A0A077ZBM8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZBM8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,001 aa.

						>A0A077ZBM8_TRITR|A0A077ZBM8
MFPENSTTSSCTPQRGAENNTDPFALHGKVVKALASLWQPQGTMPITPDLEGMPTLSETAYQTTAENGDGRYNIRQSYSTLSFLRFYCKGADDWEWLIYTTRLLGTCAAPREFIDVRARVSDTPKLIDQNTVKGRQGVYDNGDDWPFDPLERSMRYIAQRLAASPPNSYDEDVFLRLIQIGMLVPNIDSMKEDRLTYAVNPEFVGGTFSFGPCSPRHVYRVEATALPLDRYVDVCRGSSSFTGQFAPEYWDKSVAVIPVRRSDQGSWLIPYTFAHLTSKIFNAQTPVLSVTRGRTRLDAVPLASLSVIPGPERVLFVLLDATASDRLRFWRPGSAGLILQVPVCNLYGSRPESTSLERLFWDWLNSGSADRDVGIAWKNLAARSQAGLKPLSAIMMAAELFTRKFWPKALPSGSASDPGVVDLNNFATKDSATVHDGFSISENAKLTEHVVEMPDIEPCDQWVLFWAAPHLHNERPYSYLALFNQESDDIAETFWHPSLPTIVPYIVELRNAPQLQLPNDTAVDVDWAVVVESNFDRHFDVVPCASREAAYTFLMSRDETDTLISHAEPQEAPSCACKTSALIKRLHPFDIGRSTTAPTLNKCGRWWTETKAASDRIARQCGCPELYLAYETDLESDSDAVAAFQPLVFCRSSPHMRTWTAEWSVNKSGVTMTHVGDVKRSQMLLNCDSPDLLYDYSVCTGSHLHRLGNALGFNKADGETPDFFSAKQMSMFVRQVASLAGGLFEVLAAFNGFNATMVMGLYSEIANGRTIKTLDALWIPTFGHISGWEVNRNNWRLLGGLESPSVLLRGDDRAKWHNVFFGLTPHYEIKILLMKLGIWSDDGWWPRDLSTLFEQHGIQIDSGNLCLLEMQVGESLSARNCVPRAIFFHYDDQAKWLPKEAIAFGGPWQLFDHCAHYSTQCCCSYGSSMPHIKMITPFGVLVHPICPPRFMQMCNSVLSSALWIDTVESENGGCETKVTSDYLSIYSEQTTYILSLIQGSR
					

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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	25.7	Very low	26.6	Very low	245 Å²	245	143.9 Å²	143.9	100%	1.207	83%	0.828	S	S	*	*				0	144.3	0	-107.8	172.1	-179.7	0	0	107.7
2	F	24.6	Very low	26.6	Very low	189 Å²	189	142.8 Å²	142.8	83%	0.829	83%	0.825	S	S	*	*			trans	-52.7	160.8	179.5	-71.5	-80.9	0	0	0	113.9
3	P	36	Very low	26.7	Very low	118 Å²	118	141.6 Å²	141.6	77%	0.766	83%	0.826	S	S	*	*			cis	-138.3	146.6	25.1	37.7	-18.3	0	0	0	118.9
4	E	25.4	Very low	26.7	Very low	169 Å²	169	145.3 Å²	145.3	79%	0.79	83%	0.831	S	S	*	*			trans	-70.8	143.4	143.3	-62.9	175.6	122	0	0	109.7
5	N	27.6	Very low	26.6	Very low	147 Å²	147	152 Å²	152	79%	0.786	84%	0.838	S	S	*	*			trans	177	98.1	146.3	-91.3	-26.7	0	0	0	107.4
6	S	26.7	Very low	26.5	Very low	94 Å²	94	147.7 Å²	147.7	66%	0.657	84%	0.839	S	S	*	*				69.2	101.2	80.4	77.7	0	0	0	0	114.3
7	T	27.8	Very low	26.6	Very low	146 Å²	146	144.9 Å²	144.9	90%	0.896	84%	0.839	S	S	*	*			trans	-157.8	103	144.8	12.6	0	0	0	0	110.5	S9	T7-S9 PolarHBondContact O-N 2.79Å
8	T	24	Very low	26.7	Very low	139 Å²	139	146.1 Å²	146.1	85%	0.853	84%	0.835	S	S	*	*			trans	-62.9	127.7	166.2	43.4	0	0	0	0	110.8
9	S	27.2	Very low	26.8	Very low	110 Å²	110	147.2 Å²	147.2	77%	0.769	84%	0.838	S	S	*	*			trans	-119.8	88.3	162.3	-173.4	0	0	0	0	109.7	T7 C11	T7-S9 PolarHBondContact O-N 2.79Å; S9-C11 PolarHBondContact O-N 3.46Å
10	S	23.2	Very low	26.9	Very low	111 Å²	111	146.6 Å²	146.6	78%	0.776	83%	0.832	S	S	*	*			trans	-84.7	85.8	176	56.2	0	0	0	0	110.6
11	C	24.7	Very low	27.1	Very low	115 Å²	115	145.8 Å²	145.8	78%	0.777	83%	0.83	S	S	*	*			trans	-101	99.6	164.1	-83.4	0	0	0	0	109.7	S9	S9-C11 PolarHBondContact O-N 3.46Å
12	T	26.1	Very low	27.2	Very low	130 Å²	130	139.1 Å²	139.1	80%	0.798	80%	0.8	S	S	*	*			trans	-65.1	137.3	175.6	21.5	0	0	0	0	111.4	Q14	T12-Q14 PolarHBondContact O-N 3.31Å
13	P	28.2	Very low	27.6	Very low	128 Å²	128	134.9 Å²	134.9	83%	0.831	79%	0.791	S	S	*	*			trans	-76.9	112.1	-174.6	29.5	-34.2	0	0	0	111.8
14	Q	27.4	Very low	27.2	Very low	193 Å²	193	137.4 Å²	137.4	90%	0.902	79%	0.79	S	S	*	*			trans	-89.9	105.3	168	-79.5	-167.2	-15.6	0	0	111.7	T12	T12-Q14 PolarHBondContact O-N 3.31Å
15	R	25.2	Very low	27.4	Very low	246 Å²	246	132.7 Å²	132.7	93%	0.928	78%	0.78	S	S	*	*			trans	10.8	125.8	151.2	-70.1	178.3	168.6	-179.9	-4.5	118.8
16	G	24.8	Very low	27.6	Very low	83 Å²	83	131.5 Å²	131.5	86%	0.856	77%	0.773	S	S	*	*				110.1	102.8	109.4	0	0	0	0	0	117.8
17	A	27.6	Very low	27.5	Very low	101 Å²	101	133.4 Å²	133.4	84%	0.835	77%	0.771	S	S	*	*			trans	-145.9	129	149.3	0	0	0	0	0	108.8
18	E	27.9	Very low	27.5	Very low	166 Å²	166	128.5 Å²	128.5	78%	0.776	75%	0.75	S	S	*	*			trans	-80.4	122.8	-168.8	-61.3	166	156.2	0	0	112	N20	E18-N20 PolarHBondContact O-N 3.17Å
19	N	28.6	Very low	28	Very low	167 Å²	167	129 Å²	129	89%	0.893	74%	0.741	S	S	*	*			trans	-77.2	73	165	-85.3	-21.5	0	0	0	110.4
20	N	28.7	Very low	28.2	Very low	134 Å²	134	127.2 Å²	127.2	72%	0.717	73%	0.725	S	S	*	*			trans	-91.2	91.4	170.7	-93.8	-39.4	0	0	0	110.4	E18	E18-N20 PolarHBondContact O-N 3.17Å
21	T	32.1	Very low	28.5	Very low	130 Å²	130	125.8 Å²	125.8	80%	0.798	71%	0.711	S	S	*	*			trans	-119.8	93.8	167.8	30	0	0	0	0	111.7
22	D	27.6	Very low	28.7	Very low	106 Å²	106	128.1 Å²	128.1	57%	0.567	71%	0.708	S	S	*	*			trans	-59.6	123.2	177.7	-173.5	-12.6	0	0	0	112.1	F24	D22-F24 VanDerWaalsContact C-N 3.31Å; D22-F24 PolarHBondContact O-N 3.03Å; D22-F24 WeakPolarHBondContact OD1-CD2 3.33Å
23	P	33.2	Very low	29	Very low	99 Å²	99	124.1 Å²	124.1	64%	0.643	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-9	-165.3	26.3	-35.4	0	0	0	116.4	A25 L26	P23-A25 PolarHBondContact O-N 3.16Å; P23-A25 VanDerWaalsContact O-N 3.09Å; P23-L26 PolarHBondContact O-N 3.37Å
24	F	27.3	Very low	28.9	Very low	171 Å²	171	121.9 Å²	121.9	75%	0.75	67%	0.669	S	S	*	*	H	α-helix	trans	-64.7	-16.7	-174.6	-79.2	-80.5	0	0	0	115.3	D22 L26	D22-F24 VanDerWaalsContact C-N 3.31Å; D22-F24 PolarHBondContact O-N 3.03Å; D22-F24 WeakPolarHBondContact OD1-CD2 3.33Å; F24-L26 VanDerWaalsContact C-N 3.3Å; F24-L26 PolarHBondContact O-N 2.85Å
25	A	29.8	Very low	28.8	Very low	70 Å²	70	115.8 Å²	115.8	58%	0.579	65%	0.651	S	S	*	*	H	α-helix	trans	-70.3	-23.7	172.6	0	0	0	0	0	113.6	P23 K29	P23-A25 PolarHBondContact O-N 3.16Å; P23-A25 VanDerWaalsContact O-N 3.09Å; A25-K29 WeakPolarHBondContact O-CG 3.19Å; A25-K29 PolarHBondContact O-N 3.33Å
26	L	31.2	Very low	28.9	Very low	123 Å²	123	108.5 Å²	108.5	64%	0.644	64%	0.638	S	S	*	*	H	α-helix	trans	-73	-42.4	-177.3	-141.2	86.8	0	0	0	111.5	P23 F24 G28 K29 V30	P23-L26 PolarHBondContact O-N 3.37Å; F24-L26 VanDerWaalsContact C-N 3.3Å; F24-L26 PolarHBondContact O-N 2.85Å; L26-G28 VanDerWaalsContact C-N 3.33Å; L26-G28 PolarHBondContact O-N 3.35Å; L26-K29 WeakPolarHBondContact O-CB 3.33Å; L26-K29 PolarHBondContact O-N 2.98Å; L26-K29 VanDerWaalsContact O-N 3.09Å; L26-V30 WeakPolarHBondContact O-CG2 3.43Å; L26-V30 PolarHBondContact O-N 3.08Å
27	H	25.8	Very low	29	Very low	133 Å²	133	110.1 Å²	110.1	62%	0.616	63%	0.626	S	S	*	*	H	α-helix	trans	-62.6	-40.3	-179.5	-164.9	-3.3	0	0	0	111.8	V30 V31	H27-V30 PolarHBondContact O-N 3.42Å; H27-V31 WeakPolarHBondContact O-CG2 3.34Å; H27-V31 PolarHBondContact O-N 3.4Å
28	G	27.4	Very low	28.7	Very low	43 Å²	43	110.9 Å²	110.9	44%	0.443	61%	0.608	S	S	.	*	H	α-helix	trans	-66.1	-32.9	173.6	0	0	0	0	0	113.9	L26 K32	L26-G28 VanDerWaalsContact C-N 3.33Å; L26-G28 PolarHBondContact O-N 3.35Å; G28-K32 WeakPolarHBondContact O-CB 3.42Å; G28-K32 PolarHBondContact O-N 3.39Å; G28-K32 VanDerWaalsContact O-N 3.11Å
29	K	33.8	Very low	28.4	Very low	151 Å²	151	110.2 Å²	110.2	66%	0.657	60%	0.604	S	S	*	*	H	α-helix	trans	-70.5	-41	171.7	-77.3	-178.5	178.6	-179.4	0	112.2	A25 L26 K32 A33	A25-K29 WeakPolarHBondContact O-CG 3.19Å; A25-K29 PolarHBondContact O-N 3.33Å; L26-K29 WeakPolarHBondContact O-CB 3.33Å; L26-K29 PolarHBondContact O-N 2.98Å; L26-K29 VanDerWaalsContact O-N 3.09Å; K29-K32 PolarHBondContact O-N 2.75Å; K29-A33 WeakPolarHBondContact O-CB 3.49Å; K29-A33 PolarHBondContact O-N 2.88Å
30	V	31.5	Very low	28.1	Very low	72 Å²	72	108 Å²	108	44%	0.436	60%	0.599	S	S	.	*	H	α-helix	trans	-65.8	-44.1	178	172.1	0	0	0	0	111.2	L26 H27 K32 A33 L34	L26-V30 WeakPolarHBondContact O-CG2 3.43Å; L26-V30 PolarHBondContact O-N 3.08Å; H27-V30 PolarHBondContact O-N 3.42Å; V30-K32 PolarHBondContact O-N 3.01Å; V30-A33 PolarHBondContact O-N 3.2Å; V30-L34 HydrophobicContact CG1-CD1 4.02Å; V30-L34 WeakPolarHBondContact O-CB 3.49Å; V30-L34 WeakPolarHBondContact O-CG 3.46Å; V30-L34 PolarHBondContact O-N 2.91Å
31	V	28.8	Very low	27.9	Very low	80 Å²	80	108.5 Å²	108.5	49%	0.485	60%	0.597	S	S	.	*	H	α-helix	trans	-66.3	-36.8	175.8	175.8	0	0	0	0	111.4	H27 A35	H27-V31 WeakPolarHBondContact O-CG2 3.34Å; H27-V31 PolarHBondContact O-N 3.4Å; V31-A35 WeakPolarHBondContact O-CB 3.45Å; V31-A35 PolarHBondContact O-N 2.99Å
32	K	28.9	Very low	27.5	Very low	165 Å²	165	105.8 Å²	105.8	72%	0.717	60%	0.595	S	S	*	*	H	α-helix	trans	-65.7	-39.4	171.4	-88.2	-174.3	171	-179	0	113.2	G28 K29 V30 A35 S36	G28-K32 WeakPolarHBondContact O-CB 3.42Å; G28-K32 PolarHBondContact O-N 3.39Å; G28-K32 VanDerWaalsContact O-N 3.11Å; K29-K32 PolarHBondContact O-N 2.75Å; V30-K32 PolarHBondContact O-N 3.01Å; K32-A35 PolarHBondContact O-N 2.94Å; K32-S36 PolarHBondContact O-N 3.21Å; K32-S36 PolarHBondContact O-OG 3.2Å; K32-S36 VanDerWaalsContact O-OG 3.07Å
33	A	32.3	Very low	27.3	Very low	45 Å²	45	107.3 Å²	107.3	37%	0.372	61%	0.608	S	S	.	*	H	α-helix	trans	-64	-44.8	176	0	0	0	0	0	111.4	K29 V30 A35 S36 L37	K29-A33 WeakPolarHBondContact O-CB 3.49Å; K29-A33 PolarHBondContact O-N 2.88Å; V30-A33 PolarHBondContact O-N 3.2Å; A33-A35 VanDerWaalsContact C-N 3.34Å; A33-A35 PolarHBondContact O-N 3.09Å; A33-S36 WeakPolarHBondContact CA-OG 3.49Å; A33-S36 PolarHBondContact O-N 2.61Å; A33-S36 PolarHBondContact O-OG 2.84Å; A33-L37 WeakPolarHBondContact O-CB 3.44Å; A33-L37 WeakPolarHBondContact O-CG 3.32Å; A33-L37 PolarHBondContact O-N 3.13Å
34	L	26.3	Very low	26.9	Very low	82 Å²	82	110.6 Å²	110.6	43%	0.429	62%	0.617	S	S	.	*	H	α-helix	trans	-66.1	-30.6	173.2	-70.3	171.4	0	0	0	112.7	V30 Y696	V30-L34 HydrophobicContact CG1-CD1 4.02Å; V30-L34 WeakPolarHBondContact O-CB 3.49Å; V30-L34 WeakPolarHBondContact O-CG 3.46Å; V30-L34 PolarHBondContact O-N 2.91Å; L34-Y696 HydrophobicContact CB-CE2 4.17Å; L34-Y696 HydrophobicContact CD2-CD2 4.09Å; L34-Y696 HydrophobicContact CD2-CE2 4Å; L34-Y696 VanDerWaalsContact O-CE2 3.24Å; L34-Y696 WeakPolarHBondContact O-CE2 3.49Å; L34-Y696 VanDerWaalsContact O-CZ 3.3Å; L34-Y696 PolarHBondContact O-OH 2.66Å
35	A	25.6	Very low	26.7	Very low	64 Å²	64	107.3 Å²	107.3	53%	0.529	61%	0.613	S	S	.	*	H	α-helix	trans	-73.6	-39.7	173.3	0	0	0	0	0	112.1	V31 K32 A33 L37 W38	V31-A35 WeakPolarHBondContact O-CB 3.45Å; V31-A35 PolarHBondContact O-N 2.99Å; K32-A35 PolarHBondContact O-N 2.94Å; A33-A35 VanDerWaalsContact C-N 3.34Å; A33-A35 PolarHBondContact O-N 3.09Å; A35-L37 VanDerWaalsContact C-N 3.32Å; A35-L37 PolarHBondContact O-N 2.88Å; A35-W38 PolarHBondContact O-N 3.41Å
36	S	28	Very low	26.6	Very low	93 Å²	93	111.6 Å²	111.6	65%	0.65	63%	0.625	S	S	*	*	H	α-helix	trans	-73.3	-20.1	178.7	56.1	0	0	0	0	114.5	K32 A33 W38	K32-S36 PolarHBondContact O-N 3.21Å; K32-S36 PolarHBondContact O-OG 3.2Å; K32-S36 VanDerWaalsContact O-OG 3.07Å; A33-S36 WeakPolarHBondContact CA-OG 3.49Å; A33-S36 PolarHBondContact O-N 2.61Å; A33-S36 PolarHBondContact O-OG 2.84Å; S36-W38 PolarHBondContact O-N 3.41Å
37	L	26	Very low	26.3	Very low	117 Å²	117	110.8 Å²	110.8	61%	0.613	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-5.8	174	-80.4	164.1	0	0	0	113.2	A33 A35 Y696	A33-L37 WeakPolarHBondContact O-CB 3.44Å; A33-L37 WeakPolarHBondContact O-CG 3.32Å; A33-L37 PolarHBondContact O-N 3.13Å; A35-L37 VanDerWaalsContact C-N 3.32Å; A35-L37 PolarHBondContact O-N 2.88Å; L37-Y696 WeakPolarHBondContact CA-OH 3.43Å; L37-Y696 HydrophobicContact CB-CE1 4.17Å; L37-Y696 WeakPolarHBondContact CB-OH 3.44Å; L37-Y696 PolarHBondContact O-OH 3.16Å
38	W	21.8	Very low	26.3	Very low	118 Å²	118	107.4 Å²	107.4	45%	0.447	61%	0.614	S	S	.	*			trans	-123.6	48.9	-175.8	-106.5	-14.3	0	0	0	114.7	A35 S36 Y694 D695 Y696	A35-W38 PolarHBondContact O-N 3.41Å; S36-W38 PolarHBondContact O-N 3.41Å; W38-Y694 WeakPolarHBondContact CH2-O 3.42Å; W38-D695 VanDerWaalsContact CZ2-C 3.49Å; W38-D695 VanDerWaalsContact CZ2-O 3.31Å; W38-D695 WeakPolarHBondContact CZ2-O 3.37Å; W38-Y696 HydrophobicContact CB-CE2 4.48Å; W38-Y696 WeakPolarHBondContact CB-OH 3.39Å; W38-Y696 AromaticContact CD1-CE1 3.7Å; W38-Y696 AromaticContact CD1-CZ 3.86Å; W38-Y696 HydrophobicContact CD2-CD1 4.12Å; W38-Y696 AromaticContact CD2-CD2 3.9Å; W38-Y696 HydrophobicContact CD2-CD2 3.9Å; W38-Y696 AromaticContact CD2-CE1 3.61Å; W38-Y696 HydrophobicContact CD2-CE1 3.61Å; W38-Y696 AromaticContact CD2-CE2 3.38Å; W38-Y696 HydrophobicContact CD2-CE2 3.38Å; W38-Y696 HydrophobicContact CD2-CG 4.23Å; W38-Y696 AromaticContact CD2-CZ 3.21Å; W38-Y696 AromaticContact CE2-CD1 3.62Å; W38-Y696 AromaticContact CE2-CD2 3.95Å; W38-Y696 AromaticContact CE2-CE1 3.51Å; W38-Y696 AromaticContact CE2-CE2 3.86Å; W38-Y696 AromaticContact CE2-CG 3.83Å; W38-Y696 AromaticContact CE2-CZ 3.63Å; W38-Y696 AromaticContact CE3-CD2 3.58Å; W38-Y696 HydrophobicContact CE3-CD2 3.58Å; W38-Y696 HydrophobicContact CE3-CE1 4.27Å; W38-Y696 AromaticContact CE3-CE2 3.13Å; W38-Y696 HydrophobicContact CE3-CE2 3.13Å; W38-Y696 HydrophobicContact CE3-CG 4.31Å; W38-Y696 AromaticContact CE3-CZ 3.52Å; W38-Y696 AromaticContact CG-CE1 3.72Å; W38-Y696 HydrophobicContact CG-CE1 3.72Å; W38-Y696 HydrophobicContact CG-CE2 4.01Å; W38-Y696 AromaticContact CG-CZ 3.37Å; W38-Y696 HydrophobicContact CH2-CD1 4.21Å; W38-Y696 AromaticContact CH2-CD2 3.35Å; W38-Y696 HydrophobicContact CH2-CD2 3.35Å; W38-Y696 AromaticContact CH2-CE2 3.85Å; W38-Y696 HydrophobicContact CH2-CE2 3.85Å; W38-Y696 AromaticContact CH2-CG 3.56Å; W38-Y696 HydrophobicContact CH2-CG 3.56Å; W38-Y696 AromaticContact CZ2-CD1 3.69Å; W38-Y696 HydrophobicContact CZ2-CD1 3.69Å; W38-Y696 AromaticContact CZ2-CD2 3.72Å; W38-Y696 HydrophobicContact CZ2-CD2 3.72Å; W38-Y696 HydrophobicContact CZ2-CE1 4.06Å; W38-Y696 HydrophobicContact CZ2-CE2 4.1Å; W38-Y696 AromaticContact CZ2-CG 3.5Å; W38-Y696 HydrophobicContact CZ2-CG 3.5Å; W38-Y696 VanDerWaalsContact CZ2-CG 3.5Å; W38-Y696 AromaticContact CZ3-CD2 3.29Å; W38-Y696 HydrophobicContact CZ3-CD2 3.29Å; W38-Y696 AromaticContact CZ3-CE2 3.39Å; W38-Y696 HydrophobicContact CZ3-CE2 3.39Å; W38-Y696 AromaticContact CZ3-CG 3.99Å; W38-Y696 HydrophobicContact CZ3-CG 3.99Å; W38-Y696 PolarHBondContact N-OH 2.9Å; W38-Y696 AromaticContact NE1-CD1 3.9Å; W38-Y696 AromaticContact NE1-CE1 3.58Å
39	Q	21.3	Very low	26.3	Very low	152 Å²	152	111.9 Å²	111.9	71%	0.71	63%	0.629	S	S	*	*			trans	-121.3	91	157.6	-69.8	-157.8	-12	0	0	110.7	Q41	Q39-Q41 PolarHBondContact O-N 3.31Å; Q39-Q41 VanDerWaalsContact O-N 3.17Å
40	P	23.7	Very low	25.9	Very low	119 Å²	119	108.2 Å²	108.2	77%	0.773	62%	0.615	S	S	*	*			trans	-73	106	174.7	29.8	-32.4	0	0	0	109.8
41	Q	22.8	Very low	25.6	Very low	145 Å²	145	114 Å²	114	68%	0.678	64%	0.638	S	S	*	*			trans	-118	109.5	167.2	-67.6	-162.1	9.3	0	0	109.6	Q39	Q39-Q41 PolarHBondContact O-N 3.31Å; Q39-Q41 VanDerWaalsContact O-N 3.17Å
42	G	25.3	Very low	25.5	Very low	74 Å²	74	112.2 Å²	112.2	76%	0.763	64%	0.635	S	S	*	*			trans	143.1	21.5	178	0	0	0	0	0	116.7	M44	G42-M44 PolarHBondContact O-N 2.95Å
43	T	22.5	Very low	25.2	Very low	137 Å²	137	107.8 Å²	107.8	84%	0.84	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-60	129.5	164.3	34.2	0	0	0	0	109.6
44	M	24.8	Very low	24.9	Very low	168 Å²	168	109.2 Å²	109.2	83%	0.828	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-63	129.1	-174.2	-160.5	176.6	-159	0	0	110.8	G42	G42-M44 PolarHBondContact O-N 2.95Å
45	P	23.4	Very low	24.8	Very low	102 Å²	102	111.1 Å²	111.1	66%	0.662	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-66.5	141.7	177	26.7	-33.1	0	0	0	110.9	T47	P45-T47 PolarHBondContact O-N 2.75Å; P45-T47 VanDerWaalsContact O-N 3.11Å
46	I	27.4	Very low	24.7	Very low	161 Å²	161	114.3 Å²	114.3	83%	0.826	65%	0.646	S	S	*	*	S	Bend	trans	-70.5	-11.2	-164.5	-67.4	169.3	0	0	0	113.6
47	T	24.1	Very low	24.4	Very low	106 Å²	106	114.7 Å²	114.7	65%	0.65	65%	0.649	S	S	*	*			trans	-127.9	103.8	-177.1	44.3	0	0	0	0	111.4	P45	P45-T47 PolarHBondContact O-N 2.75Å; P45-T47 VanDerWaalsContact O-N 3.11Å
48	P	27.6	Very low	24.3	Very low	61 Å²	61	118.4 Å²	118.4	40%	0.396	66%	0.663	S	S	.	*			trans	-86.3	118.3	178.3	31.3	-32.2	0	0	0	112.3	R155	P48-R155 HydrophobicContact CG-CG 4.23Å; P48-R155 VanDerWaalsContact O-CZ 3.24Å; P48-R155 PolarHBondContact O-NE 2.76Å; P48-R155 PolarHBondContact O-NH2 3.14Å; P48-R155 VanDerWaalsContact O-NH2 3.08Å
49	D	25.8	Very low	24.4	Very low	138 Å²	138	118.8 Å²	118.8	74%	0.738	68%	0.679	S	S	*	*			trans	-73.2	176.3	-179.2	-83.7	-41.2	0	0	0	114.9	R155	D49-R155 PolarHBondContact O-NH2 3.14Å
50	L	26.2	Very low	24.5	Very low	73 Å²	73	116 Å²	116	38%	0.382	68%	0.682	S	S	.	*	G	3₁₀ helix	trans	-72.9	-28.3	-165.3	-81.7	141.4	0	0	0	116.2	G52 F147 E151	L50-G52 PolarHBondContact O-N 3.29Å; L50-F147 HydrophobicContact CD1-CE1 3.74Å; L50-F147 HydrophobicContact CD1-CZ 3.9Å; L50-F147 HydrophobicContact CD2-CD1 3.54Å; L50-F147 HydrophobicContact CD2-CE1 3.42Å; L50-F147 VanDerWaalsContact CD2-CE1 3.42Å; L50-F147 HydrophobicContact CD2-CG 4.5Å; L50-F147 HydrophobicContact CD2-CZ 4.27Å; L50-F147 HydrophobicContact CG-CE1 4.24Å; L50-E151 WeakPolarHBondContact CD2-OE1 3.08Å
51	E	25.6	Very low	24.4	Very low	195 Å²	195	119.3 Å²	119.3	91%	0.911	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-75.6	15.8	-173.3	-59.9	-172.4	164.6	0	0	114.5
52	G	26.3	Very low	24.4	Very low	41 Å²	41	118.8 Å²	118.8	42%	0.423	68%	0.678	S	S	.	*	G	3₁₀ helix	trans	-120.1	12.5	-165.3	0	0	0	0	0	117.8	L50	L50-G52 PolarHBondContact O-N 3.29Å
53	M	21.8	Very low	24.2	Very low	72 Å²	72	121.4 Å²	121.4	36%	0.355	68%	0.679	S	S	.	*			trans	-125.4	109.4	-173.8	-66.2	-155.9	172.8	0	0	115	E151 M154 R155	M53-E151 HydrophobicContact CB-CG 3.97Å; M53-E151 HydrophobicContact CG-CG 4.21Å; M53-E151 HydrophobicContact SD-CG 3.67Å; M53-M154 HydrophobicContact CE-CB 4.36Å; M53-M154 HydrophobicContact SD-CB 3.94Å; M53-R155 HydrophobicContact CE-CB 3.86Å; M53-R155 HydrophobicContact CE-CG 4.38Å
54	P	26.6	Very low	24.2	Very low	75 Å²	75	121.2 Å²	121.2	49%	0.487	68%	0.678	S	S	.	*			trans	-93.1	168.2	172.6	-7.1	27	0	0	0	115	T773 L777	P54-T773 HydrophobicContact CG-CG2 3.75Å; P54-L777 HydrophobicContact CG-CD1 3.98Å
55	T	23.7	Very low	24.2	Very low	122 Å²	122	117 Å²	117	75%	0.748	67%	0.67	S	S	*	*			trans	-103.1	161.8	-160.4	44.9	0	0	0	0	117.1
56	L	24	Very low	24.4	Very low	131 Å²	131	121 Å²	121	69%	0.686	68%	0.679	S	S	*	*			trans	-98.8	84.5	-166.3	-71.2	159	0	0	0	114.1	L150	L56-L150 HydrophobicContact CD1-CD1 4.29Å; L56-L150 HydrophobicContact CD1-CD2 4.4Å
57	S	22.5	Very low	24.4	Very low	102 Å²	102	121.3 Å²	121.3	71%	0.713	68%	0.683	S	S	*	*			trans	-122.5	5.3	176.4	58.4	0	0	0	0	116	T59	S57-T59 PolarHBondContact O-N 3.12Å
58	E	24.4	Very low	24.4	Very low	194 Å²	194	118.3 Å²	118.3	91%	0.907	67%	0.673	S	S	*	*			trans	-88.5	84.7	-176.9	-64.1	-174.9	173.5	0	0	112.9
59	T	22.3	Very low	24.4	Very low	127 Å²	127	122.2 Å²	122.2	78%	0.779	69%	0.69	S	S	*	*			trans	-127.2	109.6	169.4	51.9	0	0	0	0	112.4	S57	S57-T59 PolarHBondContact O-N 3.12Å
60	A	23.1	Very low	24.2	Very low	93 Å²	93	118.5 Å²	118.5	77%	0.769	69%	0.685	S	S	*	*			trans	-81.6	128.4	173.6	0	0	0	0	0	111.8
61	Y	22.2	Very low	24.1	Very low	189 Å²	189	124.1 Å²	124.1	74%	0.741	70%	0.701	S	S	*	*			trans	-105	142.1	175.8	-122.6	-87.6	0	0	0	111.4
62	Q	23.6	Very low	23.9	Very low	134 Å²	134	125.7 Å²	125.7	63%	0.626	70%	0.7	S	S	*	*			trans	-83.7	141	175.6	-64.3	171.2	-47.6	0	0	110.6
63	T	21.2	Very low	23.8	Very low	129 Å²	129	130.3 Å²	130.3	79%	0.791	72%	0.715	S	S	*	*			trans	-134.9	129.1	157.3	39.3	0	0	0	0	111.2
64	T	22.9	Very low	23.8	Very low	133 Å²	133	134.4 Å²	134.4	82%	0.816	74%	0.737	S	S	*	*			trans	58.3	75.4	160.7	60.1	0	0	0	0	118
65	A	24.7	Very low	23.7	Very low	79 Å²	79	140.3 Å²	140.3	65%	0.653	75%	0.749	S	S	*	*			trans	-87.5	106.6	147.3	0	0	0	0	0	109	N67 G68	A65-N67 PolarHBondContact O-N 3.2Å; A65-G68 WeakPolarHBondContact CB-O 3.48Å
66	E	26.1	Very low	23.7	Very low	185 Å²	185	142.7 Å²	142.7	86%	0.864	75%	0.752	S	S	*	*	S	Bend	trans	-77.3	98.4	166	-70.1	-169.3	150.9	0	0	108.8
67	N	27.8	Very low	23.5	Very low	168 Å²	168	140.7 Å²	140.7	90%	0.898	75%	0.749	S	S	*	*	S	Bend	trans	77.3	41.9	170.5	-49.5	-36.6	0	0	0	117.7	A65	A65-N67 PolarHBondContact O-N 3.2Å
68	G	24.7	Very low	23.5	Very low	43 Å²	43	145.1 Å²	145.1	44%	0.443	75%	0.751	S	S	.	*			trans	-155.6	107.2	165.6	0	0	0	0	0	113.4	A65 G70	A65-G68 WeakPolarHBondContact CB-O 3.48Å; G68-G70 VanDerWaalsContact C-N 3.34Å; G68-G70 PolarHBondContact O-N 3.02Å
69	D	26.8	Very low	23.3	Very low	143 Å²	143	140.8 Å²	140.8	77%	0.765	74%	0.743	S	S	*	*			trans	-71.4	-5.7	-153.2	-64.3	29.3	0	0	0	118.2	R71	D69-R71 VanDerWaalsContact C-N 3.35Å; D69-R71 VanDerWaalsContact O-CG 3.26Å; D69-R71 WeakPolarHBondContact O-CG 3.23Å; D69-R71 PolarHBondContact O-N 2.88Å
70	G	22.3	Very low	23.2	Very low	60 Å²	60	140.9 Å²	140.9	62%	0.619	74%	0.743	S	S	*	*			trans	51.7	30.2	160.9	0	0	0	0	0	119.4	G68	G68-G70 VanDerWaalsContact C-N 3.34Å; G68-G70 PolarHBondContact O-N 3.02Å
71	R	23	Very low	23.2	Very low	191 Å²	191	142.9 Å²	142.9	72%	0.721	74%	0.74	S	S	*	*			trans	-118.2	34.7	-170.1	-77.5	172.9	-154.7	-148.8	9.2	115.9	D69	D69-R71 VanDerWaalsContact C-N 3.35Å; D69-R71 VanDerWaalsContact O-CG 3.26Å; D69-R71 WeakPolarHBondContact O-CG 3.23Å; D69-R71 PolarHBondContact O-N 2.88Å
72	Y	22.5	Very low	23.1	Very low	229 Å²	229	135.9 Å²	135.9	90%	0.898	72%	0.719	S	S	*	*			trans	-88.9	113.3	168.9	-67.8	-84	0	0	0	109.8
73	N	23.8	Very low	23	Very low	138 Å²	138	134.8 Å²	134.8	74%	0.738	71%	0.712	S	S	*	*			trans	-115.4	150.1	176.7	61.8	4.2	0	0	0	112	R75	N73-R75 PolarHBondContact O-N 3.48Å
74	I	22.6	Very low	23	Very low	157 Å²	157	130.7 Å²	130.7	81%	0.805	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-64.3	-1	-153.1	-88.2	168.3	0	0	0	117.6	Q76	I74-Q76 PolarHBondContact O-N 2.77Å
75	R	23.4	Very low	22.9	Very low	199 Å²	199	130.9 Å²	130.9	75%	0.751	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-85.8	-0.4	-167.2	-72.5	-168.6	174	-163.6	-2.6	117.4	N73 S77	N73-R75 PolarHBondContact O-N 3.48Å; R75-S77 PolarHBondContact O-N 3.36Å
76	Q	23.1	Very low	23	Very low	172 Å²	172	132.3 Å²	132.3	80%	0.804	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-85.2	2.7	-175.9	-81.2	-170.6	-48.9	0	0	116.5	I74	I74-Q76 PolarHBondContact O-N 2.77Å
77	S	21.6	Very low	22.8	Very low	89 Å²	89	128.1 Å²	128.1	62%	0.622	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-93.5	3.4	-178.6	39.1	0	0	0	0	116	R75 S79	R75-S77 PolarHBondContact O-N 3.36Å; S77-S79 PolarHBondContact O-N 3.19Å
78	Y	20.5	Very low	22.5	Very low	196 Å²	196	125.5 Å²	125.5	77%	0.769	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	39.8	-168.3	-86.5	-80.7	0	0	0	116.4
79	S	20.8	Very low	22.5	Very low	103 Å²	103	131.1 Å²	131.1	72%	0.72	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.9	21.8	-179.7	62.2	0	0	0	0	117.4	S77	S77-S79 PolarHBondContact O-N 3.19Å
80	T	20.4	Very low	22.4	Very low	128 Å²	128	127.9 Å²	127.9	79%	0.785	65%	0.646	S	S	*	*			trans	-129.5	98.8	179.7	11.9	0	0	0	0	111.8
81	L	22.4	Very low	22.5	Very low	136 Å²	136	129.1 Å²	129.1	71%	0.712	65%	0.651	S	S	*	*			trans	-100.1	145.5	175.9	-73.9	170.2	0	0	0	111.6	F174	L81-F174 HydrophobicContact CB-CE1 4.41Å
82	S	21.4	Very low	22.6	Very low	42 Å²	42	128.2 Å²	128.2	29%	0.294	66%	0.66	S	S	.	*			trans	-142.9	127.8	-178.6	-74	0	0	0	0	111.2	H703	S82-H703 PolarHBondContact O-CE1 3.37Å; S82-H703 PolarHBondContact O-ND1 3.07Å
83	F	21	Very low	22.7	Very low	110 Å²	110	121.9 Å²	121.9	48%	0.482	64%	0.642	S	S	.	*			trans	-77.4	174.2	175.1	-63.2	-89	0	0	0	112	L175 I178 R706	F83-L175 HydrophobicContact CE1-CD2 4.03Å; F83-L175 HydrophobicContact CZ-CD2 3.59Å; F83-I178 HydrophobicContact CE2-CD1 3.81Å; F83-R706 VanDerWaalsContact C-NH1 3.25Å; F83-R706 WeakPolarHBondContact O-CD 3.19Å; F83-R706 PolarHBondContact O-NE 3.38Å; F83-R706 PolarHBondContact O-NH1 3.31Å
84	L	22.2	Very low	22.6	Very low	44 Å²	44	123.7 Å²	123.7	23%	0.23	64%	0.638	C	S	.	*			trans	-151.4	165.7	162.3	-116.4	116.8	0	0	0	116.6	F86 S702 R706	L84-F86 HydrophobicContact CD2-CD1 3.91Å; L84-F86 HydrophobicContact CD2-CE1 3.33Å; L84-F86 HydrophobicContact CD2-CE2 4.28Å; L84-F86 HydrophobicContact CD2-CZ 3.56Å; L84-S702 VanDerWaalsContact CB-CB 3.48Å; L84-S702 WeakPolarHBondContact CB-OG 3.43Å; L84-S702 WeakPolarHBondContact CD1-O 3.43Å; L84-S702 WeakPolarHBondContact CD2-O 3.15Å; L84-R706 HydrophobicContact CD1-CB 3.69Å; L84-R706 HydrophobicContact CD1-CG 3.47Å; L84-R706 VanDerWaalsContact CD1-CG 3.47Å; L84-R706 HydrophobicContact CG-CG 4.04Å
85	R	20.7	Very low	22.5	Very low	136 Å²	136	123.4 Å²	123.4	51%	0.513	63%	0.634	S	S	.	*			trans	-151.2	137	-168.2	-164.3	-177.3	-172.5	-165.5	-2.7	109	I98	R85-I98 HydrophobicContact CG-CB 4.33Å; R85-I98 HydrophobicContact CG-CD1 3.94Å; R85-I98 HydrophobicContact CG-CG1 3.6Å; R85-I98 HydrophobicContact CG-CG2 3.96Å
86	F	25.7	Very low	22.5	Very low	109 Å²	109	120.5 Å²	120.5	48%	0.478	62%	0.623	S	S	.	*			trans	-147.2	171.1	-170.6	-82.3	-26.5	0	0	0	116.8	L84	L84-F86 HydrophobicContact CD2-CD1 3.91Å; L84-F86 HydrophobicContact CD2-CE1 3.33Å; L84-F86 HydrophobicContact CD2-CE2 4.28Å; L84-F86 HydrophobicContact CD2-CZ 3.56Å
87	Y	22.9	Very low	22.4	Very low	97 Å²	97	118.9 Å²	118.9	38%	0.38	62%	0.619	S	S	.	*			trans	-102	153.3	-176.1	-167.4	-168.9	0	0	0	112.3	K89 W96	Y87-K89 HydrophobicContact CD1-CB 4.41Å; Y87-K89 HydrophobicContact CE1-CB 3.98Å; Y87-K89 HydrophobicContact CE1-CD 3.88Å; Y87-K89 HydrophobicContact CE1-CG 4.08Å; Y87-K89 HydrophobicContact CE2-CB 4.31Å; Y87-W96 VanDerWaalsContact CB-CH2 3.49Å; Y87-W96 AromaticContact CD1-CH2 3.56Å; Y87-W96 HydrophobicContact CD1-CH2 3.56Å; Y87-W96 AromaticContact CD1-CZ2 3.64Å; Y87-W96 HydrophobicContact CD1-CZ2 3.64Å; Y87-W96 HydrophobicContact CD1-CZ3 4.25Å; Y87-W96 AromaticContact CD2-CD2 3.37Å; Y87-W96 HydrophobicContact CD2-CD2 3.37Å; Y87-W96 AromaticContact CD2-CE2 3.16Å; Y87-W96 AromaticContact CD2-CE3 3.67Å; Y87-W96 HydrophobicContact CD2-CE3 3.67Å; Y87-W96 HydrophobicContact CD2-CG 4.08Å; Y87-W96 AromaticContact CD2-CH2 3.61Å; Y87-W96 HydrophobicContact CD2-CH2 3.61Å; Y87-W96 AromaticContact CD2-CZ2 3.29Å; Y87-W96 HydrophobicContact CD2-CZ2 3.29Å; Y87-W96 AromaticContact CD2-CZ3 3.8Å; Y87-W96 HydrophobicContact CD2-CZ3 3.8Å; Y87-W96 AromaticContact CD2-NE1 3.69Å; Y87-W96 HydrophobicContact CE1-CH2 4.11Å; Y87-W96 AromaticContact CE1-CZ2 3.72Å; Y87-W96 HydrophobicContact CE1-CZ2 3.72Å; Y87-W96 AromaticContact CE2-CD2 3.89Å; Y87-W96 HydrophobicContact CE2-CD2 3.89Å; Y87-W96 AromaticContact CE2-CE2 3.24Å; Y87-W96 HydrophobicContact CE2-CG 4.36Å; Y87-W96 HydrophobicContact CE2-CH2 4.19Å; Y87-W96 AromaticContact CE2-CZ2 3.43Å; Y87-W96 HydrophobicContact CE2-CZ2 3.43Å; Y87-W96 VanDerWaalsContact CE2-CZ2 3.43Å; Y87-W96 AromaticContact CE2-NE1 3.34Å; Y87-W96 VanDerWaalsContact CE2-NE1 3.34Å; Y87-W96 HydrophobicContact CG-CD2 4.04Å; Y87-W96 AromaticContact CG-CE2 3.8Å; Y87-W96 AromaticContact CG-CE3 3.88Å; Y87-W96 HydrophobicContact CG-CE3 3.88Å; Y87-W96 AromaticContact CG-CH2 3.28Å; Y87-W96 HydrophobicContact CG-CH2 3.28Å; Y87-W96 AromaticContact CG-CZ2 3.43Å; Y87-W96 HydrophobicContact CG-CZ2 3.43Å; Y87-W96 VanDerWaalsContact CG-CZ2 3.43Å; Y87-W96 AromaticContact CG-CZ3 3.53Å; Y87-W96 HydrophobicContact CG-CZ3 3.53Å; Y87-W96 AromaticContact CZ-CE2 3.9Å; Y87-W96 AromaticContact CZ-CZ2 3.63Å
88	C	21.2	Very low	22.5	Very low	114 Å²	114	117.7 Å²	117.7	77%	0.77	61%	0.605	S	S	*	*			trans	-123.3	134.2	155	-80.3	0	0	0	0	109.4
89	K	24.5	Very low	22.5	Very low	160 Å²	160	117 Å²	117	70%	0.696	60%	0.602	S	S	*	*			trans	-125.9	128.5	-178.2	-162.5	178.3	-168.3	-176.2	0	108.5	Y87	Y87-K89 HydrophobicContact CD1-CB 4.41Å; Y87-K89 HydrophobicContact CE1-CB 3.98Å; Y87-K89 HydrophobicContact CE1-CD 3.88Å; Y87-K89 HydrophobicContact CE1-CG 4.08Å; Y87-K89 HydrophobicContact CE2-CB 4.31Å
90	G	24.8	Very low	22.6	Very low	75 Å²	75	118 Å²	118	77%	0.773	60%	0.604	S	S	*	*			trans	127.8	-2	176	0	0	0	0	0	117.5
91	A	23.3	Very low	22.7	Very low	87 Å²	87	116.9 Å²	116.9	72%	0.719	60%	0.597	S	S	*	*	S	Bend	trans	-82	148.2	141.4	0	0	0	0	0	106.6	D93	A91-D93 PolarHBondContact O-N 3.3Å
92	D	26.4	Very low	22.7	Very low	171 Å²	171	121.3 Å²	121.3	91%	0.914	60%	0.604	S	S	*	*	S	Bend	trans	-43.8	129.7	178.8	-63.6	-54.1	0	0	0	109.7
93	D	22.9	Very low	22.7	Very low	97 Å²	97	126.1 Å²	126.1	52%	0.519	63%	0.626	S	S	.	*	S	Bend	trans	-52.1	164.9	-152.7	-67.9	-66.5	0	0	0	115.1	A91	A91-D93 PolarHBondContact O-N 3.3Å
94	W	22.9	Very low	22.7	Very low	176 Å²	176	129.8 Å²	129.8	67%	0.667	65%	0.65	S	S	*	*			trans	106.4	7	160.1	-50.2	100	0	0	0	121.5	W606	W94-W606 HydrophobicContact CE3-CE3 4.13Å; W94-W606 HydrophobicContact CE3-CZ3 4Å; W94-W606 WeakPolarHBondContact O-CH2 3.37Å
95	E	21.4	Very low	22.7	Very low	151 Å²	151	131.2 Å²	131.2	71%	0.706	68%	0.675	S	S	*	*			trans	-127.6	130.8	167.5	-73.3	-154.5	147.9	0	0	116.5
96	W	23.1	Very low	22.7	Very low	137 Å²	137	130.4 Å²	130.4	52%	0.519	69%	0.685	S	S	.	*			trans	-118.6	120.3	-177.9	-67.7	63.7	0	0	0	110.3	Y87	Y87-W96 VanDerWaalsContact CB-CH2 3.49Å; Y87-W96 AromaticContact CD1-CH2 3.56Å; Y87-W96 HydrophobicContact CD1-CH2 3.56Å; Y87-W96 AromaticContact CD1-CZ2 3.64Å; Y87-W96 HydrophobicContact CD1-CZ2 3.64Å; Y87-W96 HydrophobicContact CD1-CZ3 4.25Å; Y87-W96 AromaticContact CD2-CD2 3.37Å; Y87-W96 HydrophobicContact CD2-CD2 3.37Å; Y87-W96 AromaticContact CD2-CE2 3.16Å; Y87-W96 AromaticContact CD2-CE3 3.67Å; Y87-W96 HydrophobicContact CD2-CE3 3.67Å; Y87-W96 HydrophobicContact CD2-CG 4.08Å; Y87-W96 AromaticContact CD2-CH2 3.61Å; Y87-W96 HydrophobicContact CD2-CH2 3.61Å; Y87-W96 AromaticContact CD2-CZ2 3.29Å; Y87-W96 HydrophobicContact CD2-CZ2 3.29Å; Y87-W96 AromaticContact CD2-CZ3 3.8Å; Y87-W96 HydrophobicContact CD2-CZ3 3.8Å; Y87-W96 AromaticContact CD2-NE1 3.69Å; Y87-W96 HydrophobicContact CE1-CH2 4.11Å; Y87-W96 AromaticContact CE1-CZ2 3.72Å; Y87-W96 HydrophobicContact CE1-CZ2 3.72Å; Y87-W96 AromaticContact CE2-CD2 3.89Å; Y87-W96 HydrophobicContact CE2-CD2 3.89Å; Y87-W96 AromaticContact CE2-CE2 3.24Å; Y87-W96 HydrophobicContact CE2-CG 4.36Å; Y87-W96 HydrophobicContact CE2-CH2 4.19Å; Y87-W96 AromaticContact CE2-CZ2 3.43Å; Y87-W96 HydrophobicContact CE2-CZ2 3.43Å; Y87-W96 VanDerWaalsContact CE2-CZ2 3.43Å; Y87-W96 AromaticContact CE2-NE1 3.34Å; Y87-W96 VanDerWaalsContact CE2-NE1 3.34Å; Y87-W96 HydrophobicContact CG-CD2 4.04Å; Y87-W96 AromaticContact CG-CE2 3.8Å; Y87-W96 AromaticContact CG-CE3 3.88Å; Y87-W96 HydrophobicContact CG-CE3 3.88Å; Y87-W96 AromaticContact CG-CH2 3.28Å; Y87-W96 HydrophobicContact CG-CH2 3.28Å; Y87-W96 AromaticContact CG-CZ2 3.43Å; Y87-W96 HydrophobicContact CG-CZ2 3.43Å; Y87-W96 VanDerWaalsContact CG-CZ2 3.43Å; Y87-W96 AromaticContact CG-CZ3 3.53Å; Y87-W96 HydrophobicContact CG-CZ3 3.53Å; Y87-W96 AromaticContact CZ-CE2 3.9Å; Y87-W96 AromaticContact CZ-CZ2 3.63Å
97	L	20.4	Very low	22.6	Very low	138 Å²	138	130.9 Å²	130.9	72%	0.723	70%	0.701	S	S	*	*			trans	-115.4	130.3	179.3	-77.3	167.5	0	0	0	112.4
98	I	23.3	Very low	22.5	Very low	65 Å²	65	131 Å²	131	33%	0.333	72%	0.722	S	S	.	*			trans	-130.8	123.7	175	-69.6	103.3	0	0	0	108.8	R85	R85-I98 HydrophobicContact CG-CB 4.33Å; R85-I98 HydrophobicContact CG-CD1 3.94Å; R85-I98 HydrophobicContact CG-CG1 3.6Å; R85-I98 HydrophobicContact CG-CG2 3.96Å
99	Y	21.5	Very low	22.5	Very low	182 Å²	182	128.9 Å²	128.9	71%	0.714	71%	0.712	S	S	*	*			trans	-104.3	141.7	-177.9	-99.5	-104.2	0	0	0	112
100	T	23.4	Very low	22.5	Very low	124 Å²	124	127.3 Å²	127.3	76%	0.761	72%	0.719	S	S	*	*			trans	-135.1	102.5	170.7	57.1	0	0	0	0	109.3	R102	T100-R102 PolarHBondContact O-N 3.06Å
101	T	21.8	Very low	22.4	Very low	104 Å²	104	133.2 Å²	133.2	64%	0.638	72%	0.718	S	S	*	*			trans	-92.5	94.8	-179.1	38	0	0	0	0	111.3	L103	T101-L103 PolarHBondContact O-N 2.86Å
102	R	23	Very low	22.5	Very low	229 Å²	229	136.9 Å²	136.9	86%	0.864	72%	0.72	S	S	*	*			trans	-70.3	87.3	164.4	-82.1	-178.2	163.7	-178.8	-5.4	109.8	T100	T100-R102 PolarHBondContact O-N 3.06Å
103	L	19.9	Very low	22.4	Very low	142 Å²	142	139 Å²	139	74%	0.743	72%	0.721	S	S	*	*			trans	-160	48	170.9	-111.2	161	0	0	0	113.4	T101	T101-L103 PolarHBondContact O-N 2.86Å
104	L	22.2	Very low	22.5	Very low	188 Å²	188	141.7 Å²	141.7	98%	0.984	73%	0.734	S	S	*	*			trans	-107.8	86.4	166.7	-80.8	166.8	0	0	0	109.3
105	G	22.3	Very low	22.6	Very low	73 Å²	73	138 Å²	138	75%	0.753	73%	0.728	S	S	*	*			trans	-162.5	4.6	-176.4	0	0	0	0	0	116.4
106	T	20.7	Very low	22.9	Very low	120 Å²	120	137.5 Å²	137.5	74%	0.736	73%	0.734	S	S	*	*			trans	-122.2	94	-177.6	48.3	0	0	0	0	111	A108	T106-A108 PolarHBondContact O-N 2.9Å
107	C	22.2	Very low	23.1	Very low	119 Å²	119	141 Å²	141	80%	0.804	75%	0.747	S	S	*	*			trans	-65.9	110.8	165.6	-71.3	0	0	0	0	109.6	A109	C107-A109 PolarHBondContact O-N 2.87Å; C107-A109 VanDerWaalsContact O-N 3.1Å
108	A	21.2	Very low	23.3	Very low	99 Å²	99	138.3 Å²	138.3	82%	0.818	75%	0.745	S	S	*	*			trans	-66.3	107.3	168	0	0	0	0	0	108.9	T106 P110	T106-A108 PolarHBondContact O-N 2.9Å; A108-P110 WeakPolarHBondContact O-CD 3.4Å
109	A	21.5	Very low	23.5	Very low	70 Å²	70	146.2 Å²	146.2	58%	0.579	77%	0.771	S	S	*	*			trans	-68.2	120.9	176.9	0	0	0	0	0	109.5	C107 R111	C107-A109 PolarHBondContact O-N 2.87Å; C107-A109 VanDerWaalsContact O-N 3.1Å; A109-R111 PolarHBondContact O-N 2.88Å; A109-R111 VanDerWaalsContact O-N 3.1Å
110	P	24.3	Very low	23.9	Very low	127 Å²	127	144.5 Å²	144.5	83%	0.825	78%	0.779	S	S	*	*			trans	-76.2	103.8	-179.7	30.2	-32.7	0	0	0	109.4	A108	A108-P110 WeakPolarHBondContact O-CD 3.4Å
111	R	23.5	Very low	24.3	Very low	199 Å²	199	143 Å²	143	75%	0.751	77%	0.774	S	S	*	*			trans	-133.5	113.6	165.9	-83	-164.5	169.5	169.9	-0.3	112.4	A109	A109-R111 PolarHBondContact O-N 2.88Å; A109-R111 VanDerWaalsContact O-N 3.1Å
112	E	25	Very low	24.5	Very low	164 Å²	164	144.6 Å²	144.6	77%	0.766	78%	0.778	S	S	*	*			trans	49.5	93.5	136.9	-67.2	167.6	-166	0	0	116.4	I114	E112-I114 PolarHBondContact O-N 2.84Å; E112-I114 VanDerWaalsContact O-N 3.17Å
113	F	24.8	Very low	24.6	Very low	215 Å²	215	139.7 Å²	139.7	94%	0.943	77%	0.774	S	S	*	*			trans	7	92.7	152.8	-64.8	-84.4	0	0	0	115.9	D115	F113-D115 PolarHBondContact O-N 3.24Å
114	I	23.6	Very low	24.8	Very low	153 Å²	153	138.9 Å²	138.9	79%	0.785	78%	0.777	S	S	*	*			trans	-62.7	108	164.2	-60.8	172.9	0	0	0	107.3	E112 V116	E112-I114 PolarHBondContact O-N 2.84Å; E112-I114 VanDerWaalsContact O-N 3.17Å; I114-V116 PolarHBondContact O-N 3.48Å
115	D	25.8	Very low	24.9	Very low	100 Å²	100	139 Å²	139	54%	0.535	77%	0.77	S	S	.	*			trans	-66.1	107.1	172.1	-174.3	-10.6	0	0	0	108.6	F113 R117 A118	F113-D115 PolarHBondContact O-N 3.24Å; D115-R117 PolarHBondContact O-N 3.46Å; D115-R117 PolarHBondContact OD1-N 2.87Å; D115-R117 VanDerWaalsContact OD1-N 3.16Å; D115-R117 IonicContact OD1-NE 3.96Å; D115-A118 PolarHBondContact O-N 3.1Å; D115-A118 VanDerWaalsContact O-N 3.08Å
116	V	27	Very low	24.9	Very low	140 Å²	140	144.3 Å²	144.3	85%	0.848	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	1.1	-173.9	-153	0	0	0	0	112.8	I114	I114-V116 PolarHBondContact O-N 3.48Å
117	R	28.7	Very low	25.1	Very low	209 Å²	209	146.1 Å²	146.1	79%	0.789	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-3.8	172	-70.5	-176.5	-79.2	-161.1	-6.4	114.8	D115 R119	D115-R117 PolarHBondContact O-N 3.46Å; D115-R117 PolarHBondContact OD1-N 2.87Å; D115-R117 VanDerWaalsContact OD1-N 3.16Å; D115-R117 IonicContact OD1-NE 3.96Å; R117-R119 PolarHBondContact O-N 2.72Å
118	A	24.5	Very low	25.2	Very low	83 Å²	83	146 Å²	146	69%	0.686	78%	0.775	S	S	*	*	S	Bend	trans	-66.1	117.1	172.1	0	0	0	0	0	111.4	D115 V120	D115-A118 PolarHBondContact O-N 3.1Å; D115-A118 VanDerWaalsContact O-N 3.08Å; A118-V120 PolarHBondContact O-N 3.33Å
119	R	26	Very low	25.4	Very low	231 Å²	231	148.6 Å²	148.6	87%	0.872	77%	0.77	S	S	*	*			trans	-72.6	93.2	-172.2	-70.7	179.7	174.7	175.9	-2	113.2	R117 S121	R117-R119 PolarHBondContact O-N 2.72Å; R119-S121 VanDerWaalsContact C-N 3.27Å; R119-S121 PolarHBondContact O-N 2.96Å
120	V	31.5	Very low	25.5	Very low	146 Å²	146	152.1 Å²	152.1	89%	0.885	78%	0.779	S	S	*	*	S	Bend	trans	50.9	-30.1	145.7	-174.9	0	0	0	0	121	A118	A118-V120 PolarHBondContact O-N 3.33Å
121	S	31.7	Very low	25.4	Very low	93 Å²	93	151.4 Å²	151.4	65%	0.65	77%	0.773	S	S	*	*	S	Bend	trans	-84.3	-21.9	-174.8	60.5	0	0	0	0	115.2	R119	R119-S121 VanDerWaalsContact C-N 3.27Å; R119-S121 PolarHBondContact O-N 2.96Å
122	D	24.6	Very low	25.5	Very low	136 Å²	136	148.8 Å²	148.8	73%	0.727	78%	0.779	S	S	*	*			trans	-110.4	57.9	-164.2	-63.6	3	0	0	0	112	P124	D122-P124 WeakPolarHBondContact O-CD 3.14Å
123	T	25	Very low	25.4	Very low	126 Å²	126	149.7 Å²	149.7	77%	0.773	78%	0.78	S	S	*	*			trans	-72.2	109.9	170.3	27.3	0	0	0	0	110.1	K125	T123-K125 PolarHBondContact O-N 2.94Å
124	P	24	Very low	25.4	Very low	126 Å²	126	142.5 Å²	142.5	82%	0.818	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-77.3	127.2	-173.3	-12.2	30.1	0	0	0	110.5	D122	D122-P124 WeakPolarHBondContact O-CD 3.14Å
125	K	24.5	Very low	25.5	Very low	189 Å²	189	147.3 Å²	147.3	82%	0.822	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-64	142.2	176	-68.7	177.1	178.1	176.2	0	110.7	T123 I127	T123-K125 PolarHBondContact O-N 2.94Å; K125-I127 PolarHBondContact O-N 3.28Å
126	L	22.8	Very low	25.3	Very low	185 Å²	185	152.1 Å²	152.1	97%	0.969	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-48.3	122.2	174.7	-73.6	145.3	0	0	0	111.4
127	I	24.5	Very low	25.3	Very low	159 Å²	159	148.5 Å²	148.5	82%	0.815	79%	0.785	S	S	*	*			trans	-108.2	136.5	172.8	-66	176.9	0	0	0	109.3	K125	K125-I127 PolarHBondContact O-N 3.28Å
128	D	24.4	Very low	25.2	Very low	117 Å²	117	145 Å²	145	63%	0.626	79%	0.786	S	S	*	*			trans	-58.5	136.7	-173.7	-170	-20.6	0	0	0	113.6	N130	D128-N130 VanDerWaalsContact C-N 3.33Å; D128-N130 PolarHBondContact O-N 3.08Å; D128-N130 PolarHBondContact OD1-N 3.08Å; D128-N130 PolarHBondContact OD1-ND2 3.43Å
129	Q	24.9	Very low	25.4	Very low	153 Å²	153	150.9 Å²	150.9	72%	0.715	79%	0.792	S	S	*	*	S	Bend	trans	-81	-0.9	-170.2	-71.7	-172.4	-11.4	0	0	115	T131	Q129-T131 PolarHBondContact O-N 2.73Å
130	N	23.8	Very low	25.5	Very low	143 Å²	143	147.2 Å²	147.2	77%	0.765	79%	0.79	S	S	*	*			trans	-70.3	16.9	-174.9	-76.7	-59.6	0	0	0	116.4	D128	D128-N130 VanDerWaalsContact C-N 3.33Å; D128-N130 PolarHBondContact O-N 3.08Å; D128-N130 PolarHBondContact OD1-N 3.08Å; D128-N130 PolarHBondContact OD1-ND2 3.43Å
131	T	23.1	Very low	25.5	Very low	113 Å²	113	147.5 Å²	147.5	69%	0.693	79%	0.787	S	S	*	*			trans	-117.6	87	177.6	-20.2	0	0	0	0	112.5	Q129 K133	Q129-T131 PolarHBondContact O-N 2.73Å; T131-K133 PolarHBondContact O-N 2.83Å
132	V	25	Very low	25.3	Very low	144 Å²	144	146.3 Å²	146.3	87%	0.873	79%	0.789	S	S	*	*			trans	-65.5	104.1	175.5	-179.7	0	0	0	0	110.9
133	K	22.9	Very low	25.4	Very low	182 Å²	182	146.7 Å²	146.7	79%	0.791	79%	0.791	S	S	*	*			trans	-118.5	122.6	158.2	-67	-178	179.3	179.7	0	107.2	T131	T131-K133 PolarHBondContact O-N 2.83Å
134	G	24.3	Very low	25.8	Very low	65 Å²	65	149 Å²	149	67%	0.67	80%	0.799	S	S	*	*			cis	122.8	89.7	10.7	0	0	0	0	0	110.4
135	R	25.5	Very low	25.9	Very low	253 Å²	253	152.3 Å²	152.3	96%	0.955	80%	0.795	S	S	*	*			trans	54.1	104.6	167.6	-62	-176.4	-179.7	-171.3	0.6	118.4
136	Q	23.7	Very low	26.4	Very low	202 Å²	202	149.2 Å²	149.2	94%	0.944	79%	0.794	S	S	*	*			trans	-136.9	128.6	140.5	-105.4	163.1	-39.8	0	0	105.6
137	G	26.2	Very low	26.9	Very low	63 Å²	63	146.2 Å²	146.2	65%	0.649	77%	0.774	S	S	*	*			cis	140.5	25.1	9.4	0	0	0	0	0	112.6	Y139	G137-Y139 VanDerWaalsContact C-N 3.29Å; G137-Y139 PolarHBondContact O-N 2.88Å
138	V	26.9	Very low	27.3	Very low	135 Å²	135	143.5 Å²	143.5	82%	0.818	76%	0.761	S	S	*	*			trans	-83.9	76.2	-177.7	-170.8	0	0	0	0	109.6
139	Y	28.2	Very low	27.7	Very low	207 Å²	207	142 Å²	142	81%	0.812	76%	0.757	S	S	*	*			trans	-96.8	92.1	154.1	-85.7	-88.4	0	0	0	107.1	G137	G137-Y139 VanDerWaalsContact C-N 3.29Å; G137-Y139 PolarHBondContact O-N 2.88Å
140	D	28.9	Very low	28	Very low	154 Å²	154	137.9 Å²	137.9	82%	0.824	74%	0.74	S	S	*	*			trans	-96.4	113.9	160.6	-89.8	-43.2	0	0	0	108.7
141	N	30.5	Very low	28.5	Very low	153 Å²	153	133 Å²	133	82%	0.818	71%	0.713	S	S	*	*			trans	-87.8	118	170.1	-61.1	-59.3	0	0	0	107.4
142	G	27.3	Very low	29	Very low	67 Å²	67	137.4 Å²	137.4	69%	0.691	72%	0.717	S	S	*	*			trans	176.8	105.4	177.5	0	0	0	0	0	112.8
143	D	27.2	Very low	29.3	Very low	144 Å²	144	130.8 Å²	130.8	77%	0.77	68%	0.676	S	S	*	*			trans	58.8	117.4	161.3	-54.9	-23.2	0	0	0	119.7	W145	D143-W145 PolarHBondContact O-N 2.85Å
144	D	33	Very low	29.9	Very low	176 Å²	176	126.1 Å²	126.1	94%	0.941	66%	0.658	S	S	*	*			trans	-65.2	83	177.2	-72.9	-53	0	0	0	113
145	W	26.9	Very low	30.3	Very low	194 Å²	194	125.5 Å²	125.5	74%	0.735	64%	0.636	S	S	*	*			trans	-82.2	134.4	163.3	-76.6	82.5	0	0	0	110.8	D143 F147	D143-W145 PolarHBondContact O-N 2.85Å; W145-F147 VanDerWaalsContact C-N 3.33Å; W145-F147 HydrophobicContact CB-CD2 4.14Å; W145-F147 HydrophobicContact CB-CE2 3.56Å; W145-F147 HydrophobicContact CB-CZ 4.07Å; W145-F147 VanDerWaalsContact O-CD2 3.31Å; W145-F147 WeakPolarHBondContact O-CD2 3.32Å; W145-F147 PolarHBondContact O-N 3.08Å
146	P	33.5	Very low	30.9	Very low	124 Å²	124	117.9 Å²	117.9	81%	0.805	61%	0.608	S	S	*	*			trans	-82.8	70.8	-163.8	34.4	-37.9	0	0	0	112.6
147	F	33.9	Very low	31.3	Very low	123 Å²	123	110.8 Å²	110.8	54%	0.539	58%	0.576	S	S	.	*			trans	-78.5	140.4	175.6	-62.7	-69.6	0	0	0	112.3	L50 W145	L50-F147 HydrophobicContact CD1-CE1 3.74Å; L50-F147 HydrophobicContact CD1-CZ 3.9Å; L50-F147 HydrophobicContact CD2-CD1 3.54Å; L50-F147 HydrophobicContact CD2-CE1 3.42Å; L50-F147 VanDerWaalsContact CD2-CE1 3.42Å; L50-F147 HydrophobicContact CD2-CG 4.5Å; L50-F147 HydrophobicContact CD2-CZ 4.27Å; L50-F147 HydrophobicContact CG-CE1 4.24Å; W145-F147 VanDerWaalsContact C-N 3.33Å; W145-F147 HydrophobicContact CB-CD2 4.14Å; W145-F147 HydrophobicContact CB-CE2 3.56Å; W145-F147 HydrophobicContact CB-CZ 4.07Å; W145-F147 VanDerWaalsContact O-CD2 3.31Å; W145-F147 WeakPolarHBondContact O-CD2 3.32Å; W145-F147 PolarHBondContact O-N 3.08Å
148	D	34.3	Very low	31.8	Very low	102 Å²	102	110.6 Å²	110.6	55%	0.545	57%	0.568	S	S	.	*			trans	-65.1	127.4	178.8	-169.2	-47.3	0	0	0	110.5	L150 E151	D148-L150 PolarHBondContact O-N 3.35Å; D148-L150 VanDerWaalsContact OD1-CB 3.32Å; D148-L150 WeakPolarHBondContact OD1-CB 3.3Å; D148-L150 PolarHBondContact OD1-N 2.88Å; D148-E151 PolarHBondContact O-N 2.77Å
149	P	31.2	Very low	32.2	Very low	84 Å²	84	108.6 Å²	108.6	55%	0.545	55%	0.55	S	S	.	.	H	α-helix	trans	-51.8	-28.5	177.9	-28.8	35.4	0	0	0	115	S153 R236	P149-S153 PolarHBondContact O-OG 3.36Å; P149-R236 VanDerWaalsContact C-NH2 3.28Å; P149-R236 PolarHBondContact O-NE 3.11Å; P149-R236 PolarHBondContact O-NH2 2.98Å
150	L	32.5	Very low	32.3	Very low	68 Å²	68	103 Å²	103	36%	0.356	53%	0.527	S	S	.	.	H	α-helix	trans	-63.9	-44.5	-179.2	-173.5	64.5	0	0	0	112.1	L56 D148 S153 M154	L56-L150 HydrophobicContact CD1-CD1 4.29Å; L56-L150 HydrophobicContact CD1-CD2 4.4Å; D148-L150 PolarHBondContact O-N 3.35Å; D148-L150 VanDerWaalsContact OD1-CB 3.32Å; D148-L150 WeakPolarHBondContact OD1-CB 3.3Å; D148-L150 PolarHBondContact OD1-N 2.88Å; L150-S153 WeakPolarHBondContact O-CB 3.4Å; L150-S153 PolarHBondContact O-N 3.42Å; L150-S153 PolarHBondContact O-OG 3.14Å; L150-M154 PolarHBondContact O-N 2.82Å
151	E	33	Very low	32.5	Very low	41 Å²	41	101.7 Å²	101.7	19%	0.192	52%	0.519	C	S	.	.	H	α-helix	trans	-65.8	-43.2	-173.5	-161.1	-170.3	161.4	0	0	111.8	L50 M53 D148 S153 M154 R155	L50-E151 WeakPolarHBondContact CD2-OE1 3.08Å; M53-E151 HydrophobicContact CB-CG 3.97Å; M53-E151 HydrophobicContact CG-CG 4.21Å; M53-E151 HydrophobicContact SD-CG 3.67Å; D148-E151 PolarHBondContact O-N 2.77Å; E151-S153 PolarHBondContact O-N 2.86Å; E151-M154 PolarHBondContact O-N 3.41Å; E151-R155 PolarHBondContact O-N 2.85Å
152	R	34	Very low	32.5	Very low	205 Å²	205	98.7 Å²	98.7	77%	0.774	52%	0.516	S	S	*	.	H	α-helix	trans	-59	-32.3	176.7	-160.4	175.4	-169.2	166.6	5.5	112.5	Y156	R152-Y156 PolarHBondContact O-N 2.62Å
153	S	32.1	Very low	32.6	Very low	4 Å²	4	99.2 Å²	99.2	3%	0.028	51%	0.514	C	S	.	.	H	α-helix	trans	-69.1	-45	177.5	-2	0	0	0	0	113.1	P149 L150 E151 R155 Y156 I157 R236	P149-S153 PolarHBondContact O-OG 3.36Å; L150-S153 WeakPolarHBondContact O-CB 3.4Å; L150-S153 PolarHBondContact O-N 3.42Å; L150-S153 PolarHBondContact O-OG 3.14Å; E151-S153 PolarHBondContact O-N 2.86Å; S153-R155 PolarHBondContact O-N 2.87Å; S153-Y156 PolarHBondContact O-N 3.03Å; S153-I157 WeakPolarHBondContact O-CG1 3.21Å; S153-I157 PolarHBondContact O-N 3.38Å; S153-R236 PolarHBondContact OG-NE 3.48Å; S153-R236 PolarHBondContact OG-NH2 3.32Å
154	M	34.1	Very low	32.5	Very low	84 Å²	84	95.7 Å²	95.7	41%	0.414	50%	0.5	S	S	.	.	H	α-helix	trans	-64.1	-43.3	-176.7	-67.8	-69.2	-88.6	0	0	110.7	M53 L150 E151 Y156 I157 A158	M53-M154 HydrophobicContact CE-CB 4.36Å; M53-M154 HydrophobicContact SD-CB 3.94Å; L150-M154 PolarHBondContact O-N 2.82Å; E151-M154 PolarHBondContact O-N 3.41Å; M154-Y156 VanDerWaalsContact C-N 3.34Å; M154-Y156 PolarHBondContact O-N 2.86Å; M154-I157 PolarHBondContact O-N 3.22Å; M154-A158 PolarHBondContact O-N 3.2Å; M154-A158 VanDerWaalsContact O-N 3.07Å
155	R	34.6	Very low	32.2	Very low	52 Å²	52	91.5 Å²	91.5	20%	0.196	48%	0.483	C	S	.	.	H	α-helix	trans	-58.8	-42.7	176	-164.6	178.6	-84.6	128.5	4.4	111.9	P48 D49 M53 E151 S153 Q159	P48-R155 HydrophobicContact CG-CG 4.23Å; P48-R155 VanDerWaalsContact O-CZ 3.24Å; P48-R155 PolarHBondContact O-NE 2.76Å; P48-R155 PolarHBondContact O-NH2 3.14Å; P48-R155 VanDerWaalsContact O-NH2 3.08Å; D49-R155 PolarHBondContact O-NH2 3.14Å; M53-R155 HydrophobicContact CE-CB 3.86Å; M53-R155 HydrophobicContact CE-CG 4.38Å; E151-R155 PolarHBondContact O-N 2.85Å; S153-R155 PolarHBondContact O-N 2.87Å; R155-Q159 WeakPolarHBondContact O-CB 3.44Å; R155-Q159 VanDerWaalsContact O-CG 3.29Å; R155-Q159 WeakPolarHBondContact O-CG 3.13Å; R155-Q159 PolarHBondContact O-N 2.98Å; R155-Q159 VanDerWaalsContact O-N 3.14Å
156	Y	36.1	Very low	32.4	Very low	94 Å²	94	88 Å²	88	37%	0.369	49%	0.485	S	S	.	.	H	α-helix	trans	-67.8	-42.9	178.9	-170.6	-87.7	0	0	0	113.1	R152 S153 M154 Q159 R160 C235	R152-Y156 PolarHBondContact O-N 2.62Å; S153-Y156 PolarHBondContact O-N 3.03Å; M154-Y156 VanDerWaalsContact C-N 3.34Å; M154-Y156 PolarHBondContact O-N 2.86Å; Y156-Q159 PolarHBondContact O-N 3.15Å; Y156-R160 WeakPolarHBondContact O-CB 3.37Å; Y156-R160 PolarHBondContact O-N 3.23Å; Y156-C235 WeakPolarHBondContact CD1-O 3.08Å; Y156-C235 WeakPolarHBondContact CE1-O 3.3Å
157	I	34.1	Very low	32	Very low	53 Å²	53	86.3 Å²	86.3	27%	0.272	47%	0.469	S	S	.	.	H	α-helix	trans	-62.8	-46.6	178.6	-68	167.7	0	0	0	110.6	S153 M154 Q159 R160 L161 C235	S153-I157 WeakPolarHBondContact O-CG1 3.21Å; S153-I157 PolarHBondContact O-N 3.38Å; M154-I157 PolarHBondContact O-N 3.22Å; I157-Q159 PolarHBondContact O-N 2.84Å; I157-R160 PolarHBondContact O-N 2.69Å; I157-L161 HydrophobicContact CG2-CD1 4Å; I157-L161 WeakPolarHBondContact O-CG 3.44Å; I157-L161 PolarHBondContact O-N 2.77Å; I157-C235 HydrophobicContact CG1-CB 4.4Å
158	A	34.9	Very low	31.6	Very low	58 Å²	58	84.1 Å²	84.1	48%	0.479	47%	0.469	S	S	.	.	H	α-helix	trans	-60.1	-46.4	178.5	0	0	0	0	0	112.2	M154 R160 L161 A162	M154-A158 PolarHBondContact O-N 3.2Å; M154-A158 VanDerWaalsContact O-N 3.07Å; A158-R160 VanDerWaalsContact C-N 3.31Å; A158-R160 PolarHBondContact O-N 3.28Å; A158-L161 PolarHBondContact O-N 3.09Å; A158-A162 WeakPolarHBondContact O-CB 3.43Å; A158-A162 PolarHBondContact O-N 3.14Å
159	Q	35.6	Very low	31.1	Very low	94 Å²	94	87.8 Å²	87.8	44%	0.439	48%	0.477	S	S	.	.	H	α-helix	trans	-60.2	-39.1	176	-75	174.4	-18.4	0	0	112.4	R155 Y156 I157 A162 A163	R155-Q159 WeakPolarHBondContact O-CB 3.44Å; R155-Q159 VanDerWaalsContact O-CG 3.29Å; R155-Q159 WeakPolarHBondContact O-CG 3.13Å; R155-Q159 PolarHBondContact O-N 2.98Å; R155-Q159 VanDerWaalsContact O-N 3.14Å; Y156-Q159 PolarHBondContact O-N 3.15Å; I157-Q159 PolarHBondContact O-N 2.84Å; Q159-A162 PolarHBondContact O-N 3.23Å; Q159-A163 VanDerWaalsContact O-CB 3.31Å; Q159-A163 WeakPolarHBondContact O-CB 3.26Å; Q159-A163 PolarHBondContact O-N 3.46Å
160	R	30.9	Very low	30.9	Very low	89 Å²	89	88.6 Å²	88.6	34%	0.336	48%	0.476	S	S	.	.	H	α-helix	trans	-74.1	-34.1	-178.3	-155.4	177	-173.2	-166.8	-3.7	113.1	Y156 I157 A158 S164	Y156-R160 WeakPolarHBondContact O-CB 3.37Å; Y156-R160 PolarHBondContact O-N 3.23Å; I157-R160 PolarHBondContact O-N 2.69Å; A158-R160 VanDerWaalsContact C-N 3.31Å; A158-R160 PolarHBondContact O-N 3.28Å; R160-S164 PolarHBondContact O-N 2.73Å; R160-S164 PolarHBondContact O-OG 2.92Å
161	L	32.7	Very low	30.5	Very low	126 Å²	126	91.9 Å²	91.9	66%	0.66	49%	0.49	S	S	*	.	H	α-helix	trans	-66.8	-45.5	171.3	-71.2	170.7	0	0	0	111	I157 A158 A163 S164	I157-L161 HydrophobicContact CG2-CD1 4Å; I157-L161 WeakPolarHBondContact O-CG 3.44Å; I157-L161 PolarHBondContact O-N 2.77Å; A158-L161 PolarHBondContact O-N 3.09Å; L161-A163 VanDerWaalsContact C-N 3.29Å; L161-A163 PolarHBondContact O-N 3.46Å; L161-S164 WeakPolarHBondContact O-CB 3.39Å; L161-S164 PolarHBondContact O-N 2.78Å; L161-S164 VanDerWaalsContact O-N 3.16Å
162	A	31.9	Very low	30.2	Very low	91 Å²	91	93.4 Å²	93.4	75%	0.752	50%	0.499	S	S	*	.	H	α-helix	trans	-63.2	-32.1	176.1	0	0	0	0	0	113.4	A158 Q159 S164	A158-A162 WeakPolarHBondContact O-CB 3.43Å; A158-A162 PolarHBondContact O-N 3.14Å; Q159-A162 PolarHBondContact O-N 3.23Å; A162-S164 VanDerWaalsContact C-N 3.32Å
163	A	28	Very low	29.8	Very low	77 Å²	77	85.2 Å²	85.2	64%	0.636	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-4.3	176.9	0	0	0	0	0	114.4	Q159 L161 P165	Q159-A163 VanDerWaalsContact O-CB 3.31Å; Q159-A163 WeakPolarHBondContact O-CB 3.26Å; Q159-A163 PolarHBondContact O-N 3.46Å; L161-A163 VanDerWaalsContact C-N 3.29Å; L161-A163 PolarHBondContact O-N 3.46Å; A163-P165 WeakPolarHBondContact O-CD 3.45Å
164	S	25.2	Very low	29.7	Very low	70 Å²	70	88.6 Å²	88.6	49%	0.49	49%	0.486	S	S	.	.	S	Bend	trans	-85.8	110.9	179.5	-65.6	0	0	0	0	109.8	R160 L161 A162	R160-S164 PolarHBondContact O-N 2.73Å; R160-S164 PolarHBondContact O-OG 2.92Å; L161-S164 WeakPolarHBondContact O-CB 3.39Å; L161-S164 PolarHBondContact O-N 2.78Å; L161-S164 VanDerWaalsContact O-N 3.16Å; A162-S164 VanDerWaalsContact C-N 3.32Å
165	P	27.5	Very low	29.3	Very low	88 Å²	88	88.1 Å²	88.1	57%	0.571	49%	0.485	S	S	*	.			trans	-63.6	131.7	-178	25.1	-33.4	0	0	0	110	A163 N167	A163-P165 WeakPolarHBondContact O-CD 3.45Å; P165-N167 PolarHBondContact O-N 2.92Å
166	P	29.6	Very low	28.9	Very low	120 Å²	120	92 Å²	92	78%	0.779	50%	0.499	S	S	*	.			trans	-58.7	129.2	-178.7	23.3	-32.9	0	0	0	110	S168	P166-S168 VanDerWaalsContact C-N 3.3Å; P166-S168 PolarHBondContact O-N 2.85Å
167	N	26.3	Very low	28.4	Very low	90 Å²	90	90.4 Å²	90.4	48%	0.481	50%	0.497	S	S	.	.			trans	-73.3	82.4	-179.9	-73.9	-24	0	0	0	110	P165 Y169 K252	P165-N167 PolarHBondContact O-N 2.92Å; N167-Y169 PolarHBondContact O-N 2.85Å; N167-K252 PolarHBondContact OD1-NZ 3.28Å
