ 3.52Å; Y1399-F1420 HydrophobicContact CE1-CZ 3.52Å; Y1399-I1437 HydrophobicContact CE2-CG2 3.92Å; Y1399-I1437 WeakPolarHBondContact OH-CG2 3.49Å; Y1399-D1438 PolarHBondContact OH-OD1 3.41Å; Y1399-M1441 HydrophobicContact CD1-CB 4.22Å; Y1399-M1441 HydrophobicContact CD1-CG 3.71Å; Y1399-M1441 HydrophobicContact CE1-CB 4.19Å; Y1399-M1441 HydrophobicContact CE1-CG 4.2Å; Y1399-M1441 HydrophobicContact CG-CE 4.43Å; Y1399-M1441 HydrophobicContact CG-CG 4.1Å; Y1399-M1441 HydrophobicContact CG-SD 4.36Å
1400	R	89.3	Confident	87.1	Confident	52 Å²	52	59.6 Å²	59.6	20%	0.196	29%	0.287	C	S	.	.			trans	-84.9	118.1	172.5	-173.5	-174.1	173.5	-66.3	-0.3	111	N1404 W1406 G1411	R1400-N1404 HydrophobicContact CG-CB 4.31Å; R1400-N1404 PolarHBondContact NH2-O 3Å; R1400-W1406 PolarHBondContact NH2-O 3.34Å; R1400-G1411 WeakPolarHBondContact CB-O 3.41Å; R1400-G1411 WeakPolarHBondContact CD-O 3.2Å; R1400-G1411 VanDerWaalsContact CG-O 3.22Å; R1400-G1411 WeakPolarHBondContact CG-O 3.37Å
1401	S	83.7	Confident	87.7	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.014	26%	0.258	C	S	.	.			trans	-50.9	136.3	169.9	173.3	0	0	0	0	112.1	W1403 N1404 E1419 D1438	S1401-W1403 PolarHBondContact O-N 3.03Å; S1401-W1403 PolarHBondContact OG-N 3.47Å; S1401-N1404 WeakPolarHBondContact O-CB 3.26Å; S1401-N1404 PolarHBondContact O-N 3.45Å; S1401-N1404 VanDerWaalsContact O-N 3.17Å; S1401-E1419 WeakPolarHBondContact CB-OE1 3.4Å; S1401-E1419 PolarHBondContact OG-OE2 2.87Å; S1401-D1438 WeakPolarHBondContact CA-OD1 3.42Å
1402	K	80.9	Confident	87.8	Confident	148 Å²	148	51.9 Å²	51.9	64%	0.643	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.8	172.9	-82.4	-169.4	170.4	-170.3	0	113.6	T1435 D1438	K1402-T1435 HydrophobicContact CB-CG2 3.86Å; K1402-T1435 HydrophobicContact CD-CG2 3.99Å; K1402-D1438 PolarHBondContact N-OD1 3.46Å
1403	W	76.5	Confident	87.9	Confident	70 Å²	70	50.8 Å²	50.8	27%	0.265	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-13.5	173	177.8	60.5	0	0	0	113.3	M1065 S1401 P1405 Y1430 N1433	M1065-W1403 HydrophobicContact CE-CH2 4.01Å; M1065-W1403 HydrophobicContact CE-CZ3 3.72Å; S1401-W1403 PolarHBondContact O-N 3.03Å; S1401-W1403 PolarHBondContact OG-N 3.47Å; W1403-P1405 WeakPolarHBondContact O-CD 3.22Å; W1403-P1405 VanDerWaalsContact O-N 3.15Å; W1403-Y1430 HydrophobicContact CD2-CD1 4.45Å; W1403-Y1430 HydrophobicContact CE3-CD1 4.3Å; W1403-Y1430 AromaticContact CH2-CD1 3.92Å; W1403-Y1430 HydrophobicContact CH2-CD1 3.92Å; W1403-Y1430 AromaticContact CH2-CE1 3.51Å; W1403-Y1430 HydrophobicContact CH2-CE1 3.51Å; W1403-Y1430 HydrophobicContact CZ2-CD1 4.03Å; W1403-Y1430 AromaticContact CZ2-CE1 3.85Å; W1403-Y1430 HydrophobicContact CZ2-CE1 3.85Å; W1403-Y1430 HydrophobicContact CZ3-CD1 4.04Å; W1403-Y1430 AromaticContact CZ3-CE1 3.93Å; W1403-Y1430 HydrophobicContact CZ3-CE1 3.93Å; W1403-N1433 HydrophobicContact CG-CB 4.11Å
1404	N	76.7	Confident	87.9	Confident	7 Å²	7	45.4 Å²	45.4	4%	0.037	22%	0.215	C	C	.	.			trans	-54	120.2	178.1	-179.5	-10.2	0	0	0	110.4	R1400 S1401 W1406 Y1416	R1400-N1404 HydrophobicContact CG-CB 4.31Å; R1400-N1404 PolarHBondContact NH2-O 3Å; S1401-N1404 WeakPolarHBondContact O-CB 3.26Å; S1401-N1404 PolarHBondContact O-N 3.45Å; S1401-N1404 VanDerWaalsContact O-N 3.17Å; N1404-W1406 WeakPolarHBondContact OD1-CB 3.19Å; N1404-W1406 VanDerWaalsContact OD1-CD1 3.24Å; N1404-W1406 PolarHBondContact OD1-N 3.33Å; N1404-Y1416 HydrophobicContact CB-CE1 4.35Å; N1404-Y1416 WeakPolarHBondContact ND2-CE1 3.38Å
1405	P	79.2	Confident	87.7	Confident	44 Å²	44	41.9 Å²	41.9	29%	0.286	19%	0.194	S	C	.	.			trans	-83.7	-10.2	-174.2	34.3	-37.7	0	0	0	114.3	F1060 G1062 W1403	F1060-P1405 HydrophobicContact CE2-CB 4.13Å; F1060-P1405 WeakPolarHBondContact CE2-O 3.33Å; F1060-P1405 HydrophobicContact CZ-CB 4.09Å; F1060-P1405 HydrophobicContact CZ-CG 4.13Å; F1060-P1405 WeakPolarHBondContact CZ-O 3.49Å; G1062-P1405 VanDerWaalsContact CA-CG 3.49Å; W1403-P1405 WeakPolarHBondContact O-CD 3.22Å; W1403-P1405 VanDerWaalsContact O-N 3.15Å
1406	W	83.5	Confident	87.5	Confident	5 Å²	5	40.3 Å²	40.3	2%	0.019	19%	0.187	C	C	.	.	S	Bend	trans	-68.9	156.5	176.4	-67.5	96.2	0	0	0	111	F1060 T1063 Y1308 P1311 R1400 N1404 M1410 M1413 Y1416	F1060-W1406 AromaticContact CE1-CD2 3.54Å; F1060-W1406 HydrophobicContact CE1-CD2 3.54Å; F1060-W1406 AromaticContact CE1-CE2 3.7Å; F1060-W1406 AromaticContact CE1-CE3 3.66Å; F1060-W1406 HydrophobicContact CE1-CE3 3.66Å; F1060-W1406 HydrophobicContact CE1-CG 4.09Å; F1060-W1406 HydrophobicContact CE1-CH2 4.14Å; F1060-W1406 HydrophobicContact CE1-CZ2 4Å; F1060-W1406 AromaticContact CE1-CZ3 3.97Å; F1060-W1406 HydrophobicContact CE1-CZ3 3.97Å; F1060-W1406 HydrophobicContact CZ-CB 4.48Å; F1060-W1406 AromaticContact CZ-CD2 3.96Å; F1060-W1406 HydrophobicContact CZ-CD2 3.96Å; F1060-W1406 HydrophobicContact CZ-CE3 4.19Å; F1060-W1406 HydrophobicContact CZ-CG 4.06Å; T1063-W1406 HydrophobicContact CG2-CH2 3.64Å; T1063-W1406 HydrophobicContact CG2-CZ2 3.57Å; Y1308-W1406 HydrophobicContact CD2-CH2 4.39Å; Y1308-W1406 HydrophobicContact CD2-CZ2 4.09Å; Y1308-W1406 HydrophobicContact CE2-CH2 4.15Å; Y1308-W1406 AromaticContact CE2-CZ2 3.77Å; Y1308-W1406 HydrophobicContact CE2-CZ2 3.77Å; P1311-W1406 HydrophobicContact CG-CZ3 4.04Å; R1400-W1406 PolarHBondContact NH2-O 3.34Å; N1404-W1406 WeakPolarHBondContact OD1-CB 3.19Å; N1404-W1406 VanDerWaalsContact OD1-CD1 3.24Å; N1404-W1406 PolarHBondContact OD1-N 3.33Å; W1406-M1410 HydrophobicContact CB-SD 3.93Å; W1406-M1410 HydrophobicContact CD2-CE 4.03Å; W1406-M1410 HydrophobicContact CD2-SD 4.15Å; W1406-M1410 HydrophobicContact CE3-CE 3.58Å; W1406-M1410 HydrophobicContact CE3-SD 3.57Å; W1406-M1410 VanDerWaalsContact CE3-SD 3.57Å; W1406-M1410 HydrophobicContact CG-CE 4.5Å; W1406-M1410 HydrophobicContact CG-SD 4.35Å; W1406-M1410 HydrophobicContact CZ3-CE 4.02Å; W1406-M1410 HydrophobicContact CZ3-SD 4.38Å; W1406-M1413 HydrophobicContact CB-CE 3.62Å; W1406-M1413 HydrophobicContact CD2-CE 4.4Å; W1406-M1413 HydrophobicContact CD2-SD 4.33Å; W1406-M1413 HydrophobicContact CG-CE 3.68Å; W1406-M1413 HydrophobicContact CG-SD 4.13Å; W1406-Y1416 AromaticContact CD1-CZ 3.75Å; W1406-Y1416 AromaticContact NE1-CZ 3.78Å; W1406-Y1416 PolarHBondContact NE1-OH 3.46Å