168	S	24.4	Very low	28	Very low	77 Å²	77	91.6 Å²	91.6	54%	0.538	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	9	-179.5	52.2	0	0	0	0	115.8	P166	P166-S168 VanDerWaalsContact C-N 3.3Å; P166-S168 PolarHBondContact O-N 2.85Å
169	Y	24	Very low	27.6	Very low	179 Å²	179	96 Å²	96	70%	0.702	51%	0.514	S	S	*	.	H	α-helix	trans	-83.5	-27.8	177.9	-75	-78.8	0	0	0	113.5	N167 E171 V173	N167-Y169 PolarHBondContact O-N 2.85Å; Y169-E171 VanDerWaalsContact C-N 3.28Å; Y169-E171 PolarHBondContact O-N 3.36Å; Y169-V173 WeakPolarHBondContact O-CG2 3.1Å; Y169-V173 PolarHBondContact O-N 3.12Å
170	D	26.7	Very low	27.2	Very low	100 Å²	100	96.1 Å²	96.1	54%	0.535	52%	0.517	S	S	.	.	H	α-helix	trans	-66.7	-33.3	177.9	-68.1	-34.1	0	0	0	111.3	F174	D170-F174 WeakPolarHBondContact O-CB 3.3Å; D170-F174 PolarHBondContact O-N 2.77Å; D170-F174 VanDerWaalsContact O-N 3.14Å
171	E	24.6	Very low	26.8	Very low	138 Å²	138	94.3 Å²	94.3	65%	0.645	53%	0.525	S	S	*	.	H	α-helix	trans	-69.8	-46.3	177.3	-65.3	-175.7	135.9	0	0	112.7	Y169 V173 F174 L175	Y169-E171 VanDerWaalsContact C-N 3.28Å; Y169-E171 PolarHBondContact O-N 3.36Å; E171-V173 VanDerWaalsContact C-N 3.32Å; E171-V173 PolarHBondContact O-N 2.98Å; E171-F174 PolarHBondContact O-N 2.83Å; E171-L175 WeakPolarHBondContact O-CB 3.43Å; E171-L175 VanDerWaalsContact O-CG 3.26Å; E171-L175 WeakPolarHBondContact O-CG 3.01Å; E171-L175 PolarHBondContact O-N 2.86Å
172	D	26.1	Very low	26.3	Very low	73 Å²	73	94.7 Å²	94.7	39%	0.39	53%	0.525	S	S	.	.	H	α-helix	trans	-68.8	-30.9	-178	-159.9	62.2	0	0	0	112.2	R176	D172-R176 WeakPolarHBondContact O-CD 3.4Å; D172-R176 VanDerWaalsContact O-CG 3.24Å; D172-R176 WeakPolarHBondContact O-CG 3.43Å; D172-R176 PolarHBondContact O-N 3.05Å; D172-R176 IonicContact OD2-CZ 2.78Å; D172-R176 VanDerWaalsContact OD2-CZ 3.25Å; D172-R176 IonicContact OD2-NE 3.26Å; D172-R176 PolarHBondContact OD2-NE 2.89Å; D172-R176 IonicContact OD2-NH2 2.74Å; D172-R176 PolarHBondContact OD2-NH2 3.11Å
173	V	27.6	Very low	25.9	Very low	33 Å²	33	95.8 Å²	95.8	20%	0.2	52%	0.518	C	S	.	.	H	α-helix	trans	-70	-44.6	172.5	175.7	0	0	0	0	111.1	Y169 E171 R176 L177	Y169-V173 WeakPolarHBondContact O-CG2 3.1Å; Y169-V173 PolarHBondContact O-N 3.12Å; E171-V173 VanDerWaalsContact C-N 3.32Å; E171-V173 PolarHBondContact O-N 2.98Å; V173-R176 PolarHBondContact O-N 3.35Å; V173-L177 HydrophobicContact CG1-CD1 4.21Å; V173-L177 WeakPolarHBondContact O-CG 3.37Å; V173-L177 PolarHBondContact O-N 2.75Å
174	F	28.1	Very low	25.7	Very low	74 Å²	74	97.9 Å²	97.9	33%	0.325	52%	0.523	S	S	.	.	H	α-helix	trans	-66.7	-38.9	179.8	-159.1	-101.9	0	0	0	112.4	L81 D170 E171 R176 L177 I178	L81-F174 HydrophobicContact CB-CE1 4.41Å; D170-F174 WeakPolarHBondContact O-CB 3.3Å; D170-F174 PolarHBondContact O-N 2.77Å; D170-F174 VanDerWaalsContact O-N 3.14Å; E171-F174 PolarHBondContact O-N 2.83Å; F174-R176 VanDerWaalsContact C-N 3.33Å; F174-R176 PolarHBondContact O-N 3.1Å; F174-L177 PolarHBondContact O-N 2.84Å; F174-I178 HydrophobicContact CD1-CD1 3.91Å; F174-I178 HydrophobicContact CE1-CD1 3.68Å; F174-I178 HydrophobicContact CE1-CG1 4.42Å; F174-I178 PolarHBondContact O-N 3.05Å; F174-I178 VanDerWaalsContact O-N 3.14Å
175	L	26.1	Very low	25.7	Very low	74 Å²	74	100.1 Å²	100.1	39%	0.387	54%	0.536	S	S	.	.	H	α-helix	trans	-60.2	-40.2	173.5	-74.8	167.4	0	0	0	112.1	F83 E171 Q179	F83-L175 HydrophobicContact CE1-CD2 4.03Å; F83-L175 HydrophobicContact CZ-CD2 3.59Å; E171-L175 WeakPolarHBondContact O-CB 3.43Å; E171-L175 VanDerWaalsContact O-CG 3.26Å; E171-L175 WeakPolarHBondContact O-CG 3.01Å; E171-L175 PolarHBondContact O-N 2.86Å; L175-Q179 WeakPolarHBondContact O-CG 3.38Å; L175-Q179 PolarHBondContact O-N 3.31Å; L175-Q179 VanDerWaalsContact O-N 3.07Å
176	R	26.4	Very low	25.6	Very low	133 Å²	133	103.1 Å²	103.1	50%	0.502	55%	0.547	S	S	.	.	H	α-helix	trans	-69.7	-33.7	175.8	-70.9	171	-165.6	-123.6	7.5	113.2	D172 V173 F174 Q179	D172-R176 WeakPolarHBondContact O-CD 3.4Å; D172-R176 VanDerWaalsContact O-CG 3.24Å; D172-R176 WeakPolarHBondContact O-CG 3.43Å; D172-R176 PolarHBondContact O-N 3.05Å; D172-R176 IonicContact OD2-CZ 2.78Å; D172-R176 VanDerWaalsContact OD2-CZ 3.25Å; D172-R176 IonicContact OD2-NE 3.26Å; D172-R176 PolarHBondContact OD2-NE 2.89Å; D172-R176 IonicContact OD2-NH2 2.74Å; D172-R176 PolarHBondContact OD2-NH2 3.11Å; V173-R176 PolarHBondContact O-N 3.35Å; F174-R176 VanDerWaalsContact C-N 3.33Å; F174-R176 PolarHBondContact O-N 3.1Å; R176-Q179 PolarHBondContact O-N 2.91Å
177	L	26	Very low	25.3	Very low	62 Å²	62	104.4 Å²	104.4	33%	0.325	55%	0.546	S	S	.	.	H	α-helix	trans	-66.4	-38	176	-72.7	168.8	0	0	0	112.1	V173 F174	V173-L177 HydrophobicContact CG1-CD1 4.21Å; V173-L177 WeakPolarHBondContact O-CG 3.37Å; V173-L177 PolarHBondContact O-N 2.75Å; F174-L177 PolarHBondContact O-N 2.84Å
178	I	25.9	Very low	25.2	Very low	78 Å²	78	104.5 Å²	104.5	40%	0.4	55%	0.546	S	S	.	.	H	α-helix	trans	-70	-40	173.5	-67.8	174.5	0	0	0	111.3	F83 F174 I180 G181	F83-I178 HydrophobicContact CE2-CD1 3.81Å; F174-I178 HydrophobicContact CD1-CD1 3.91Å; F174-I178 HydrophobicContact CE1-CD1 3.68Å; F174-I178 HydrophobicContact CE1-CG1 4.42Å; F174-I178 PolarHBondContact O-N 3.05Å; F174-I178 VanDerWaalsContact O-N 3.14Å; I178-I180 PolarHBondContact O-N 2.96Å; I178-G181 PolarHBondContact O-N 3Å
179	Q	26.6	Very low	25.2	Very low	149 Å²	149	105.6 Å²	105.6	70%	0.696	55%	0.554	S	S	*	*	H	α-helix	trans	-60.6	-16.9	-179.6	-83.4	-175.3	-27.4	0	0	115.1	L175 R176	L175-Q179 WeakPolarHBondContact O-CG 3.38Å; L175-Q179 PolarHBondContact O-N 3.31Å; L175-Q179 VanDerWaalsContact O-N 3.07Å; R176-Q179 PolarHBondContact O-N 2.91Å
180	I	25.9	Very low	25.2	Very low	98 Å²	98	105.2 Å²	105.2	50%	0.503	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116.9	15.5	-175.3	-50.9	170.6	0	0	0	110.9	I178 M182 L302	I178-I180 PolarHBondContact O-N 2.96Å; I180-M182 VanDerWaalsContact C-N 3.25Å; I180-M182 PolarHBondContact O-N 2.96Å; I180-M182 VanDerWaalsContact O-N 3.07Å; I180-L302 HydrophobicContact CD1-CD1 3.5Å; I180-L302 VanDerWaalsContact CD1-CD1 3.5Å; I180-L302 HydrophobicContact CD1-CD2 4.08Å; I180-L302 HydrophobicContact CD1-CG 4.45Å; I180-L302 HydrophobicContact CG2-CD1 4.42Å
181	G	23.1	Very low	25	Very low	50 Å²	50	108.2 Å²	108.2	52%	0.515	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	69.5	8	163.2	0	0	0	0	0	116.9	I178 L183	I178-G181 PolarHBondContact O-N 3Å; G181-L183 PolarHBondContact O-N 3.12Å
182	M	22.8	Very low	24.8	Very low	134 Å²	134	108.5 Å²	108.5	66%	0.66	57%	0.57	S	S	*	*			trans	-81.5	7.1	-176.9	-73.1	-160.3	73.8	0	0	115	I180 Y197	I180-M182 VanDerWaalsContact C-N 3.25Å; I180-M182 PolarHBondContact O-N 2.96Å; I180-M182 VanDerWaalsContact O-N 3.07Å; M182-Y197 HydrophobicContact CE-CE1 4.45Å
183	L	23	Very low	24.6	Very low	114 Å²	114	111.9 Å²	111.9	60%	0.597	59%	0.588	S	S	*	*			trans	-128.9	78.3	172.8	-92.7	161.9	0	0	0	109.9	G181	G181-L183 PolarHBondContact O-N 3.12Å
184	V	23.6	Very low	24.5	Very low	121 Å²	121	117.8 Å²	117.8	73%	0.733	61%	0.607	S	S	*	*			trans	-109.8	109.5	165.2	179.6	0	0	0	0	107.4	N186	V184-N186 PolarHBondContact O-N 2.97Å
185	P	25.8	Very low	24.2	Very low	118 Å²	118	120.8 Å²	120.8	77%	0.766	63%	0.626	S	S	*	*			trans	-81.4	103.6	179.4	31.1	-31.5	0	0	0	110.3
186	N	25.3	Very low	24.1	Very low	151 Å²	151	123.5 Å²	123.5	81%	0.807	65%	0.645	S	S	*	*			trans	-134.6	106	157.2	-163.4	7.2	0	0	0	108	V184	V184-N186 PolarHBondContact O-N 2.97Å
187	I	24.1	Very low	24	Very low	147 Å²	147	123 Å²	123	75%	0.754	64%	0.644	S	S	*	*			trans	-110.1	94	-176.8	-58.7	176.3	0	0	0	107.5	S189	I187-S189 PolarHBondContact O-N 2.85Å
188	D	23.2	Very low	24	Very low	91 Å²	91	125 Å²	125	49%	0.487	67%	0.671	S	S	.	*			trans	-74.8	104.3	159.7	179.7	-4.8	0	0	0	107.6	M190 K191	D188-M190 PolarHBondContact O-N 2.8Å; D188-M190 PolarHBondContact OD1-N 2.94Å; D188-M190 VanDerWaalsContact OD1-N 3.12Å; D188-K191 PolarHBondContact O-N 3.19Å
189	S	25.1	Very low	23.9	Very low	101 Å²	101	124 Å²	124	71%	0.706	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-10.3	-174.1	50.6	0	0	0	0	114.3	I187	I187-S189 PolarHBondContact O-N 2.85Å
190	M	22.9	Very low	24.1	Very low	170 Å²	170	120.3 Å²	120.3	84%	0.837	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-5.4	-178.9	-70.7	-67.3	-77.8	0	0	113.7	D188	D188-M190 PolarHBondContact O-N 2.8Å; D188-M190 PolarHBondContact OD1-N 2.94Å; D188-M190 VanDerWaalsContact OD1-N 3.12Å
191	K	22.7	Very low	24.7	Very low	164 Å²	164	120.4 Å²	120.4	71%	0.713	66%	0.66	S	S	*	*			trans	-120.1	82.5	175.8	-67.4	-177.3	-178.1	174.3	0	110.7	D188 D193	D188-K191 PolarHBondContact O-N 3.19Å; K191-D193 PolarHBondContact O-N 3.02Å
192	E	21.5	Very low	25.4	Very low	143 Å²	143	124.3 Å²	124.3	67%	0.668	66%	0.664	S	S	*	*			trans	-68	73.9	167.4	-77.8	-152.3	117.7	0	0	111.5	R194	E192-R194 IonicContact OE1-CZ 3.14Å; E192-R194 IonicContact OE1-NE 3.68Å; E192-R194 IonicContact OE1-NH2 3.93Å; E192-R194 PolarHBondContact OE1-NH2 2.83Å
193	D	21.9	Very low	25.8	Very low	145 Å²	145	118.5 Å²	118.5	78%	0.775	64%	0.635	S	S	*	*			trans	-118.6	87.7	158.4	-111.8	-32.9	0	0	0	109.4	K191	K191-D193 PolarHBondContact O-N 3.02Å
194	R	24.2	Very low	26.7	Very low	157 Å²	157	117.5 Å²	117.5	59%	0.592	63%	0.634	S	S	*	*			trans	-78.8	132.9	177.6	-59.5	-179.5	-173.1	176.1	5.5	108.4	E192	E192-R194 IonicContact OE1-CZ 3.14Å; E192-R194 IonicContact OE1-NE 3.68Å; E192-R194 IonicContact OE1-NH2 3.93Å; E192-R194 PolarHBondContact OE1-NH2 2.83Å
195	L	22.4	Very low	27.8	Very low	136 Å²	136	115.3 Å²	115.3	71%	0.712	64%	0.636	S	S	*	*			trans	93.2	42	173.7	-49.1	163.2	0	0	0	117	Y197	L195-Y197 HydrophobicContact CB-CD2 4.23Å; L195-Y197 HydrophobicContact CB-CE2 4.05Å; L195-Y197 HydrophobicContact CD2-CE2 3.79Å; L195-Y197 HydrophobicContact CG-CE2 4.43Å; L195-Y197 PolarHBondContact O-N 2.57Å
196	T	23.2	Very low	29	Very low	131 Å²	131	110.2 Å²	110.2	80%	0.804	61%	0.605	S	S	*	*			trans	-68.7	74.7	156.8	-40.7	0	0	0	0	110.7	A198	T196-A198 PolarHBondContact O-N 3.08Å
197	Y	25.6	Very low	29.9	Very low	122 Å²	122	108 Å²	108	48%	0.478	60%	0.597	S	S	.	*			trans	-61.9	125.6	160.8	-70.6	-75.7	0	0	0	107.6	M182 L195 V199 L288	M182-Y197 HydrophobicContact CE-CE1 4.45Å; L195-Y197 HydrophobicContact CB-CD2 4.23Å; L195-Y197 HydrophobicContact CB-CE2 4.05Å; L195-Y197 HydrophobicContact CD2-CE2 3.79Å; L195-Y197 HydrophobicContact CG-CE2 4.43Å; L195-Y197 PolarHBondContact O-N 2.57Å; Y197-V199 VanDerWaalsContact C-N 3.29Å; Y197-V199 PolarHBondContact O-N 3Å; Y197-L288 HydrophobicContact CD2-CD2 4.5Å
198	A	25.5	Very low	30.8	Very low	106 Å²	106	106.2 Å²	106.2	88%	0.876	58%	0.584	S	S	*	*			trans	-66.3	88.4	178.1	0	0	0	0	0	110.3	T196 N200	T196-A198 PolarHBondContact O-N 3.08Å; A198-N200 PolarHBondContact O-N 3.21Å; A198-N200 VanDerWaalsContact O-N 3.13Å
199	V	23.6	Very low	31.7	Very low	55 Å²	55	104.3 Å²	104.3	33%	0.333	58%	0.578	S	S	.	*			trans	-70.8	105.4	171.9	-178.5	0	0	0	0	106.7	Y197 F203 F208	Y197-V199 VanDerWaalsContact C-N 3.29Å; Y197-V199 PolarHBondContact O-N 3Å; V199-F203 HydrophobicContact CG1-CB 3.6Å; V199-F208 HydrophobicContact CG1-CZ 4.45Å; V199-F208 HydrophobicContact CG2-CE1 4.21Å; V199-F208 HydrophobicContact CG2-CZ 3.97Å
200	N	30.1	Very low	32.6	Very low	72 Å²	72	106 Å²	106	39%	0.385	57%	0.573	S	S	.	*			trans	-44	130.1	170.7	167.3	-3.3	0	0	0	108.8	A198 E202 F203	A198-N200 PolarHBondContact O-N 3.21Å; A198-N200 VanDerWaalsContact O-N 3.13Å; N200-E202 PolarHBondContact O-N 3.03Å; N200-E202 PolarHBondContact OD1-N 2.96Å; N200-F203 HydrophobicContact CB-CD2 4.15Å; N200-F203 PolarHBondContact O-N 2.93Å
201	P	39.2	Very low	33.6	Very low	100 Å²	100	98.7 Å²	98.7	65%	0.649	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-51.8	-26	-172.7	16.1	-31.3	0	0	0	114.8	F203 V204	P201-F203 PolarHBondContact O-N 3.22Å; P201-F203 VanDerWaalsContact O-N 3.14Å; P201-V204 WeakPolarHBondContact O-CB 3.31Å; P201-V204 PolarHBondContact O-N 2.88Å; P201-V204 VanDerWaalsContact O-N 3.14Å
202	E	36.7	Very low	34.3	Very low	132 Å²	132	97.1 Å²	97.1	62%	0.617	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-57.4	-23.5	171.5	-66	-173.9	162.1	0	0	114.2	N200 R292	N200-E202 PolarHBondContact O-N 3.03Å; N200-E202 PolarHBondContact OD1-N 2.96Å; E202-R292 WeakPolarHBondContact O-CD 3.25Å; E202-R292 PolarHBondContact O-NH1 3.06Å
203	F	31.7	Very low	35.2	Very low	12 Å²	12	92.6 Å²	92.6	5%	0.053	53%	0.531	C	S	.	.	G	3₁₀ helix	trans	-102.2	4.8	179.9	-65.4	-88.7	0	0	0	113.9	V199 N200 P201 G205 G206 V290 R292 T295 L297	V199-F203 HydrophobicContact CG1-CB 3.6Å; N200-F203 HydrophobicContact CB-CD2 4.15Å; N200-F203 PolarHBondContact O-N 2.93Å; P201-F203 PolarHBondContact O-N 3.22Å; P201-F203 VanDerWaalsContact O-N 3.14Å; F203-G205 PolarHBondContact O-N 2.87Å; F203-G206 PolarHBondContact O-N 2.8Å; F203-V290 HydrophobicContact CB-CG1 4.04Å; F203-V290 HydrophobicContact CD1-CB 4.2Å; F203-V290 HydrophobicContact CD1-CG1 4.05Å; F203-V290 HydrophobicContact CG-CG1 4.41Å; F203-R292 HydrophobicContact CD1-CB 4.43Å; F203-T295 HydrophobicContact CE1-CG2 4.06Å; F203-T295 HydrophobicContact CZ-CG2 3.74Å; F203-L297 HydrophobicContact CD1-CB 4.36Å; F203-L297 HydrophobicContact CE1-CB 3.76Å; F203-L297 HydrophobicContact CE2-CB 4.2Å; F203-L297 HydrophobicContact CE2-CD2 4.45Å; F203-L297 HydrophobicContact CZ-CB 3.68Å
204	V	42.3	Very low	35.7	Very low	93 Å²	93	89.7 Å²	89.7	56%	0.564	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	121.5	169.9	173.1	0	0	0	0	109	P201 R292	P201-V204 WeakPolarHBondContact O-CB 3.31Å; P201-V204 PolarHBondContact O-N 2.88Å; P201-V204 VanDerWaalsContact O-N 3.14Å; V204-R292 PolarHBondContact O-NE 3.43Å; V204-R292 PolarHBondContact O-NH1 3.02Å; V204-R292 PolarHBondContact O-NH2 3.02Å
205	G	46.1	Very low	36.3	Very low	76 Å²	76	86.2 Å²	86.2	78%	0.784	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	12.6	-171	0	0	0	0	0	115.4	F203	F203-G205 PolarHBondContact O-N 2.87Å
206	G	51.1	Low	36.9	Very low	10 Å²	10	89.5 Å²	89.5	10%	0.103	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-75.8	150.7	169.5	0	0	0	0	0	113	F203 F208 T291	F203-G206 PolarHBondContact O-N 2.8Å; G206-F208 WeakPolarHBondContact O-CD2 3.35Å; G206-F208 WeakPolarHBondContact O-CE2 3.42Å; G206-T291 CarbonylContact C-O 3.28Å; G206-T291 WeakPolarHBondContact CA-O 3.48Å
207	T	45.4	Very low	37.7	Very low	105 Å²	105	88.2 Å²	88.2	64%	0.644	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	126.2	173.2	27.7	0	0	0	0	111.2	T291	T207-T291 PolarHBondContact N-O 2.81Å; T207-T291 PolarHBondContact O-N 2.63Å; T207-T291 PolarHBondContact OG1-O 2.8Å
208	F	43.1	Very low	38.6	Very low	109 Å²	109	87 Å²	87	48%	0.478	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	140.8	178.5	-66.2	-101.8	0	0	0	110.9	V199 G206 L288 S289 V290	V199-F208 HydrophobicContact CG1-CZ 4.45Å; V199-F208 HydrophobicContact CG2-CE1 4.21Å; V199-F208 HydrophobicContact CG2-CZ 3.97Å; G206-F208 WeakPolarHBondContact O-CD2 3.35Å; G206-F208 WeakPolarHBondContact O-CE2 3.42Å; F208-L288 HydrophobicContact CD1-CD1 4.22Å; F208-S289 CarbonylContact C-O 3.52Å; F208-V290 HydrophobicContact CD1-CB 4.3Å; F208-V290 HydrophobicContact CD1-CG1 4.02Å; F208-V290 HydrophobicContact CD1-CG2 3.59Å; F208-V290 HydrophobicContact CD2-CG1 4.33Å; F208-V290 HydrophobicContact CE1-CB 4.18Å; F208-V290 HydrophobicContact CE1-CG1 3.71Å; F208-V290 HydrophobicContact CE1-CG2 3.41Å; F208-V290 VanDerWaalsContact CE1-CG2 3.41Å; F208-V290 HydrophobicContact CE2-CG1 4.02Å; F208-V290 HydrophobicContact CG-CG1 4.31Å; F208-V290 HydrophobicContact CZ-CG1 3.7Å; F208-V290 HydrophobicContact CZ-CG2 4.23Å
209	S	42.2	Very low	39.7	Very low	52 Å²	52	84.4 Å²	84.4	36%	0.364	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	147.2	175	59.5	0	0	0	0	110.3	S289	S209-S289 PolarHBondContact N-O 3.16Å; S209-S289 WeakPolarHBondContact O-CB 3.35Å; S209-S289 PolarHBondContact O-N 3.03Å; S209-S289 WeakPolarHBondContact OG-CB 3.48Å; S209-S289 PolarHBondContact OG-O 2.76Å
210	F	44	Very low	41.4	Very low	136 Å²	136	91.7 Å²	91.7	60%	0.596	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.3	177.9	-68.9	-91.6	0	0	0	109.8	P286 L288	F210-P286 HydrophobicContact CD1-CG 4.45Å; F210-L288 HydrophobicContact CD1-CD1 4Å; F210-L288 HydrophobicContact CE1-CD1 3.64Å; F210-L288 HydrophobicContact CE2-CD1 4.27Å; F210-L288 HydrophobicContact CG-CD1 4.47Å; F210-L288 HydrophobicContact CZ-CD1 3.79Å
211	G	43.5	Very low	43.1	Very low	17 Å²	17	88.3 Å²	88.3	18%	0.175	48%	0.484	C	S	.	.			trans	-60.6	145.5	174.3	0	0	0	0	0	112	C213 V287	G211-C213 PolarHBondContact O-N 2.77Å; G211-V287 PolarHBondContact N-O 3Å
212	P	36.6	Very low	45.1	Very low	131 Å²	131	87.3 Å²	87.3	85%	0.851	47%	0.471	S	S	*	.			trans	-65.8	105.3	175.4	27.3	-33.3	0	0	0	109.9	S214	P212-S214 PolarHBondContact O-N 3.39Å
213	C	41.1	Very low	47.1	Very low	48 Å²	48	81 Å²	81	32%	0.324	44%	0.441	S	S	.	.			trans	-65.9	117.1	170.4	-167.5	0	0	0	0	108.4	G211 P215 Q284 P286	G211-C213 PolarHBondContact O-N 2.77Å; C213-P215 WeakPolarHBondContact O-CD 3.43Å; C213-Q284 PolarHBondContact SG-O 3.22Å; C213-P286 HydrophobicContact CB-CB 4.12Å
214	S	31.9	Very low	49.4	Very low	84 Å²	84	80.6 Å²	80.6	59%	0.587	44%	0.44	S	S	*	.			trans	-90.5	103.9	174.2	-171.8	0	0	0	0	108.2	P212 R216	P212-S214 PolarHBondContact O-N 3.39Å; S214-R216 VanDerWaalsContact C-N 3.28Å; S214-R216 PolarHBondContact O-N 3.37Å
215	P	36.8	Very low	51.1	Low	83 Å²	83	76.2 Å²	76.2	54%	0.539	41%	0.413	S	S	.	.			trans	-73.1	84.3	-178.5	31.4	-35.6	0	0	0	109.3	C213 H217	C213-P215 WeakPolarHBondContact O-CD 3.43Å; P215-H217 VanDerWaalsContact C-N 3.35Å
216	R	35.1	Very low	52.2	Low	205 Å²	205	72.6 Å²	72.6	77%	0.774	38%	0.376	S	S	*	.			trans	-69.3	-33.7	-177.9	-77.2	-169.6	170.1	-172	-2.5	112.4	S214	S214-R216 VanDerWaalsContact C-N 3.28Å; S214-R216 PolarHBondContact O-N 3.37Å
217	H	39	Very low	53	Low	104 Å²	104	72.2 Å²	72.2	48%	0.481	37%	0.372	S	S	.	.			trans	-133.7	85.2	-172	-54.4	-34.3	0	0	0	111.5	P215 Y219 Q284	P215-H217 VanDerWaalsContact C-N 3.35Å; H217-Y219 VanDerWaalsContact C-N 3.32Å; H217-Y219 HydrophobicContact CB-CD2 4.03Å; H217-Y219 HydrophobicContact CB-CE1 4.43Å; H217-Y219 HydrophobicContact CB-CE2 3.52Å; H217-Y219 PolarHBondContact O-N 3.12Å; H217-Y219 VanDerWaalsContact O-N 3.16Å; H217-Q284 PolarHBondContact O-NE2 2.85Å
218	V	45.2	Very low	53.7	Low	96 Å²	96	70.3 Å²	70.3	58%	0.582	36%	0.357	S	S	*	.			trans	-76.6	92.3	157.2	179.8	0	0	0	0	106.3	R220	V218-R220 PolarHBondContact O-N 2.95Å; V218-R220 VanDerWaalsContact O-N 3.14Å
219	Y	49.6	Very low	54.5	Low	53 Å²	53	67.8 Å²	67.8	21%	0.208	35%	0.348	C	S	.	.			trans	-62	116.1	174.9	-68.2	-82.4	0	0	0	108.9	H217 V221 N282 E312	H217-Y219 VanDerWaalsContact C-N 3.32Å; H217-Y219 HydrophobicContact CB-CD2 4.03Å; H217-Y219 HydrophobicContact CB-CE1 4.43Å; H217-Y219 HydrophobicContact CB-CE2 3.52Å; H217-Y219 PolarHBondContact O-N 3.12Å; H217-Y219 VanDerWaalsContact O-N 3.16Å; Y219-V221 VanDerWaalsContact C-N 3.32Å; Y219-V221 PolarHBondContact O-N 2.81Å; Y219-N282 WeakPolarHBondContact CD2-OD1 3.36Å; Y219-E312 HydrophobicContact CD1-CG 4.5Å
220	R	59.7	Low	55.6	Low	207 Å²	207	65.9 Å²	65.9	78%	0.781	33%	0.333	S	S	*	.			trans	-76.7	87	177	-75.1	-175.7	174.8	178.2	0.1	108.7	V218 E222	V218-R220 PolarHBondContact O-N 2.95Å; V218-R220 VanDerWaalsContact O-N 3.14Å; R220-E222 PolarHBondContact O-N 3.37Å
221	V	65.8	Low	56.4	Low	2 Å²	2	62.3 Å²	62.3	1%	0.012	32%	0.316	C	S	.	.			trans	-66.4	118.2	175.7	-172.8	0	0	0	0	109.4	Y219 L276 T277 P311 E312 V314 L356	Y219-V221 VanDerWaalsContact C-N 3.32Å; Y219-V221 PolarHBondContact O-N 2.81Å; V221-L276 HydrophobicContact CG1-CD1 4.33Å; V221-L276 HydrophobicContact CG2-CB 4.4Å; V221-T277 HydrophobicContact CG2-CG2 3.94Å; V221-P311 WeakPolarHBondContact CG2-O 3.05Å; V221-E312 VanDerWaalsContact CA-O 3.31Å; V221-E312 WeakPolarHBondContact CA-O 3.37Å; V221-V314 HydrophobicContact CG1-CG2 3.63Å; V221-L356 HydrophobicContact CB-CB 4.06Å; V221-L356 HydrophobicContact CB-CD2 4.05Å; V221-L356 HydrophobicContact CG1-CB 4.16Å; V221-L356 HydrophobicContact CG1-CD2 3.71Å; V221-L356 WeakPolarHBondContact O-CB 3.43Å; V221-L356 PolarHBondContact O-N 2.83Å
222	E	79.6	Confident	56.9	Low	78 Å²	78	62.8 Å²	62.8	36%	0.364	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.5	177.6	-72.5	-168.5	-175.4	0	0	111.3	R220 E312 R313 V314 S353	R220-E222 PolarHBondContact O-N 3.37Å; E222-E312 PolarHBondContact N-O 2.82Å; E222-R313 HydrophobicContact CB-CG 4.49Å; E222-R313 CarbonylContact O-C 3.56Å; E222-R313 VanDerWaalsContact O-CA 3.24Å; E222-R313 WeakPolarHBondContact O-CA 3.33Å; E222-V314 PolarHBondContact O-N 3.49Å; E222-S353 VanDerWaalsContact CD-OG 3.29Å; E222-S353 WeakPolarHBondContact OE2-CB 3.43Å; E222-S353 PolarHBondContact OE2-OG 3.26Å
223	A	79.1	Confident	57.8	Low	0 Å²	0	58 Å²	58	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.7	-178.8	0	0	0	0	0	111.9	V314 F316 T354 L356 L359	A223-V314 WeakPolarHBondContact CA-O 3.34Å; A223-V314 HydrophobicContact CB-CB 4.44Å; A223-F316 HydrophobicContact CB-CE2 4.13Å; A223-T354 HydrophobicContact CB-CG2 4.46Å; A223-T354 PolarHBondContact N-O 3.04Å; A223-T354 PolarHBondContact O-N 3.28Å; A223-L356 HydrophobicContact CB-CD1 4.43Å; A223-L359 HydrophobicContact CB-CD1 3.88Å
224	T	80.1	Confident	58.5	Low	4 Å²	4	56.5 Å²	56.5	3%	0.025	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	154.2	172.9	-62.1	0	0	0	0	109.1	V314 L315 F316 C344 E352 S353	T224-V314 PolarHBondContact N-O 3.12Å; T224-L315 HydrophobicContact CG2-CD1 4.41Å; T224-L315 WeakPolarHBondContact O-CA 3.2Å; T224-F316 PolarHBondContact O-N 2.87Å; T224-C344 HydrophobicContact CG2-CB 4.17Å; T224-E352 WeakPolarHBondContact CG2-O 3.17Å; T224-E352 PolarHBondContact OG1-O 2.85Å; T224-S353 WeakPolarHBondContact OG1-CA 3.47Å; T224-S353 WeakPolarHBondContact OG1-CB 3.3Å
225	A	77.7	Confident	59.6	Low	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	149.3	172.9	0	0	0	0	0	111.4	F316 L318 W330 V341 P342 V343 C344	A225-F316 CarbonylContact C-O 3.49Å; A225-F316 VanDerWaalsContact CA-O 3.25Å; A225-F316 WeakPolarHBondContact CA-O 3.39Å; A225-F316 HydrophobicContact CB-CB 4.15Å; A225-L318 HydrophobicContact CB-CD2 4.28Å; A225-L318 HydrophobicContact CB-CG 4.45Å; A225-W330 HydrophobicContact CB-CB 4.27Å; A225-W330 HydrophobicContact CB-CE3 4.42Å; A225-V341 HydrophobicContact CB-CB 4.47Å; A225-V341 HydrophobicContact CB-CG1 3.91Å; A225-P342 PolarHBondContact N-O 3.33Å; A225-V343 HydrophobicContact CB-CG2 3.77Å; A225-V343 WeakPolarHBondContact O-CA 3.27Å; A225-C344 PolarHBondContact O-N 3.25Å
226	L	70.1	Confident	60.1	Low	1 Å²	1	52.1 Å²	52.1	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	131.8	-176	-165.3	69.6	0	0	0	110.1	R230 Y231 F245 W250 L315 F316 V317 L318 C344	L226-R230 HydrophobicContact CD1-CB 3.66Å; L226-R230 HydrophobicContact CD1-CG 4.38Å; L226-R230 HydrophobicContact CD2-CB 4.26Å; L226-R230 HydrophobicContact CG-CB 3.67Å; L226-Y231 HydrophobicContact CD2-CD2 4.44Å; L226-F245 HydrophobicContact CD1-CZ 4.44Å; L226-W250 HydrophobicContact CD2-CH2 3.87Å; L226-W250 HydrophobicContact CD2-CZ2 4.19Å; L226-L315 HydrophobicContact CB-CD1 4.02Å; L226-L315 HydrophobicContact CB-CD2 3.99Å; L226-L315 HydrophobicContact CB-CG 4.15Å; L226-L315 HydrophobicContact CD2-CD2 3.9Å; L226-F316 PolarHBondContact N-O 3.14Å; L226-V317 CarbonylContact O-C 3.48Å; L226-V317 VanDerWaalsContact O-CA 3.32Å; L226-V317 WeakPolarHBondContact O-CA 3.33Å; L226-L318 PolarHBondContact O-N 3.05Å; L226-C344 HydrophobicContact CD1-CB 3.9Å; L226-C344 WeakPolarHBondContact CD1-O 3.33Å
227	P	68.4	Low	60.8	Low	2 Å²	2	44 Å²	44	1%	0.013	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	152.6	168.8	-27.3	37.1	0	0	0	112.9	D229 R230 Y231 V343 N345	P227-D229 WeakPolarHBondContact CB-OD1 3.35Å; P227-D229 PolarHBondContact O-N 2.95Å; P227-R230 HydrophobicContact CB-CB 4.19Å; P227-R230 HydrophobicContact CB-CG 4.04Å; P227-R230 HydrophobicContact CG-CB 4.48Å; P227-R230 HydrophobicContact CG-CG 4.04Å; P227-R230 WeakPolarHBondContact O-CB 3.26Å; P227-R230 PolarHBondContact O-N 3.46Å; P227-Y231 PolarHBondContact O-N 2.86Å; P227-V343 HydrophobicContact CG-CG1 4.38Å; P227-N345 WeakPolarHBondContact CG-OD1 3.31Å
228	L	59.6	Low	61.2	Low	65 Å²	65	43 Å²	43	34%	0.34	22%	0.219	S	C	.	.	H	α-helix	trans	-63.3	-41.3	-179.1	178.2	61.4	0	0	0	112.8	R230 Y231 V232 V317 L318 L319	L228-R230 VanDerWaalsContact C-N 3.31Å; L228-R230 PolarHBondContact O-N 3.1Å; L228-Y231 WeakPolarHBondContact O-CB 3.36Å; L228-Y231 PolarHBondContact O-N 2.77Å; L228-V232 WeakPolarHBondContact O-CG2 3.25Å; L228-V232 PolarHBondContact O-N 3.14Å; L228-V317 HydrophobicContact CB-CG1 4.27Å; L228-V317 HydrophobicContact CD1-CG1 3.86Å; L228-L318 PolarHBondContact N-O 3.22Å; L228-L318 VanDerWaalsContact N-O 3.08Å; L228-L319 HydrophobicContact CD1-CD2 4.11Å; L228-L319 HydrophobicContact CD2-CD2 4.1Å
229	D	59.7	Low	61.1	Low	55 Å²	55	39.7 Å²	39.7	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-60.7	-40.2	174.9	61	-21.1	0	0	0	111.7	P227 V232 D233 T322 A323	P227-D229 WeakPolarHBondContact CB-OD1 3.35Å; P227-D229 PolarHBondContact O-N 2.95Å; D229-V232 PolarHBondContact O-N 3.26Å; D229-D233 PolarHBondContact O-N 3.38Å; D229-T322 WeakPolarHBondContact OD1-CA 3.47Å; D229-A323 PolarHBondContact OD1-N 3.46Å; D229-A323 VanDerWaalsContact OD1-N 3.08Å; D229-A323 WeakPolarHBondContact OD2-CB 3.47Å; D229-A323 PolarHBondContact OD2-N 2.96Å
230	R	65.3	Low	61.2	Low	12 Å²	12	42.9 Å²	42.9	5%	0.045	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-41.2	172.6	-70.4	-50.9	-156.4	-164.3	4.8	113.8	L226 P227 L228 V232 D233 V234 A323 N345 Y347	L226-R230 HydrophobicContact CD1-CB 3.66Å; L226-R230 HydrophobicContact CD1-CG 4.38Å; L226-R230 HydrophobicContact CD2-CB 4.26Å; L226-R230 HydrophobicContact CG-CB 3.67Å; P227-R230 HydrophobicContact CB-CB 4.19Å; P227-R230 HydrophobicContact CB-CG 4.04Å; P227-R230 HydrophobicContact CG-CB 4.48Å; P227-R230 HydrophobicContact CG-CG 4.04Å; P227-R230 WeakPolarHBondContact O-CB 3.26Å; P227-R230 PolarHBondContact O-N 3.46Å; L228-R230 VanDerWaalsContact C-N 3.31Å; L228-R230 PolarHBondContact O-N 3.1Å; R230-V232 VanDerWaalsContact C-N 3.27Å; R230-V232 PolarHBondContact O-N 2.78Å; R230-D233 IonicContact NH1-OD2 3.49Å; R230-D233 PolarHBondContact O-N 3.43Å; R230-V234 WeakPolarHBondContact O-CB 3.37Å; R230-V234 WeakPolarHBondContact O-CG2 3.47Å; R230-V234 PolarHBondContact O-N 3.26Å; R230-A323 HydrophobicContact CG-CB 3.82Å; R230-N345 PolarHBondContact NH2-O 2.9Å; R230-Y347 PolarHBondContact NH1-OH 3.33Å
231	Y	59.8	Low	60.5	Low	61 Å²	61	33.7 Å²	33.7	24%	0.239	20%	0.196	C	C	.	.	H	α-helix	trans	-58	-45.7	173.9	177.2	-99.5	0	0	0	110.1	L226 P227 L228 V234 C235 W250 V256 L315 V317	L226-Y231 HydrophobicContact CD2-CD2 4.44Å; P227-Y231 PolarHBondContact O-N 2.86Å; L228-Y231 WeakPolarHBondContact O-CB 3.36Å; L228-Y231 PolarHBondContact O-N 2.77Å; Y231-V234 PolarHBondContact O-N 3.25Å; Y231-C235 WeakPolarHBondContact O-CB 3.36Å; Y231-C235 PolarHBondContact O-N 2.74Å; Y231-C235 PolarHBondContact O-SG 3.01Å; Y231-W250 AromaticContact CD2-CH2 3.72Å; Y231-W250 HydrophobicContact CD2-CH2 3.72Å; Y231-W250 AromaticContact CD2-CZ3 3.8Å; Y231-W250 HydrophobicContact CD2-CZ3 3.8Å; Y231-W250 HydrophobicContact CE2-CE3 4.49Å; Y231-W250 AromaticContact CE2-CH2 4Å; Y231-W250 HydrophobicContact CE2-CH2 4Å; Y231-W250 AromaticContact CE2-CZ3 3.57Å; Y231-W250 HydrophobicContact CE2-CZ3 3.57Å; Y231-V256 HydrophobicContact CE2-CG1 3.9Å; Y231-V256 HydrophobicContact CE2-CG2 4.37Å; Y231-L315 HydrophobicContact CD2-CD2 3.97Å; Y231-L315 HydrophobicContact CE2-CD2 4.45Å; Y231-V317 HydrophobicContact CD2-CG2 3.75Å; Y231-V317 HydrophobicContact CE2-CG2 4.24Å; Y231-V317 HydrophobicContact CG-CG1 4.22Å; Y231-V317 HydrophobicContact CG-CG2 4Å
232	V	54	Low	59.5	Low	28 Å²	28	37 Å²	37	17%	0.17	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-45.9	175.6	175.5	0	0	0	0	112.1	L228 D229 R230 V234 C235 R236	L228-V232 WeakPolarHBondContact O-CG2 3.25Å; L228-V232 PolarHBondContact O-N 3.14Å; D229-V232 PolarHBondContact O-N 3.26Å; R230-V232 VanDerWaalsContact C-N 3.27Å; R230-V232 PolarHBondContact O-N 2.78Å; V232-V234 VanDerWaalsContact C-N 3.33Å; V232-V234 PolarHBondContact O-N 2.86Å; V232-C235 PolarHBondContact O-N 3.39Å; V232-R236 HydrophobicContact CG1-CG 4.32Å; V232-R236 WeakPolarHBondContact O-CB 2.84Å; V232-R236 VanDerWaalsContact O-CG 3.23Å; V232-R236 WeakPolarHBondContact O-CG 3.13Å; V232-R236 PolarHBondContact O-N 3.34Å
233	D	56.5	Low	58.1	Low	29 Å²	29	36.7 Å²	36.7	16%	0.155	23%	0.234	C	C	.	.	H	α-helix	trans	-59.2	-39.7	176.8	-80.1	-12.5	0	0	0	113.6	D229 R230 R236 G237	D229-D233 PolarHBondContact O-N 3.38Å; R230-D233 IonicContact NH1-OD2 3.49Å; R230-D233 PolarHBondContact O-N 3.43Å; D233-R236 IonicContact OD1-CZ 2.81Å; D233-R236 IonicContact OD1-NH1 2.66Å; D233-R236 PolarHBondContact OD1-NH1 3.24Å; D233-G237 PolarHBondContact O-N 2.83Å
234	V	56.6	Low	56.5	Low	17 Å²	17	40.1 Å²	40.1	10%	0.103	25%	0.25	C	C	.	.	H	α-helix	trans	-72.6	-42.9	176.5	173.6	0	0	0	0	110.6	R230 Y231 V232 R236 G237 F245 W250	R230-V234 WeakPolarHBondContact O-CB 3.37Å; R230-V234 WeakPolarHBondContact O-CG2 3.47Å; R230-V234 PolarHBondContact O-N 3.26Å; Y231-V234 PolarHBondContact O-N 3.25Å; V232-V234 VanDerWaalsContact C-N 3.33Å; V232-V234 PolarHBondContact O-N 2.86Å; V234-R236 VanDerWaalsContact C-N 3.31Å; V234-R236 PolarHBondContact O-N 2.86Å; V234-G237 PolarHBondContact O-N 2.86Å; V234-F245 HydrophobicContact CG1-CB 3.61Å; V234-F245 HydrophobicContact CG1-CG 4.13Å; V234-F245 HydrophobicContact CG2-CB 4.18Å; V234-F245 HydrophobicContact CG2-CD2 4.04Å; V234-F245 HydrophobicContact CG2-CG 4.17Å; V234-W250 HydrophobicContact CB-CZ2 4.13Å; V234-W250 VanDerWaalsContact CG1-CE2 3.46Å; V234-W250 HydrophobicContact CG1-CH2 4.48Å; V234-W250 HydrophobicContact CG1-CZ2 3.43Å; V234-W250 VanDerWaalsContact CG1-CZ2 3.43Å
235	C	53.5	Low	55.1	Low	13 Å²	13	40.3 Å²	40.3	9%	0.088	25%	0.25	C	S	.	.	H	α-helix	trans	-59.5	-39.6	173.5	-75.1	0	0	0	0	112.2	Y156 I157 Y231 V232 G237	Y156-C235 WeakPolarHBondContact CD1-O 3.08Å; Y156-C235 WeakPolarHBondContact CE1-O 3.3Å; I157-C235 HydrophobicContact CG1-CB 4.4Å; Y231-C235 WeakPolarHBondContact O-CB 3.36Å; Y231-C235 PolarHBondContact O-N 2.74Å; Y231-C235 PolarHBondContact O-SG 3.01Å; V232-C235 PolarHBondContact O-N 3.39Å; C235-G237 PolarHBondContact O-N 3.25Å
236	R	47	Very low	53.8	Low	62 Å²	62	41.2 Å²	41.2	23%	0.234	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.5	175	-74.4	166.2	174.6	155.5	-4.1	113.4	P149 S153 V232 D233 V234 S238	P149-R236 VanDerWaalsContact C-NH2 3.28Å; P149-R236 PolarHBondContact O-NE 3.11Å; P149-R236 PolarHBondContact O-NH2 2.98Å; S153-R236 PolarHBondContact OG-NE 3.48Å; S153-R236 PolarHBondContact OG-NH2 3.32Å; V232-R236 HydrophobicContact CG1-CG 4.32Å; V232-R236 WeakPolarHBondContact O-CB 2.84Å; V232-R236 VanDerWaalsContact O-CG 3.23Å; V232-R236 WeakPolarHBondContact O-CG 3.13Å; V232-R236 PolarHBondContact O-N 3.34Å; D233-R236 IonicContact OD1-CZ 2.81Å; D233-R236 IonicContact OD1-NH1 2.66Å; D233-R236 PolarHBondContact OD1-NH1 3.24Å; V234-R236 VanDerWaalsContact C-N 3.31Å; V234-R236 PolarHBondContact O-N 2.86Å; R236-S238 WeakPolarHBondContact CB-OG 3.25Å; R236-S238 PolarHBondContact O-N 3.44Å; R236-S238 VanDerWaalsContact O-N 3.1Å
237	G	49.8	Very low	52.6	Low	35 Å²	35	44.6 Å²	44.6	36%	0.361	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	10.5	-167	0	0	0	0	0	114	D233 V234 C235 S239	D233-G237 PolarHBondContact O-N 2.83Å; V234-G237 PolarHBondContact O-N 2.86Å; C235-G237 PolarHBondContact O-N 3.25Å; G237-S239 PolarHBondContact O-N 3.22Å
238	S	49.3	Very low	51.5	Low	83 Å²	83	51.9 Å²	51.9	58%	0.58	31%	0.314	S	S	*	.			trans	-80.9	22.8	-166.2	62.4	0	0	0	0	114.1	R236	R236-S238 WeakPolarHBondContact CB-OG 3.25Å; R236-S238 PolarHBondContact O-N 3.44Å; R236-S238 VanDerWaalsContact O-N 3.1Å
239	S	43	Very low	51	Low	26 Å²	26	51.1 Å²	51.1	18%	0.182	31%	0.307	C	S	.	.	S	Bend	trans	-147.9	153.9	-170.1	56.3	0	0	0	0	111.5	G237 F241 T242	G237-S239 PolarHBondContact O-N 3.22Å; S239-F241 PolarHBondContact O-N 2.81Å; S239-F241 WeakPolarHBondContact OG-CD2 3.46Å; S239-T242 PolarHBondContact O-N 3.12Å
240	S	50.6	Low	50.6	Low	120 Å²	120	50.2 Å²	50.2	84%	0.839	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-61.9	2.4	172.3	44.1	0	0	0	0	114.2	T242	S240-T242 VanDerWaalsContact C-N 3.27Å; S240-T242 PolarHBondContact O-N 2.81Å
241	F	45.9	Very low	49.7	Very low	15 Å²	15	53.7 Å²	53.7	7%	0.066	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-68.1	-14.9	169.2	-81.8	-72.5	0	0	0	114.7	S239 G243 Q244 F245 Y347	S239-F241 PolarHBondContact O-N 2.81Å; S239-F241 WeakPolarHBondContact OG-CD2 3.46Å; F241-G243 PolarHBondContact O-N 2.78Å; F241-Q244 PolarHBondContact O-N 3.13Å; F241-F245 HydrophobicContact CD1-CD2 4.28Å; F241-F245 PolarHBondContact O-N 3.41Å; F241-Y347 HydrophobicContact CD2-CD1 4.05Å; F241-Y347 HydrophobicContact CD2-CE1 4.07Å; F241-Y347 AromaticContact CE2-CD1 3.26Å; F241-Y347 HydrophobicContact CE2-CD1 3.26Å; F241-Y347 AromaticContact CE2-CE1 3.34Å; F241-Y347 HydrophobicContact CE2-CE1 3.34Å; F241-Y347 HydrophobicContact CE2-CG 4.09Å; F241-Y347 AromaticContact CZ-CD1 3.57Å; F241-Y347 HydrophobicContact CZ-CD1 3.57Å; F241-Y347 HydrophobicContact CZ-CE1 4.08Å; F241-Y347 AromaticContact CZ-CG 3.97Å; F241-Y347 HydrophobicContact CZ-CG 3.97Å
242	T	44.8	Very low	49	Very low	72 Å²	72	57.9 Å²	57.9	44%	0.442	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-57.6	-17.4	-177.9	48.2	0	0	0	0	114.1	S239 S240 A246	S239-T242 PolarHBondContact O-N 3.12Å; S240-T242 VanDerWaalsContact C-N 3.27Å; S240-T242 PolarHBondContact O-N 2.81Å; T242-A246 WeakPolarHBondContact O-CA 3.46Å; T242-A246 WeakPolarHBondContact O-CB 3.37Å; T242-A246 PolarHBondContact O-N 2.91Å
243	G	48.4	Very low	48.9	Very low	71 Å²	71	57.4 Å²	57.4	73%	0.732	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-74.7	-20.7	171.4	0	0	0	0	0	115.9	F241	F241-G243 PolarHBondContact O-N 2.78Å
244	Q	47.2	Very low	48.8	Very low	72 Å²	72	57.2 Å²	57.2	34%	0.336	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-29.2	-178.5	-69.4	179.6	6.2	0	0	113.2	F241 G348 S349	F241-Q244 PolarHBondContact O-N 3.13Å; Q244-G348 PolarHBondContact NE2-O 3.14Å; Q244-G348 PolarHBondContact OE1-O 2.94Å; Q244-S349 PolarHBondContact OE1-O 3.03Å
245	F	49.6	Very low	48.7	Very low	7 Å²	7	57.5 Å²	57.5	3%	0.031	34%	0.34	C	S	.	.	S	Bend	trans	-110.9	49.3	167.8	-76.6	-69.8	0	0	0	110	L226 V234 F241 Y249 W250 C344 P351	L226-F245 HydrophobicContact CD1-CZ 4.44Å; V234-F245 HydrophobicContact CG1-CB 3.61Å; V234-F245 HydrophobicContact CG1-CG 4.13Å; V234-F245 HydrophobicContact CG2-CB 4.18Å; V234-F245 HydrophobicContact CG2-CD2 4.04Å; V234-F245 HydrophobicContact CG2-CG 4.17Å; F241-F245 HydrophobicContact CD1-CD2 4.28Å; F241-F245 PolarHBondContact O-N 3.41Å; F245-Y249 AromaticContact CD1-CD1 3.77Å; F245-Y249 HydrophobicContact CD1-CD1 3.77Å; F245-Y249 HydrophobicContact CD1-CE1 4.02Å; F245-Y249 HydrophobicContact CD1-CG 4.47Å; F245-Y249 HydrophobicContact CE1-CD1 4.15Å; F245-Y249 AromaticContact CE1-CE1 3.9Å; F245-Y249 HydrophobicContact CE1-CE1 3.9Å; F245-W250 AromaticContact CD1-CE2 3.83Å; F245-W250 AromaticContact CD1-CZ2 3.75Å; F245-W250 HydrophobicContact CD1-CZ2 3.75Å; F245-W250 AromaticContact CD1-NE1 3.5Å; F245-W250 HydrophobicContact CE1-CZ2 4.09Å; F245-W250 HydrophobicContact CG-CZ2 4.44Å; F245-W250 AromaticContact CG-NE1 3.94Å; F245-C344 VanDerWaalsContact CE2-SG 3.53Å; F245-C344 HydrophobicContact CZ-CB 4.16Å; F245-P351 HydrophobicContact CE1-CB 4.29Å; F245-P351 HydrophobicContact CE1-CG 4.14Å; F245-P351 HydrophobicContact CE2-CB 4.34Å; F245-P351 HydrophobicContact CE2-CG 4.31Å; F245-P351 HydrophobicContact CZ-CB 3.72Å; F245-P351 HydrophobicContact CZ-CG 3.87Å
246	A	50.3	Low	48.6	Very low	19 Å²	19	59.8 Å²	59.8	16%	0.157	35%	0.354	C	S	.	.			trans	-52.8	152.1	174.8	0	0	0	0	0	110.6	T242 E248 Y249	T242-A246 WeakPolarHBondContact O-CA 3.46Å; T242-A246 WeakPolarHBondContact O-CB 3.37Å; T242-A246 PolarHBondContact O-N 2.91Å; A246-E248 PolarHBondContact O-N 3.02Å; A246-Y249 WeakPolarHBondContact O-CA 3.45Å; A246-Y249 VanDerWaalsContact O-CB 3.3Å; A246-Y249 WeakPolarHBondContact O-CB 3.46Å; A246-Y249 PolarHBondContact O-N 3.17Å
247	P	45.9	Very low	48.9	Very low	73 Å²	73	58.7 Å²	58.7	47%	0.474	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-50.5	-30.1	175.1	-29.7	37	0	0	0	114	W250	P247-W250 CarbonylContact O-C 3.55Å; P247-W250 PolarHBondContact O-N 2.63Å
248	E	45.5	Very low	48.7	Very low	154 Å²	154	60.1 Å²	60.1	72%	0.72	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-65.9	-28.3	173.5	-63.3	127.6	-150.2	0	0	114.1	A246 W250	A246-E248 PolarHBondContact O-N 3.02Å; E248-W250 PolarHBondContact O-N 3.08Å
249	Y	49	Very low	48.9	Very low	49 Å²	49	56.4 Å²	56.4	19%	0.192	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-69.2	-23.5	173.8	-168.6	-89.7	0	0	0	111.9	F245 A246 V254 R313	F245-Y249 AromaticContact CD1-CD1 3.77Å; F245-Y249 HydrophobicContact CD1-CD1 3.77Å; F245-Y249 HydrophobicContact CD1-CE1 4.02Å; F245-Y249 HydrophobicContact CD1-CG 4.47Å; F245-Y249 HydrophobicContact CE1-CD1 4.15Å; F245-Y249 AromaticContact CE1-CE1 3.9Å; F245-Y249 HydrophobicContact CE1-CE1 3.9Å; A246-Y249 WeakPolarHBondContact O-CA 3.45Å; A246-Y249 VanDerWaalsContact O-CB 3.3Å; A246-Y249 WeakPolarHBondContact O-CB 3.46Å; A246-Y249 PolarHBondContact O-N 3.17Å; Y249-V254 WeakPolarHBondContact O-CG2 3.41Å; Y249-R313 PolarHBondContact O-NH1 3.33Å; Y249-R313 VanDerWaalsContact O-NH1 3.12Å
250	W	49.8	Very low	49.3	Very low	36 Å²	36	60.4 Å²	60.4	14%	0.136	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-108.7	34.7	-177	-60.9	88.1	0	0	0	112.4	L226 Y231 V234 F245 P247 E248 V256 L315	L226-W250 HydrophobicContact CD2-CH2 3.87Å; L226-W250 HydrophobicContact CD2-CZ2 4.19Å; Y231-W250 AromaticContact CD2-CH2 3.72Å; Y231-W250 HydrophobicContact CD2-CH2 3.72Å; Y231-W250 AromaticContact CD2-CZ3 3.8Å; Y231-W250 HydrophobicContact CD2-CZ3 3.8Å; Y231-W250 HydrophobicContact CE2-CE3 4.49Å; Y231-W250 AromaticContact CE2-CH2 4Å; Y231-W250 HydrophobicContact CE2-CH2 4Å; Y231-W250 AromaticContact CE2-CZ3 3.57Å; Y231-W250 HydrophobicContact CE2-CZ3 3.57Å; V234-W250 HydrophobicContact CB-CZ2 4.13Å; V234-W250 VanDerWaalsContact CG1-CE2 3.46Å; V234-W250 HydrophobicContact CG1-CH2 4.48Å; V234-W250 HydrophobicContact CG1-CZ2 3.43Å; V234-W250 VanDerWaalsContact CG1-CZ2 3.43Å; F245-W250 AromaticContact CD1-CE2 3.83Å; F245-W250 AromaticContact CD1-CZ2 3.75Å; F245-W250 HydrophobicContact CD1-CZ2 3.75Å; F245-W250 AromaticContact CD1-NE1 3.5Å; F245-W250 HydrophobicContact CE1-CZ2 4.09Å; F245-W250 HydrophobicContact CG-CZ2 4.44Å; F245-W250 AromaticContact CG-NE1 3.94Å; P247-W250 CarbonylContact O-C 3.55Å; P247-W250 PolarHBondContact O-N 2.63Å; E248-W250 PolarHBondContact O-N 3.08Å; W250-V256 HydrophobicContact CZ3-CG2 4.4Å; W250-L315 HydrophobicContact CH2-CD2 3.28Å; W250-L315 HydrophobicContact CH2-CG 4.49Å; W250-L315 HydrophobicContact CZ2-CD2 4.43Å; W250-L315 HydrophobicContact CZ3-CD2 3.46Å; W250-L315 VanDerWaalsContact CZ3-CD2 3.46Å
251	D	47.5	Very low	49.8	Very low	85 Å²	85	59.1 Å²	59.1	46%	0.455	32%	0.316	S	S	.	.	S	Bend	trans	-75.1	-169.3	176.4	76.1	-3.4	0	0	0	111.9	S253 V254	D251-S253 PolarHBondContact O-N 3.35Å; D251-S253 WeakPolarHBondContact OD1-CB 3.36Å; D251-S253 PolarHBondContact OD1-N 2.89Å; D251-S253 PolarHBondContact OD1-OG 2.52Å; D251-V254 PolarHBondContact O-N 2.76Å
252	K	44.5	Very low	50.1	Low	150 Å²	150	61.6 Å²	61.6	65%	0.652	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-5.3	-179	-60.8	-171.7	176.2	-167.3	0	114	N167	N167-K252 PolarHBondContact OD1-NZ 3.28Å
253	S	51.3	Low	50.5	Low	17 Å²	17	61.2 Å²	61.2	12%	0.119	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-1	177.5	75.5	0	0	0	0	114.6	D251 P311 E312 R313	D251-S253 PolarHBondContact O-N 3.35Å; D251-S253 WeakPolarHBondContact OD1-CB 3.36Å; D251-S253 PolarHBondContact OD1-N 2.89Å; D251-S253 PolarHBondContact OD1-OG 2.52Å; S253-P311 CarbonylContact O-C 3.53Å; S253-P311 WeakPolarHBondContact O-CA 3.22Å; S253-P311 WeakPolarHBondContact O-CB 3.47Å; S253-E312 PolarHBondContact O-N 3.28Å; S253-R313 PolarHBondContact O-N 3.45Å
254	V	54.4	Low	50.5	Low	26 Å²	26	64.2 Å²	64.2	16%	0.158	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.6	-177.3	-169.1	0	0	0	0	112.7	Y249 D251 V256 R313 L315	Y249-V254 WeakPolarHBondContact O-CG2 3.41Å; D251-V254 PolarHBondContact O-N 2.76Å; V254-V256 HydrophobicContact CG1-CG2 4.39Å; V254-R313 WeakPolarHBondContact CA-O 3.44Å; V254-R313 HydrophobicContact CG1-CB 4.36Å; V254-R313 HydrophobicContact CG2-CB 4.21Å; V254-L315 HydrophobicContact CG1-CB 4.36Å
255	A	54.8	Low	50.5	Low	23 Å²	23	61.5 Å²	61.5	19%	0.19	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	118.5	168.6	0	0	0	0	0	111	L276 P311 R313 V314 L315	A255-L276 HydrophobicContact CB-CD1 4.27Å; A255-P311 HydrophobicContact CB-CB 3.98Å; A255-P311 HydrophobicContact CB-CG 3.95Å; A255-R313 PolarHBondContact N-O 2.88Å; A255-V314 HydrophobicContact CB-CG2 4.38Å; A255-V314 CarbonylContact O-C 3.55Å; A255-V314 WeakPolarHBondContact O-CA 3.45Å; A255-L315 PolarHBondContact O-N 2.83Å
256	V	52.3	Low	50.4	Low	61 Å²	61	61.8 Å²	61.8	37%	0.37	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.5	178.2	-176.2	0	0	0	0	110.1	Y231 W250 V254 V317	Y231-V256 HydrophobicContact CE2-CG1 3.9Å; Y231-V256 HydrophobicContact CE2-CG2 4.37Å; W250-V256 HydrophobicContact CZ3-CG2 4.4Å; V254-V256 HydrophobicContact CG1-CG2 4.39Å; V256-V317 HydrophobicContact CG1-CG2 3.62Å
257	I	52.9	Low	50.5	Low	39 Å²	39	66.3 Å²	66.3	20%	0.2	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	110.2	-175.1	-54.3	-179.1	0	0	0	109.2	V259 T272 V314 L315 F316 V317	I257-V259 HydrophobicContact CG2-CG1 4.05Å; I257-T272 HydrophobicContact CD1-CG2 3.71Å; I257-V314 HydrophobicContact CD1-CG1 3.81Å; I257-V314 HydrophobicContact CG1-CG1 4.32Å; I257-L315 PolarHBondContact N-O 3.34Å; I257-F316 HydrophobicContact CB-CD1 3.98Å; I257-F316 HydrophobicContact CB-CE1 4.2Å; I257-F316 HydrophobicContact CD1-CE1 3.91Å; I257-F316 HydrophobicContact CD1-CZ 4.49Å; I257-F316 HydrophobicContact CG2-CD1 4.14Å; I257-F316 HydrophobicContact CG2-CE1 4.22Å; I257-F316 CarbonylContact O-C 3.49Å; I257-F316 WeakPolarHBondContact O-CA 3.43Å; I257-V317 PolarHBondContact O-N 2.96Å
258	P	46.3	Very low	50.9	Low	64 Å²	64	64.1 Å²	64.1	42%	0.416	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	133.3	173.7	29.5	-32.9	0	0	0	110.8	L319	P258-L319 HydrophobicContact CB-CD1 4.06Å; P258-L319 HydrophobicContact CB-CD2 4.07Å; P258-L319 HydrophobicContact CB-CG 4.17Å
259	V	52.3	Low	51.5	Low	6 Å²	6	56.8 Å²	56.8	4%	0.036	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	160.6	-178.9	-60.2	0	0	0	0	110.4	I257 L268 F316 V317 L318 L319 W330	I257-V259 HydrophobicContact CG2-CG1 4.05Å; V259-L268 HydrophobicContact CG1-CD2 3.45Å; V259-L268 VanDerWaalsContact CG1-CD2 3.45Å; V259-F316 HydrophobicContact CG1-CD1 3.84Å; V259-F316 HydrophobicContact CG2-CB 4.03Å; V259-V317 PolarHBondContact N-O 2.85Å; V259-V317 VanDerWaalsContact O-O 3.05Å; V259-L318 HydrophobicContact CG2-CD2 3.54Å; V259-L318 WeakPolarHBondContact O-CA 3.32Å; V259-L319 PolarHBondContact O-N 2.85Å; V259-W330 HydrophobicContact CB-CH2 4.07Å; V259-W330 HydrophobicContact CB-CZ2 4.27Å; V259-W330 HydrophobicContact CG1-CH2 4.1Å; V259-W330 HydrophobicContact CG2-CH2 3.78Å; V259-W330 HydrophobicContact CG2-CZ2 3.98Å; V259-W330 HydrophobicContact CG2-CZ3 4.16Å
260	R	52.4	Low	51.5	Low	109 Å²	109	54.5 Å²	54.5	41%	0.411	27%	0.274	S	S	.	.			trans	-94.1	137.1	164.2	-64.8	-177.9	176.4	-176.3	-1.8	109.5	S262 D263 D320	R260-S262 WeakPolarHBondContact CB-OG 3.48Å; R260-S262 PolarHBondContact O-N 2.77Å; R260-D263 WeakPolarHBondContact CB-OD2 3.4Å; R260-D263 PolarHBondContact N-OD2 2.8Å; R260-D263 VanDerWaalsContact O-CB 3.26Å; R260-D263 WeakPolarHBondContact O-CB 3.18Å; R260-D263 PolarHBondContact O-N 2.89Å; R260-D320 WeakPolarHBondContact CA-OD1 3.28Å
261	R	60.4	Low	51.5	Low	93 Å²	93	58.1 Å²	58.1	35%	0.351	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-35.7	167.2	-179.9	-177.5	169.9	-171.7	-4.5	110.8	D263 D320 A321 D325 L327 W330	R261-D263 VanDerWaalsContact C-N 3.29Å; R261-D263 PolarHBondContact O-N 3.49Å; R261-D320 WeakPolarHBondContact CA-OD1 3.24Å; R261-D320 WeakPolarHBondContact CB-OD1 3.26Å; R261-D320 PolarHBondContact N-OD1 2.94Å; R261-D320 PolarHBondContact N-OD2 3.08Å; R261-A321 HydrophobicContact CB-CB 4.32Å; R261-D325 IonicContact NH1-OD1 3.65Å; R261-D325 PolarHBondContact NH1-OD1 3.31Å; R261-D325 IonicContact NH1-OD2 3.6Å; R261-D325 PolarHBondContact NH1-OD2 3.49Å; R261-L327 HydrophobicContact CG-CD2 4.39Å; R261-W330 PolarHBondContact O-NE1 3.29Å
262	S	53.1	Low	51.7	Low	68 Å²	68	54.3 Å²	54.3	48%	0.476	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.6	176	49.6	0	0	0	0	115.4	R260 Q264 D320	R260-S262 WeakPolarHBondContact CB-OG 3.48Å; R260-S262 PolarHBondContact O-N 2.77Å; S262-Q264 PolarHBondContact O-N 3.16Å; S262-D320 PolarHBondContact N-OD2 3.22Å; S262-D320 PolarHBondContact OG-OD2 2.84Å
263	D	53.7	Low	52.2	Low	64 Å²	64	47.5 Å²	47.5	34%	0.342	24%	0.239	S	C	.	.			trans	-68.6	103.2	177.6	-72.4	-37.3	0	0	0	111.4	R260 R261 G265	R260-D263 WeakPolarHBondContact CB-OD2 3.4Å; R260-D263 PolarHBondContact N-OD2 2.8Å; R260-D263 VanDerWaalsContact O-CB 3.26Å; R260-D263 WeakPolarHBondContact O-CB 3.18Å; R260-D263 PolarHBondContact O-N 2.89Å; R261-D263 VanDerWaalsContact C-N 3.29Å; R261-D263 PolarHBondContact O-N 3.49Å; D263-G265 PolarHBondContact O-N 3.3Å
264	Q	46.9	Very low	52.1	Low	133 Å²	133	47.7 Å²	47.7	62%	0.621	24%	0.241	S	C	*	.			trans	-66.8	7.7	170.4	-59.7	-175.9	-0.3	0	0	113.5	S262 S266	S262-Q264 PolarHBondContact O-N 3.16Å; Q264-S266 VanDerWaalsContact C-N 3.34Å; Q264-S266 PolarHBondContact O-N 3.36Å
265	G	48	Very low	51.9	Low	15 Å²	15	49.7 Å²	49.7	16%	0.155	25%	0.249	C	C	.	.			trans	-75.1	74.6	-172	0	0	0	0	0	113.4	D263 W267 L268	D263-G265 PolarHBondContact O-N 3.3Å; G265-W267 PolarHBondContact O-N 3.12Å; G265-L268 PolarHBondContact O-N 3.01Å
266	S	48.2	Very low	51.7	Low	13 Å²	13	50.1 Å²	50.1	9%	0.091	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-23.5	174.2	74.3	0	0	0	0	113.3	Q264 L268 P270 W363	Q264-S266 VanDerWaalsContact C-N 3.34Å; Q264-S266 PolarHBondContact O-N 3.36Å; S266-L268 VanDerWaalsContact C-N 3.26Å; S266-L268 PolarHBondContact O-N 3.34Å; S266-P270 WeakPolarHBondContact O-CD 3.11Å; S266-W363 PolarHBondContact O-NE1 2.85Å; S266-W363 VanDerWaalsContact O-NE1 3.13Å; S266-W363 PolarHBondContact OG-NE1 3.01Å; S266-W363 VanDerWaalsContact OG-NE1 3.11Å
267	W	50.9	Low	51.6	Low	114 Å²	114	48.3 Å²	48.3	43%	0.432	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.2	176.7	68.6	-94.6	0	0	0	114.7	G265 I269 P270 Y271	G265-W267 PolarHBondContact O-N 3.12Å; W267-I269 VanDerWaalsContact C-N 3.31Å; W267-I269 PolarHBondContact O-N 3.09Å; W267-P270 VanDerWaalsContact O-CD 3.27Å; W267-P270 WeakPolarHBondContact O-CD 3.42Å; W267-P270 VanDerWaalsContact O-CG 3.27Å; W267-P270 WeakPolarHBondContact O-CG 3.16Å; W267-Y271 HydrophobicContact CZ3-CG 4.33Å; W267-Y271 WeakPolarHBondContact O-CB 3.43Å; W267-Y271 PolarHBondContact O-N 3.23Å; W267-Y271 VanDerWaalsContact O-N 3.15Å
268	L	54.5	Low	51.2	Low	27 Å²	27	47 Å²	47	14%	0.141	23%	0.231	C	C	.	.	H	α-helix	trans	-63.6	-40.6	177.8	-173.4	70	0	0	0	111	V259 G265 S266 Y271 T272 F316 W330	V259-L268 HydrophobicContact CG1-CD2 3.45Å; V259-L268 VanDerWaalsContact CG1-CD2 3.45Å; G265-L268 PolarHBondContact O-N 3.01Å; S266-L268 VanDerWaalsContact C-N 3.26Å; S266-L268 PolarHBondContact O-N 3.34Å; L268-Y271 PolarHBondContact O-N 3.26Å; L268-T272 WeakPolarHBondContact O-CB 3.38Å; L268-T272 PolarHBondContact O-N 2.81Å; L268-T272 PolarHBondContact O-OG1 3.07Å; L268-F316 HydrophobicContact CD2-CD1 3.97Å; L268-F316 HydrophobicContact CD2-CE1 3.6Å; L268-F316 HydrophobicContact CG-CE1 4.15Å; L268-W330 HydrophobicContact CD2-CH2 4.06Å
269	I	58.1	Low	50.8	Low	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58	-55.3	179.1	-63.2	-51	0	0	0	112.8	W267 Y271 T272 F273 F316 P332 L339 V341 L359	W267-I269 VanDerWaalsContact C-N 3.31Å; W267-I269 PolarHBondContact O-N 3.09Å; I269-Y271 VanDerWaalsContact C-N 3.31Å; I269-Y271 PolarHBondContact O-N 2.79Å; I269-T272 PolarHBondContact O-N 3.42Å; I269-F273 WeakPolarHBondContact O-CB 3.16Å; I269-F273 PolarHBondContact O-N 3.17Å; I269-F316 HydrophobicContact CD1-CE2 4.27Å; I269-F316 HydrophobicContact CD1-CZ 4.1Å; I269-P332 HydrophobicContact CD1-CG 4.35Å; I269-P332 HydrophobicContact CG1-CG 4.12Å; I269-L339 HydrophobicContact CG1-CD1 4.34Å; I269-V341 HydrophobicContact CD1-CG2 4.31Å; I269-L359 HydrophobicContact CD1-CD1 4.14Å; I269-L359 HydrophobicContact CG2-CB 3.55Å
270	P	49.8	Very low	50.1	Low	1 Å²	1	51.1 Å²	51.1	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-65.9	-30.4	176.1	25.2	-34.6	0	0	0	113.6	S266 W267 A274 F360 W363 M396	S266-P270 WeakPolarHBondContact O-CD 3.11Å; W267-P270 VanDerWaalsContact O-CD 3.27Å; W267-P270 WeakPolarHBondContact O-CD 3.42Å; W267-P270 VanDerWaalsContact O-CG 3.27Å; W267-P270 WeakPolarHBondContact O-CG 3.16Å; P270-A274 VanDerWaalsContact O-CB 3.25Å; P270-A274 WeakPolarHBondContact O-CB 3.21Å; P270-A274 PolarHBondContact O-N 2.82Å; P270-F360 HydrophobicContact CB-CD2 3.68Å; P270-F360 HydrophobicContact CB-CE2 3.74Å; P270-W363 HydrophobicContact CB-CD2 4.38Å; P270-W363 HydrophobicContact CB-CE3 4.14Å; P270-W363 HydrophobicContact CB-CZ3 4.24Å; P270-W363 HydrophobicContact CG-CD2 3.87Å; P270-W363 HydrophobicContact CG-CE3 4.06Å; P270-W363 HydrophobicContact CG-CG 4.48Å; P270-W363 HydrophobicContact CG-CH2 4.13Å; P270-W363 HydrophobicContact CG-CZ2 3.92Å; P270-W363 HydrophobicContact CG-CZ3 4.19Å; P270-M396 HydrophobicContact CB-CG 4.34Å; P270-M396 HydrophobicContact CB-SD 3.46Å; P270-M396 WeakPolarHBondContact CB-SD 3.25Å; P270-M396 HydrophobicContact CG-SD 3.93Å
271	Y	48.9	Very low	49.3	Very low	113 Å²	113	51.4 Å²	51.4	44%	0.443	25%	0.251	S	S	.	.	H	α-helix	trans	-64.1	-51.5	173.9	179.5	-92.9	0	0	0	111.5	W267 L268 I269 F273 A274 H275	W267-Y271 HydrophobicContact CZ3-CG 4.33Å; W267-Y271 WeakPolarHBondContact O-CB 3.43Å; W267-Y271 PolarHBondContact O-N 3.23Å; W267-Y271 VanDerWaalsContact O-N 3.15Å; L268-Y271 PolarHBondContact O-N 3.26Å; I269-Y271 VanDerWaalsContact C-N 3.31Å; I269-Y271 PolarHBondContact O-N 2.79Å; Y271-F273 VanDerWaalsContact C-N 3.32Å; Y271-F273 PolarHBondContact O-N 3.37Å; Y271-A274 PolarHBondContact O-N 3.11Å; Y271-H275 AromaticContact CD2-CD2 3.89Å; Y271-H275 AromaticContact CE1-CD2 3.72Å; Y271-H275 AromaticContact CE2-CD2 3.52Å; Y271-H275 AromaticContact CE2-NE2 3.31Å; Y271-H275 VanDerWaalsContact CE2-NE2 3.31Å; Y271-H275 WeakPolarHBondContact CE2-NE2 3.39Å; Y271-H275 AromaticContact CZ-CD2 3.43Å; Y271-H275 VanDerWaalsContact CZ-CD2 3.43Å; Y271-H275 AromaticContact CZ-NE2 3.33Å; Y271-H275 VanDerWaalsContact CZ-NE2 3.33Å; Y271-H275 PolarHBondContact O-CD2 3.27Å; Y271-H275 PolarHBondContact O-N 3.27Å; Y271-H275 PolarHBondContact OH-NE2 3.33Å