1407	P	85.8	Confident	87.4	Confident	22 Å²	22	35 Å²	35	14%	0.143	17%	0.166	C	C	.	.			trans	-45.7	144	172.7	-31.1	35.5	0	0	0	114	W1409 M1410	P1407-W1409 HydrophobicContact CB-CG 4.22Å; P1407-W1409 VanDerWaalsContact CB-NE1 3.34Å; P1407-W1409 PolarHBondContact O-N 3.12Å; P1407-M1410 HydrophobicContact CB-CG 4.45Å; P1407-M1410 HydrophobicContact CB-SD 4.47Å; P1407-M1410 HydrophobicContact CG-SD 4.26Å; P1407-M1410 PolarHBondContact O-N 3.38Å; P1407-M1410 VanDerWaalsContact O-N 3.11Å
1408	E	86.7	Confident	87.3	Confident	165 Å²	165	34.7 Å²	34.7	77%	0.771	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-60.4	-31.8	-176.7	-65.9	-168.2	141.7	0	0	112.7	M1410 G1411	E1408-M1410 PolarHBondContact O-N 2.97Å; E1408-M1410 VanDerWaalsContact O-N 3.14Å; E1408-G1411 PolarHBondContact O-N 2.88Å; E1408-G1411 VanDerWaalsContact O-N 3.16Å
1409	W	87.2	Confident	87	Confident	32 Å²	32	30.2 Å²	30.2	12%	0.121	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-62.6	-17.9	177.9	72.3	-102.4	0	0	0	114.8	L1310 F1318 N1322 D1323 R1362 P1407 G1411	L1310-W1409 HydrophobicContact CB-CH2 4.49Å; L1310-W1409 HydrophobicContact CD1-CH2 4.33Å; L1310-W1409 HydrophobicContact CD1-CZ3 4.24Å; F1318-W1409 HydrophobicContact CB-CZ2 4.36Å; F1318-W1409 HydrophobicContact CD1-CH2 4.31Å; F1318-W1409 HydrophobicContact CD1-CZ2 4.5Å; N1322-W1409 PolarHBondContact O-NE1 3.29Å; D1323-W1409 PolarHBondContact O-NE1 2.9Å; R1362-W1409 HydrophobicContact CG-CE3 4.27Å; R1362-W1409 HydrophobicContact CG-CZ3 4.18Å; R1362-W1409 VanDerWaalsContact CZ-CB 3.48Å; P1407-W1409 HydrophobicContact CB-CG 4.22Å; P1407-W1409 VanDerWaalsContact CB-NE1 3.34Å; P1407-W1409 PolarHBondContact O-N 3.12Å; W1409-G1411 PolarHBondContact O-N 3.03Å
1410	M	89.7	Confident	86.9	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.01	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-80.7	-5.8	179	-63.2	177.8	68.9	0	0	113.2	D1304 S1307 P1311 W1406 P1407 E1408 M1413	D1304-M1410 VanDerWaalsContact CB-O 3.3Å; D1304-M1410 WeakPolarHBondContact CB-O 3.25Å; S1307-M1410 WeakPolarHBondContact O-CE 3.43Å; S1307-M1410 PolarHBondContact OG-O 3.2Å; P1311-M1410 HydrophobicContact CG-CE 3.84Å; W1406-M1410 HydrophobicContact CB-SD 3.93Å; W1406-M1410 HydrophobicContact CD2-CE 4.03Å; W1406-M1410 HydrophobicContact CD2-SD 4.15Å; W1406-M1410 HydrophobicContact CE3-CE 3.58Å; W1406-M1410 HydrophobicContact CE3-SD 3.57Å; W1406-M1410 VanDerWaalsContact CE3-SD 3.57Å; W1406-M1410 HydrophobicContact CG-CE 4.5Å; W1406-M1410 HydrophobicContact CG-SD 4.35Å; W1406-M1410 HydrophobicContact CZ3-CE 4.02Å; W1406-M1410 HydrophobicContact CZ3-SD 4.38Å; P1407-M1410 HydrophobicContact CB-CG 4.45Å; P1407-M1410 HydrophobicContact CB-SD 4.47Å; P1407-M1410 HydrophobicContact CG-SD 4.26Å; P1407-M1410 PolarHBondContact O-N 3.38Å; P1407-M1410 VanDerWaalsContact O-N 3.11Å; E1408-M1410 PolarHBondContact O-N 2.97Å; E1408-M1410 VanDerWaalsContact O-N 3.14Å; M1410-M1413 HydrophobicContact CB-CE 3.49Å; M1410-M1413 VanDerWaalsContact CB-CE 3.49Å; M1410-M1413 HydrophobicContact CE-CE 3.98Å; M1410-M1413 HydrophobicContact CE-SD 3.78Å; M1410-M1413 HydrophobicContact SD-CE 4.43Å
1411	G	90.2	Very high	87	Confident	14 Å²	14	25.4 Å²	25.4	14%	0.144	12%	0.122	C	C	.	.			trans	54.1	-136.4	167.5	0	0	0	0	0	115	D1304 R1400 E1408 W1409	D1304-G1411 VanDerWaalsContact OD2-CA 3.25Å; D1304-G1411 WeakPolarHBondContact OD2-CA 3.42Å; R1400-G1411 WeakPolarHBondContact CB-O 3.41Å; R1400-G1411 WeakPolarHBondContact CD-O 3.2Å; R1400-G1411 VanDerWaalsContact CG-O 3.22Å; R1400-G1411 WeakPolarHBondContact CG-O 3.37Å; E1408-G1411 PolarHBondContact O-N 2.88Å; E1408-G1411 VanDerWaalsContact O-N 3.16Å; W1409-G1411 PolarHBondContact O-N 3.03Å
1412	A	92.1	Very high	87.3	Confident	2 Å²	2	25.4 Å²	25.4	2%	0.017	12%	0.122	C	C	.	.	S	Bend	trans	-94.2	86.1	172.1	0	0	0	0	0	109.2	N1302 E1303 D1304 F1397	N1302-A1412 WeakPolarHBondContact CB-O 3.43Å; E1303-A1412 HydrophobicContact CB-CB 4.44Å; D1304-A1412 WeakPolarHBondContact CA-O 3.19Å; D1304-A1412 WeakPolarHBondContact CB-O 3.3Å; D1304-A1412 PolarHBondContact N-O 3.32Å; D1304-A1412 PolarHBondContact OD2-N 2.77Å; F1397-A1412 HydrophobicContact CD1-CB 4.11Å; F1397-A1412 HydrophobicContact CE1-CB 4.43Å; F1397-A1412 WeakPolarHBondContact O-CB 3.24Å
1413	M	91.8	Very high	87.5	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-83.6	174.8	-175.1	75.9	-168.4	77.5	0	0	114.2	D1304 S1307 Y1308 W1406 M1410 G1415 Y1416	D1304-M1413 WeakPolarHBondContact O-CA 3.16Å; S1307-M1413 VanDerWaalsContact OG-CB 3.23Å; S1307-M1413 WeakPolarHBondContact OG-CB 3.39Å; Y1308-M1413 HydrophobicContact CD2-SD 3.88Å; Y1308-M1413 HydrophobicContact CG-SD 4.42Å; W1406-M1413 HydrophobicContact CB-CE 3.62Å; W1406-M1413 HydrophobicContact CD2-CE 4.4Å; W1406-M1413 HydrophobicContact CD2-SD 4.33Å; W1406-M1413 HydrophobicContact CG-CE 3.68Å; W1406-M1413 HydrophobicContact CG-SD 4.13Å; M1410-M1413 HydrophobicContact CB-CE 3.49Å; M1410-M1413 VanDerWaalsContact CB-CE 3.49Å; M1410-M1413 HydrophobicContact CE-CE 3.98Å; M1410-M1413 HydrophobicContact CE-SD 3.78Å; M1410-M1413 HydrophobicContact SD-CE 4.43Å; M1413-G1415 PolarHBondContact O-N 3.41Å; M1413-Y1416 HydrophobicContact CE-CE2 4.35Å; M1413-Y1416 HydrophobicContact CG-CD2 3.21Å; M1413-Y1416 HydrophobicContact CG-CE2 3.6Å; M1413-Y1416 HydrophobicContact CG-CG 3.95Å; M1413-Y1416 WeakPolarHBondContact O-CB 3.33Å; M1413-Y1416 PolarHBondContact O-N 2.86Å; M1413-Y1416 VanDerWaalsContact O-N 3.11Å; M1413-Y1416 HydrophobicContact SD-CD2 3.93Å; M1413-Y1416 HydrophobicContact SD-CE2 3.64Å