272	T	53	Low	48.1	Very low	5 Å²	5	47.7 Å²	47.7	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-61.8	-40.2	176.3	-55.1	0	0	0	0	111.2	I257 L268 I269 L276 V314 F316 L356	I257-T272 HydrophobicContact CD1-CG2 3.71Å; L268-T272 WeakPolarHBondContact O-CB 3.38Å; L268-T272 PolarHBondContact O-N 2.81Å; L268-T272 PolarHBondContact O-OG1 3.07Å; I269-T272 PolarHBondContact O-N 3.42Å; T272-L276 HydrophobicContact CG2-CD1 3.64Å; T272-L276 HydrophobicContact CG2-CG 4.26Å; T272-L276 WeakPolarHBondContact O-CB 3.19Å; T272-L276 VanDerWaalsContact O-CG 3.29Å; T272-L276 WeakPolarHBondContact O-CG 3.25Å; T272-L276 PolarHBondContact O-N 3.43Å; T272-V314 HydrophobicContact CG2-CG1 4.14Å; T272-V314 HydrophobicContact CG2-CG2 3.94Å; T272-F316 HydrophobicContact CG2-CZ 4.29Å; T272-L356 HydrophobicContact CG2-CD1 4.24Å; T272-L356 HydrophobicContact CG2-CD2 3.93Å
273	F	53.5	Low	47.4	Very low	7 Å²	7	45.3 Å²	45.3	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-47.8	174.9	178.4	-105.4	0	0	0	112.6	I269 Y271 T277 L356 E357 F360 R403	I269-F273 WeakPolarHBondContact O-CB 3.16Å; I269-F273 PolarHBondContact O-N 3.17Å; Y271-F273 VanDerWaalsContact C-N 3.32Å; Y271-F273 PolarHBondContact O-N 3.37Å; F273-T277 HydrophobicContact CD2-CG2 3.64Å; F273-T277 HydrophobicContact CE2-CG2 3.65Å; F273-T277 WeakPolarHBondContact CE2-OG1 3.2Å; F273-T277 HydrophobicContact CG-CG2 4.49Å; F273-T277 WeakPolarHBondContact CZ-OG1 3.47Å; F273-T277 WeakPolarHBondContact O-CB 3.38Å; F273-T277 WeakPolarHBondContact O-CG2 3.47Å; F273-T277 PolarHBondContact O-N 2.85Å; F273-T277 PolarHBondContact O-OG1 3.47Å; F273-L356 HydrophobicContact CB-CD2 4.34Å; F273-L356 HydrophobicContact CB-CG 4.07Å; F273-L356 HydrophobicContact CD2-CG 4.17Å; F273-E357 HydrophobicContact CD2-CB 4.46Å; F273-E357 VanDerWaalsContact CE2-CA 3.44Å; F273-E357 HydrophobicContact CE2-CB 3.69Å; F273-E357 HydrophobicContact CE2-CG 3.7Å; F273-E357 HydrophobicContact CZ-CB 4.4Å; F273-E357 HydrophobicContact CZ-CG 3.9Å; F273-F360 HydrophobicContact CB-CB 3.97Å; F273-F360 HydrophobicContact CB-CD2 4.23Å; F273-F360 HydrophobicContact CB-CG 4.26Å; F273-F360 HydrophobicContact CD1-CB 3.72Å; F273-F360 AromaticContact CD1-CD1 3.57Å; F273-F360 HydrophobicContact CD1-CD1 3.57Å; F273-F360 AromaticContact CD1-CD2 3.54Å; F273-F360 HydrophobicContact CD1-CD2 3.54Å; F273-F360 HydrophobicContact CD1-CE1 4.02Å; F273-F360 AromaticContact CD1-CE2 3.99Å; F273-F360 HydrophobicContact CD1-CE2 3.99Å; F273-F360 AromaticContact CD1-CG 3.29Å; F273-F360 HydrophobicContact CD1-CG 3.29Å; F273-F360 HydrophobicContact CD1-CZ 4.21Å; F273-F360 HydrophobicContact CD2-CB 3.96Å; F273-F360 HydrophobicContact CD2-CG 4.43Å; F273-F360 HydrophobicContact CE1-CB 4.14Å; F273-F360 AromaticContact CE1-CD1 3.33Å; F273-F360 HydrophobicContact CE1-CD1 3.33Å; F273-F360 HydrophobicContact CE1-CD2 4.18Å; F273-F360 AromaticContact CE1-CE1 3.67Å; F273-F360 HydrophobicContact CE1-CE1 3.67Å; F273-F360 HydrophobicContact CE1-CE2 4.45Å; F273-F360 AromaticContact CE1-CG 3.6Å; F273-F360 HydrophobicContact CE1-CG 3.6Å; F273-F360 HydrophobicContact CE1-CZ 4.22Å; F273-F360 HydrophobicContact CE2-CB 4.38Å; F273-F360 HydrophobicContact CG-CB 3.59Å; F273-F360 HydrophobicContact CG-CD1 4.32Å; F273-F360 HydrophobicContact CG-CD2 4.09Å; F273-F360 AromaticContact CG-CG 3.74Å; F273-F360 HydrophobicContact CG-CG 3.74Å; F273-F360 HydrophobicContact CZ-CB 4.44Å; F273-F360 AromaticContact CZ-CD1 3.93Å; F273-F360 HydrophobicContact CZ-CD1 3.93Å; F273-F360 HydrophobicContact CZ-CG 4.29Å; F273-R403 VanDerWaalsContact CZ-NH1 3.34Å
274	A	50.4	Low	46.8	Very low	20 Å²	20	43.5 Å²	43.5	17%	0.165	21%	0.212	C	C	.	.	H	α-helix	trans	-61	-49.9	179.6	0	0	0	0	0	111	P270 Y271 S278	P270-A274 VanDerWaalsContact O-CB 3.25Å; P270-A274 WeakPolarHBondContact O-CB 3.21Å; P270-A274 PolarHBondContact O-N 2.82Å; Y271-A274 PolarHBondContact O-N 3.11Å; A274-S278 WeakPolarHBondContact O-CB 3.42Å; A274-S278 PolarHBondContact O-N 2.99Å; A274-S278 PolarHBondContact O-OG 3.28Å
275	H	48.7	Very low	46.6	Very low	69 Å²	69	39 Å²	39	32%	0.319	19%	0.194	S	C	.	.	H	α-helix	trans	-60.5	-51.6	179.8	-87.4	-84	0	0	0	112.6	Y271 S278	Y271-H275 AromaticContact CD2-CD2 3.89Å; Y271-H275 AromaticContact CE1-CD2 3.72Å; Y271-H275 AromaticContact CE2-CD2 3.52Å; Y271-H275 AromaticContact CE2-NE2 3.31Å; Y271-H275 VanDerWaalsContact CE2-NE2 3.31Å; Y271-H275 WeakPolarHBondContact CE2-NE2 3.39Å; Y271-H275 AromaticContact CZ-CD2 3.43Å; Y271-H275 VanDerWaalsContact CZ-CD2 3.43Å; Y271-H275 AromaticContact CZ-NE2 3.33Å; Y271-H275 VanDerWaalsContact CZ-NE2 3.33Å; Y271-H275 PolarHBondContact O-CD2 3.27Å; Y271-H275 PolarHBondContact O-N 3.27Å; Y271-H275 PolarHBondContact OH-NE2 3.33Å; H275-S278 PolarHBondContact O-OG 2.89Å
276	L	51.9	Low	46.1	Very low	32 Å²	32	40.2 Å²	40.2	17%	0.168	20%	0.199	C	C	.	.	H	α-helix	trans	-82.1	-21.4	-170.2	-55.4	-176.1	0	0	0	113.9	V221 A255 T272 N282 P311 V314 L356	V221-L276 HydrophobicContact CG1-CD1 4.33Å; V221-L276 HydrophobicContact CG2-CB 4.4Å; A255-L276 HydrophobicContact CB-CD1 4.27Å; T272-L276 HydrophobicContact CG2-CD1 3.64Å; T272-L276 HydrophobicContact CG2-CG 4.26Å; T272-L276 WeakPolarHBondContact O-CB 3.19Å; T272-L276 VanDerWaalsContact O-CG 3.29Å; T272-L276 WeakPolarHBondContact O-CG 3.25Å; T272-L276 PolarHBondContact O-N 3.43Å; L276-N282 PolarHBondContact O-ND2 3.23Å; L276-P311 HydrophobicContact CD1-CG 3.98Å; L276-P311 HydrophobicContact CD2-CG 3.54Å; L276-P311 HydrophobicContact CG-CG 4.19Å; L276-V314 HydrophobicContact CD1-CG2 3.24Å; L276-L356 HydrophobicContact CD1-CD2 4.36Å
277	T	48.9	Very low	45.9	Very low	22 Å²	22	41.8 Å²	41.8	14%	0.135	21%	0.208	C	C	.	.	H	α-helix	trans	-109.5	-3.4	-179.9	76.3	0	0	0	0	114.5	V221 F273 N282 R403	V221-T277 HydrophobicContact CG2-CG2 3.94Å; F273-T277 HydrophobicContact CD2-CG2 3.64Å; F273-T277 HydrophobicContact CE2-CG2 3.65Å; F273-T277 WeakPolarHBondContact CE2-OG1 3.2Å; F273-T277 HydrophobicContact CG-CG2 4.49Å; F273-T277 WeakPolarHBondContact CZ-OG1 3.47Å; F273-T277 WeakPolarHBondContact O-CB 3.38Å; F273-T277 WeakPolarHBondContact O-CG2 3.47Å; F273-T277 PolarHBondContact O-N 2.85Å; F273-T277 PolarHBondContact O-OG1 3.47Å; T277-N282 VanDerWaalsContact C-ND2 3.31Å; T277-N282 WeakPolarHBondContact CA-ND2 3.11Å; T277-N282 PolarHBondContact O-ND2 3.32Å; T277-R403 PolarHBondContact O-NH2 3.03Å; T277-R403 PolarHBondContact OG1-NH2 3.36Å
278	S	46.2	Very low	45.5	Very low	12 Å²	12	37.7 Å²	37.7	8%	0.084	19%	0.194	C	C	.	.			trans	-55.8	144.9	179.8	62.6	0	0	0	0	112.4	A274 H275 I280 F281 N282 E399	A274-S278 WeakPolarHBondContact O-CB 3.42Å; A274-S278 PolarHBondContact O-N 2.99Å; A274-S278 PolarHBondContact O-OG 3.28Å; H275-S278 PolarHBondContact O-OG 2.89Å; S278-I280 PolarHBondContact O-N 2.76Å; S278-F281 PolarHBondContact O-N 3.5Å; S278-N282 WeakPolarHBondContact O-CB 3.26Å; S278-N282 PolarHBondContact O-N 3.17Å; S278-N282 VanDerWaalsContact O-N 3.07Å; S278-N282 PolarHBondContact O-ND2 3.12Å; S278-E399 WeakPolarHBondContact CA-OE1 3.46Å
279	K	38.2	Very low	45.1	Very low	44 Å²	44	36.4 Å²	36.4	19%	0.191	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.4	176.2	-72.4	175.9	168.2	-173.8	0	113.5	N282 A283 Q284 T402	K279-N282 CarbonylContact O-C 3.56Å; K279-A283 PolarHBondContact O-N 2.94Å; K279-A283 VanDerWaalsContact O-N 3.1Å; K279-Q284 HydrophobicContact CB-CB 4.08Å; K279-Q284 WeakPolarHBondContact CD-O 3.5Å; K279-Q284 HydrophobicContact CG-CB 3.95Å; K279-Q284 PolarHBondContact O-N 3.38Å; K279-T402 PolarHBondContact NZ-O 3.07Å
280	I	36.4	Very low	44.4	Very low	113 Å²	113	36.8 Å²	36.8	58%	0.579	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-49.6	-179.6	-61.9	175	0	0	0	110	S278 A303	S278-I280 PolarHBondContact O-N 2.76Å; I280-A303 HydrophobicContact CG2-CB 4.44Å
281	F	36.1	Very low	44.2	Very low	114 Å²	114	38.7 Å²	38.7	50%	0.5	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-34.1	172.8	-80.3	-82.3	0	0	0	112.2	S278 A283	S278-F281 PolarHBondContact O-N 3.5Å; F281-A283 VanDerWaalsContact C-N 3.32Å; F281-A283 PolarHBondContact O-N 3.47Å
282	N	35.6	Very low	44.1	Very low	15 Å²	15	38.9 Å²	38.9	8%	0.08	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	20.9	-177.9	-67	-65.9	0	0	0	114.9	Y219 L276 T277 S278 K279 Q284	Y219-N282 WeakPolarHBondContact CD2-OD1 3.36Å; L276-N282 PolarHBondContact O-ND2 3.23Å; T277-N282 VanDerWaalsContact C-ND2 3.31Å; T277-N282 WeakPolarHBondContact CA-ND2 3.11Å; T277-N282 PolarHBondContact O-ND2 3.32Å; S278-N282 WeakPolarHBondContact O-CB 3.26Å; S278-N282 PolarHBondContact O-N 3.17Å; S278-N282 VanDerWaalsContact O-N 3.07Å; S278-N282 PolarHBondContact O-ND2 3.12Å; K279-N282 CarbonylContact O-C 3.56Å; N282-Q284 WeakPolarHBondContact O-CG 3.39Å; N282-Q284 PolarHBondContact O-N 2.81Å; N282-Q284 PolarHBondContact O-NE2 3.32Å
283	A	38.2	Very low	45	Very low	19 Å²	19	42.4 Å²	42.4	16%	0.157	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	23.1	172.1	0	0	0	0	0	116.4	K279 F281 S304 V307	K279-A283 PolarHBondContact O-N 2.94Å; K279-A283 VanDerWaalsContact O-N 3.1Å; F281-A283 VanDerWaalsContact C-N 3.32Å; F281-A283 PolarHBondContact O-N 3.47Å; A283-S304 VanDerWaalsContact O-CB 3.27Å; A283-S304 WeakPolarHBondContact O-CB 3.24Å; A283-V307 HydrophobicContact CB-CG2 4.09Å
284	Q	39.8	Very low	45.5	Very low	26 Å²	26	54.4 Å²	54.4	12%	0.121	28%	0.283	C	S	.	.			trans	-108.6	41.1	-167.3	-86.2	169.3	58.7	0	0	114.2	C213 H217 K279 N282	C213-Q284 PolarHBondContact SG-O 3.22Å; H217-Q284 PolarHBondContact O-NE2 2.85Å; K279-Q284 HydrophobicContact CB-CB 4.08Å; K279-Q284 WeakPolarHBondContact CD-O 3.5Å; K279-Q284 HydrophobicContact CG-CB 3.95Å; K279-Q284 PolarHBondContact O-N 3.38Å; N282-Q284 WeakPolarHBondContact O-CG 3.39Å; N282-Q284 PolarHBondContact O-N 2.81Å; N282-Q284 PolarHBondContact O-NE2 3.32Å
285	T	42.7	Very low	45.1	Very low	39 Å²	39	57.5 Å²	57.5	24%	0.239	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-81.1	136.2	171.6	31.3	0	0	0	0	111.6	P301	T285-P301 HydrophobicContact CG2-CB 4.25Å; T285-P301 HydrophobicContact CG2-CG 4.05Å
286	P	39.1	Very low	45	Very low	40 Å²	40	61 Å²	61	26%	0.26	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-67.7	147	171	28.4	-33	0	0	0	110.9	F210 C213 L288	F210-P286 HydrophobicContact CD1-CG 4.45Å; C213-P286 HydrophobicContact CB-CB 4.12Å; P286-L288 PolarHBondContact O-N 3.26Å
287	V	44.3	Very low	44.4	Very low	46 Å²	46	63.2 Å²	63.2	28%	0.279	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-69.4	127.1	168.1	-175.7	0	0	0	0	108.8	G211 D298 V300	G211-V287 PolarHBondContact N-O 3Å; V287-D298 HydrophobicContact CG1-CB 3.84Å; V287-V300 HydrophobicContact CB-CG2 4.46Å; V287-V300 HydrophobicContact CG1-CG2 3.91Å; V287-V300 HydrophobicContact CG2-CG2 3.92Å
288	L	41.9	Very low	44	Very low	28 Å²	28	65.9 Å²	65.9	15%	0.147	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.8	171.8	175.3	64.6	0	0	0	108.7	Y197 F208 F210 P286 A299	Y197-L288 HydrophobicContact CD2-CD2 4.5Å; F208-L288 HydrophobicContact CD1-CD1 4.22Å; F210-L288 HydrophobicContact CD1-CD1 4Å; F210-L288 HydrophobicContact CE1-CD1 3.64Å; F210-L288 HydrophobicContact CE2-CD1 4.27Å; F210-L288 HydrophobicContact CG-CD1 4.47Å; F210-L288 HydrophobicContact CZ-CD1 3.79Å; P286-L288 PolarHBondContact O-N 3.26Å; L288-A299 HydrophobicContact CB-CB 4.36Å; L288-A299 PolarHBondContact N-O 3.14Å; L288-A299 PolarHBondContact O-N 3Å
289	S	45.7	Very low	43.6	Very low	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	114.1	-172.6	-67.8	0	0	0	0	111	F208 S209 R296 L297 D298	F208-S289 CarbonylContact C-O 3.52Å; S209-S289 PolarHBondContact N-O 3.16Å; S209-S289 WeakPolarHBondContact O-CB 3.35Å; S209-S289 PolarHBondContact O-N 3.03Å; S209-S289 WeakPolarHBondContact OG-CB 3.48Å; S209-S289 PolarHBondContact OG-O 2.76Å; S289-R296 PolarHBondContact OG-NH2 3.38Å; S289-L297 CarbonylContact C-O 3.49Å; S289-L297 WeakPolarHBondContact CA-O 3.45Å; S289-D298 WeakPolarHBondContact CB-OD1 3.38Å; S289-D298 PolarHBondContact OG-OD1 3.13Å
290	V	43.1	Very low	43.4	Very low	7 Å²	7	68.6 Å²	68.6	4%	0.042	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120.6	177.5	-160.8	0	0	0	0	109.2	F203 F208 R296 L297	F203-V290 HydrophobicContact CB-CG1 4.04Å; F203-V290 HydrophobicContact CD1-CB 4.2Å; F203-V290 HydrophobicContact CD1-CG1 4.05Å; F203-V290 HydrophobicContact CG-CG1 4.41Å; F208-V290 HydrophobicContact CD1-CB 4.3Å; F208-V290 HydrophobicContact CD1-CG1 4.02Å; F208-V290 HydrophobicContact CD1-CG2 3.59Å; F208-V290 HydrophobicContact CD2-CG1 4.33Å; F208-V290 HydrophobicContact CE1-CB 4.18Å; F208-V290 HydrophobicContact CE1-CG1 3.71Å; F208-V290 HydrophobicContact CE1-CG2 3.41Å; F208-V290 VanDerWaalsContact CE1-CG2 3.41Å; F208-V290 HydrophobicContact CE2-CG1 4.02Å; F208-V290 HydrophobicContact CG-CG1 4.31Å; F208-V290 HydrophobicContact CZ-CG1 3.7Å; F208-V290 HydrophobicContact CZ-CG2 4.23Å; V290-R296 CarbonylContact O-C 3.59Å; V290-R296 WeakPolarHBondContact O-CA 3.31Å; V290-L297 PolarHBondContact N-O 3.05Å; V290-L297 PolarHBondContact O-N 3.02Å
291	T	45.9	Very low	43.4	Very low	41 Å²	41	65.3 Å²	65.3	25%	0.252	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.7	-176.5	-51	0	0	0	0	111	G206 T207 T295 R296	G206-T291 CarbonylContact C-O 3.28Å; G206-T291 WeakPolarHBondContact CA-O 3.48Å; T207-T291 PolarHBondContact N-O 2.81Å; T207-T291 PolarHBondContact O-N 2.63Å; T207-T291 PolarHBondContact OG1-O 2.8Å; T291-T295 CarbonylContact C-O 3.45Å; T291-T295 WeakPolarHBondContact CA-O 3.4Å; T291-R296 HydrophobicContact CG2-CB 4.29Å
292	R	46	Very low	43	Very low	118 Å²	118	63 Å²	63	45%	0.445	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	116	173	-165.8	-173.8	-175.9	-178.5	4.9	109.5	E202 F203 V204 R294 T295	E202-R292 WeakPolarHBondContact O-CD 3.25Å; E202-R292 PolarHBondContact O-NH1 3.06Å; F203-R292 HydrophobicContact CD1-CB 4.43Å; V204-R292 PolarHBondContact O-NE 3.43Å; V204-R292 PolarHBondContact O-NH1 3.02Å; V204-R292 PolarHBondContact O-NH2 3.02Å; R292-R294 PolarHBondContact O-N 3.44Å; R292-R294 VanDerWaalsContact O-N 3.15Å; R292-T295 PolarHBondContact N-O 2.95Å; R292-T295 PolarHBondContact O-N 3.26Å
293	G	72.6	Confident	42.8	Very low	78 Å²	78	63.7 Å²	63.7	80%	0.804	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	-114.5	-175.5	0	0	0	0	0	111.8
294	R	63.1	Low	42.2	Very low	260 Å²	260	64 Å²	64	98%	0.981	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-6.8	174.6	-65.8	-175.7	-179.8	177.5	0.9	113.6	R292	R292-R294 PolarHBondContact O-N 3.44Å; R292-R294 VanDerWaalsContact O-N 3.15Å
295	T	43.4	Very low	41.6	Very low	84 Å²	84	68.8 Å²	68.8	52%	0.515	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	128.4	-174.2	-43.5	0	0	0	0	109.6	F203 T291 R292	F203-T295 HydrophobicContact CE1-CG2 4.06Å; F203-T295 HydrophobicContact CZ-CG2 3.74Å; T291-T295 CarbonylContact C-O 3.45Å; T291-T295 WeakPolarHBondContact CA-O 3.4Å; R292-T295 PolarHBondContact N-O 2.95Å; R292-T295 PolarHBondContact O-N 3.26Å
296	R	46.9	Very low	41	Very low	142 Å²	142	68.6 Å²	68.6	54%	0.536	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129	177.7	176.2	174.3	168.9	168	1.2	110.1	S289 V290 T291 D298	S289-R296 PolarHBondContact OG-NH2 3.38Å; V290-R296 CarbonylContact O-C 3.59Å; V290-R296 WeakPolarHBondContact O-CA 3.31Å; T291-R296 HydrophobicContact CG2-CB 4.29Å; R296-D298 IonicContact CZ-OD1 2.75Å; R296-D298 IonicContact CZ-OD2 2.8Å; R296-D298 IonicContact NE-OD1 3.62Å; R296-D298 PolarHBondContact NE-OD1 3.22Å; R296-D298 IonicContact NE-OD2 3.03Å; R296-D298 PolarHBondContact NE-OD2 3.36Å; R296-D298 IonicContact NH2-OD1 3.09Å; R296-D298 PolarHBondContact NH2-OD1 2.9Å; R296-D298 IonicContact NH2-OD2 2.77Å
297	L	38.2	Very low	40.6	Very low	79 Å²	79	71.3 Å²	71.3	41%	0.414	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	118.6	173.8	-174.8	77.4	0	0	0	109.1	F203 S289 V290	F203-L297 HydrophobicContact CD1-CB 4.36Å; F203-L297 HydrophobicContact CE1-CB 3.76Å; F203-L297 HydrophobicContact CE2-CB 4.2Å; F203-L297 HydrophobicContact CE2-CD2 4.45Å; F203-L297 HydrophobicContact CZ-CB 3.68Å; S289-L297 CarbonylContact C-O 3.49Å; S289-L297 WeakPolarHBondContact CA-O 3.45Å; V290-L297 PolarHBondContact N-O 3.05Å; V290-L297 PolarHBondContact O-N 3.02Å
298	D	40.1	Very low	40.2	Very low	79 Å²	79	72 Å²	72	42%	0.422	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	104.3	176.6	-75.7	-13.2	0	0	0	110.1	V287 S289 R296	V287-D298 HydrophobicContact CG1-CB 3.84Å; S289-D298 WeakPolarHBondContact CB-OD1 3.38Å; S289-D298 PolarHBondContact OG-OD1 3.13Å; R296-D298 IonicContact CZ-OD1 2.75Å; R296-D298 IonicContact CZ-OD2 2.8Å; R296-D298 IonicContact NE-OD1 3.62Å; R296-D298 PolarHBondContact NE-OD1 3.22Å; R296-D298 IonicContact NE-OD2 3.03Å; R296-D298 PolarHBondContact NE-OD2 3.36Å; R296-D298 IonicContact NH2-OD1 3.09Å; R296-D298 PolarHBondContact NH2-OD1 2.9Å; R296-D298 IonicContact NH2-OD2 2.77Å
299	A	39.4	Very low	40.1	Very low	44 Å²	44	75.2 Å²	75.2	36%	0.364	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115.9	175.9	0	0	0	0	0	110.6	L288	L288-A299 HydrophobicContact CB-CB 4.36Å; L288-A299 PolarHBondContact N-O 3.14Å; L288-A299 PolarHBondContact O-N 3Å
300	V	33.1	Very low	40.3	Very low	68 Å²	68	75.7 Å²	75.7	41%	0.412	42%	0.418	S	S	.	.			trans	-113.6	114.1	178.7	-173.8	0	0	0	0	108.2	V287 L302 S304	V287-V300 HydrophobicContact CB-CG2 4.46Å; V287-V300 HydrophobicContact CG1-CG2 3.91Å; V287-V300 HydrophobicContact CG2-CG2 3.92Å; V300-L302 PolarHBondContact O-N 3.18Å; V300-S304 VanDerWaalsContact CG1-OG 3.25Å; V300-S304 WeakPolarHBondContact CG1-OG 3.31Å
301	P	35.4	Very low	40.7	Very low	45 Å²	45	76.7 Å²	76.7	29%	0.292	43%	0.425	S	S	.	.			trans	-65.7	124.9	-179.1	-23.7	35.7	0	0	0	110.8	T285 A303 S304	T285-P301 HydrophobicContact CG2-CB 4.25Å; T285-P301 HydrophobicContact CG2-CG 4.05Å; P301-A303 PolarHBondContact O-N 2.84Å; P301-S304 WeakPolarHBondContact O-CB 3.44Å; P301-S304 PolarHBondContact O-N 2.71Å; P301-S304 PolarHBondContact O-OG 3Å
302	L	29.2	Very low	41.4	Very low	64 Å²	64	79.1 Å²	79.1	34%	0.335	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-59.2	-21.7	-170.7	-96.1	121.3	0	0	0	115.7	I180 V300 S304 L305	I180-L302 HydrophobicContact CD1-CD1 3.5Å; I180-L302 VanDerWaalsContact CD1-CD1 3.5Å; I180-L302 HydrophobicContact CD1-CD2 4.08Å; I180-L302 HydrophobicContact CD1-CG 4.45Å; I180-L302 HydrophobicContact CG2-CD1 4.42Å; V300-L302 PolarHBondContact O-N 3.18Å; L302-S304 PolarHBondContact O-N 3.07Å; L302-S304 VanDerWaalsContact O-N 3.11Å; L302-L305 HydrophobicContact CD2-CD1 3.88Å; L302-L305 HydrophobicContact CG-CD1 4.05Å; L302-L305 WeakPolarHBondContact O-CB 3.46Å; L302-L305 PolarHBondContact O-N 3.22Å
303	A	30.8	Very low	42.4	Very low	31 Å²	31	76.3 Å²	76.3	26%	0.256	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-57	-22.1	168.6	0	0	0	0	0	113	I280 P301 L305	I280-A303 HydrophobicContact CG2-CB 4.44Å; P301-A303 PolarHBondContact O-N 2.84Å; A303-L305 VanDerWaalsContact C-N 3.34Å
304	S	26.7	Very low	42.1	Very low	26 Å²	26	72.8 Å²	72.8	18%	0.182	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-76.8	-13.1	171.7	64.7	0	0	0	0	115.4	A283 V300 P301 L302	A283-S304 VanDerWaalsContact O-CB 3.27Å; A283-S304 WeakPolarHBondContact O-CB 3.24Å; V300-S304 VanDerWaalsContact CG1-OG 3.25Å; V300-S304 WeakPolarHBondContact CG1-OG 3.31Å; P301-S304 WeakPolarHBondContact O-CB 3.44Å; P301-S304 PolarHBondContact O-N 2.71Å; P301-S304 PolarHBondContact O-OG 3Å; L302-S304 PolarHBondContact O-N 3.07Å; L302-S304 VanDerWaalsContact O-N 3.11Å
305	L	26.8	Very low	42.1	Very low	126 Å²	126	60.6 Å²	60.6	66%	0.66	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-19.1	175	-62.9	175.7	0	0	0	112.3	L302 A303	L302-L305 HydrophobicContact CD2-CD1 3.88Å; L302-L305 HydrophobicContact CG-CD1 4.05Å; L302-L305 WeakPolarHBondContact O-CB 3.46Å; L302-L305 PolarHBondContact O-N 3.22Å; A303-L305 VanDerWaalsContact C-N 3.34Å
306	S	28.6	Very low	43.2	Very low	35 Å²	35	56.6 Å²	56.6	25%	0.245	32%	0.315	C	S	.	.			trans	-101.9	88	176.7	-55.9	0	0	0	0	110.1	I308	S306-I308 PolarHBondContact O-N 2.95Å
307	V	31.3	Very low	44	Very low	97 Å²	97	50.1 Å²	50.1	59%	0.588	29%	0.291	S	S	*	.			trans	-72.8	85.5	168.4	-176.5	0	0	0	0	108.5	A283 P309	A283-V307 HydrophobicContact CB-CG2 4.09Å; V307-P309 WeakPolarHBondContact O-CD 3.2Å
308	I	36	Very low	45.1	Very low	60 Å²	60	46.3 Å²	46.3	31%	0.308	27%	0.272	S	S	.	.			trans	-80.3	113.2	163.3	-57.6	178	0	0	0	105.7	S306 G310	S306-I308 PolarHBondContact O-N 2.95Å; I308-G310 PolarHBondContact O-N 3.3Å
309	P	39.8	Very low	46	Very low	95 Å²	95	46.7 Å²	46.7	62%	0.617	27%	0.273	S	S	*	.			trans	-63.7	112.5	175.6	26	-32.2	0	0	0	108.6	V307	V307-P309 WeakPolarHBondContact O-CD 3.2Å
310	G	49.7	Very low	46.9	Very low	11 Å²	11	47.7 Å²	47.7	11%	0.113	27%	0.272	C	S	.	.			trans	-61.6	156	173.2	0	0	0	0	0	111.1	I308 E312	I308-G310 PolarHBondContact O-N 3.3Å; G310-E312 PolarHBondContact O-N 3.1Å
311	P	51	Low	48.1	Very low	28 Å²	28	44.7 Å²	44.7	18%	0.182	26%	0.255	C	S	.	.			trans	-62.2	121.4	179.3	25.9	-34.4	0	0	0	110.9	V221 S253 A255 L276 R313	V221-P311 WeakPolarHBondContact CG2-O 3.05Å; S253-P311 CarbonylContact O-C 3.53Å; S253-P311 WeakPolarHBondContact O-CA 3.22Å; S253-P311 WeakPolarHBondContact O-CB 3.47Å; A255-P311 HydrophobicContact CB-CB 3.98Å; A255-P311 HydrophobicContact CB-CG 3.95Å; L276-P311 HydrophobicContact CD1-CG 3.98Å; L276-P311 HydrophobicContact CD2-CG 3.54Å; L276-P311 HydrophobicContact CG-CG 4.19Å; P311-R313 PolarHBondContact O-N 2.84Å
312	E	61.9	Low	49.2	Very low	91 Å²	91	45.9 Å²	45.9	43%	0.425	26%	0.261	S	S	.	.	S	Bend	trans	-70.9	-16.1	176.7	-58.9	-168.2	161.5	0	0	112.5	Y219 V221 E222 S253 G310	Y219-E312 HydrophobicContact CD1-CG 4.5Å; V221-E312 VanDerWaalsContact CA-O 3.31Å; V221-E312 WeakPolarHBondContact CA-O 3.37Å; E222-E312 PolarHBondContact N-O 2.82Å; S253-E312 PolarHBondContact O-N 3.28Å; G310-E312 PolarHBondContact O-N 3.1Å
313	R	65.9	Low	50.5	Low	60 Å²	60	43.9 Å²	43.9	23%	0.226	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.6	179.6	-51.5	-174.3	-170.4	112.2	18.8	112.6	E222 Y249 S253 V254 A255 P311	E222-R313 HydrophobicContact CB-CG 4.49Å; E222-R313 CarbonylContact O-C 3.56Å; E222-R313 VanDerWaalsContact O-CA 3.24Å; E222-R313 WeakPolarHBondContact O-CA 3.33Å; Y249-R313 PolarHBondContact O-NH1 3.33Å; Y249-R313 VanDerWaalsContact O-NH1 3.12Å; S253-R313 PolarHBondContact O-N 3.45Å; V254-R313 WeakPolarHBondContact CA-O 3.44Å; V254-R313 HydrophobicContact CG1-CB 4.36Å; V254-R313 HydrophobicContact CG2-CB 4.21Å; A255-R313 PolarHBondContact N-O 2.88Å; P311-R313 PolarHBondContact O-N 2.84Å
314	V	66.1	Low	51.6	Low	3 Å²	3	47 Å²	47	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.3	172.2	177.4	0	0	0	0	109.3	V221 E222 A223 T224 A255 I257 T272 L276 F316 L356	V221-V314 HydrophobicContact CG1-CG2 3.63Å; E222-V314 PolarHBondContact O-N 3.49Å; A223-V314 WeakPolarHBondContact CA-O 3.34Å; A223-V314 HydrophobicContact CB-CB 4.44Å; T224-V314 PolarHBondContact N-O 3.12Å; A255-V314 HydrophobicContact CB-CG2 4.38Å; A255-V314 CarbonylContact O-C 3.55Å; A255-V314 WeakPolarHBondContact O-CA 3.45Å; I257-V314 HydrophobicContact CD1-CG1 3.81Å; I257-V314 HydrophobicContact CG1-CG1 4.32Å; T272-V314 HydrophobicContact CG2-CG1 4.14Å; T272-V314 HydrophobicContact CG2-CG2 3.94Å; L276-V314 HydrophobicContact CD1-CG2 3.24Å; V314-F316 HydrophobicContact CG1-CD1 4.47Å; V314-F316 HydrophobicContact CG1-CD2 4.03Å; V314-F316 HydrophobicContact CG1-CE1 4.08Å; V314-F316 HydrophobicContact CG1-CE2 3.61Å; V314-F316 HydrophobicContact CG1-CG 4.47Å; V314-F316 HydrophobicContact CG1-CZ 3.64Å; V314-L356 HydrophobicContact CG2-CD2 4.29Å
315	L	64.4	Low	53.1	Low	5 Å²	5	48.8 Å²	48.8	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.3	170	-163.8	85	0	0	0	111.6	T224 L226 Y231 W250 V254 A255 I257 V317	T224-L315 HydrophobicContact CG2-CD1 4.41Å; T224-L315 WeakPolarHBondContact O-CA 3.2Å; L226-L315 HydrophobicContact CB-CD1 4.02Å; L226-L315 HydrophobicContact CB-CD2 3.99Å; L226-L315 HydrophobicContact CB-CG 4.15Å; L226-L315 HydrophobicContact CD2-CD2 3.9Å; Y231-L315 HydrophobicContact CD2-CD2 3.97Å; Y231-L315 HydrophobicContact CE2-CD2 4.45Å; W250-L315 HydrophobicContact CH2-CD2 3.28Å; W250-L315 HydrophobicContact CH2-CG 4.49Å; W250-L315 HydrophobicContact CZ2-CD2 4.43Å; W250-L315 HydrophobicContact CZ3-CD2 3.46Å; W250-L315 VanDerWaalsContact CZ3-CD2 3.46Å; V254-L315 HydrophobicContact CG1-CB 4.36Å; A255-L315 PolarHBondContact O-N 2.83Å; I257-L315 PolarHBondContact N-O 3.34Å; L315-V317 HydrophobicContact CD2-CG2 3.82Å; L315-V317 HydrophobicContact CG-CG2 4.46Å
316	F	67	Low	54.9	Low	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	108.4	171	-64.5	-74.4	0	0	0	110.2	A223 T224 A225 L226 I257 V259 L268 I269 T272 V314 W330 V341	A223-F316 HydrophobicContact CB-CE2 4.13Å; T224-F316 PolarHBondContact O-N 2.87Å; A225-F316 CarbonylContact C-O 3.49Å; A225-F316 VanDerWaalsContact CA-O 3.25Å; A225-F316 WeakPolarHBondContact CA-O 3.39Å; A225-F316 HydrophobicContact CB-CB 4.15Å; L226-F316 PolarHBondContact N-O 3.14Å; I257-F316 HydrophobicContact CB-CD1 3.98Å; I257-F316 HydrophobicContact CB-CE1 4.2Å; I257-F316 HydrophobicContact CD1-CE1 3.91Å; I257-F316 HydrophobicContact CD1-CZ 4.49Å; I257-F316 HydrophobicContact CG2-CD1 4.14Å; I257-F316 HydrophobicContact CG2-CE1 4.22Å; I257-F316 CarbonylContact O-C 3.49Å; I257-F316 WeakPolarHBondContact O-CA 3.43Å; V259-F316 HydrophobicContact CG1-CD1 3.84Å; V259-F316 HydrophobicContact CG2-CB 4.03Å; L268-F316 HydrophobicContact CD2-CD1 3.97Å; L268-F316 HydrophobicContact CD2-CE1 3.6Å; L268-F316 HydrophobicContact CG-CE1 4.15Å; I269-F316 HydrophobicContact CD1-CE2 4.27Å; I269-F316 HydrophobicContact CD1-CZ 4.1Å; T272-F316 HydrophobicContact CG2-CZ 4.29Å; V314-F316 HydrophobicContact CG1-CD1 4.47Å; V314-F316 HydrophobicContact CG1-CD2 4.03Å; V314-F316 HydrophobicContact CG1-CE1 4.08Å; V314-F316 HydrophobicContact CG1-CE2 3.61Å; V314-F316 HydrophobicContact CG1-CG 4.47Å; V314-F316 HydrophobicContact CG1-CZ 3.64Å; F316-W330 HydrophobicContact CB-CE3 4.25Å; F316-W330 HydrophobicContact CB-CZ3 3.89Å; F316-W330 HydrophobicContact CD1-CH2 4.48Å; F316-W330 HydrophobicContact CD1-CZ3 4Å; F316-W330 HydrophobicContact CD2-CZ3 4.15Å; F316-W330 HydrophobicContact CG-CE3 4.44Å; F316-W330 AromaticContact CG-CZ3 3.75Å; F316-W330 HydrophobicContact CG-CZ3 3.75Å; F316-V341 HydrophobicContact CD2-CG1 4.12Å
317	V	61.9	Low	56.9	Low	5 Å²	5	54.2 Å²	54.2	3%	0.03	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	112.1	179.8	-178.7	0	0	0	0	109.5	L226 L228 Y231 V256 I257 V259 L315 L319	L226-V317 CarbonylContact O-C 3.48Å; L226-V317 VanDerWaalsContact O-CA 3.32Å; L226-V317 WeakPolarHBondContact O-CA 3.33Å; L228-V317 HydrophobicContact CB-CG1 4.27Å; L228-V317 HydrophobicContact CD1-CG1 3.86Å; Y231-V317 HydrophobicContact CD2-CG2 3.75Å; Y231-V317 HydrophobicContact CE2-CG2 4.24Å; Y231-V317 HydrophobicContact CG-CG1 4.22Å; Y231-V317 HydrophobicContact CG-CG2 4Å; V256-V317 HydrophobicContact CG1-CG2 3.62Å; I257-V317 PolarHBondContact O-N 2.96Å; V259-V317 PolarHBondContact N-O 2.85Å; V259-V317 VanDerWaalsContact O-O 3.05Å; L315-V317 HydrophobicContact CD2-CG2 3.82Å; L315-V317 HydrophobicContact CG-CG2 4.46Å; V317-L319 HydrophobicContact CG1-CD2 4.38Å; V317-L319 PolarHBondContact O-N 2.98Å
318	L	63	Low	59	Low	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	104	-177.6	-49.7	-175.6	0	0	0	109.8	A225 L226 L228 V259 A321 L327 W330 V343	A225-L318 HydrophobicContact CB-CD2 4.28Å; A225-L318 HydrophobicContact CB-CG 4.45Å; L226-L318 PolarHBondContact O-N 3.05Å; L228-L318 PolarHBondContact N-O 3.22Å; L228-L318 VanDerWaalsContact N-O 3.08Å; V259-L318 HydrophobicContact CG2-CD2 3.54Å; V259-L318 WeakPolarHBondContact O-CA 3.32Å; L318-A321 HydrophobicContact CB-CB 3.87Å; L318-A321 HydrophobicContact CD1-CB 4.17Å; L318-L327 HydrophobicContact CD1-CD2 4.02Å; L318-W330 HydrophobicContact CD1-CB 4.41Å; L318-W330 HydrophobicContact CD2-CB 4.45Å; L318-W330 HydrophobicContact CD2-CD2 3.94Å; L318-W330 HydrophobicContact CD2-CE3 4.29Å; L318-W330 HydrophobicContact CD2-CG 4.01Å; L318-V343 HydrophobicContact CD1-CG1 4.46Å; L318-V343 HydrophobicContact CD1-CG2 4.14Å
319	L	57.3	Low	61	Low	86 Å²	86	58.7 Å²	58.7	45%	0.45	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-26.7	-173.6	-62.2	-176.9	0	0	0	114.7	L228 P258 V259 V317	L228-L319 HydrophobicContact CD1-CD2 4.11Å; L228-L319 HydrophobicContact CD2-CD2 4.1Å; P258-L319 HydrophobicContact CB-CD1 4.06Å; P258-L319 HydrophobicContact CB-CD2 4.07Å; P258-L319 HydrophobicContact CB-CG 4.17Å; V259-L319 PolarHBondContact O-N 2.85Å; V317-L319 HydrophobicContact CG1-CD2 4.38Å; V317-L319 PolarHBondContact O-N 2.98Å
320	D	58.9	Low	62.7	Low	66 Å²	66	54.4 Å²	54.4	35%	0.353	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	16.3	-176.8	62.9	-17.2	0	0	0	112.5	R260 R261 S262	R260-D320 WeakPolarHBondContact CA-OD1 3.28Å; R261-D320 WeakPolarHBondContact CA-OD1 3.24Å; R261-D320 WeakPolarHBondContact CB-OD1 3.26Å; R261-D320 PolarHBondContact N-OD1 2.94Å; R261-D320 PolarHBondContact N-OD2 3.08Å; S262-D320 PolarHBondContact N-OD2 3.22Å; S262-D320 PolarHBondContact OG-OD2 2.84Å
321	A	58.1	Low	63.7	Low	5 Å²	5	61 Å²	61	4%	0.041	29%	0.287	C	S	.	.			trans	-130.3	142.7	177.6	0	0	0	0	0	111.3	R261 L318	R261-A321 HydrophobicContact CB-CB 4.32Å; L318-A321 HydrophobicContact CB-CB 3.87Å; L318-A321 HydrophobicContact CD1-CB 4.17Å
322	T	58.3	Low	64.2	Low	69 Å²	69	59.7 Å²	59.7	42%	0.423	28%	0.279	S	S	.	.			trans	-115.5	161.6	176.8	59.3	0	0	0	0	110.7	D229 S324 D325	D229-T322 WeakPolarHBondContact OD1-CA 3.47Å; T322-S324 PolarHBondContact O-N 2.96Å; T322-S324 PolarHBondContact OG1-OG 2.81Å; T322-D325 WeakPolarHBondContact O-CB 3.49Å; T322-D325 PolarHBondContact O-N 3.49Å; T322-D325 VanDerWaalsContact O-N 3.12Å
323	A	58	Low	63.8	Low	23 Å²	23	56.2 Å²	56.2	19%	0.19	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.5	-179.5	0	0	0	0	0	114.7	D229 R230	D229-A323 PolarHBondContact OD1-N 3.46Å; D229-A323 VanDerWaalsContact OD1-N 3.08Å; D229-A323 WeakPolarHBondContact OD2-CB 3.47Å; D229-A323 PolarHBondContact OD2-N 2.96Å; R230-A323 HydrophobicContact CG-CB 3.82Å
324	S	53.7	Low	62.9	Low	97 Å²	97	57.1 Å²	57.1	68%	0.678	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-27.2	179	67.4	0	0	0	0	112.9	T322 R326	T322-S324 PolarHBondContact O-N 2.96Å; T322-S324 PolarHBondContact OG1-OG 2.81Å; S324-R326 PolarHBondContact O-N 2.87Å; S324-R326 VanDerWaalsContact O-N 3.13Å
325	D	56.6	Low	62	Low	63 Å²	63	61.6 Å²	61.6	34%	0.337	32%	0.32	S	S	.	.	S	Bend	trans	-64.4	109.6	166.3	-88.1	-45.3	0	0	0	108.9	R261 T322 L327 N345	R261-D325 IonicContact NH1-OD1 3.65Å; R261-D325 PolarHBondContact NH1-OD1 3.31Å; R261-D325 IonicContact NH1-OD2 3.6Å; R261-D325 PolarHBondContact NH1-OD2 3.49Å; T322-D325 WeakPolarHBondContact O-CB 3.49Å; T322-D325 PolarHBondContact O-N 3.49Å; T322-D325 VanDerWaalsContact O-N 3.12Å; D325-L327 PolarHBondContact O-N 3.31Å; D325-N345 PolarHBondContact O-ND2 2.81Å
326	R	64.7	Low	61.3	Low	242 Å²	242	64.7 Å²	64.7	91%	0.913	35%	0.353	S	S	*	.			trans	-69.1	32.8	-179.3	-61.9	-178.4	176.1	-178	-1.4	114.6	S324 R328	S324-R326 PolarHBondContact O-N 2.87Å; S324-R326 VanDerWaalsContact O-N 3.13Å; R326-R328 PolarHBondContact O-N 2.95Å
327	L	71.2	Confident	60.6	Low	33 Å²	33	66.7 Å²	66.7	17%	0.173	36%	0.364	C	S	.	.			trans	-63.9	113.5	-179.6	-173	69.7	0	0	0	110.6	R261 L318 D325 F329 V343 N345	R261-L327 HydrophobicContact CG-CD2 4.39Å; L318-L327 HydrophobicContact CD1-CD2 4.02Å; D325-L327 PolarHBondContact O-N 3.31Å; L327-F329 WeakPolarHBondContact CD1-O 3.2Å; L327-F329 WeakPolarHBondContact CG-O 3.35Å; L327-V343 HydrophobicContact CD2-CG1 4.45Å; L327-V343 HydrophobicContact CD2-CG2 3.94Å; L327-V343 HydrophobicContact CG-CG2 4.22Å; L327-N345 PolarHBondContact N-ND2 2.93Å; L327-N345 PolarHBondContact O-ND2 2.89Å
328	R	74.7	Confident	60.4	Low	190 Å²	190	71.3 Å²	71.3	72%	0.717	39%	0.388	S	S	*	.	S	Bend	trans	-81.8	-29	174.6	-66	-173.3	-177.7	-176	-0	113.1	R326 V343	R326-R328 PolarHBondContact O-N 2.95Å; R328-V343 PolarHBondContact O-N 3.13Å
329	F	79.7	Confident	60.6	Low	61 Å²	61	71.4 Å²	71.4	27%	0.268	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	134.5	-176.7	-56.1	-82.1	0	0	0	110.2	L327 Q340 V341 P342	L327-F329 WeakPolarHBondContact CD1-O 3.2Å; L327-F329 WeakPolarHBondContact CG-O 3.35Å; F329-Q340 HydrophobicContact CB-CB 3.93Å; F329-Q340 HydrophobicContact CB-CG 3.95Å; F329-Q340 HydrophobicContact CD1-CB 3.88Å; F329-Q340 HydrophobicContact CG-CB 4.02Å; F329-Q340 HydrophobicContact CG-CG 4.2Å; F329-V341 CarbonylContact C-O 3.57Å; F329-V341 VanDerWaalsContact CA-O 3.31Å; F329-V341 WeakPolarHBondContact CA-O 3.33Å; F329-P342 HydrophobicContact CD1-CB 4.22Å; F329-P342 HydrophobicContact CD1-CG 4.34Å; F329-P342 HydrophobicContact CE1-CB 4.21Å; F329-P342 HydrophobicContact CE1-CG 4.26Å
330	W	74.5	Confident	61.6	Low	5 Å²	5	70.3 Å²	70.3	2%	0.019	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	134	164.6	174.7	50.2	0	0	0	108.1	A225 V259 R261 L268 F316 L318 P332 V341 V343	A225-W330 HydrophobicContact CB-CB 4.27Å; A225-W330 HydrophobicContact CB-CE3 4.42Å; V259-W330 HydrophobicContact CB-CH2 4.07Å; V259-W330 HydrophobicContact CB-CZ2 4.27Å; V259-W330 HydrophobicContact CG1-CH2 4.1Å; V259-W330 HydrophobicContact CG2-CH2 3.78Å; V259-W330 HydrophobicContact CG2-CZ2 3.98Å; V259-W330 HydrophobicContact CG2-CZ3 4.16Å; R261-W330 PolarHBondContact O-NE1 3.29Å; L268-W330 HydrophobicContact CD2-CH2 4.06Å; F316-W330 HydrophobicContact CB-CE3 4.25Å; F316-W330 HydrophobicContact CB-CZ3 3.89Å; F316-W330 HydrophobicContact CD1-CH2 4.48Å; F316-W330 HydrophobicContact CD1-CZ3 4Å; F316-W330 HydrophobicContact CD2-CZ3 4.15Å; F316-W330 HydrophobicContact CG-CE3 4.44Å; F316-W330 AromaticContact CG-CZ3 3.75Å; F316-W330 HydrophobicContact CG-CZ3 3.75Å; L318-W330 HydrophobicContact CD1-CB 4.41Å; L318-W330 HydrophobicContact CD2-CB 4.45Å; L318-W330 HydrophobicContact CD2-CD2 3.94Å; L318-W330 HydrophobicContact CD2-CE3 4.29Å; L318-W330 HydrophobicContact CD2-CG 4.01Å; W330-P332 HydrophobicContact CD2-CB 4.5Å; W330-P332 HydrophobicContact CE3-CG 4.37Å; W330-P332 HydrophobicContact CH2-CB 3.97Å; W330-P332 HydrophobicContact CH2-CG 4.44Å; W330-P332 HydrophobicContact CZ2-CB 3.82Å; W330-P332 HydrophobicContact CZ3-CB 4.35Å; W330-P332 HydrophobicContact CZ3-CG 4.33Å; W330-P332 WeakPolarHBondContact O-CD 3.28Å; W330-V341 HydrophobicContact CE3-CB 4.08Å; W330-V341 HydrophobicContact CE3-CG2 3.9Å; W330-V341 HydrophobicContact CZ3-CG2 4.33Å; W330-V341 PolarHBondContact N-O 3.31Å; W330-V341 PolarHBondContact O-N 2.89Å; W330-V343 HydrophobicContact CB-CG2 3.66Å
331	R	70.1	Confident	62.5	Low	148 Å²	148	67.1 Å²	67.1	56%	0.558	36%	0.364	S	S	*	.			trans	-116.3	86.7	-176.9	-68	-177.2	179.1	169.3	-1.4	110	G333 L339 Q340	R331-G333 PolarHBondContact O-N 2.73Å; R331-G333 VanDerWaalsContact O-N 3.11Å; R331-L339 VanDerWaalsContact CA-O 3.32Å; R331-L339 WeakPolarHBondContact CA-O 3.2Å; R331-Q340 HydrophobicContact CG-CG 3.99Å; R331-Q340 VanDerWaalsContact NH2-NE2 3.11Å
332	P	61.9	Low	63.7	Low	1 Å²	1	67.3 Å²	67.3	1%	0.006	36%	0.364	C	S	.	.			trans	-72	101.1	177.1	27.9	-33.2	0	0	0	110.8	I269 W330 L339 V341	I269-P332 HydrophobicContact CD1-CG 4.35Å; I269-P332 HydrophobicContact CG1-CG 4.12Å; W330-P332 HydrophobicContact CD2-CB 4.5Å; W330-P332 HydrophobicContact CE3-CG 4.37Å; W330-P332 HydrophobicContact CH2-CB 3.97Å; W330-P332 HydrophobicContact CH2-CG 4.44Å; W330-P332 HydrophobicContact CZ2-CB 3.82Å; W330-P332 HydrophobicContact CZ3-CB 4.35Å; W330-P332 HydrophobicContact CZ3-CG 4.33Å; W330-P332 WeakPolarHBondContact O-CD 3.28Å; P332-L339 HydrophobicContact CG-CB 4.19Å; P332-V341 HydrophobicContact CG-CG2 4.25Å
333	G	52.9	Low	64.6	Low	19 Å²	19	64.6 Å²	64.6	20%	0.196	35%	0.348	C	S	.	.	S	Bend	trans	139.6	178.7	176.4	0	0	0	0	0	114.5	R331	R331-G333 PolarHBondContact O-N 2.73Å; R331-G333 VanDerWaalsContact O-N 3.11Å
334	S	47.2	Very low	65.3	Low	79 Å²	79	64 Å²	64	55%	0.552	34%	0.342	S	S	*	.			trans	-80.4	153.9	172.5	56	0	0	0	0	111.6	G336 L337	S334-G336 PolarHBondContact O-N 3.43Å; S334-L337 PolarHBondContact O-N 3.21Å
335	A	47.4	Very low	66	Low	96 Å²	96	60.2 Å²	60.2	79%	0.793	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-15.4	-160.7	0	0	0	0	0	117.5	I338	A335-I338 WeakPolarHBondContact O-CG1 3.39Å
336	G	50.3	Low	66	Low	70 Å²	70	62.6 Å²	62.6	72%	0.722	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-19.3	176.2	0	0	0	0	0	114.7	S334	S334-G336 PolarHBondContact O-N 3.43Å
337	L	51.9	Low	65.4	Low	42 Å²	42	58.3 Å²	58.3	22%	0.22	31%	0.311	C	S	.	.	S	Bend	trans	-114	81.6	-177.5	-63.3	176.8	0	0	0	109.2	S334 L339 R383	S334-L337 PolarHBondContact O-N 3.21Å; L337-L339 PolarHBondContact O-N 3.12Å; L337-R383 VanDerWaalsContact CD2-NH2 3.27Å
338	I	58.8	Low	64.5	Low	103 Å²	103	59.4 Å²	59.4	53%	0.528	33%	0.33	S	S	.	.			trans	-79	67.9	-170	-50	179.8	0	0	0	111	A335 Q340	A335-I338 WeakPolarHBondContact O-CG1 3.39Å; I338-Q340 HydrophobicContact CG2-CG 3.93Å
339	L	67.4	Low	63.6	Low	2 Å²	2	52.8 Å²	52.8	1%	0.01	31%	0.313	C	S	.	.			trans	-68.4	130.1	160.2	-71.3	167.6	0	0	0	108.7	I269 R331 P332 L337 L359 D362 W363	I269-L339 HydrophobicContact CG1-CD1 4.34Å; R331-L339 VanDerWaalsContact CA-O 3.32Å; R331-L339 WeakPolarHBondContact CA-O 3.2Å; P332-L339 HydrophobicContact CG-CB 4.19Å; L337-L339 PolarHBondContact O-N 3.12Å; L339-L359 HydrophobicContact CD2-CB 4.42Å; L339-L359 HydrophobicContact CD2-CD2 4Å; L339-L359 WeakPolarHBondContact CD2-O 3.4Å; L339-D362 HydrophobicContact CD2-CB 3.67Å; L339-W363 HydrophobicContact CD1-CB 3.84Å; L339-W363 HydrophobicContact CD1-CG 4.16Å; L339-W363 HydrophobicContact CD2-CB 4.24Å
340	Q	77.2	Confident	62.6	Low	62 Å²	62	59.9 Å²	59.9	29%	0.29	34%	0.338	S	S	.	.			trans	-126.8	105.3	177.9	-76.1	180	23.8	0	0	108.7	F329 R331 I338	F329-Q340 HydrophobicContact CB-CB 3.93Å; F329-Q340 HydrophobicContact CB-CG 3.95Å; F329-Q340 HydrophobicContact CD1-CB 3.88Å; F329-Q340 HydrophobicContact CG-CB 4.02Å; F329-Q340 HydrophobicContact CG-CG 4.2Å; R331-Q340 HydrophobicContact CG-CG 3.99Å; R331-Q340 VanDerWaalsContact NH2-NE2 3.11Å; I338-Q340 HydrophobicContact CG2-CG 3.93Å
341	V	79.2	Confident	62.1	Low	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	120	165.7	-170.5	0	0	0	0	106.6	A225 I269 F316 F329 W330 P332 V343 L359	A225-V341 HydrophobicContact CB-CB 4.47Å; A225-V341 HydrophobicContact CB-CG1 3.91Å; I269-V341 HydrophobicContact CD1-CG2 4.31Å; F316-V341 HydrophobicContact CD2-CG1 4.12Å; F329-V341 CarbonylContact C-O 3.57Å; F329-V341 VanDerWaalsContact CA-O 3.31Å; F329-V341 WeakPolarHBondContact CA-O 3.33Å; W330-V341 HydrophobicContact CE3-CB 4.08Å; W330-V341 HydrophobicContact CE3-CG2 3.9Å; W330-V341 HydrophobicContact CZ3-CG2 4.33Å; W330-V341 PolarHBondContact N-O 3.31Å; W330-V341 PolarHBondContact O-N 2.89Å; P332-V341 HydrophobicContact CG-CG2 4.25Å; V341-V343 PolarHBondContact O-N 3.29Å; V341-L359 HydrophobicContact CG2-CD1 3.9Å; V341-L359 HydrophobicContact CG2-CD2 4.36Å
342	P	81.7	Confident	62.2	Low	9 Å²	9	59.2 Å²	59.2	6%	0.058	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	137	178.2	-20.3	31.3	0	0	0	111.1	A225 F329 E352 T354	A225-P342 PolarHBondContact N-O 3.33Å; F329-P342 HydrophobicContact CD1-CB 4.22Å; F329-P342 HydrophobicContact CD1-CG 4.34Å; F329-P342 HydrophobicContact CE1-CB 4.21Å; F329-P342 HydrophobicContact CE1-CG 4.26Å; P342-E352 HydrophobicContact CB-CB 3.64Å; P342-E352 WeakPolarHBondContact CB-O 3.07Å; P342-E352 HydrophobicContact CG-CB 4.08Å; P342-T354 HydrophobicContact CG-CG2 4.41Å
343	V	78.7	Confident	63.2	Low	12 Å²	12	61.2 Å²	61.2	7%	0.073	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-106.9	118.5	178.6	174.4	0	0	0	0	108.9	A225 P227 L318 L327 R328 W330 V341 N345	A225-V343 HydrophobicContact CB-CG2 3.77Å; A225-V343 WeakPolarHBondContact O-CA 3.27Å; P227-V343 HydrophobicContact CG-CG1 4.38Å; L318-V343 HydrophobicContact CD1-CG1 4.46Å; L318-V343 HydrophobicContact CD1-CG2 4.14Å; L327-V343 HydrophobicContact CD2-CG1 4.45Å; L327-V343 HydrophobicContact CD2-CG2 3.94Å; L327-V343 HydrophobicContact CG-CG2 4.22Å; R328-V343 PolarHBondContact O-N 3.13Å; W330-V343 HydrophobicContact CB-CG2 3.66Å; V341-V343 PolarHBondContact O-N 3.29Å; V343-N345 PolarHBondContact O-N 3.18Å
344	C	72.6	Confident	64.6	Low	9 Å²	9	61.1 Å²	61.1	6%	0.061	35%	0.352	C	S	.	.			trans	-79.6	84.5	-178.5	-173.4	0	0	0	0	111.6	T224 A225 L226 F245 P351	T224-C344 HydrophobicContact CG2-CB 4.17Å; A225-C344 PolarHBondContact O-N 3.25Å; L226-C344 HydrophobicContact CD1-CB 3.9Å; L226-C344 WeakPolarHBondContact CD1-O 3.33Å; F245-C344 VanDerWaalsContact CE2-SG 3.53Å; F245-C344 HydrophobicContact CZ-CB 4.16Å; C344-P351 HydrophobicContact CB-CB 4.25Å
345	N	67.5	Low	66.2	Low	18 Å²	18	59.2 Å²	59.2	10%	0.096	34%	0.339	C	S	.	.			trans	-100.5	-35.1	-175.3	-96.3	-12.1	0	0	0	115.4	P227 R230 D325 L327 V343	P227-N345 WeakPolarHBondContact CG-OD1 3.31Å; R230-N345 PolarHBondContact NH2-O 2.9Å; D325-N345 PolarHBondContact O-ND2 2.81Å; L327-N345 PolarHBondContact N-ND2 2.93Å; L327-N345 PolarHBondContact O-ND2 2.89Å; V343-N345 PolarHBondContact O-N 3.18Å
346	L	57.5	Low	67.4	Low	114 Å²	114	54.7 Å²	54.7	60%	0.597	30%	0.301	S	S	*	.	S	Bend	trans	-82.8	137.3	-169.3	-73.3	167.3	0	0	0	112.3	G348 S349	L346-G348 PolarHBondContact O-N 2.89Å; L346-S349 VanDerWaalsContact CB-OG 3.3Å; L346-S349 WeakPolarHBondContact CB-OG 3.5Å; L346-S349 PolarHBondContact O-OG 3.1Å
347	Y	52.1	Low	68.3	Low	152 Å²	152	54 Å²	54	60%	0.596	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	125.5	170.9	-79.5	-85.5	0	0	0	110.4	R230 F241 S349	R230-Y347 PolarHBondContact NH1-OH 3.33Å; F241-Y347 HydrophobicContact CD2-CD1 4.05Å; F241-Y347 HydrophobicContact CD2-CE1 4.07Å; F241-Y347 AromaticContact CE2-CD1 3.26Å; F241-Y347 HydrophobicContact CE2-CD1 3.26Å; F241-Y347 AromaticContact CE2-CE1 3.34Å; F241-Y347 HydrophobicContact CE2-CE1 3.34Å; F241-Y347 HydrophobicContact CE2-CG 4.09Å; F241-Y347 AromaticContact CZ-CD1 3.57Å; F241-Y347 HydrophobicContact CZ-CD1 3.57Å; F241-Y347 HydrophobicContact CZ-CE1 4.08Å; F241-Y347 AromaticContact CZ-CG 3.97Å; F241-Y347 HydrophobicContact CZ-CG 3.97Å; Y347-S349 VanDerWaalsContact C-N 3.34Å; Y347-S349 PolarHBondContact O-N 2.63Å
348	G	50.9	Low	69.2	Low	55 Å²	55	59.3 Å²	59.3	57%	0.567	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-10.2	170.4	0	0	0	0	0	117	Q244 L346	Q244-G348 PolarHBondContact NE2-O 3.14Å; Q244-G348 PolarHBondContact OE1-O 2.94Å; L346-G348 PolarHBondContact O-N 2.89Å
349	S	55.4	Low	69.9	Low	51 Å²	51	54.4 Å²	54.4	36%	0.357	27%	0.271	S	S	.	.	S	Bend	trans	-79	129.6	169.9	58.8	0	0	0	0	110.5	Q244 L346 Y347	Q244-S349 PolarHBondContact OE1-O 3.03Å; L346-S349 VanDerWaalsContact CB-OG 3.3Å; L346-S349 WeakPolarHBondContact CB-OG 3.5Å; L346-S349 PolarHBondContact O-OG 3.1Å; Y347-S349 VanDerWaalsContact C-N 3.34Å; Y347-S349 PolarHBondContact O-N 2.63Å
350	R	59	Low	69.9	Low	211 Å²	211	54.7 Å²	54.7	80%	0.796	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-49.9	131.5	174	-175.2	178.7	-177.9	171.5	1	109.5	E352	R350-E352 PolarHBondContact O-N 3.45Å; R350-E352 VanDerWaalsContact O-N 3.11Å
351	P	64.9	Low	69.3	Low	14 Å²	14	52.7 Å²	52.7	9%	0.091	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-57.3	121	178.1	20.9	-31.7	0	0	0	109.6	F245 C344	F245-P351 HydrophobicContact CE1-CB 4.29Å; F245-P351 HydrophobicContact CE1-CG 4.14Å; F245-P351 HydrophobicContact CE2-CB 4.34Å; F245-P351 HydrophobicContact CE2-CG 4.31Å; F245-P351 HydrophobicContact CZ-CB 3.72Å; F245-P351 HydrophobicContact CZ-CG 3.87Å; C344-P351 HydrophobicContact CB-CB 4.25Å
352	E	72.7	Confident	68.8	Low	124 Å²	124	55 Å²	55	58%	0.579	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-70	134.5	167.8	-72.1	-177.3	-177.3	0	0	108.4	T224 P342 R350	T224-E352 WeakPolarHBondContact CG2-O 3.17Å; T224-E352 PolarHBondContact OG1-O 2.85Å; P342-E352 HydrophobicContact CB-CB 3.64Å; P342-E352 WeakPolarHBondContact CB-O 3.07Å; P342-E352 HydrophobicContact CG-CB 4.08Å; R350-E352 PolarHBondContact O-N 3.45Å; R350-E352 VanDerWaalsContact O-N 3.11Å
353	S	81.7	Confident	68.2	Low	43 Å²	43	55.2 Å²	55.2	30%	0.301	28%	0.275	S	S	.	.			trans	-123	154.6	172.6	65	0	0	0	0	109.3	E222 T224	E222-S353 VanDerWaalsContact CD-OG 3.29Å; E222-S353 WeakPolarHBondContact OE2-CB 3.43Å; E222-S353 PolarHBondContact OE2-OG 3.26Å; T224-S353 WeakPolarHBondContact OG1-CA 3.47Å; T224-S353 WeakPolarHBondContact OG1-CB 3.3Å
354	T	82.1	Confident	67.3	Low	18 Å²	18	54.8 Å²	54.8	11%	0.11	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.8	172.6	-173.9	0	0	0	0	109.1	A223 P342 L356 L359	A223-T354 HydrophobicContact CB-CG2 4.46Å; A223-T354 PolarHBondContact N-O 3.04Å; A223-T354 PolarHBondContact O-N 3.28Å; P342-T354 HydrophobicContact CG-CG2 4.41Å; T354-L356 PolarHBondContact O-N 2.64Å; T354-L359 HydrophobicContact CG2-CD1 3.55Å; T354-L359 HydrophobicContact CG2-CD2 3.87Å; T354-L359 HydrophobicContact CG2-CG 3.62Å
355	S	80.5	Confident	66.8	Low	39 Å²	39	54.6 Å²	54.6	27%	0.273	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	131.5	177.1	178	0	0	0	0	110.2	E357 R358 L359	S355-E357 PolarHBondContact O-N 3.07Å; S355-E357 WeakPolarHBondContact OG-CB 3.45Å; S355-E357 PolarHBondContact OG-N 3.2Å; S355-R358 WeakPolarHBondContact O-CA 3.43Å; S355-R358 WeakPolarHBondContact O-CB 3.27Å; S355-R358 PolarHBondContact O-N 3.19Å; S355-L359 PolarHBondContact O-N 3.41Å
356	L	72.8	Confident	66.5	Low	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-31	172.2	-173.7	66.2	0	0	0	111.5	V221 A223 T272 F273 L276 V314 T354 L359 F360	V221-L356 HydrophobicContact CB-CB 4.06Å; V221-L356 HydrophobicContact CB-CD2 4.05Å; V221-L356 HydrophobicContact CG1-CB 4.16Å; V221-L356 HydrophobicContact CG1-CD2 3.71Å; V221-L356 WeakPolarHBondContact O-CB 3.43Å; V221-L356 PolarHBondContact O-N 2.83Å; A223-L356 HydrophobicContact CB-CD1 4.43Å; T272-L356 HydrophobicContact CG2-CD1 4.24Å; T272-L356 HydrophobicContact CG2-CD2 3.93Å; F273-L356 HydrophobicContact CB-CD2 4.34Å; F273-L356 HydrophobicContact CB-CG 4.07Å; F273-L356 HydrophobicContact CD2-CG 4.17Å; L276-L356 HydrophobicContact CD1-CD2 4.36Å; V314-L356 HydrophobicContact CG2-CD2 4.29Å; T354-L356 PolarHBondContact O-N 2.64Å; L356-L359 PolarHBondContact O-N 3.03Å; L356-F360 WeakPolarHBondContact O-CB 3.27Å; L356-F360 PolarHBondContact O-N 3.25Å
357	E	69.2	Low	66.4	Low	57 Å²	57	53.4 Å²	53.4	27%	0.266	28%	0.282	S	S	.	.	H	α-helix	trans	-64	-43	170.7	-163.1	-152.9	143.1	0	0	111.1	F273 S355 F360 W361 R371	F273-E357 HydrophobicContact CD2-CB 4.46Å; F273-E357 VanDerWaalsContact CE2-CA 3.44Å; F273-E357 HydrophobicContact CE2-CB 3.69Å; F273-E357 HydrophobicContact CE2-CG 3.7Å; F273-E357 HydrophobicContact CZ-CB 4.4Å; F273-E357 HydrophobicContact CZ-CG 3.9Å; S355-E357 PolarHBondContact O-N 3.07Å; S355-E357 WeakPolarHBondContact OG-CB 3.45Å; S355-E357 PolarHBondContact OG-N 3.2Å; E357-F360 WeakPolarHBondContact O-CB 3.48Å; E357-F360 PolarHBondContact O-N 3.05Å; E357-W361 PolarHBondContact O-N 3.23Å; E357-W361 PolarHBondContact OE1-NE1 2.96Å; E357-R371 IonicContact OE1-CZ 3.63Å; E357-R371 IonicContact OE1-NH1 3.64Å; E357-R371 PolarHBondContact OE1-NH1 3.4Å; E357-R371 IonicContact OE1-NH2 3.5Å
358	R	72	Confident	66.4	Low	152 Å²	152	48.3 Å²	48.3	57%	0.574	27%	0.268	S	S	*	.	H	α-helix	trans	-61.9	-46.9	174.6	176.5	-179.4	174.5	171.2	4.9	110.9	S355 F360 W361 D362	S355-R358 WeakPolarHBondContact O-CA 3.43Å; S355-R358 WeakPolarHBondContact O-CB 3.27Å; S355-R358 PolarHBondContact O-N 3.19Å; R358-F360 PolarHBondContact O-N 2.95Å; R358-W361 PolarHBondContact O-N 2.76Å; R358-W361 VanDerWaalsContact O-N 3.16Å; R358-D362 WeakPolarHBondContact CG-OD2 3.34Å; R358-D362 IonicContact NE-OD2 2.69Å; R358-D362 PolarHBondContact NE-OD2 3.48Å; R358-D362 VanDerWaalsContact NE-OD2 3.14Å; R358-D362 WeakPolarHBondContact O-CB 3.23Å; R358-D362 VanDerWaalsContact O-CG 3.3Å; R358-D362 PolarHBondContact O-N 2.93Å
359	L	73.3	Confident	66.4	Low	1 Å²	1	50.3 Å²	50.3	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-59.5	-36.7	176.1	-69.6	174.3	0	0	0	111.9	A223 I269 L339 V341 T354 S355 L356 W363	A223-L359 HydrophobicContact CB-CD1 3.88Å; I269-L359 HydrophobicContact CD1-CD1 4.14Å; I269-L359 HydrophobicContact CG2-CB 3.55Å; L339-L359 HydrophobicContact CD2-CB 4.42Å; L339-L359 HydrophobicContact CD2-CD2 4Å; L339-L359 WeakPolarHBondContact CD2-O 3.4Å; V341-L359 HydrophobicContact CG2-CD1 3.9Å; V341-L359 HydrophobicContact CG2-CD2 4.36Å; T354-L359 HydrophobicContact CG2-CD1 3.55Å; T354-L359 HydrophobicContact CG2-CD2 3.87Å; T354-L359 HydrophobicContact CG2-CG 3.62Å; S355-L359 PolarHBondContact O-N 3.41Å; L356-L359 PolarHBondContact O-N 3.03Å; L359-W363 WeakPolarHBondContact O-CB 3.28Å; L359-W363 PolarHBondContact O-N 3.46Å
360	F	67.9	Low	66.1	Low	8 Å²	8	53.7 Å²	53.7	4%	0.035	29%	0.293	C	S	.	.	H	α-helix	trans	-66.3	-42.2	173.7	175.8	-104.4	0	0	0	113	P270 F273 L356 E357 R358 W363 L364 L400	P270-F360 HydrophobicContact CB-CD2 3.68Å; P270-F360 HydrophobicContact CB-CE2 3.74Å; F273-F360 HydrophobicContact CB-CB 3.97Å; F273-F360 HydrophobicContact CB-CD2 4.23Å; F273-F360 HydrophobicContact CB-CG 4.26Å; F273-F360 HydrophobicContact CD1-CB 3.72Å; F273-F360 AromaticContact CD1-CD1 3.57Å; F273-F360 HydrophobicContact CD1-CD1 3.57Å; F273-F360 AromaticContact CD1-CD2 3.54Å; F273-F360 HydrophobicContact CD1-CD2 3.54Å; F273-F360 HydrophobicContact CD1-CE1 4.02Å; F273-F360 AromaticContact CD1-CE2 3.99Å; F273-F360 HydrophobicContact CD1-CE2 3.99Å; F273-F360 AromaticContact CD1-CG 3.29Å; F273-F360 HydrophobicContact CD1-CG 3.29Å; F273-F360 HydrophobicContact CD1-CZ 4.21Å; F273-F360 HydrophobicContact CD2-CB 3.96Å; F273-F360 HydrophobicContact CD2-CG 4.43Å; F273-F360 HydrophobicContact CE1-CB 4.14Å; F273-F360 AromaticContact CE1-CD1 3.33Å; F273-F360 HydrophobicContact CE1-CD1 3.33Å; F273-F360 HydrophobicContact CE1-CD2 4.18Å; F273-F360 AromaticContact CE1-CE1 3.67Å; F273-F360 HydrophobicContact CE1-CE1 3.67Å; F273-F360 HydrophobicContact CE1-CE2 4.45Å; F273-F360 AromaticContact CE1-CG 3.6Å; F273-F360 HydrophobicContact CE1-CG 3.6Å; F273-F360 HydrophobicContact CE1-CZ 4.22Å; F273-F360 HydrophobicContact CE2-CB 4.38Å; F273-F360 HydrophobicContact CG-CB 3.59Å; F273-F360 HydrophobicContact CG-CD1 4.32Å; F273-F360 HydrophobicContact CG-CD2 4.09Å; F273-F360 AromaticContact CG-CG 3.74Å; F273-F360 HydrophobicContact CG-CG 3.74Å; F273-F360 HydrophobicContact CZ-CB 4.44Å; F273-F360 AromaticContact CZ-CD1 3.93Å; F273-F360 HydrophobicContact CZ-CD1 3.93Å; F273-F360 HydrophobicContact CZ-CG 4.29Å; L356-F360 WeakPolarHBondContact O-CB 3.27Å; L356-F360 PolarHBondContact O-N 3.25Å; E357-F360 WeakPolarHBondContact O-CB 3.48Å; E357-F360 PolarHBondContact O-N 3.05Å; R358-F360 PolarHBondContact O-N 2.95Å; F360-W363 HydrophobicContact CE2-CE3 4.47Å; F360-W363 WeakPolarHBondContact O-CB 3.04Å; F360-W363 PolarHBondContact O-N 3.29Å; F360-L364 HydrophobicContact CE1-CD2 4.18Å; F360-L364 HydrophobicContact CZ-CD2 4.21Å; F360-L364 WeakPolarHBondContact O-CB 3.41Å; F360-L364 PolarHBondContact O-N 3.38Å; F360-L400 HydrophobicContact CE1-CD2 4.18Å; F360-L400 HydrophobicContact CZ-CD2 4.27Å