1414	H	92.6	Very high	87.9	Confident	9 Å²	9	15.1 Å²	15.1	4%	0.042	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.3	121.3	177.2	-163.6	63.6	0	0	0	113.4	E1178 S1179 E1305 Y1308 W1309 F1374 Y1416	E1178-H1414 IonicContact OE1-CD2 3.63Å; E1178-H1414 IonicContact OE1-NE2 2.77Å; S1179-H1414 VanDerWaalsContact CB-NE2 3.33Å; S1179-H1414 WeakPolarHBondContact CB-NE2 3.4Å; S1179-H1414 PolarHBondContact OG-NE2 3.07Å; E1305-H1414 IonicContact OE2-CE1 3.82Å; E1305-H1414 IonicContact OE2-CG 2.71Å; E1305-H1414 IonicContact OE2-ND1 3.35Å; E1305-H1414 PolarHBondContact OE2-ND1 3.45Å; Y1308-H1414 HydrophobicContact CD1-CB 4.39Å; Y1308-H1414 HydrophobicContact CG-CB 4.5Å; W1309-H1414 AromaticContact CE2-CD2 3.92Å; W1309-H1414 AromaticContact CZ2-CD2 3.54Å; W1309-H1414 AromaticContact CZ2-NE2 3.68Å; W1309-H1414 AromaticContact NE1-CD2 3.79Å; W1309-H1414 AromaticContact NE1-CG 3.75Å; F1374-H1414 AromaticContact CD1-CE1 3.41Å; F1374-H1414 VanDerWaalsContact CD1-CE1 3.41Å; F1374-H1414 WeakPolarHBondContact CD1-CE1 3.29Å; F1374-H1414 AromaticContact CD1-ND1 3.8Å; F1374-H1414 AromaticContact CE1-CE1 3.24Å; F1374-H1414 WeakPolarHBondContact CE1-CE1 2.9Å; F1374-H1414 AromaticContact CE1-ND1 3.88Å; F1374-H1414 AromaticContact CE1-NE2 3.78Å; F1374-H1414 AromaticContact CZ-CE1 3.96Å; H1414-Y1416 VanDerWaalsContact C-N 3.31Å; H1414-Y1416 PolarHBondContact O-N 3.11Å
1415	G	90	Very high	88.2	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	7.1	175.1	0	0	0	0	0	116.5	M1413 E1417 L1418	M1413-G1415 PolarHBondContact O-N 3.41Å; G1415-E1417 VanDerWaalsContact CA-OE2 3.29Å; G1415-E1417 WeakPolarHBondContact CA-OE2 3.4Å; G1415-E1417 PolarHBondContact O-N 2.99Å; G1415-L1418 WeakPolarHBondContact O-CB 3.46Å; G1415-L1418 VanDerWaalsContact O-CG 3.31Å; G1415-L1418 WeakPolarHBondContact O-CG 3.44Å; G1415-L1418 PolarHBondContact O-N 3.3Å
1416	Y	88.1	Confident	88.1	Confident	6 Å²	6	13.7 Å²	13.7	2%	0.024	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-14.8	-177.3	-96.3	-102.5	0	0	0	115	W1066 N1404 W1406 M1413 H1414 L1418 E1419	W1066-Y1416 HydrophobicContact CZ2-CD2 4.47Å; W1066-Y1416 HydrophobicContact CZ2-CE2 4.12Å; N1404-Y1416 HydrophobicContact CB-CE1 4.35Å; N1404-Y1416 WeakPolarHBondContact ND2-CE1 3.38Å; W1406-Y1416 AromaticContact CD1-CZ 3.75Å; W1406-Y1416 AromaticContact NE1-CZ 3.78Å; W1406-Y1416 PolarHBondContact NE1-OH 3.46Å; M1413-Y1416 HydrophobicContact CE-CE2 4.35Å; M1413-Y1416 HydrophobicContact CG-CD2 3.21Å; M1413-Y1416 HydrophobicContact CG-CE2 3.6Å; M1413-Y1416 HydrophobicContact CG-CG 3.95Å; M1413-Y1416 WeakPolarHBondContact O-CB 3.33Å; M1413-Y1416 PolarHBondContact O-N 2.86Å; M1413-Y1416 VanDerWaalsContact O-N 3.11Å; M1413-Y1416 HydrophobicContact SD-CD2 3.93Å; M1413-Y1416 HydrophobicContact SD-CE2 3.64Å; H1414-Y1416 VanDerWaalsContact C-N 3.31Å; H1414-Y1416 PolarHBondContact O-N 3.11Å; Y1416-L1418 PolarHBondContact O-N 3.01Å; Y1416-E1419 PolarHBondContact O-N 3.29Å
1417	E	91.4	Very high	87.7	Confident	1 Å²	1	14.6 Å²	14.6	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-61.2	-27.1	170.1	80.7	-73.2	-176.3	0	0	111.9	N1302 F1395 F1397 G1415 E1419 F1420 V1421	N1302-E1417 PolarHBondContact ND2-OE2 2.85Å; N1302-E1417 PolarHBondContact OD1-OE2 2.87Å; F1395-E1417 HydrophobicContact CE2-CG 4.31Å; F1395-E1417 HydrophobicContact CZ-CG 4.2Å; F1397-E1417 HydrophobicContact CB-CB 4.33Å; F1397-E1417 HydrophobicContact CD1-CB 3.83Å; F1397-E1417 HydrophobicContact CD2-CB 3.7Å; F1397-E1417 HydrophobicContact CE1-CB 4.04Å; F1397-E1417 HydrophobicContact CE2-CB 3.91Å; F1397-E1417 HydrophobicContact CG-CB 3.67Å; F1397-E1417 HydrophobicContact CZ-CB 4.11Å; G1415-E1417 VanDerWaalsContact CA-OE2 3.29Å; G1415-E1417 WeakPolarHBondContact CA-OE2 3.4Å; G1415-E1417 PolarHBondContact O-N 2.99Å; E1417-E1419 VanDerWaalsContact C-N 3.26Å; E1417-E1419 PolarHBondContact O-N 3.1Å; E1417-F1420 WeakPolarHBondContact O-CB 3.39Å; E1417-F1420 PolarHBondContact O-N 3.06Å; E1417-V1421 WeakPolarHBondContact O-CG2 3.42Å; E1417-V1421 PolarHBondContact O-N 2.85Å; E1417-V1421 VanDerWaalsContact O-N 3.17Å
1418	L	91.9	Very high	86.8	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63	-25.6	-175.9	-59.2	-178	0	0	0	113.9	W1066 W1095 I1110 Y1111 M1176 E1178 L1204 G1415 Y1416 F1420 V1421 F1422	W1066-L1418 HydrophobicContact CH2-CD1 4.43Å; W1095-L1418 HydrophobicContact CH2-CD1 3.72Å; W1095-L1418 HydrophobicContact CH2-CD2 3.77Å; W1095-L1418 HydrophobicContact CH2-CG 4.43Å; W1095-L1418 HydrophobicContact CZ2-CD1 3.9Å; W1095-L1418 HydrophobicContact CZ2-CD2 4.48Å; W1095-L1418 HydrophobicContact CZ3-CD2 4.42Å; I1110-L1418 HydrophobicContact CD1-CB 3.82Å; I1110-L1418 HydrophobicContact CG1-CB 4.33Å; Y1111-L1418 HydrophobicContact CE1-CD1 4.04Å; M1176-L1418 HydrophobicContact CE-CD2 4.29Å; E1178-L1418 HydrophobicContact CB-CD1 4.03Å; E1178-L1418 HydrophobicContact CB-CD2 4.49Å; E1178-L1418 HydrophobicContact CG-CD1 3.95Å; L1204-L1418 HydrophobicContact CD1-CD2 3.89Å; G1415-L1418 WeakPolarHBondContact O-CB 3.46Å; G1415-L1418 VanDerWaalsContact O-CG 3.31Å; G1415-L1418 WeakPolarHBondContact O-CG 3.44Å; G1415-L1418 PolarHBondContact O-N 3.3Å; Y1416-L1418 PolarHBondContact O-N 3.01Å; L1418-F1420 VanDerWaalsContact C-N 3.3Å; L1418-F1420 PolarHBondContact O-N 2.8Å; L1418-V1421 PolarHBondContact O-N 2.77Å; L1418-F1422 HydrophobicContact CB-CD2 4.45Å; L1418-F1422 HydrophobicContact CD2-CE2 4.43Å; L1418-F1422 PolarHBondContact O-N 3.1Å
1419	E	87.8	Confident	85.9	Confident	3 Å²	3	20.4 Å²	20.4	1%	0.014	10%	0.095	C	C	.	.	H	α-helix	trans	-66.6	-35.9	175.9	80.9	177.3	125.2	0	0	111.2	I1110 S1401 Y1416 E1417 G1423 L1424 P1425	I1110-E1419 HydrophobicContact CD1-CB 4.34Å; S1401-E1419 WeakPolarHBondContact CB-OE1 3.4Å; S1401-E1419 PolarHBondContact OG-OE2 2.87Å; Y1416-E1419 PolarHBondContact O-N 3.29Å; E1417-E1419 VanDerWaalsContact C-N 3.26Å; E1417-E1419 PolarHBondContact O-N 3.1Å; E1419-G1423 PolarHBondContact O-N 2.95Å; E1419-L1424 HydrophobicContact CB-CB 4.09Å; E1419-L1424 HydrophobicContact CB-CD1 3.89Å; E1419-L1424 WeakPolarHBondContact O-CB 3.2Å; E1419-L1424 PolarHBondContact O-N 3.41Å; E1419-P1425 VanDerWaalsContact O-CD 3.31Å; E1419-P1425 WeakPolarHBondContact O-CD 3.15Å