361	W	64.1	Low	65.5	Low	19 Å²	19	50.3 Å²	50.3	7%	0.072	28%	0.28	C	S	.	.	H	α-helix	trans	-70.7	-42.6	176.3	-72.7	117	0	0	0	112.9	E357 R358 W363 L364 N365 L400 F405	E357-W361 PolarHBondContact O-N 3.23Å; E357-W361 PolarHBondContact OE1-NE1 2.96Å; R358-W361 PolarHBondContact O-N 2.76Å; R358-W361 VanDerWaalsContact O-N 3.16Å; W361-W363 PolarHBondContact O-N 3.41Å; W361-L364 HydrophobicContact CE3-CD2 4.1Å; W361-L364 HydrophobicContact CZ3-CD2 3.75Å; W361-L364 PolarHBondContact O-N 3.34Å; W361-N365 VanDerWaalsContact O-CB 3.32Å; W361-N365 WeakPolarHBondContact O-CB 3.48Å; W361-N365 PolarHBondContact O-N 2.85Å; W361-L400 HydrophobicContact CH2-CD2 4.41Å; W361-F405 AromaticContact CH2-CD1 3.96Å; W361-F405 HydrophobicContact CH2-CD1 3.96Å; W361-F405 HydrophobicContact CH2-CD2 4.3Å; W361-F405 AromaticContact CH2-CE1 3.4Å; W361-F405 HydrophobicContact CH2-CE1 3.4Å; W361-F405 AromaticContact CH2-CE2 3.78Å; W361-F405 HydrophobicContact CH2-CE2 3.78Å; W361-F405 HydrophobicContact CH2-CG 4.38Å; W361-F405 AromaticContact CH2-CZ 3.29Å; W361-F405 HydrophobicContact CH2-CZ 3.29Å; W361-F405 HydrophobicContact CZ2-CD2 4.44Å; W361-F405 HydrophobicContact CZ2-CE1 4.04Å; W361-F405 AromaticContact CZ2-CE2 3.65Å; W361-F405 HydrophobicContact CZ2-CE2 3.65Å; W361-F405 AromaticContact CZ2-CZ 3.42Å; W361-F405 HydrophobicContact CZ2-CZ 3.42Å; W361-F405 VanDerWaalsContact CZ2-CZ 3.42Å; W361-F405 HydrophobicContact CZ3-CE1 4.18Å; W361-F405 HydrophobicContact CZ3-CZ 4.35Å
362	D	68.6	Low	64.7	Low	50 Å²	50	53.5 Å²	53.5	27%	0.267	30%	0.297	S	S	.	.	H	α-helix	trans	-60.7	-36.1	173.3	-70	-14.2	0	0	0	109.5	L339 R358 S366 G367	L339-D362 HydrophobicContact CD2-CB 3.67Å; R358-D362 WeakPolarHBondContact CG-OD2 3.34Å; R358-D362 IonicContact NE-OD2 2.69Å; R358-D362 PolarHBondContact NE-OD2 3.48Å; R358-D362 VanDerWaalsContact NE-OD2 3.14Å; R358-D362 WeakPolarHBondContact O-CB 3.23Å; R358-D362 VanDerWaalsContact O-CG 3.3Å; R358-D362 PolarHBondContact O-N 2.93Å; D362-S366 WeakPolarHBondContact O-CA 3.25Å; D362-S366 PolarHBondContact O-N 2.91Å; D362-G367 PolarHBondContact O-N 3.01Å
363	W	68.2	Low	63.4	Low	13 Å²	13	49.7 Å²	49.7	5%	0.049	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-56.8	170.8	-177.2	89.7	0	0	0	109.9	S266 P270 L339 L359 F360 W361 L380 R383 M396	S266-W363 PolarHBondContact O-NE1 2.85Å; S266-W363 VanDerWaalsContact O-NE1 3.13Å; S266-W363 PolarHBondContact OG-NE1 3.01Å; S266-W363 VanDerWaalsContact OG-NE1 3.11Å; P270-W363 HydrophobicContact CB-CD2 4.38Å; P270-W363 HydrophobicContact CB-CE3 4.14Å; P270-W363 HydrophobicContact CB-CZ3 4.24Å; P270-W363 HydrophobicContact CG-CD2 3.87Å; P270-W363 HydrophobicContact CG-CE3 4.06Å; P270-W363 HydrophobicContact CG-CG 4.48Å; P270-W363 HydrophobicContact CG-CH2 4.13Å; P270-W363 HydrophobicContact CG-CZ2 3.92Å; P270-W363 HydrophobicContact CG-CZ3 4.19Å; L339-W363 HydrophobicContact CD1-CB 3.84Å; L339-W363 HydrophobicContact CD1-CG 4.16Å; L339-W363 HydrophobicContact CD2-CB 4.24Å; L359-W363 WeakPolarHBondContact O-CB 3.28Å; L359-W363 PolarHBondContact O-N 3.46Å; F360-W363 HydrophobicContact CE2-CE3 4.47Å; F360-W363 WeakPolarHBondContact O-CB 3.04Å; F360-W363 PolarHBondContact O-N 3.29Å; W361-W363 PolarHBondContact O-N 3.41Å; W363-L380 HydrophobicContact CH2-CD1 3.91Å; W363-L380 HydrophobicContact CZ3-CD1 3.91Å; W363-R383 PolarHBondContact O-NH1 3.43Å; W363-R383 PolarHBondContact O-NH2 2.82Å; W363-M396 HydrophobicContact CH2-CE 3.78Å; W363-M396 HydrophobicContact CH2-SD 3.55Å; W363-M396 VanDerWaalsContact CH2-SD 3.55Å; W363-M396 HydrophobicContact CZ3-CE 4.4Å; W363-M396 HydrophobicContact CZ3-SD 3.56Å; W363-M396 VanDerWaalsContact CZ3-SD 3.56Å
364	L	59.6	Low	61.8	Low	2 Å²	2	49.9 Å²	49.9	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-67.7	-43.2	-171.5	-170	65.7	0	0	0	113.2	F360 W361 S366 A376 N379 L380 L400	F360-L364 HydrophobicContact CE1-CD2 4.18Å; F360-L364 HydrophobicContact CZ-CD2 4.21Å; F360-L364 WeakPolarHBondContact O-CB 3.41Å; F360-L364 PolarHBondContact O-N 3.38Å; W361-L364 HydrophobicContact CE3-CD2 4.1Å; W361-L364 HydrophobicContact CZ3-CD2 3.75Å; W361-L364 PolarHBondContact O-N 3.34Å; L364-S366 VanDerWaalsContact C-N 3.35Å; L364-A376 HydrophobicContact CD2-CB 3.8Å; L364-A376 HydrophobicContact CG-CB 3.8Å; L364-N379 WeakPolarHBondContact O-CB 3.34Å; L364-N379 PolarHBondContact O-ND2 2.9Å; L364-L380 HydrophobicContact CD1-CB 4.39Å; L364-L380 HydrophobicContact CD1-CD1 3.87Å; L364-L400 HydrophobicContact CD2-CD1 4.2Å; L364-L400 HydrophobicContact CD2-CD2 4.48Å
365	N	62.1	Low	60.3	Low	6 Å²	6	52.1 Å²	52.1	3%	0.032	30%	0.301	C	S	.	.	H	α-helix	trans	-89.3	-0.8	-175.3	-62.8	-8	0	0	0	113.2	W361 G367 S368 N379	W361-N365 VanDerWaalsContact O-CB 3.32Å; W361-N365 WeakPolarHBondContact O-CB 3.48Å; W361-N365 PolarHBondContact O-N 2.85Å; N365-G367 PolarHBondContact O-N 2.91Å; N365-S368 WeakPolarHBondContact O-CB 2.97Å; N365-S368 PolarHBondContact O-N 3.25Å; N365-S368 VanDerWaalsContact O-N 3.13Å; N365-N379 VanDerWaalsContact C-ND2 3.25Å; N365-N379 PolarHBondContact O-ND2 3.09Å
366	S	62.3	Low	58.9	Low	52 Å²	52	50.7 Å²	50.7	36%	0.364	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	34.7	-176.1	-46.2	0	0	0	0	112.9	D362 L364 N379 R383	D362-S366 WeakPolarHBondContact O-CA 3.25Å; D362-S366 PolarHBondContact O-N 2.91Å; L364-S366 VanDerWaalsContact C-N 3.35Å; S366-N379 PolarHBondContact OG-ND2 3.26Å; S366-N379 VanDerWaalsContact OG-ND2 3.14Å; S366-R383 PolarHBondContact OG-NH2 3.37Å
367	G	54.8	Low	57.6	Low	55 Å²	55	56.8 Å²	56.8	57%	0.567	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	3.7	-177.8	0	0	0	0	0	116.5	D362 N365 A369	D362-G367 PolarHBondContact O-N 3.01Å; N365-G367 PolarHBondContact O-N 2.91Å; G367-A369 PolarHBondContact O-N 3.29Å
368	S	52.6	Low	56.6	Low	44 Å²	44	61.5 Å²	61.5	31%	0.308	33%	0.334	S	S	.	.			trans	-64.6	126.4	170.5	-178.8	0	0	0	0	110.9	N365 D370	N365-S368 WeakPolarHBondContact O-CB 2.97Å; N365-S368 PolarHBondContact O-N 3.25Å; N365-S368 VanDerWaalsContact O-N 3.13Å; S368-D370 VanDerWaalsContact C-N 3.31Å; S368-D370 PolarHBondContact O-N 3.49Å; S368-D370 PolarHBondContact OG-O 3.17Å
369	A	51	Low	55.7	Low	98 Å²	98	55.8 Å²	55.8	81%	0.81	32%	0.315	S	S	*	.	S	Bend	trans	-66.9	-33.3	178.7	0	0	0	0	0	112.4	G367 R371	G367-A369 PolarHBondContact O-N 3.29Å; A369-R371 PolarHBondContact O-N 3.06Å
370	D	48.3	Very low	54.6	Low	121 Å²	121	56.1 Å²	56.1	65%	0.647	32%	0.317	S	S	*	.	S	Bend	trans	-72.6	118.5	174.1	-66.4	-40.5	0	0	0	109.7	S368 D372	S368-D370 VanDerWaalsContact C-N 3.31Å; S368-D370 PolarHBondContact O-N 3.49Å; S368-D370 PolarHBondContact OG-O 3.17Å; D370-D372 PolarHBondContact O-N 3.29Å
371	R	46.8	Very low	53.5	Low	140 Å²	140	59.4 Å²	59.4	53%	0.528	35%	0.345	S	S	.	.			trans	-74.9	48.8	175.4	-63.1	-175.7	178.6	-154.9	-4.3	111.6	E357 A369 V373	E357-R371 IonicContact OE1-CZ 3.63Å; E357-R371 IonicContact OE1-NH1 3.64Å; E357-R371 PolarHBondContact OE1-NH1 3.4Å; E357-R371 IonicContact OE1-NH2 3.5Å; A369-R371 PolarHBondContact O-N 3.06Å; R371-V373 PolarHBondContact O-N 2.98Å
372	D	47.7	Very low	52.6	Low	82 Å²	82	62.3 Å²	62.3	44%	0.439	37%	0.373	S	S	.	.			trans	-72.8	117.2	179.2	-173.7	-35.2	0	0	0	110.3	D370 G374 I375 A376	D370-D372 PolarHBondContact O-N 3.29Å; D372-G374 VanDerWaalsContact C-N 3.29Å; D372-G374 PolarHBondContact O-N 2.89Å; D372-G374 WeakPolarHBondContact OD1-CA 3.38Å; D372-G374 PolarHBondContact OD1-N 3.28Å; D372-I375 HydrophobicContact CB-CB 4.12Å; D372-I375 HydrophobicContact CB-CD1 3.91Å; D372-I375 HydrophobicContact CB-CG1 3.92Å; D372-I375 PolarHBondContact O-N 3.04Å; D372-I375 PolarHBondContact OD1-N 3.11Å; D372-A376 WeakPolarHBondContact O-CB 3.47Å; D372-A376 PolarHBondContact O-N 3.42Å
373	V	45.5	Very low	51.6	Low	44 Å²	44	61.4 Å²	61.4	27%	0.267	37%	0.366	S	S	.	.	H	α-helix	trans	-66.2	-30.2	-178	-176.1	0	0	0	0	112	R371 A376 W377 F405	R371-V373 PolarHBondContact O-N 2.98Å; V373-A376 PolarHBondContact O-N 3.28Å; V373-W377 WeakPolarHBondContact O-CB 3.31Å; V373-W377 PolarHBondContact O-N 3.1Å; V373-F405 HydrophobicContact CG2-CD1 3.98Å; V373-F405 HydrophobicContact CG2-CE1 4.27Å
374	G	48.3	Very low	50.2	Low	46 Å²	46	65.6 Å²	65.6	47%	0.474	40%	0.397	S	S	.	.	H	α-helix	trans	-68.3	-41	174.1	0	0	0	0	0	111.9	D372 K378	D372-G374 VanDerWaalsContact C-N 3.29Å; D372-G374 PolarHBondContact O-N 2.89Å; D372-G374 WeakPolarHBondContact OD1-CA 3.38Å; D372-G374 PolarHBondContact OD1-N 3.28Å; G374-K378 VanDerWaalsContact O-CB 3.24Å; G374-K378 WeakPolarHBondContact O-CB 3.45Å; G374-K378 PolarHBondContact O-N 2.83Å
375	I	50.2	Low	49.2	Very low	66 Å²	66	70.5 Å²	70.5	34%	0.338	42%	0.42	S	S	.	.	H	α-helix	trans	-66.6	-44.2	172.9	-61.1	-179.4	0	0	0	110.3	D372 W377 K378 N379	D372-I375 HydrophobicContact CB-CB 4.12Å; D372-I375 HydrophobicContact CB-CD1 3.91Å; D372-I375 HydrophobicContact CB-CG1 3.92Å; D372-I375 PolarHBondContact O-N 3.04Å; D372-I375 PolarHBondContact OD1-N 3.11Å; I375-W377 PolarHBondContact O-N 2.89Å; I375-K378 PolarHBondContact O-N 3.05Å; I375-N379 VanDerWaalsContact O-CB 3.3Å; I375-N379 WeakPolarHBondContact O-CB 3.47Å; I375-N379 PolarHBondContact O-N 3.24Å
376	A	51.1	Low	47.8	Very low	8 Å²	8	71.2 Å²	71.2	7%	0.066	43%	0.427	C	S	.	.	H	α-helix	trans	-56.3	-47.6	176.3	0	0	0	0	0	112.4	L364 D372 V373 N379 L380	L364-A376 HydrophobicContact CD2-CB 3.8Å; L364-A376 HydrophobicContact CG-CB 3.8Å; D372-A376 WeakPolarHBondContact O-CB 3.47Å; D372-A376 PolarHBondContact O-N 3.42Å; V373-A376 PolarHBondContact O-N 3.28Å; A376-N379 PolarHBondContact O-N 3.39Å; A376-L380 WeakPolarHBondContact O-CB 3.5Å; A376-L380 PolarHBondContact O-N 3.14Å
377	W	46.5	Very low	46.3	Very low	129 Å²	129	71.8 Å²	71.8	49%	0.489	44%	0.441	S	S	.	.	H	α-helix	trans	-67	-44.7	177.5	-172.6	-107	0	0	0	112.3	V373 I375 N379 L380 A381 A397 W406	V373-W377 WeakPolarHBondContact O-CB 3.31Å; V373-W377 PolarHBondContact O-N 3.1Å; I375-W377 PolarHBondContact O-N 2.89Å; W377-N379 VanDerWaalsContact C-N 3.28Å; W377-N379 PolarHBondContact O-N 3.07Å; W377-L380 HydrophobicContact CE3-CD2 4.07Å; W377-L380 HydrophobicContact CZ3-CD2 3.91Å; W377-L380 PolarHBondContact O-N 3.26Å; W377-A381 WeakPolarHBondContact O-CB 3.34Å; W377-A381 PolarHBondContact O-N 3.06Å; W377-A397 HydrophobicContact CH2-CB 4.4Å; W377-A397 HydrophobicContact CZ3-CB 4.01Å; W377-W406 HydrophobicContact CD2-CZ2 4.47Å; W377-W406 HydrophobicContact CE3-CH2 4.31Å; W377-W406 AromaticContact CE3-CZ2 3.66Å; W377-W406 HydrophobicContact CE3-CZ2 3.66Å; W377-W406 HydrophobicContact CZ3-CH2 4.01Å; W377-W406 AromaticContact CZ3-CZ2 3.75Å; W377-W406 HydrophobicContact CZ3-CZ2 3.75Å
378	K	48	Very low	45.2	Very low	155 Å²	155	76.3 Å²	76.3	67%	0.674	45%	0.451	S	S	*	.	H	α-helix	trans	-60	-39.2	175.9	-172.1	177.7	-178.7	-179.1	0	111.5	G374 I375 A382	G374-K378 VanDerWaalsContact O-CB 3.24Å; G374-K378 WeakPolarHBondContact O-CB 3.45Å; G374-K378 PolarHBondContact O-N 2.83Å; I375-K378 PolarHBondContact O-N 3.05Å; K378-A382 WeakPolarHBondContact O-CB 3.02Å; K378-A382 PolarHBondContact O-N 2.94Å
379	N	52.3	Low	44.5	Very low	32 Å²	32	79.6 Å²	79.6	17%	0.171	46%	0.46	C	S	.	.	H	α-helix	trans	-68.7	-40.6	175	-74.8	-8.6	0	0	0	112.6	L364 N365 S366 I375 A376 W377 R383	L364-N379 WeakPolarHBondContact O-CB 3.34Å; L364-N379 PolarHBondContact O-ND2 2.9Å; N365-N379 VanDerWaalsContact C-ND2 3.25Å; N365-N379 PolarHBondContact O-ND2 3.09Å; S366-N379 PolarHBondContact OG-ND2 3.26Å; S366-N379 VanDerWaalsContact OG-ND2 3.14Å; I375-N379 VanDerWaalsContact O-CB 3.3Å; I375-N379 WeakPolarHBondContact O-CB 3.47Å; I375-N379 PolarHBondContact O-N 3.24Å; A376-N379 PolarHBondContact O-N 3.39Å; W377-N379 VanDerWaalsContact C-N 3.28Å; W377-N379 PolarHBondContact O-N 3.07Å; N379-R383 WeakPolarHBondContact O-CD 3.3Å; N379-R383 VanDerWaalsContact O-CG 3.22Å; N379-R383 WeakPolarHBondContact O-CG 3.37Å; N379-R383 PolarHBondContact O-N 3.33Å
380	L	50.4	Low	43.5	Very low	9 Å²	9	78.7 Å²	78.7	5%	0.047	45%	0.446	C	S	.	.	H	α-helix	trans	-60.7	-47	175.7	-166.7	88.8	0	0	0	110.5	W363 L364 A376 W377 R383 M396	W363-L380 HydrophobicContact CH2-CD1 3.91Å; W363-L380 HydrophobicContact CZ3-CD1 3.91Å; L364-L380 HydrophobicContact CD1-CB 4.39Å; L364-L380 HydrophobicContact CD1-CD1 3.87Å; A376-L380 WeakPolarHBondContact O-CB 3.5Å; A376-L380 PolarHBondContact O-N 3.14Å; W377-L380 HydrophobicContact CE3-CD2 4.07Å; W377-L380 HydrophobicContact CZ3-CD2 3.91Å; W377-L380 PolarHBondContact O-N 3.26Å; L380-R383 PolarHBondContact O-N 3.29Å; L380-M396 HydrophobicContact CD1-CE 4.45Å; L380-M396 HydrophobicContact CD1-SD 4.36Å
381	A	45.8	Very low	42.9	Very low	76 Å²	76	79.1 Å²	79.1	63%	0.628	45%	0.448	S	S	*	.	H	α-helix	trans	-70.6	-37	178.8	0	0	0	0	0	113.2	W377 R383	W377-A381 WeakPolarHBondContact O-CB 3.34Å; W377-A381 PolarHBondContact O-N 3.06Å; A381-R383 PolarHBondContact O-N 3.25Å
382	A	44.1	Very low	42.4	Very low	80 Å²	80	75 Å²	75	66%	0.661	44%	0.44	S	S	*	.	H	α-helix	trans	-74.1	-9.9	177.9	0	0	0	0	0	113.7	K378 S384	K378-A382 WeakPolarHBondContact O-CB 3.02Å; K378-A382 PolarHBondContact O-N 2.94Å; A382-S384 PolarHBondContact O-N 3.28Å
383	R	47.7	Very low	41.8	Very low	32 Å²	32	72 Å²	72	12%	0.121	43%	0.426	C	S	.	.			trans	-78.9	104.1	174.9	-81.6	165.7	-171.6	-151.5	-0.4	110.3	L337 W363 S366 N379 L380 A381 Q385 A386	L337-R383 VanDerWaalsContact CD2-NH2 3.27Å; W363-R383 PolarHBondContact O-NH1 3.43Å; W363-R383 PolarHBondContact O-NH2 2.82Å; S366-R383 PolarHBondContact OG-NH2 3.37Å; N379-R383 WeakPolarHBondContact O-CD 3.3Å; N379-R383 VanDerWaalsContact O-CG 3.22Å; N379-R383 WeakPolarHBondContact O-CG 3.37Å; N379-R383 PolarHBondContact O-N 3.33Å; L380-R383 PolarHBondContact O-N 3.29Å; A381-R383 PolarHBondContact O-N 3.25Å; R383-Q385 PolarHBondContact O-N 2.85Å; R383-A386 HydrophobicContact CB-CB 4.39Å; R383-A386 WeakPolarHBondContact O-CB 3.22Å; R383-A386 PolarHBondContact O-N 3.01Å
384	S	38.6	Very low	41.4	Very low	100 Å²	100	73.2 Å²	73.2	70%	0.699	43%	0.431	S	S	*	.	H	α-helix	trans	-46.6	-33.2	174.8	53.3	0	0	0	0	114.3	A382 G387	A382-S384 PolarHBondContact O-N 3.28Å; S384-G387 PolarHBondContact O-N 3.35Å
385	Q	38.8	Very low	41	Very low	106 Å²	106	75.9 Å²	75.9	50%	0.495	43%	0.432	S	S	.	.	H	α-helix	trans	-73.2	-21	176.9	-67.1	-172.2	-8.2	0	0	114.7	R383	R383-Q385 PolarHBondContact O-N 2.85Å
386	A	33.3	Very low	40.5	Very low	20 Å²	20	73.7 Å²	73.7	17%	0.165	42%	0.421	C	S	.	.	H	α-helix	trans	-75.7	-38.9	172.5	0	0	0	0	0	111.1	R383 L388 K389 A393	R383-A386 HydrophobicContact CB-CB 4.39Å; R383-A386 WeakPolarHBondContact O-CB 3.22Å; R383-A386 PolarHBondContact O-N 3.01Å; A386-L388 PolarHBondContact O-N 2.93Å; A386-K389 CarbonylContact O-C 3.5Å; A386-K389 VanDerWaalsContact O-C 3.28Å; A386-K389 PolarHBondContact O-N 3.05Å; A386-A393 HydrophobicContact CB-CB 4.24Å
387	G	29.8	Very low	40	Very low	64 Å²	64	74.1 Å²	74.1	66%	0.66	42%	0.424	S	S	*	.	H	α-helix	trans	-62	-26	176.7	0	0	0	0	0	114.4	S384	S384-G387 PolarHBondContact O-N 3.35Å
388	L	33.3	Very low	39.7	Very low	151 Å²	151	70.3 Å²	70.3	79%	0.791	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-2	174.6	-65.3	174.1	0	0	0	113.9	A386	A386-L388 PolarHBondContact O-N 2.93Å
389	K	36.3	Very low	39.2	Very low	112 Å²	112	64.2 Å²	64.2	49%	0.487	39%	0.394	S	S	.	.			trans	-139.5	67.8	178.8	-64.3	-170.6	177.7	-171.3	0	111.5	A386 L391 S392	A386-K389 CarbonylContact O-C 3.5Å; A386-K389 VanDerWaalsContact O-C 3.28Å; A386-K389 PolarHBondContact O-N 3.05Å; K389-L391 VanDerWaalsContact C-N 3.28Å; K389-L391 PolarHBondContact O-N 2.91Å; K389-L391 VanDerWaalsContact O-N 3.16Å; K389-S392 PolarHBondContact O-N 3.33Å
390	P	31.6	Very low	38.7	Very low	80 Å²	80	63.5 Å²	63.5	52%	0.519	39%	0.39	S	S	.	.	H	α-helix	trans	-54.1	-41.6	-171.9	-26.3	34.7	0	0	0	113.5	S392 A393 I394	P390-S392 VanDerWaalsContact C-N 3.32Å; P390-S392 PolarHBondContact O-N 3.44Å; P390-A393 WeakPolarHBondContact O-CB 3.36Å; P390-A393 PolarHBondContact O-N 3.19Å; P390-A393 VanDerWaalsContact O-N 3.12Å; P390-I394 HydrophobicContact CB-CD1 4.23Å; P390-I394 WeakPolarHBondContact O-CB 3.41Å; P390-I394 VanDerWaalsContact O-CG1 3.25Å; P390-I394 WeakPolarHBondContact O-CG1 3.39Å; P390-I394 PolarHBondContact O-N 3.5Å
391	L	34.2	Very low	38.1	Very low	130 Å²	130	69.9 Å²	69.9	68%	0.681	42%	0.418	S	S	*	.	H	α-helix	trans	-56.9	-41.8	-177	-133.8	84.4	0	0	0	113.1	K389 I394 M395	K389-L391 VanDerWaalsContact C-N 3.28Å; K389-L391 PolarHBondContact O-N 2.91Å; K389-L391 VanDerWaalsContact O-N 3.16Å; L391-I394 PolarHBondContact O-N 2.87Å; L391-M395 WeakPolarHBondContact O-CB 3.25Å; L391-M395 WeakPolarHBondContact O-CG 3.14Å; L391-M395 PolarHBondContact O-N 3.12Å
392	S	36.2	Very low	37.7	Very low	53 Å²	53	70 Å²	70	37%	0.371	41%	0.411	S	S	.	.	H	α-helix	trans	-68.8	-38.9	179.5	-54.4	0	0	0	0	111.6	K389 P390 M396	K389-S392 PolarHBondContact O-N 3.33Å; P390-S392 VanDerWaalsContact C-N 3.32Å; P390-S392 PolarHBondContact O-N 3.44Å; S392-M396 WeakPolarHBondContact O-CB 3.3Å; S392-M396 WeakPolarHBondContact O-CE 3.33Å; S392-M396 WeakPolarHBondContact O-CG 3.33Å; S392-M396 PolarHBondContact O-N 2.94Å
393	A	36.5	Very low	37.4	Very low	18 Å²	18	69.4 Å²	69.4	15%	0.149	39%	0.391	C	S	.	.	H	α-helix	trans	-65.8	-42.8	174.5	0	0	0	0	0	111.6	A386 P390 M396 A397	A386-A393 HydrophobicContact CB-CB 4.24Å; P390-A393 WeakPolarHBondContact O-CB 3.36Å; P390-A393 PolarHBondContact O-N 3.19Å; P390-A393 VanDerWaalsContact O-N 3.12Å; A393-M396 PolarHBondContact O-N 3.34Å; A393-A397 VanDerWaalsContact O-CB 3.3Å; A393-A397 WeakPolarHBondContact O-CB 3.48Å; A393-A397 PolarHBondContact O-N 3.06Å
394	I	36.8	Very low	36.9	Very low	70 Å²	70	75 Å²	75	36%	0.359	42%	0.417	S	S	.	.	H	α-helix	trans	-63.5	-45.4	176.9	-68.4	163.6	0	0	0	111	P390 L391 A397 A398	P390-I394 HydrophobicContact CB-CD1 4.23Å; P390-I394 WeakPolarHBondContact O-CB 3.41Å; P390-I394 VanDerWaalsContact O-CG1 3.25Å; P390-I394 WeakPolarHBondContact O-CG1 3.39Å; P390-I394 PolarHBondContact O-N 3.5Å; L391-I394 PolarHBondContact O-N 2.87Å; I394-A397 PolarHBondContact O-N 2.85Å; I394-A398 WeakPolarHBondContact O-CB 3.47Å; I394-A398 PolarHBondContact O-N 3.4Å
395	M	39.1	Very low	36.7	Very low	102 Å²	102	73.3 Å²	73.3	50%	0.502	40%	0.397	S	S	.	.	H	α-helix	trans	-62	-44	175.9	-76.2	-178.7	67	0	0	112.3	L391 A398 E399	L391-M395 WeakPolarHBondContact O-CB 3.25Å; L391-M395 WeakPolarHBondContact O-CG 3.14Å; L391-M395 PolarHBondContact O-N 3.12Å; M395-A398 PolarHBondContact O-N 2.89Å; M395-E399 PolarHBondContact O-N 2.86Å
396	M	40.5	Very low	36.4	Very low	21 Å²	21	71.8 Å²	71.8	10%	0.103	39%	0.387	C	S	.	.	H	α-helix	trans	-62.7	-44.4	175	-77.6	-176.5	-85	0	0	112	P270 W363 L380 S392 A393 E399 L400	P270-M396 HydrophobicContact CB-CG 4.34Å; P270-M396 HydrophobicContact CB-SD 3.46Å; P270-M396 WeakPolarHBondContact CB-SD 3.25Å; P270-M396 HydrophobicContact CG-SD 3.93Å; W363-M396 HydrophobicContact CH2-CE 3.78Å; W363-M396 HydrophobicContact CH2-SD 3.55Å; W363-M396 VanDerWaalsContact CH2-SD 3.55Å; W363-M396 HydrophobicContact CZ3-CE 4.4Å; W363-M396 HydrophobicContact CZ3-SD 3.56Å; W363-M396 VanDerWaalsContact CZ3-SD 3.56Å; L380-M396 HydrophobicContact CD1-CE 4.45Å; L380-M396 HydrophobicContact CD1-SD 4.36Å; S392-M396 WeakPolarHBondContact O-CB 3.3Å; S392-M396 WeakPolarHBondContact O-CE 3.33Å; S392-M396 WeakPolarHBondContact O-CG 3.33Å; S392-M396 PolarHBondContact O-N 2.94Å; A393-M396 PolarHBondContact O-N 3.34Å; M396-E399 PolarHBondContact O-N 3.27Å; M396-L400 WeakPolarHBondContact O-CG 3.45Å; M396-L400 PolarHBondContact O-N 3.37Å
397	A	40.5	Very low	36.1	Very low	17 Å²	17	75.4 Å²	75.4	14%	0.14	41%	0.409	C	S	.	.	H	α-helix	trans	-62.3	-43.3	177.1	0	0	0	0	0	111.5	W377 A393 I394 E399 L400 F401 W406	W377-A397 HydrophobicContact CH2-CB 4.4Å; W377-A397 HydrophobicContact CZ3-CB 4.01Å; A393-A397 VanDerWaalsContact O-CB 3.3Å; A393-A397 WeakPolarHBondContact O-CB 3.48Å; A393-A397 PolarHBondContact O-N 3.06Å; I394-A397 PolarHBondContact O-N 2.85Å; A397-E399 PolarHBondContact O-N 3.3Å; A397-L400 PolarHBondContact O-N 2.89Å; A397-F401 WeakPolarHBondContact O-CB 3.27Å; A397-F401 PolarHBondContact O-N 2.75Å; A397-W406 HydrophobicContact CB-CH2 4.43Å; A397-W406 WeakPolarHBondContact O-CZ3 3.46Å
398	A	39.4	Very low	36.2	Very low	48 Å²	48	81.9 Å²	81.9	40%	0.397	42%	0.419	S	S	.	.	H	α-helix	trans	-61.2	-43.6	176.9	0	0	0	0	0	112.4	I394 M395 F401 T402	I394-A398 WeakPolarHBondContact O-CB 3.47Å; I394-A398 PolarHBondContact O-N 3.4Å; M395-A398 PolarHBondContact O-N 2.89Å; A398-F401 WeakPolarHBondContact O-CA 3.35Å; A398-F401 WeakPolarHBondContact O-CB 3.42Å; A398-F401 PolarHBondContact O-N 2.85Å; A398-F401 VanDerWaalsContact O-N 3.09Å; A398-T402 WeakPolarHBondContact O-CG2 3.28Å; A398-T402 PolarHBondContact O-N 3.43Å; A398-T402 PolarHBondContact O-OG1 3.41Å
399	E	39.3	Very low	35.8	Very low	27 Å²	27	78.4 Å²	78.4	13%	0.126	41%	0.412	C	S	.	.	H	α-helix	trans	-68.5	-33.5	177	-177.8	60.1	-162.4	0	0	112.5	S278 M395 M396 A397 F401 T402 R403	S278-E399 WeakPolarHBondContact CA-OE1 3.46Å; M395-E399 PolarHBondContact O-N 2.86Å; M396-E399 PolarHBondContact O-N 3.27Å; A397-E399 PolarHBondContact O-N 3.3Å; E399-F401 VanDerWaalsContact C-N 3.3Å; E399-T402 PolarHBondContact O-OG1 2.82Å; E399-R403 WeakPolarHBondContact O-CB 3.26Å; E399-R403 VanDerWaalsContact O-CG 3.26Å; E399-R403 WeakPolarHBondContact O-CG 3.48Å; E399-R403 PolarHBondContact O-N 3.35Å; E399-R403 IonicContact OE1-CZ 2.77Å; E399-R403 IonicContact OE1-NE 3.73Å; E399-R403 PolarHBondContact OE1-NE 3.44Å; E399-R403 IonicContact OE1-NH2 3.98Å; E399-R403 PolarHBondContact OE1-NH2 3.26Å
400	L	39.9	Very low	35.4	Very low	18 Å²	18	80.4 Å²	80.4	9%	0.094	43%	0.427	C	S	.	.	H	α-helix	trans	-65.6	-34.3	168.8	-69.6	169.8	0	0	0	111.5	F360 W361 L364 M396 A397 F405 W406	F360-L400 HydrophobicContact CE1-CD2 4.18Å; F360-L400 HydrophobicContact CZ-CD2 4.27Å; W361-L400 HydrophobicContact CH2-CD2 4.41Å; L364-L400 HydrophobicContact CD2-CD1 4.2Å; L364-L400 HydrophobicContact CD2-CD2 4.48Å; M396-L400 WeakPolarHBondContact O-CG 3.45Å; M396-L400 PolarHBondContact O-N 3.37Å; A397-L400 PolarHBondContact O-N 2.89Å; L400-F405 VanDerWaalsContact O-CB 3.28Å; L400-F405 WeakPolarHBondContact O-CB 3.37Å; L400-F405 PolarHBondContact O-N 3.44Å; L400-W406 HydrophobicContact CB-CH2 3.98Å; L400-W406 HydrophobicContact CB-CZ3 3.77Å
401	F	38	Very low	35.1	Very low	142 Å²	142	82.4 Å²	82.4	62%	0.623	44%	0.44	S	S	*	.	H	α-helix	trans	-71.7	-48.1	-179.6	-137.5	-74.4	0	0	0	111.5	A397 A398 E399 R403 K404 W406	A397-F401 WeakPolarHBondContact O-CB 3.27Å; A397-F401 PolarHBondContact O-N 2.75Å; A398-F401 WeakPolarHBondContact O-CA 3.35Å; A398-F401 WeakPolarHBondContact O-CB 3.42Å; A398-F401 PolarHBondContact O-N 2.85Å; A398-F401 VanDerWaalsContact O-N 3.09Å; E399-F401 VanDerWaalsContact C-N 3.3Å; F401-R403 PolarHBondContact O-N 2.98Å; F401-K404 WeakPolarHBondContact O-CA 3.44Å; F401-K404 PolarHBondContact O-N 2.77Å; F401-W406 HydrophobicContact CB-CE3 4.05Å; F401-W406 HydrophobicContact CB-CZ3 3.72Å; F401-W406 HydrophobicContact CD2-CD2 4.28Å; F401-W406 AromaticContact CD2-CE3 3.35Å; F401-W406 HydrophobicContact CD2-CE3 3.35Å; F401-W406 HydrophobicContact CD2-CH2 4.16Å; F401-W406 AromaticContact CD2-CZ3 3.28Å; F401-W406 HydrophobicContact CD2-CZ3 3.28Å; F401-W406 HydrophobicContact CE2-CD2 4.46Å; F401-W406 AromaticContact CE2-CE3 3.92Å; F401-W406 HydrophobicContact CE2-CE3 3.92Å; F401-W406 HydrophobicContact CE2-CZ3 4.17Å; F401-W406 AromaticContact CG-CE3 3.79Å; F401-W406 HydrophobicContact CG-CE3 3.79Å; F401-W406 AromaticContact CG-CZ3 3.8Å; F401-W406 HydrophobicContact CG-CZ3 3.8Å
402	T	39	Very low	34.8	Very low	79 Å²	79	81.2 Å²	81.2	49%	0.485	44%	0.442	S	S	.	.	H	α-helix	trans	-66.5	-20.1	177.4	58.4	0	0	0	0	113	K279 A398 E399 K404	K279-T402 PolarHBondContact NZ-O 3.07Å; A398-T402 WeakPolarHBondContact O-CG2 3.28Å; A398-T402 PolarHBondContact O-N 3.43Å; A398-T402 PolarHBondContact O-OG1 3.41Å; E399-T402 PolarHBondContact O-OG1 2.82Å; T402-K404 PolarHBondContact O-N 2.95Å
403	R	37.2	Very low	34.4	Very low	67 Å²	67	82.4 Å²	82.4	25%	0.253	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-0.6	168.6	-72.9	-179.9	-170.2	-147.6	7.4	114.3	F273 T277 E399 F401 F405	F273-R403 VanDerWaalsContact CZ-NH1 3.34Å; T277-R403 PolarHBondContact O-NH2 3.03Å; T277-R403 PolarHBondContact OG1-NH2 3.36Å; E399-R403 WeakPolarHBondContact O-CB 3.26Å; E399-R403 VanDerWaalsContact O-CG 3.26Å; E399-R403 WeakPolarHBondContact O-CG 3.48Å; E399-R403 PolarHBondContact O-N 3.35Å; E399-R403 IonicContact OE1-CZ 2.77Å; E399-R403 IonicContact OE1-NE 3.73Å; E399-R403 PolarHBondContact OE1-NE 3.44Å; E399-R403 IonicContact OE1-NH2 3.98Å; E399-R403 PolarHBondContact OE1-NH2 3.26Å; F401-R403 PolarHBondContact O-N 2.98Å; R403-F405 HydrophobicContact CB-CB 4.49Å; R403-F405 HydrophobicContact CB-CD2 4.4Å; R403-F405 PolarHBondContact O-N 3.22Å
404	K	37.6	Very low	34.2	Very low	149 Å²	149	86.1 Å²	86.1	65%	0.648	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	29.5	-173	-57.3	-173.2	176.8	-173.8	0	112.3	F401 T402 W406	F401-K404 WeakPolarHBondContact O-CA 3.44Å; F401-K404 PolarHBondContact O-N 2.77Å; T402-K404 PolarHBondContact O-N 2.95Å; K404-W406 PolarHBondContact O-N 3.43Å
405	F	34.7	Very low	34.2	Very low	66 Å²	66	88.1 Å²	88.1	29%	0.289	52%	0.515	S	S	.	.			trans	-76.6	-5.6	-174.4	-132.4	-79.8	0	0	0	113.7	W361 V373 L400 R403 P407	W361-F405 AromaticContact CH2-CD1 3.96Å; W361-F405 HydrophobicContact CH2-CD1 3.96Å; W361-F405 HydrophobicContact CH2-CD2 4.3Å; W361-F405 AromaticContact CH2-CE1 3.4Å; W361-F405 HydrophobicContact CH2-CE1 3.4Å; W361-F405 AromaticContact CH2-CE2 3.78Å; W361-F405 HydrophobicContact CH2-CE2 3.78Å; W361-F405 HydrophobicContact CH2-CG 4.38Å; W361-F405 AromaticContact CH2-CZ 3.29Å; W361-F405 HydrophobicContact CH2-CZ 3.29Å; W361-F405 HydrophobicContact CZ2-CD2 4.44Å; W361-F405 HydrophobicContact CZ2-CE1 4.04Å; W361-F405 AromaticContact CZ2-CE2 3.65Å; W361-F405 HydrophobicContact CZ2-CE2 3.65Å; W361-F405 AromaticContact CZ2-CZ 3.42Å; W361-F405 HydrophobicContact CZ2-CZ 3.42Å; W361-F405 VanDerWaalsContact CZ2-CZ 3.42Å; W361-F405 HydrophobicContact CZ3-CE1 4.18Å; W361-F405 HydrophobicContact CZ3-CZ 4.35Å; V373-F405 HydrophobicContact CG2-CD1 3.98Å; V373-F405 HydrophobicContact CG2-CE1 4.27Å; L400-F405 VanDerWaalsContact O-CB 3.28Å; L400-F405 WeakPolarHBondContact O-CB 3.37Å; L400-F405 PolarHBondContact O-N 3.44Å; R403-F405 HydrophobicContact CB-CB 4.49Å; R403-F405 HydrophobicContact CB-CD2 4.4Å; R403-F405 PolarHBondContact O-N 3.22Å; F405-P407 WeakPolarHBondContact O-CD 3.24Å
406	W	31.1	Very low	34	Very low	73 Å²	73	88 Å²	88	28%	0.277	52%	0.524	S	S	.	.	S	Bend	trans	-96.3	78.5	157.6	-72.8	-81.1	0	0	0	110.4	W377 A397 L400 F401 K404 K408	W377-W406 HydrophobicContact CD2-CZ2 4.47Å; W377-W406 HydrophobicContact CE3-CH2 4.31Å; W377-W406 AromaticContact CE3-CZ2 3.66Å; W377-W406 HydrophobicContact CE3-CZ2 3.66Å; W377-W406 HydrophobicContact CZ3-CH2 4.01Å; W377-W406 AromaticContact CZ3-CZ2 3.75Å; W377-W406 HydrophobicContact CZ3-CZ2 3.75Å; A397-W406 HydrophobicContact CB-CH2 4.43Å; A397-W406 WeakPolarHBondContact O-CZ3 3.46Å; L400-W406 HydrophobicContact CB-CH2 3.98Å; L400-W406 HydrophobicContact CB-CZ3 3.77Å; F401-W406 HydrophobicContact CB-CE3 4.05Å; F401-W406 HydrophobicContact CB-CZ3 3.72Å; F401-W406 HydrophobicContact CD2-CD2 4.28Å; F401-W406 AromaticContact CD2-CE3 3.35Å; F401-W406 HydrophobicContact CD2-CE3 3.35Å; F401-W406 HydrophobicContact CD2-CH2 4.16Å; F401-W406 AromaticContact CD2-CZ3 3.28Å; F401-W406 HydrophobicContact CD2-CZ3 3.28Å; F401-W406 HydrophobicContact CE2-CD2 4.46Å; F401-W406 AromaticContact CE2-CE3 3.92Å; F401-W406 HydrophobicContact CE2-CE3 3.92Å; F401-W406 HydrophobicContact CE2-CZ3 4.17Å; F401-W406 AromaticContact CG-CE3 3.79Å; F401-W406 HydrophobicContact CG-CE3 3.79Å; F401-W406 AromaticContact CG-CZ3 3.8Å; F401-W406 HydrophobicContact CG-CZ3 3.8Å; K404-W406 PolarHBondContact O-N 3.43Å; W406-K408 PolarHBondContact O-N 3.16Å; W406-K408 VanDerWaalsContact O-N 3.07Å
407	P	28.1	Very low	33.6	Very low	97 Å²	97	93.9 Å²	93.9	63%	0.63	56%	0.556	S	S	*	*			trans	-69.8	107.3	172.2	30.1	-34.1	0	0	0	109.5	F405 A409	F405-P407 WeakPolarHBondContact O-CD 3.24Å; P407-A409 VanDerWaalsContact C-N 3.31Å; P407-A409 PolarHBondContact O-N 3.07Å; P407-A409 VanDerWaalsContact O-N 3.14Å
408	K	31.3	Very low	32.9	Very low	199 Å²	199	99.5 Å²	99.5	87%	0.865	59%	0.591	S	S	*	*	S	Bend	trans	58.3	33	159.3	-54.1	-178.7	175.2	-175	0	115.6	W406 L410	W406-K408 PolarHBondContact O-N 3.16Å; W406-K408 VanDerWaalsContact O-N 3.07Å; K408-L410 PolarHBondContact O-N 2.81Å
409	A	25	Very low	32.4	Very low	78 Å²	78	100.5 Å²	100.5	65%	0.645	61%	0.606	S	S	*	*			trans	-85.3	29	179.1	0	0	0	0	0	114.5	P407	P407-A409 VanDerWaalsContact C-N 3.31Å; P407-A409 PolarHBondContact O-N 3.07Å; P407-A409 VanDerWaalsContact O-N 3.14Å
410	L	26.7	Very low	31.7	Very low	155 Å²	155	105.2 Å²	105.2	81%	0.812	64%	0.636	S	S	*	*	S	Bend	trans	-122.8	118.5	151.1	-76.3	173.8	0	0	0	105.9	K408 S412	K408-L410 PolarHBondContact O-N 2.81Å; L410-S412 PolarHBondContact O-N 3.34Å
411	P	25.8	Very low	31.1	Very low	121 Å²	121	110.2 Å²	110.2	79%	0.786	67%	0.668	S	S	*	*			trans	-62.5	126.1	-175.5	25	-32.6	0	0	0	109.1	G413	P411-G413 PolarHBondContact O-N 2.81Å
412	S	28.4	Very low	30.6	Very low	105 Å²	105	108.5 Å²	108.5	73%	0.734	67%	0.665	S	S	*	*			trans	-71.2	77.9	178.7	50.9	0	0	0	0	110.3	L410 S414	L410-S412 PolarHBondContact O-N 3.34Å; S412-S414 PolarHBondContact O-N 3.38Å
413	G	28.5	Very low	30.1	Very low	78 Å²	78	110.8 Å²	110.8	80%	0.804	67%	0.673	S	S	*	*			trans	-74.7	39.6	-178.8	0	0	0	0	0	115	P411	P411-G413 PolarHBondContact O-N 2.81Å
414	S	32	Very low	29.6	Very low	97 Å²	97	113 Å²	113	68%	0.678	69%	0.69	S	S	*	*	S	Bend	trans	-172.6	129	161.3	44.7	0	0	0	0	109.6	S412 S416	S412-S414 PolarHBondContact O-N 3.38Å; S414-S416 PolarHBondContact O-N 3.26Å
415	A	36.7	Very low	29	Very low	112 Å²	112	112.8 Å²	112.8	93%	0.926	70%	0.696	S	S	*	*			trans	-94.4	73.8	-173.4	0	0	0	0	0	112.1
416	S	33.7	Very low	28.7	Very low	99 Å²	99	118.9 Å²	118.9	69%	0.692	72%	0.723	S	S	*	*	S	Bend	trans	-160.6	109.9	164.7	52.8	0	0	0	0	109.8	S414	S414-S416 PolarHBondContact O-N 3.26Å
417	D	32.4	Very low	28.4	Very low	144 Å²	144	118.9 Å²	118.9	77%	0.77	74%	0.739	S	S	*	*			trans	54.2	97.7	-176.5	-78.3	-43.9	0	0	0	117.9	G419	D417-G419 PolarHBondContact O-N 2.89Å
418	P	27.3	Very low	28.2	Very low	135 Å²	135	119.7 Å²	119.7	88%	0.877	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	43.5	-175.5	37	-38.6	0	0	0	113.4
419	G	27.1	Very low	27.9	Very low	69 Å²	69	119 Å²	119	71%	0.711	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.1	-10.5	-165.7	0	0	0	0	0	118.2	D417	D417-G419 PolarHBondContact O-N 2.89Å
420	V	26.3	Very low	27.8	Very low	126 Å²	126	123.1 Å²	123.1	76%	0.764	75%	0.75	S	S	*	*			trans	-120.5	117.1	-172.3	-173.3	0	0	0	0	111.2
421	V	26.4	Very low	27.8	Very low	124 Å²	124	120.4 Å²	120.4	75%	0.752	74%	0.744	S	S	*	*			trans	-97.9	114.4	165.6	176.5	0	0	0	0	106.9	L423	V421-L423 HydrophobicContact CG1-CD2 4.33Å; V421-L423 PolarHBondContact O-N 3.29Å
422	D	26.7	Very low	27.6	Very low	105 Å²	105	119.1 Å²	119.1	56%	0.561	74%	0.744	S	S	*	*			trans	-80.9	107.2	175.8	-168.9	-12.7	0	0	0	110	N424	D422-N424 VanDerWaalsContact C-N 3.27Å; D422-N424 PolarHBondContact O-N 3.27Å; D422-N424 VanDerWaalsContact OD1-CB 3.3Å; D422-N424 WeakPolarHBondContact OD1-CB 3.24Å; D422-N424 VanDerWaalsContact OD1-CG 3.3Å; D422-N424 PolarHBondContact OD1-N 3.28Å; D422-N424 VanDerWaalsContact OD1-N 3.08Å; D422-N424 PolarHBondContact OD1-ND2 3.14Å
423	L	28.2	Very low	27.3	Very low	127 Å²	127	119.6 Å²	119.6	67%	0.665	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-78.2	-6.4	-177.1	-70.4	168.4	0	0	0	113.5	V421 N425 F426	V421-L423 HydrophobicContact CG1-CD2 4.33Å; V421-L423 PolarHBondContact O-N 3.29Å; L423-N425 PolarHBondContact O-N 3.42Å; L423-N425 VanDerWaalsContact O-N 3.08Å; L423-F426 PolarHBondContact O-N 3.43Å; L423-F426 VanDerWaalsContact O-N 3.14Å
424	N	26.7	Very low	27	Very low	115 Å²	115	121.3 Å²	121.3	62%	0.615	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-59.1	-25.3	-176.7	-73.5	-53.5	0	0	0	113.8	D422 F426 A427	D422-N424 VanDerWaalsContact C-N 3.27Å; D422-N424 PolarHBondContact O-N 3.27Å; D422-N424 VanDerWaalsContact OD1-CB 3.3Å; D422-N424 WeakPolarHBondContact OD1-CB 3.24Å; D422-N424 VanDerWaalsContact OD1-CG 3.3Å; D422-N424 PolarHBondContact OD1-N 3.28Å; D422-N424 VanDerWaalsContact OD1-N 3.08Å; D422-N424 PolarHBondContact OD1-ND2 3.14Å; N424-F426 PolarHBondContact O-N 3.25Å; N424-A427 PolarHBondContact O-N 2.92Å
425	N	26.6	Very low	26.5	Very low	144 Å²	144	125 Å²	125	77%	0.77	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-69.2	-10.9	178.9	-80.8	-26	0	0	0	115.1	L423	L423-N425 PolarHBondContact O-N 3.42Å; L423-N425 VanDerWaalsContact O-N 3.08Å
426	F	27	Very low	26.1	Very low	193 Å²	193	126.6 Å²	126.6	85%	0.846	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-94.1	-12.5	178.8	-84.6	-83.5	0	0	0	114.5	L423 N424	L423-F426 PolarHBondContact O-N 3.43Å; L423-F426 VanDerWaalsContact O-N 3.14Å; N424-F426 PolarHBondContact O-N 3.25Å
427	A	25.7	Very low	25.7	Very low	74 Å²	74	125.1 Å²	125.1	61%	0.612	74%	0.737	S	S	*	*	S	Bend	trans	-100.1	-5.3	-167.7	0	0	0	0	0	115.8	N424 K429	N424-A427 PolarHBondContact O-N 2.92Å; A427-K429 PolarHBondContact O-N 2.75Å
428	T	24.7	Very low	25.4	Very low	114 Å²	114	127.5 Å²	127.5	70%	0.699	74%	0.74	S	S	*	*			trans	-102.7	36.4	-163.4	64.8	0	0	0	0	115.6
429	K	24	Very low	25.4	Very low	184 Å²	184	127 Å²	127	80%	0.8	74%	0.74	S	S	*	*	S	Bend	trans	-135.7	137.5	161.4	-71.8	-169.6	176.5	-177.7	0	110	A427	A427-K429 PolarHBondContact O-N 2.75Å
430	D	24.1	Very low	25.4	Very low	165 Å²	165	131.1 Å²	131.1	88%	0.882	74%	0.744	S	S	*	*			trans	83.1	22.2	169.5	-46	-20.9	0	0	0	118.2	A432	D430-A432 PolarHBondContact O-N 3.43Å
431	S	24.9	Very low	25.3	Very low	98 Å²	98	130 Å²	130	69%	0.685	74%	0.742	S	S	*	*			trans	-90	89.5	161.6	65.7	0	0	0	0	111.6	T433	S431-T433 PolarHBondContact O-N 2.89Å
432	A	22.2	Very low	25.6	Very low	94 Å²	94	132.6 Å²	132.6	78%	0.777	75%	0.746	S	S	*	*			trans	-71	108.9	169.2	0	0	0	0	0	110	D430 V434	D430-A432 PolarHBondContact O-N 3.43Å; A432-V434 PolarHBondContact O-N 3.18Å; A432-V434 VanDerWaalsContact O-N 3.16Å
433	T	22.9	Very low	25.7	Very low	115 Å²	115	134.5 Å²	134.5	71%	0.706	76%	0.756	S	S	*	*			trans	-75.3	99.6	179.3	44.5	0	0	0	0	111.3	S431	S431-T433 PolarHBondContact O-N 2.89Å
434	V	22.6	Very low	25.9	Very low	114 Å²	114	132.3 Å²	132.3	69%	0.691	76%	0.757	S	S	*	*			trans	-79.7	121.7	164.8	-178.2	0	0	0	0	108.4	A432 D436	A432-V434 PolarHBondContact O-N 3.18Å; A432-V434 VanDerWaalsContact O-N 3.16Å; V434-D436 PolarHBondContact O-N 2.87Å
435	H	21.3	Very low	26.4	Very low	175 Å²	175	131.1 Å²	131.1	81%	0.81	75%	0.746	S	S	*	*			trans	-94.3	77.8	-179.9	-86.5	-66.7	0	0	0	111	G437	H435-G437 PolarHBondContact O-N 3.2Å
436	D	28.2	Very low	27	Very low	145 Å²	145	127.9 Å²	127.9	78%	0.775	73%	0.728	S	S	*	*			trans	-76.9	88.2	174.5	-72.1	-28.8	0	0	0	111.3	V434 F438	V434-D436 PolarHBondContact O-N 2.87Å; D436-F438 VanDerWaalsContact C-N 3.3Å; D436-F438 PolarHBondContact O-N 2.88Å; D436-F438 VanDerWaalsContact O-N 3.09Å
437	G	24.7	Very low	27.7	Very low	68 Å²	68	121.7 Å²	121.7	70%	0.701	71%	0.706	S	S	*	*			trans	-81.4	56.7	-179.9	0	0	0	0	0	114.6	H435	H435-G437 PolarHBondContact O-N 3.2Å
438	F	26.8	Very low	28.6	Very low	194 Å²	194	123 Å²	123	85%	0.851	70%	0.7	S	S	*	*			trans	-131.2	113.4	168.2	-81.7	-81.7	0	0	0	111.7	D436 I440	D436-F438 VanDerWaalsContact C-N 3.3Å; D436-F438 PolarHBondContact O-N 2.88Å; D436-F438 VanDerWaalsContact O-N 3.09Å; F438-I440 PolarHBondContact O-N 2.93Å; F438-I440 VanDerWaalsContact O-N 3.12Å
439	S	26.1	Very low	29.6	Very low	125 Å²	125	120.6 Å²	120.6	87%	0.874	68%	0.68	S	S	*	*			trans	-71	103.9	177.6	54.3	0	0	0	0	110.7	S441	S439-S441 PolarHBondContact O-N 2.96Å
440	I	26.7	Very low	30.8	Very low	155 Å²	155	116 Å²	116	80%	0.795	67%	0.667	S	S	*	*			trans	-62.8	117	176.2	-61.4	168.6	0	0	0	109	F438 E442	F438-I440 PolarHBondContact O-N 2.93Å; F438-I440 VanDerWaalsContact O-N 3.12Å; I440-E442 PolarHBondContact O-N 3.46Å
441	S	26.1	Very low	31.9	Very low	103 Å²	103	108.7 Å²	108.7	72%	0.72	63%	0.629	S	S	*	*			trans	-72.2	111	170.5	176.4	0	0	0	0	109.1	S439 N443	S439-S441 PolarHBondContact O-N 2.96Å; S441-N443 PolarHBondContact O-N 3.17Å
442	E	32.1	Very low	33.2	Very low	178 Å²	178	111.9 Å²	111.9	83%	0.832	63%	0.633	S	S	*	*	S	Bend	trans	-65.8	-8.7	-171.9	-66.7	-177.1	135.9	0	0	115.1	I440	I440-E442 PolarHBondContact O-N 3.46Å
443	N	29.2	Very low	34.5	Very low	144 Å²	144	108.8 Å²	108.8	77%	0.77	60%	0.603	S	S	*	*	S	Bend	trans	-131.2	71	-168.2	-69.9	-67.6	0	0	0	114	S441	S441-N443 PolarHBondContact O-N 3.17Å
444	A	31.2	Very low	35.8	Very low	82 Å²	82	105.4 Å²	105.4	68%	0.678	58%	0.583	S	S	*	*			trans	-167.8	132.7	144.8	0	0	0	0	0	110.4
445	K	38.1	Very low	37.3	Very low	89 Å²	89	107.7 Å²	107.7	39%	0.387	59%	0.591	S	S	.	*	S	Bend	trans	-58.9	141.5	164.8	-69.4	170.4	165.8	-179.8	0	109.1	E631 T632 L634	K445-E631 PolarHBondContact NZ-O 3.22Å; K445-T632 PolarHBondContact NZ-O 3.45Å; K445-L634 WeakPolarHBondContact CE-O 3.47Å; K445-L634 PolarHBondContact NZ-O 2.88Å
446	L	39.4	Very low	39	Very low	77 Å²	77	101.9 Å²	101.9	40%	0.403	57%	0.565	S	S	.	*	S	Bend	trans	80.5	98.8	-172.8	-50.4	158.6	0	0	0	113	E448 K584	L446-E448 PolarHBondContact O-N 3Å; L446-K584 HydrophobicContact CD1-CD 4.22Å; L446-K584 HydrophobicContact CD2-CB 3.72Å; L446-K584 HydrophobicContact CD2-CD 4Å; L446-K584 HydrophobicContact CD2-CG 3.9Å
447	T	41.2	Very low	40.4	Very low	63 Å²	63	103.2 Å²	103.2	39%	0.387	57%	0.567	S	S	.	*			trans	-77.1	96.4	164.1	-41.6	0	0	0	0	108.4	H449	T447-H449 WeakPolarHBondContact CB-NE2 3.47Å; T447-H449 WeakPolarHBondContact CG2-NE2 3.29Å; T447-H449 PolarHBondContact O-CD2 3.27Å; T447-H449 PolarHBondContact O-N 2.82Å
448	E	44.3	Very low	42.2	Very low	101 Å²	101	102.6 Å²	102.6	47%	0.472	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-67.3	100.6	173.9	-57.4	-161.5	148.2	0	0	109.5	L446 R510 L582	L446-E448 PolarHBondContact O-N 3Å; E448-R510 IonicContact OE1-NH2 3.53Å; E448-L582 HydrophobicContact CB-CD1 4.42Å; E448-L582 HydrophobicContact CB-CD2 4.26Å; E448-L582 HydrophobicContact CB-CG 4.11Å; E448-L582 HydrophobicContact CG-CD1 4.28Å; E448-L582 HydrophobicContact CG-CD2 3.88Å; E448-L582 HydrophobicContact CG-CG 4.16Å
449	H	45.2	Very low	43.8	Very low	63 Å²	63	96 Å²	96	29%	0.292	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	113.3	163.5	-62.5	-88.3	0	0	0	107.6	T447 L582 I583 R585	T447-H449 WeakPolarHBondContact CB-NE2 3.47Å; T447-H449 WeakPolarHBondContact CG2-NE2 3.29Å; T447-H449 PolarHBondContact O-CD2 3.27Å; T447-H449 PolarHBondContact O-N 2.82Å; H449-L582 WeakPolarHBondContact O-CA 3.08Å; H449-I583 HydrophobicContact CB-CB 4.07Å; H449-I583 HydrophobicContact CB-CD1 4.1Å; H449-I583 HydrophobicContact CB-CG1 4.11Å; H449-I583 PolarHBondContact O-N 3.26Å; H449-R585 WeakPolarHBondContact NE2-CD 3.05Å; H449-R585 PolarHBondContact NE2-NE 3.37Å; H449-R585 PolarHBondContact NE2-NH1 3.38Å
450	V	49.2	Very low	45.6	Very low	87 Å²	87	96.5 Å²	96.5	53%	0.527	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	111	163.1	173.7	0	0	0	0	106.3	E452	V450-E452 HydrophobicContact CG1-CG 4.43Å
451	V	48	Very low	47.6	Very low	12 Å²	12	91.1 Å²	91.1	7%	0.073	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	108.2	172.4	-167	0	0	0	0	107.5	W495 L499 A581 I583	V451-W495 HydrophobicContact CB-CE3 3.98Å; V451-W495 HydrophobicContact CB-CZ3 3.67Å; V451-W495 HydrophobicContact CG1-CE3 3.45Å; V451-W495 VanDerWaalsContact CG1-CE3 3.45Å; V451-W495 HydrophobicContact CG1-CZ3 3.64Å; V451-L499 HydrophobicContact CG1-CD2 4.05Å; V451-L499 HydrophobicContact CG2-CD2 3.63Å; V451-A581 PolarHBondContact N-O 3.37Å; V451-I583 HydrophobicContact CG2-CD1 3.96Å; V451-I583 HydrophobicContact CG2-CG1 4.37Å
452	E	50.6	Low	49.7	Very low	165 Å²	165	88 Å²	88	77%	0.771	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-70	135.3	169.4	-66.2	-176	152.5	0	0	108.5	V450	V450-E452 HydrophobicContact CG1-CG 4.43Å
453	M	50.2	Low	51.4	Low	30 Å²	30	80.1 Å²	80.1	15%	0.148	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-62.2	146.9	176.1	-81.4	-70.8	172	0	0	110.2	L464 L480 T493 W495	M453-L464 HydrophobicContact CE-CD1 3.64Å; M453-L464 HydrophobicContact CE-CD2 4.12Å; M453-L464 HydrophobicContact CG-CD1 4.08Å; M453-L464 HydrophobicContact SD-CD1 4.24Å; M453-L480 HydrophobicContact CE-CD2 4.15Å; M453-T493 HydrophobicContact CE-CG2 3.6Å; M453-T493 HydrophobicContact SD-CG2 3.44Å; M453-T493 WeakPolarHBondContact SD-CG2 3.48Å; M453-W495 HydrophobicContact CE-CD2 4.46Å; M453-W495 HydrophobicContact CE-CE3 4.23Å; M453-W495 HydrophobicContact CE-CH2 3.27Å; M453-W495 HydrophobicContact CE-CZ2 3.47Å; M453-W495 VanDerWaalsContact CE-CZ2 3.47Å; M453-W495 HydrophobicContact CE-CZ3 3.65Å; M453-W495 HydrophobicContact SD-CE3 4.47Å; M453-W495 HydrophobicContact SD-CH2 4.4Å; M453-W495 HydrophobicContact SD-CZ3 4.2Å
454	P	49.8	Very low	53.4	Low	44 Å²	44	73.3 Å²	73.3	29%	0.286	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-57.8	149.3	-178.8	23.3	-33.6	0	0	0	112.3	I456	P454-I456 HydrophobicContact CB-CG1 4.43Å; P454-I456 HydrophobicContact CG-CD1 3.99Å; P454-I456 HydrophobicContact CG-CG1 4.23Å; P454-I456 PolarHBondContact O-N 2.88Å
455	D	54.5	Low	55.4	Low	161 Å²	161	70.7 Å²	70.7	86%	0.861	37%	0.366	S	S	*	.			trans	-65.8	73.3	178.9	-66.2	-49.5	0	0	0	112	E457	D455-E457 PolarHBondContact O-N 3.48Å
456	I	58.1	Low	57.3	Low	53 Å²	53	66.7 Å²	66.7	27%	0.272	35%	0.348	S	S	.	.			trans	-89.6	96.2	177.5	-60.8	170.8	0	0	0	108.4	P454 P458 C459 W462 L482	P454-I456 HydrophobicContact CB-CG1 4.43Å; P454-I456 HydrophobicContact CG-CD1 3.99Å; P454-I456 HydrophobicContact CG-CG1 4.23Å; P454-I456 PolarHBondContact O-N 2.88Å; I456-P458 CarbonylContact O-C 3.52Å; I456-C459 WeakPolarHBondContact O-CA 3.48Å; I456-C459 PolarHBondContact O-N 3.26Å; I456-C459 PolarHBondContact O-SG 3.35Å; I456-W462 HydrophobicContact CG2-CD2 4.08Å; I456-W462 HydrophobicContact CG2-CG 4.04Å; I456-W462 HydrophobicContact CG2-CZ2 4.26Å; I456-L482 HydrophobicContact CD1-CD1 3.34Å
457	E	56.2	Low	59	Low	173 Å²	173	63.3 Å²	63.3	81%	0.808	33%	0.331	S	S	*	.	S	Bend	trans	-76.2	141.3	173.1	-66.8	-170.5	157.7	0	0	111.6	D455	D455-E457 PolarHBondContact O-N 3.48Å
458	P	62.3	Low	60.7	Low	56 Å²	56	62.1 Å²	62.1	36%	0.364	33%	0.328	S	S	.	.	S	Bend	cis	-82.7	124.9	-7.3	33.7	-34.2	0	0	0	111.4	I456 D460 Q461	I456-P458 CarbonylContact O-C 3.52Å; P458-D460 PolarHBondContact O-N 3.39Å; P458-Q461 HydrophobicContact CG-CB 4.26Å; P458-Q461 HydrophobicContact CG-CG 3.75Å; P458-Q461 VanDerWaalsContact CG-OE1 3.3Å; P458-Q461 PolarHBondContact O-N 3.13Å
459	C	60.5	Low	62.2	Low	55 Å²	55	59.4 Å²	59.4	37%	0.372	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-13.8	-166.2	-45.8	0	0	0	0	115.1	I456	I456-C459 WeakPolarHBondContact O-CA 3.48Å; I456-C459 PolarHBondContact O-N 3.26Å; I456-C459 PolarHBondContact O-SG 3.35Å
460	D	65	Low	63.3	Low	135 Å²	135	60.7 Å²	60.7	72%	0.722	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-14.1	180	58.1	-33.5	0	0	0	114.1	P458	P458-D460 PolarHBondContact O-N 3.39Å
461	Q	68.6	Low	64	Low	43 Å²	43	63.8 Å²	63.8	20%	0.201	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-21.2	178.5	-64.8	-172.9	-14.7	0	0	114.2	P458 N484 Q485 E486	P458-Q461 HydrophobicContact CG-CB 4.26Å; P458-Q461 HydrophobicContact CG-CG 3.75Å; P458-Q461 VanDerWaalsContact CG-OE1 3.3Å; P458-Q461 PolarHBondContact O-N 3.13Å; Q461-N484 PolarHBondContact OE1-ND2 3.24Å; Q461-Q485 PolarHBondContact O-N 3.29Å; Q461-E486 HydrophobicContact CG-CG 4.36Å; Q461-E486 PolarHBondContact NE2-OE2 3.32Å
462	W	69.8	Low	64.8	Low	37 Å²	37	71.4 Å²	71.4	14%	0.14	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.5	-172.9	-64	93	0	0	0	112.2	I456 L482 F483 N484 D489 A491 A576	I456-W462 HydrophobicContact CG2-CD2 4.08Å; I456-W462 HydrophobicContact CG2-CG 4.04Å; I456-W462 HydrophobicContact CG2-CZ2 4.26Å; W462-L482 HydrophobicContact CB-CD2 4.33Å; W462-L482 HydrophobicContact CE3-CB 3.95Å; W462-L482 HydrophobicContact CZ3-CB 4.44Å; W462-F483 WeakPolarHBondContact CA-O 3.3Å; W462-N484 HydrophobicContact CD2-CB 3.99Å; W462-N484 HydrophobicContact CE3-CB 3.76Å; W462-N484 HydrophobicContact CH2-CB 3.84Å; W462-N484 HydrophobicContact CZ2-CB 4.03Å; W462-N484 HydrophobicContact CZ3-CB 3.69Å; W462-D489 HydrophobicContact CH2-CB 4.45Å; W462-A491 HydrophobicContact CE3-CB 4.37Å; W462-A491 HydrophobicContact CH2-CB 3.86Å; W462-A491 HydrophobicContact CZ3-CB 3.52Å; W462-A576 WeakPolarHBondContact O-CB 3.5Å
463	V	68.7	Low	65.4	Low	13 Å²	13	67 Å²	67	8%	0.079	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.6	179.6	-62	0	0	0	0	110.8	L482 F483 Q485 P573	V463-L482 WeakPolarHBondContact O-CA 3.39Å; V463-F483 HydrophobicContact CG2-CB 4.12Å; V463-F483 HydrophobicContact CG2-CD1 3.93Å; V463-F483 WeakPolarHBondContact CG2-O 3.38Å; V463-F483 PolarHBondContact N-O 2.91Å; V463-F483 PolarHBondContact O-N 3.16Å; V463-Q485 HydrophobicContact CG1-CG 3.95Å; V463-Q485 HydrophobicContact CG2-CG 3.78Å; V463-P573 HydrophobicContact CB-CB 3.72Å; V463-P573 HydrophobicContact CG1-CB 3.67Å; V463-P573 HydrophobicContact CG2-CB 3.95Å
464	L	71.2	Confident	66.2	Low	1 Å²	1	72.3 Å²	72.3	1%	0.005	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	135.3	-177.9	-103.1	153.9	0	0	0	111	M453 L480 L482 T493 P513 S574 A576 T579	M453-L464 HydrophobicContact CE-CD1 3.64Å; M453-L464 HydrophobicContact CE-CD2 4.12Å; M453-L464 HydrophobicContact CG-CD1 4.08Å; M453-L464 HydrophobicContact SD-CD1 4.24Å; L464-L480 HydrophobicContact CD2-CD1 3.68Å; L464-L480 HydrophobicContact CD2-CD2 3.72Å; L464-L480 HydrophobicContact CD2-CG 3.41Å; L464-L480 VanDerWaalsContact CD2-CG 3.41Å; L464-L482 HydrophobicContact CD1-CD2 4.38Å; L464-L482 HydrophobicContact CD2-CD2 4.45Å; L464-L482 HydrophobicContact CG-CD2 3.8Å; L464-T493 HydrophobicContact CD2-CG2 4.47Å; L464-P513 HydrophobicContact CB-CG 4.31Å; L464-P513 WeakPolarHBondContact O-CB 3.39Å; L464-S574 PolarHBondContact N-O 3.19Å; L464-A576 HydrophobicContact CD1-CB 3.88Å; L464-A576 HydrophobicContact CG-CB 4.18Å; L464-T579 HydrophobicContact CD1-CG2 4.26Å
465	F	72.4	Confident	67.2	Low	26 Å²	26	70.8 Å²	70.8	11%	0.114	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	166	178.4	80.6	-74.3	0	0	0	112.9	A467 A481 F483 I490 P569	F465-A467 HydrophobicContact CE2-CB 3.82Å; F465-A467 HydrophobicContact CZ-CB 4.09Å; F465-A481 HydrophobicContact CD1-CB 4.07Å; F465-A481 WeakPolarHBondContact CD1-O 3.48Å; F465-A481 HydrophobicContact CE1-CB 3.49Å; F465-A481 VanDerWaalsContact CE1-CB 3.49Å; F465-A481 HydrophobicContact CZ-CB 3.77Å; F465-A481 PolarHBondContact N-O 2.92Å; F465-A481 PolarHBondContact O-N 3.38Å; F465-F483 HydrophobicContact CD1-CB 3.74Å; F465-F483 HydrophobicContact CE1-CB 3.7Å; F465-I490 HydrophobicContact CE1-CG2 4.27Å; F465-I490 HydrophobicContact CZ-CD1 4.36Å; F465-I490 HydrophobicContact CZ-CG1 4.22Å; F465-I490 HydrophobicContact CZ-CG2 4.15Å; F465-P569 HydrophobicContact CD2-CB 4.24Å; F465-P569 HydrophobicContact CE2-CB 3.99Å; F465-P569 HydrophobicContact CZ-CB 4.29Å
466	W	78.1	Confident	68.1	Low	6 Å²	6	65.2 Å²	65.2	2%	0.023	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	104.6	174.1	-67.4	106.1	0	0	0	110.6	L480 L509 A512 P513 L515 V525 V541 P543 S565	W466-L480 HydrophobicContact CD2-CD1 4.01Å; W466-L480 HydrophobicContact CE3-CB 4.24Å; W466-L480 HydrophobicContact CE3-CD1 4.01Å; W466-L480 HydrophobicContact CH2-CB 4.42Å; W466-L480 HydrophobicContact CH2-CD1 3.97Å; W466-L480 HydrophobicContact CZ2-CD1 3.96Å; W466-L480 HydrophobicContact CZ3-CB 3.91Å; W466-L480 HydrophobicContact CZ3-CD1 3.98Å; W466-L509 HydrophobicContact CH2-CD1 3.71Å; W466-L509 HydrophobicContact CZ2-CD1 3.76Å; W466-A512 HydrophobicContact CZ2-CB 4.5Å; W466-P513 PolarHBondContact NE1-O 2.64Å; W466-L515 HydrophobicContact CB-CD1 4.13Å; W466-L515 HydrophobicContact CB-CG 4.18Å; W466-L515 HydrophobicContact CD2-CD1 4.04Å; W466-L515 HydrophobicContact CG-CB 4.08Å; W466-L515 HydrophobicContact CG-CD1 3.84Å; W466-L515 HydrophobicContact CG-CG 4.07Å; W466-V525 HydrophobicContact CH2-CG1 4.19Å; W466-V525 HydrophobicContact CZ2-CB 3.8Å; W466-V525 HydrophobicContact CZ2-CG1 3.69Å; W466-V525 HydrophobicContact CZ2-CG2 4.08Å; W466-V541 HydrophobicContact CH2-CG1 4.16Å; W466-V541 HydrophobicContact CZ3-CG1 4.41Å; W466-P543 HydrophobicContact CD2-CB 4.43Å; W466-P543 HydrophobicContact CD2-CG 4.43Å; W466-P543 HydrophobicContact CE3-CB 4.08Å; W466-P543 HydrophobicContact CE3-CG 3.84Å; W466-P543 HydrophobicContact CH2-CB 3.76Å; W466-P543 HydrophobicContact CH2-CG 4.35Å; W466-P543 HydrophobicContact CZ2-CB 4.13Å; W466-P543 HydrophobicContact CZ3-CB 3.74Å; W466-P543 HydrophobicContact CZ3-CG 3.79Å; W466-S565 WeakPolarHBondContact O-CB 3.4Å; W466-S565 PolarHBondContact O-OG 3.39Å
467	A	75.4	Confident	69	Low	5 Å²	5	64.1 Å²	64.1	4%	0.041	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	140.8	178.1	0	0	0	0	0	111.7	F465 S478 Y479 A481	F465-A467 HydrophobicContact CE2-CB 3.82Å; F465-A467 HydrophobicContact CZ-CB 4.09Å; A467-S478 WeakPolarHBondContact O-CA 3.17Å; A467-S478 WeakPolarHBondContact O-CB 3.37Å; A467-Y479 HydrophobicContact CB-CD1 4.14Å; A467-Y479 HydrophobicContact CB-CD2 4.18Å; A467-Y479 HydrophobicContact CB-CE1 3.68Å; A467-Y479 HydrophobicContact CB-CE2 3.74Å; A467-Y479 HydrophobicContact CB-CG 4.36Å; A467-Y479 VanDerWaalsContact CB-CZ 3.45Å; A467-Y479 PolarHBondContact N-O 3.36Å; A467-Y479 PolarHBondContact O-N 2.82Å; A467-A481 HydrophobicContact CB-CB 3.94Å
468	A	77.5	Confident	70	Confident	38 Å²	38	55.9 Å²	55.9	31%	0.314	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-66.4	155.6	175.4	0	0	0	0	0	112	H470 Y479	A468-H470 PolarHBondContact O-N 3.14Å; A468-Y479 WeakPolarHBondContact O-CE1 3.39Å
469	P	74.1	Confident	70.7	Confident	44 Å²	44	54.1 Å²	54.1	29%	0.286	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-56.8	130.9	177.4	-24	34.1	0	0	0	112.4	P476 I564	P469-P476 WeakPolarHBondContact CB-O 3.47Å; P469-P476 WeakPolarHBondContact CG-O 3.33Å; P469-I564 HydrophobicContact CG-CG2 3.85Å
470	H	68.5	Low	71.5	Confident	90 Å²	90	51.9 Å²	51.9	42%	0.417	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-116.3	92.6	-176.4	-148.5	-63.8	0	0	0	110.5	A468 H472 N473 R475	A468-H470 PolarHBondContact O-N 3.14Å; H470-H472 PolarHBondContact O-N 3.23Å; H470-N473 PolarHBondContact O-N 2.77Å; H470-R475 PolarHBondContact N-O 2.99Å; H470-R475 VanDerWaalsContact N-O 3.14Å
471	L	63.8	Low	71.9	Confident	152 Å²	152	45.5 Å²	45.5	80%	0.796	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-52.3	-32	-175.2	-76.7	164.1	0	0	0	114.3	N473 E474	L471-N473 VanDerWaalsContact C-N 3.27Å; L471-N473 PolarHBondContact O-N 3.19Å; L471-E474 PolarHBondContact O-N 3.02Å
472	H	66.4	Low	72.1	Confident	172 Å²	172	43.7 Å²	43.7	80%	0.796	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-68.1	-21.3	177.4	-69	-40.1	0	0	0	114.7	H470	H470-H472 PolarHBondContact O-N 3.23Å
473	N	62.9	Low	72.1	Confident	72 Å²	72	43.1 Å²	43.1	39%	0.385	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-104.2	15.5	179.7	-61.9	17.4	0	0	0	111.5	H470 L471 R475	H470-N473 PolarHBondContact O-N 2.77Å; L471-N473 VanDerWaalsContact C-N 3.27Å; L471-N473 PolarHBondContact O-N 3.19Å; N473-R475 PolarHBondContact O-N 3.16Å; N473-R475 VanDerWaalsContact O-N 3.13Å
474	E	66.4	Low	72.4	Confident	142 Å²	142	42.9 Å²	42.9	66%	0.664	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	24.6	-176.1	-55.5	-172.7	161.9	0	0	114.6	L471 P476 N534	L471-E474 PolarHBondContact O-N 3.02Å; E474-P476 WeakPolarHBondContact O-CD 3.5Å; E474-N534 PolarHBondContact OE2-ND2 2.78Å
475	R	71.4	Confident	72.4	Confident	13 Å²	13	47.9 Å²	47.9	5%	0.049	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-99.2	100.2	174.5	-70.8	-174.1	177.7	126.7	-5.5	111	H470 N473 Y477 E492 D540	H470-R475 PolarHBondContact N-O 2.99Å; H470-R475 VanDerWaalsContact N-O 3.14Å; N473-R475 PolarHBondContact O-N 3.16Å; N473-R475 VanDerWaalsContact O-N 3.13Å; R475-Y477 HydrophobicContact CG-CE2 4.35Å; R475-E492 IonicContact CZ-OE1 3.64Å; R475-E492 IonicContact CZ-OE2 3.41Å; R475-E492 IonicContact NH1-OE1 3.38Å; R475-E492 PolarHBondContact NH1-OE1 3.43Å; R475-E492 IonicContact NH1-OE2 3.61Å; R475-E492 PolarHBondContact NH1-OE2 3.38Å; R475-E492 VanDerWaalsContact NH1-OE2 3.09Å; R475-E492 IonicContact NH2-OE1 2.94Å; R475-E492 IonicContact NH2-OE2 2.73Å; R475-E492 PolarHBondContact NH2-OE2 3.23Å; R475-D540 IonicContact CZ-OD1 3.21Å; R475-D540 IonicContact CZ-OD2 2.62Å; R475-D540 VanDerWaalsContact NE-CG 3.31Å; R475-D540 IonicContact NE-OD1 2.77Å; R475-D540 PolarHBondContact NE-OD1 3.27Å; R475-D540 IonicContact NE-OD2 3.76Å; R475-D540 PolarHBondContact NE-OD2 2.81Å; R475-D540 IonicContact NH2-OD1 2.75Å; R475-D540 PolarHBondContact NH2-OD1 3.03Å; R475-D540 IonicContact NH2-OD2 2.69Å
476	P	72.3	Confident	72.4	Confident	43 Å²	43	53.9 Å²	53.9	28%	0.279	27%	0.27	S	S	.	.			trans	-83.1	-15.5	178	33.5	-36.1	0	0	0	113.5	P469 E474 E559	P469-P476 WeakPolarHBondContact CB-O 3.47Å; P469-P476 WeakPolarHBondContact CG-O 3.33Å; E474-P476 WeakPolarHBondContact O-CD 3.5Å; P476-E559 WeakPolarHBondContact CB-OE2 3.17Å; P476-E559 HydrophobicContact CG-CG 4.37Å; P476-E559 WeakPolarHBondContact CG-OE1 3.5Å
477	Y	78.4	Confident	72.4	Confident	31 Å²	31	56.2 Å²	56.2	12%	0.122	29%	0.287	C	S	.	.	S	Bend	trans	-98.9	163.6	176.8	43.2	-101.5	0	0	0	112.2	R475 V531 D540 V542	R475-Y477 HydrophobicContact CG-CE2 4.35Å; Y477-V531 HydrophobicContact CE2-CG2 4.32Å; Y477-D540 HydrophobicContact CE2-CB 4.04Å; Y477-D540 PolarHBondContact OH-OD2 3.35Å; Y477-V542 HydrophobicContact CD1-CG2 4.36Å; Y477-V542 HydrophobicContact CD2-CG2 3.62Å; Y477-V542 HydrophobicContact CE2-CG2 3.84Å; Y477-V542 HydrophobicContact CG-CG1 4.22Å; Y477-V542 HydrophobicContact CG-CG2 3.9Å
478	S	75.5	Confident	72.1	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.317	C	S	.	.			trans	-75.1	150.1	167.6	-62.4	0	0	0	0	111.3	A467 P543 I564 S565	A467-S478 WeakPolarHBondContact O-CA 3.17Å; A467-S478 WeakPolarHBondContact O-CB 3.37Å; S478-P543 WeakPolarHBondContact O-CD 3.42Å; S478-I564 WeakPolarHBondContact OG-CA 3.14Å; S478-S565 PolarHBondContact OG-N 3.19Å
479	Y	78.8	Confident	72	Confident	19 Å²	19	64.5 Å²	64.5	8%	0.075	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	157.9	-175.7	62.8	-79.6	0	0	0	111.2	A467 A468 A481 V541	A467-Y479 HydrophobicContact CB-CD1 4.14Å; A467-Y479 HydrophobicContact CB-CD2 4.18Å; A467-Y479 HydrophobicContact CB-CE1 3.68Å; A467-Y479 HydrophobicContact CB-CE2 3.74Å; A467-Y479 HydrophobicContact CB-CG 4.36Å; A467-Y479 VanDerWaalsContact CB-CZ 3.45Å; A467-Y479 PolarHBondContact N-O 3.36Å; A467-Y479 PolarHBondContact O-N 2.82Å; A468-Y479 WeakPolarHBondContact O-CE1 3.39Å; Y479-A481 HydrophobicContact CD2-CB 4.45Å; Y479-A481 HydrophobicContact CE2-CB 4.16Å; Y479-V541 WeakPolarHBondContact CA-O 3.36Å
480	L	75.7	Confident	71.7	Confident	8 Å²	8	67 Å²	67	4%	0.042	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	126.8	-179.8	-164.5	70.4	0	0	0	110.4	M453 L464 W466 T493 W495 P513 V541	M453-L480 HydrophobicContact CE-CD2 4.15Å; L464-L480 HydrophobicContact CD2-CD1 3.68Å; L464-L480 HydrophobicContact CD2-CD2 3.72Å; L464-L480 HydrophobicContact CD2-CG 3.41Å; L464-L480 VanDerWaalsContact CD2-CG 3.41Å; W466-L480 HydrophobicContact CD2-CD1 4.01Å; W466-L480 HydrophobicContact CE3-CB 4.24Å; W466-L480 HydrophobicContact CE3-CD1 4.01Å; W466-L480 HydrophobicContact CH2-CB 4.42Å; W466-L480 HydrophobicContact CH2-CD1 3.97Å; W466-L480 HydrophobicContact CZ2-CD1 3.96Å; W466-L480 HydrophobicContact CZ3-CB 3.91Å; W466-L480 HydrophobicContact CZ3-CD1 3.98Å; L480-T493 PolarHBondContact O-OG1 3.14Å; L480-W495 HydrophobicContact CD2-CZ2 3.9Å; L480-P513 HydrophobicContact CD1-CG 4Å; L480-V541 HydrophobicContact CB-CB 4.1Å
481	A	74.3	Confident	71.5	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	162.2	-177	0	0	0	0	0	112.4	F465 A467 Y479 I490 T493	F465-A481 HydrophobicContact CD1-CB 4.07Å; F465-A481 WeakPolarHBondContact CD1-O 3.48Å; F465-A481 HydrophobicContact CE1-CB 3.49Å; F465-A481 VanDerWaalsContact CE1-CB 3.49Å; F465-A481 HydrophobicContact CZ-CB 3.77Å; F465-A481 PolarHBondContact N-O 2.92Å; F465-A481 PolarHBondContact O-N 3.38Å; A467-A481 HydrophobicContact CB-CB 3.94Å; Y479-A481 HydrophobicContact CD2-CB 4.45Å; Y479-A481 HydrophobicContact CE2-CB 4.16Å; A481-I490 HydrophobicContact CB-CG2 4.45Å; A481-T493 WeakPolarHBondContact CA-OG1 3.26Å; A481-T493 PolarHBondContact N-OG1 2.98Å
482	L	72.8	Confident	71.5	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.026	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.2	173.1	-73.2	161.8	0	0	0	110.5	I456 W462 V463 L464 I490 A491 T493 A576	I456-L482 HydrophobicContact CD1-CD1 3.34Å; W462-L482 HydrophobicContact CB-CD2 4.33Å; W462-L482 HydrophobicContact CE3-CB 3.95Å; W462-L482 HydrophobicContact CZ3-CB 4.44Å; V463-L482 WeakPolarHBondContact O-CA 3.39Å; L464-L482 HydrophobicContact CD1-CD2 4.38Å; L464-L482 HydrophobicContact CD2-CD2 4.45Å; L464-L482 HydrophobicContact CG-CD2 3.8Å; L482-I490 CarbonylContact O-C 3.53Å; L482-I490 WeakPolarHBondContact O-CA 3.22Å; L482-A491 HydrophobicContact CB-CB 4.26Å; L482-A491 WeakPolarHBondContact CB-O 3.41Å; L482-A491 PolarHBondContact N-O 3.43Å; L482-A491 PolarHBondContact O-N 3.02Å; L482-T493 HydrophobicContact CD1-CG2 3.91Å; L482-T493 HydrophobicContact CG-CG2 4.03Å; L482-A576 HydrophobicContact CD2-CB 3.78Å
483	F	69.5	Low	71	Confident	26 Å²	26	51.8 Å²	51.8	11%	0.114	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.7	175.8	175.8	-109.8	0	0	0	109.6	W462 V463 F465 Q485 D488 D489 I490 P569	W462-F483 WeakPolarHBondContact CA-O 3.3Å; V463-F483 HydrophobicContact CG2-CB 4.12Å; V463-F483 HydrophobicContact CG2-CD1 3.93Å; V463-F483 WeakPolarHBondContact CG2-O 3.38Å; V463-F483 PolarHBondContact N-O 2.91Å; V463-F483 PolarHBondContact O-N 3.16Å; F465-F483 HydrophobicContact CD1-CB 3.74Å; F465-F483 HydrophobicContact CE1-CB 3.7Å; F483-Q485 HydrophobicContact CD1-CG 4.32Å; F483-Q485 HydrophobicContact CE1-CG 4.41Å; F483-D488 HydrophobicContact CE2-CB 4.31Å; F483-D488 HydrophobicContact CZ-CB 4.45Å; F483-D488 WeakPolarHBondContact CZ-OD1 3.44Å; F483-D489 WeakPolarHBondContact CA-O 3.36Å; F483-I490 HydrophobicContact CD2-CG1 3.95Å; F483-P569 HydrophobicContact CD2-CB 4.17Å; F483-P569 HydrophobicContact CD2-CG 4.33Å; F483-P569 HydrophobicContact CE2-CB 4.37Å; F483-P569 HydrophobicContact CE2-CG 4.25Å; F483-P569 HydrophobicContact CG-CB 4.34Å
484	N	74.6	Confident	70.6	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.043	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	118.1	173.7	-172.6	-49.5	0	0	0	109.7	Q461 W462 E486 S487 D488 D489	Q461-N484 PolarHBondContact OE1-ND2 3.24Å; W462-N484 HydrophobicContact CD2-CB 3.99Å; W462-N484 HydrophobicContact CE3-CB 3.76Å; W462-N484 HydrophobicContact CH2-CB 3.84Å; W462-N484 HydrophobicContact CZ2-CB 4.03Å; W462-N484 HydrophobicContact CZ3-CB 3.69Å; N484-E486 VanDerWaalsContact C-N 3.28Å; N484-E486 PolarHBondContact O-N 3.01Å; N484-E486 PolarHBondContact OD1-N 2.86Å; N484-S487 WeakPolarHBondContact CB-OG 3.47Å; N484-S487 PolarHBondContact OD1-N 3.25Å; N484-S487 VanDerWaalsContact OD1-N 3.16Å; N484-D488 WeakPolarHBondContact O-CA 3.42Å; N484-D488 PolarHBondContact O-N 2.96Å; N484-D488 VanDerWaalsContact O-N 3.13Å; N484-D489 HydrophobicContact CB-CB 4.37Å; N484-D489 PolarHBondContact N-O 3Å
485	Q	71.8	Confident	69.9	Low	105 Å²	105	46.4 Å²	46.4	49%	0.491	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-14.3	-176.2	-60.4	-163.9	-43.8	0	0	114.9	Q461 V463 F483	Q461-Q485 PolarHBondContact O-N 3.29Å; V463-Q485 HydrophobicContact CG1-CG 3.95Å; V463-Q485 HydrophobicContact CG2-CG 3.78Å; F483-Q485 HydrophobicContact CD1-CG 4.32Å; F483-Q485 HydrophobicContact CE1-CG 4.41Å
486	E	72.9	Confident	68.4	Low	152 Å²	152	52.9 Å²	52.9	71%	0.71	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-32.5	177.7	-72.2	-159.6	175.1	0	0	113.6	Q461 N484	Q461-E486 HydrophobicContact CG-CG 4.36Å; Q461-E486 PolarHBondContact NE2-OE2 3.32Å; N484-E486 VanDerWaalsContact C-N 3.28Å; N484-E486 PolarHBondContact O-N 3.01Å; N484-E486 PolarHBondContact OD1-N 2.86Å
487	S	76.8	Confident	67	Low	55 Å²	55	54.8 Å²	54.8	39%	0.385	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-6.4	-176.6	67.5	0	0	0	0	115.1	N484 D489	N484-S487 WeakPolarHBondContact CB-OG 3.47Å; N484-S487 PolarHBondContact OD1-N 3.25Å; N484-S487 VanDerWaalsContact OD1-N 3.16Å; S487-D489 WeakPolarHBondContact CB-OD2 3.35Å; S487-D489 PolarHBondContact O-N 2.66Å; S487-D489 WeakPolarHBondContact OG-CB 3.21Å; S487-D489 VanDerWaalsContact OG-CG 3.24Å; S487-D489 PolarHBondContact OG-N 3.31Å; S487-D489 PolarHBondContact OG-OD2 3.5Å
488	D	70.4	Confident	65.5	Low	123 Å²	123	58.4 Å²	58.4	66%	0.658	31%	0.31	S	S	*	.			trans	57.2	15.2	-167.6	-67	-36.2	0	0	0	113.7	F483 N484	F483-D488 HydrophobicContact CE2-CB 4.31Å; F483-D488 HydrophobicContact CZ-CB 4.45Å; F483-D488 WeakPolarHBondContact CZ-OD1 3.44Å; N484-D488 WeakPolarHBondContact O-CA 3.42Å; N484-D488 PolarHBondContact O-N 2.96Å; N484-D488 VanDerWaalsContact O-N 3.13Å
489	D	74.6	Confident	64.2	Low	94 Å²	94	59.5 Å²	59.5	50%	0.503	32%	0.316	S	S	.	.			trans	-74.9	140.4	177.8	-71.4	-53.8	0	0	0	111.8	W462 F483 N484 S487	W462-D489 HydrophobicContact CH2-CB 4.45Å; F483-D489 WeakPolarHBondContact CA-O 3.36Å; N484-D489 HydrophobicContact CB-CB 4.37Å; N484-D489 PolarHBondContact N-O 3Å; S487-D489 WeakPolarHBondContact CB-OD2 3.35Å; S487-D489 PolarHBondContact O-N 2.66Å; S487-D489 WeakPolarHBondContact OG-CB 3.21Å; S487-D489 VanDerWaalsContact OG-CG 3.24Å; S487-D489 PolarHBondContact OG-N 3.31Å; S487-D489 PolarHBondContact OG-OD2 3.5Å
490	I	68.3	Low	62.7	Low	98 Å²	98	62.2 Å²	62.2	50%	0.503	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.5	169.2	-64.4	160.8	0	0	0	108.7	F465 A481 L482 F483 P569	F465-I490 HydrophobicContact CE1-CG2 4.27Å; F465-I490 HydrophobicContact CZ-CD1 4.36Å; F465-I490 HydrophobicContact CZ-CG1 4.22Å; F465-I490 HydrophobicContact CZ-CG2 4.15Å; A481-I490 HydrophobicContact CB-CG2 4.45Å; L482-I490 CarbonylContact O-C 3.53Å; L482-I490 WeakPolarHBondContact O-CA 3.22Å; F483-I490 HydrophobicContact CD2-CG1 3.95Å; I490-P569 HydrophobicContact CD1-CG 4.41Å
491	A	64.7	Low	61.4	Low	28 Å²	28	64.1 Å²	64.1	23%	0.231	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.6	170	0	0	0	0	0	110	W462 L482	W462-A491 HydrophobicContact CE3-CB 4.37Å; W462-A491 HydrophobicContact CH2-CB 3.86Å; W462-A491 HydrophobicContact CZ3-CB 3.52Å; L482-A491 HydrophobicContact CB-CB 4.26Å; L482-A491 WeakPolarHBondContact CB-O 3.41Å; L482-A491 PolarHBondContact N-O 3.43Å; L482-A491 PolarHBondContact O-N 3.02Å
492	E	62.8	Low	60.4	Low	56 Å²	56	71.8 Å²	71.8	26%	0.262	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	137.1	174.3	-61	-164.3	174.7	0	0	110.5	R475 F494	R475-E492 IonicContact CZ-OE1 3.64Å; R475-E492 IonicContact CZ-OE2 3.41Å; R475-E492 IonicContact NH1-OE1 3.38Å; R475-E492 PolarHBondContact NH1-OE1 3.43Å; R475-E492 IonicContact NH1-OE2 3.61Å; R475-E492 PolarHBondContact NH1-OE2 3.38Å; R475-E492 VanDerWaalsContact NH1-OE2 3.09Å; R475-E492 IonicContact NH2-OE1 2.94Å; R475-E492 IonicContact NH2-OE2 2.73Å; R475-E492 PolarHBondContact NH2-OE2 3.23Å; E492-F494 VanDerWaalsContact C-N 3.29Å; E492-F494 HydrophobicContact CB-CD1 4.46Å; E492-F494 HydrophobicContact CB-CD2 4.47Å; E492-F494 HydrophobicContact CB-CE1 3.89Å; E492-F494 HydrophobicContact CB-CE2 3.9Å; E492-F494 HydrophobicContact CB-CZ 3.59Å; E492-F494 HydrophobicContact CG-CZ 4.32Å; E492-F494 WeakPolarHBondContact O-CD2 3.32Å; E492-F494 PolarHBondContact O-N 3.19Å
493	T	56	Low	59.6	Low	9 Å²	9	72.4 Å²	72.4	6%	0.055	39%	0.391	C	S	.	.			trans	-78.6	78.2	-178.4	-19.2	0	0	0	0	111	M453 L464 L480 A481 L482 W495	M453-T493 HydrophobicContact CE-CG2 3.6Å; M453-T493 HydrophobicContact SD-CG2 3.44Å; M453-T493 WeakPolarHBondContact SD-CG2 3.48Å; L464-T493 HydrophobicContact CD2-CG2 4.47Å; L480-T493 PolarHBondContact O-OG1 3.14Å; A481-T493 WeakPolarHBondContact CA-OG1 3.26Å; A481-T493 PolarHBondContact N-OG1 2.98Å; L482-T493 HydrophobicContact CD1-CG2 3.91Å; L482-T493 HydrophobicContact CG-CG2 4.03Å; T493-W495 PolarHBondContact O-N 3.29Å; T493-W495 VanDerWaalsContact O-N 3.1Å
494	F	54	Low	59.4	Low	87 Å²	87	73.5 Å²	73.5	38%	0.382	40%	0.4	S	S	.	.			trans	-71.7	102.3	172.7	-56.3	-58.7	0	0	0	110	E492 H496 H538	E492-F494 VanDerWaalsContact C-N 3.29Å; E492-F494 HydrophobicContact CB-CD1 4.46Å; E492-F494 HydrophobicContact CB-CD2 4.47Å; E492-F494 HydrophobicContact CB-CE1 3.89Å; E492-F494 HydrophobicContact CB-CE2 3.9Å; E492-F494 HydrophobicContact CB-CZ 3.59Å; E492-F494 HydrophobicContact CG-CZ 4.32Å; E492-F494 WeakPolarHBondContact O-CD2 3.32Å; E492-F494 PolarHBondContact O-N 3.19Å; F494-H496 PolarHBondContact O-N 3.5Å; F494-H538 HydrophobicContact CD1-CB 3.69Å; F494-H538 AromaticContact CD1-CD2 3.75Å; F494-H538 AromaticContact CD1-CE1 3.85Å; F494-H538 AromaticContact CD1-CG 3.32Å; F494-H538 AromaticContact CD1-ND1 3.4Å; F494-H538 WeakPolarHBondContact CD1-ND1 3.22Å; F494-H538 HydrophobicContact CE1-CB 3.87Å; F494-H538 AromaticContact CE1-CD2 3.43Å; F494-H538 VanDerWaalsContact CE1-CD2 3.43Å; F494-H538 WeakPolarHBondContact CE1-CD2 3.32Å; F494-H538 AromaticContact CE1-CG 3.45Å; F494-H538 VanDerWaalsContact CE1-CG 3.45Å; F494-H538 AromaticContact CE1-ND1 3.92Å; F494-H538 AromaticContact CE1-NE2 3.88Å; F494-H538 AromaticContact CG-ND1 3.99Å
495	W	52.2	Low	59	Low	15 Å²	15	74.3 Å²	74.3	6%	0.057	40%	0.403	C	S	.	.			trans	-65.6	93.8	175.7	-64.6	90.4	0	0	0	111	V451 M453 L480 T493 L499 V541 A581	V451-W495 HydrophobicContact CB-CE3 3.98Å; V451-W495 HydrophobicContact CB-CZ3 3.67Å; V451-W495 HydrophobicContact CG1-CE3 3.45Å; V451-W495 VanDerWaalsContact CG1-CE3 3.45Å; V451-W495 HydrophobicContact CG1-CZ3 3.64Å; M453-W495 HydrophobicContact CE-CD2 4.46Å; M453-W495 HydrophobicContact CE-CE3 4.23Å; M453-W495 HydrophobicContact CE-CH2 3.27Å; M453-W495 HydrophobicContact CE-CZ2 3.47Å; M453-W495 VanDerWaalsContact CE-CZ2 3.47Å; M453-W495 HydrophobicContact CE-CZ3 3.65Å; M453-W495 HydrophobicContact SD-CE3 4.47Å; M453-W495 HydrophobicContact SD-CH2 4.4Å; M453-W495 HydrophobicContact SD-CZ3 4.2Å; L480-W495 HydrophobicContact CD2-CZ2 3.9Å; T493-W495 PolarHBondContact O-N 3.29Å; T493-W495 VanDerWaalsContact O-N 3.1Å; W495-L499 HydrophobicContact CB-CD1 4.22Å; W495-V541 HydrophobicContact CZ2-CG2 4.11Å; W495-A581 HydrophobicContact CH2-CB 3.53Å; W495-A581 HydrophobicContact CZ2-CB 4.2Å; W495-A581 HydrophobicContact CZ3-CB 4.09Å
496	H	39	Very low	58.8	Low	149 Å²	149	70.3 Å²	70.3	69%	0.69	39%	0.385	S	S	*	.			trans	-102.9	119.5	163.3	-103.1	-6.1	0	0	0	107.3	F494	F494-H496 PolarHBondContact O-N 3.5Å
497	P	44.8	Very low	58.9	Low	83 Å²	83	63.2 Å²	63.2	54%	0.539	35%	0.352	S	S	.	.	S	Bend	cis	-102.9	178	39.3	8.3	11.6	0	0	0	113.8	L499	P497-L499 PolarHBondContact O-N 3.41Å
498	S	45.3	Very low	58.9	Low	106 Å²	106	61.8 Å²	61.8	74%	0.741	34%	0.339	S	S	*	.			trans	-55.3	100.3	170.9	53.3	0	0	0	0	110.9
499	L	49.7	Very low	59	Low	24 Å²	24	56.2 Å²	56.2	13%	0.126	31%	0.309	C	S	.	.			trans	-60.6	134.4	-179.7	-63.5	173.5	0	0	0	108.7	V451 W495 P497 T501 Y505 I583	V451-L499 HydrophobicContact CG1-CD2 4.05Å; V451-L499 HydrophobicContact CG2-CD2 3.63Å; W495-L499 HydrophobicContact CB-CD1 4.22Å; P497-L499 PolarHBondContact O-N 3.41Å; L499-T501 PolarHBondContact O-N 2.9Å; L499-Y505 WeakPolarHBondContact CB-OH 3.37Å; L499-Y505 WeakPolarHBondContact CD1-OH 3.41Å; L499-I583 HydrophobicContact CD2-CD1 4.19Å
500	P	47	Very low	58.8	Low	76 Å²	76	56.5 Å²	56.5	49%	0.494	30%	0.303	S	S	.	.	S	Bend	trans	-76.2	29	-161.3	26.4	-33.8	0	0	0	114.9	R585	P500-R585 VanDerWaalsContact C-NH2 3.26Å; P500-R585 PolarHBondContact O-NH2 2.99Å
501	T	47.4	Very low	58.8	Low	47 Å²	47	57 Å²	57	29%	0.288	31%	0.307	S	S	.	.	S	Bend	trans	-150	141.7	-170.6	1.9	0	0	0	0	111.1	L499 R585	L499-T501 PolarHBondContact O-N 2.9Å; T501-R585 PolarHBondContact OG1-NH2 2.76Å; T501-R585 VanDerWaalsContact OG1-NH2 3.11Å
502	I	53.2	Low	59.1	Low	161 Å²	161	56.6 Å²	56.6	83%	0.826	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-67.3	134.4	172.6	-57.8	169.4	0	0	0	108.6
503	V	55.9	Low	59.4	Low	19 Å²	19	54.1 Å²	54.1	12%	0.115	29%	0.292	C	S	.	.	S	Bend	trans	-86.1	147.6	-180	167	0	0	0	0	109.4	Y505 V530 V531 E532 F539	V503-Y505 HydrophobicContact CB-CE1 4.49Å; V503-Y505 HydrophobicContact CG2-CD1 4.05Å; V503-Y505 HydrophobicContact CG2-CE1 3.47Å; V503-Y505 VanDerWaalsContact CG2-CE1 3.47Å; V503-V530 HydrophobicContact CG1-CG1 4.47Å; V503-V530 HydrophobicContact CG2-CG1 4.09Å; V503-V531 VanDerWaalsContact CG1-CA 3.46Å; V503-E532 HydrophobicContact CG1-CB 3.99Å; V503-F539 HydrophobicContact CB-CD1 4.3Å; V503-F539 HydrophobicContact CB-CE1 4.06Å; V503-F539 HydrophobicContact CG1-CD1 4.17Å; V503-F539 HydrophobicContact CG1-CE1 4.37Å; V503-F539 HydrophobicContact CG2-CD1 3.73Å; V503-F539 HydrophobicContact CG2-CE1 3.59Å; V503-F539 HydrophobicContact CG2-CG 4.43Å; V503-F539 HydrophobicContact CG2-CZ 4.17Å
504	P	65.2	Low	60.3	Low	48 Å²	48	58 Å²	58	31%	0.312	31%	0.31	S	S	.	.	P	Polyproline II helix	cis	-90.1	156.8	7.4	35.2	-35.3	0	0	0	116.1	V529 V530 V531 L554	P504-V529 HydrophobicContact CB-CG1 4.25Å; P504-V530 WeakPolarHBondContact CA-O 3.27Å; P504-V530 WeakPolarHBondContact CB-O 3.39Å; P504-V531 HydrophobicContact CB-CG1 4.28Å; P504-L554 HydrophobicContact CB-CD1 3.65Å; P504-L554 HydrophobicContact CG-CD1 3.62Å
505	Y	66	Low	61.3	Low	25 Å²	25	53.9 Å²	53.9	10%	0.098	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	158.7	175.3	54.9	-102.2	0	0	0	113.6	L499 V503 V507 V529 V530 I583	L499-Y505 WeakPolarHBondContact CB-OH 3.37Å; L499-Y505 WeakPolarHBondContact CD1-OH 3.41Å; V503-Y505 HydrophobicContact CB-CE1 4.49Å; V503-Y505 HydrophobicContact CG2-CD1 4.05Å; V503-Y505 HydrophobicContact CG2-CE1 3.47Å; V503-Y505 VanDerWaalsContact CG2-CE1 3.47Å; Y505-V507 HydrophobicContact CD2-CG1 3.83Å; Y505-V507 HydrophobicContact CE2-CG1 3.68Å; Y505-V529 WeakPolarHBondContact O-CA 3.46Å; Y505-V530 HydrophobicContact CD2-CB 4.17Å; Y505-V530 HydrophobicContact CD2-CG2 4.12Å; Y505-V530 HydrophobicContact CE2-CB 3.75Å; Y505-V530 HydrophobicContact CE2-CG1 4.39Å; Y505-V530 HydrophobicContact CE2-CG2 3.51Å; Y505-V530 PolarHBondContact N-O 2.88Å; Y505-V530 PolarHBondContact O-N 2.99Å; Y505-I583 HydrophobicContact CD2-CG2 4.26Å; Y505-I583 HydrophobicContact CE2-CD1 4.22Å; Y505-I583 HydrophobicContact CE2-CG2 4.16Å
506	I	69	Low	62.2	Low	22 Å²	22	55.6 Å²	55.6	11%	0.113	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	141	179.2	-54.8	170.8	0	0	0	110.9	W527 A528 V529 A550 Y551 L554	I506-W527 HydrophobicContact CG2-CE3 3.9Å; I506-W527 HydrophobicContact CG2-CZ3 4.34Å; I506-A528 CarbonylContact C-O 3.45Å; I506-A528 WeakPolarHBondContact CA-O 3.49Å; I506-V529 HydrophobicContact CG1-CG2 4.21Å; I506-A550 HydrophobicContact CD1-CB 4.22Å; I506-A550 HydrophobicContact CG1-CB 4.11Å; I506-A550 HydrophobicContact CG2-CB 3.93Å; I506-Y551 HydrophobicContact CD1-CD2 4.18Å; I506-L554 HydrophobicContact CD1-CD2 4.42Å; I506-L554 HydrophobicContact CG1-CD2 4.29Å
507	V	73.5	Confident	63.9	Low	2 Å²	2	50 Å²	50	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148.6	173.1	-62.3	0	0	0	0	111.5	Y505 L509 A528 V530 I583	Y505-V507 HydrophobicContact CD2-CG1 3.83Å; Y505-V507 HydrophobicContact CE2-CG1 3.68Å; V507-L509 HydrophobicContact CG2-CD2 3.74Å; V507-L509 HydrophobicContact CG2-CG 4.33Å; V507-A528 HydrophobicContact CG2-CB 3.87Å; V507-A528 PolarHBondContact N-O 3.49Å; V507-A528 PolarHBondContact O-N 3.45Å; V507-V530 HydrophobicContact CG1-CG2 3.8Å; V507-V530 HydrophobicContact CG2-CG2 4.27Å; V507-I583 HydrophobicContact CG1-CB 4.37Å; V507-I583 HydrophobicContact CG1-CG1 3.95Å; V507-I583 HydrophobicContact CG1-CG2 4.27Å
508	E	76.8	Confident	65	Low	26 Å²	26	50 Å²	50	12%	0.121	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.1	164.4	177.6	176.4	115.6	0	0	106.8	R510 D526 W527 L582 K584	E508-R510 IonicContact OE1-CZ 3.67Å; E508-R510 IonicContact OE1-NE 3.37Å; E508-R510 PolarHBondContact OE1-NE 3.26Å; E508-R510 IonicContact OE1-NH2 3.07Å; E508-R510 PolarHBondContact OE1-NH2 3.43Å; E508-D526 CarbonylContact C-O 3.52Å; E508-D526 VanDerWaalsContact CA-O 3.26Å; E508-D526 WeakPolarHBondContact CA-O 3.34Å; E508-W527 HydrophobicContact CB-CE3 4.2Å; E508-W527 HydrophobicContact CB-CH2 4.08Å; E508-W527 HydrophobicContact CB-CZ3 3.87Å; E508-W527 HydrophobicContact CG-CH2 4.43Å; E508-W527 WeakPolarHBondContact OE2-CH2 3.25Å; E508-L582 HydrophobicContact CB-CD2 4.47Å; E508-L582 PolarHBondContact N-O 3.4Å; E508-L582 CarbonylContact O-C 3.58Å; E508-L582 WeakPolarHBondContact O-CA 3.31Å; E508-L582 WeakPolarHBondContact O-CB 3.48Å; E508-L582 PolarHBondContact O-N 3Å; E508-K584 HydrophobicContact CB-CD 4.35Å; E508-K584 HydrophobicContact CB-CG 4.25Å; E508-K584 IonicContact OE1-NZ 3.71Å; E508-K584 PolarHBondContact OE1-NZ 3.03Å; E508-K584 VanDerWaalsContact OE2-CD 3.3Å; E508-K584 WeakPolarHBondContact OE2-CD 3.47Å; E508-K584 WeakPolarHBondContact OE2-CE 3.39Å; E508-K584 IonicContact OE2-NZ 3.38Å; E508-K584 PolarHBondContact OE2-NZ 2.88Å
509	L	73.5	Confident	66.3	Low	6 Å²	6	49.8 Å²	49.8	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	132.5	177.7	-56.3	178.2	0	0	0	109.5	W466 V507 A512 V525 D526 A528 V541 A581	W466-L509 HydrophobicContact CH2-CD1 3.71Å; W466-L509 HydrophobicContact CZ2-CD1 3.76Å; V507-L509 HydrophobicContact CG2-CD2 3.74Å; V507-L509 HydrophobicContact CG2-CG 4.33Å; L509-A512 HydrophobicContact CB-CB 3.92Å; L509-A512 HydrophobicContact CD1-CB 4.18Å; L509-V525 HydrophobicContact CD1-CG1 4.27Å; L509-D526 PolarHBondContact N-O 3.1Å; L509-A528 HydrophobicContact CD1-CB 3.8Å; L509-A528 HydrophobicContact CG-CB 4.18Å; L509-V541 HydrophobicContact CD1-CG1 4.35Å; L509-A581 HydrophobicContact CD2-CB 3.87Å
510	R	69.9	Low	67.3	Low	99 Å²	99	54.9 Å²	54.9	37%	0.374	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.5	172.7	-69.7	-168.7	179.7	154.2	15.1	110.3	E448 E508 A512 S580 L582	E448-R510 IonicContact OE1-NH2 3.53Å; E508-R510 IonicContact OE1-CZ 3.67Å; E508-R510 IonicContact OE1-NE 3.37Å; E508-R510 PolarHBondContact OE1-NE 3.26Å; E508-R510 IonicContact OE1-NH2 3.07Å; E508-R510 PolarHBondContact OE1-NH2 3.43Å; R510-A512 PolarHBondContact O-N 3.33Å; R510-S580 PolarHBondContact N-O 3.11Å; R510-S580 PolarHBondContact O-N 3.04Å; R510-L582 VanDerWaalsContact NH1-CD1 3.25Å; R510-L582 VanDerWaalsContact NH2-CD1 3.28Å
511	N	68.4	Low	68.6	Low	109 Å²	109	54.1 Å²	54.1	58%	0.583	29%	0.288	S	S	*	.	S	Bend	trans	54.4	37.5	-172.5	-40.5	-48.7	0	0	0	112.6	K578 T579	N511-K578 WeakPolarHBondContact CB-O 3.4Å; N511-K578 PolarHBondContact ND2-O 3.28Å; N511-T579 WeakPolarHBondContact O-CB 3.29Å; N511-T579 PolarHBondContact O-OG1 2.81Å
512	A	71.4	Confident	69.9	Low	19 Å²	19	54.7 Å²	54.7	16%	0.157	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-60.8	152.2	166.8	0	0	0	0	0	110.2	W466 L509 R510	W466-A512 HydrophobicContact CZ2-CB 4.5Å; L509-A512 HydrophobicContact CB-CB 3.92Å; L509-A512 HydrophobicContact CD1-CB 4.18Å; R510-A512 PolarHBondContact O-N 3.33Å
513	P	69.8	Low	71.2	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.026	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-60.1	147.4	164.3	26.4	-32.4	0	0	0	110	L464 W466 L480	L464-P513 HydrophobicContact CB-CG 4.31Å; L464-P513 WeakPolarHBondContact O-CB 3.39Å; W466-P513 PolarHBondContact NE1-O 2.64Å; L480-P513 HydrophobicContact CD1-CG 4Å
514	Q	74.8	Confident	72.3	Confident	91 Å²	91	53.6 Å²	53.6	43%	0.425	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-66.6	141.2	171.1	-73.9	-176.6	-22.4	0	0	109.9	A522 V523 D524	Q514-A522 HydrophobicContact CB-CB 4.27Å; Q514-V523 WeakPolarHBondContact CA-O 3.31Å; Q514-D524 VanDerWaalsContact CG-OD1 3.23Å; Q514-D524 WeakPolarHBondContact CG-OD1 3.49Å; Q514-D524 PolarHBondContact NE2-OD1 3.13Å
515	L	74.2	Confident	73	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.4	176.5	-171.9	153.4	0	0	0	109.1	W466 L517 A522 V523 V525 P543 L563	W466-L515 HydrophobicContact CB-CD1 4.13Å; W466-L515 HydrophobicContact CB-CG 4.18Å; W466-L515 HydrophobicContact CD2-CD1 4.04Å; W466-L515 HydrophobicContact CG-CB 4.08Å; W466-L515 HydrophobicContact CG-CD1 3.84Å; W466-L515 HydrophobicContact CG-CG 4.07Å; L515-L517 HydrophobicContact CD2-CD2 3.44Å; L515-L517 VanDerWaalsContact CD2-CD2 3.44Å; L515-L517 HydrophobicContact CD2-CG 3.94Å; L515-A522 WeakPolarHBondContact O-CA 3.49Å; L515-V523 PolarHBondContact N-O 3.26Å; L515-V523 PolarHBondContact O-N 3.02Å; L515-V525 HydrophobicContact CB-CG2 3.49Å; L515-V525 VanDerWaalsContact CB-CG2 3.49Å; L515-V525 HydrophobicContact CD1-CG2 4.11Å; L515-V525 HydrophobicContact CG-CG2 4.44Å; L515-P543 HydrophobicContact CD1-CB 3.75Å; L515-P543 HydrophobicContact CD1-CG 3.51Å; L515-L563 HydrophobicContact CD1-CB 3.86Å; L515-L563 HydrophobicContact CD1-CD1 4.48Å; L515-L563 HydrophobicContact CD2-CB 4.21Å
516	Q	71	Confident	73.7	Confident	52 Å²	52	54.9 Å²	54.9	24%	0.243	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	110.1	176.6	-170.9	165	-4.1	0	0	110	D520 H566	Q516-D520 PolarHBondContact NE2-OD1 3.18Å; Q516-H566 PolarHBondContact O-N 3.16Å; Q516-H566 VanDerWaalsContact O-N 3.12Å
517	L	75	Confident	74.4	Confident	31 Å²	31	56.2 Å²	56.2	16%	0.162	30%	0.304	C	S	.	.			trans	-75.6	165.2	-179.6	-70.7	177.4	0	0	0	112	L515 N519 D520 T521 V523 L563	L515-L517 HydrophobicContact CD2-CD2 3.44Å; L515-L517 VanDerWaalsContact CD2-CD2 3.44Å; L515-L517 HydrophobicContact CD2-CG 3.94Å; L517-N519 WeakPolarHBondContact CB-OD1 3.44Å; L517-N519 PolarHBondContact O-N 2.6Å; L517-D520 PolarHBondContact O-N 3.24Å; L517-T521 PolarHBondContact N-O 3.41Å; L517-T521 VanDerWaalsContact N-O 3.1Å; L517-V523 HydrophobicContact CD1-CB 4.48Å; L517-V523 HydrophobicContact CD1-CG2 3.54Å; L517-V523 HydrophobicContact CG-CG2 4.18Å; L517-L563 HydrophobicContact CD2-CB 4.47Å; L517-L563 HydrophobicContact CD2-CD2 4.17Å
518	P	68.2	Low	74.8	Confident	83 Å²	83	56.1 Å²	56.1	54%	0.539	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-10.3	-177.6	-20.3	27	0	0	0	116.4
519	N	73.4	Confident	75	Confident	102 Å²	102	54.9 Å²	54.9	55%	0.545	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	19.8	-176.9	62.8	-41.2	0	0	0	112.9	L517 T521	L517-N519 WeakPolarHBondContact CB-OD1 3.44Å; L517-N519 PolarHBondContact O-N 2.6Å; N519-T521 VanDerWaalsContact ND2-CG2 3.33Å; N519-T521 WeakPolarHBondContact ND2-CG2 3.33Å; N519-T521 PolarHBondContact ND2-OG1 2.94Å; N519-T521 PolarHBondContact O-N 3.11Å; N519-T521 VanDerWaalsContact O-N 3.12Å; N519-T521 PolarHBondContact OD1-OG1 2.88Å
520	D	68.9	Low	75.1	Confident	131 Å²	131	54.9 Å²	54.9	70%	0.701	30%	0.298	S	S	*	.	S	Bend	trans	58.2	17.3	-177.1	-75.7	-39.8	0	0	0	115.4	Q516 L517	Q516-D520 PolarHBondContact NE2-OD1 3.18Å; L517-D520 PolarHBondContact O-N 3.24Å
521	T	74.4	Confident	75.4	Confident	60 Å²	60	51.1 Å²	51.1	37%	0.368	29%	0.286	S	S	.	.			trans	-87.6	115.3	169.7	57.1	0	0	0	0	110.2	L517 N519	L517-T521 PolarHBondContact N-O 3.41Å; L517-T521 VanDerWaalsContact N-O 3.1Å; N519-T521 VanDerWaalsContact ND2-CG2 3.33Å; N519-T521 WeakPolarHBondContact ND2-CG2 3.33Å; N519-T521 PolarHBondContact ND2-OG1 2.94Å; N519-T521 PolarHBondContact O-N 3.11Å; N519-T521 VanDerWaalsContact O-N 3.12Å; N519-T521 PolarHBondContact OD1-OG1 2.88Å
522	A	75.9	Confident	75.5	Confident	59 Å²	59	51.1 Å²	51.1	49%	0.488	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	131.8	165.2	0	0	0	0	0	110.1	Q514 L515	Q514-A522 HydrophobicContact CB-CB 4.27Å; L515-A522 WeakPolarHBondContact O-CA 3.49Å
523	V	79	Confident	75	Confident	52 Å²	52	50.7 Å²	50.7	32%	0.315	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.8	179.7	178.9	0	0	0	0	109.8	Q514 L515 L517 V525	Q514-V523 WeakPolarHBondContact CA-O 3.31Å; L515-V523 PolarHBondContact N-O 3.26Å; L515-V523 PolarHBondContact O-N 3.02Å; L517-V523 HydrophobicContact CD1-CB 4.48Å; L517-V523 HydrophobicContact CD1-CG2 3.54Å; L517-V523 HydrophobicContact CG-CG2 4.18Å; V523-V525 PolarHBondContact O-N 3.34Å
524	D	80.6	Confident	74.5	Confident	104 Å²	104	57 Å²	57	56%	0.556	31%	0.311	S	S	*	.			trans	-69.7	120.8	170.6	-62.4	-53.8	0	0	0	109.5	Q514 D526	Q514-D524 VanDerWaalsContact CG-OD1 3.23Å; Q514-D524 WeakPolarHBondContact CG-OD1 3.49Å; Q514-D524 PolarHBondContact NE2-OD1 3.13Å; D524-D526 PolarHBondContact O-N 3.02Å
525	V	78.7	Confident	73.3	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.03	32%	0.321	C	S	.	.			trans	-92.4	90.6	179.3	-175.8	0	0	0	0	109.7	W466 L509 L515 V523 W527 P543 L563	W466-V525 HydrophobicContact CH2-CG1 4.19Å; W466-V525 HydrophobicContact CZ2-CB 3.8Å; W466-V525 HydrophobicContact CZ2-CG1 3.69Å; W466-V525 HydrophobicContact CZ2-CG2 4.08Å; L509-V525 HydrophobicContact CD1-CG1 4.27Å; L515-V525 HydrophobicContact CB-CG2 3.49Å; L515-V525 VanDerWaalsContact CB-CG2 3.49Å; L515-V525 HydrophobicContact CD1-CG2 4.11Å; L515-V525 HydrophobicContact CG-CG2 4.44Å; V523-V525 PolarHBondContact O-N 3.34Å; V525-W527 WeakPolarHBondContact CG1-O 3.13Å; V525-P543 HydrophobicContact CG1-CB 3.67Å; V525-P543 HydrophobicContact CG2-CB 4.28Å; V525-L563 HydrophobicContact CG2-CD1 4.21Å
526	D	81.8	Confident	72.1	Confident	96 Å²	96	65.7 Å²	65.7	51%	0.513	35%	0.354	S	S	.	.			trans	-77.3	-22.1	176.7	-70.2	-27	0	0	0	113.2	E508 L509 D524	E508-D526 CarbonylContact C-O 3.52Å; E508-D526 VanDerWaalsContact CA-O 3.26Å; E508-D526 WeakPolarHBondContact CA-O 3.34Å; L509-D526 PolarHBondContact N-O 3.1Å; D524-D526 PolarHBondContact O-N 3.02Å
527	W	83.1	Confident	71.1	Confident	49 Å²	49	73 Å²	73	19%	0.186	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.1	-172	-62.2	92.7	0	0	0	112.6	I506 E508 V525 C544 R547 K584	I506-W527 HydrophobicContact CG2-CE3 3.9Å; I506-W527 HydrophobicContact CG2-CZ3 4.34Å; E508-W527 HydrophobicContact CB-CE3 4.2Å; E508-W527 HydrophobicContact CB-CH2 4.08Å; E508-W527 HydrophobicContact CB-CZ3 3.87Å; E508-W527 HydrophobicContact CG-CH2 4.43Å; E508-W527 WeakPolarHBondContact OE2-CH2 3.25Å; V525-W527 WeakPolarHBondContact CG1-O 3.13Å; W527-C544 PolarHBondContact O-N 3.15Å; W527-R547 HydrophobicContact CD2-CB 3.87Å; W527-R547 HydrophobicContact CD2-CG 4.29Å; W527-R547 HydrophobicContact CE3-CB 4.18Å; W527-R547 HydrophobicContact CE3-CG 4.08Å; W527-R547 HydrophobicContact CG-CB 4.26Å; W527-R547 HydrophobicContact CH2-CG 4.3Å; W527-R547 HydrophobicContact CZ2-CB 4.31Å; W527-R547 HydrophobicContact CZ2-CG 4.49Å; W527-R547 HydrophobicContact CZ3-CG 4.09Å; W527-K584 HydrophobicContact CH2-CD 4.16Å
528	A	82.3	Confident	70.5	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	167.5	177.3	0	0	0	0	0	111.8	I506 V507 L509 V541 V542	I506-A528 CarbonylContact C-O 3.45Å; I506-A528 WeakPolarHBondContact CA-O 3.49Å; V507-A528 HydrophobicContact CG2-CB 3.87Å; V507-A528 PolarHBondContact N-O 3.49Å; V507-A528 PolarHBondContact O-N 3.45Å; L509-A528 HydrophobicContact CD1-CB 3.8Å; L509-A528 HydrophobicContact CG-CB 4.18Å; A528-V541 HydrophobicContact CB-CG1 3.57Å; A528-V542 CarbonylContact C-O 3.48Å; A528-V542 WeakPolarHBondContact CA-O 3.22Å; A528-V542 WeakPolarHBondContact CB-O 3.11Å
529	V	79.9	Confident	70.5	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.006	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.3	171.5	-179	0	0	0	0	109.4	P504 Y505 I506 V531 V542 A550 F553 L554	P504-V529 HydrophobicContact CB-CG1 4.25Å; Y505-V529 WeakPolarHBondContact O-CA 3.46Å; I506-V529 HydrophobicContact CG1-CG2 4.21Å; V529-V531 HydrophobicContact CG1-CG1 3.97Å; V529-V542 PolarHBondContact N-O 3.06Å; V529-V542 PolarHBondContact O-N 2.86Å; V529-A550 HydrophobicContact CG2-CB 3.72Å; V529-A550 WeakPolarHBondContact CG2-O 3.29Å; V529-F553 HydrophobicContact CB-CD1 3.85Å; V529-F553 HydrophobicContact CB-CE1 4.08Å; V529-F553 HydrophobicContact CG1-CD1 4.14Å; V529-F553 HydrophobicContact CG1-CE1 4.22Å; V529-F553 HydrophobicContact CG2-CD1 3.87Å; V529-L554 HydrophobicContact CG1-CD1 4.01Å
530	V	76.7	Confident	70.5	Confident	5 Å²	5	68.2 Å²	68.2	3%	0.03	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	129	170	-175.7	0	0	0	0	108.2	V503 P504 Y505 V507 F539 D540 V541	V503-V530 HydrophobicContact CG1-CG1 4.47Å; V503-V530 HydrophobicContact CG2-CG1 4.09Å; P504-V530 WeakPolarHBondContact CA-O 3.27Å; P504-V530 WeakPolarHBondContact CB-O 3.39Å; Y505-V530 HydrophobicContact CD2-CB 4.17Å; Y505-V530 HydrophobicContact CD2-CG2 4.12Å; Y505-V530 HydrophobicContact CE2-CB 3.75Å; Y505-V530 HydrophobicContact CE2-CG1 4.39Å; Y505-V530 HydrophobicContact CE2-CG2 3.51Å; Y505-V530 PolarHBondContact N-O 2.88Å; Y505-V530 PolarHBondContact O-N 2.99Å; V507-V530 HydrophobicContact CG1-CG2 3.8Å; V507-V530 HydrophobicContact CG2-CG2 4.27Å; V530-F539 HydrophobicContact CG1-CB 3.86Å; V530-F539 HydrophobicContact CG1-CG 4.36Å; V530-D540 WeakPolarHBondContact CA-O 3.03Å; V530-V541 HydrophobicContact CG2-CG2 4.39Å
531	V	75.9	Confident	71.1	Confident	21 Å²	21	62.1 Å²	62.1	13%	0.127	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152.9	178.8	-58.4	0	0	0	0	110.7	Y477 V503 P504 V529 F539 D540 V542 F553	Y477-V531 HydrophobicContact CE2-CG2 4.32Å; V503-V531 VanDerWaalsContact CG1-CA 3.46Å; P504-V531 HydrophobicContact CB-CG1 4.28Å; V529-V531 HydrophobicContact CG1-CG1 3.97Å; V531-F539 CarbonylContact O-C 3.21Å; V531-F539 VanDerWaalsContact O-CA 3.31Å; V531-F539 WeakPolarHBondContact O-CA 3.36Å; V531-D540 HydrophobicContact CG2-CB 3.92Å; V531-D540 PolarHBondContact N-O 2.85Å; V531-D540 PolarHBondContact O-N 3.43Å; V531-V542 HydrophobicContact CG1-CG2 4.16Å; V531-V542 HydrophobicContact CG2-CG2 3.73Å; V531-F553 HydrophobicContact CG1-CE1 3.99Å; V531-F553 HydrophobicContact CG1-CZ 4.43Å
532	E	69.6	Low	71.5	Confident	109 Å²	109	59.3 Å²	59.3	51%	0.509	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	122.5	175.9	-172.7	174	-164.6	0	0	107.4	V503 F539	V503-E532 HydrophobicContact CG1-CB 3.99Å; E532-F539 HydrophobicContact CB-CD1 4.41Å; E532-F539 HydrophobicContact CB-CE1 4.44Å; E532-F539 HydrophobicContact CG-CE1 4.37Å
533	S	61.9	Low	72	Confident	9 Å²	9	56.5 Å²	56.5	6%	0.063	27%	0.272	C	S	.	.			trans	-80.3	150	176.6	87.3	0	0	0	0	109.5	F535 H538 D540	S533-F535 PolarHBondContact O-N 2.78Å; S533-F535 VanDerWaalsContact O-N 3.1Å; S533-F535 PolarHBondContact OG-N 2.99Å; S533-F535 PolarHBondContact OG-O 3.14Å; S533-H538 PolarHBondContact N-O 2.94Å; S533-H538 PolarHBondContact OG-O 2.89Å; S533-D540 VanDerWaalsContact CB-OD2 3.26Å; S533-D540 WeakPolarHBondContact CB-OD2 3.28Å
534	N	58.8	Low	72.4	Confident	137 Å²	137	54.1 Å²	54.1	73%	0.733	26%	0.258	S	S	*	.	S	Bend	trans	-65.3	-11.5	178.1	-73.3	-14	0	0	0	113	E474	E474-N534 PolarHBondContact OE2-ND2 2.78Å
535	F	50.5	Low	72.4	Confident	143 Å²	143	52.9 Å²	52.9	63%	0.627	26%	0.262	S	S	*	.	S	Bend	trans	-100.1	117.7	-174.4	-121.4	-90.6	0	0	0	111.2	S533 R537 H538	S533-F535 PolarHBondContact O-N 2.78Å; S533-F535 VanDerWaalsContact O-N 3.1Å; S533-F535 PolarHBondContact OG-N 2.99Å; S533-F535 PolarHBondContact OG-O 3.14Å; F535-R537 PolarHBondContact O-N 2.92Å; F535-H538 PolarHBondContact O-CD2 3.44Å; F535-H538 VanDerWaalsContact O-CD2 3.28Å; F535-H538 PolarHBondContact O-N 3.41Å; F535-H538 VanDerWaalsContact O-N 3.12Å
536	D	48.8	Very low	72.5	Confident	130 Å²	130	54.3 Å²	54.3	70%	0.695	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	29.4	171	-72.5	-30.3	0	0	0	117.3	H538	D536-H538 VanDerWaalsContact C-N 3.32Å; D536-H538 PolarHBondContact O-N 3.33Å
537	R	50.3	Low	72.1	Confident	207 Å²	207	55.4 Å²	55.4	78%	0.781	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	39	-178.8	-60.9	-179.2	170.6	-172.9	-4.8	113.6	F535	F535-R537 PolarHBondContact O-N 2.92Å
538	H	61.4	Low	71.7	Confident	56 Å²	56	59.2 Å²	59.2	26%	0.259	29%	0.289	S	S	.	.			trans	-87.6	165.2	174.1	-65.6	-53.6	0	0	0	112	F494 S533 F535 D536	F494-H538 HydrophobicContact CD1-CB 3.69Å; F494-H538 AromaticContact CD1-CD2 3.75Å; F494-H538 AromaticContact CD1-CE1 3.85Å; F494-H538 AromaticContact CD1-CG 3.32Å; F494-H538 AromaticContact CD1-ND1 3.4Å; F494-H538 WeakPolarHBondContact CD1-ND1 3.22Å; F494-H538 HydrophobicContact CE1-CB 3.87Å; F494-H538 AromaticContact CE1-CD2 3.43Å; F494-H538 VanDerWaalsContact CE1-CD2 3.43Å; F494-H538 WeakPolarHBondContact CE1-CD2 3.32Å; F494-H538 AromaticContact CE1-CG 3.45Å; F494-H538 VanDerWaalsContact CE1-CG 3.45Å; F494-H538 AromaticContact CE1-ND1 3.92Å; F494-H538 AromaticContact CE1-NE2 3.88Å; F494-H538 AromaticContact CG-ND1 3.99Å; S533-H538 PolarHBondContact N-O 2.94Å; S533-H538 PolarHBondContact OG-O 2.89Å; F535-H538 PolarHBondContact O-CD2 3.44Å; F535-H538 VanDerWaalsContact O-CD2 3.28Å; F535-H538 PolarHBondContact O-N 3.41Å; F535-H538 VanDerWaalsContact O-N 3.12Å; D536-H538 VanDerWaalsContact C-N 3.32Å; D536-H538 PolarHBondContact O-N 3.33Å
539	F	68.7	Low	71.3	Confident	49 Å²	49	59.9 Å²	59.9	22%	0.215	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120.7	-177.5	-58.6	-53.8	0	0	0	110.9	V503 V530 V531 E532	V503-F539 HydrophobicContact CB-CD1 4.3Å; V503-F539 HydrophobicContact CB-CE1 4.06Å; V503-F539 HydrophobicContact CG1-CD1 4.17Å; V503-F539 HydrophobicContact CG1-CE1 4.37Å; V503-F539 HydrophobicContact CG2-CD1 3.73Å; V503-F539 HydrophobicContact CG2-CE1 3.59Å; V503-F539 HydrophobicContact CG2-CG 4.43Å; V503-F539 HydrophobicContact CG2-CZ 4.17Å; V530-F539 HydrophobicContact CG1-CB 3.86Å; V530-F539 HydrophobicContact CG1-CG 4.36Å; V531-F539 CarbonylContact O-C 3.21Å; V531-F539 VanDerWaalsContact O-CA 3.31Å; V531-F539 WeakPolarHBondContact O-CA 3.36Å; E532-F539 HydrophobicContact CB-CD1 4.41Å; E532-F539 HydrophobicContact CB-CE1 4.44Å; E532-F539 HydrophobicContact CG-CE1 4.37Å
540	D	74	Confident	71.1	Confident	10 Å²	10	59.8 Å²	59.8	5%	0.053	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	148.2	174.3	-64.5	-23.5	0	0	0	110	R475 Y477 V530 V531 S533	R475-D540 IonicContact CZ-OD1 3.21Å; R475-D540 IonicContact CZ-OD2 2.62Å; R475-D540 VanDerWaalsContact NE-CG 3.31Å; R475-D540 IonicContact NE-OD1 2.77Å; R475-D540 PolarHBondContact NE-OD1 3.27Å; R475-D540 IonicContact NE-OD2 3.76Å; R475-D540 PolarHBondContact NE-OD2 2.81Å; R475-D540 IonicContact NH2-OD1 2.75Å; R475-D540 PolarHBondContact NH2-OD1 3.03Å; R475-D540 IonicContact NH2-OD2 2.69Å; Y477-D540 HydrophobicContact CE2-CB 4.04Å; Y477-D540 PolarHBondContact OH-OD2 3.35Å; V530-D540 WeakPolarHBondContact CA-O 3.03Å; V531-D540 HydrophobicContact CG2-CB 3.92Å; V531-D540 PolarHBondContact N-O 2.85Å; V531-D540 PolarHBondContact O-N 3.43Å; S533-D540 VanDerWaalsContact CB-OD2 3.26Å; S533-D540 WeakPolarHBondContact CB-OD2 3.28Å
541	V	79.8	Confident	70.7	Confident	3 Å²	3	65.4 Å²	65.4	2%	0.018	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113.6	175.3	179.5	0	0	0	0	108.6	W466 Y479 L480 W495 L509 A528 V530	W466-V541 HydrophobicContact CH2-CG1 4.16Å; W466-V541 HydrophobicContact CZ3-CG1 4.41Å; Y479-V541 WeakPolarHBondContact CA-O 3.36Å; L480-V541 HydrophobicContact CB-CB 4.1Å; W495-V541 HydrophobicContact CZ2-CG2 4.11Å; L509-V541 HydrophobicContact CD1-CG1 4.35Å; A528-V541 HydrophobicContact CB-CG1 3.57Å; V530-V541 HydrophobicContact CG2-CG2 4.39Å
542	V	84.2	Confident	70.3	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.3	-175.9	-176.1	0	0	0	0	110	Y477 A528 V529 V531 F553 T562	Y477-V542 HydrophobicContact CD1-CG2 4.36Å; Y477-V542 HydrophobicContact CD2-CG2 3.62Å; Y477-V542 HydrophobicContact CE2-CG2 3.84Å; Y477-V542 HydrophobicContact CG-CG1 4.22Å; Y477-V542 HydrophobicContact CG-CG2 3.9Å; A528-V542 CarbonylContact C-O 3.48Å; A528-V542 WeakPolarHBondContact CA-O 3.22Å; A528-V542 WeakPolarHBondContact CB-O 3.11Å; V529-V542 PolarHBondContact N-O 3.06Å; V529-V542 PolarHBondContact O-N 2.86Å; V531-V542 HydrophobicContact CG1-CG2 4.16Å; V531-V542 HydrophobicContact CG2-CG2 3.73Å; V542-F553 HydrophobicContact CB-CE1 3.99Å; V542-F553 HydrophobicContact CG1-CD1 4.45Å; V542-F553 HydrophobicContact CG1-CE1 3.84Å; V542-F553 HydrophobicContact CG1-CZ 4.12Å; V542-F553 HydrophobicContact CG2-CE1 4.11Å; V542-F553 HydrophobicContact CG2-CZ 4.38Å; V542-T562 HydrophobicContact CG1-CG2 3.51Å
543	P	86.6	Confident	70.5	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	139.9	-177.6	30.2	-33.1	0	0	0	111.8	W466 S478 L515 V525 L563	W466-P543 HydrophobicContact CD2-CB 4.43Å; W466-P543 HydrophobicContact CD2-CG 4.43Å; W466-P543 HydrophobicContact CE3-CB 4.08Å; W466-P543 HydrophobicContact CE3-CG 3.84Å; W466-P543 HydrophobicContact CH2-CB 3.76Å; W466-P543 HydrophobicContact CH2-CG 4.35Å; W466-P543 HydrophobicContact CZ2-CB 4.13Å; W466-P543 HydrophobicContact CZ3-CB 3.74Å; W466-P543 HydrophobicContact CZ3-CG 3.79Å; S478-P543 WeakPolarHBondContact O-CD 3.42Å; L515-P543 HydrophobicContact CD1-CB 3.75Å; L515-P543 HydrophobicContact CD1-CG 3.51Å; V525-P543 HydrophobicContact CG1-CB 3.67Å; V525-P543 HydrophobicContact CG2-CB 4.28Å; P543-L563 HydrophobicContact CB-CB 4.14Å; P543-L563 HydrophobicContact CB-CD1 4.49Å; P543-L563 HydrophobicContact CG-CB 4.05Å; P543-L563 PolarHBondContact O-N 3.43Å
544	C	86	Confident	70.7	Confident	3 Å²	3	64.7 Å²	64.7	2%	0.02	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.7	179.9	-68.8	0	0	0	0	111.4	W527 S546 A549 A550	W527-C544 PolarHBondContact O-N 3.15Å; C544-S546 VanDerWaalsContact C-N 3.28Å; C544-S546 PolarHBondContact O-N 3.49Å; C544-A549 HydrophobicContact CB-CB 4.41Å; C544-A550 HydrophobicContact CB-CB 3.8Å
545	A	82	Confident	71	Confident	77 Å²	77	64.6 Å²	64.6	64%	0.636	31%	0.313	S	S	*	.	S	Bend	trans	-65.8	-28.2	-176.6	0	0	0	0	0	114	L563	A545-L563 HydrophobicContact CB-CD2 3.87Å; A545-L563 HydrophobicContact CB-CG 4.44Å
546	S	80.1	Confident	71.9	Confident	36 Å²	36	60.7 Å²	60.7	25%	0.252	30%	0.303	S	S	.	.	S	Bend	trans	-155.5	173.5	176.8	85.4	0	0	0	0	110.9	C544 E548 A549 A550	C544-S546 VanDerWaalsContact C-N 3.28Å; C544-S546 PolarHBondContact O-N 3.49Å; S546-E548 VanDerWaalsContact C-N 3.27Å; S546-E548 VanDerWaalsContact CB-OE2 3.26Å; S546-E548 WeakPolarHBondContact CB-OE2 3.48Å; S546-E548 PolarHBondContact O-N 3.32Å; S546-E548 PolarHBondContact OG-N 3.43Å; S546-E548 VanDerWaalsContact OG-N 3.17Å; S546-E548 PolarHBondContact OG-OE2 3.23Å; S546-A549 PolarHBondContact O-N 2.94Å; S546-A549 PolarHBondContact OG-N 2.88Å; S546-A550 PolarHBondContact O-N 3.41Å
547	R	74.5	Confident	72.8	Confident	119 Å²	119	63.5 Å²	63.5	45%	0.449	30%	0.303	S	S	.	.	H	α-helix	trans	-61.9	-35.4	173.1	-172.5	-179.2	177.2	-150.3	-2.1	112.5	W527 Y551	W527-R547 HydrophobicContact CD2-CB 3.87Å; W527-R547 HydrophobicContact CD2-CG 4.29Å; W527-R547 HydrophobicContact CE3-CB 4.18Å; W527-R547 HydrophobicContact CE3-CG 4.08Å; W527-R547 HydrophobicContact CG-CB 4.26Å; W527-R547 HydrophobicContact CH2-CG 4.3Å; W527-R547 HydrophobicContact CZ2-CB 4.31Å; W527-R547 HydrophobicContact CZ2-CG 4.49Å; W527-R547 HydrophobicContact CZ3-CG 4.09Å; R547-Y551 PolarHBondContact O-N 3.37Å
548	E	73.9	Confident	73.8	Confident	128 Å²	128	57.4 Å²	57.4	60%	0.598	29%	0.287	S	S	*	.	H	α-helix	trans	-68	-44.4	176.5	-59.3	69.3	-150.5	0	0	110.5	S546 A550 Y551 T552	S546-E548 VanDerWaalsContact C-N 3.27Å; S546-E548 VanDerWaalsContact CB-OE2 3.26Å; S546-E548 WeakPolarHBondContact CB-OE2 3.48Å; S546-E548 PolarHBondContact O-N 3.32Å; S546-E548 PolarHBondContact OG-N 3.43Å; S546-E548 VanDerWaalsContact OG-N 3.17Å; S546-E548 PolarHBondContact OG-OE2 3.23Å; E548-A550 PolarHBondContact O-N 3.16Å; E548-Y551 WeakPolarHBondContact O-CB 3Å; E548-Y551 PolarHBondContact O-N 3.05Å; E548-Y551 VanDerWaalsContact O-N 3.11Å; E548-T552 PolarHBondContact O-N 2.91Å; E548-T552 PolarHBondContact O-OG1 2.88Å; E548-T552 VanDerWaalsContact O-OG1 3.05Å
549	A	74.7	Confident	74.2	Confident	14 Å²	14	59.3 Å²	59.3	12%	0.116	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-43.4	174.6	0	0	0	0	0	111.6	C544 S546 Y551 T552 F553 D561	C544-A549 HydrophobicContact CB-CB 4.41Å; S546-A549 PolarHBondContact O-N 2.94Å; S546-A549 PolarHBondContact OG-N 2.88Å; A549-Y551 VanDerWaalsContact C-N 3.27Å; A549-Y551 PolarHBondContact O-N 3.18Å; A549-T552 PolarHBondContact O-N 2.71Å; A549-F553 WeakPolarHBondContact O-CB 3.2Å; A549-F553 PolarHBondContact O-N 2.75Å; A549-D561 HydrophobicContact CB-CB 4.49Å
550	A	73.8	Confident	74.5	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59.7	-36.3	173.2	0	0	0	0	0	112.7	I506 V529 C544 S546 E548 L554	I506-A550 HydrophobicContact CD1-CB 4.22Å; I506-A550 HydrophobicContact CG1-CB 4.11Å; I506-A550 HydrophobicContact CG2-CB 3.93Å; V529-A550 HydrophobicContact CG2-CB 3.72Å; V529-A550 WeakPolarHBondContact CG2-O 3.29Å; C544-A550 HydrophobicContact CB-CB 3.8Å; S546-A550 PolarHBondContact O-N 3.41Å; E548-A550 PolarHBondContact O-N 3.16Å; A550-L554 VanDerWaalsContact O-CB 3.3Å; A550-L554 WeakPolarHBondContact O-CB 3.27Å; A550-L554 PolarHBondContact O-N 3.31Å; A550-L554 VanDerWaalsContact O-N 3.1Å
551	Y	68.3	Low	74.6	Confident	123 Å²	123	64.2 Å²	64.2	48%	0.482	33%	0.328	S	S	.	.	H	α-helix	trans	-72.7	-39.6	175.2	-171.4	-89.7	0	0	0	112.6	I506 R547 E548 A549 L554 M555	I506-Y551 HydrophobicContact CD1-CD2 4.18Å; R547-Y551 PolarHBondContact O-N 3.37Å; E548-Y551 WeakPolarHBondContact O-CB 3Å; E548-Y551 PolarHBondContact O-N 3.05Å; E548-Y551 VanDerWaalsContact O-N 3.11Å; A549-Y551 VanDerWaalsContact C-N 3.27Å; A549-Y551 PolarHBondContact O-N 3.18Å; Y551-L554 PolarHBondContact O-N 3.03Å; Y551-M555 HydrophobicContact CD1-CG 4.18Å; Y551-M555 HydrophobicContact CE1-CG 3.83Å; Y551-M555 VanDerWaalsContact O-CG 3.27Å; Y551-M555 WeakPolarHBondContact O-CG 3.38Å; Y551-M555 PolarHBondContact O-N 3.2Å
552	T	69	Low	74.7	Confident	63 Å²	63	64.8 Å²	64.8	39%	0.387	33%	0.332	S	S	.	.	H	α-helix	trans	-63.9	-50.9	175.3	-47.3	0	0	0	0	110.1	E548 A549 L554 M555 S556 D561	E548-T552 PolarHBondContact O-N 2.91Å; E548-T552 PolarHBondContact O-OG1 2.88Å; E548-T552 VanDerWaalsContact O-OG1 3.05Å; A549-T552 PolarHBondContact O-N 2.71Å; T552-L554 VanDerWaalsContact C-N 3.3Å; T552-L554 PolarHBondContact O-N 3.09Å; T552-M555 CarbonylContact O-C 3.6Å; T552-M555 PolarHBondContact O-N 2.95Å; T552-S556 WeakPolarHBondContact O-CB 3.34Å; T552-S556 PolarHBondContact O-N 3.35Å; T552-S556 PolarHBondContact O-OG 3.36Å; T552-D561 VanDerWaalsContact CB-OD2 3.27Å; T552-D561 WeakPolarHBondContact CB-OD2 3.33Å; T552-D561 WeakPolarHBondContact CG2-OD2 3.18Å
553	F	73.7	Confident	74.5	Confident	13 Å²	13	65.9 Å²	65.9	6%	0.057	34%	0.338	C	S	.	.	H	α-helix	trans	-54	-43.2	175.6	177.9	-120.4	0	0	0	112.6	V529 V531 V542 A549 M555 R557 D558 D561 T562	V529-F553 HydrophobicContact CB-CD1 3.85Å; V529-F553 HydrophobicContact CB-CE1 4.08Å; V529-F553 HydrophobicContact CG1-CD1 4.14Å; V529-F553 HydrophobicContact CG1-CE1 4.22Å; V529-F553 HydrophobicContact CG2-CD1 3.87Å; V531-F553 HydrophobicContact CG1-CE1 3.99Å; V531-F553 HydrophobicContact CG1-CZ 4.43Å; V542-F553 HydrophobicContact CB-CE1 3.99Å; V542-F553 HydrophobicContact CG1-CD1 4.45Å; V542-F553 HydrophobicContact CG1-CE1 3.84Å; V542-F553 HydrophobicContact CG1-CZ 4.12Å; V542-F553 HydrophobicContact CG2-CE1 4.11Å; V542-F553 HydrophobicContact CG2-CZ 4.38Å; A549-F553 WeakPolarHBondContact O-CB 3.2Å; A549-F553 PolarHBondContact O-N 2.75Å; F553-M555 PolarHBondContact O-N 2.9Å; F553-R557 VanDerWaalsContact O-CA 3.25Å; F553-R557 WeakPolarHBondContact O-CA 3.46Å; F553-R557 PolarHBondContact O-N 2.88Å; F553-D558 WeakPolarHBondContact CD2-O 3.19Å; F553-D561 HydrophobicContact CB-CB 3.98Å; F553-T562 HydrophobicContact CD1-CG2 4.09Å; F553-T562 HydrophobicContact CD2-CG2 3.56Å; F553-T562 HydrophobicContact CE1-CG2 4.19Å; F553-T562 HydrophobicContact CE2-CG2 3.67Å; F553-T562 HydrophobicContact CG-CG2 3.79Å; F553-T562 HydrophobicContact CZ-CG2 3.99Å
554	L	66.1	Low	74.1	Confident	48 Å²	48	69.6 Å²	69.6	25%	0.251	36%	0.357	S	S	.	.	H	α-helix	trans	-59.1	-35.6	176.5	-172.6	73.8	0	0	0	112.7	P504 I506 V529 A550 Y551 T552	P504-L554 HydrophobicContact CB-CD1 3.65Å; P504-L554 HydrophobicContact CG-CD1 3.62Å; I506-L554 HydrophobicContact CD1-CD2 4.42Å; I506-L554 HydrophobicContact CG1-CD2 4.29Å; V529-L554 HydrophobicContact CG1-CD1 4.01Å; A550-L554 VanDerWaalsContact O-CB 3.3Å; A550-L554 WeakPolarHBondContact O-CB 3.27Å; A550-L554 PolarHBondContact O-N 3.31Å; A550-L554 VanDerWaalsContact O-N 3.1Å; Y551-L554 PolarHBondContact O-N 3.03Å; T552-L554 VanDerWaalsContact C-N 3.3Å; T552-L554 PolarHBondContact O-N 3.09Å