1420	F	90.7	Very high	84.9	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-75.9	-40.6	178	-59.6	-79.7	0	0	0	111.5	F1397 Y1399 E1417 L1418 G1423 P1425 D1438 M1441 S1442 V1445	F1397-F1420 HydrophobicContact CE1-CD2 4.27Å; F1397-F1420 HydrophobicContact CE1-CE2 4.2Å; F1397-F1420 HydrophobicContact CE2-CD2 4.23Å; F1397-F1420 AromaticContact CZ-CD2 3.46Å; F1397-F1420 HydrophobicContact CZ-CD2 3.46Å; F1397-F1420 VanDerWaalsContact CZ-CD2 3.46Å; F1397-F1420 AromaticContact CZ-CE2 3.65Å; F1397-F1420 HydrophobicContact CZ-CE2 3.65Å; F1397-F1420 HydrophobicContact CZ-CG 4.29Å; Y1399-F1420 AromaticContact CD1-CE1 3.85Å; Y1399-F1420 HydrophobicContact CD1-CE1 3.85Å; Y1399-F1420 HydrophobicContact CD1-CE2 4.08Å; Y1399-F1420 AromaticContact CD1-CZ 3.41Å; Y1399-F1420 HydrophobicContact CD1-CZ 3.41Å; Y1399-F1420 VanDerWaalsContact CD1-CZ 3.41Å; Y1399-F1420 AromaticContact CE1-CE1 3.73Å; Y1399-F1420 HydrophobicContact CE1-CE1 3.73Å; Y1399-F1420 AromaticContact CE1-CZ 3.52Å; Y1399-F1420 HydrophobicContact CE1-CZ 3.52Å; E1417-F1420 WeakPolarHBondContact O-CB 3.39Å; E1417-F1420 PolarHBondContact O-N 3.06Å; L1418-F1420 VanDerWaalsContact C-N 3.3Å; L1418-F1420 PolarHBondContact O-N 2.8Å; F1420-G1423 PolarHBondContact O-N 3.39Å; F1420-P1425 HydrophobicContact CD1-CG 4.31Å; F1420-P1425 HydrophobicContact CE1-CG 4.34Å; F1420-D1438 HydrophobicContact CE1-CB 4.28Å; F1420-M1441 HydrophobicContact CD1-CB 3.73Å; F1420-M1441 HydrophobicContact CD1-CG 3.65Å; F1420-M1441 HydrophobicContact CE1-CB 3.79Å; F1420-M1441 HydrophobicContact CE1-CG 3.83Å; F1420-M1441 HydrophobicContact CG-CG 4.13Å; F1420-M1441 HydrophobicContact CZ-CG 4.45Å; F1420-S1442 PolarHBondContact O-OG 2.94Å; F1420-V1445 HydrophobicContact CB-CB 4.09Å; F1420-V1445 HydrophobicContact CB-CG1 4.3Å; F1420-V1445 HydrophobicContact CB-CG2 3.94Å
1421	V	90.8	Very high	83.3	Confident	1 Å²	1	27 Å²	27	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-57.5	-55.2	176.3	170.5	0	0	0	0	112.2	M1176 E1417 L1418 G1423 V1445 I1446 W1449	M1176-V1421 HydrophobicContact CE-CG1 4.02Å; E1417-V1421 WeakPolarHBondContact O-CG2 3.42Å; E1417-V1421 PolarHBondContact O-N 2.85Å; E1417-V1421 VanDerWaalsContact O-N 3.17Å; L1418-V1421 PolarHBondContact O-N 2.77Å; V1421-G1423 PolarHBondContact O-N 2.89Å; V1421-V1445 HydrophobicContact CB-CG1 4.38Å; V1421-V1445 HydrophobicContact CG2-CG1 3.56Å; V1421-I1446 VanDerWaalsContact O-CG1 3.26Å; V1421-I1446 WeakPolarHBondContact O-CG1 3.24Å; V1421-W1449 HydrophobicContact CB-CH2 4.15Å; V1421-W1449 HydrophobicContact CB-CZ3 4.14Å; V1421-W1449 HydrophobicContact CG1-CE3 3.72Å; V1421-W1449 HydrophobicContact CG1-CH2 3.72Å; V1421-W1449 HydrophobicContact CG1-CZ3 3.26Å; V1421-W1449 HydrophobicContact CG2-CD2 4.2Å; V1421-W1449 HydrophobicContact CG2-CE3 4.13Å; V1421-W1449 HydrophobicContact CG2-CH2 3.28Å; V1421-W1449 HydrophobicContact CG2-CZ2 3.41Å; V1421-W1449 VanDerWaalsContact CG2-CZ2 3.41Å; V1421-W1449 HydrophobicContact CG2-CZ3 3.69Å
1422	F	89.3	Confident	81.8	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.009	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	8.7	-176.5	-73.1	-83.5	0	0	0	113.2	W1095 I1110 Y1111 L1116 M1176 L1418 R1427	W1095-F1422 HydrophobicContact CB-CZ 4.42Å; W1095-F1422 AromaticContact CD1-CZ 3.91Å; W1095-F1422 HydrophobicContact CD2-CE2 4.37Å; W1095-F1422 AromaticContact CD2-CZ 3.89Å; W1095-F1422 HydrophobicContact CD2-CZ 3.89Å; W1095-F1422 AromaticContact CE2-CZ 3.92Å; W1095-F1422 AromaticContact CG-CZ 3.85Å; W1095-F1422 HydrophobicContact CG-CZ 3.85Å; W1095-F1422 HydrophobicContact CZ2-CE2 4.18Å; W1095-F1422 HydrophobicContact CZ2-CZ 4.47Å; W1095-F1422 AromaticContact NE1-CZ 3.97Å; I1110-F1422 WeakPolarHBondContact O-CB 3.23Å; I1110-F1422 WeakPolarHBondContact O-CG 3.25Å; Y1111-F1422 HydrophobicContact CD1-CD2 4.23Å; Y1111-F1422 AromaticContact CD1-CE2 3.86Å; Y1111-F1422 HydrophobicContact CD1-CE2 3.86Å; Y1111-F1422 HydrophobicContact CD1-CZ 4.29Å; Y1111-F1422 WeakPolarHBondContact O-CE1 3.42Å; L1116-F1422 HydrophobicContact CD2-CD1 4.38Å; L1116-F1422 HydrophobicContact CD2-CE1 4.47Å; M1176-F1422 HydrophobicContact CE-CE2 3.85Å; M1176-F1422 HydrophobicContact CE-CZ 3.91Å; L1418-F1422 HydrophobicContact CB-CD2 4.45Å; L1418-F1422 HydrophobicContact CD2-CE2 4.43Å; L1418-F1422 PolarHBondContact O-N 3.1Å; F1422-R1427 PolarHBondContact O-NE 3.38Å; F1422-R1427 PolarHBondContact O-NH2 2.94Å
1423	G	85.5	Confident	80.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	23.8	173.7	0	0	0	0	0	115	E1419 F1420 V1421 L1426 R1427 S1442	E1419-G1423 PolarHBondContact O-N 2.95Å; F1420-G1423 PolarHBondContact O-N 3.39Å; V1421-G1423 PolarHBondContact O-N 2.89Å; G1423-L1426 WeakPolarHBondContact O-CB 3.32Å; G1423-L1426 PolarHBondContact O-N 3.03Å; G1423-R1427 WeakPolarHBondContact O-CG 3.38Å; G1423-R1427 PolarHBondContact O-N 2.59Å; G1423-S1442 WeakPolarHBondContact CA-OG 3.46Å
1424	L	85	Confident	78.9	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.01	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-53	-49.1	-176.1	-107.6	173.2	0	0	0	112.8	M1065 I1110 E1419 L1426 R1427 Y1430	M1065-L1424 HydrophobicContact CE-CD1 4.3Å; I1110-L1424 HydrophobicContact CB-CD1 3.94Å; I1110-L1424 HydrophobicContact CD1-CD1 4.16Å; I1110-L1424 HydrophobicContact CG1-CD1 3.93Å; E1419-L1424 HydrophobicContact CB-CB 4.09Å; E1419-L1424 HydrophobicContact CB-CD1 3.89Å; E1419-L1424 WeakPolarHBondContact O-CB 3.2Å; E1419-L1424 PolarHBondContact O-N 3.41Å; L1424-L1426 PolarHBondContact O-N 3.31Å; L1424-R1427 PolarHBondContact O-N 3.15Å; L1424-Y1430 HydrophobicContact CD2-CD1 4.08Å; L1424-Y1430 HydrophobicContact CD2-CD2 3.54Å; L1424-Y1430 HydrophobicContact CD2-CE1 3.79Å; L1424-Y1430 HydrophobicContact CD2-CE2 3.24Å; L1424-Y1430 HydrophobicContact CD2-CG 3.97Å