555	M	64.6	Low	73.2	Confident	135 Å²	135	69.6 Å²	69.6	67%	0.665	36%	0.357	S	S	*	.	H	α-helix	trans	-91.1	-32.7	-175.7	-66.6	-65.8	-63.1	0	0	113.6	Y551 T552 F553	Y551-M555 HydrophobicContact CD1-CG 4.18Å; Y551-M555 HydrophobicContact CE1-CG 3.83Å; Y551-M555 VanDerWaalsContact O-CG 3.27Å; Y551-M555 WeakPolarHBondContact O-CG 3.38Å; Y551-M555 PolarHBondContact O-N 3.2Å; T552-M555 CarbonylContact O-C 3.6Å; T552-M555 PolarHBondContact O-N 2.95Å; F553-M555 PolarHBondContact O-N 2.9Å
556	S	68.7	Low	72.4	Confident	60 Å²	60	72.1 Å²	72.1	42%	0.42	36%	0.355	S	S	.	.	H	α-helix	trans	-96.3	-31.8	-176.6	63.7	0	0	0	0	113.2	T552 D558	T552-S556 WeakPolarHBondContact O-CB 3.34Å; T552-S556 PolarHBondContact O-N 3.35Å; T552-S556 PolarHBondContact O-OG 3.36Å; S556-D558 PolarHBondContact O-N 2.87Å; S556-D558 VanDerWaalsContact OG-CB 3.31Å; S556-D558 WeakPolarHBondContact OG-CB 3.36Å; S556-D558 PolarHBondContact OG-N 3.39Å
557	R	68	Low	71.3	Confident	189 Å²	189	71.4 Å²	71.4	71%	0.713	35%	0.351	S	S	*	.			trans	52.9	23.3	-157.3	-60.7	-168.8	176.5	-153.4	-0.1	113.9	F553	F553-R557 VanDerWaalsContact O-CA 3.25Å; F553-R557 WeakPolarHBondContact O-CA 3.46Å; F553-R557 PolarHBondContact O-N 2.88Å
558	D	72	Confident	70.4	Confident	80 Å²	80	73.8 Å²	73.8	43%	0.428	37%	0.368	S	S	.	.			trans	-82.1	115.1	176.5	-166.5	-39	0	0	0	109.9	F553 S556 T560 D561	F553-D558 WeakPolarHBondContact CD2-O 3.19Å; S556-D558 PolarHBondContact O-N 2.87Å; S556-D558 VanDerWaalsContact OG-CB 3.31Å; S556-D558 WeakPolarHBondContact OG-CB 3.36Å; S556-D558 PolarHBondContact OG-N 3.39Å; D558-T560 VanDerWaalsContact CG-OG1 3.28Å; D558-T560 PolarHBondContact O-N 2.94Å; D558-T560 VanDerWaalsContact O-N 3.1Å; D558-T560 WeakPolarHBondContact OD1-CB 3.34Å; D558-T560 WeakPolarHBondContact OD1-CG2 3.47Å; D558-T560 PolarHBondContact OD1-N 2.93Å; D558-T560 PolarHBondContact OD1-OG1 3.15Å; D558-D561 PolarHBondContact O-N 3.12Å
559	E	70.2	Confident	69.2	Low	96 Å²	96	69.9 Å²	69.9	45%	0.449	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-62.2	-17.2	-176.1	-66.7	160.4	-162.4	0	0	113.3	P476 D561 T562	P476-E559 WeakPolarHBondContact CB-OE2 3.17Å; P476-E559 HydrophobicContact CG-CG 4.37Å; P476-E559 WeakPolarHBondContact CG-OE1 3.5Å; E559-D561 PolarHBondContact O-N 3.34Å; E559-T562 WeakPolarHBondContact O-CB 3.31Å; E559-T562 PolarHBondContact O-N 3.48Å; E559-T562 PolarHBondContact O-OG1 3.12Å
560	T	75.4	Confident	68.1	Low	117 Å²	117	77.6 Å²	77.6	72%	0.718	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-64.6	-16.8	178.8	58.4	0	0	0	0	114.3	D558 T562	D558-T560 VanDerWaalsContact CG-OG1 3.28Å; D558-T560 PolarHBondContact O-N 2.94Å; D558-T560 VanDerWaalsContact O-N 3.1Å; D558-T560 WeakPolarHBondContact OD1-CB 3.34Å; D558-T560 WeakPolarHBondContact OD1-CG2 3.47Å; D558-T560 PolarHBondContact OD1-N 2.93Å; D558-T560 PolarHBondContact OD1-OG1 3.15Å; T560-T562 VanDerWaalsContact C-N 3.34Å
561	D	75.1	Confident	66.7	Low	44 Å²	44	84.7 Å²	84.7	24%	0.235	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-86.5	0.5	173.4	-69.3	-56.9	0	0	0	113.7	A549 T552 F553 D558 E559	A549-D561 HydrophobicContact CB-CB 4.49Å; T552-D561 VanDerWaalsContact CB-OD2 3.27Å; T552-D561 WeakPolarHBondContact CB-OD2 3.33Å; T552-D561 WeakPolarHBondContact CG2-OD2 3.18Å; F553-D561 HydrophobicContact CB-CB 3.98Å; D558-D561 PolarHBondContact O-N 3.12Å; E559-D561 PolarHBondContact O-N 3.34Å
562	T	81.3	Confident	65.8	Low	15 Å²	15	81.8 Å²	81.8	9%	0.092	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-103.1	158.7	-177.3	73.7	0	0	0	0	112.7	V542 F553 E559 T560	V542-T562 HydrophobicContact CG1-CG2 3.51Å; F553-T562 HydrophobicContact CD1-CG2 4.09Å; F553-T562 HydrophobicContact CD2-CG2 3.56Å; F553-T562 HydrophobicContact CE1-CG2 4.19Å; F553-T562 HydrophobicContact CE2-CG2 3.67Å; F553-T562 HydrophobicContact CG-CG2 3.79Å; F553-T562 HydrophobicContact CZ-CG2 3.99Å; E559-T562 WeakPolarHBondContact O-CB 3.31Å; E559-T562 PolarHBondContact O-N 3.48Å; E559-T562 PolarHBondContact O-OG1 3.12Å; T560-T562 VanDerWaalsContact C-N 3.34Å
563	L	81	Confident	65	Low	23 Å²	23	82.5 Å²	82.5	12%	0.12	43%	0.427	C	S	.	.			trans	-92	137.8	173.7	-61.8	-179.5	0	0	0	111	L515 L517 V525 P543 A545	L515-L563 HydrophobicContact CD1-CB 3.86Å; L515-L563 HydrophobicContact CD1-CD1 4.48Å; L515-L563 HydrophobicContact CD2-CB 4.21Å; L517-L563 HydrophobicContact CD2-CB 4.47Å; L517-L563 HydrophobicContact CD2-CD2 4.17Å; V525-L563 HydrophobicContact CG2-CD1 4.21Å; P543-L563 HydrophobicContact CB-CB 4.14Å; P543-L563 HydrophobicContact CB-CD1 4.49Å; P543-L563 HydrophobicContact CG-CB 4.05Å; P543-L563 PolarHBondContact O-N 3.43Å; A545-L563 HydrophobicContact CB-CD2 3.87Å; A545-L563 HydrophobicContact CB-CG 4.44Å
564	I	78	Confident	63.9	Low	78 Å²	78	83.3 Å²	83.3	40%	0.4	43%	0.434	S	S	.	.			trans	-112.5	118.8	178.2	-59.3	177.3	0	0	0	109.6	P469 S478	P469-I564 HydrophobicContact CG-CG2 3.85Å; S478-I564 WeakPolarHBondContact OG-CA 3.14Å
565	S	67.4	Low	63.3	Low	3 Å²	3	83.9 Å²	83.9	2%	0.021	44%	0.442	C	S	.	.			trans	-75.5	139.9	172.9	-177.1	0	0	0	0	110.9	W466 S478 A567	W466-S565 WeakPolarHBondContact O-CB 3.4Å; W466-S565 PolarHBondContact O-OG 3.39Å; S478-S565 PolarHBondContact OG-N 3.19Å; S565-A567 PolarHBondContact OG-N 2.86Å
566	H	65.3	Low	62.7	Low	131 Å²	131	77.8 Å²	77.8	61%	0.606	41%	0.413	S	S	*	.			trans	-103.7	-0.8	173	-120.7	-91.1	0	0	0	113.7	Q516 E568	Q516-H566 PolarHBondContact O-N 3.16Å; Q516-H566 VanDerWaalsContact O-N 3.12Å; H566-E568 PolarHBondContact O-N 3.24Å
567	A	56.3	Low	61.8	Low	21 Å²	21	79.1 Å²	79.1	17%	0.174	42%	0.422	C	S	.	.			trans	-78.4	120.2	-168	0	0	0	0	0	113	S565	S565-A567 PolarHBondContact OG-N 2.86Å
568	E	56.3	Low	61.1	Low	169 Å²	169	77 Å²	77	79%	0.79	42%	0.417	S	S	*	.			trans	-65.9	144.9	143.1	-70.2	-176	166.9	0	0	108	H566 Q570	H566-E568 PolarHBondContact O-N 3.24Å; E568-Q570 PolarHBondContact O-N 2.88Å
569	P	49.1	Very low	60.2	Low	45 Å²	45	73.5 Å²	73.5	29%	0.292	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	85.8	-167	29.7	-36.9	0	0	0	112.8	F465 F483 I490	F465-P569 HydrophobicContact CD2-CB 4.24Å; F465-P569 HydrophobicContact CE2-CB 3.99Å; F465-P569 HydrophobicContact CZ-CB 4.29Å; F483-P569 HydrophobicContact CD2-CB 4.17Å; F483-P569 HydrophobicContact CD2-CG 4.33Å; F483-P569 HydrophobicContact CE2-CB 4.37Å; F483-P569 HydrophobicContact CE2-CG 4.25Å; F483-P569 HydrophobicContact CG-CB 4.34Å; I490-P569 HydrophobicContact CD1-CG 4.41Å
570	Q	49.8	Very low	59.6	Low	177 Å²	177	70.2 Å²	70.2	83%	0.827	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132	-25.5	171.6	-69.5	-165.4	-11.1	0	0	115.1	E568	E568-Q570 PolarHBondContact O-N 2.88Å
571	E	44.2	Very low	58.7	Low	148 Å²	148	65 Å²	65	69%	0.692	36%	0.355	S	S	*	.	S	Bend	trans	-140.9	146.2	177.5	-59.3	-172.7	158.9	0	0	109.8
572	A	51.3	Low	57.6	Low	63 Å²	63	63 Å²	63	52%	0.521	35%	0.345	S	S	.	.			cis	-128	118.3	-4.2	0	0	0	0	0	109.8	S574	A572-S574 PolarHBondContact O-N 3.05Å
573	P	51	Low	56.1	Low	77 Å²	77	62.5 Å²	62.5	50%	0.5	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-72.6	118.2	-168.3	26.8	-35	0	0	0	113.4	V463	V463-P573 HydrophobicContact CB-CB 3.72Å; V463-P573 HydrophobicContact CG1-CB 3.67Å; V463-P573 HydrophobicContact CG2-CB 3.95Å
574	S	51.4	Low	54.3	Low	30 Å²	30	64 Å²	64	21%	0.21	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	138.6	157.3	74.3	0	0	0	0	109.5	L464 A572 A576	L464-S574 PolarHBondContact N-O 3.19Å; A572-S574 PolarHBondContact O-N 3.05Å; S574-A576 PolarHBondContact O-N 3.28Å
575	C	53.6	Low	52.6	Low	61 Å²	61	63.1 Å²	63.1	41%	0.412	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	119.4	176.8	171.1	0	0	0	0	109.1	C577 K578	C575-C577 PolarHBondContact O-N 2.95Å; C575-C577 VanDerWaalsContact O-N 3.08Å; C575-K578 HydrophobicContact CB-CD 4.44Å; C575-K578 PolarHBondContact O-N 3.39Å
576	A	51.2	Low	51.4	Low	7 Å²	7	68.1 Å²	68.1	6%	0.058	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-58.8	-32.1	-167.7	0	0	0	0	0	113.2	W462 L464 L482 S574 K578 T579	W462-A576 WeakPolarHBondContact O-CB 3.5Å; L464-A576 HydrophobicContact CD1-CB 3.88Å; L464-A576 HydrophobicContact CG-CB 4.18Å; L482-A576 HydrophobicContact CD2-CB 3.78Å; S574-A576 PolarHBondContact O-N 3.28Å; A576-K578 PolarHBondContact O-N 3.33Å; A576-T579 PolarHBondContact O-N 3.49Å
577	C	50.7	Low	50.3	Low	88 Å²	88	66.7 Å²	66.7	60%	0.595	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-62.9	-4.8	175.7	-45.2	0	0	0	0	115.3	C575	C575-C577 PolarHBondContact O-N 2.95Å; C575-C577 VanDerWaalsContact O-N 3.08Å
578	K	53.5	Low	49.7	Very low	143 Å²	143	70.7 Å²	70.7	62%	0.622	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-113.2	-14.8	-177.2	-67.9	-175.8	179.5	175.3	0	114.7	N511 C575 A576 S580	N511-K578 WeakPolarHBondContact CB-O 3.4Å; N511-K578 PolarHBondContact ND2-O 3.28Å; C575-K578 HydrophobicContact CB-CD 4.44Å; C575-K578 PolarHBondContact O-N 3.39Å; A576-K578 PolarHBondContact O-N 3.33Å; K578-S580 PolarHBondContact O-N 2.92Å
579	T	51.8	Low	49.1	Very low	7 Å²	7	65 Å²	65	4%	0.043	36%	0.355	C	S	.	.			trans	-76.2	116.6	176.7	-56.1	0	0	0	0	108.8	L464 N511 A576	L464-T579 HydrophobicContact CD1-CG2 4.26Å; N511-T579 WeakPolarHBondContact O-CB 3.29Å; N511-T579 PolarHBondContact O-OG1 2.81Å; A576-T579 PolarHBondContact O-N 3.49Å
580	S	58.1	Low	48.8	Very low	28 Å²	28	65.4 Å²	65.4	20%	0.196	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118	174.6	49.3	0	0	0	0	109.8	R510 K578 L582	R510-S580 PolarHBondContact N-O 3.11Å; R510-S580 PolarHBondContact O-N 3.04Å; K578-S580 PolarHBondContact O-N 2.92Å; S580-L582 PolarHBondContact O-N 2.9Å
581	A	55.7	Low	48.3	Very low	6 Å²	6	60.5 Å²	60.5	5%	0.05	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	129.1	162.6	0	0	0	0	0	108	V451 W495 L509	V451-A581 PolarHBondContact N-O 3.37Å; W495-A581 HydrophobicContact CH2-CB 3.53Å; W495-A581 HydrophobicContact CZ2-CB 4.2Å; W495-A581 HydrophobicContact CZ3-CB 4.09Å; L509-A581 HydrophobicContact CD2-CB 3.87Å
582	L	52.6	Low	47.8	Very low	3 Å²	3	56.5 Å²	56.5	2%	0.016	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	98.7	177.1	-168.8	152.1	0	0	0	108.2	E448 H449 E508 R510 S580 K584	E448-L582 HydrophobicContact CB-CD1 4.42Å; E448-L582 HydrophobicContact CB-CD2 4.26Å; E448-L582 HydrophobicContact CB-CG 4.11Å; E448-L582 HydrophobicContact CG-CD1 4.28Å; E448-L582 HydrophobicContact CG-CD2 3.88Å; E448-L582 HydrophobicContact CG-CG 4.16Å; H449-L582 WeakPolarHBondContact O-CA 3.08Å; E508-L582 HydrophobicContact CB-CD2 4.47Å; E508-L582 PolarHBondContact N-O 3.4Å; E508-L582 CarbonylContact O-C 3.58Å; E508-L582 WeakPolarHBondContact O-CA 3.31Å; E508-L582 WeakPolarHBondContact O-CB 3.48Å; E508-L582 PolarHBondContact O-N 3Å; R510-L582 VanDerWaalsContact NH1-CD1 3.25Å; R510-L582 VanDerWaalsContact NH2-CD1 3.28Å; S580-L582 PolarHBondContact O-N 2.9Å; L582-K584 HydrophobicContact CD2-CD 4.21Å; L582-K584 HydrophobicContact CD2-CG 3.4Å; L582-K584 VanDerWaalsContact CD2-CG 3.4Å; L582-K584 PolarHBondContact O-N 3.48Å
583	I	50.1	Low	47.1	Very low	4 Å²	4	61.2 Å²	61.2	2%	0.021	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	92.3	-175.6	-51.3	-176.1	0	0	0	109	H449 V451 L499 Y505 V507 R585	H449-I583 HydrophobicContact CB-CB 4.07Å; H449-I583 HydrophobicContact CB-CD1 4.1Å; H449-I583 HydrophobicContact CB-CG1 4.11Å; H449-I583 PolarHBondContact O-N 3.26Å; V451-I583 HydrophobicContact CG2-CD1 3.96Å; V451-I583 HydrophobicContact CG2-CG1 4.37Å; L499-I583 HydrophobicContact CD2-CD1 4.19Å; Y505-I583 HydrophobicContact CD2-CG2 4.26Å; Y505-I583 HydrophobicContact CE2-CD1 4.22Å; Y505-I583 HydrophobicContact CE2-CG2 4.16Å; V507-I583 HydrophobicContact CG1-CB 4.37Å; V507-I583 HydrophobicContact CG1-CG1 3.95Å; V507-I583 HydrophobicContact CG1-CG2 4.27Å; I583-R585 HydrophobicContact CG2-CG 4.2Å; I583-R585 PolarHBondContact O-N 2.95Å
584	K	43.1	Very low	46.6	Very low	56 Å²	56	63.6 Å²	63.6	24%	0.243	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	79.7	170.9	-77.6	-160.1	170.5	163.8	0	110.7	L446 E508 W527 L582 L586	L446-K584 HydrophobicContact CD1-CD 4.22Å; L446-K584 HydrophobicContact CD2-CB 3.72Å; L446-K584 HydrophobicContact CD2-CD 4Å; L446-K584 HydrophobicContact CD2-CG 3.9Å; E508-K584 HydrophobicContact CB-CD 4.35Å; E508-K584 HydrophobicContact CB-CG 4.25Å; E508-K584 IonicContact OE1-NZ 3.71Å; E508-K584 PolarHBondContact OE1-NZ 3.03Å; E508-K584 VanDerWaalsContact OE2-CD 3.3Å; E508-K584 WeakPolarHBondContact OE2-CD 3.47Å; E508-K584 WeakPolarHBondContact OE2-CE 3.39Å; E508-K584 IonicContact OE2-NZ 3.38Å; E508-K584 PolarHBondContact OE2-NZ 2.88Å; W527-K584 HydrophobicContact CH2-CD 4.16Å; L582-K584 HydrophobicContact CD2-CD 4.21Å; L582-K584 HydrophobicContact CD2-CG 3.4Å; L582-K584 VanDerWaalsContact CD2-CG 3.4Å; L582-K584 PolarHBondContact O-N 3.48Å; K584-L586 PolarHBondContact O-N 3.04Å
585	R	42	Very low	46.2	Very low	58 Å²	58	68 Å²	68	22%	0.219	38%	0.38	C	S	.	.			trans	-53.4	109.2	170.8	-76	-173.8	166.9	-169.2	-11.8	110.4	H449 P500 T501 I583 H587	H449-R585 WeakPolarHBondContact NE2-CD 3.05Å; H449-R585 PolarHBondContact NE2-NE 3.37Å; H449-R585 PolarHBondContact NE2-NH1 3.38Å; P500-R585 VanDerWaalsContact C-NH2 3.26Å; P500-R585 PolarHBondContact O-NH2 2.99Å; T501-R585 PolarHBondContact OG1-NH2 2.76Å; T501-R585 VanDerWaalsContact OG1-NH2 3.11Å; I583-R585 HydrophobicContact CG2-CG 4.2Å; I583-R585 PolarHBondContact O-N 2.95Å; R585-H587 PolarHBondContact O-N 2.69Å
586	L	43.1	Very low	45.8	Very low	109 Å²	109	66.7 Å²	66.7	57%	0.571	37%	0.37	S	S	*	.			trans	-57.7	113.4	144.3	-72.9	171	0	0	0	105.5	K584 P588	K584-L586 PolarHBondContact O-N 3.04Å; L586-P588 WeakPolarHBondContact O-CD 3.13Å; L586-P588 VanDerWaalsContact O-N 3.17Å
587	H	41.6	Very low	45.9	Very low	101 Å²	101	69.7 Å²	69.7	47%	0.468	40%	0.395	S	S	.	.			trans	-66.8	115.6	-179.2	-159.8	79.4	0	0	0	108.1	R585 F589	R585-H587 PolarHBondContact O-N 2.69Å; H587-F589 HydrophobicContact CB-CE1 4.22Å; H587-F589 HydrophobicContact CB-CZ 4.16Å; H587-F589 AromaticContact CD2-CD1 3.67Å; H587-F589 AromaticContact CD2-CE1 3.65Å; H587-F589 WeakPolarHBondContact O-CD2 3.31Å; H587-F589 PolarHBondContact O-N 2.73Å; H587-F589 VanDerWaalsContact O-N 3.08Å
588	P	43.7	Very low	46.1	Very low	104 Å²	104	66.7 Å²	66.7	68%	0.675	37%	0.374	S	S	*	.			trans	-74.3	104.1	176.5	30.2	-30.1	0	0	0	107.2	L586 D590	L586-P588 WeakPolarHBondContact O-CD 3.13Å; L586-P588 VanDerWaalsContact O-N 3.17Å; P588-D590 PolarHBondContact O-N 3.48Å
589	F	44.1	Very low	46.4	Very low	51 Å²	51	61.2 Å²	61.2	22%	0.224	35%	0.353	C	S	.	.			trans	-75.8	119.6	-177.7	-63.4	-71.8	0	0	0	111.2	H587 I591 L634 S636 D637 A640	H587-F589 HydrophobicContact CB-CE1 4.22Å; H587-F589 HydrophobicContact CB-CZ 4.16Å; H587-F589 AromaticContact CD2-CD1 3.67Å; H587-F589 AromaticContact CD2-CE1 3.65Å; H587-F589 WeakPolarHBondContact O-CD2 3.31Å; H587-F589 PolarHBondContact O-N 2.73Å; H587-F589 VanDerWaalsContact O-N 3.08Å; F589-I591 PolarHBondContact O-N 2.63Å; F589-L634 HydrophobicContact CD2-CD2 3.77Å; F589-L634 HydrophobicContact CD2-CG 4.14Å; F589-L634 HydrophobicContact CE2-CD2 3.48Å; F589-L634 VanDerWaalsContact CE2-CD2 3.48Å; F589-L634 HydrophobicContact CE2-CG 3.68Å; F589-L634 HydrophobicContact CZ-CD2 4.32Å; F589-L634 HydrophobicContact CZ-CG 4.04Å; F589-S636 WeakPolarHBondContact CD1-O 3.08Å; F589-D637 WeakPolarHBondContact CA-OD1 3.48Å; F589-A640 HydrophobicContact CB-CB 3.31Å; F589-A640 HydrophobicContact CD1-CB 4.29Å; F589-A640 HydrophobicContact CD2-CB 4.26Å; F589-A640 HydrophobicContact CG-CB 3.73Å
590	D	43	Very low	46.7	Very low	52 Å²	52	67.7 Å²	67.7	28%	0.278	39%	0.386	S	S	.	.			trans	-81.6	86.6	-177.7	-166.5	-26.4	0	0	0	111.1	P588 G592 R593 D637	P588-D590 PolarHBondContact O-N 3.48Å; D590-G592 PolarHBondContact O-N 2.76Å; D590-G592 WeakPolarHBondContact OD1-CA 3.42Å; D590-G592 PolarHBondContact OD1-N 2.85Å; D590-R593 PolarHBondContact OD1-N 2.93Å; D590-R593 WeakPolarHBondContact OD2-CD 3.43Å; D590-R593 VanDerWaalsContact OD2-CG 3.25Å; D590-R593 WeakPolarHBondContact OD2-CG 3.42Å; D590-R593 IonicContact OD2-CZ 2.73Å; D590-R593 IonicContact OD2-NE 3.38Å; D590-R593 PolarHBondContact OD2-NE 3.24Å; D590-R593 IonicContact OD2-NH2 3.9Å; D590-D637 PolarHBondContact N-OD1 3.11Å
591	I	38.3	Very low	47.1	Very low	75 Å²	75	71.9 Å²	71.9	39%	0.385	41%	0.406	S	S	.	.			trans	-77.1	-3.4	173.7	64.1	171.1	0	0	0	113.8	F589 A640 V641 F644 Q645	F589-I591 PolarHBondContact O-N 2.63Å; I591-A640 HydrophobicContact CG2-CB 3.58Å; I591-V641 HydrophobicContact CB-CG2 4.36Å; I591-V641 HydrophobicContact CG2-CG2 4.32Å; I591-F644 HydrophobicContact CD1-CB 4.34Å; I591-F644 HydrophobicContact CG2-CD2 4.37Å; I591-Q645 PolarHBondContact O-NE2 2.87Å; I591-Q645 VanDerWaalsContact O-NE2 3.08Å
592	G	34.4	Very low	47.3	Very low	63 Å²	63	72.7 Å²	72.7	65%	0.649	41%	0.409	S	S	*	.			trans	-98.3	-28.3	-172.7	0	0	0	0	0	114.2	D590 S594	D590-G592 PolarHBondContact O-N 2.76Å; D590-G592 WeakPolarHBondContact OD1-CA 3.42Å; D590-G592 PolarHBondContact OD1-N 2.85Å; G592-S594 PolarHBondContact O-N 3.21Å; G592-S594 VanDerWaalsContact O-N 3.14Å
593	R	35.3	Very low	47.3	Very low	163 Å²	163	73.3 Å²	73.3	62%	0.615	41%	0.413	S	S	*	.			trans	-59.9	115.8	175.5	-83.8	174	-161.3	-144.8	-1.4	111.4	D590 T595 T596	D590-R593 PolarHBondContact OD1-N 2.93Å; D590-R593 WeakPolarHBondContact OD2-CD 3.43Å; D590-R593 VanDerWaalsContact OD2-CG 3.25Å; D590-R593 WeakPolarHBondContact OD2-CG 3.42Å; D590-R593 IonicContact OD2-CZ 2.73Å; D590-R593 IonicContact OD2-NE 3.38Å; D590-R593 PolarHBondContact OD2-NE 3.24Å; D590-R593 IonicContact OD2-NH2 3.9Å; R593-T595 PolarHBondContact O-N 3.12Å; R593-T596 PolarHBondContact O-N 2.65Å; R593-T596 VanDerWaalsContact O-N 3.12Å
594	S	41	Very low	47.3	Very low	127 Å²	127	75.4 Å²	75.4	89%	0.888	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-11.8	-177.3	58.3	0	0	0	0	115.5	G592	G592-S594 PolarHBondContact O-N 3.21Å; G592-S594 VanDerWaalsContact O-N 3.14Å
595	T	42.7	Very low	47.8	Very low	122 Å²	122	76 Å²	76	75%	0.748	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-17.6	-179.5	51.9	0	0	0	0	114.3	R593 A597	R593-T595 PolarHBondContact O-N 3.12Å; T595-A597 PolarHBondContact O-N 3.28Å; T595-A597 VanDerWaalsContact O-N 3.14Å
596	T	46.7	Very low	48	Very low	33 Å²	33	77.9 Å²	77.9	20%	0.202	44%	0.444	C	S	.	.			trans	-78.9	102.6	-173.4	-55	0	0	0	0	110.3	R593 D637 V641	R593-T596 PolarHBondContact O-N 2.65Å; R593-T596 VanDerWaalsContact O-N 3.12Å; T596-D637 HydrophobicContact CG2-CB 3.75Å; T596-V641 HydrophobicContact CG2-CG2 4.05Å
597	A	52.5	Low	48.4	Very low	71 Å²	71	73.6 Å²	73.6	59%	0.587	42%	0.42	S	S	*	.			trans	-69.4	145.4	174	0	0	0	0	0	111.2	T595 S638	T595-A597 PolarHBondContact O-N 3.28Å; T595-A597 VanDerWaalsContact O-N 3.14Å; A597-S638 WeakPolarHBondContact O-CB 3.29Å; A597-S638 PolarHBondContact O-OG 2.7Å
598	P	54.3	Low	48.5	Very low	24 Å²	24	69.5 Å²	69.5	16%	0.156	40%	0.402	C	S	.	.			trans	-78.1	148.7	178.4	26.1	-33.2	0	0	0	115.3	L600 S638 V641 A642 L647	P598-L600 PolarHBondContact O-N 2.55Å; P598-S638 CarbonylContact C-O 3.53Å; P598-S638 VanDerWaalsContact C-OG 3.26Å; P598-S638 VanDerWaalsContact CA-O 3.31Å; P598-S638 WeakPolarHBondContact CA-O 3.26Å; P598-V641 HydrophobicContact CB-CB 4.15Å; P598-V641 HydrophobicContact CB-CG1 3.68Å; P598-V641 HydrophobicContact CG-CG1 4.13Å; P598-A642 HydrophobicContact CB-CB 4.06Å; P598-L647 HydrophobicContact CB-CD1 4.15Å; P598-L647 HydrophobicContact CB-CG 4.47Å; P598-L647 HydrophobicContact CG-CD1 3.53Å; P598-L647 HydrophobicContact CG-CD2 3.95Å; P598-L647 HydrophobicContact CG-CG 3.72Å
599	T	60.3	Low	48.7	Very low	29 Å²	29	72 Å²	72	18%	0.178	41%	0.405	C	S	.	.			trans	-68.3	95.5	174.5	-60.2	0	0	0	0	111.7	N601 K602 C603 S638 D639 A642	T599-N601 VanDerWaalsContact C-N 3.29Å; T599-N601 WeakPolarHBondContact CG2-OD1 3.32Å; T599-N601 PolarHBondContact O-N 2.92Å; T599-K602 HydrophobicContact CG2-CB 4.25Å; T599-K602 HydrophobicContact CG2-CD 4.13Å; T599-K602 HydrophobicContact CG2-CG 3.89Å; T599-K602 PolarHBondContact O-N 2.98Å; T599-C603 VanDerWaalsContact C-SG 3.57Å; T599-C603 PolarHBondContact O-N 3.1Å; T599-C603 PolarHBondContact O-SG 3.24Å; T599-S638 PolarHBondContact N-O 2.81Å; T599-S638 PolarHBondContact N-OG 2.79Å; T599-S638 VanDerWaalsContact OG1-C 3.24Å; T599-S638 VanDerWaalsContact OG1-CB 3.26Å; T599-S638 WeakPolarHBondContact OG1-CB 3.48Å; T599-S638 PolarHBondContact OG1-O 2.82Å; T599-S638 PolarHBondContact OG1-OG 2.76Å; T599-S638 VanDerWaalsContact OG1-OG 3.08Å; T599-D639 WeakPolarHBondContact CB-OD1 3.29Å; T599-D639 VanDerWaalsContact CG2-OD1 3.25Å; T599-D639 WeakPolarHBondContact CG2-OD1 3.27Å; T599-D639 PolarHBondContact OG1-N 2.79Å; T599-D639 PolarHBondContact OG1-OD1 3.18Å; T599-A642 WeakPolarHBondContact O-CB 3.48Å
600	L	58	Low	49	Very low	142 Å²	142	72 Å²	72	74%	0.743	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-33	-168.7	-68.2	173.7	0	0	0	116.1	P598 C603 L647	P598-L600 PolarHBondContact O-N 2.55Å; L600-C603 WeakPolarHBondContact O-CB 3.45Å; L600-L647 HydrophobicContact CD2-CD1 4.37Å
601	N	66	Low	50.4	Low	116 Å²	116	72.5 Å²	72.5	62%	0.62	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-17.9	-179.1	67.3	-18.6	0	0	0	114.1	T599 R605	T599-N601 VanDerWaalsContact C-N 3.29Å; T599-N601 WeakPolarHBondContact CG2-OD1 3.32Å; T599-N601 PolarHBondContact O-N 2.92Å; N601-R605 PolarHBondContact O-NE 3.02Å
602	K	61.4	Low	52.1	Low	24 Å²	24	72.2 Å²	72.2	10%	0.104	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-16.1	171.9	-57.7	-171.6	-164.7	171.9	0	112.3	T599 G604 R605 W607 L628 D633 E635 D639 A642	T599-K602 HydrophobicContact CG2-CB 4.25Å; T599-K602 HydrophobicContact CG2-CD 4.13Å; T599-K602 HydrophobicContact CG2-CG 3.89Å; T599-K602 PolarHBondContact O-N 2.98Å; K602-G604 PolarHBondContact O-N 2.56Å; K602-R605 WeakPolarHBondContact O-CB 3.32Å; K602-R605 WeakPolarHBondContact O-CG 3.33Å; K602-R605 PolarHBondContact O-N 2.89Å; K602-W607 HydrophobicContact CB-CZ2 3.98Å; K602-W607 HydrophobicContact CD-CH2 4.09Å; K602-W607 HydrophobicContact CD-CZ2 4.35Å; K602-L628 HydrophobicContact CB-CD1 3.72Å; K602-L628 HydrophobicContact CD-CD1 4.19Å; K602-L628 HydrophobicContact CG-CD1 3.79Å; K602-D633 WeakPolarHBondContact CD-O 3.37Å; K602-D633 WeakPolarHBondContact CE-O 3.48Å; K602-D633 PolarHBondContact NZ-O 2.85Å; K602-E635 IonicContact NZ-OE2 3.34Å; K602-E635 PolarHBondContact NZ-OE2 3.45Å; K602-D639 HydrophobicContact CD-CB 4.17Å; K602-D639 VanDerWaalsContact CD-OD1 3.25Å; K602-D639 WeakPolarHBondContact CD-OD1 3.25Å; K602-D639 VanDerWaalsContact CE-OD1 3.3Å; K602-D639 WeakPolarHBondContact CE-OD1 3.33Å; K602-D639 IonicContact NZ-OD1 2.9Å; K602-D639 PolarHBondContact NZ-OD1 3Å; K602-D639 IonicContact NZ-OD2 3.25Å; K602-D639 PolarHBondContact NZ-OD2 3.22Å; K602-A642 HydrophobicContact CB-CB 4.27Å
603	C	52.2	Low	53.2	Low	15 Å²	15	70.3 Å²	70.3	10%	0.101	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	124.2	178.9	-64.6	0	0	0	0	113.2	T599 L600 R605 A642 L647	T599-C603 VanDerWaalsContact C-SG 3.57Å; T599-C603 PolarHBondContact O-N 3.1Å; T599-C603 PolarHBondContact O-SG 3.24Å; L600-C603 WeakPolarHBondContact O-CB 3.45Å; C603-R605 PolarHBondContact O-N 2.97Å; C603-A642 HydrophobicContact CB-CB 4.5Å; C603-A642 WeakPolarHBondContact SG-CB 3.48Å; C603-L647 HydrophobicContact CB-CD1 4Å; C603-L647 WeakPolarHBondContact SG-CD1 3.26Å
604	G	49.5	Very low	54.7	Low	48 Å²	48	62.6 Å²	62.6	50%	0.495	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	22	179.5	0	0	0	0	0	114.1	K602 R651	K602-G604 PolarHBondContact O-N 2.56Å; G604-R651 PolarHBondContact O-NH1 3.36Å
605	R	53.3	Low	56.4	Low	69 Å²	69	59.6 Å²	59.6	26%	0.26	34%	0.341	S	S	.	.			trans	-78.5	158	154.2	-57.3	-69.2	-168.7	168	3.6	108.3	N601 K602 C603 E625 L628	N601-R605 PolarHBondContact O-NE 3.02Å; K602-R605 WeakPolarHBondContact O-CB 3.32Å; K602-R605 WeakPolarHBondContact O-CG 3.33Å; K602-R605 PolarHBondContact O-N 2.89Å; C603-R605 PolarHBondContact O-N 2.97Å; R605-E625 WeakPolarHBondContact CD-O 3.33Å; R605-E625 VanDerWaalsContact CZ-O 3.26Å; R605-E625 IonicContact CZ-OE2 2.81Å; R605-E625 PolarHBondContact NE-O 3.48Å; R605-E625 VanDerWaalsContact NH1-C 3.3Å; R605-E625 PolarHBondContact NH1-O 2.87Å; R605-E625 IonicContact NH1-OE2 3.38Å; R605-E625 PolarHBondContact NH1-OE2 3.34Å; R605-E625 IonicContact NH2-OE2 2.95Å; R605-E625 PolarHBondContact NH2-OE2 2.84Å; R605-L628 HydrophobicContact CB-CD1 3.74Å; R605-L628 HydrophobicContact CB-CG 3.85Å; R605-L628 HydrophobicContact CG-CD1 3.86Å; R605-L628 HydrophobicContact CG-CG 4.16Å
606	W	45.8	Very low	57.5	Low	97 Å²	97	60.9 Å²	60.9	37%	0.367	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	136.5	175.6	-68.7	86.7	0	0	0	110	W94 L626 Y627 L628	W94-W606 HydrophobicContact CE3-CE3 4.13Å; W94-W606 HydrophobicContact CE3-CZ3 4Å; W94-W606 WeakPolarHBondContact O-CH2 3.37Å; W606-L626 PolarHBondContact N-O 3.36Å; W606-Y627 HydrophobicContact CB-CD1 3.56Å; W606-Y627 HydrophobicContact CB-CE1 3.67Å; W606-Y627 HydrophobicContact CB-CG 4.41Å; W606-Y627 HydrophobicContact CG-CD1 4.38Å; W606-Y627 HydrophobicContact CG-CE1 4.01Å; W606-Y627 CarbonylContact O-C 3.57Å; W606-Y627 VanDerWaalsContact O-CA 3.28Å; W606-Y627 WeakPolarHBondContact O-CA 3.42Å; W606-L628 PolarHBondContact O-N 3.22Å
607	W	52.4	Low	57.6	Low	19 Å²	19	61.8 Å²	61.8	7%	0.072	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.2	-175.4	-67.3	83.4	0	0	0	111.6	K602 L628 Y630 D633 L634 A643	K602-W607 HydrophobicContact CB-CZ2 3.98Å; K602-W607 HydrophobicContact CD-CH2 4.09Å; K602-W607 HydrophobicContact CD-CZ2 4.35Å; W607-L628 CarbonylContact C-O 3.56Å; W607-L628 VanDerWaalsContact CA-O 3.32Å; W607-L628 WeakPolarHBondContact CA-O 3.44Å; W607-L628 HydrophobicContact CD2-CB 3.99Å; W607-L628 HydrophobicContact CE3-CB 3.84Å; W607-L628 HydrophobicContact CH2-CB 4.4Å; W607-L628 HydrophobicContact CH2-CD1 3.93Å; W607-L628 HydrophobicContact CZ2-CD1 3.69Å; W607-L628 HydrophobicContact CZ3-CB 4.04Å; W607-L628 HydrophobicContact CZ3-CD1 4.41Å; W607-Y630 HydrophobicContact CB-CD1 4.09Å; W607-Y630 HydrophobicContact CB-CE1 3.44Å; W607-Y630 VanDerWaalsContact CB-CE1 3.44Å; W607-Y630 HydrophobicContact CB-CE2 3.96Å; W607-Y630 HydrophobicContact CD2-CD1 4.1Å; W607-Y630 AromaticContact CD2-CE1 3.94Å; W607-Y630 HydrophobicContact CD2-CE1 3.94Å; W607-Y630 AromaticContact CE3-CD1 3.6Å; W607-Y630 HydrophobicContact CE3-CD1 3.6Å; W607-Y630 AromaticContact CE3-CE1 3.93Å; W607-Y630 HydrophobicContact CE3-CE1 3.93Å; W607-Y630 HydrophobicContact CE3-CG 4.33Å; W607-Y630 HydrophobicContact CG-CD1 4.35Å; W607-Y630 AromaticContact CG-CE1 3.78Å; W607-Y630 HydrophobicContact CG-CE1 3.78Å; W607-Y630 HydrophobicContact CZ3-CD1 4.31Å; W607-D633 HydrophobicContact CH2-CB 4.32Å; W607-D633 HydrophobicContact CZ3-CB 3.94Å; W607-L634 HydrophobicContact CH2-CB 4.23Å; W607-L634 HydrophobicContact CH2-CD1 4.05Å; W607-L634 HydrophobicContact CZ3-CB 3.81Å; W607-L634 HydrophobicContact CZ3-CD1 4.21Å; W607-A643 HydrophobicContact CD2-CB 4Å; W607-A643 VanDerWaalsContact CE2-CB 3.47Å; W607-A643 HydrophobicContact CG-CB 4.35Å; W607-A643 HydrophobicContact CH2-CB 4.37Å; W607-A643 HydrophobicContact CZ2-CB 3.67Å
608	T	44	Very low	58.1	Low	16 Å²	16	58.7 Å²	58.7	10%	0.098	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	166.4	171.7	65.7	0	0	0	0	110.8	T610 A613 S614 I617 L628 A629 Y630	T608-T610 PolarHBondContact OG1-O 3.09Å; T608-A613 HydrophobicContact CG2-CB 4.48Å; T608-S614 WeakPolarHBondContact OG1-CA 3.24Å; T608-S614 VanDerWaalsContact OG1-CB 3.28Å; T608-S614 WeakPolarHBondContact OG1-CB 3.09Å; T608-S614 PolarHBondContact OG1-N 3.24Å; T608-S614 VanDerWaalsContact OG1-N 3.11Å; T608-I617 HydrophobicContact CG2-CD1 3.99Å; T608-L628 PolarHBondContact N-O 3.28Å; T608-L628 PolarHBondContact OG1-O 2.61Å; T608-A629 CarbonylContact O-C 3.46Å; T608-A629 VanDerWaalsContact O-CA 3.22Å; T608-A629 WeakPolarHBondContact O-CA 3.4Å; T608-Y630 WeakPolarHBondContact O-CD2 3.36Å; T608-Y630 PolarHBondContact O-N 2.93Å
609	E	46.6	Very low	58.6	Low	157 Å²	157	66.1 Å²	66.1	73%	0.734	33%	0.334	S	S	*	.	S	Bend	trans	-61.9	-61.4	174.8	-173.1	179.8	-164.8	0	0	112.2	E631	E609-E631 WeakPolarHBondContact O-CB 3.41Å; E609-E631 PolarHBondContact O-N 3.2Å; E609-E631 VanDerWaalsContact O-N 3.17Å
610	T	51.1	Low	58.5	Low	51 Å²	51	71.8 Å²	71.8	31%	0.313	36%	0.359	S	S	.	.	S	Bend	trans	-109.5	155.2	-174.6	62.3	0	0	0	0	113	T608 A612 A613 S614 A629 E631	T608-T610 PolarHBondContact OG1-O 3.09Å; T610-A612 VanDerWaalsContact C-N 3.29Å; T610-A612 PolarHBondContact O-N 3.47Å; T610-A613 PolarHBondContact O-N 2.87Å; T610-A613 PolarHBondContact OG1-N 3.36Å; T610-S614 PolarHBondContact O-N 3.41Å; T610-A629 WeakPolarHBondContact O-CB 3.22Å; T610-E631 VanDerWaalsContact CA-OE2 3.24Å; T610-E631 WeakPolarHBondContact CA-OE2 3.46Å; T610-E631 WeakPolarHBondContact CB-OE2 3.09Å
611	K	73.5	Confident	58.1	Low	62 Å²	62	67.9 Å²	67.9	27%	0.27	34%	0.343	S	S	.	.	H	α-helix	trans	-62.7	-36.7	178.7	-167.9	52.9	154.8	-160.9	0	112.6	A613 S614 D615 A629 E631 T632 D633	K611-A613 VanDerWaalsContact C-N 3.28Å; K611-A613 PolarHBondContact O-N 3.29Å; K611-S614 WeakPolarHBondContact O-CB 3.41Å; K611-S614 PolarHBondContact O-N 3.43Å; K611-D615 WeakPolarHBondContact O-CB 3.38Å; K611-D615 VanDerWaalsContact O-CG 3.28Å; K611-D615 PolarHBondContact O-N 3.39Å; K611-A629 HydrophobicContact CB-CB 4.28Å; K611-A629 HydrophobicContact CD-CB 4.26Å; K611-E631 PolarHBondContact N-OE2 2.93Å; K611-E631 VanDerWaalsContact N-OE2 3.12Å; K611-T632 HydrophobicContact CB-CG2 3.88Å; K611-T632 WeakPolarHBondContact CD-OG1 3.19Å; K611-T632 HydrophobicContact CG-CG2 4.34Å; K611-D633 VanDerWaalsContact NZ-CG 3.3Å; K611-D633 IonicContact NZ-OD1 3.3Å; K611-D633 PolarHBondContact NZ-OD1 3.31Å; K611-D633 IonicContact NZ-OD2 3.92Å; K611-D633 PolarHBondContact NZ-OD2 2.84Å
612	A	73.1	Confident	57.3	Low	68 Å²	68	65.1 Å²	65.1	56%	0.562	34%	0.341	S	S	*	.	H	α-helix	trans	-60.4	-35.4	176.3	0	0	0	0	0	113	T610 R616	T610-A612 VanDerWaalsContact C-N 3.29Å; T610-A612 PolarHBondContact O-N 3.47Å; A612-R616 VanDerWaalsContact O-CB 3.28Å; A612-R616 WeakPolarHBondContact O-CB 3.21Å; A612-R616 PolarHBondContact O-N 3.43Å
613	A	57.2	Low	57.1	Low	24 Å²	24	66.5 Å²	66.5	20%	0.198	35%	0.354	C	S	.	.	H	α-helix	trans	-69.6	-48.3	175.6	0	0	0	0	0	111.6	T608 T610 K611 D615 R616 I617	T608-A613 HydrophobicContact CG2-CB 4.48Å; T610-A613 PolarHBondContact O-N 2.87Å; T610-A613 PolarHBondContact OG1-N 3.36Å; K611-A613 VanDerWaalsContact C-N 3.28Å; K611-A613 PolarHBondContact O-N 3.29Å; A613-D615 PolarHBondContact O-N 2.7Å; A613-R616 PolarHBondContact O-N 3.06Å; A613-I617 WeakPolarHBondContact O-CG1 3.46Å; A613-I617 PolarHBondContact O-N 3.19Å
614	S	67.2	Low	57.3	Low	1 Å²	1	70.9 Å²	70.9	1%	0.007	38%	0.382	C	S	.	.	H	α-helix	trans	-51.3	-55.5	172.3	164.6	0	0	0	0	110.7	T608 T610 K611 R616 I617 A618 Y627	T608-S614 WeakPolarHBondContact OG1-CA 3.24Å; T608-S614 VanDerWaalsContact OG1-CB 3.28Å; T608-S614 WeakPolarHBondContact OG1-CB 3.09Å; T608-S614 PolarHBondContact OG1-N 3.24Å; T608-S614 VanDerWaalsContact OG1-N 3.11Å; T610-S614 PolarHBondContact O-N 3.41Å; K611-S614 WeakPolarHBondContact O-CB 3.41Å; K611-S614 PolarHBondContact O-N 3.43Å; S614-R616 VanDerWaalsContact C-N 3.31Å; S614-R616 PolarHBondContact O-N 3.3Å; S614-I617 PolarHBondContact O-N 3.48Å; S614-A618 WeakPolarHBondContact O-CB 3.5Å; S614-A618 PolarHBondContact O-N 3.17Å; S614-Y627 WeakPolarHBondContact OG-CB 3.49Å; S614-Y627 PolarHBondContact OG-O 3.16Å
615	D	77.8	Confident	58	Low	64 Å²	64	74.8 Å²	74.8	34%	0.342	39%	0.387	S	S	.	.	H	α-helix	trans	-64.7	-33.8	-177	-66.7	-4.4	0	0	0	112.5	K611 A613 R619	K611-D615 WeakPolarHBondContact O-CB 3.38Å; K611-D615 VanDerWaalsContact O-CG 3.28Å; K611-D615 PolarHBondContact O-N 3.39Å; A613-D615 PolarHBondContact O-N 2.7Å; D615-R619 WeakPolarHBondContact O-CB 3.4Å; D615-R619 VanDerWaalsContact O-CG 3.27Å; D615-R619 WeakPolarHBondContact O-CG 3.47Å; D615-R619 PolarHBondContact O-N 3.27Å; D615-R619 PolarHBondContact O-NE 3.15Å
616	R	63.7	Low	58.5	Low	149 Å²	149	74.3 Å²	74.3	56%	0.562	39%	0.389	S	S	*	.	H	α-helix	trans	-64.6	-49.8	174.6	-173.8	-177.5	73.8	-165.9	0.6	110.7	A612 A613 S614 R619 Q620	A612-R616 VanDerWaalsContact O-CB 3.28Å; A612-R616 WeakPolarHBondContact O-CB 3.21Å; A612-R616 PolarHBondContact O-N 3.43Å; A613-R616 PolarHBondContact O-N 3.06Å; S614-R616 VanDerWaalsContact C-N 3.31Å; S614-R616 PolarHBondContact O-N 3.3Å; R616-R619 PolarHBondContact O-N 3.29Å; R616-Q620 WeakPolarHBondContact O-CB 3.38Å; R616-Q620 VanDerWaalsContact O-CG 3.31Å; R616-Q620 WeakPolarHBondContact O-CG 3.14Å; R616-Q620 PolarHBondContact O-N 3.12Å
617	I	49.1	Very low	59.1	Low	52 Å²	52	71.7 Å²	71.7	27%	0.267	38%	0.38	S	S	.	.	H	α-helix	trans	-64.6	-48.6	179.8	-64.6	168.6	0	0	0	109.8	T608 A613 S614 R619 Q620 C621 Y627	T608-I617 HydrophobicContact CG2-CD1 3.99Å; A613-I617 WeakPolarHBondContact O-CG1 3.46Å; A613-I617 PolarHBondContact O-N 3.19Å; S614-I617 PolarHBondContact O-N 3.48Å; I617-R619 VanDerWaalsContact C-N 3.27Å; I617-R619 PolarHBondContact O-N 3.49Å; I617-Q620 WeakPolarHBondContact O-CA 3.24Å; I617-Q620 PolarHBondContact O-N 3.06Å; I617-C621 PolarHBondContact O-N 2.81Å; I617-C621 PolarHBondContact O-SG 3.03Å; I617-Y627 HydrophobicContact CB-CD1 4.43Å; I617-Y627 HydrophobicContact CB-CE1 4.47Å; I617-Y627 HydrophobicContact CG2-CD1 3.89Å; I617-Y627 HydrophobicContact CG2-CD2 4.33Å; I617-Y627 HydrophobicContact CG2-CE1 3.47Å; I617-Y627 VanDerWaalsContact CG2-CE1 3.47Å; I617-Y627 HydrophobicContact CG2-CE2 3.98Å; I617-Y627 HydrophobicContact CG2-CG 4.31Å
618	A	64.5	Low	59.7	Low	6 Å²	6	71.8 Å²	71.8	5%	0.05	38%	0.382	C	S	.	.	H	α-helix	trans	-57.5	-36.9	179.3	0	0	0	0	0	113	S614 G622 C623 Y627	S614-A618 WeakPolarHBondContact O-CB 3.5Å; S614-A618 PolarHBondContact O-N 3.17Å; A618-G622 CarbonylContact O-C 3.59Å; A618-G622 WeakPolarHBondContact O-CA 3.02Å; A618-G622 PolarHBondContact O-N 3.49Å; A618-C623 PolarHBondContact O-N 2.76Å; A618-Y627 HydrophobicContact CB-CD2 3.91Å; A618-Y627 HydrophobicContact CB-CG 4.5Å
619	R	64	Low	60.5	Low	180 Å²	180	71 Å²	71	68%	0.679	38%	0.377	S	S	*	.	H	α-helix	trans	-69.9	-40.3	170.8	-78.1	175.2	-69.4	-153.7	-2	113	D615 R616 I617	D615-R619 WeakPolarHBondContact O-CB 3.4Å; D615-R619 VanDerWaalsContact O-CG 3.27Å; D615-R619 WeakPolarHBondContact O-CG 3.47Å; D615-R619 PolarHBondContact O-N 3.27Å; D615-R619 PolarHBondContact O-NE 3.15Å; R616-R619 PolarHBondContact O-N 3.29Å; I617-R619 VanDerWaalsContact C-N 3.27Å; I617-R619 PolarHBondContact O-N 3.49Å
620	Q	57.3	Low	60.9	Low	148 Å²	148	67.8 Å²	67.8	69%	0.692	36%	0.359	S	S	*	.	H	α-helix	trans	-69	-36.8	-179.6	-75.9	173.7	-30.6	0	0	113	R616 I617	R616-Q620 WeakPolarHBondContact O-CB 3.38Å; R616-Q620 VanDerWaalsContact O-CG 3.31Å; R616-Q620 WeakPolarHBondContact O-CG 3.14Å; R616-Q620 PolarHBondContact O-N 3.12Å; I617-Q620 WeakPolarHBondContact O-CA 3.24Å; I617-Q620 PolarHBondContact O-N 3.06Å
621	C	50.9	Low	61.3	Low	60 Å²	60	71 Å²	71	41%	0.405	37%	0.37	S	S	.	.	H	α-helix	trans	-92.9	-7.3	176.7	67.4	0	0	0	0	114.1	I617 C623 Y627	I617-C621 PolarHBondContact O-N 2.81Å; I617-C621 PolarHBondContact O-SG 3.03Å; C621-C623 VanDerWaalsContact C-N 3.31Å; C621-C623 PolarHBondContact O-N 3.29Å; C621-Y627 WeakPolarHBondContact SG-CE2 3.48Å
622	G	49.2	Very low	61.2	Low	57 Å²	57	70.7 Å²	70.7	59%	0.588	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	17.1	-178.9	0	0	0	0	0	115.1	A618 P624	A618-G622 CarbonylContact O-C 3.59Å; A618-G622 WeakPolarHBondContact O-CA 3.02Å; A618-G622 PolarHBondContact O-N 3.49Å; G622-P624 WeakPolarHBondContact O-CD 3.34Å
623	C	56.2	Low	61.5	Low	54 Å²	54	68.9 Å²	68.9	37%	0.365	35%	0.354	S	S	.	.			trans	-114.1	75.2	-176	-63.7	0	0	0	0	111.4	A618 C621 E625 L626 Y627	A618-C623 PolarHBondContact O-N 2.76Å; C621-C623 VanDerWaalsContact C-N 3.31Å; C621-C623 PolarHBondContact O-N 3.29Å; C623-E625 VanDerWaalsContact C-N 3.3Å; C623-E625 PolarHBondContact O-N 3.02Å; C623-E625 VanDerWaalsContact O-N 3.16Å; C623-L626 HydrophobicContact CB-CB 3.86Å; C623-L626 HydrophobicContact CB-CD2 4.35Å; C623-L626 PolarHBondContact O-N 3.02Å; C623-L626 VanDerWaalsContact O-N 3.12Å; C623-Y627 HydrophobicContact CB-CE2 4.48Å
624	P	57.7	Low	61.8	Low	106 Å²	106	68.5 Å²	68.5	69%	0.688	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-33.1	-167.3	20.8	-33.5	0	0	0	115.1	G622	G622-P624 WeakPolarHBondContact O-CD 3.34Å
625	E	64.1	Low	61.9	Low	131 Å²	131	74.2 Å²	74.2	61%	0.612	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-9.2	-178.7	-56.5	-174.9	-173.1	0	0	114.5	R605 C623 Y627	R605-E625 WeakPolarHBondContact CD-O 3.33Å; R605-E625 VanDerWaalsContact CZ-O 3.26Å; R605-E625 IonicContact CZ-OE2 2.81Å; R605-E625 PolarHBondContact NE-O 3.48Å; R605-E625 VanDerWaalsContact NH1-C 3.3Å; R605-E625 PolarHBondContact NH1-O 2.87Å; R605-E625 IonicContact NH1-OE2 3.38Å; R605-E625 PolarHBondContact NH1-OE2 3.34Å; R605-E625 IonicContact NH2-OE2 2.95Å; R605-E625 PolarHBondContact NH2-OE2 2.84Å; C623-E625 VanDerWaalsContact C-N 3.3Å; C623-E625 PolarHBondContact O-N 3.02Å; C623-E625 VanDerWaalsContact O-N 3.16Å; E625-Y627 PolarHBondContact O-N 3.33Å
626	L	63	Low	61.4	Low	58 Å²	58	73.2 Å²	73.2	30%	0.304	37%	0.373	S	S	.	.	S	Bend	trans	-75.3	-17.5	-167.7	-162.4	72.8	0	0	0	112.5	W606 C623	W606-L626 PolarHBondContact N-O 3.36Å; C623-L626 HydrophobicContact CB-CB 3.86Å; C623-L626 HydrophobicContact CB-CD2 4.35Å; C623-L626 PolarHBondContact O-N 3.02Å; C623-L626 VanDerWaalsContact O-N 3.12Å
627	Y	58.1	Low	61.3	Low	43 Å²	43	68.2 Å²	68.2	17%	0.169	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.7	-175.6	-58.2	-92.8	0	0	0	111	W606 S614 I617 A618 C621 C623 E625	W606-Y627 HydrophobicContact CB-CD1 3.56Å; W606-Y627 HydrophobicContact CB-CE1 3.67Å; W606-Y627 HydrophobicContact CB-CG 4.41Å; W606-Y627 HydrophobicContact CG-CD1 4.38Å; W606-Y627 HydrophobicContact CG-CE1 4.01Å; W606-Y627 CarbonylContact O-C 3.57Å; W606-Y627 VanDerWaalsContact O-CA 3.28Å; W606-Y627 WeakPolarHBondContact O-CA 3.42Å; S614-Y627 WeakPolarHBondContact OG-CB 3.49Å; S614-Y627 PolarHBondContact OG-O 3.16Å; I617-Y627 HydrophobicContact CB-CD1 4.43Å; I617-Y627 HydrophobicContact CB-CE1 4.47Å; I617-Y627 HydrophobicContact CG2-CD1 3.89Å; I617-Y627 HydrophobicContact CG2-CD2 4.33Å; I617-Y627 HydrophobicContact CG2-CE1 3.47Å; I617-Y627 VanDerWaalsContact CG2-CE1 3.47Å; I617-Y627 HydrophobicContact CG2-CE2 3.98Å; I617-Y627 HydrophobicContact CG2-CG 4.31Å; A618-Y627 HydrophobicContact CB-CD2 3.91Å; A618-Y627 HydrophobicContact CB-CG 4.5Å; C621-Y627 WeakPolarHBondContact SG-CE2 3.48Å; C623-Y627 HydrophobicContact CB-CE2 4.48Å; E625-Y627 PolarHBondContact O-N 3.33Å
628	L	65.9	Low	62	Low	21 Å²	21	67.3 Å²	67.3	11%	0.11	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	162	174.4	-63.5	-177.9	0	0	0	108.2	K602 R605 W606 W607 T608 D633	K602-L628 HydrophobicContact CB-CD1 3.72Å; K602-L628 HydrophobicContact CD-CD1 4.19Å; K602-L628 HydrophobicContact CG-CD1 3.79Å; R605-L628 HydrophobicContact CB-CD1 3.74Å; R605-L628 HydrophobicContact CB-CG 3.85Å; R605-L628 HydrophobicContact CG-CD1 3.86Å; R605-L628 HydrophobicContact CG-CG 4.16Å; W606-L628 PolarHBondContact O-N 3.22Å; W607-L628 CarbonylContact C-O 3.56Å; W607-L628 VanDerWaalsContact CA-O 3.32Å; W607-L628 WeakPolarHBondContact CA-O 3.44Å; W607-L628 HydrophobicContact CD2-CB 3.99Å; W607-L628 HydrophobicContact CE3-CB 3.84Å; W607-L628 HydrophobicContact CH2-CB 4.4Å; W607-L628 HydrophobicContact CH2-CD1 3.93Å; W607-L628 HydrophobicContact CZ2-CD1 3.69Å; W607-L628 HydrophobicContact CZ3-CB 4.04Å; W607-L628 HydrophobicContact CZ3-CD1 4.41Å; T608-L628 PolarHBondContact N-O 3.28Å; T608-L628 PolarHBondContact OG1-O 2.61Å; L628-D633 HydrophobicContact CB-CB 3.91Å; L628-D633 HydrophobicContact CD1-CB 4.46Å; L628-D633 HydrophobicContact CD2-CB 4.09Å; L628-D633 HydrophobicContact CG-CB 4.37Å
629	A	59.7	Low	61.9	Low	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	140.6	173.9	0	0	0	0	0	112	T608 T610 K611 E631 T632 D633	T608-A629 CarbonylContact O-C 3.46Å; T608-A629 VanDerWaalsContact O-CA 3.22Å; T608-A629 WeakPolarHBondContact O-CA 3.4Å; T610-A629 WeakPolarHBondContact O-CB 3.22Å; K611-A629 HydrophobicContact CB-CB 4.28Å; K611-A629 HydrophobicContact CD-CB 4.26Å; A629-E631 VanDerWaalsContact C-N 3.3Å; A629-E631 PolarHBondContact O-N 2.84Å; A629-T632 PolarHBondContact O-N 3.47Å; A629-D633 PolarHBondContact N-OD2 3.45Å; A629-D633 WeakPolarHBondContact O-CA 3.42Å; A629-D633 WeakPolarHBondContact O-CB 3.28Å; A629-D633 PolarHBondContact O-N 3.42Å
630	Y	56.1	Low	61.5	Low	89 Å²	89	58.7 Å²	58.7	35%	0.349	32%	0.323	S	S	.	.	H	α-helix	trans	-60.3	-42.8	177.4	-62.7	-59.9	0	0	0	111.2	W607 T608 T632 L634 A643 F644	W607-Y630 HydrophobicContact CB-CD1 4.09Å; W607-Y630 HydrophobicContact CB-CE1 3.44Å; W607-Y630 VanDerWaalsContact CB-CE1 3.44Å; W607-Y630 HydrophobicContact CB-CE2 3.96Å; W607-Y630 HydrophobicContact CD2-CD1 4.1Å; W607-Y630 AromaticContact CD2-CE1 3.94Å; W607-Y630 HydrophobicContact CD2-CE1 3.94Å; W607-Y630 AromaticContact CE3-CD1 3.6Å; W607-Y630 HydrophobicContact CE3-CD1 3.6Å; W607-Y630 AromaticContact CE3-CE1 3.93Å; W607-Y630 HydrophobicContact CE3-CE1 3.93Å; W607-Y630 HydrophobicContact CE3-CG 4.33Å; W607-Y630 HydrophobicContact CG-CD1 4.35Å; W607-Y630 AromaticContact CG-CE1 3.78Å; W607-Y630 HydrophobicContact CG-CE1 3.78Å; W607-Y630 HydrophobicContact CZ3-CD1 4.31Å; T608-Y630 WeakPolarHBondContact O-CD2 3.36Å; T608-Y630 PolarHBondContact O-N 2.93Å; Y630-T632 PolarHBondContact O-N 3.2Å; Y630-L634 HydrophobicContact CD1-CD2 4.26Å; Y630-L634 VanDerWaalsContact O-CB 3.25Å; Y630-L634 WeakPolarHBondContact O-CB 3.4Å; Y630-A643 HydrophobicContact CE1-CB 4.41Å; Y630-F644 HydrophobicContact CD1-CE1 4.39Å; Y630-F644 AromaticContact CD1-CZ 3.85Å; Y630-F644 HydrophobicContact CD1-CZ 3.85Å; Y630-F644 AromaticContact CE1-CE1 3.52Å; Y630-F644 HydrophobicContact CE1-CE1 3.52Å; Y630-F644 HydrophobicContact CE1-CE2 4.45Å; Y630-F644 AromaticContact CE1-CZ 3.41Å; Y630-F644 HydrophobicContact CE1-CZ 3.41Å; Y630-F644 VanDerWaalsContact CE1-CZ 3.41Å; Y630-F644 AromaticContact CZ-CE1 3.84Å
631	E	58.5	Low	61.2	Low	118 Å²	118	51.7 Å²	51.7	55%	0.551	29%	0.29	S	S	*	.	H	α-helix	trans	-49.1	-54.5	175	179.6	-175.2	-151.9	0	0	112.7	K445 E609 T610 K611 A629	K445-E631 PolarHBondContact NZ-O 3.22Å; E609-E631 WeakPolarHBondContact O-CB 3.41Å; E609-E631 PolarHBondContact O-N 3.2Å; E609-E631 VanDerWaalsContact O-N 3.17Å; T610-E631 VanDerWaalsContact CA-OE2 3.24Å; T610-E631 WeakPolarHBondContact CA-OE2 3.46Å; T610-E631 WeakPolarHBondContact CB-OE2 3.09Å; K611-E631 PolarHBondContact N-OE2 2.93Å; K611-E631 VanDerWaalsContact N-OE2 3.12Å; A629-E631 VanDerWaalsContact C-N 3.3Å; A629-E631 PolarHBondContact O-N 2.84Å
632	T	72.4	Confident	61.4	Low	55 Å²	55	49.2 Å²	49.2	34%	0.337	27%	0.274	S	S	.	.	H	α-helix	trans	-97.6	-43.3	-171.6	48.4	0	0	0	0	114.2	K445 K611 A629 Y630	K445-T632 PolarHBondContact NZ-O 3.45Å; K611-T632 HydrophobicContact CB-CG2 3.88Å; K611-T632 WeakPolarHBondContact CD-OG1 3.19Å; K611-T632 HydrophobicContact CG-CG2 4.34Å; A629-T632 PolarHBondContact O-N 3.47Å; Y630-T632 PolarHBondContact O-N 3.2Å
633	D	78.2	Confident	61.3	Low	30 Å²	30	47.7 Å²	47.7	16%	0.16	26%	0.256	C	S	.	.	H	α-helix	trans	-98.5	-7.1	-164.9	-53.1	-93	0	0	0	114.1	K602 W607 K611 L628 A629	K602-D633 WeakPolarHBondContact CD-O 3.37Å; K602-D633 WeakPolarHBondContact CE-O 3.48Å; K602-D633 PolarHBondContact NZ-O 2.85Å; W607-D633 HydrophobicContact CH2-CB 4.32Å; W607-D633 HydrophobicContact CZ3-CB 3.94Å; K611-D633 VanDerWaalsContact NZ-CG 3.3Å; K611-D633 IonicContact NZ-OD1 3.3Å; K611-D633 PolarHBondContact NZ-OD1 3.31Å; K611-D633 IonicContact NZ-OD2 3.92Å; K611-D633 PolarHBondContact NZ-OD2 2.84Å; L628-D633 HydrophobicContact CB-CB 3.91Å; L628-D633 HydrophobicContact CD1-CB 4.46Å; L628-D633 HydrophobicContact CD2-CB 4.09Å; L628-D633 HydrophobicContact CG-CB 4.37Å; A629-D633 PolarHBondContact N-OD2 3.45Å; A629-D633 WeakPolarHBondContact O-CA 3.42Å; A629-D633 WeakPolarHBondContact O-CB 3.28Å; A629-D633 PolarHBondContact O-N 3.42Å
634	L	63.4	Low	60.7	Low	16 Å²	16	49.8 Å²	49.8	8%	0.084	26%	0.259	C	S	.	.			trans	-91.4	93.7	175.1	-171.7	74.6	0	0	0	110.1	K445 F589 W607 Y630 D639 A640 A643 F644	K445-L634 WeakPolarHBondContact CE-O 3.47Å; K445-L634 PolarHBondContact NZ-O 2.88Å; F589-L634 HydrophobicContact CD2-CD2 3.77Å; F589-L634 HydrophobicContact CD2-CG 4.14Å; F589-L634 HydrophobicContact CE2-CD2 3.48Å; F589-L634 VanDerWaalsContact CE2-CD2 3.48Å; F589-L634 HydrophobicContact CE2-CG 3.68Å; F589-L634 HydrophobicContact CZ-CD2 4.32Å; F589-L634 HydrophobicContact CZ-CG 4.04Å; W607-L634 HydrophobicContact CH2-CB 4.23Å; W607-L634 HydrophobicContact CH2-CD1 4.05Å; W607-L634 HydrophobicContact CZ3-CB 3.81Å; W607-L634 HydrophobicContact CZ3-CD1 4.21Å; Y630-L634 HydrophobicContact CD1-CD2 4.26Å; Y630-L634 VanDerWaalsContact O-CB 3.25Å; Y630-L634 WeakPolarHBondContact O-CB 3.4Å; L634-D639 HydrophobicContact CD1-CB 4.01Å; L634-A640 HydrophobicContact CD1-CB 4.04Å; L634-A643 HydrophobicContact CD1-CB 4.1Å; L634-F644 HydrophobicContact CD1-CE2 4.18Å; L634-F644 HydrophobicContact CD2-CE2 4.05Å; L634-F644 HydrophobicContact CD2-CZ 4.37Å
635	E	69.4	Low	59.8	Low	122 Å²	122	48.7 Å²	48.7	57%	0.57	24%	0.244	S	C	*	.			trans	-112.1	-21.9	-165.8	-61.6	162.2	131.1	0	0	114	K602 D639	K602-E635 IonicContact NZ-OE2 3.34Å; K602-E635 PolarHBondContact NZ-OE2 3.45Å; E635-D639 WeakPolarHBondContact CA-OD2 3.19Å; E635-D639 WeakPolarHBondContact CB-OD2 3.29Å; E635-D639 PolarHBondContact N-OD2 3.5Å
636	S	67.1	Low	58.4	Low	42 Å²	42	47.1 Å²	47.1	29%	0.294	25%	0.245	S	C	.	.	S	Bend	trans	-144.1	164.8	-174.6	62.3	0	0	0	0	113	F589 S638 D639 A640	F589-S636 WeakPolarHBondContact CD1-O 3.08Å; S636-S638 PolarHBondContact O-N 2.84Å; S636-D639 PolarHBondContact N-OD2 2.85Å; S636-D639 WeakPolarHBondContact O-CA 3.33Å; S636-D639 WeakPolarHBondContact O-CB 3.28Å; S636-D639 PolarHBondContact O-N 2.88Å; S636-D639 PolarHBondContact OG-N 2.82Å; S636-D639 PolarHBondContact OG-OD2 2.88Å; S636-A640 PolarHBondContact O-N 2.93Å
637	D	62.1	Low	56.9	Low	44 Å²	44	48 Å²	48	24%	0.235	25%	0.25	C	C	.	.	H	α-helix	trans	-54.2	-37.9	170.9	-66	-21.1	0	0	0	111.1	F589 D590 T596 D639 A640 V641	F589-D637 WeakPolarHBondContact CA-OD1 3.48Å; D590-D637 PolarHBondContact N-OD1 3.11Å; T596-D637 HydrophobicContact CG2-CB 3.75Å; D637-D639 VanDerWaalsContact C-N 3.28Å; D637-D639 PolarHBondContact O-N 3.1Å; D637-A640 PolarHBondContact O-N 3.46Å; D637-A640 VanDerWaalsContact O-N 3.16Å; D637-V641 WeakPolarHBondContact O-CB 3.37Å; D637-V641 VanDerWaalsContact O-CG2 3.24Å; D637-V641 WeakPolarHBondContact O-CG2 3.39Å; D637-V641 PolarHBondContact O-N 2.94Å
638	S	63.4	Low	55.5	Low	34 Å²	34	51.9 Å²	51.9	24%	0.238	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-36.1	175.8	-162.9	0	0	0	0	112.3	A597 P598 T599 S636 A642	A597-S638 WeakPolarHBondContact O-CB 3.29Å; A597-S638 PolarHBondContact O-OG 2.7Å; P598-S638 CarbonylContact C-O 3.53Å; P598-S638 VanDerWaalsContact C-OG 3.26Å; P598-S638 VanDerWaalsContact CA-O 3.31Å; P598-S638 WeakPolarHBondContact CA-O 3.26Å; T599-S638 PolarHBondContact N-O 2.81Å; T599-S638 PolarHBondContact N-OG 2.79Å; T599-S638 VanDerWaalsContact OG1-C 3.24Å; T599-S638 VanDerWaalsContact OG1-CB 3.26Å; T599-S638 WeakPolarHBondContact OG1-CB 3.48Å; T599-S638 PolarHBondContact OG1-O 2.82Å; T599-S638 PolarHBondContact OG1-OG 2.76Å; T599-S638 VanDerWaalsContact OG1-OG 3.08Å; S636-S638 PolarHBondContact O-N 2.84Å; S638-A642 WeakPolarHBondContact O-CB 3.31Å; S638-A642 PolarHBondContact O-N 2.94Å
639	D	62.9	Low	53.5	Low	5 Å²	5	59.2 Å²	59.2	3%	0.027	31%	0.31	C	S	.	.	H	α-helix	trans	-73.2	-37.7	174.4	-56.9	-38.7	0	0	0	112.3	T599 K602 L634 E635 S636 D637 A642 A643	T599-D639 WeakPolarHBondContact CB-OD1 3.29Å; T599-D639 VanDerWaalsContact CG2-OD1 3.25Å; T599-D639 WeakPolarHBondContact CG2-OD1 3.27Å; T599-D639 PolarHBondContact OG1-N 2.79Å; T599-D639 PolarHBondContact OG1-OD1 3.18Å; K602-D639 HydrophobicContact CD-CB 4.17Å; K602-D639 VanDerWaalsContact CD-OD1 3.25Å; K602-D639 WeakPolarHBondContact CD-OD1 3.25Å; K602-D639 VanDerWaalsContact CE-OD1 3.3Å; K602-D639 WeakPolarHBondContact CE-OD1 3.33Å; K602-D639 IonicContact NZ-OD1 2.9Å; K602-D639 PolarHBondContact NZ-OD1 3Å; K602-D639 IonicContact NZ-OD2 3.25Å; K602-D639 PolarHBondContact NZ-OD2 3.22Å; L634-D639 HydrophobicContact CD1-CB 4.01Å; E635-D639 WeakPolarHBondContact CA-OD2 3.19Å; E635-D639 WeakPolarHBondContact CB-OD2 3.29Å; E635-D639 PolarHBondContact N-OD2 3.5Å; S636-D639 PolarHBondContact N-OD2 2.85Å; S636-D639 WeakPolarHBondContact O-CA 3.33Å; S636-D639 WeakPolarHBondContact O-CB 3.28Å; S636-D639 PolarHBondContact O-N 2.88Å; S636-D639 PolarHBondContact OG-N 2.82Å; S636-D639 PolarHBondContact OG-OD2 2.88Å; D637-D639 VanDerWaalsContact C-N 3.28Å; D637-D639 PolarHBondContact O-N 3.1Å; D639-A642 CarbonylContact O-C 3.56Å; D639-A642 WeakPolarHBondContact O-CA 3.42Å; D639-A642 WeakPolarHBondContact O-CB 3.12Å; D639-A642 PolarHBondContact O-N 3.39Å; D639-A642 VanDerWaalsContact O-N 3.12Å; D639-A643 VanDerWaalsContact O-CB 3.31Å; D639-A643 WeakPolarHBondContact O-CB 3.42Å; D639-A643 PolarHBondContact O-N 3.41Å
640	A	55.1	Low	51.8	Low	0 Å²	0	65 Å²	65	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-67.1	-38.3	175	0	0	0	0	0	111.7	F589 I591 L634 S636 D637 A642 A643 F644	F589-A640 HydrophobicContact CB-CB 3.31Å; F589-A640 HydrophobicContact CD1-CB 4.29Å; F589-A640 HydrophobicContact CD2-CB 4.26Å; F589-A640 HydrophobicContact CG-CB 3.73Å; I591-A640 HydrophobicContact CG2-CB 3.58Å; L634-A640 HydrophobicContact CD1-CB 4.04Å; S636-A640 PolarHBondContact O-N 2.93Å; D637-A640 PolarHBondContact O-N 3.46Å; D637-A640 VanDerWaalsContact O-N 3.16Å; A640-A642 VanDerWaalsContact C-N 3.3Å; A640-A642 PolarHBondContact O-N 2.84Å; A640-A643 PolarHBondContact O-N 3.36Å; A640-F644 HydrophobicContact CB-CD2 3.99Å; A640-F644 HydrophobicContact CB-CE2 4.24Å; A640-F644 WeakPolarHBondContact O-CB 3.3Å; A640-F644 VanDerWaalsContact O-CD2 3.23Å; A640-F644 WeakPolarHBondContact O-CD2 3.5Å; A640-F644 PolarHBondContact O-N 3.16Å