1425	P	82.9	Confident	78.2	Confident	5 Å²	5	38.9 Å²	38.9	3%	0.032	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-60	-16.8	176.4	-26.6	36.3	0	0	0	115.4	E1419 F1420 S1434 D1438 K1439	E1419-P1425 VanDerWaalsContact O-CD 3.31Å; E1419-P1425 WeakPolarHBondContact O-CD 3.15Å; F1420-P1425 HydrophobicContact CD1-CG 4.31Å; F1420-P1425 HydrophobicContact CE1-CG 4.34Å; P1425-S1434 PolarHBondContact O-OG 2.89Å; P1425-D1438 HydrophobicContact CB-CB 4.17Å; P1425-D1438 HydrophobicContact CG-CB 4.25Å; P1425-K1439 HydrophobicContact CB-CG 4.28Å; P1425-K1439 WeakPolarHBondContact O-CE 3.33Å; P1425-K1439 WeakPolarHBondContact O-CG 3.48Å
1426	L	76.5	Confident	77.6	Confident	16 Å²	16	43.4 Å²	43.4	8%	0.084	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-95.4	-15.5	-174.5	-56	175.6	0	0	0	112.6	F1115 G1423 L1424 K1439 S1442 Y1443 I1446	F1115-L1426 HydrophobicContact CD1-CD1 4.2Å; F1115-L1426 HydrophobicContact CD2-CB 4.22Å; F1115-L1426 HydrophobicContact CE1-CB 4.11Å; F1115-L1426 HydrophobicContact CE1-CD1 3.33Å; F1115-L1426 HydrophobicContact CE1-CG 4.33Å; F1115-L1426 HydrophobicContact CE2-CB 3.73Å; F1115-L1426 HydrophobicContact CE2-CD1 4.35Å; F1115-L1426 HydrophobicContact CZ-CB 3.68Å; F1115-L1426 HydrophobicContact CZ-CD1 3.43Å; F1115-L1426 VanDerWaalsContact CZ-CD1 3.43Å; F1115-L1426 HydrophobicContact CZ-CG 4.14Å; G1423-L1426 WeakPolarHBondContact O-CB 3.32Å; G1423-L1426 PolarHBondContact O-N 3.03Å; L1424-L1426 PolarHBondContact O-N 3.31Å; L1426-K1439 HydrophobicContact CD2-CB 3.84Å; L1426-K1439 HydrophobicContact CD2-CG 4.03Å; L1426-S1442 WeakPolarHBondContact CD1-OG 3.41Å; L1426-Y1443 HydrophobicContact CD1-CD1 4.02Å; L1426-Y1443 HydrophobicContact CD1-CD2 4.28Å; L1426-Y1443 HydrophobicContact CD1-CE1 3.93Å; L1426-Y1443 HydrophobicContact CD1-CE2 4.2Å; L1426-Y1443 HydrophobicContact CD1-CG 4.19Å; L1426-Y1443 HydrophobicContact CD2-CD2 3.84Å; L1426-Y1443 HydrophobicContact CD2-CE1 4.49Å; L1426-Y1443 HydrophobicContact CD2-CE2 3.38Å; L1426-Y1443 HydrophobicContact CG-CE2 4.45Å; L1426-I1446 HydrophobicContact CD1-CD1 4.15Å
1427	R	76	Confident	77.4	Confident	25 Å²	25	47.6 Å²	47.6	9%	0.094	24%	0.24	C	C	.	.	S	Bend	trans	-76.4	144.1	-178.8	-62.1	173.2	-161.3	175	5	112.2	N1109 I1110 R1112 F1422 G1423 L1424 E1429 Y1430 K1431	N1109-R1427 PolarHBondContact O-NH1 2.63Å; I1110-R1427 PolarHBondContact O-NH2 2.71Å; R1112-R1427 PolarHBondContact O-NH2 2.75Å; R1112-R1427 VanDerWaalsContact O-NH2 3.11Å; F1422-R1427 PolarHBondContact O-NE 3.38Å; F1422-R1427 PolarHBondContact O-NH2 2.94Å; G1423-R1427 WeakPolarHBondContact O-CG 3.38Å; G1423-R1427 PolarHBondContact O-N 2.59Å; L1424-R1427 PolarHBondContact O-N 3.15Å; R1427-E1429 PolarHBondContact O-N 2.82Å; R1427-Y1430 HydrophobicContact CB-CD2 4.25Å; R1427-Y1430 PolarHBondContact O-N 2.91Å; R1427-K1431 PolarHBondContact O-N 3.15Å
1428	K	67.7	Low	77.1	Confident	187 Å²	187	47.6 Å²	47.6	81%	0.813	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-55.3	-37.5	-177.3	-170.4	175	-179.6	176.8	0	113.1	Y1430 K1431	K1428-Y1430 PolarHBondContact O-N 3.36Å; K1428-K1431 PolarHBondContact O-N 3.33Å
1429	E	66.9	Low	76.6	Confident	121 Å²	121	50 Å²	50	57%	0.565	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-56	-29.5	176.2	-69.9	152.7	-140.5	0	0	114	N1109 R1427	N1109-E1429 PolarHBondContact ND2-OE2 3.37Å; R1427-E1429 PolarHBondContact O-N 2.82Å
1430	Y	67.3	Low	76.4	Confident	49 Å²	49	55.8 Å²	55.8	19%	0.192	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-113	1.4	-174	-61.8	-95.4	0	0	0	112.6	N1109 W1403 L1424 R1427 K1428 T1432 N1433 S1434	N1109-Y1430 PolarHBondContact ND2-OH 3.04Å; N1109-Y1430 VanDerWaalsContact ND2-OH 3.08Å; W1403-Y1430 HydrophobicContact CD2-CD1 4.45Å; W1403-Y1430 HydrophobicContact CE3-CD1 4.3Å; W1403-Y1430 AromaticContact CH2-CD1 3.92Å; W1403-Y1430 HydrophobicContact CH2-CD1 3.92Å; W1403-Y1430 AromaticContact CH2-CE1 3.51Å; W1403-Y1430 HydrophobicContact CH2-CE1 3.51Å; W1403-Y1430 HydrophobicContact CZ2-CD1 4.03Å; W1403-Y1430 AromaticContact CZ2-CE1 3.85Å; W1403-Y1430 HydrophobicContact CZ2-CE1 3.85Å; W1403-Y1430 HydrophobicContact CZ3-CD1 4.04Å; W1403-Y1430 AromaticContact CZ3-CE1 3.93Å; W1403-Y1430 HydrophobicContact CZ3-CE1 3.93Å; L1424-Y1430 HydrophobicContact CD2-CD1 4.08Å; L1424-Y1430 HydrophobicContact CD2-CD2 3.54Å; L1424-Y1430 HydrophobicContact CD2-CE1 3.79Å; L1424-Y1430 HydrophobicContact CD2-CE2 3.24Å; L1424-Y1430 HydrophobicContact CD2-CG 3.97Å; R1427-Y1430 HydrophobicContact CB-CD2 4.25Å; R1427-Y1430 PolarHBondContact O-N 2.91Å; K1428-Y1430 PolarHBondContact O-N 3.36Å; Y1430-T1432 VanDerWaalsContact C-N 3.26Å; Y1430-T1432 PolarHBondContact O-N 3.19Å; Y1430-N1433 PolarHBondContact O-N 3.36Å; Y1430-S1434 WeakPolarHBondContact O-CB 3.41Å; Y1430-S1434 PolarHBondContact O-N 2.74Å; Y1430-S1434 VanDerWaalsContact O-N 3.14Å; Y1430-S1434 PolarHBondContact O-OG 2.78Å
1431	K	55.3	Low	76.2	Confident	125 Å²	125	58 Å²	58	54%	0.543	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.5	-173.4	-89.1	-169.5	177.8	-167.4	0	114.4	R1427 K1428 K1439	R1427-K1431 PolarHBondContact O-N 3.15Å; K1428-K1431 PolarHBondContact O-N 3.33Å; K1431-K1439 PolarHBondContact O-NZ 2.89Å
1432	T	57.7	Low	76.1	Confident	124 Å²	124	58 Å²	58	76%	0.761	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-29.1	-177.4	53.5	0	0	0	0	113.6	Y1430	Y1430-T1432 VanDerWaalsContact C-N 3.26Å; Y1430-T1432 PolarHBondContact O-N 3.19Å
1433	N	61.8	Low	75.7	Confident	93 Å²	93	61.2 Å²	61.2	50%	0.497	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-20.9	-170.8	-56.3	7	0	0	0	112.7	W1403 Y1430	W1403-N1433 HydrophobicContact CG-CB 4.11Å; Y1430-N1433 PolarHBondContact O-N 3.36Å
1434	S	61.8	Low	75.6	Confident	11 Å²	11	65.9 Å²	65.9	8%	0.077	32%	0.318	C	S	.	.			trans	-72.7	127.2	174.5	44.9	0	0	0	0	111	P1425 Y1430 K1439	P1425-S1434 PolarHBondContact O-OG 2.89Å; Y1430-S1434 WeakPolarHBondContact O-CB 3.41Å; Y1430-S1434 PolarHBondContact O-N 2.74Å; Y1430-S1434 VanDerWaalsContact O-N 3.14Å; Y1430-S1434 PolarHBondContact O-OG 2.78Å; S1434-K1439 PolarHBondContact O-NZ 3.13Å; S1434-K1439 WeakPolarHBondContact OG-CE 3.44Å; S1434-K1439 PolarHBondContact OG-NZ 2.85Å
1435	T	77.5	Confident	75.8	Confident	45 Å²	45	66.5 Å²	66.5	28%	0.276	32%	0.321	S	S	.	.			trans	-78.1	165.8	176.1	73.5	0	0	0	0	111.5	K1402 I1437 D1438 K1439	K1402-T1435 HydrophobicContact CB-CG2 3.86Å; K1402-T1435 HydrophobicContact CD-CG2 3.99Å; T1435-I1437 PolarHBondContact O-N 2.68Å; T1435-I1437 PolarHBondContact OG1-N 2.84Å; T1435-D1438 WeakPolarHBondContact CA-OD2 3.47Å; T1435-D1438 VanDerWaalsContact CB-OD2 3.27Å; T1435-D1438 WeakPolarHBondContact CB-OD2 3.34Å; T1435-D1438 WeakPolarHBondContact CG2-OD2 3.38Å; T1435-D1438 PolarHBondContact N-OD2 2.7Å; T1435-D1438 PolarHBondContact O-N 3.24Å; T1435-D1438 PolarHBondContact OG1-N 3.43Å; T1435-D1438 PolarHBondContact OG1-OD2 3.02Å; T1435-K1439 WeakPolarHBondContact O-CG 3.07Å; T1435-K1439 PolarHBondContact O-N 3.02Å; T1435-K1439 VanDerWaalsContact O-N 3.1Å
1436	T	77.1	Confident	75.9	Confident	95 Å²	95	66.8 Å²	66.8	58%	0.583	32%	0.322	S	S	*	.	H	α-helix	trans	-59.8	-25.6	173.6	-46.6	0	0	0	0	112.3	R1440	T1436-R1440 WeakPolarHBondContact O-CG 3.44Å; T1436-R1440 PolarHBondContact O-N 2.84Å; T1436-R1440 VanDerWaalsContact O-N 3.13Å
1437	I	83.9	Confident	75.9	Confident	95 Å²	95	68 Å²	68	49%	0.487	34%	0.335	S	S	.	.	H	α-helix	trans	-75	-47.9	176.6	-49.7	179.7	0	0	0	110.1	Y1399 T1435 K1439 R1440 M1441	Y1399-I1437 HydrophobicContact CE2-CG2 3.92Å; Y1399-I1437 WeakPolarHBondContact OH-CG2 3.49Å; T1435-I1437 PolarHBondContact O-N 2.68Å; T1435-I1437 PolarHBondContact OG1-N 2.84Å; I1437-K1439 PolarHBondContact O-N 2.91Å; I1437-R1440 PolarHBondContact O-N 2.89Å; I1437-R1440 VanDerWaalsContact O-N 3.11Å; I1437-M1441 PolarHBondContact O-N 2.82Å
1438	D	85.6	Confident	76.3	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-60	-38	178.6	-46.7	-53.4	0	0	0	111.4	Y1399 S1401 K1402 F1420 P1425 T1435 M1441 S1442	Y1399-D1438 PolarHBondContact OH-OD1 3.41Å; S1401-D1438 WeakPolarHBondContact CA-OD1 3.42Å; K1402-D1438 PolarHBondContact N-OD1 3.46Å; F1420-D1438 HydrophobicContact CE1-CB 4.28Å; P1425-D1438 HydrophobicContact CB-CB 4.17Å; P1425-D1438 HydrophobicContact CG-CB 4.25Å; T1435-D1438 WeakPolarHBondContact CA-OD2 3.47Å; T1435-D1438 VanDerWaalsContact CB-OD2 3.27Å; T1435-D1438 WeakPolarHBondContact CB-OD2 3.34Å; T1435-D1438 WeakPolarHBondContact CG2-OD2 3.38Å; T1435-D1438 PolarHBondContact N-OD2 2.7Å; T1435-D1438 PolarHBondContact O-N 3.24Å; T1435-D1438 PolarHBondContact OG1-N 3.43Å; T1435-D1438 PolarHBondContact OG1-OD2 3.02Å; D1438-M1441 PolarHBondContact O-N 2.91Å; D1438-S1442 PolarHBondContact O-N 2.89Å
1439	K	81.3	Confident	77.1	Confident	50 Å²	50	68.1 Å²	68.1	22%	0.217	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-48.5	173.9	-69.5	170.7	170.5	125.4	0	111.8	P1425 L1426 K1431 S1434 T1435 I1437 S1442 Y1443	P1425-K1439 HydrophobicContact CB-CG 4.28Å; P1425-K1439 WeakPolarHBondContact O-CE 3.33Å; P1425-K1439 WeakPolarHBondContact O-CG 3.48Å; L1426-K1439 HydrophobicContact CD2-CB 3.84Å; L1426-K1439 HydrophobicContact CD2-CG 4.03Å; K1431-K1439 PolarHBondContact O-NZ 2.89Å; S1434-K1439 PolarHBondContact O-NZ 3.13Å; S1434-K1439 WeakPolarHBondContact OG-CE 3.44Å; S1434-K1439 PolarHBondContact OG-NZ 2.85Å; T1435-K1439 WeakPolarHBondContact O-CG 3.07Å; T1435-K1439 PolarHBondContact O-N 3.02Å; T1435-K1439 VanDerWaalsContact O-N 3.1Å; I1437-K1439 PolarHBondContact O-N 2.91Å; K1439-S1442 PolarHBondContact O-N 2.92Å; K1439-Y1443 WeakPolarHBondContact O-CD2 3.45Å; K1439-Y1443 PolarHBondContact O-N 3.45Å; K1439-Y1443 VanDerWaalsContact O-N 3.09Å
1440	R	83.3	Confident	77.7	Confident	126 Å²	126	64.1 Å²	64.1	48%	0.475	31%	0.313	S	S	.	.	H	α-helix	trans	-61.7	-42	175.3	-78.4	174.4	173.2	169.3	-2.4	112.4	T1436 I1437 S1442 Y1443 H1444	T1436-R1440 WeakPolarHBondContact O-CG 3.44Å; T1436-R1440 PolarHBondContact O-N 2.84Å; T1436-R1440 VanDerWaalsContact O-N 3.13Å; I1437-R1440 PolarHBondContact O-N 2.89Å; I1437-R1440 VanDerWaalsContact O-N 3.11Å; R1440-S1442 VanDerWaalsContact C-N 3.32Å; R1440-S1442 PolarHBondContact O-N 3.31Å; R1440-Y1443 PolarHBondContact O-N 3.47Å; R1440-H1444 PolarHBondContact O-CD2 2.71Å; R1440-H1444 VanDerWaalsContact O-CD2 3.28Å; R1440-H1444 VanDerWaalsContact O-CG 3.32Å; R1440-H1444 PolarHBondContact O-N 3.33Å
1441	M	88	Confident	78.3	Confident	46 Å²	46	64.4 Å²	64.4	23%	0.227	33%	0.325	C	S	.	.	H	α-helix	trans	-60.7	-42.7	176.5	-170.7	64.2	-177.6	0	0	111.3	F1397 Y1399 F1420 I1437 D1438 H1444 V1445	F1397-M1441 HydrophobicContact CD2-CE 4.22Å; F1397-M1441 HydrophobicContact CE2-CE 3.48Å; F1397-M1441 VanDerWaalsContact CE2-CE 3.48Å; F1397-M1441 HydrophobicContact CZ-CE 4.08Å; Y1399-M1441 HydrophobicContact CD1-CB 4.22Å; Y1399-M1441 HydrophobicContact CD1-CG 3.71Å; Y1399-M1441 HydrophobicContact CE1-CB 4.19Å; Y1399-M1441 HydrophobicContact CE1-CG 4.2Å; Y1399-M1441 HydrophobicContact CG-CE 4.43Å; Y1399-M1441 HydrophobicContact CG-CG 4.1Å; Y1399-M1441 HydrophobicContact CG-SD 4.36Å; F1420-M1441 HydrophobicContact CD1-CB 3.73Å; F1420-M1441 HydrophobicContact CD1-CG 3.65Å; F1420-M1441 HydrophobicContact CE1-CB 3.79Å; F1420-M1441 HydrophobicContact CE1-CG 3.83Å; F1420-M1441 HydrophobicContact CG-CG 4.13Å; F1420-M1441 HydrophobicContact CZ-CG 4.45Å; I1437-M1441 PolarHBondContact O-N 2.82Å; D1438-M1441 PolarHBondContact O-N 2.91Å; M1441-H1444 PolarHBondContact O-N 2.99Å; M1441-V1445 HydrophobicContact CE-CG2 3.99Å; M1441-V1445 HydrophobicContact CG-CG2 4.46Å; M1441-V1445 WeakPolarHBondContact O-CG2 2.85Å; M1441-V1445 PolarHBondContact O-N 3.1Å