641	V	52.6	Low	50.2	Low	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-64.1	-37.1	169.3	179.4	0	0	0	0	109.9	I591 T596 P598 D637 Q645	I591-V641 HydrophobicContact CB-CG2 4.36Å; I591-V641 HydrophobicContact CG2-CG2 4.32Å; T596-V641 HydrophobicContact CG2-CG2 4.05Å; P598-V641 HydrophobicContact CB-CB 4.15Å; P598-V641 HydrophobicContact CB-CG1 3.68Å; P598-V641 HydrophobicContact CG-CG1 4.13Å; D637-V641 WeakPolarHBondContact O-CB 3.37Å; D637-V641 VanDerWaalsContact O-CG2 3.24Å; D637-V641 WeakPolarHBondContact O-CG2 3.39Å; D637-V641 PolarHBondContact O-N 2.94Å; V641-Q645 HydrophobicContact CB-CB 4.28Å; V641-Q645 HydrophobicContact CG1-CB 3.65Å; V641-Q645 HydrophobicContact CG1-CG 4.26Å; V641-Q645 VanDerWaalsContact O-CA 3.3Å; V641-Q645 WeakPolarHBondContact O-CA 3.45Å; V641-Q645 WeakPolarHBondContact O-CB 3.34Å; V641-Q645 PolarHBondContact O-N 3.46Å; V641-Q645 VanDerWaalsContact O-O 3.1Å
642	A	53.5	Low	48.5	Very low	8 Å²	8	69.1 Å²	69.1	7%	0.066	38%	0.376	C	S	.	.	H	α-helix	trans	-70.1	-29.4	174.4	0	0	0	0	0	114.9	P598 T599 K602 C603 S638 D639 A640	P598-A642 HydrophobicContact CB-CB 4.06Å; T599-A642 WeakPolarHBondContact O-CB 3.48Å; K602-A642 HydrophobicContact CB-CB 4.27Å; C603-A642 HydrophobicContact CB-CB 4.5Å; C603-A642 WeakPolarHBondContact SG-CB 3.48Å; S638-A642 WeakPolarHBondContact O-CB 3.31Å; S638-A642 PolarHBondContact O-N 2.94Å; D639-A642 CarbonylContact O-C 3.56Å; D639-A642 WeakPolarHBondContact O-CA 3.42Å; D639-A642 WeakPolarHBondContact O-CB 3.12Å; D639-A642 PolarHBondContact O-N 3.39Å; D639-A642 VanDerWaalsContact O-N 3.12Å; A640-A642 VanDerWaalsContact C-N 3.3Å; A640-A642 PolarHBondContact O-N 2.84Å
643	A	48	Very low	46	Very low	25 Å²	25	70.7 Å²	70.7	21%	0.207	39%	0.389	C	S	.	.	H	α-helix	trans	-86.3	-43.9	-178.9	0	0	0	0	0	112.5	W607 Y630 L634 D639 A640	W607-A643 HydrophobicContact CD2-CB 4Å; W607-A643 VanDerWaalsContact CE2-CB 3.47Å; W607-A643 HydrophobicContact CG-CB 4.35Å; W607-A643 HydrophobicContact CH2-CB 4.37Å; W607-A643 HydrophobicContact CZ2-CB 3.67Å; Y630-A643 HydrophobicContact CE1-CB 4.41Å; L634-A643 HydrophobicContact CD1-CB 4.1Å; D639-A643 VanDerWaalsContact O-CB 3.31Å; D639-A643 WeakPolarHBondContact O-CB 3.42Å; D639-A643 PolarHBondContact O-N 3.41Å; A640-A643 PolarHBondContact O-N 3.36Å
644	F	42.5	Very low	43.5	Very low	98 Å²	98	73.1 Å²	73.1	43%	0.43	41%	0.406	S	S	.	.	H	α-helix	trans	-110.7	-26.4	-169.2	-53.3	-63.1	0	0	0	113.6	I591 Y630 L634 A640	I591-F644 HydrophobicContact CD1-CB 4.34Å; I591-F644 HydrophobicContact CG2-CD2 4.37Å; Y630-F644 HydrophobicContact CD1-CE1 4.39Å; Y630-F644 AromaticContact CD1-CZ 3.85Å; Y630-F644 HydrophobicContact CD1-CZ 3.85Å; Y630-F644 AromaticContact CE1-CE1 3.52Å; Y630-F644 HydrophobicContact CE1-CE1 3.52Å; Y630-F644 HydrophobicContact CE1-CE2 4.45Å; Y630-F644 AromaticContact CE1-CZ 3.41Å; Y630-F644 HydrophobicContact CE1-CZ 3.41Å; Y630-F644 VanDerWaalsContact CE1-CZ 3.41Å; Y630-F644 AromaticContact CZ-CE1 3.84Å; L634-F644 HydrophobicContact CD1-CE2 4.18Å; L634-F644 HydrophobicContact CD2-CE2 4.05Å; L634-F644 HydrophobicContact CD2-CZ 4.37Å; A640-F644 HydrophobicContact CB-CD2 3.99Å; A640-F644 HydrophobicContact CB-CE2 4.24Å; A640-F644 WeakPolarHBondContact O-CB 3.3Å; A640-F644 VanDerWaalsContact O-CD2 3.23Å; A640-F644 WeakPolarHBondContact O-CD2 3.5Å; A640-F644 PolarHBondContact O-N 3.16Å
645	Q	39.8	Very low	41.6	Very low	83 Å²	83	79.6 Å²	79.6	39%	0.388	44%	0.436	S	S	.	.	S	Bend	trans	-88.4	121.9	177.8	-143.7	-171.4	74.7	0	0	110.1	I591 V641 L647	I591-Q645 PolarHBondContact O-NE2 2.87Å; I591-Q645 VanDerWaalsContact O-NE2 3.08Å; V641-Q645 HydrophobicContact CB-CB 4.28Å; V641-Q645 HydrophobicContact CG1-CB 3.65Å; V641-Q645 HydrophobicContact CG1-CG 4.26Å; V641-Q645 VanDerWaalsContact O-CA 3.3Å; V641-Q645 WeakPolarHBondContact O-CA 3.45Å; V641-Q645 WeakPolarHBondContact O-CB 3.34Å; V641-Q645 PolarHBondContact O-N 3.46Å; V641-Q645 VanDerWaalsContact O-O 3.1Å; Q645-L647 PolarHBondContact O-N 3.05Å
646	P	34.4	Very low	39.4	Very low	98 Å²	98	80.1 Å²	80.1	64%	0.636	44%	0.44	S	S	*	.			trans	-77.5	85.4	-172.2	30.3	-36	0	0	0	112	V648	P646-V648 PolarHBondContact O-N 3.43Å
647	L	31.2	Very low	37.4	Very low	76 Å²	76	88 Å²	88	40%	0.398	46%	0.463	S	S	.	.			trans	-53.9	122.8	165.7	-93	-176.1	0	0	0	110.6	P598 L600 C603 Q645 F649	P598-L647 HydrophobicContact CB-CD1 4.15Å; P598-L647 HydrophobicContact CB-CG 4.47Å; P598-L647 HydrophobicContact CG-CD1 3.53Å; P598-L647 HydrophobicContact CG-CD2 3.95Å; P598-L647 HydrophobicContact CG-CG 3.72Å; L600-L647 HydrophobicContact CD2-CD1 4.37Å; C603-L647 HydrophobicContact CB-CD1 4Å; C603-L647 WeakPolarHBondContact SG-CD1 3.26Å; Q645-L647 PolarHBondContact O-N 3.05Å; L647-F649 PolarHBondContact O-N 3.07Å
648	V	30.1	Very low	35.5	Very low	125 Å²	125	91 Å²	91	76%	0.758	48%	0.483	S	S	*	.			trans	-78.2	86.1	-174.3	-176.8	0	0	0	0	110.2	P646	P646-V648 PolarHBondContact O-N 3.43Å
649	F	23.9	Very low	33.5	Very low	176 Å²	176	99.8 Å²	99.8	77%	0.772	51%	0.511	S	S	*	.			trans	-130.8	131.4	166.2	-94	-79.9	0	0	0	113.3	L647 R651	L647-F649 PolarHBondContact O-N 3.07Å; F649-R651 PolarHBondContact O-N 2.99Å
650	C	22.4	Very low	31.7	Very low	121 Å²	121	104.4 Å²	104.4	82%	0.818	54%	0.54	S	S	*	.			trans	-66	122.4	176.2	-53.5	0	0	0	0	110.5
651	R	23	Very low	30	Very low	179 Å²	179	108.1 Å²	108.1	68%	0.675	57%	0.57	S	S	*	*			trans	-130.7	79.3	168.6	-74.2	-169	179	168.2	4.7	111.3	G604 F649 S653	G604-R651 PolarHBondContact O-NH1 3.36Å; F649-R651 PolarHBondContact O-N 2.99Å; R651-S653 PolarHBondContact O-N 3.32Å
652	S	22.3	Very low	28.5	Very low	114 Å²	114	116.7 Å²	116.7	80%	0.797	61%	0.61	S	S	*	*			trans	-77.7	89.3	156.1	54.7	0	0	0	0	108.5	P654	S652-P654 WeakPolarHBondContact O-CD 3.38Å
653	S	21.4	Very low	27	Very low	88 Å²	88	125.8 Å²	125.8	62%	0.615	64%	0.643	S	S	*	*			trans	-82.8	115.8	174.2	-174	0	0	0	0	109.8	R651 H655	R651-S653 PolarHBondContact O-N 3.32Å; S653-H655 PolarHBondContact O-N 2.91Å
654	P	26	Very low	25.9	Very low	81 Å²	81	127.2 Å²	127.2	53%	0.526	65%	0.652	S	S	.	*	G	3₁₀ helix	trans	-75.1	-6.9	-174.7	-18	33.7	0	0	0	114.8	S652 M656 R657	S652-P654 WeakPolarHBondContact O-CD 3.38Å; P654-M656 PolarHBondContact O-N 3.49Å; P654-R657 PolarHBondContact O-N 3.11Å
655	H	23	Very low	25.1	Very low	153 Å²	153	129.5 Å²	129.5	71%	0.708	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-71.8	0.4	-161.7	-67.6	-67.7	0	0	0	116.6	S653	S653-H655 PolarHBondContact O-N 2.91Å
656	M	21.7	Very low	24.6	Very low	132 Å²	132	133.1 Å²	133.1	65%	0.65	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-112	2.9	170.3	-59.8	-162.8	76.4	0	0	114.3	P654 T658	P654-M656 PolarHBondContact O-N 3.49Å; M656-T658 PolarHBondContact O-N 3.28Å
657	R	25.9	Very low	24.1	Very low	209 Å²	209	136.2 Å²	136.2	79%	0.789	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-11.2	171.2	-73.2	-172.3	173.5	-173.3	-2.5	114.2	P654	P654-R657 PolarHBondContact O-N 3.11Å
658	T	23.2	Very low	23.7	Very low	105 Å²	105	138.9 Å²	138.9	64%	0.644	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	21.4	-175.4	53.5	0	0	0	0	113.6	M656 T660	M656-T658 PolarHBondContact O-N 3.28Å; T658-T660 PolarHBondContact O-N 3.1Å
659	W	20.6	Very low	23.4	Very low	219 Å²	219	135.7 Å²	135.7	83%	0.83	72%	0.716	S	S	*	*			trans	-75.3	62.4	154.7	-80	62.2	0	0	0	109.3	A661	W659-A661 PolarHBondContact O-N 3.07Å
660	T	24.2	Very low	23.3	Very low	103 Å²	103	131.6 Å²	131.6	63%	0.632	71%	0.705	S	S	*	*			trans	-74.1	105.6	167.7	40.6	0	0	0	0	108.1	T658 E662	T658-T660 PolarHBondContact O-N 3.1Å; T660-E662 PolarHBondContact O-N 2.7Å
661	A	20.3	Very low	23.3	Very low	77 Å²	77	131.6 Å²	131.6	64%	0.636	70%	0.702	S	S	*	*			trans	-58.9	108.5	157.4	0	0	0	0	0	107.5	W659 W663	W659-A661 PolarHBondContact O-N 3.07Å; A661-W663 VanDerWaalsContact C-N 3.34Å; A661-W663 VanDerWaalsContact O-CD1 3.3Å; A661-W663 PolarHBondContact O-N 3Å
662	E	21.4	Very low	23.3	Very low	180 Å²	180	130.9 Å²	130.9	84%	0.841	71%	0.708	S	S	*	*			trans	-72.1	86.8	-178	-72.5	-168.6	135.1	0	0	110.8	T660 S664	T660-E662 PolarHBondContact O-N 2.7Å; E662-S664 PolarHBondContact O-N 3.34Å
663	W	21.4	Very low	23.4	Very low	199 Å²	199	131.5 Å²	131.5	75%	0.754	71%	0.707	S	S	*	*			trans	-72.5	78.1	168.4	-73.4	84.8	0	0	0	110.1	A661 V665 V670	A661-W663 VanDerWaalsContact C-N 3.34Å; A661-W663 VanDerWaalsContact O-CD1 3.3Å; A661-W663 PolarHBondContact O-N 3Å; W663-V665 PolarHBondContact O-N 3.2Å; W663-V670 HydrophobicContact CD2-CG2 4.38Å; W663-V670 HydrophobicContact CE3-CG2 4.05Å; W663-V670 HydrophobicContact CH2-CB 4.3Å; W663-V670 HydrophobicContact CH2-CG2 3.44Å; W663-V670 VanDerWaalsContact CH2-CG2 3.44Å; W663-V670 HydrophobicContact CZ2-CG2 3.78Å; W663-V670 HydrophobicContact CZ3-CG2 3.57Å
664	S	24.7	Very low	23.7	Very low	56 Å²	56	136.2 Å²	136.2	39%	0.392	72%	0.719	S	S	.	*			trans	-68	115.6	169.9	83.3	0	0	0	0	108.8	E662 N666 K667	E662-S664 PolarHBondContact O-N 3.34Å; S664-N666 PolarHBondContact O-N 3.36Å; S664-K667 PolarHBondContact O-N 3.28Å; S664-K667 WeakPolarHBondContact OG-CB 3.49Å; S664-K667 WeakPolarHBondContact OG-CG 3.05Å
665	V	26.2	Very low	23.8	Very low	145 Å²	145	138.8 Å²	138.8	88%	0.879	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.2	-24.8	-176.4	178.6	0	0	0	0	113	W663	W663-V665 PolarHBondContact O-N 3.2Å
666	N	29	Very low	24.1	Very low	160 Å²	160	134.7 Å²	134.7	86%	0.856	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	1.7	178.7	-70.4	-8.7	0	0	0	115.3	S664	S664-N666 PolarHBondContact O-N 3.36Å
667	K	24.1	Very low	24.2	Very low	163 Å²	163	136 Å²	136	71%	0.709	74%	0.742	S	S	*	*			trans	-118.9	86.7	176.7	-68.6	-177.5	-177.5	175.1	0	110.7	S664 G669	S664-K667 PolarHBondContact O-N 3.28Å; S664-K667 WeakPolarHBondContact OG-CB 3.49Å; S664-K667 WeakPolarHBondContact OG-CG 3.05Å; K667-G669 VanDerWaalsContact C-N 3.27Å; K667-G669 PolarHBondContact O-N 3.42Å
668	S	23.2	Very low	24.2	Very low	132 Å²	132	132.1 Å²	132.1	92%	0.923	74%	0.741	S	S	*	*			trans	-68.2	80.5	170.5	57.2	0	0	0	0	111.1
669	G	22.5	Very low	24.2	Very low	58 Å²	58	136.9 Å²	136.9	60%	0.598	75%	0.753	S	S	*	*			trans	164.3	104.5	176.1	0	0	0	0	0	112.2	K667	K667-G669 VanDerWaalsContact C-N 3.27Å; K667-G669 PolarHBondContact O-N 3.42Å
670	V	23.2	Very low	24.3	Very low	89 Å²	89	136.9 Å²	136.9	54%	0.539	75%	0.753	S	S	.	*			trans	-94.9	106.6	163.9	171.3	0	0	0	0	107.6	W663 M672	W663-V670 HydrophobicContact CD2-CG2 4.38Å; W663-V670 HydrophobicContact CE3-CG2 4.05Å; W663-V670 HydrophobicContact CH2-CB 4.3Å; W663-V670 HydrophobicContact CH2-CG2 3.44Å; W663-V670 VanDerWaalsContact CH2-CG2 3.44Å; W663-V670 HydrophobicContact CZ2-CG2 3.78Å; W663-V670 HydrophobicContact CZ3-CG2 3.57Å; V670-M672 HydrophobicContact CG1-CG 4.29Å; V670-M672 PolarHBondContact O-N 3.39Å
671	T	21.2	Very low	24.4	Very low	122 Å²	122	137.7 Å²	137.7	75%	0.748	76%	0.762	S	S	*	*			trans	-81.3	92.9	179.7	-40.7	0	0	0	0	109.5	T673	T671-T673 PolarHBondContact O-N 3.43Å
672	M	23.9	Very low	24.5	Very low	164 Å²	164	143.1 Å²	143.1	81%	0.808	77%	0.774	S	S	*	*			trans	-76.1	108.3	167	-69.2	-170.3	70	0	0	108.6	V670 H674	V670-M672 HydrophobicContact CG1-CG 4.29Å; V670-M672 PolarHBondContact O-N 3.39Å; M672-H674 PolarHBondContact O-N 3.31Å
673	T	24.9	Very low	24.5	Very low	126 Å²	126	142.8 Å²	142.8	77%	0.773	78%	0.775	S	S	*	*	S	Bend	trans	-65.7	125	-176.3	31.9	0	0	0	0	111.6	T671	T671-T673 PolarHBondContact O-N 3.43Å
674	H	28.2	Very low	24.6	Very low	188 Å²	188	141.1 Å²	141.1	87%	0.87	78%	0.78	S	S	*	*	S	Bend	trans	65.3	74.6	-177.8	-75.6	-90	0	0	0	116.6	M672	M672-H674 PolarHBondContact O-N 3.31Å
675	V	27.1	Very low	24.5	Very low	135 Å²	135	145.3 Å²	145.3	82%	0.818	80%	0.797	S	S	*	*	S	Bend		174.5	121.4	109.4	155.6	0	0	0	0	110.2
676	G	29.4	Very low	24.2	Very low	66 Å²	66	145.7 Å²	145.7	68%	0.68	80%	0.795	S	S	*	*			trans	34.3	103.7	159.6	0	0	0	0	0	121	V678	G676-V678 PolarHBondContact O-N 2.72Å
677	D	24.6	Very low	23.9	Very low	160 Å²	160	143 Å²	143	86%	0.856	79%	0.787	S	S	*	*			trans	-58.9	110.7	172.8	-62.7	-59	0	0	0	114.1
678	V	25.4	Very low	23.7	Very low	128 Å²	128	143 Å²	143	78%	0.776	80%	0.795	S	S	*	*			trans	-103.9	98.5	169.5	-177.1	0	0	0	0	110.4	G676 R680	G676-V678 PolarHBondContact O-N 2.72Å; V678-R680 PolarHBondContact O-N 3.25Å
679	K	23.3	Very low	23.7	Very low	204 Å²	204	142 Å²	142	89%	0.887	79%	0.788	S	S	*	*			trans	-59.6	125.1	176.3	-70.3	178.1	177	175.5	0	111.6
680	R	22.9	Very low	23.8	Very low	220 Å²	220	144.9 Å²	144.9	83%	0.83	80%	0.796	S	S	*	*			trans	-124.3	149.9	163.2	-77.3	-174.5	172.9	166.4	-0.1	111.3	V678	V678-R680 PolarHBondContact O-N 3.25Å
681	S	25.4	Very low	23.8	Very low	120 Å²	120	148 Å²	148	84%	0.839	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-72.5	147.4	-167.7	-47.2	0	0	0	0	113.4	M683	S681-M683 PolarHBondContact O-N 3.43Å
682	Q	23.7	Very low	23.9	Very low	190 Å²	190	150.1 Å²	150.1	89%	0.888	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-62.8	124.2	-176.6	-68	168.3	-38.5	0	0	112.6
683	M	21.1	Very low	23.7	Very low	173 Å²	173	149.8 Å²	149.8	85%	0.852	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-87.3	123.5	163.5	-76.1	-178.9	69.6	0	0	109.7	S681	S681-M683 PolarHBondContact O-N 3.43Å
684	L	22.3	Very low	23.6	Very low	164 Å²	164	153 Å²	153	86%	0.859	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-71.9	125.9	171	-78.3	93	0	0	0	110.2
685	L	22.8	Very low	23.2	Very low	144 Å²	144	150.9 Å²	150.9	75%	0.754	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-91.4	118.2	163.3	-75.7	101.3	0	0	0	109.8
686	N	20.9	Very low	23	Very low	154 Å²	154	148 Å²	148	82%	0.824	79%	0.786	S	S	*	*			trans	-100.4	107.6	155.1	-85.5	-6.3	0	0	0	107.6
687	C	22.1	Very low	22.6	Very low	104 Å²	104	149.5 Å²	149.5	70%	0.703	79%	0.785	S	S	*	*			trans	-108.1	87.2	177.4	-72.3	0	0	0	0	110.4
688	D	20.4	Very low	22.6	Very low	162 Å²	162	147.5 Å²	147.5	87%	0.866	78%	0.779	S	S	*	*			trans	-116.7	81.8	167.1	-83.6	-41.9	0	0	0	109.7
689	S	22	Very low	22.5	Very low	110 Å²	110	146.8 Å²	146.8	77%	0.769	78%	0.778	S	S	*	*			trans	-165.9	94.3	156.9	-170.8	0	0	0	0	110.1
690	P	24.8	Very low	22.6	Very low	120 Å²	120	140.3 Å²	140.3	78%	0.779	76%	0.756	S	S	*	*			trans	-95	84.6	177.9	35.3	-29.8	0	0	0	111.1
691	D	22.5	Very low	22.6	Very low	153 Å²	153	133 Å²	133	82%	0.818	75%	0.749	S	S	*	*			trans	-159.4	53.8	172.3	-97.9	-32.6	0	0	0	112.9
692	L	23.9	Very low	22.5	Very low	167 Å²	167	128.4 Å²	128.4	87%	0.874	72%	0.717	S	S	*	*			trans	-139.7	76.4	171.4	-79.9	177.5	0	0	0	112.7
693	L	20.3	Very low	22.6	Very low	157 Å²	157	123.3 Å²	123.3	82%	0.822	69%	0.693	S	S	*	*			trans	-125.6	156.2	153.1	-83.2	165.1	0	0	0	107.8
694	Y	21.9	Very low	22.8	Very low	193 Å²	193	118.8 Å²	118.8	76%	0.757	67%	0.672	S	S	*	*			trans	107.9	70.7	176.2	-56	-59.3	0	0	0	118.7	W38	W38-Y694 WeakPolarHBondContact CH2-O 3.42Å
695	D	21.4	Very low	23	Very low	145 Å²	145	116.1 Å²	116.1	78%	0.775	66%	0.655	S	S	*	*				56.2	102.9	127	-58.3	-29.4	0	0	0	122.7	W38	W38-D695 VanDerWaalsContact CZ2-C 3.49Å; W38-D695 VanDerWaalsContact CZ2-O 3.31Å; W38-D695 WeakPolarHBondContact CZ2-O 3.37Å
696	Y	21	Very low	23.2	Very low	75 Å²	75	114 Å²	114	29%	0.294	64%	0.637	S	S	.	*			trans	-90.7	150.4	175.6	-106.6	-63.1	0	0	0	114.2	L34 L37 W38	L34-Y696 HydrophobicContact CB-CE2 4.17Å; L34-Y696 HydrophobicContact CD2-CD2 4.09Å; L34-Y696 HydrophobicContact CD2-CE2 4Å; L34-Y696 VanDerWaalsContact O-CE2 3.24Å; L34-Y696 WeakPolarHBondContact O-CE2 3.49Å; L34-Y696 VanDerWaalsContact O-CZ 3.3Å; L34-Y696 PolarHBondContact O-OH 2.66Å; L37-Y696 WeakPolarHBondContact CA-OH 3.43Å; L37-Y696 HydrophobicContact CB-CE1 4.17Å; L37-Y696 WeakPolarHBondContact CB-OH 3.44Å; L37-Y696 PolarHBondContact O-OH 3.16Å; W38-Y696 HydrophobicContact CB-CE2 4.48Å; W38-Y696 WeakPolarHBondContact CB-OH 3.39Å; W38-Y696 AromaticContact CD1-CE1 3.7Å; W38-Y696 AromaticContact CD1-CZ 3.86Å; W38-Y696 HydrophobicContact CD2-CD1 4.12Å; W38-Y696 AromaticContact CD2-CD2 3.9Å; W38-Y696 HydrophobicContact CD2-CD2 3.9Å; W38-Y696 AromaticContact CD2-CE1 3.61Å; W38-Y696 HydrophobicContact CD2-CE1 3.61Å; W38-Y696 AromaticContact CD2-CE2 3.38Å; W38-Y696 HydrophobicContact CD2-CE2 3.38Å; W38-Y696 HydrophobicContact CD2-CG 4.23Å; W38-Y696 AromaticContact CD2-CZ 3.21Å; W38-Y696 AromaticContact CE2-CD1 3.62Å; W38-Y696 AromaticContact CE2-CD2 3.95Å; W38-Y696 AromaticContact CE2-CE1 3.51Å; W38-Y696 AromaticContact CE2-CE2 3.86Å; W38-Y696 AromaticContact CE2-CG 3.83Å; W38-Y696 AromaticContact CE2-CZ 3.63Å; W38-Y696 AromaticContact CE3-CD2 3.58Å; W38-Y696 HydrophobicContact CE3-CD2 3.58Å; W38-Y696 HydrophobicContact CE3-CE1 4.27Å; W38-Y696 AromaticContact CE3-CE2 3.13Å; W38-Y696 HydrophobicContact CE3-CE2 3.13Å; W38-Y696 HydrophobicContact CE3-CG 4.31Å; W38-Y696 AromaticContact CE3-CZ 3.52Å; W38-Y696 AromaticContact CG-CE1 3.72Å; W38-Y696 HydrophobicContact CG-CE1 3.72Å; W38-Y696 HydrophobicContact CG-CE2 4.01Å; W38-Y696 AromaticContact CG-CZ 3.37Å; W38-Y696 HydrophobicContact CH2-CD1 4.21Å; W38-Y696 AromaticContact CH2-CD2 3.35Å; W38-Y696 HydrophobicContact CH2-CD2 3.35Å; W38-Y696 AromaticContact CH2-CE2 3.85Å; W38-Y696 HydrophobicContact CH2-CE2 3.85Å; W38-Y696 AromaticContact CH2-CG 3.56Å; W38-Y696 HydrophobicContact CH2-CG 3.56Å; W38-Y696 AromaticContact CZ2-CD1 3.69Å; W38-Y696 HydrophobicContact CZ2-CD1 3.69Å; W38-Y696 AromaticContact CZ2-CD2 3.72Å; W38-Y696 HydrophobicContact CZ2-CD2 3.72Å; W38-Y696 HydrophobicContact CZ2-CE1 4.06Å; W38-Y696 HydrophobicContact CZ2-CE2 4.1Å; W38-Y696 AromaticContact CZ2-CG 3.5Å; W38-Y696 HydrophobicContact CZ2-CG 3.5Å; W38-Y696 VanDerWaalsContact CZ2-CG 3.5Å; W38-Y696 AromaticContact CZ3-CD2 3.29Å; W38-Y696 HydrophobicContact CZ3-CD2 3.29Å; W38-Y696 AromaticContact CZ3-CE2 3.39Å; W38-Y696 HydrophobicContact CZ3-CE2 3.39Å; W38-Y696 AromaticContact CZ3-CG 3.99Å; W38-Y696 HydrophobicContact CZ3-CG 3.99Å; W38-Y696 PolarHBondContact N-OH 2.9Å; W38-Y696 AromaticContact NE1-CD1 3.9Å; W38-Y696 AromaticContact NE1-CE1 3.58Å
697	S	22.8	Very low	23.5	Very low	96 Å²	96	111.2 Å²	111.2	67%	0.671	62%	0.621	S	S	*	*			trans	-150.6	144.5	162.5	62.9	0	0	0	0	111.8
698	V	23.2	Very low	23.8	Very low	119 Å²	119	107.6 Å²	107.6	72%	0.721	60%	0.602	S	S	*	*			trans	-143.6	142.4	-175.3	174.6	0	0	0	0	111.9
699	C	23.6	Very low	24.2	Very low	113 Å²	113	104.5 Å²	104.5	76%	0.764	59%	0.585	S	S	*	*			trans	-117.8	-177.4	177.1	-64.7	0	0	0	0	109.5
700	T	25.8	Very low	24.5	Very low	68 Å²	68	103 Å²	103	42%	0.417	58%	0.579	S	S	.	*			cis	-144.5	-0.4	21.4	21.8	0	0	0	0	114.2	S702 G787	T700-S702 PolarHBondContact O-N 2.91Å; T700-G787 WeakPolarHBondContact CB-O 3.44Å; T700-G787 PolarHBondContact OG1-O 3.44Å
701	G	22.8	Very low	24.7	Very low	67 Å²	67	102.2 Å²	102.2	69%	0.691	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	25	-157	0	0	0	0	0	119.3
702	S	23.9	Very low	24.8	Very low	23 Å²	23	97.2 Å²	97.2	16%	0.161	55%	0.552	C	S	.	*	T	Hydrogen-bonded Turn	trans	-116.1	-35.3	-163.7	70.6	0	0	0	0	114.6	L84 T700 L704 H705	L84-S702 VanDerWaalsContact CB-CB 3.48Å; L84-S702 WeakPolarHBondContact CB-OG 3.43Å; L84-S702 WeakPolarHBondContact CD1-O 3.43Å; L84-S702 WeakPolarHBondContact CD2-O 3.15Å; T700-S702 PolarHBondContact O-N 2.91Å; S702-L704 PolarHBondContact O-N 3.32Å; S702-H705 PolarHBondContact O-N 2.73Å
703	H	25.2	Very low	24.9	Very low	82 Å²	82	97 Å²	97	38%	0.38	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-30	-172.1	-84.8	-87.3	0	0	0	117.2	S82 L707 W788	S82-H703 PolarHBondContact O-CE1 3.37Å; S82-H703 PolarHBondContact O-ND1 3.07Å; H703-L707 PolarHBondContact O-N 3.08Å; H703-W788 HydrophobicContact CB-CH2 4.38Å
704	L	25.5	Very low	25.3	Very low	79 Å²	79	94.8 Å²	94.8	41%	0.414	53%	0.533	S	S	.	.	H	α-helix	trans	-66.3	-39.8	-173.6	-86.3	161.4	0	0	0	114.9	S702 R706 L707 G708 V790	S702-L704 PolarHBondContact O-N 3.32Å; L704-R706 VanDerWaalsContact C-N 3.28Å; L704-R706 PolarHBondContact O-N 2.89Å; L704-L707 PolarHBondContact O-N 3.28Å; L704-G708 PolarHBondContact O-N 3.36Å; L704-V790 HydrophobicContact CD1-CB 4.32Å; L704-V790 HydrophobicContact CD1-CG1 3.77Å; L704-V790 HydrophobicContact CD1-CG2 3.78Å
705	H	27.2	Very low	25.9	Very low	107 Å²	107	94.8 Å²	94.8	50%	0.495	54%	0.537	S	S	.	.	H	α-helix	trans	-69.6	-25.5	-172.9	-157.9	-46.1	0	0	0	113	S702	S702-H705 PolarHBondContact O-N 2.73Å
706	R	25.7	Very low	26.6	Very low	101 Å²	101	92.2 Å²	92.2	38%	0.381	54%	0.536	S	S	.	.	H	α-helix	trans	-85.4	-25.2	174.1	-72.7	-169	-159.1	172.6	-1.4	113.5	F83 L84 L704 G708 A710	F83-R706 VanDerWaalsContact C-NH1 3.25Å; F83-R706 WeakPolarHBondContact O-CD 3.19Å; F83-R706 PolarHBondContact O-NE 3.38Å; F83-R706 PolarHBondContact O-NH1 3.31Å; L84-R706 HydrophobicContact CD1-CB 3.69Å; L84-R706 HydrophobicContact CD1-CG 3.47Å; L84-R706 VanDerWaalsContact CD1-CG 3.47Å; L84-R706 HydrophobicContact CG-CG 4.04Å; L704-R706 VanDerWaalsContact C-N 3.28Å; L704-R706 PolarHBondContact O-N 2.89Å; R706-G708 VanDerWaalsContact C-N 3.35Å; R706-A710 WeakPolarHBondContact O-CB 3.47Å; R706-A710 PolarHBondContact O-N 3.35Å
707	L	28.1	Very low	27.1	Very low	95 Å²	95	95.7 Å²	95.7	50%	0.497	56%	0.56	S	S	.	*	H	α-helix	trans	-64.8	-41.4	171.3	-160.9	76.6	0	0	0	111	H703 L704 A710 L711	H703-L707 PolarHBondContact O-N 3.08Å; L704-L707 PolarHBondContact O-N 3.28Å; L707-A710 PolarHBondContact O-N 2.97Å; L707-L711 HydrophobicContact CD1-CD1 4.35Å; L707-L711 HydrophobicContact CD2-CD1 4.21Å; L707-L711 HydrophobicContact CG-CD1 3.79Å; L707-L711 HydrophobicContact CG-CG 4.36Å; L707-L711 WeakPolarHBondContact O-CB 3.17Å; L707-L711 VanDerWaalsContact O-CG 3.29Å; L707-L711 WeakPolarHBondContact O-CG 3.5Å; L707-L711 PolarHBondContact O-N 2.95Å; L707-L711 VanDerWaalsContact O-N 3.07Å
708	G	28.2	Very low	27.3	Very low	28 Å²	28	95.1 Å²	95.1	29%	0.289	57%	0.569	S	S	.	*	H	α-helix	trans	-57.5	-53.4	177.9	0	0	0	0	0	113.7	L704 R706	L704-G708 PolarHBondContact O-N 3.36Å; R706-G708 VanDerWaalsContact C-N 3.35Å
709	N	28.2	Very low	27.4	Very low	96 Å²	96	98.2 Å²	98.2	51%	0.513	58%	0.576	S	S	.	*	H	α-helix	trans	-69.4	-36.4	178.4	-86.2	-2.5	0	0	0	113	L711 G712 N714	N709-L711 VanDerWaalsContact C-N 3.31Å; N709-L711 PolarHBondContact O-N 2.84Å; N709-G712 PolarHBondContact O-N 2.78Å; N709-N714 PolarHBondContact OD1-ND2 3.36Å
710	A	28.9	Very low	27.4	Very low	78 Å²	78	98.7 Å²	98.7	65%	0.645	58%	0.575	S	S	*	*	H	α-helix	trans	-70.5	-25	-179.7	0	0	0	0	0	113.7	R706 L707 G712	R706-A710 WeakPolarHBondContact O-CB 3.47Å; R706-A710 PolarHBondContact O-N 3.35Å; L707-A710 PolarHBondContact O-N 2.97Å; A710-G712 VanDerWaalsContact C-N 3.32Å
711	L	27.9	Very low	27.4	Very low	105 Å²	105	99.9 Å²	99.9	55%	0.55	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.4	2.7	177.3	-70.5	176.3	0	0	0	113.9	L707 N709 F713	L707-L711 HydrophobicContact CD1-CD1 4.35Å; L707-L711 HydrophobicContact CD2-CD1 4.21Å; L707-L711 HydrophobicContact CG-CD1 3.79Å; L707-L711 HydrophobicContact CG-CG 4.36Å; L707-L711 WeakPolarHBondContact O-CB 3.17Å; L707-L711 VanDerWaalsContact O-CG 3.29Å; L707-L711 WeakPolarHBondContact O-CG 3.5Å; L707-L711 PolarHBondContact O-N 2.95Å; L707-L711 VanDerWaalsContact O-N 3.07Å; N709-L711 VanDerWaalsContact C-N 3.31Å; N709-L711 PolarHBondContact O-N 2.84Å; L711-F713 VanDerWaalsContact C-N 3.28Å; L711-F713 HydrophobicContact CB-CD2 3.69Å; L711-F713 HydrophobicContact CB-CE2 3.62Å; L711-F713 HydrophobicContact CB-CZ 4.42Å; L711-F713 HydrophobicContact CD1-CD2 4.36Å; L711-F713 HydrophobicContact CD1-CE2 3.64Å; L711-F713 HydrophobicContact CD1-CZ 4.47Å; L711-F713 HydrophobicContact CG-CE2 4.29Å; L711-F713 PolarHBondContact O-N 3.31Å
712	G	25.5	Very low	27.4	Very low	47 Å²	47	104.9 Å²	104.9	49%	0.485	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	70.4	20.3	177.3	0	0	0	0	0	114.5	N709 A710 N714	N709-G712 PolarHBondContact O-N 2.78Å; A710-G712 VanDerWaalsContact C-N 3.32Å; G712-N714 PolarHBondContact O-N 3.04Å
713	F	26.9	Very low	27.5	Very low	163 Å²	163	111.7 Å²	111.7	72%	0.715	62%	0.622	S	S	*	*			trans	-71.1	26.7	169.5	-63.8	-57.8	0	0	0	113	L711	L711-F713 VanDerWaalsContact C-N 3.28Å; L711-F713 HydrophobicContact CB-CD2 3.69Å; L711-F713 HydrophobicContact CB-CE2 3.62Å; L711-F713 HydrophobicContact CB-CZ 4.42Å; L711-F713 HydrophobicContact CD1-CD2 4.36Å; L711-F713 HydrophobicContact CD1-CE2 3.64Å; L711-F713 HydrophobicContact CD1-CZ 4.47Å; L711-F713 HydrophobicContact CG-CE2 4.29Å; L711-F713 PolarHBondContact O-N 3.31Å
714	N	28.2	Very low	27.5	Very low	110 Å²	110	116 Å²	116	59%	0.588	64%	0.64	S	S	*	*			trans	-147.1	92.1	-173.9	-162.7	-8.1	0	0	0	107.3	N709 G712	N709-N714 PolarHBondContact OD1-ND2 3.36Å; G712-N714 PolarHBondContact O-N 3.04Å
715	K	33.2	Very low	27.5	Very low	193 Å²	193	115.3 Å²	115.3	84%	0.839	64%	0.642	S	S	*	*			trans	-137.8	125.9	172.5	-85.6	-166.6	169.7	-167	0	107.5
716	A	38	Very low	27.4	Very low	91 Å²	91	113.9 Å²	113.9	75%	0.752	65%	0.649	S	S	*	*			trans	-75.9	-30.4	-173.3	0	0	0	0	0	113.4
717	D	29.4	Very low	27.4	Very low	148 Å²	148	116.3 Å²	116.3	79%	0.791	66%	0.662	S	S	*	*	S	Bend	trans	-117.9	91.1	-162.7	-54.8	-54.1	0	0	0	113.9	E719	D717-E719 PolarHBondContact O-N 3.14Å
718	G	28.8	Very low	27.5	Very low	84 Å²	84	117 Å²	117	87%	0.866	66%	0.662	S	S	*	*				70.5	-33.6	128.6	0	0	0	0	0	122.6	T720	G718-T720 PolarHBondContact O-N 3.17Å
719	E	23.5	Very low	27.5	Very low	185 Å²	185	122 Å²	122	86%	0.864	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-80.6	123.7	-171.1	-72.3	-164.4	157.6	0	0	113.6	D717 P721	D717-E719 PolarHBondContact O-N 3.14Å; E719-P721 WeakPolarHBondContact O-CD 3.47Å
720	T	25.4	Very low	27.4	Very low	122 Å²	122	119.9 Å²	119.9	75%	0.748	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-71.8	119.6	178.9	24.6	0	0	0	0	111.6	G718 F723	G718-T720 PolarHBondContact O-N 3.17Å; T720-F723 HydrophobicContact CG2-CE2 4.42Å
721	P	25.7	Very low	27.4	Very low	93 Å²	93	120.6 Å²	120.6	60%	0.604	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-72.7	137.5	178.9	29.4	-34.2	0	0	0	111.4	E719 F723	E719-P721 WeakPolarHBondContact O-CD 3.47Å; P721-F723 HydrophobicContact CG-CZ 4.47Å; P721-F723 WeakPolarHBondContact O-CD2 3.44Å; P721-F723 VanDerWaalsContact O-CE2 3.29Å; P721-F723 WeakPolarHBondContact O-CE2 3.44Å; P721-F723 PolarHBondContact O-N 2.87Å
722	D	21.1	Very low	27.4	Very low	173 Å²	173	122.3 Å²	122.3	93%	0.925	67%	0.667	S	S	*	*			trans	-53.8	111.7	179.2	-94.3	-42.3	0	0	0	112.3
723	F	26	Very low	27.6	Very low	165 Å²	165	121.9 Å²	121.9	72%	0.724	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-82.2	131.3	-170.5	-72.2	-87	0	0	0	113.1	T720 P721 S725	T720-F723 HydrophobicContact CG2-CE2 4.42Å; P721-F723 HydrophobicContact CG-CZ 4.47Å; P721-F723 WeakPolarHBondContact O-CD2 3.44Å; P721-F723 VanDerWaalsContact O-CE2 3.29Å; P721-F723 WeakPolarHBondContact O-CE2 3.44Å; P721-F723 PolarHBondContact O-N 2.87Å; F723-S725 PolarHBondContact O-N 3.13Å
724	F	25.2	Very low	27.6	Very low	174 Å²	174	123.8 Å²	123.8	76%	0.763	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-58.3	123.7	158.7	-75.9	-91.7	0	0	0	109.5	A726	F724-A726 PolarHBondContact O-N 2.91Å
725	S	25.7	Very low	27.6	Very low	64 Å²	64	125.1 Å²	125.1	45%	0.448	66%	0.66	S	S	.	*	P	Polyproline II helix	trans	-61.8	135.1	-171.2	74.5	0	0	0	0	112.5	F723 K727 Q728	F723-S725 PolarHBondContact O-N 3.13Å; S725-K727 PolarHBondContact O-N 3.47Å; S725-Q728 WeakPolarHBondContact O-CB 3.47Å; S725-Q728 PolarHBondContact O-N 3.3Å
726	A	25.8	Very low	27.4	Very low	77 Å²	77	120 Å²	120	64%	0.636	65%	0.645	S	S	*	*	H	α-helix	trans	-55.2	-22.1	-179.3	0	0	0	0	0	114.3	F724 Q728 M729 S730	F724-A726 PolarHBondContact O-N 2.91Å; A726-Q728 VanDerWaalsContact C-N 3.28Å; A726-Q728 PolarHBondContact O-N 3.02Å; A726-M729 PolarHBondContact O-N 3.43Å; A726-S730 PolarHBondContact O-N 3.25Å
727	K	26.7	Very low	26.9	Very low	151 Å²	151	118.7 Å²	118.7	66%	0.657	63%	0.634	S	S	*	*	H	α-helix	trans	-58.7	-35.8	172	-172	179.6	179.9	-178.6	0	112.6	S725 S730 M731	S725-K727 PolarHBondContact O-N 3.47Å; K727-S730 PolarHBondContact O-OG 2.95Å; K727-M731 HydrophobicContact CG-CE 4.34Å; K727-M731 WeakPolarHBondContact O-CE 2.93Å; K727-M731 VanDerWaalsContact O-CG 3.29Å; K727-M731 WeakPolarHBondContact O-CG 3.37Å; K727-M731 PolarHBondContact O-N 3.26Å
728	Q	29.5	Very low	26.8	Very low	109 Å²	109	115.9 Å²	115.9	51%	0.509	63%	0.626	S	S	.	*	H	α-helix	trans	-70.6	-37.6	176.2	-71.1	174	-32.9	0	0	111.5	S725 A726 F732	S725-Q728 WeakPolarHBondContact O-CB 3.47Å; S725-Q728 PolarHBondContact O-N 3.3Å; A726-Q728 VanDerWaalsContact C-N 3.28Å; A726-Q728 PolarHBondContact O-N 3.02Å; Q728-F732 PolarHBondContact O-N 2.94Å
729	M	27.2	Very low	26.7	Very low	133 Å²	133	117.6 Å²	117.6	66%	0.655	62%	0.615	S	S	*	*	H	α-helix	trans	-69	-43.4	178.6	-64.3	177.4	76.5	0	0	112.4	A726 M731 F732 V733	A726-M729 PolarHBondContact O-N 3.43Å; M729-M731 PolarHBondContact O-N 3.2Å; M729-F732 WeakPolarHBondContact O-CB 3.32Å; M729-F732 PolarHBondContact O-N 3Å; M729-V733 PolarHBondContact O-N 3.22Å
730	S	26.9	Very low	27	Very low	52 Å²	52	112 Å²	112	36%	0.364	60%	0.6	S	S	.	*	H	α-helix	trans	-69.7	-33.1	179.7	68.1	0	0	0	0	113.2	A726 K727 F732 R734	A726-S730 PolarHBondContact O-N 3.25Å; K727-S730 PolarHBondContact O-OG 2.95Å; S730-F732 VanDerWaalsContact C-N 3.33Å; S730-F732 PolarHBondContact O-N 3.41Å; S730-R734 WeakPolarHBondContact O-CB 3.3Å; S730-R734 PolarHBondContact O-N 3.29Å; S730-R734 VanDerWaalsContact O-N 3.15Å
731	M	28.4	Very low	27.1	Very low	93 Å²	93	108.2 Å²	108.2	46%	0.458	59%	0.585	S	S	.	*	H	α-helix	trans	-63.5	-38.3	172.5	-71.6	-172.6	-55.1	0	0	112	K727 M729 Q735	K727-M731 HydrophobicContact CG-CE 4.34Å; K727-M731 WeakPolarHBondContact O-CE 2.93Å; K727-M731 VanDerWaalsContact O-CG 3.29Å; K727-M731 WeakPolarHBondContact O-CG 3.37Å; K727-M731 PolarHBondContact O-N 3.26Å; M729-M731 PolarHBondContact O-N 3.2Å; M731-Q735 VanDerWaalsContact O-CG 3.28Å; M731-Q735 WeakPolarHBondContact O-CG 3.44Å; M731-Q735 PolarHBondContact O-N 3.26Å
732	F	29.4	Very low	27.2	Very low	141 Å²	141	105.4 Å²	105.4	62%	0.618	57%	0.573	S	S	*	*	H	α-helix	trans	-63.5	-51.3	176.5	176.7	-99.5	0	0	0	112.2	Q728 M729 S730 R734 Q735 V736	Q728-F732 PolarHBondContact O-N 2.94Å; M729-F732 WeakPolarHBondContact O-CB 3.32Å; M729-F732 PolarHBondContact O-N 3Å; S730-F732 VanDerWaalsContact C-N 3.33Å; S730-F732 PolarHBondContact O-N 3.41Å; F732-R734 VanDerWaalsContact C-N 3.35Å; F732-R734 PolarHBondContact O-N 3.03Å; F732-Q735 PolarHBondContact O-N 3.49Å; F732-V736 HydrophobicContact CZ-CG2 4.46Å; F732-V736 PolarHBondContact O-N 3.33Å
733	V	28.9	Very low	27.6	Very low	38 Å²	38	102.1 Å²	102.1	23%	0.23	56%	0.555	C	S	.	*	H	α-helix	trans	-60.7	-43.6	-179	176.3	0	0	0	0	111.5	M729 Q735 V736 A737 T824 P825	M729-V733 PolarHBondContact O-N 3.22Å; V733-Q735 VanDerWaalsContact C-N 3.3Å; V733-Q735 PolarHBondContact O-N 3.02Å; V733-V736 PolarHBondContact O-N 2.98Å; V733-A737 PolarHBondContact O-N 3.17Å; V733-T824 HydrophobicContact CG1-CG2 4.32Å; V733-P825 HydrophobicContact CG1-CG 4.14Å
734	R	26.3	Very low	27.7	Very low	204 Å²	204	100.5 Å²	100.5	77%	0.77	55%	0.548	S	S	*	.	H	α-helix	trans	-64.8	-32.7	-178.4	-159.8	174	-171.6	177.7	3.5	112.9	S730 F732 S738	S730-R734 WeakPolarHBondContact O-CB 3.3Å; S730-R734 PolarHBondContact O-N 3.29Å; S730-R734 VanDerWaalsContact O-N 3.15Å; F732-R734 VanDerWaalsContact C-N 3.35Å; F732-R734 PolarHBondContact O-N 3.03Å; R734-S738 PolarHBondContact O-OG 3.39Å
735	Q	28	Very low	27.9	Very low	137 Å²	137	99.3 Å²	99.3	64%	0.64	55%	0.545	S	S	*	.	H	α-helix	trans	-71.6	-37.4	177.5	-74.6	172.9	-2.9	0	0	112.9	M731 F732 V733 L739	M731-Q735 VanDerWaalsContact O-CG 3.28Å; M731-Q735 WeakPolarHBondContact O-CG 3.44Å; M731-Q735 PolarHBondContact O-N 3.26Å; F732-Q735 PolarHBondContact O-N 3.49Å; V733-Q735 VanDerWaalsContact C-N 3.3Å; V733-Q735 PolarHBondContact O-N 3.02Å; Q735-L739 PolarHBondContact O-N 3.5Å
736	V	29	Very low	28.1	Very low	86 Å²	86	100.1 Å²	100.1	52%	0.521	55%	0.547	S	S	.	.	H	α-helix	trans	-64.3	-44.1	179.7	174.8	0	0	0	0	111.5	F732 V733 L739 A740	F732-V736 HydrophobicContact CZ-CG2 4.46Å; F732-V736 PolarHBondContact O-N 3.33Å; V733-V736 PolarHBondContact O-N 2.98Å; V736-L739 PolarHBondContact O-N 2.88Å; V736-A740 PolarHBondContact O-N 3.32Å
737	A	27.3	Very low	28.2	Very low	63 Å²	63	101.4 Å²	101.4	52%	0.521	54%	0.543	S	S	.	.	H	α-helix	trans	-64.1	-42.4	-178.4	0	0	0	0	0	113	V733 L739 A740 G741	V733-A737 PolarHBondContact O-N 3.17Å; A737-L739 PolarHBondContact O-N 3.28Å; A737-A740 PolarHBondContact O-N 3.4Å; A737-G741 PolarHBondContact O-N 3.17Å
738	S	27.4	Very low	28.4	Very low	89 Å²	89	96.2 Å²	96.2	62%	0.622	53%	0.527	S	S	*	.	H	α-helix	trans	-66.9	-34.3	179.3	-61.8	0	0	0	0	113.1	R734 G741 G742	R734-S738 PolarHBondContact O-OG 3.39Å; S738-G741 PolarHBondContact O-N 3.03Å; S738-G742 PolarHBondContact O-N 3.08Å
739	L	27.8	Very low	28.5	Very low	121 Å²	121	94.8 Å²	94.8	63%	0.634	53%	0.534	S	S	*	.	H	α-helix	trans	-64.8	-40	178.8	-164.4	76.1	0	0	0	111.9	Q735 V736 A737 L743	Q735-L739 PolarHBondContact O-N 3.5Å; V736-L739 PolarHBondContact O-N 2.88Å; A737-L739 PolarHBondContact O-N 3.28Å; L739-L743 HydrophobicContact CG-CD1 4.48Å; L739-L743 PolarHBondContact O-N 3.43Å
740	A	29.5	Very low	28.7	Very low	66 Å²	66	96.5 Å²	96.5	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-67.3	-34	178.9	0	0	0	0	0	113.1	V736 A737	V736-A740 PolarHBondContact O-N 3.32Å; A737-A740 PolarHBondContact O-N 3.4Å
741	G	27.3	Very low	28.8	Very low	43 Å²	43	98.5 Å²	98.5	44%	0.443	55%	0.545	S	S	.	.	H	α-helix	trans	-66.6	-52.5	176.5	0	0	0	0	0	112.8	A737 S738 L743 F744 E745	A737-G741 PolarHBondContact O-N 3.17Å; S738-G741 PolarHBondContact O-N 3.03Å; G741-L743 PolarHBondContact O-N 3.43Å; G741-F744 WeakPolarHBondContact O-CB 3.46Å; G741-F744 PolarHBondContact O-N 2.9Å; G741-F744 VanDerWaalsContact O-N 3.13Å; G741-E745 PolarHBondContact O-N 3.45Å
742	G	27	Very low	28.8	Very low	34 Å²	34	97.1 Å²	97.1	35%	0.351	56%	0.555	S	S	.	*	H	α-helix	trans	-64.6	-35.7	-175.8	0	0	0	0	0	114.1	S738 F744 E745 V746	S738-G742 PolarHBondContact O-N 3.08Å; G742-F744 PolarHBondContact O-N 3.36Å; G742-E745 PolarHBondContact O-N 3.41Å; G742-V746 WeakPolarHBondContact O-CG2 3.09Å; G742-V746 PolarHBondContact O-N 3.37Å; G742-V746 VanDerWaalsContact O-N 3.13Å
743	L	30	Very low	28.7	Very low	105 Å²	105	94.4 Å²	94.4	55%	0.55	54%	0.543	S	S	.	.	H	α-helix	trans	-61	-32.2	175	-90.8	160.8	0	0	0	112.8	L739 G741 L747	L739-L743 HydrophobicContact CG-CD1 4.48Å; L739-L743 PolarHBondContact O-N 3.43Å; G741-L743 PolarHBondContact O-N 3.43Å; L743-L747 PolarHBondContact O-N 3.34Å
744	F	29	Very low	29.1	Very low	131 Å²	131	96.8 Å²	96.8	58%	0.575	55%	0.554	S	S	*	*	H	α-helix	trans	-74.3	-40.1	-179.7	-152.6	-89.6	0	0	0	112.1	G741 G742 A748	G741-F744 WeakPolarHBondContact O-CB 3.46Å; G741-F744 PolarHBondContact O-N 2.9Å; G741-F744 VanDerWaalsContact O-N 3.13Å; G742-F744 PolarHBondContact O-N 3.36Å; F744-A748 PolarHBondContact O-N 3.48Å
745	E	29.4	Very low	29.2	Very low	149 Å²	149	90.8 Å²	90.8	70%	0.696	55%	0.548	S	S	*	.	H	α-helix	trans	-65.5	-42.5	174.9	-69.7	-171.1	141.4	0	0	112.1	G741 G742 L747 A748 A749	G741-E745 PolarHBondContact O-N 3.45Å; G742-E745 PolarHBondContact O-N 3.41Å; E745-L747 PolarHBondContact O-N 2.77Å; E745-A748 PolarHBondContact O-N 3.44Å; E745-A749 WeakPolarHBondContact O-CB 3.35Å; E745-A749 PolarHBondContact O-N 3.13Å
746	V	29.9	Very low	29.3	Very low	80 Å²	80	89.6 Å²	89.6	49%	0.485	55%	0.55	S	S	.	*	H	α-helix	trans	-64	-40.1	178.9	174.5	0	0	0	0	111.4	G742 A749 F750	G742-V746 WeakPolarHBondContact O-CG2 3.09Å; G742-V746 PolarHBondContact O-N 3.37Å; G742-V746 VanDerWaalsContact O-N 3.13Å; V746-A749 PolarHBondContact O-N 2.72Å; V746-F750 HydrophobicContact CG1-CD2 3.71Å; V746-F750 HydrophobicContact CG1-CE2 4.04Å; V746-F750 WeakPolarHBondContact O-CB 3.18Å; V746-F750 PolarHBondContact O-N 3.12Å
747	L	28	Very low	29.3	Very low	105 Å²	105	90.3 Å²	90.3	55%	0.55	55%	0.549	S	S	.	.	H	α-helix	trans	-66.7	-38.1	177	-100.8	160.3	0	0	0	113.4	L743 E745	L743-L747 PolarHBondContact O-N 3.34Å; E745-L747 PolarHBondContact O-N 2.77Å
748	A	29.6	Very low	29.3	Very low	41 Å²	41	89.7 Å²	89.7	34%	0.339	54%	0.539	S	S	.	.	H	α-helix	trans	-66.1	-42.3	173.5	0	0	0	0	0	111.6	F744 E745 G752	F744-A748 PolarHBondContact O-N 3.48Å; E745-A748 PolarHBondContact O-N 3.44Å; A748-G752 PolarHBondContact O-N 2.72Å
749	A	32.3	Very low	29.4	Very low	79 Å²	79	91.2 Å²	91.2	65%	0.653	54%	0.538	S	S	*	.	H	α-helix	trans	-67.9	-43	179.9	0	0	0	0	0	113.5	E745 V746	E745-A749 WeakPolarHBondContact O-CB 3.35Å; E745-A749 PolarHBondContact O-N 3.13Å; V746-A749 PolarHBondContact O-N 2.72Å
750	F	31.7	Very low	29.4	Very low	169 Å²	169	87 Å²	87	74%	0.741	52%	0.524	S	S	*	.	H	α-helix	trans	-72.9	-33.4	-173.3	-101	-88.1	0	0	0	114.7	V746	V746-F750 HydrophobicContact CG1-CD2 3.71Å; V746-F750 HydrophobicContact CG1-CE2 4.04Å; V746-F750 WeakPolarHBondContact O-CB 3.18Å; V746-F750 PolarHBondContact O-N 3.12Å
751	N	28.1	Very low	29.3	Very low	95 Å²	95	88.1 Å²	88.1	51%	0.508	52%	0.52	S	S	.	.	H	α-helix	trans	-105.4	5.5	-174.6	-66.5	-40.7	0	0	0	113.6	F753	N751-F753 HydrophobicContact CB-CD2 3.43Å; N751-F753 VanDerWaalsContact CB-CD2 3.43Å; N751-F753 HydrophobicContact CB-CE2 3.4Å; N751-F753 VanDerWaalsContact CB-CE2 3.4Å; N751-F753 HydrophobicContact CB-CG 4.35Å; N751-F753 HydrophobicContact CB-CZ 4.31Å; N751-F753 PolarHBondContact O-N 3.03Å; N751-F753 VanDerWaalsContact O-N 3.13Å
752	G	29.5	Very low	29.3	Very low	64 Å²	64	93.8 Å²	93.8	66%	0.66	53%	0.529	S	S	*	.			trans	66.4	11.6	177.2	0	0	0	0	0	115	A748 N754	A748-G752 PolarHBondContact O-N 2.72Å; G752-N754 PolarHBondContact O-N 3.22Å
753	F	27.4	Very low	29.3	Very low	84 Å²	84	95.6 Å²	95.6	37%	0.368	54%	0.536	S	S	.	.			trans	-76	115.8	179.4	-63.9	-55.4	0	0	0	110.3	N751 M757 V758	N751-F753 HydrophobicContact CB-CD2 3.43Å; N751-F753 VanDerWaalsContact CB-CD2 3.43Å; N751-F753 HydrophobicContact CB-CE2 3.4Å; N751-F753 VanDerWaalsContact CB-CE2 3.4Å; N751-F753 HydrophobicContact CB-CG 4.35Å; N751-F753 HydrophobicContact CB-CZ 4.31Å; N751-F753 PolarHBondContact O-N 3.03Å; N751-F753 VanDerWaalsContact O-N 3.13Å; F753-M757 HydrophobicContact CD1-CE 4.22Å; F753-V758 HydrophobicContact CB-CG2 3.93Å
754	N	35.7	Very low	29.2	Very low	88 Å²	88	97.4 Å²	97.4	47%	0.471	54%	0.542	S	S	.	.			trans	-70.2	155.1	166.3	75.9	33.8	0	0	0	110.3	G752 T756 M757 V758	G752-N754 PolarHBondContact O-N 3.22Å; N754-T756 PolarHBondContact O-N 3.06Å; N754-T756 VanDerWaalsContact O-N 3.1Å; N754-T756 WeakPolarHBondContact OD1-CA 3.21Å; N754-T756 VanDerWaalsContact OD1-CB 3.29Å; N754-T756 WeakPolarHBondContact OD1-CB 3.37Å; N754-T756 PolarHBondContact OD1-N 3.23Å; N754-T756 VanDerWaalsContact OD1-N 3.14Å; N754-M757 PolarHBondContact O-N 3.08Å; N754-M757 PolarHBondContact OD1-N 3.48Å; N754-V758 PolarHBondContact O-N 2.91Å
755	A	29.5	Very low	29.1	Very low	78 Å²	78	95.3 Å²	95.3	65%	0.645	54%	0.536	S	S	*	.	H	α-helix	trans	-57.5	-29.2	-176.3	0	0	0	0	0	113.3	V758 M759	A755-V758 PolarHBondContact O-N 3.36Å; A755-M759 PolarHBondContact O-N 3.34Å
756	T	30.2	Very low	28.9	Very low	111 Å²	111	91 Å²	91	68%	0.681	53%	0.526	S	S	*	.	H	α-helix	trans	-67.2	-39.8	177.3	-34.7	0	0	0	0	112.1	N754 M759 G760	N754-T756 PolarHBondContact O-N 3.06Å; N754-T756 VanDerWaalsContact O-N 3.1Å; N754-T756 WeakPolarHBondContact OD1-CA 3.21Å; N754-T756 VanDerWaalsContact OD1-CB 3.29Å; N754-T756 WeakPolarHBondContact OD1-CB 3.37Å; N754-T756 PolarHBondContact OD1-N 3.23Å; N754-T756 VanDerWaalsContact OD1-N 3.14Å; T756-M759 PolarHBondContact O-N 2.96Å; T756-G760 PolarHBondContact O-N 3.46Å
757	M	29.2	Very low	28.7	Very low	101 Å²	101	93 Å²	93	50%	0.498	53%	0.534	S	S	.	.	H	α-helix	trans	-67	-37.6	173.8	-70.1	179.3	71.7	0	0	111.9	F753 N754 G760 L761	F753-M757 HydrophobicContact CD1-CE 4.22Å; N754-M757 PolarHBondContact O-N 3.08Å; N754-M757 PolarHBondContact OD1-N 3.48Å; M757-G760 PolarHBondContact O-N 3.39Å; M757-L761 PolarHBondContact O-N 3.33Å
758	V	27.9	Very low	28.9	Very low	51 Å²	51	90.4 Å²	90.4	31%	0.309	53%	0.532	S	S	.	.	H	α-helix	trans	-64.8	-41.8	175.6	-179.6	0	0	0	0	111	F753 N754 A755 L761 Y762	F753-V758 HydrophobicContact CB-CG2 3.93Å; N754-V758 PolarHBondContact O-N 2.91Å; A755-V758 PolarHBondContact O-N 3.36Å; V758-L761 PolarHBondContact O-N 2.86Å; V758-Y762 PolarHBondContact O-N 3.23Å
759	M	28.5	Very low	28.8	Very low	120 Å²	120	98.6 Å²	98.6	59%	0.591	55%	0.554	S	S	*	*	H	α-helix	trans	-63.9	-40	173.5	-78	-62.2	-60.3	0	0	112.6	A755 T756 Y762 S763	A755-M759 PolarHBondContact O-N 3.34Å; T756-M759 PolarHBondContact O-N 2.96Å; M759-Y762 PolarHBondContact O-N 3.34Å; M759-S763 PolarHBondContact O-N 2.96Å; M759-S763 PolarHBondContact O-OG 2.87Å; M759-S763 VanDerWaalsContact O-OG 3.13Å
760	G	27.5	Very low	28.7	Very low	33 Å²	33	97.5 Å²	97.5	34%	0.34	54%	0.539	S	S	.	.	H	α-helix	trans	-63.6	-39.9	175	0	0	0	0	0	113.4	T756 M757 S763 E764	T756-G760 PolarHBondContact O-N 3.46Å; M757-G760 PolarHBondContact O-N 3.39Å; G760-S763 PolarHBondContact O-N 2.89Å; G760-S763 PolarHBondContact O-OG 3.26Å; G760-S763 VanDerWaalsContact O-OG 3.08Å; G760-E764 PolarHBondContact O-N 3.44Å; G760-E764 VanDerWaalsContact O-N 3.08Å
761	L	27.8	Very low	28.4	Very low	89 Å²	89	93.5 Å²	93.5	47%	0.466	53%	0.525	S	S	.	.	H	α-helix	trans	-63.9	-40.1	171.5	-98.2	153.8	0	0	0	111.8	M757 V758 E764 I765	M757-L761 PolarHBondContact O-N 3.33Å; V758-L761 PolarHBondContact O-N 2.86Å; L761-E764 PolarHBondContact O-N 3.34Å; L761-I765 HydrophobicContact CD2-CD1 4.48Å; L761-I765 WeakPolarHBondContact O-CB 3.35Å; L761-I765 WeakPolarHBondContact O-CD1 3.47Å; L761-I765 WeakPolarHBondContact O-CG1 3.14Å; L761-I765 PolarHBondContact O-N 2.97Å
762	Y	27.7	Very low	28.6	Very low	162 Å²	162	95.2 Å²	95.2	64%	0.635	53%	0.528	S	S	*	.	H	α-helix	trans	-66.4	-37.4	179.1	-156.7	-88.6	0	0	0	112.4	V758 M759 A766	V758-Y762 PolarHBondContact O-N 3.23Å; M759-Y762 PolarHBondContact O-N 3.34Å; Y762-A766 WeakPolarHBondContact O-CB 3.47Å; Y762-A766 PolarHBondContact O-N 2.91Å; Y762-A766 VanDerWaalsContact O-N 3.07Å
763	S	27.5	Very low	28.5	Very low	72 Å²	72	93.9 Å²	93.9	50%	0.503	51%	0.507	S	S	.	.	H	α-helix	trans	-73.5	-31.3	174.7	47.4	0	0	0	0	113.5	M759 G760	M759-S763 PolarHBondContact O-N 2.96Å; M759-S763 PolarHBondContact O-OG 2.87Å; M759-S763 VanDerWaalsContact O-OG 3.13Å; G760-S763 PolarHBondContact O-N 2.89Å; G760-S763 PolarHBondContact O-OG 3.26Å; G760-S763 VanDerWaalsContact O-OG 3.08Å
764	E	27.2	Very low	28.6	Very low	144 Å²	144	94.7 Å²	94.7	67%	0.673	52%	0.515	S	S	*	.	H	α-helix	trans	-67.4	-44.2	167.8	-80	-131.7	133.6	0	0	112.4	G760 L761 A766 N767	G760-E764 PolarHBondContact O-N 3.44Å; G760-E764 VanDerWaalsContact O-N 3.08Å; L761-E764 PolarHBondContact O-N 3.34Å; E764-A766 PolarHBondContact O-N 3.42Å; E764-N767 WeakPolarHBondContact O-CB 3.42Å; E764-N767 PolarHBondContact O-N 3.07Å
765	I	26	Very low	28.3	Very low	87 Å²	87	94.5 Å²	94.5	45%	0.446	51%	0.514	S	S	.	.	H	α-helix	trans	-62.7	-31	178.7	-69.4	163.8	0	0	0	111.4	L761 N767 T770	L761-I765 HydrophobicContact CD2-CD1 4.48Å; L761-I765 WeakPolarHBondContact O-CB 3.35Å; L761-I765 WeakPolarHBondContact O-CD1 3.47Å; L761-I765 WeakPolarHBondContact O-CG1 3.14Å; L761-I765 PolarHBondContact O-N 2.97Å; I765-N767 VanDerWaalsContact C-N 3.29Å; I765-N767 PolarHBondContact O-N 3.41Å; I765-T770 WeakPolarHBondContact O-CB 3.31Å; I765-T770 PolarHBondContact O-OG1 2.81Å
766	A	26.2	Very low	28.3	Very low	59 Å²	59	93.2 Å²	93.2	49%	0.488	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-14.9	175.1	0	0	0	0	0	114.4	Y762 E764 G768	Y762-A766 WeakPolarHBondContact O-CB 3.47Å; Y762-A766 PolarHBondContact O-N 2.91Å; Y762-A766 VanDerWaalsContact O-N 3.07Å; E764-A766 PolarHBondContact O-N 3.42Å; A766-G768 VanDerWaalsContact C-N 3.3Å; A766-G768 PolarHBondContact O-N 3.39Å
767	N	26.4	Very low	28.1	Very low	122 Å²	122	92 Å²	92	65%	0.652	49%	0.492	S	S	*	.	S	Bend	trans	-75.1	75.5	-179.6	-83.5	-32.4	0	0	0	113.1	E764 I765 R769	E764-N767 WeakPolarHBondContact O-CB 3.42Å; E764-N767 PolarHBondContact O-N 3.07Å; I765-N767 VanDerWaalsContact C-N 3.29Å; I765-N767 PolarHBondContact O-N 3.41Å; N767-R769 VanDerWaalsContact C-N 3.27Å; N767-R769 PolarHBondContact O-N 3.41Å
768	G	30.7	Very low	28	Very low	49 Å²	49	94.3 Å²	94.3	51%	0.505	50%	0.495	S	S	.	.	S	Bend	trans	70.7	-40.4	149	0	0	0	0	0	119.1	A766	A766-G768 VanDerWaalsContact C-N 3.3Å; A766-G768 PolarHBondContact O-N 3.39Å
769	R	29	Very low	28	Very low	213 Å²	213	97 Å²	97	80%	0.804	51%	0.506	S	S	*	.	S	Bend	trans	-87.1	-39.2	-175.9	-68	-170.8	179.1	-162.3	1.4	112.7	N767 I771	N767-R769 VanDerWaalsContact C-N 3.27Å; N767-R769 PolarHBondContact O-N 3.41Å; R769-I771 PolarHBondContact O-N 3.07Å
770	T	28.1	Very low	27.9	Very low	56 Å²	56	96.1 Å²	96.1	34%	0.344	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-22.2	-172.1	-1.8	0	0	0	0	115	I765 K772 T773 L774	I765-T770 WeakPolarHBondContact O-CB 3.31Å; I765-T770 PolarHBondContact O-OG1 2.81Å; T770-K772 PolarHBondContact O-N 3.36Å; T770-T773 PolarHBondContact O-N 3.41Å; T770-T773 VanDerWaalsContact O-N 3.11Å; T770-L774 PolarHBondContact O-N 3.05Å
771	I	27.3	Very low	27.9	Very low	85 Å²	85	98.8 Å²	98.8	44%	0.436	52%	0.519	S	S	.	.	H	α-helix	trans	-59.3	-37.7	178.9	-64.6	176.1	0	0	0	110.9	R769 T773 L774 D775	R769-I771 PolarHBondContact O-N 3.07Å; I771-T773 VanDerWaalsContact C-N 3.3Å; I771-T773 PolarHBondContact O-N 3.49Å; I771-L774 PolarHBondContact O-N 3.28Å; I771-D775 PolarHBondContact O-N 3.15Å
772	K	30.7	Very low	27.7	Very low	131 Å²	131	99 Å²	99	57%	0.57	52%	0.517	S	S	*	.	H	α-helix	trans	-68.8	-27	179.1	-65.1	-173.2	178.5	-177.7	0	113.1	T770 A776 Q920	T770-K772 PolarHBondContact O-N 3.36Å; K772-A776 WeakPolarHBondContact O-CB 3.44Å; K772-A776 PolarHBondContact O-N 3.29Å; K772-Q920 VanDerWaalsContact CE-OE1 3.31Å
773	T	29.2	Very low	27.4	Very low	36 Å²	36	92.7 Å²	92.7	22%	0.221	50%	0.502	C	S	.	.	H	α-helix	trans	-75.7	-33.1	-179.9	-38.3	0	0	0	0	111.9	P54 T770 I771 L777	P54-T773 HydrophobicContact CG-CG2 3.75Å; T770-T773 PolarHBondContact O-N 3.41Å; T770-T773 VanDerWaalsContact O-N 3.11Å; I771-T773 VanDerWaalsContact C-N 3.3Å; I771-T773 PolarHBondContact O-N 3.49Å; T773-L777 PolarHBondContact O-N 2.94Å
774	L	28.2	Very low	27.4	Very low	101 Å²	101	97.1 Å²	97.1	53%	0.529	51%	0.514	S	S	.	.	H	α-helix	trans	-65.4	-55.4	171.5	-83	165	0	0	0	110.5	T770 I771 A776 L777 W778	T770-L774 PolarHBondContact O-N 3.05Å; I771-L774 PolarHBondContact O-N 3.28Å; L774-A776 PolarHBondContact O-N 3.35Å; L774-A776 VanDerWaalsContact O-N 3.1Å; L774-L777 PolarHBondContact O-N 3.45Å; L774-W778 VanDerWaalsContact O-CD1 3.27Å; L774-W778 PolarHBondContact O-N 3.23Å
775	D	30.6	Very low	27.2	Very low	85 Å²	85	94.2 Å²	94.2	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-53.1	-39.3	179.9	-73.6	-21.5	0	0	0	112.2	I771 L777 W778 I779	I771-D775 PolarHBondContact O-N 3.15Å; D775-L777 VanDerWaalsContact C-N 3.34Å; D775-L777 PolarHBondContact O-N 3.1Å; D775-W778 PolarHBondContact O-N 3.4Å; D775-W778 VanDerWaalsContact O-N 3.15Å; D775-I779 WeakPolarHBondContact O-CD1 3.45Å; D775-I779 WeakPolarHBondContact O-CG1 3.49Å; D775-I779 PolarHBondContact O-N 3.46Å
776	A	29.1	Very low	27.1	Very low	50 Å²	50	95.6 Å²	95.6	41%	0.413	52%	0.519	S	S	.	.	H	α-helix	trans	-61.3	-32.3	176.8	0	0	0	0	0	114.9	K772 L774 P780	K772-A776 WeakPolarHBondContact O-CB 3.44Å; K772-A776 PolarHBondContact O-N 3.29Å; L774-A776 PolarHBondContact O-N 3.35Å; L774-A776 VanDerWaalsContact O-N 3.1Å; A776-P780 WeakPolarHBondContact O-CD 3.3Å
777	L	26.4	Very low	26.9	Very low	85 Å²	85	94.3 Å²	94.3	45%	0.445	51%	0.512	S	S	.	.	H	α-helix	trans	-76.2	-29.9	174.8	-83	166.3	0	0	0	112.7	P54 T773 L774 D775	P54-L777 HydrophobicContact CG-CD1 3.98Å; T773-L777 PolarHBondContact O-N 2.94Å; L774-L777 PolarHBondContact O-N 3.45Å; D775-L777 VanDerWaalsContact C-N 3.34Å; D775-L777 PolarHBondContact O-N 3.1Å
778	W	27.1	Very low	26.7	Very low	150 Å²	150	95.5 Å²	95.5	57%	0.568	51%	0.508	S	S	*	.	H	α-helix	trans	-86	-24.4	-179.8	-69.1	78.3	0	0	0	112.3	L774 D775 T781 F782	L774-W778 VanDerWaalsContact O-CD1 3.27Å; L774-W778 PolarHBondContact O-N 3.23Å; D775-W778 PolarHBondContact O-N 3.4Å; D775-W778 VanDerWaalsContact O-N 3.15Å; W778-T781 CarbonylContact O-C 3.54Å; W778-T781 PolarHBondContact O-N 3.12Å; W778-F782 HydrophobicContact CB-CD2 4.44Å; W778-F782 HydrophobicContact CD2-CD2 4.5Å; W778-F782 AromaticContact CE3-CD2 3.54Å; W778-F782 HydrophobicContact CE3-CD2 3.54Å; W778-F782 AromaticContact CE3-CE2 3.32Å; W778-F782 HydrophobicContact CE3-CE2 3.32Å; W778-F782 HydrophobicContact CE3-CZ 4.37Å; W778-F782 HydrophobicContact CZ3-CD2 4.22Å; W778-F782 AromaticContact CZ3-CE2 3.51Å; W778-F782 HydrophobicContact CZ3-CE2 3.51Å; W778-F782 HydrophobicContact CZ3-CZ 4.26Å; W778-F782 WeakPolarHBondContact O-CB 3.1Å; W778-F782 PolarHBondContact O-N 2.79Å
779	I	27.9	Very low	26.3	Very low	107 Å²	107	101.3 Å²	101.3	55%	0.549	52%	0.522	S	S	.	.	H	α-helix	trans	-59.8	-38.9	179.2	-76.7	160.9	0	0	0	115	D775 T781 G783	D775-I779 WeakPolarHBondContact O-CD1 3.45Å; D775-I779 WeakPolarHBondContact O-CG1 3.49Å; D775-I779 PolarHBondContact O-N 3.46Å; I779-T781 PolarHBondContact O-N 2.77Å; I779-G783 WeakPolarHBondContact O-CA 3.03Å; I779-G783 PolarHBondContact O-N 3.33Å
780	P	25	Very low	26.1	Very low	102 Å²	102	94.7 Å²	94.7	66%	0.662	51%	0.505	S	S	*	.	H	α-helix	trans	-66.5	-23.5	173.1	-24.2	34.8	0	0	0	113.6	A776	A776-P780 WeakPolarHBondContact O-CD 3.3Å
781	T	27.4	Very low	26	Very low	89 Å²	89	96.3 Å²	96.3	55%	0.546	51%	0.512	S	S	.	.	H	α-helix	trans	-94.2	-27.7	-177.9	-46.7	0	0	0	0	111.9	W778 I779	W778-T781 CarbonylContact O-C 3.54Å; W778-T781 PolarHBondContact O-N 3.12Å; I779-T781 PolarHBondContact O-N 2.77Å
782	F	23.6	Very low	26	Very low	93 Å²	93	95.1 Å²	95.1	41%	0.408	50%	0.502	S	S	.	.	H	α-helix	trans	-135.4	9.9	-171.1	-66.8	-78.3	0	0	0	114.9	W778 H784 I785	W778-F782 HydrophobicContact CB-CD2 4.44Å; W778-F782 HydrophobicContact CD2-CD2 4.5Å; W778-F782 AromaticContact CE3-CD2 3.54Å; W778-F782 HydrophobicContact CE3-CD2 3.54Å; W778-F782 AromaticContact CE3-CE2 3.32Å; W778-F782 HydrophobicContact CE3-CE2 3.32Å; W778-F782 HydrophobicContact CE3-CZ 4.37Å; W778-F782 HydrophobicContact CZ3-CD2 4.22Å; W778-F782 AromaticContact CZ3-CE2 3.51Å; W778-F782 HydrophobicContact CZ3-CE2 3.51Å; W778-F782 HydrophobicContact CZ3-CZ 4.26Å; W778-F782 WeakPolarHBondContact O-CB 3.1Å; W778-F782 PolarHBondContact O-N 2.79Å; F782-H784 PolarHBondContact O-N 3.38Å; F782-I785 HydrophobicContact CD1-CD1 3.71Å; F782-I785 HydrophobicContact CD1-CG1 4.35Å; F782-I785 HydrophobicContact CE1-CD1 4.36Å; F782-I785 PolarHBondContact O-N 2.83Å
783	G	23	Very low	25.9	Very low	31 Å²	31	93.2 Å²	93.2	32%	0.32	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-4.5	177.5	0	0	0	0	0	114.5	I779	I779-G783 WeakPolarHBondContact O-CA 3.03Å; I779-G783 PolarHBondContact O-N 3.33Å