1442	S	87.5	Confident	79.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-44.5	175.8	-175.8	0	0	0	0	112.4	F1420 G1423 L1426 D1438 K1439 R1440 H1444 V1445 I1446	F1420-S1442 PolarHBondContact O-OG 2.94Å; G1423-S1442 WeakPolarHBondContact CA-OG 3.46Å; L1426-S1442 WeakPolarHBondContact CD1-OG 3.41Å; D1438-S1442 PolarHBondContact O-N 2.89Å; K1439-S1442 PolarHBondContact O-N 2.92Å; R1440-S1442 VanDerWaalsContact C-N 3.32Å; R1440-S1442 PolarHBondContact O-N 3.31Å; S1442-H1444 PolarHBondContact O-N 2.59Å; S1442-V1445 PolarHBondContact O-N 2.95Å; S1442-I1446 WeakPolarHBondContact O-CB 3.3Å; S1442-I1446 WeakPolarHBondContact O-CD1 3.28Å; S1442-I1446 VanDerWaalsContact O-CG1 3.23Å; S1442-I1446 WeakPolarHBondContact O-CG1 3.1Å; S1442-I1446 PolarHBondContact O-N 3.27Å
1443	Y	80.8	Confident	81.1	Confident	71 Å²	71	53.7 Å²	53.7	28%	0.278	27%	0.268	S	S	.	.	H	α-helix	trans	-59.1	-45.8	172.2	-76	-65.4	0	0	0	112.5	Y990 F1115 L1426 K1439 R1440 I1446 A1447	Y990-Y1443 HydrophobicContact CE1-CE2 4.47Å; F1115-Y1443 HydrophobicContact CZ-CE1 4.24Å; L1426-Y1443 HydrophobicContact CD1-CD1 4.02Å; L1426-Y1443 HydrophobicContact CD1-CD2 4.28Å; L1426-Y1443 HydrophobicContact CD1-CE1 3.93Å; L1426-Y1443 HydrophobicContact CD1-CE2 4.2Å; L1426-Y1443 HydrophobicContact CD1-CG 4.19Å; L1426-Y1443 HydrophobicContact CD2-CD2 3.84Å; L1426-Y1443 HydrophobicContact CD2-CE1 4.49Å; L1426-Y1443 HydrophobicContact CD2-CE2 3.38Å; L1426-Y1443 HydrophobicContact CG-CE2 4.45Å; K1439-Y1443 WeakPolarHBondContact O-CD2 3.45Å; K1439-Y1443 PolarHBondContact O-N 3.45Å; K1439-Y1443 VanDerWaalsContact O-N 3.09Å; R1440-Y1443 PolarHBondContact O-N 3.47Å; Y1443-I1446 PolarHBondContact O-N 3.48Å; Y1443-A1447 VanDerWaalsContact O-CB 3.26Å; Y1443-A1447 WeakPolarHBondContact O-CB 3.47Å; Y1443-A1447 PolarHBondContact O-N 2.66Å
1444	H	84.8	Confident	81.6	Confident	98 Å²	98	54.2 Å²	54.2	45%	0.454	26%	0.263	S	S	.	.	H	α-helix	trans	-65.3	-39.1	-179.7	-67.4	-34.3	0	0	0	113.4	R1440 M1441 S1442 R1448	R1440-H1444 PolarHBondContact O-CD2 2.71Å; R1440-H1444 VanDerWaalsContact O-CD2 3.28Å; R1440-H1444 VanDerWaalsContact O-CG 3.32Å; R1440-H1444 PolarHBondContact O-N 3.33Å; M1441-H1444 PolarHBondContact O-N 2.99Å; S1442-H1444 PolarHBondContact O-N 2.59Å; H1444-R1448 WeakPolarHBondContact O-CG 3.41Å; H1444-R1448 PolarHBondContact O-N 2.71Å; H1444-R1448 VanDerWaalsContact O-N 3.12Å
1445	V	89.1	Confident	81.5	Confident	15 Å²	15	58.8 Å²	58.8	9%	0.091	29%	0.286	C	S	.	.	H	α-helix	trans	-65.4	-50.9	175.2	171.7	0	0	0	0	110.2	F1397 F1420 V1421 M1441 S1442 A1447 R1448 W1449	F1397-V1445 HydrophobicContact CE2-CG2 4.24Å; F1420-V1445 HydrophobicContact CB-CB 4.09Å; F1420-V1445 HydrophobicContact CB-CG1 4.3Å; F1420-V1445 HydrophobicContact CB-CG2 3.94Å; V1421-V1445 HydrophobicContact CB-CG1 4.38Å; V1421-V1445 HydrophobicContact CG2-CG1 3.56Å; M1441-V1445 HydrophobicContact CE-CG2 3.99Å; M1441-V1445 HydrophobicContact CG-CG2 4.46Å; M1441-V1445 WeakPolarHBondContact O-CG2 2.85Å; M1441-V1445 PolarHBondContact O-N 3.1Å; S1442-V1445 PolarHBondContact O-N 2.95Å; V1445-A1447 VanDerWaalsContact C-N 3.3Å; V1445-A1447 PolarHBondContact O-N 3.46Å; V1445-R1448 PolarHBondContact O-N 2.79Å; V1445-W1449 WeakPolarHBondContact O-CB 3.26Å; V1445-W1449 VanDerWaalsContact O-CD1 3.3Å; V1445-W1449 PolarHBondContact O-N 2.88Å
1446	I	84.7	Confident	79.9	Confident	10 Å²	10	69.2 Å²	69.2	5%	0.051	32%	0.321	C	S	.	.	H	α-helix	trans	-57.5	-42.2	177.5	-70.6	168.8	0	0	0	111.4	F1115 L1116 T1120 V1421 L1426 S1442 Y1443 N1450	F1115-I1446 HydrophobicContact CD1-CD1 4.04Å; F1115-I1446 HydrophobicContact CE1-CD1 3.93Å; L1116-I1446 HydrophobicContact CD1-CG1 4.19Å; L1116-I1446 HydrophobicContact CD1-CG2 4.12Å; T1120-I1446 HydrophobicContact CG2-CG2 3.79Å; V1421-I1446 VanDerWaalsContact O-CG1 3.26Å; V1421-I1446 WeakPolarHBondContact O-CG1 3.24Å; L1426-I1446 HydrophobicContact CD1-CD1 4.15Å; S1442-I1446 WeakPolarHBondContact O-CB 3.3Å; S1442-I1446 WeakPolarHBondContact O-CD1 3.28Å; S1442-I1446 VanDerWaalsContact O-CG1 3.23Å; S1442-I1446 WeakPolarHBondContact O-CG1 3.1Å; S1442-I1446 PolarHBondContact O-N 3.27Å; Y1443-I1446 PolarHBondContact O-N 3.48Å; I1446-N1450 WeakPolarHBondContact O-CB 3.31Å; I1446-N1450 PolarHBondContact O-N 2.95Å
1447	A	76.8	Confident	80	Confident	42 Å²	42	68 Å²	68	35%	0.347	31%	0.308	S	S	.	.	H	α-helix	trans	-64.8	-47.4	179.8	0	0	0	0	0	112.6	Y1443 V1445 W1449 N1450 A1451	Y1443-A1447 VanDerWaalsContact O-CB 3.26Å; Y1443-A1447 WeakPolarHBondContact O-CB 3.47Å; Y1443-A1447 PolarHBondContact O-N 2.66Å; V1445-A1447 VanDerWaalsContact C-N 3.3Å; V1445-A1447 PolarHBondContact O-N 3.46Å; A1447-W1449 VanDerWaalsContact C-N 3.33Å; A1447-W1449 PolarHBondContact O-N 2.88Å; A1447-N1450 PolarHBondContact O-N 3.26Å; A1447-A1451 PolarHBondContact O-N 2.89Å
1448	R	83.7	Confident	79.8	Confident	197 Å²	197	66.5 Å²	66.5	74%	0.743	30%	0.298	S	S	*	.	H	α-helix	trans	-61.8	-40.5	177.6	-74.4	178.4	176	-167	-1	112.2	H1444 V1445 A1451 F1452	H1444-R1448 WeakPolarHBondContact O-CG 3.41Å; H1444-R1448 PolarHBondContact O-N 2.71Å; H1444-R1448 VanDerWaalsContact O-N 3.12Å; V1445-R1448 PolarHBondContact O-N 2.79Å; R1448-A1451 WeakPolarHBondContact O-CB 3.33Å; R1448-A1451 PolarHBondContact O-N 3.13Å; R1448-F1452 PolarHBondContact O-N 2.86Å
1449	W	83.9	Confident	79.5	Confident	18 Å²	18	70.2 Å²	70.2	7%	0.068	32%	0.315	C	S	.	.	H	α-helix	trans	-72.2	-37.8	178.4	-77.9	38.9	0	0	0	112.7	M1176 I1202 L1204 F1395 V1421 V1445 A1447 A1451 F1452 V1453	M1176-W1449 HydrophobicContact CE-CH2 3.88Å; M1176-W1449 HydrophobicContact CE-CZ3 3.44Å; M1176-W1449 VanDerWaalsContact CE-CZ3 3.44Å; M1176-W1449 HydrophobicContact CG-CZ3 4.46Å; M1176-W1449 HydrophobicContact SD-CE3 4.44Å; M1176-W1449 HydrophobicContact SD-CH2 4.45Å; M1176-W1449 HydrophobicContact SD-CZ3 3.62Å; I1202-W1449 HydrophobicContact CD1-CE3 4.27Å; I1202-W1449 HydrophobicContact CG2-CH2 4.38Å; L1204-W1449 HydrophobicContact CD1-CH2 3.56Å; L1204-W1449 HydrophobicContact CD1-CZ2 4.17Å; L1204-W1449 HydrophobicContact CD2-CH2 4.28Å; L1204-W1449 HydrophobicContact CD2-CZ2 4.13Å; F1395-W1449 HydrophobicContact CE1-CZ2 4.07Å; F1395-W1449 AromaticContact CZ-CZ2 3.89Å; F1395-W1449 HydrophobicContact CZ-CZ2 3.89Å; V1421-W1449 HydrophobicContact CB-CH2 4.15Å; V1421-W1449 HydrophobicContact CB-CZ3 4.14Å; V1421-W1449 HydrophobicContact CG1-CE3 3.72Å; V1421-W1449 HydrophobicContact CG1-CH2 3.72Å; V1421-W1449 HydrophobicContact CG1-CZ3 3.26Å; V1421-W1449 HydrophobicContact CG2-CD2 4.2Å; V1421-W1449 HydrophobicContact CG2-CE3 4.13Å; V1421-W1449 HydrophobicContact CG2-CH2 3.28Å; V1421-W1449 HydrophobicContact CG2-CZ2 3.41Å; V1421-W1449 VanDerWaalsContact CG2-CZ2 3.41Å; V1421-W1449 HydrophobicContact CG2-CZ3 3.69Å; V1445-W1449 WeakPolarHBondContact O-CB 3.26Å; V1445-W1449 VanDerWaalsContact O-CD1 3.3Å; V1445-W1449 PolarHBondContact O-N 2.88Å; A1447-W1449 VanDerWaalsContact C-N 3.33Å; A1447-W1449 PolarHBondContact O-N 2.88Å; W1449-A1451 PolarHBondContact O-N 2.85Å; W1449-F1452 PolarHBondContact O-N 2.88Å; W1449-V1453 WeakPolarHBondContact O-CG2 3.33Å; W1449-V1453 PolarHBondContact O-N 2.59Å
1450	N	80.8	Confident	79.4	Confident	37 Å²	37	71.4 Å²	71.4	20%	0.198	32%	0.321	C	S	.	.	H	α-helix	trans	-62.2	-32.9	172.4	179.4	55.2	0	0	0	112.3	T1120 Q1122 I1446 A1447 R1454	T1120-N1450 WeakPolarHBondContact CB-OD1 3.44Å; T1120-N1450 HydrophobicContact CG2-CB 3.85Å; T1120-N1450 PolarHBondContact O-OD1 3.22Å; Q1122-N1450 PolarHBondContact NE2-OD1 3.15Å; I1446-N1450 WeakPolarHBondContact O-CB 3.31Å; I1446-N1450 PolarHBondContact O-N 2.95Å; A1447-N1450 PolarHBondContact O-N 3.26Å; N1450-R1454 VanDerWaalsContact O-CB 3.24Å; N1450-R1454 WeakPolarHBondContact O-CB 3.49Å; N1450-R1454 WeakPolarHBondContact O-CD 3.38Å; N1450-R1454 WeakPolarHBondContact O-CG 3.46Å; N1450-R1454 PolarHBondContact O-N 2.85Å; N1450-R1454 VanDerWaalsContact OD1-CD 3.25Å; N1450-R1454 WeakPolarHBondContact OD1-CD 3.44Å; N1450-R1454 PolarHBondContact OD1-NE 2.99Å
1451	A	79.5	Confident	79.2	Confident	54 Å²	54	68 Å²	68	45%	0.446	31%	0.311	S	S	.	.	H	α-helix	trans	-62.3	-56.8	170.1	0	0	0	0	0	110.7	A1447 R1448 W1449 V1453 R1454 D1455	A1447-A1451 PolarHBondContact O-N 2.89Å; R1448-A1451 WeakPolarHBondContact O-CB 3.33Å; R1448-A1451 PolarHBondContact O-N 3.13Å; W1449-A1451 PolarHBondContact O-N 2.85Å; A1451-V1453 VanDerWaalsContact C-N 3.3Å; A1451-V1453 PolarHBondContact O-N 3.13Å; A1451-R1454 PolarHBondContact O-N 2.9Å; A1451-D1455 PolarHBondContact O-N 2.74Å
1452	F	88.7	Confident	78.6	Confident	24 Å²	24	69.5 Å²	69.5	11%	0.105	32%	0.317	C	S	.	.	H	α-helix	trans	-55.5	-38.1	-179	177.8	-97.4	0	0	0	114.3	T1174 R1200 A1201 I1202 P1296 L1298 Y1393 R1448 W1449 R1454	T1174-F1452 HydrophobicContact CG2-CE1 4.47Å; R1200-F1452 HydrophobicContact CB-CE1 4.22Å; R1200-F1452 HydrophobicContact CB-CZ 4.36Å; R1200-F1452 WeakPolarHBondContact CD-O 3.43Å; A1201-F1452 WeakPolarHBondContact O-CZ 3.45Å; I1202-F1452 HydrophobicContact CD1-CD1 4.03Å; I1202-F1452 HydrophobicContact CD1-CE1 4.22Å; I1202-F1452 HydrophobicContact CG1-CD1 3.94Å; I1202-F1452 HydrophobicContact CG1-CE1 3.64Å; P1296-F1452 HydrophobicContact CB-CE2 3.91Å; P1296-F1452 HydrophobicContact CB-CZ 4.04Å; L1298-F1452 HydrophobicContact CB-CD1 3.99Å; L1298-F1452 HydrophobicContact CB-CD2 4.07Å; L1298-F1452 HydrophobicContact CB-CE1 3.78Å; L1298-F1452 HydrophobicContact CB-CE2 3.86Å; L1298-F1452 HydrophobicContact CB-CG 4.13Å; L1298-F1452 HydrophobicContact CB-CZ 3.71Å; L1298-F1452 HydrophobicContact CD2-CB 4.47Å; L1298-F1452 HydrophobicContact CD2-CD1 4.28Å; L1298-F1452 HydrophobicContact CD2-CG 4.25Å; Y1393-F1452 HydrophobicContact CD2-CD2 4.13Å; Y1393-F1452 AromaticContact CD2-CE2 3.88Å; Y1393-F1452 HydrophobicContact CD2-CE2 3.88Å; Y1393-F1452 HydrophobicContact CE2-CE2 4.34Å; R1448-F1452 PolarHBondContact O-N 2.86Å; W1449-F1452 PolarHBondContact O-N 2.88Å; F1452-R1454 VanDerWaalsContact C-N 3.35Å
1453	V	83.7	Confident	77.9	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.006	34%	0.339	C	S	.	.	H	α-helix	trans	-75.6	-22.6	178.1	177	0	0	0	0	112.8	P1091 L1093 Q1122 T1174 I1202 W1449 A1451	P1091-V1453 HydrophobicContact CB-CG1 3.84Å; L1093-V1453 HydrophobicContact CD1-CG2 4.14Å; Q1122-V1453 HydrophobicContact CG-CG1 4.39Å; T1174-V1453 HydrophobicContact CG2-CG2 4.26Å; I1202-V1453 HydrophobicContact CD1-CG2 4.24Å; W1449-V1453 WeakPolarHBondContact O-CG2 3.33Å; W1449-V1453 PolarHBondContact O-N 2.59Å; A1451-V1453 VanDerWaalsContact C-N 3.3Å; A1451-V1453 PolarHBondContact O-N 3.13Å
1454	R	71.3	Confident	77.7	Confident	104 Å²	104	74.7 Å²	74.7	39%	0.392	34%	0.344	S	S	.	.	H	α-helix	trans	-95.9	-29.3	-179.3	-75.7	176.7	167.8	-84.8	-6.4	114.5	P1091 T1120 N1450 A1451 F1452	P1091-R1454 HydrophobicContact CG-CG 4.36Å; T1120-R1454 PolarHBondContact O-NE 2.84Å; T1120-R1454 PolarHBondContact O-NH2 3.24Å; N1450-R1454 VanDerWaalsContact O-CB 3.24Å; N1450-R1454 WeakPolarHBondContact O-CB 3.49Å; N1450-R1454 WeakPolarHBondContact O-CD 3.38Å; N1450-R1454 WeakPolarHBondContact O-CG 3.46Å; N1450-R1454 PolarHBondContact O-N 2.85Å; N1450-R1454 VanDerWaalsContact OD1-CD 3.25Å; N1450-R1454 WeakPolarHBondContact OD1-CD 3.44Å; N1450-R1454 PolarHBondContact OD1-NE 2.99Å; A1451-R1454 PolarHBondContact O-N 2.9Å; F1452-R1454 VanDerWaalsContact C-N 3.35Å
1455	D	60.2	Low	77.1	Confident	106 Å²	106	72.8 Å²	72.8	57%	0.567	34%	0.335	S	S	*	.			trans	-65.1	133.3	-171.4	-142.8	-6.4	0	0	0	110.9	R1200 A1451	R1200-D1455 VanDerWaalsContact CZ-O 3.24Å; R1200-D1455 PolarHBondContact NE-O 3.21Å; R1200-D1455 VanDerWaalsContact NE-O 3.17Å; R1200-D1455 PolarHBondContact NH2-O 3.24Å; A1451-D1455 PolarHBondContact O-N 2.74Å
1456	R	43.1	Very low	76	Confident	265 Å²	265	78 Å²	78	100%	1	36%	0.357	S	S	*	.			trans	-110.6	0	-161.6	-100.3	-165.5	173.6	-161.1	-1.4	113.4

Retrieved 1,456 of 1,456 residues in 600.2 ms (Link to these results)

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