784	H	26	Very low	25.9	Very low	165 Å²	165	96.2 Å²	96.2	76%	0.764	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-3.8	170.2	-44.8	-59.2	0	0	0	113.1	F782	F782-H784 PolarHBondContact O-N 3.38Å
785	I	24.3	Very low	25.7	Very low	83 Å²	83	97.9 Å²	97.9	43%	0.426	51%	0.512	S	S	.	.			trans	-110	2.8	-177	-44.8	-162.9	0	0	0	112.2	F782 G787 W788	F782-I785 HydrophobicContact CD1-CD1 3.71Å; F782-I785 HydrophobicContact CD1-CG1 4.35Å; F782-I785 HydrophobicContact CE1-CD1 4.36Å; F782-I785 PolarHBondContact O-N 2.83Å; I785-G787 PolarHBondContact O-N 3.2Å; I785-W788 HydrophobicContact CG2-CB 4.2Å; I785-W788 HydrophobicContact CG2-CG 4.05Å
786	S	22.6	Very low	25.5	Very low	115 Å²	115	103.5 Å²	103.5	80%	0.804	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	74.7	168.3	63.3	0	0	0	0	111.3
787	G	22.3	Very low	25.5	Very low	33 Å²	33	108.1 Å²	108.1	34%	0.34	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	172.4	7.4	-176.9	0	0	0	0	0	115.5	T700 I785	T700-G787 WeakPolarHBondContact CB-O 3.44Å; T700-G787 PolarHBondContact OG1-O 3.44Å; I785-G787 PolarHBondContact O-N 3.2Å
788	W	22.2	Very low	25.5	Very low	147 Å²	147	108.9 Å²	108.9	56%	0.557	55%	0.547	S	S	*	.			trans	-115.4	70.3	-174.3	-67.9	68.2	0	0	0	112.2	H703 I785	H703-W788 HydrophobicContact CB-CH2 4.38Å; I785-W788 HydrophobicContact CG2-CB 4.2Å; I785-W788 HydrophobicContact CG2-CG 4.05Å
789	E	23.7	Very low	25.5	Very low	170 Å²	170	105.7 Å²	105.7	79%	0.794	56%	0.561	S	S	*	*			trans	-108	118.9	161.7	-70.5	-160.7	147.1	0	0	109.6
790	V	24.8	Very low	25.5	Very low	75 Å²	75	104.7 Å²	104.7	46%	0.455	58%	0.577	S	S	.	*			trans	-120.4	110.2	-174.7	178.1	0	0	0	0	109	L704	L704-V790 HydrophobicContact CD1-CB 4.32Å; L704-V790 HydrophobicContact CD1-CG1 3.77Å; L704-V790 HydrophobicContact CD1-CG2 3.78Å
791	N	26	Very low	25.6	Very low	90 Å²	90	104.7 Å²	104.7	48%	0.481	57%	0.571	S	S	.	*			trans	-80.7	130.6	179.4	-177.1	-25.4	0	0	0	111.1	N793 N794	N791-N793 PolarHBondContact O-N 3.41Å; N791-N793 WeakPolarHBondContact OD1-CB 3.49Å; N791-N793 PolarHBondContact OD1-N 3.01Å; N791-N794 PolarHBondContact O-N 3.32Å
792	R	26.8	Very low	25.7	Very low	60 Å²	60	109.3 Å²	109.3	23%	0.226	59%	0.586	C	S	.	*	T	Hydrogen-bonded Turn	trans	-65	-15.4	-178.4	-172.8	167.3	170.8	-119.8	10.5	115	N794 W795 G810 D812	R792-N794 PolarHBondContact O-N 3.28Å; R792-N794 VanDerWaalsContact O-N 3.16Å; R792-W795 HydrophobicContact CG-CB 4.43Å; R792-W795 WeakPolarHBondContact O-CB 3.36Å; R792-W795 PolarHBondContact O-N 3.31Å; R792-G810 VanDerWaalsContact CZ-C 3.47Å; R792-G810 PolarHBondContact NH1-O 3.47Å; R792-G810 PolarHBondContact NH2-O 3.14Å; R792-D812 HydrophobicContact CB-CB 3.85Å; R792-D812 WeakPolarHBondContact CD-OD1 3.33Å; R792-D812 IonicContact CZ-OD1 3.37Å; R792-D812 IonicContact NE-OD1 3.35Å; R792-D812 IonicContact NH1-OD1 2.72Å; R792-D812 PolarHBondContact NH1-OD1 3.06Å
793	N	28.2	Very low	25.8	Very low	91 Å²	91	109.1 Å²	109.1	49%	0.487	60%	0.596	S	S	.	*	H	α-helix	trans	-58.3	-26.8	171.5	-78	-19.9	0	0	0	113	N791 W795	N791-N793 PolarHBondContact O-N 3.41Å; N791-N793 WeakPolarHBondContact OD1-CB 3.49Å; N791-N793 PolarHBondContact OD1-N 3.01Å; N793-W795 VanDerWaalsContact C-N 3.27Å; N793-W795 PolarHBondContact O-N 2.83Å
794	N	28.5	Very low	25.8	Very low	98 Å²	98	110.9 Å²	110.9	52%	0.524	60%	0.602	S	S	.	*	H	α-helix	trans	-66	-27.6	171.9	-73.9	-5.5	0	0	0	113	N791 R792 L798	N791-N794 PolarHBondContact O-N 3.32Å; R792-N794 PolarHBondContact O-N 3.28Å; R792-N794 VanDerWaalsContact O-N 3.16Å; N794-L798 VanDerWaalsContact O-CD1 3.28Å; N794-L798 WeakPolarHBondContact O-CD1 3.33Å; N794-L798 WeakPolarHBondContact O-CG 3.49Å
795	W	24.3	Very low	25.8	Very low	137 Å²	137	107.8 Å²	107.8	52%	0.519	60%	0.599	S	S	.	*	H	α-helix	trans	-78.9	-32.2	-179.7	-74.8	82.5	0	0	0	113.2	R792 N793 L801	R792-W795 HydrophobicContact CG-CB 4.43Å; R792-W795 WeakPolarHBondContact O-CB 3.36Å; R792-W795 PolarHBondContact O-N 3.31Å; N793-W795 VanDerWaalsContact C-N 3.27Å; N793-W795 PolarHBondContact O-N 2.83Å; W795-L801 HydrophobicContact CZ3-CD1 4.28Å
796	R	26.4	Very low	25.7	Very low	203 Å²	203	108.9 Å²	108.9	77%	0.766	61%	0.609	S	S	*	*	H	α-helix	trans	-81.9	-17.6	-178.6	-86.6	-172.4	166.8	-176	-4.5	114.7
797	L	28.7	Very low	25.7	Very low	147 Å²	147	109.8 Å²	109.8	77%	0.77	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-2.2	177.6	-75.7	167	0	0	0	113.7
798	L	27.7	Very low	25.8	Very low	101 Å²	101	113.6 Å²	113.6	53%	0.529	62%	0.616	S	S	.	*			trans	-122.1	81.9	-173.1	-62.4	177.9	0	0	0	110.6	N794	N794-L798 VanDerWaalsContact O-CD1 3.28Å; N794-L798 WeakPolarHBondContact O-CD1 3.33Å; N794-L798 WeakPolarHBondContact O-CG 3.49Å
799	G	26.7	Very low	25.8	Very low	83 Å²	83	117.6 Å²	117.6	86%	0.856	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	150.5	170.5	0	0	0	0	0	112
800	G	28.2	Very low	25.8	Very low	85 Å²	85	111.8 Å²	111.8	88%	0.876	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	105.9	-4.3	-179.5	0	0	0	0	0	115.5
801	L	26.3	Very low	26	Very low	103 Å²	103	112.7 Å²	112.7	54%	0.539	62%	0.62	S	S	.	*			trans	-98.4	107.5	164.6	-74	165.1	0	0	0	109.1	W795 S803	W795-L801 HydrophobicContact CZ3-CD1 4.28Å; L801-S803 PolarHBondContact O-N 3.11Å
802	E	29.7	Very low	26.1	Very low	186 Å²	186	111.7 Å²	111.7	87%	0.869	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-59.3	127.7	162.5	-77.5	-152.2	137.8	0	0	108.3	P804	E802-P804 VanDerWaalsContact O-CD 3.31Å; E802-P804 WeakPolarHBondContact O-CD 3.23Å; E802-P804 VanDerWaalsContact O-N 3.14Å
803	S	25.7	Very low	26.2	Very low	88 Å²	88	112.4 Å²	112.4	62%	0.615	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-63.1	119.4	175	57.3	0	0	0	0	107.9	L801 S805	L801-S803 PolarHBondContact O-N 3.11Å; S803-S805 PolarHBondContact O-N 3.37Å
804	P	23.7	Very low	26.2	Very low	68 Å²	68	110.8 Å²	110.8	44%	0.442	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-56.7	119	176.4	22.1	-31.7	0	0	0	107.1	E802 V806 L807	E802-P804 VanDerWaalsContact O-CD 3.31Å; E802-P804 WeakPolarHBondContact O-CD 3.23Å; E802-P804 VanDerWaalsContact O-N 3.14Å; P804-V806 PolarHBondContact O-N 3.34Å; P804-L807 HydrophobicContact CG-CB 4.31Å; P804-L807 HydrophobicContact CG-CD1 4.1Å; P804-L807 PolarHBondContact O-N 3.07Å
805	S	24.8	Very low	26.1	Very low	100 Å²	100	108.9 Å²	108.9	70%	0.699	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-9.5	-155.7	-32.7	0	0	0	0	114.4	S803 Y827	S803-S805 PolarHBondContact O-N 3.37Å; S805-Y827 PolarHBondContact O-OH 2.94Å
806	V	22.7	Very low	26.2	Very low	106 Å²	106	111 Å²	111	64%	0.642	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-8.6	-179.8	-169.8	0	0	0	0	113.4	P804 L808 Y827	P804-V806 PolarHBondContact O-N 3.34Å; V806-L808 PolarHBondContact O-N 3.17Å; V806-Y827 HydrophobicContact CB-CE2 4.4Å; V806-Y827 HydrophobicContact CG1-CE2 4.18Å; V806-Y827 HydrophobicContact CG2-CE2 4.4Å
807	L	23	Very low	26.3	Very low	135 Å²	135	106.8 Å²	106.8	71%	0.707	60%	0.6	S	S	*	*	S	Bend	trans	-98.8	86.5	170.7	-77	168.7	0	0	0	111.3	P804	P804-L807 HydrophobicContact CG-CB 4.31Å; P804-L807 HydrophobicContact CG-CD1 4.1Å; P804-L807 PolarHBondContact O-N 3.07Å
808	L	24	Very low	26.1	Very low	113 Å²	113	103.2 Å²	103.2	59%	0.592	58%	0.582	S	S	*	*			trans	1	113.6	165.4	-66.2	167.3	0	0	0	116.6	V806 G810 H826	V806-L808 PolarHBondContact O-N 3.17Å; L808-G810 PolarHBondContact O-N 3.16Å; L808-H826 HydrophobicContact CD2-CB 4.15Å
809	R	22.8	Very low	26	Very low	230 Å²	230	101.4 Å²	101.4	87%	0.868	58%	0.575	S	S	*	*	S	Bend	trans	-41.6	135	146.3	-80.2	178.4	167.9	-179.3	-3.5	108.8
810	G	24.1	Very low	25.7	Very low	49 Å²	49	104.2 Å²	104.2	51%	0.505	56%	0.564	S	S	.	*			trans	157.1	-67.3	147.9	0	0	0	0	0	117.5	R792 L808	R792-G810 VanDerWaalsContact CZ-C 3.47Å; R792-G810 PolarHBondContact NH1-O 3.47Å; R792-G810 PolarHBondContact NH2-O 3.14Å; L808-G810 PolarHBondContact O-N 3.16Å
811	D	27.1	Very low	25.5	Very low	93 Å²	93	108 Å²	108	50%	0.497	56%	0.557	S	S	.	*			trans	-131.4	135.4	-152.5	-161.6	-7.2	0	0	0	115	R813	D811-R813 VanDerWaalsContact C-N 3.34Å; D811-R813 WeakPolarHBondContact OD1-CB 3.45Å; D811-R813 PolarHBondContact OD1-N 3.49Å
812	D	29.3	Very low	25.3	Very low	69 Å²	69	105 Å²	105	37%	0.369	55%	0.55	S	S	.	*	S	Bend	trans	-84.5	-11.3	-179.7	-49.5	24.1	0	0	0	111.7	R792	R792-D812 HydrophobicContact CB-CB 3.85Å; R792-D812 WeakPolarHBondContact CD-OD1 3.33Å; R792-D812 IonicContact CZ-OD1 3.37Å; R792-D812 IonicContact NE-OD1 3.35Å; R792-D812 IonicContact NH1-OD1 2.72Å; R792-D812 PolarHBondContact NH1-OD1 3.06Å
813	R	28.2	Very low	24.9	Very low	75 Å²	75	102.6 Å²	102.6	28%	0.283	54%	0.543	S	S	.	.			trans	-110.6	9.4	-168.2	-57	-165.7	-175.8	84.7	6.6	115	D811 K815 G906 P907	D811-R813 VanDerWaalsContact C-N 3.34Å; D811-R813 WeakPolarHBondContact OD1-CB 3.45Å; D811-R813 PolarHBondContact OD1-N 3.49Å; R813-K815 VanDerWaalsContact C-N 3.26Å; R813-K815 PolarHBondContact O-N 3.29Å; R813-G906 VanDerWaalsContact CD-C 3.44Å; R813-G906 WeakPolarHBondContact CD-O 3.42Å; R813-G906 VanDerWaalsContact NE-C 3.26Å; R813-G906 PolarHBondContact NE-O 2.71Å; R813-P907 VanDerWaalsContact CZ-N 3.29Å
814	A	28.1	Very low	24.8	Very low	58 Å²	58	102.1 Å²	102.1	48%	0.479	54%	0.536	S	S	.	.			trans	-68.8	80.8	172.9	0	0	0	0	0	111.4
815	K	26.9	Very low	24.7	Very low	57 Å²	57	100.9 Å²	100.9	25%	0.248	53%	0.528	C	S	.	.			trans	-59.4	155.2	166.7	-64	-167.9	176	-162.7	0	109.8	R813 H817 N818 V819 H913	R813-K815 VanDerWaalsContact C-N 3.26Å; R813-K815 PolarHBondContact O-N 3.29Å; K815-H817 PolarHBondContact O-N 3.27Å; K815-N818 WeakPolarHBondContact O-CA 3.49Å; K815-N818 VanDerWaalsContact O-CB 3.3Å; K815-N818 WeakPolarHBondContact O-CB 3.42Å; K815-N818 PolarHBondContact O-N 3.17Å; K815-V819 PolarHBondContact O-N 3.48Å; K815-H913 PolarHBondContact NZ-CD2 3.14Å; K815-H913 VanDerWaalsContact NZ-CG 3.27Å; K815-H913 PolarHBondContact NZ-ND1 3.04Å; K815-H913 PolarHBondContact NZ-NE2 3.13Å
816	W	25.4	Very low	24.7	Very low	181 Å²	181	101.7 Å²	101.7	69%	0.686	52%	0.521	S	S	*	.	H	α-helix	trans	-57.1	-30.7	-169.3	-137	101	0	0	0	114.5	N818 V819 F820	W816-N818 PolarHBondContact O-N 2.91Å; W816-V819 WeakPolarHBondContact O-CB 3.47Å; W816-V819 PolarHBondContact O-N 3.4Å; W816-V819 VanDerWaalsContact O-N 3.1Å; W816-F820 HydrophobicContact CZ3-CD2 4.04Å
817	H	28.8	Very low	24.8	Very low	115 Å²	115	101.5 Å²	101.5	53%	0.532	51%	0.509	S	S	.	.	H	α-helix	trans	-66.7	-20.8	173.4	52.5	-103.5	0	0	0	114.3	K815	K815-H817 PolarHBondContact O-N 3.27Å
818	N	25	Very low	25	Very low	72 Å²	72	99.7 Å²	99.7	39%	0.385	50%	0.497	S	S	.	.	H	α-helix	trans	-82.5	-26.2	171.4	-60.1	-18.5	0	0	0	112	K815 W816 F820 F821 G822	K815-N818 WeakPolarHBondContact O-CA 3.49Å; K815-N818 VanDerWaalsContact O-CB 3.3Å; K815-N818 WeakPolarHBondContact O-CB 3.42Å; K815-N818 PolarHBondContact O-N 3.17Å; W816-N818 PolarHBondContact O-N 2.91Å; N818-F820 VanDerWaalsContact C-N 3.27Å; N818-F820 PolarHBondContact O-N 3.02Å; N818-F821 PolarHBondContact O-N 3.16Å; N818-G822 PolarHBondContact O-N 3.1Å
819	V	24.8	Very low	25.3	Very low	64 Å²	64	98.6 Å²	98.6	39%	0.388	49%	0.491	S	S	.	.	H	α-helix	trans	-64.1	-33.6	-178.1	178.9	0	0	0	0	111.4	K815 W816 F821 G822	K815-V819 PolarHBondContact O-N 3.48Å; W816-V819 WeakPolarHBondContact O-CB 3.47Å; W816-V819 PolarHBondContact O-N 3.4Å; W816-V819 VanDerWaalsContact O-N 3.1Å; V819-F821 PolarHBondContact O-N 3.42Å; V819-G822 PolarHBondContact O-N 3.13Å
820	F	22.1	Very low	25.6	Very low	141 Å²	141	91.5 Å²	91.5	62%	0.618	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-24	-177.7	-141.6	-94.2	0	0	0	114.2	W816 N818	W816-F820 HydrophobicContact CZ3-CD2 4.04Å; N818-F820 VanDerWaalsContact C-N 3.27Å; N818-F820 PolarHBondContact O-N 3.02Å
821	F	23.2	Very low	25.9	Very low	165 Å²	165	93.5 Å²	93.5	72%	0.724	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-15.4	177.1	-69	-75	0	0	0	113.6	N818 V819 L823 T824	N818-F821 PolarHBondContact O-N 3.16Å; V819-F821 PolarHBondContact O-N 3.42Å; F821-L823 PolarHBondContact O-N 3.24Å; F821-T824 PolarHBondContact O-OG1 3.26Å
822	G	21.9	Very low	26.1	Very low	39 Å²	39	94.1 Å²	94.1	40%	0.402	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-7	171.6	0	0	0	0	0	115.1	N818 V819 T824	N818-G822 PolarHBondContact O-N 3.1Å; V819-G822 PolarHBondContact O-N 3.13Å; G822-T824 PolarHBondContact O-N 3.4Å
823	L	22	Very low	26.1	Very low	136 Å²	136	93.2 Å²	93.2	71%	0.712	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	3.6	176.9	-76.6	163.8	0	0	0	113.9	F821	F821-L823 PolarHBondContact O-N 3.24Å
824	T	22.1	Very low	26.3	Very low	78 Å²	78	93.1 Å²	93.1	48%	0.479	47%	0.466	S	S	.	.	S	Bend	trans	-97.1	144.4	170.2	9.4	0	0	0	0	110.9	V733 F821 G822 H826	V733-T824 HydrophobicContact CG1-CG2 4.32Å; F821-T824 PolarHBondContact O-OG1 3.26Å; G822-T824 PolarHBondContact O-N 3.4Å; T824-H826 PolarHBondContact O-N 3.47Å
825	P	23	Very low	26.5	Very low	43 Å²	43	98.8 Å²	98.8	28%	0.279	48%	0.48	S	S	.	.				-94.4	93.5	-129.7	34.2	-38.5	0	0	0	116	V733 Y827 E828	V733-P825 HydrophobicContact CG1-CG 4.14Å; P825-Y827 PolarHBondContact O-N 2.77Å; P825-Y827 VanDerWaalsContact O-N 3.16Å; P825-E828 HydrophobicContact CB-CB 4.22Å; P825-E828 HydrophobicContact CB-CG 3.9Å; P825-E828 HydrophobicContact CG-CB 4.15Å; P825-E828 HydrophobicContact CG-CG 3.9Å; P825-E828 WeakPolarHBondContact CG-OE2 3.3Å; P825-E828 PolarHBondContact O-N 2.95Å; P825-E828 VanDerWaalsContact O-N 3.12Å
826	H	23.4	Very low	26.5	Very low	116 Å²	116	101.1 Å²	101.1	54%	0.537	49%	0.494	S	S	.	.	H	α-helix	trans	-60.2	-20.1	164.7	-79	-81.3	0	0	0	114	L808 T824 I829 K830	L808-H826 HydrophobicContact CD2-CB 4.15Å; T824-H826 PolarHBondContact O-N 3.47Å; H826-I829 WeakPolarHBondContact O-CB 3.16Å; H826-I829 PolarHBondContact O-N 2.81Å; H826-K830 PolarHBondContact O-N 2.98Å
827	Y	26.8	Very low	26.6	Very low	102 Å²	102	95.5 Å²	95.5	40%	0.4	49%	0.492	S	S	.	.	H	α-helix	trans	-70.6	-30.7	174.2	-107.5	-90.6	0	0	0	113.5	S805 V806 P825 I829 K830 I831	S805-Y827 PolarHBondContact O-OH 2.94Å; V806-Y827 HydrophobicContact CB-CE2 4.4Å; V806-Y827 HydrophobicContact CG1-CE2 4.18Å; V806-Y827 HydrophobicContact CG2-CE2 4.4Å; P825-Y827 PolarHBondContact O-N 2.77Å; P825-Y827 VanDerWaalsContact O-N 3.16Å; Y827-I829 VanDerWaalsContact C-N 3.27Å; Y827-I829 PolarHBondContact O-N 3.04Å; Y827-K830 PolarHBondContact O-N 3.28Å; Y827-I831 WeakPolarHBondContact O-CB 3.14Å; Y827-I831 WeakPolarHBondContact O-CG1 3.1Å; Y827-I831 PolarHBondContact O-N 2.83Å
828	E	26.7	Very low	26.7	Very low	97 Å²	97	95.3 Å²	95.3	45%	0.453	49%	0.494	S	S	.	.	H	α-helix	trans	-65.3	-36.9	171.7	-73.3	177.4	179	0	0	110	P825 L832	P825-E828 HydrophobicContact CB-CB 4.22Å; P825-E828 HydrophobicContact CB-CG 3.9Å; P825-E828 HydrophobicContact CG-CB 4.15Å; P825-E828 HydrophobicContact CG-CG 3.9Å; P825-E828 WeakPolarHBondContact CG-OE2 3.3Å; P825-E828 PolarHBondContact O-N 2.95Å; P825-E828 VanDerWaalsContact O-N 3.12Å; E828-L832 WeakPolarHBondContact O-CB 3.49Å; E828-L832 PolarHBondContact O-N 3.41Å
829	I	28.8	Very low	26.9	Very low	90 Å²	90	97.2 Å²	97.2	46%	0.462	50%	0.496	S	S	.	.	H	α-helix	trans	-64.9	-47.4	171.9	-60.3	174	0	0	0	111.2	H826 Y827 I831 L832 L833	H826-I829 WeakPolarHBondContact O-CB 3.16Å; H826-I829 PolarHBondContact O-N 2.81Å; Y827-I829 VanDerWaalsContact C-N 3.27Å; Y827-I829 PolarHBondContact O-N 3.04Å; I829-I831 VanDerWaalsContact C-N 3.33Å; I829-I831 PolarHBondContact O-N 2.98Å; I829-L832 CarbonylContact O-C 3.53Å; I829-L832 WeakPolarHBondContact O-CA 3.29Å; I829-L832 VanDerWaalsContact O-CB 3.29Å; I829-L832 WeakPolarHBondContact O-CB 3.41Å; I829-L832 PolarHBondContact O-N 2.89Å; I829-L833 HydrophobicContact CG2-CD1 3.97Å; I829-L833 HydrophobicContact CG2-CG 4.1Å; I829-L833 VanDerWaalsContact O-CG 3.28Å; I829-L833 WeakPolarHBondContact O-CG 2.87Å; I829-L833 PolarHBondContact O-N 2.85Å
830	K	29.3	Very low	27.4	Very low	81 Å²	81	97.8 Å²	97.8	35%	0.352	50%	0.503	S	S	.	.	H	α-helix	trans	-62.7	-39.4	178.6	-166.6	-175.5	177.3	-166.8	0	112.3	H826 Y827 L832 L833 M834	H826-K830 PolarHBondContact O-N 2.98Å; Y827-K830 PolarHBondContact O-N 3.28Å; K830-L832 VanDerWaalsContact C-N 3.32Å; K830-L833 PolarHBondContact O-N 3.32Å; K830-M834 PolarHBondContact O-N 2.9Å
831	I	31.3	Very low	28.2	Very low	92 Å²	92	97.6 Å²	97.6	47%	0.472	51%	0.508	S	S	.	.	H	α-helix	trans	-66.5	-35.8	173.3	-68.1	170.1	0	0	0	110.8	Y827 I829 K835	Y827-I831 WeakPolarHBondContact O-CB 3.14Å; Y827-I831 WeakPolarHBondContact O-CG1 3.1Å; Y827-I831 PolarHBondContact O-N 2.83Å; I829-I831 VanDerWaalsContact C-N 3.33Å; I829-I831 PolarHBondContact O-N 2.98Å; I831-K835 HydrophobicContact CG2-CD 4.28Å; I831-K835 HydrophobicContact CG2-CG 4.49Å; I831-K835 VanDerWaalsContact O-CB 3.27Å; I831-K835 WeakPolarHBondContact O-CB 3.15Å; I831-K835 VanDerWaalsContact O-CG 3.32Å; I831-K835 WeakPolarHBondContact O-CG 3.46Å; I831-K835 PolarHBondContact O-N 2.93Å
832	L	30.1	Very low	29	Very low	105 Å²	105	95.5 Å²	95.5	55%	0.55	51%	0.505	S	S	.	.	H	α-helix	trans	-61.3	-50	170.3	-138.7	78.1	0	0	0	110.2	E828 I829 K830 M834 K835 L836	E828-L832 WeakPolarHBondContact O-CB 3.49Å; E828-L832 PolarHBondContact O-N 3.41Å; I829-L832 CarbonylContact O-C 3.53Å; I829-L832 WeakPolarHBondContact O-CA 3.29Å; I829-L832 VanDerWaalsContact O-CB 3.29Å; I829-L832 WeakPolarHBondContact O-CB 3.41Å; I829-L832 PolarHBondContact O-N 2.89Å; K830-L832 VanDerWaalsContact C-N 3.32Å; L832-M834 PolarHBondContact O-N 2.66Å; L832-K835 CarbonylContact O-C 3.54Å; L832-K835 PolarHBondContact O-N 3.2Å; L832-K835 VanDerWaalsContact O-N 3.12Å; L832-L836 HydrophobicContact CB-CD1 4.27Å; L832-L836 HydrophobicContact CD2-CD1 3.97Å; L832-L836 HydrophobicContact CG-CD1 3.88Å; L832-L836 HydrophobicContact CG-CG 4.42Å; L832-L836 WeakPolarHBondContact O-CB 3.48Å; L832-L836 WeakPolarHBondContact O-CD1 3.35Å; L832-L836 WeakPolarHBondContact O-CG 3.45Å; L832-L836 PolarHBondContact O-N 3.36Å
833	L	30.3	Very low	29.5	Very low	51 Å²	51	96.6 Å²	96.6	27%	0.267	52%	0.516	S	S	.	.	H	α-helix	trans	-61.9	-41.1	-178.3	-66.2	174.4	0	0	0	112.4	I829 K830 L836 G837 I838	I829-L833 HydrophobicContact CG2-CD1 3.97Å; I829-L833 HydrophobicContact CG2-CG 4.1Å; I829-L833 VanDerWaalsContact O-CG 3.28Å; I829-L833 WeakPolarHBondContact O-CG 2.87Å; I829-L833 PolarHBondContact O-N 2.85Å; K830-L833 PolarHBondContact O-N 3.32Å; L833-L836 CarbonylContact O-C 3.46Å; L833-L836 PolarHBondContact O-N 3.23Å; L833-G837 PolarHBondContact O-N 3.43Å; L833-G837 VanDerWaalsContact O-N 3.12Å; L833-I838 HydrophobicContact CB-CB 4.31Å; L833-I838 HydrophobicContact CD2-CB 4.06Å; L833-I838 HydrophobicContact CD2-CD1 3.6Å; L833-I838 HydrophobicContact CD2-CG1 4.43Å; L833-I838 HydrophobicContact CD2-CG2 3.95Å; L833-I838 PolarHBondContact O-N 3.44Å
834	M	32.1	Very low	29.6	Very low	72 Å²	72	100.5 Å²	100.5	36%	0.355	52%	0.521	S	S	.	.	H	α-helix	trans	-67.2	-40.5	171.7	-79.5	176.4	130.4	0	0	112.1	K830 L832 L836 G837 W839 D841	K830-M834 PolarHBondContact O-N 2.9Å; L832-M834 PolarHBondContact O-N 2.66Å; M834-L836 VanDerWaalsContact C-N 3.29Å; M834-L836 PolarHBondContact O-N 3.21Å; M834-G837 PolarHBondContact O-N 3.42Å; M834-G837 VanDerWaalsContact O-N 3.15Å; M834-W839 HydrophobicContact CG-CB 3.94Å; M834-W839 HydrophobicContact CG-CG 4.29Å; M834-D841 WeakPolarHBondContact CE-OD1 3.23Å
835	K	31.7	Very low	30	Very low	177 Å²	177	107.2 Å²	107.2	77%	0.77	54%	0.538	S	S	*	.	H	α-helix	trans	-69.7	-23.5	173.7	-77.2	-172.3	172.9	-168.7	0	114.2	I831 L832 G837	I831-K835 HydrophobicContact CG2-CD 4.28Å; I831-K835 HydrophobicContact CG2-CG 4.49Å; I831-K835 VanDerWaalsContact O-CB 3.27Å; I831-K835 WeakPolarHBondContact O-CB 3.15Å; I831-K835 VanDerWaalsContact O-CG 3.32Å; I831-K835 WeakPolarHBondContact O-CG 3.46Å; I831-K835 PolarHBondContact O-N 2.93Å; L832-K835 CarbonylContact O-C 3.54Å; L832-K835 PolarHBondContact O-N 3.2Å; L832-K835 VanDerWaalsContact O-N 3.12Å; K835-G837 VanDerWaalsContact C-N 3.31Å
836	L	28.8	Very low	30.5	Very low	107 Å²	107	110.3 Å²	110.3	56%	0.56	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	0.8	173.7	-69.5	167.2	0	0	0	111.6	L832 L833 M834 I838	L832-L836 HydrophobicContact CB-CD1 4.27Å; L832-L836 HydrophobicContact CD2-CD1 3.97Å; L832-L836 HydrophobicContact CG-CD1 3.88Å; L832-L836 HydrophobicContact CG-CG 4.42Å; L832-L836 WeakPolarHBondContact O-CB 3.48Å; L832-L836 WeakPolarHBondContact O-CD1 3.35Å; L832-L836 WeakPolarHBondContact O-CG 3.45Å; L832-L836 PolarHBondContact O-N 3.36Å; L833-L836 CarbonylContact O-C 3.46Å; L833-L836 PolarHBondContact O-N 3.23Å; M834-L836 VanDerWaalsContact C-N 3.29Å; M834-L836 PolarHBondContact O-N 3.21Å; L836-I838 HydrophobicContact CB-CD1 3.65Å; L836-I838 HydrophobicContact CB-CG1 3.97Å; L836-I838 HydrophobicContact CD1-CD1 3.96Å; L836-I838 HydrophobicContact CG-CD1 4.43Å; L836-I838 PolarHBondContact O-N 3.11Å; L836-I838 VanDerWaalsContact O-N 3.16Å
837	G	26.8	Very low	30.5	Very low	62 Å²	62	113.9 Å²	113.9	64%	0.639	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.3	9.4	-179.6	0	0	0	0	0	115.1	L833 M834 K835 W839	L833-G837 PolarHBondContact O-N 3.43Å; L833-G837 VanDerWaalsContact O-N 3.12Å; M834-G837 PolarHBondContact O-N 3.42Å; M834-G837 VanDerWaalsContact O-N 3.15Å; K835-G837 VanDerWaalsContact C-N 3.31Å; G837-W839 PolarHBondContact O-N 3.39Å
838	I	31.2	Very low	30.5	Very low	112 Å²	112	114.5 Å²	114.5	57%	0.574	58%	0.577	S	S	*	*	S	Bend	trans	-73.5	-8.2	-179.8	-61.3	163.7	0	0	0	111.1	L833 L836	L833-I838 HydrophobicContact CB-CB 4.31Å; L833-I838 HydrophobicContact CD2-CB 4.06Å; L833-I838 HydrophobicContact CD2-CD1 3.6Å; L833-I838 HydrophobicContact CD2-CG1 4.43Å; L833-I838 HydrophobicContact CD2-CG2 3.95Å; L833-I838 PolarHBondContact O-N 3.44Å; L836-I838 HydrophobicContact CB-CD1 3.65Å; L836-I838 HydrophobicContact CB-CG1 3.97Å; L836-I838 HydrophobicContact CD1-CD1 3.96Å; L836-I838 HydrophobicContact CG-CD1 4.43Å; L836-I838 PolarHBondContact O-N 3.11Å; L836-I838 VanDerWaalsContact O-N 3.16Å
839	W	28.7	Very low	30.5	Very low	112 Å²	112	117.7 Å²	117.7	42%	0.424	60%	0.597	S	S	.	*			trans	-138.9	109.7	-179.5	-162.8	-62.4	0	0	0	109.7	M834 G837	M834-W839 HydrophobicContact CG-CB 3.94Å; M834-W839 HydrophobicContact CG-CG 4.29Å; G837-W839 PolarHBondContact O-N 3.39Å
840	S	35.1	Very low	30.3	Very low	76 Å²	76	117.7 Å²	117.7	53%	0.531	60%	0.604	S	S	.	*			trans	-99.3	149	165.1	73.4	0	0	0	0	110	D842	S840-D842 VanDerWaalsContact C-N 3.26Å; S840-D842 WeakPolarHBondContact CB-OD1 3.47Å; S840-D842 PolarHBondContact O-N 3.15Å; S840-D842 PolarHBondContact OG-OD1 3.28Å
841	D	39.4	Very low	29.9	Very low	137 Å²	137	119 Å²	119	73%	0.733	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-15.9	-170.5	-71.8	-46.9	0	0	0	113.7	M834 G843	M834-D841 WeakPolarHBondContact CE-OD1 3.23Å; D841-G843 VanDerWaalsContact C-N 3.28Å; D841-G843 PolarHBondContact O-N 3.3Å
842	D	40.1	Very low	29.5	Very low	121 Å²	121	121.3 Å²	121.3	65%	0.647	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	13.4	-179.5	51.2	-14.4	0	0	0	114.4	S840 W844	S840-D842 VanDerWaalsContact C-N 3.26Å; S840-D842 WeakPolarHBondContact CB-OD1 3.47Å; S840-D842 PolarHBondContact O-N 3.15Å; S840-D842 PolarHBondContact OG-OD1 3.28Å; D842-W844 VanDerWaalsContact C-N 3.32Å; D842-W844 VanDerWaalsContact O-CD1 3.25Å; D842-W844 PolarHBondContact O-N 2.78Å
843	G	32.1	Very low	29.2	Very low	62 Å²	62	126.6 Å²	126.6	64%	0.639	65%	0.651	S	S	*	*			trans	68.3	-2.6	139.3	0	0	0	0	0	120.8	D841	D841-G843 VanDerWaalsContact C-N 3.28Å; D841-G843 PolarHBondContact O-N 3.3Å
844	W	25	Very low	28.9	Very low	217 Å²	217	131.4 Å²	131.4	82%	0.822	67%	0.672	S	S	*	*			trans	-117.3	80.3	-168.3	-78.2	71.7	0	0	0	115.2	D842	D842-W844 VanDerWaalsContact C-N 3.32Å; D842-W844 VanDerWaalsContact O-CD1 3.25Å; D842-W844 PolarHBondContact O-N 2.78Å
845	W	30.3	Very low	28.4	Very low	219 Å²	219	134.9 Å²	134.9	83%	0.83	69%	0.687	S	S	*	*			trans	-155.5	160	160.6	-124.3	26.7	0	0	0	110.6
846	P	32.4	Very low	28	Very low	109 Å²	109	134.5 Å²	134.5	71%	0.708	69%	0.688	S	S	*	*			cis	-97.9	120.8	15.5	35.1	-29.6	0	0	0	113.5	D848	P846-D848 PolarHBondContact O-N 2.66Å
847	R	23.8	Very low	27.8	Very low	191 Å²	191	133.2 Å²	133.2	72%	0.721	70%	0.7	S	S	*	*			trans	-82.7	106.8	161.6	-72.3	-172.1	179.2	-165.6	1.8	108
848	D	27.4	Very low	27.6	Very low	114 Å²	114	137.5 Å²	137.5	61%	0.61	71%	0.707	S	S	*	*			trans	51.6	99.4	157.4	-146.3	-39.8	0	0	0	117.7	P846 S850	P846-D848 PolarHBondContact O-N 2.66Å; D848-S850 PolarHBondContact O-N 2.99Å; D848-S850 VanDerWaalsContact OD1-CB 3.29Å; D848-S850 WeakPolarHBondContact OD1-CB 3.28Å; D848-S850 PolarHBondContact OD1-N 2.82Å; D848-S850 PolarHBondContact OD1-OG 3.1Å
849	L	26.9	Very low	27.1	Very low	165 Å²	165	140.7 Å²	140.7	86%	0.864	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	0.4	179.7	-76.4	159.9	0	0	0	115.1
850	S	23.8	Very low	26.9	Very low	89 Å²	89	142.2 Å²	142.2	62%	0.622	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-12.7	-170.5	58.6	0	0	0	0	115.5	D848	D848-S850 PolarHBondContact O-N 2.99Å; D848-S850 VanDerWaalsContact OD1-CB 3.29Å; D848-S850 WeakPolarHBondContact OD1-CB 3.28Å; D848-S850 PolarHBondContact OD1-N 2.82Å; D848-S850 PolarHBondContact OD1-OG 3.1Å
851	T	21.6	Very low	26.3	Very low	110 Å²	110	145.9 Å²	145.9	68%	0.675	75%	0.748	S	S	*	*	S	Bend	trans	-135.5	81.5	-173.1	47.4	0	0	0	0	113.1
852	L	22.9	Very low	25.7	Very low	140 Å²	140	144.2 Å²	144.2	73%	0.733	75%	0.747	S	S	*	*			trans	154.2	56	152.7	-83.6	158.3	0	0	0	112.5	Q855	L852-Q855 VanDerWaalsContact CD2-O 3.22Å; L852-Q855 WeakPolarHBondContact CD2-O 3.48Å
853	F	23.8	Very low	24.9	Very low	215 Å²	215	141.5 Å²	141.5	94%	0.943	75%	0.748	S	S	*	*	S	Bend	trans	-84.3	-2.8	149.3	-108.4	-71.2	0	0	0	112.2
854	E	22.9	Very low	24.6	Very low	153 Å²	153	146.4 Å²	146.4	72%	0.715	76%	0.76	S	S	*	*	S	Bend	trans	-126.9	109.8	-175.4	-65	-165.5	159.6	0	0	112.4
855	Q	22.6	Very low	24.7	Very low	144 Å²	144	143.4 Å²	143.4	67%	0.673	76%	0.759	S	S	*	*	S	Bend	trans	78.1	145.1	158.2	-51	173	17.9	0	0	116.9	L852	L852-Q855 VanDerWaalsContact CD2-O 3.22Å; L852-Q855 WeakPolarHBondContact CD2-O 3.48Å
856	H	21.9	Very low	24.5	Very low	169 Å²	169	138.6 Å²	138.6	78%	0.782	76%	0.757	S	S	*	*			trans	78	55.9	-178.7	-45.1	88.3	0	0	0	116
857	G	24.4	Very low	24.1	Very low	80 Å²	80	138.7 Å²	138.7	83%	0.825	75%	0.751	S	S	*	*			trans	-63.7	134.1	160.3	0	0	0	0	0	111.5	Q859	G857-Q859 PolarHBondContact O-N 3.04Å
858	I	23.5	Very low	24.1	Very low	152 Å²	152	135.8 Å²	135.8	78%	0.779	75%	0.75	S	S	*	*			trans	-77	121.7	176.8	-63.2	175.4	0	0	0	109.2	I860	I858-I860 HydrophobicContact CG2-CG1 4.05Å; I858-I860 PolarHBondContact O-N 3.05Å
859	Q	20.7	Very low	24	Very low	179 Å²	179	138.8 Å²	138.8	84%	0.836	76%	0.76	S	S	*	*			trans	-70.9	110.3	172.7	-179.2	-179.3	0.4	0	0	109.7	G857	G857-Q859 PolarHBondContact O-N 3.04Å
860	I	24.4	Very low	23.8	Very low	144 Å²	144	138.4 Å²	138.4	74%	0.738	76%	0.756	S	S	*	*			trans	-113.5	114	168.5	-57.3	-177.3	0	0	0	108.2	I858 S862	I858-I860 HydrophobicContact CG2-CG1 4.05Å; I858-I860 PolarHBondContact O-N 3.05Å; I860-S862 PolarHBondContact O-N 3.41Å
861	D	22.8	Very low	23.9	Very low	153 Å²	153	138.7 Å²	138.7	82%	0.818	75%	0.747	S	S	*	*			trans	-84.7	90.1	-173.1	-165.7	8.2	0	0	0	111.3
862	S	26.3	Very low	24.1	Very low	102 Å²	102	137.8 Å²	137.8	71%	0.713	74%	0.741	S	S	*	*	S	Bend	trans	-156.2	86.6	159.7	68.9	0	0	0	0	113	I860	I860-S862 PolarHBondContact O-N 3.41Å
863	G	24.3	Very low	24.2	Very low	65 Å²	65	133.3 Å²	133.3	67%	0.67	73%	0.729	S	S	*	*			trans	61.5	68.6	147.4	0	0	0	0	0	118.8	L865	G863-L865 PolarHBondContact O-N 3.42Å
864	N	25.2	Very low	24.2	Very low	165 Å²	165	130 Å²	130	88%	0.882	72%	0.717	S	S	*	*			trans	37.3	78.9	142.8	-63.3	-17.1	0	0	0	118.3
865	L	26	Very low	24.2	Very low	154 Å²	154	127.2 Å²	127.2	81%	0.806	71%	0.714	S	S	*	*			trans	-152.9	104.7	152.3	-108.1	165.7	0	0	0	110.7	G863 L867	G863-L865 PolarHBondContact O-N 3.42Å; L865-L867 HydrophobicContact CD2-CD2 3.94Å
866	C	26.4	Very low	24.4	Very low	117 Å²	117	127.1 Å²	127.1	79%	0.791	72%	0.717	S	S	*	*			trans	-94.4	123.6	174.2	-165.9	0	0	0	0	108.4
867	L	24.5	Very low	24.5	Very low	111 Å²	111	123.2 Å²	123.2	58%	0.581	71%	0.709	S	S	*	*			trans	-106.5	118.2	-175.4	-57.9	-178.3	0	0	0	110.1	L865 Q871	L865-L867 HydrophobicContact CD2-CD2 3.94Å; L867-Q871 VanDerWaalsContact CD2-OE1 3.32Å
868	L	24.6	Very low	24.5	Very low	131 Å²	131	123.4 Å²	123.4	69%	0.686	70%	0.702	S	S	*	*			trans	-84.6	157.9	-178.9	-68.3	168.3	0	0	0	111.7	M870 Q871	L868-M870 PolarHBondContact O-N 3.16Å; L868-Q871 PolarHBondContact O-N 3.31Å
869	E	24.9	Very low	24.5	Very low	176 Å²	176	125.5 Å²	125.5	82%	0.822	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.3	-27.6	-172.5	-165.6	172.4	-169.1	0	0	115.3	Q871 V872 G873	E869-Q871 PolarHBondContact O-N 3.1Å; E869-Q871 VanDerWaalsContact O-N 3.14Å; E869-V872 WeakPolarHBondContact O-CB 3.38Å; E869-V872 PolarHBondContact O-N 3.46Å; E869-G873 PolarHBondContact O-N 3.37Å
870	M	23.2	Very low	24.7	Very low	157 Å²	157	123.9 Å²	123.9	77%	0.773	70%	0.698	S	S	*	*	H	α-helix	trans	-53.7	-32.1	175.1	-61.2	-162.6	-58.4	0	0	114	L868 V872 G873 E874	L868-M870 PolarHBondContact O-N 3.16Å; M870-V872 VanDerWaalsContact C-N 3.34Å; M870-V872 PolarHBondContact O-N 3.32Å; M870-G873 PolarHBondContact O-N 3.48Å; M870-G873 VanDerWaalsContact O-N 3.17Å; M870-E874 PolarHBondContact O-N 2.78Å
871	Q	25.7	Very low	24.9	Very low	96 Å²	96	122.1 Å²	122.1	45%	0.449	70%	0.697	S	S	.	*	H	α-helix	trans	-76.4	-20	-179.4	-67.8	-169.1	-10.3	0	0	114	L867 L868 E869 G873 S875	L867-Q871 VanDerWaalsContact CD2-OE1 3.32Å; L868-Q871 PolarHBondContact O-N 3.31Å; E869-Q871 PolarHBondContact O-N 3.1Å; E869-Q871 VanDerWaalsContact O-N 3.14Å; Q871-G873 VanDerWaalsContact C-N 3.33Å; Q871-S875 PolarHBondContact O-N 3.15Å; Q871-S875 PolarHBondContact O-OG 3.49Å
872	V	25.8	Very low	25.2	Very low	91 Å²	91	120.5 Å²	120.5	55%	0.552	69%	0.692	S	S	*	*	H	α-helix	trans	-72.1	-34.9	168.6	-175.7	0	0	0	0	109.6	E869 M870 S875 L876	E869-V872 WeakPolarHBondContact O-CB 3.38Å; E869-V872 PolarHBondContact O-N 3.46Å; M870-V872 VanDerWaalsContact C-N 3.34Å; M870-V872 PolarHBondContact O-N 3.32Å; V872-S875 PolarHBondContact O-N 3.14Å; V872-L876 HydrophobicContact CG1-CD1 4.13Å; V872-L876 WeakPolarHBondContact O-CG 3.39Å; V872-L876 PolarHBondContact O-N 3.24Å
873	G	24.1	Very low	25.3	Very low	46 Å²	46	119.2 Å²	119.2	47%	0.474	68%	0.681	S	S	.	*	H	α-helix	trans	-60.7	-45.4	174.7	0	0	0	0	0	113.6	E869 M870 Q871 L876 S877	E869-G873 PolarHBondContact O-N 3.37Å; M870-G873 PolarHBondContact O-N 3.48Å; M870-G873 VanDerWaalsContact O-N 3.17Å; Q871-G873 VanDerWaalsContact C-N 3.33Å; G873-L876 PolarHBondContact O-N 3.45Å; G873-S877 PolarHBondContact O-N 3.3Å; G873-S877 VanDerWaalsContact O-N 3.1Å
874	E	23.1	Very low	25.7	Very low	146 Å²	146	124.2 Å²	124.2	68%	0.682	68%	0.68	S	S	*	*	H	α-helix	trans	-70.9	-36	177.8	-68.7	-168.6	140.5	0	0	113.3	M870 L876 S877	M870-E874 PolarHBondContact O-N 2.78Å; E874-L876 PolarHBondContact O-N 2.94Å; E874-S877 PolarHBondContact O-N 3.31Å; E874-S877 VanDerWaalsContact O-N 3.16Å; E874-S877 PolarHBondContact O-OG 3.01Å
875	S	24.7	Very low	25.8	Very low	93 Å²	93	117.2 Å²	117.2	65%	0.65	65%	0.645	S	S	*	*	H	α-helix	trans	-63.5	-27.5	175.9	-55.7	0	0	0	0	112.6	Q871 V872	Q871-S875 PolarHBondContact O-N 3.15Å; Q871-S875 PolarHBondContact O-OG 3.49Å; V872-S875 PolarHBondContact O-N 3.14Å
876	L	26.3	Very low	25.9	Very low	142 Å²	142	113.1 Å²	113.1	74%	0.743	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-5.2	177.8	-64.7	173.7	0	0	0	113.7	V872 G873 E874 A878	V872-L876 HydrophobicContact CG1-CD1 4.13Å; V872-L876 WeakPolarHBondContact O-CG 3.39Å; V872-L876 PolarHBondContact O-N 3.24Å; G873-L876 PolarHBondContact O-N 3.45Å; E874-L876 PolarHBondContact O-N 2.94Å; L876-A878 VanDerWaalsContact C-N 3.31Å
877	S	23.7	Very low	25.9	Very low	87 Å²	87	109 Å²	109	61%	0.608	59%	0.592	S	S	*	*			trans	-88	1.4	175	76.3	0	0	0	0	113.3	G873 E874 R879	G873-S877 PolarHBondContact O-N 3.3Å; G873-S877 VanDerWaalsContact O-N 3.1Å; E874-S877 PolarHBondContact O-N 3.31Å; E874-S877 VanDerWaalsContact O-N 3.16Å; E874-S877 PolarHBondContact O-OG 3.01Å; S877-R879 VanDerWaalsContact C-N 3.28Å; S877-R879 PolarHBondContact O-N 3.3Å
878	A	24.2	Very low	26.1	Very low	84 Å²	84	105.9 Å²	105.9	69%	0.694	57%	0.574	S	S	*	*	S	Bend	trans	-67.3	75.5	179.3	0	0	0	0	0	113.9	L876	L876-A878 VanDerWaalsContact C-N 3.31Å
879	R	23.9	Very low	26.2	Very low	197 Å²	197	104 Å²	104	74%	0.743	56%	0.561	S	S	*	*	S	Bend	trans	70.1	104.7	161.3	-67.4	178	166.5	178.7	-5.8	118.8	S877 C881	S877-R879 VanDerWaalsContact C-N 3.28Å; S877-R879 PolarHBondContact O-N 3.3Å; R879-C881 PolarHBondContact O-N 2.98Å
880	N	24.5	Very low	26.3	Very low	145 Å²	145	98.3 Å²	98.3	78%	0.775	53%	0.533	S	S	*	.	S	Bend	trans	74.5	2.1	130.7	-66	5.2	0	0	0	122.9
881	C	28.8	Very low	26.8	Very low	107 Å²	107	94.1 Å²	94.1	72%	0.723	51%	0.514	S	S	*	.			trans	-126.3	11.1	-171.9	-67.3	0	0	0	0	119.3	R879	R879-C881 PolarHBondContact O-N 2.98Å
882	V	29.7	Very low	27.4	Very low	118 Å²	118	97.6 Å²	97.6	72%	0.715	54%	0.535	S	S	*	.			trans	-125.7	95.4	-176.8	-168.6	0	0	0	0	113.5
883	P	28.4	Very low	27.6	Very low	75 Å²	75	101.4 Å²	101.4	49%	0.487	55%	0.547	S	S	.	.			trans	-68.3	141.3	168.7	-16.7	31.5	0	0	0	111.7	C946	P883-C946 HydrophobicContact CB-CB 4.49Å
884	R	31.7	Very low	27.8	Very low	171 Å²	171	103.4 Å²	103.4	65%	0.645	56%	0.559	S	S	*	*			trans	-115.8	119.8	179.8	-58.5	177.5	-175.7	-176	0.2	109.8	H943	R884-H943 HydrophobicContact CB-CB 3.98Å; R884-H943 WeakPolarHBondContact O-CB 3.46Å; R884-H943 PolarHBondContact O-N 3.2Å; R884-H943 VanDerWaalsContact O-N 3.08Å
885	A	27.6	Very low	27.9	Very low	17 Å²	17	104.1 Å²	104.1	14%	0.14	56%	0.56	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-144.6	141.1	173.9	0	0	0	0	0	110.8	F887 V942 P948	A885-F887 HydrophobicContact CB-CE2 4.25Å; A885-V942 HydrophobicContact CB-CG1 4.08Å; A885-P948 HydrophobicContact CB-CG 4.26Å
886	I	28.5	Very low	28	Very low	69 Å²	69	106 Å²	106	35%	0.354	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.3	137.2	178.7	-58.8	176.3	0	0	0	107.8	F888 A901 L941	I886-F888 HydrophobicContact CB-CE2 4.34Å; I886-F888 HydrophobicContact CG2-CD2 4.48Å; I886-F888 HydrophobicContact CG2-CE1 4.47Å; I886-F888 HydrophobicContact CG2-CE2 3.78Å; I886-F888 HydrophobicContact CG2-CZ 3.79Å; I886-A901 HydrophobicContact CG2-CB 4.38Å; I886-L941 PolarHBondContact N-O 3.46Å; I886-L941 WeakPolarHBondContact O-CA 3.39Å; I886-L941 WeakPolarHBondContact O-CB 3.39Å; I886-L941 PolarHBondContact O-N 3.01Å
887	F	27	Very low	28	Very low	29 Å²	29	105 Å²	105	13%	0.127	55%	0.548	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	143.2	-175.9	-67	-112.1	0	0	0	110.3	A885 F904 G939 V940 F950	A885-F887 HydrophobicContact CB-CE2 4.25Å; F887-F904 HydrophobicContact CD2-CD2 4.25Å; F887-G939 WeakPolarHBondContact CA-O 3.39Å; F887-V940 HydrophobicContact CD1-CB 4.24Å; F887-V940 HydrophobicContact CD1-CG1 4.04Å; F887-V940 HydrophobicContact CD1-CG2 3.53Å; F887-V940 HydrophobicContact CD2-CG1 4.37Å; F887-V940 HydrophobicContact CE1-CB 4.12Å; F887-V940 HydrophobicContact CE1-CG1 3.69Å; F887-V940 HydrophobicContact CE1-CG2 3.32Å; F887-V940 HydrophobicContact CE2-CG1 4.03Å; F887-V940 HydrophobicContact CG-CG1 4.36Å; F887-V940 HydrophobicContact CG-CG2 4.5Å; F887-V940 HydrophobicContact CZ-CG1 3.67Å; F887-V940 HydrophobicContact CZ-CG2 4.15Å; F887-F950 HydrophobicContact CZ-CZ 4.15Å
888	F	27.2	Very low	28.1	Very low	47 Å²	47	106 Å²	106	21%	0.206	55%	0.552	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.8	147	179.8	-64.2	-83.2	0	0	0	111.2	I886 A901 F938 G939 L941	I886-F888 HydrophobicContact CB-CE2 4.34Å; I886-F888 HydrophobicContact CG2-CD2 4.48Å; I886-F888 HydrophobicContact CG2-CE1 4.47Å; I886-F888 HydrophobicContact CG2-CE2 3.78Å; I886-F888 HydrophobicContact CG2-CZ 3.79Å; F888-A901 HydrophobicContact CD1-CB 4.19Å; F888-A901 HydrophobicContact CE1-CB 3.61Å; F888-A901 HydrophobicContact CZ-CB 4.29Å; F888-F938 CarbonylContact O-C 3.44Å; F888-F938 WeakPolarHBondContact O-CA 3.33Å; F888-G939 PolarHBondContact N-O 3.13Å; F888-G939 PolarHBondContact O-N 3.02Å; F888-L941 HydrophobicContact CD2-CB 3.96Å; F888-L941 HydrophobicContact CD2-CD1 4.37Å; F888-L941 HydrophobicContact CE2-CB 3.76Å; F888-L941 HydrophobicContact CE2-CD1 3.97Å; F888-L941 HydrophobicContact CE2-CG 4.37Å
889	H	27.2	Very low	28.2	Very low	90 Å²	90	109 Å²	109	42%	0.417	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.4	175.9	-174.2	-76	0	0	0	110.6	F938	H889-F938 HydrophobicContact CB-CD1 4.33Å; H889-F938 HydrophobicContact CB-CE1 4.43Å; H889-F938 AromaticContact CD2-CE1 3.85Å
890	Y	27.5	Very low	28.3	Very low	57 Å²	57	106.4 Å²	106.4	22%	0.224	55%	0.546	C	S	.	.	P	Polyproline II helix	trans	-88.9	136.2	171.8	-64.7	-72.8	0	0	0	110.9	W896	Y890-W896 HydrophobicContact CE1-CD2 4Å; Y890-W896 AromaticContact CE1-CE2 3.9Å; Y890-W896 AromaticContact CE1-CE3 3.88Å; Y890-W896 HydrophobicContact CE1-CE3 3.88Å; Y890-W896 AromaticContact CE1-CH2 3.66Å; Y890-W896 HydrophobicContact CE1-CH2 3.66Å; Y890-W896 AromaticContact CE1-CZ2 3.75Å; Y890-W896 HydrophobicContact CE1-CZ2 3.75Å; Y890-W896 AromaticContact CE1-CZ3 3.71Å; Y890-W896 HydrophobicContact CE1-CZ3 3.71Å; Y890-W896 AromaticContact CZ-CH2 3.76Å; Y890-W896 WeakPolarHBondContact OH-CH2 3.37Å
891	D	33.9	Very low	28.4	Very low	70 Å²	70	102.6 Å²	102.6	37%	0.374	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-85.6	149.6	162.4	-123.4	-49.7	0	0	0	109.3	Q893 A894 K899	D891-Q893 PolarHBondContact O-N 3.38Å; D891-A894 PolarHBondContact O-N 3.18Å; D891-K899 IonicContact OD2-NZ 2.76Å; D891-K899 PolarHBondContact OD2-NZ 3.03Å
892	D	37.3	Very low	28.3	Very low	168 Å²	168	101.1 Å²	101.1	90%	0.898	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-1.4	-165.3	-75.7	-35.1	0	0	0	116.4
893	Q	30.1	Very low	28.2	Very low	171 Å²	171	99.7 Å²	99.7	80%	0.799	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	17.5	-178.2	-59.9	-166.5	-0.3	0	0	114.4	D891 K895	D891-Q893 PolarHBondContact O-N 3.38Å; Q893-K895 PolarHBondContact O-N 3.31Å
894	A	28.1	Very low	28.1	Very low	89 Å²	89	100.2 Å²	100.2	74%	0.736	51%	0.514	S	S	*	.	S	Bend	trans	55.1	22.8	174.2	0	0	0	0	0	115.2	D891	D891-A894 PolarHBondContact O-N 3.18Å
895	K	25.4	Very low	27.8	Very low	160 Å²	160	95.2 Å²	95.2	70%	0.696	52%	0.516	S	S	*	.			trans	-104.5	127.8	170.1	-80.1	-174.6	174	-179.7	0	109.7	Q893 L897	Q893-K895 PolarHBondContact O-N 3.31Å; K895-L897 PolarHBondContact O-N 2.98Å
896	W	26.4	Very low	27.8	Very low	134 Å²	134	95.1 Å²	95.1	51%	0.508	52%	0.516	S	S	.	.			trans	-69.4	109.2	178.5	-61.8	82.5	0	0	0	110.4	Y890	Y890-W896 HydrophobicContact CE1-CD2 4Å; Y890-W896 AromaticContact CE1-CE2 3.9Å; Y890-W896 AromaticContact CE1-CE3 3.88Å; Y890-W896 HydrophobicContact CE1-CE3 3.88Å; Y890-W896 AromaticContact CE1-CH2 3.66Å; Y890-W896 HydrophobicContact CE1-CH2 3.66Å; Y890-W896 AromaticContact CE1-CZ2 3.75Å; Y890-W896 HydrophobicContact CE1-CZ2 3.75Å; Y890-W896 AromaticContact CE1-CZ3 3.71Å; Y890-W896 HydrophobicContact CE1-CZ3 3.71Å; Y890-W896 AromaticContact CZ-CH2 3.76Å; Y890-W896 WeakPolarHBondContact OH-CH2 3.37Å
897	L	26.6	Very low	27.7	Very low	121 Å²	121	94.5 Å²	94.5	63%	0.634	52%	0.517	S	S	*	.			trans	-126.4	112.3	169	-79.3	170.4	0	0	0	108.5	K895 K899	K895-L897 PolarHBondContact O-N 2.98Å; L897-K899 PolarHBondContact O-N 3.08Å
898	P	25.4	Very low	27.7	Very low	108 Å²	108	96.4 Å²	96.4	70%	0.701	52%	0.523	S	S	*	.			trans	-72.3	97.6	-178.8	29	-33.3	0	0	0	110.1
899	K	27.8	Very low	27.9	Very low	145 Å²	145	98.8 Å²	98.8	63%	0.63	54%	0.535	S	S	*	.	S	Bend	trans	-79.5	-44	170.1	-86.6	175.2	173.2	163.5	0	112.2	D891 L897	D891-K899 IonicContact OD2-NZ 2.76Å; D891-K899 PolarHBondContact OD2-NZ 3.03Å; L897-K899 PolarHBondContact O-N 3.08Å
900	E	25.4	Very low	28	Very low	144 Å²	144	98.6 Å²	98.6	67%	0.673	54%	0.537	S	S	*	.			trans	-146.8	144.8	175.4	-91.5	-179.7	133.6	0	0	109.7
901	A	25.7	Very low	28	Very low	65 Å²	65	99.1 Å²	99.1	54%	0.537	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	119.8	172.8	0	0	0	0	0	107.9	I886 F888	I886-A901 HydrophobicContact CG2-CB 4.38Å; F888-A901 HydrophobicContact CD1-CB 4.19Å; F888-A901 HydrophobicContact CE1-CB 3.61Å; F888-A901 HydrophobicContact CZ-CB 4.29Å
902	I	27.4	Very low	28	Very low	76 Å²	76	97 Å²	97	39%	0.39	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114	-175.8	-47	174.3	0	0	0	109.7	F904	I902-F904 HydrophobicContact CB-CD2 3.89Å; I902-F904 HydrophobicContact CB-CE2 3.49Å; I902-F904 VanDerWaalsContact CB-CE2 3.49Å; I902-F904 HydrophobicContact CB-CZ 4Å; I902-F904 HydrophobicContact CD1-CE2 4.01Å; I902-F904 HydrophobicContact CD1-CZ 4Å; I902-F904 HydrophobicContact CG1-CE2 4.33Å; I902-F904 HydrophobicContact CG2-CD1 4.13Å; I902-F904 HydrophobicContact CG2-CD2 3.7Å; I902-F904 HydrophobicContact CG2-CE1 3.82Å; I902-F904 HydrophobicContact CG2-CE2 3.37Å; I902-F904 HydrophobicContact CG2-CG 4.09Å; I902-F904 HydrophobicContact CG2-CZ 3.44Å; I902-F904 VanDerWaalsContact CG2-CZ 3.44Å; I902-F904 PolarHBondContact O-N 2.89Å
903	A	27.4	Very low	27.7	Very low	87 Å²	87	91.6 Å²	91.6	72%	0.719	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	104.3	172.6	0	0	0	0	0	109.6
904	F	27.7	Very low	27.4	Very low	86 Å²	86	87 Å²	87	38%	0.377	48%	0.484	S	S	.	.			trans	-99.2	105.8	-173.1	-82.8	-70.4	0	0	0	113	F887 I902	F887-F904 HydrophobicContact CD2-CD2 4.25Å; I902-F904 HydrophobicContact CB-CD2 3.89Å; I902-F904 HydrophobicContact CB-CE2 3.49Å; I902-F904 VanDerWaalsContact CB-CE2 3.49Å; I902-F904 HydrophobicContact CB-CZ 4Å; I902-F904 HydrophobicContact CD1-CE2 4.01Å; I902-F904 HydrophobicContact CD1-CZ 4Å; I902-F904 HydrophobicContact CG1-CE2 4.33Å; I902-F904 HydrophobicContact CG2-CD1 4.13Å; I902-F904 HydrophobicContact CG2-CD2 3.7Å; I902-F904 HydrophobicContact CG2-CE1 3.82Å; I902-F904 HydrophobicContact CG2-CE2 3.37Å; I902-F904 HydrophobicContact CG2-CG 4.09Å; I902-F904 HydrophobicContact CG2-CZ 3.44Å; I902-F904 VanDerWaalsContact CG2-CZ 3.44Å; I902-F904 PolarHBondContact O-N 2.89Å
905	G	25.4	Very low	27.5	Very low	67 Å²	67	84 Å²	84	69%	0.691	46%	0.459	S	S	*	.			trans	-113.9	134.1	163.2	0	0	0	0	0	111	P907	G905-P907 VanDerWaalsContact C-CD 3.45Å; G905-P907 WeakPolarHBondContact O-CD 3.48Å
906	G	25.9	Very low	27.7	Very low	15 Å²	15	79 Å²	79	16%	0.155	44%	0.438	C	S	.	.	S	Bend	trans	103.6	-74.8	171.7	0	0	0	0	0	116.2	R813 W908 Q909	R813-G906 VanDerWaalsContact CD-C 3.44Å; R813-G906 WeakPolarHBondContact CD-O 3.42Å; R813-G906 VanDerWaalsContact NE-C 3.26Å; R813-G906 PolarHBondContact NE-O 2.71Å; G906-W908 PolarHBondContact O-N 3.42Å; G906-W908 VanDerWaalsContact O-N 3.13Å; G906-Q909 WeakPolarHBondContact O-CB 3.26Å; G906-Q909 PolarHBondContact O-N 2.85Å
907	P	26.2	Very low	27.8	Very low	56 Å²	56	79.1 Å²	79.1	36%	0.364	44%	0.439	S	S	.	.	H	α-helix	trans	-55	-38.9	-172.7	-23.2	29.3	0	0	0	113.1	R813 G905 L910 F911	R813-P907 VanDerWaalsContact CZ-N 3.29Å; G905-P907 VanDerWaalsContact C-CD 3.45Å; G905-P907 WeakPolarHBondContact O-CD 3.48Å; P907-L910 WeakPolarHBondContact O-CB 3.46Å; P907-L910 PolarHBondContact O-N 3.26Å; P907-F911 PolarHBondContact O-N 2.97Å
908	W	27.9	Very low	27.9	Very low	68 Å²	68	76.3 Å²	76.3	26%	0.258	43%	0.43	S	S	.	.	H	α-helix	trans	-80.5	-7.6	177.4	-74.1	84.3	0	0	0	114.5	G906 L910 F911 D912 I935 F950	G906-W908 PolarHBondContact O-N 3.42Å; G906-W908 VanDerWaalsContact O-N 3.13Å; W908-L910 VanDerWaalsContact C-N 3.28Å; W908-F911 HydrophobicContact CB-CB 4.38Å; W908-F911 HydrophobicContact CD2-CB 3.82Å; W908-F911 HydrophobicContact CD2-CG 4.1Å; W908-F911 HydrophobicContact CE3-CB 3.47Å; W908-F911 VanDerWaalsContact CE3-CB 3.47Å; W908-F911 AromaticContact CE3-CD1 3.63Å; W908-F911 HydrophobicContact CE3-CD1 3.63Å; W908-F911 HydrophobicContact CE3-CD2 4.34Å; W908-F911 HydrophobicContact CE3-CE1 4.47Å; W908-F911 AromaticContact CE3-CG 3.54Å; W908-F911 HydrophobicContact CE3-CG 3.54Å; W908-F911 HydrophobicContact CG-CB 4.27Å; W908-F911 AromaticContact CH2-CD1 3.87Å; W908-F911 HydrophobicContact CH2-CD1 3.87Å; W908-F911 HydrophobicContact CH2-CD2 4.15Å; W908-F911 AromaticContact CH2-CE1 3.93Å; W908-F911 HydrophobicContact CH2-CE1 3.93Å; W908-F911 HydrophobicContact CH2-CE2 4.22Å; W908-F911 AromaticContact CH2-CG 3.99Å; W908-F911 HydrophobicContact CH2-CG 3.99Å; W908-F911 HydrophobicContact CH2-CZ 4.11Å; W908-F911 HydrophobicContact CZ2-CD2 4.43Å; W908-F911 HydrophobicContact CZ3-CB 3.98Å; W908-F911 AromaticContact CZ3-CD1 3.2Å; W908-F911 HydrophobicContact CZ3-CD1 3.2Å; W908-F911 HydrophobicContact CZ3-CD2 4.12Å; W908-F911 AromaticContact CZ3-CE1 3.63Å; W908-F911 HydrophobicContact CZ3-CE1 3.63Å; W908-F911 HydrophobicContact CZ3-CE2 4.47Å; W908-F911 AromaticContact CZ3-CG 3.49Å; W908-F911 HydrophobicContact CZ3-CG 3.49Å; W908-F911 VanDerWaalsContact CZ3-CG 3.49Å; W908-F911 HydrophobicContact CZ3-CZ 4.26Å; W908-F911 PolarHBondContact O-N 3.21Å; W908-D912 WeakPolarHBondContact O-CB 3.16Å; W908-D912 PolarHBondContact O-N 3.4Å; W908-I935 HydrophobicContact CH2-CG2 3.77Å; W908-I935 HydrophobicContact CZ2-CG2 4.32Å; W908-F950 HydrophobicContact CE3-CE1 4.29Å
909	Q	32.5	Very low	28	Very low	98 Å²	98	73.3 Å²	73.3	46%	0.458	41%	0.41	S	S	.	.	H	α-helix	trans	-66.2	-34.8	160.8	-80.9	175.5	-36.9	0	0	111.1	G906 H913	G906-Q909 WeakPolarHBondContact O-CB 3.26Å; G906-Q909 PolarHBondContact O-N 2.85Å; Q909-H913 WeakPolarHBondContact O-CB 3.24Å; Q909-H913 PolarHBondContact O-N 3.27Å; Q909-H913 VanDerWaalsContact O-N 3.12Å
910	L	28.8	Very low	28.1	Very low	86 Å²	86	70.5 Å²	70.5	45%	0.45	40%	0.399	S	S	.	.	H	α-helix	trans	-70.4	-39.8	173.8	-136.6	107.6	0	0	0	110.2	P907 W908 H913 C914	P907-L910 WeakPolarHBondContact O-CB 3.46Å; P907-L910 PolarHBondContact O-N 3.26Å; W908-L910 VanDerWaalsContact C-N 3.28Å; L910-H913 PolarHBondContact O-N 3.33Å; L910-C914 VanDerWaalsContact O-CB 3.3Å; L910-C914 WeakPolarHBondContact O-CB 3.48Å; L910-C914 PolarHBondContact O-N 3.02Å; L910-C914 PolarHBondContact O-SG 2.79Å
911	F	28	Very low	28.3	Very low	67 Å²	67	68.4 Å²	68.4	29%	0.294	40%	0.399	S	S	.	.	H	α-helix	trans	-68.7	-39	176.9	-145.2	-77.1	0	0	0	113	P907 W908 H913 C914 A915 H931	P907-F911 PolarHBondContact O-N 2.97Å; W908-F911 HydrophobicContact CB-CB 4.38Å; W908-F911 HydrophobicContact CD2-CB 3.82Å; W908-F911 HydrophobicContact CD2-CG 4.1Å; W908-F911 HydrophobicContact CE3-CB 3.47Å; W908-F911 VanDerWaalsContact CE3-CB 3.47Å; W908-F911 AromaticContact CE3-CD1 3.63Å; W908-F911 HydrophobicContact CE3-CD1 3.63Å; W908-F911 HydrophobicContact CE3-CD2 4.34Å; W908-F911 HydrophobicContact CE3-CE1 4.47Å; W908-F911 AromaticContact CE3-CG 3.54Å; W908-F911 HydrophobicContact CE3-CG 3.54Å; W908-F911 HydrophobicContact CG-CB 4.27Å; W908-F911 AromaticContact CH2-CD1 3.87Å; W908-F911 HydrophobicContact CH2-CD1 3.87Å; W908-F911 HydrophobicContact CH2-CD2 4.15Å; W908-F911 AromaticContact CH2-CE1 3.93Å; W908-F911 HydrophobicContact CH2-CE1 3.93Å; W908-F911 HydrophobicContact CH2-CE2 4.22Å; W908-F911 AromaticContact CH2-CG 3.99Å; W908-F911 HydrophobicContact CH2-CG 3.99Å; W908-F911 HydrophobicContact CH2-CZ 4.11Å; W908-F911 HydrophobicContact CZ2-CD2 4.43Å; W908-F911 HydrophobicContact CZ3-CB 3.98Å; W908-F911 AromaticContact CZ3-CD1 3.2Å; W908-F911 HydrophobicContact CZ3-CD1 3.2Å; W908-F911 HydrophobicContact CZ3-CD2 4.12Å; W908-F911 AromaticContact CZ3-CE1 3.63Å; W908-F911 HydrophobicContact CZ3-CE1 3.63Å; W908-F911 HydrophobicContact CZ3-CE2 4.47Å; W908-F911 AromaticContact CZ3-CG 3.49Å; W908-F911 HydrophobicContact CZ3-CG 3.49Å; W908-F911 VanDerWaalsContact CZ3-CG 3.49Å; W908-F911 HydrophobicContact CZ3-CZ 4.26Å; W908-F911 PolarHBondContact O-N 3.21Å; F911-H913 VanDerWaalsContact C-N 3.34Å; F911-C914 PolarHBondContact O-N 3.18Å; F911-A915 HydrophobicContact CD1-CB 4.23Å; F911-A915 HydrophobicContact CE1-CB 4.42Å; F911-A915 WeakPolarHBondContact O-CB 3.48Å; F911-A915 PolarHBondContact O-N 3.04Å; F911-H931 HydrophobicContact CE1-CB 4.29Å; F911-H931 HydrophobicContact CZ-CB 3.84Å; F911-H931 AromaticContact CZ-CG 3.91Å; F911-H931 AromaticContact CZ-ND1 3.89Å
912	D	32.5	Very low	28.3	Very low	27 Å²	27	67.5 Å²	67.5	14%	0.144	39%	0.388	C	S	.	.	H	α-helix	trans	-64.6	-39.1	175.5	-158.4	51.1	0	0	0	110.8	W908 H916 R949 F950	W908-D912 WeakPolarHBondContact O-CB 3.16Å; W908-D912 PolarHBondContact O-N 3.4Å; D912-H916 VanDerWaalsContact O-CB 3.26Å; D912-H916 WeakPolarHBondContact O-CB 3.46Å; D912-H916 PolarHBondContact O-N 2.74Å; D912-R949 WeakPolarHBondContact OD1-CA 3.39Å; D912-R949 WeakPolarHBondContact OD1-CB 3.21Å; D912-R949 PolarHBondContact OD1-N 2.88Å; D912-R949 VanDerWaalsContact OD2-CB 3.28Å; D912-R949 WeakPolarHBondContact OD2-CB 3.42Å; D912-R949 WeakPolarHBondContact OD2-CD 3.42Å; D912-R949 VanDerWaalsContact OD2-CG 3.23Å; D912-R949 WeakPolarHBondContact OD2-CG 3.43Å; D912-R949 PolarHBondContact OD2-N 3.49Å; D912-F950 WeakPolarHBondContact OD1-CD1 3.16Å; D912-F950 PolarHBondContact OD1-N 3.08Å
913	H	30.6	Very low	28.2	Very low	54 Å²	54	70.1 Å²	70.1	25%	0.25	41%	0.411	C	S	.	.	H	α-helix	trans	-63.8	-53.8	168.5	-104.3	-76.1	0	0	0	112.6	K815 Q909 L910 F911 H916 Y917	K815-H913 PolarHBondContact NZ-CD2 3.14Å; K815-H913 VanDerWaalsContact NZ-CG 3.27Å; K815-H913 PolarHBondContact NZ-ND1 3.04Å; K815-H913 PolarHBondContact NZ-NE2 3.13Å; Q909-H913 WeakPolarHBondContact O-CB 3.24Å; Q909-H913 PolarHBondContact O-N 3.27Å; Q909-H913 VanDerWaalsContact O-N 3.12Å; L910-H913 PolarHBondContact O-N 3.33Å; F911-H913 VanDerWaalsContact C-N 3.34Å; H913-H916 PolarHBondContact O-N 3Å; H913-Y917 AromaticContact ND1-CE2 3.98Å; H913-Y917 WeakPolarHBondContact O-CD2 3.42Å; H913-Y917 PolarHBondContact O-N 3.08Å
914	C	25.6	Very low	28.5	Very low	74 Å²	74	70.3 Å²	70.3	50%	0.5	41%	0.407	S	S	.	.	H	α-helix	trans	-70	-35.1	-172.5	-69.4	0	0	0	0	112.8	L910 F911 S918	L910-C914 VanDerWaalsContact O-CB 3.3Å; L910-C914 WeakPolarHBondContact O-CB 3.48Å; L910-C914 PolarHBondContact O-N 3.02Å; L910-C914 PolarHBondContact O-SG 2.79Å; F911-C914 PolarHBondContact O-N 3.18Å; C914-S918 WeakPolarHBondContact O-CB 3.36Å; C914-S918 PolarHBondContact O-N 2.86Å
915	A	28.4	Very low	28.5	Very low	25 Å²	25	74.9 Å²	74.9	21%	0.207	42%	0.424	C	S	.	.	H	α-helix	trans	-69.4	-35.3	174	0	0	0	0	0	112	F911 T919	F911-A915 HydrophobicContact CD1-CB 4.23Å; F911-A915 HydrophobicContact CE1-CB 4.42Å; F911-A915 WeakPolarHBondContact O-CB 3.48Å; F911-A915 PolarHBondContact O-N 3.04Å; A915-T919 PolarHBondContact O-N 3.08Å; A915-T919 PolarHBondContact O-OG1 2.82Å; A915-T919 VanDerWaalsContact O-OG1 3.05Å
916	H	29.8	Very low	28.7	Very low	55 Å²	55	74.8 Å²	74.8	26%	0.255	42%	0.423	S	S	.	.	H	α-helix	trans	-67.4	-43.1	173.8	-167	79.9	0	0	0	111.9	D912 H913 T919 Q920	D912-H916 VanDerWaalsContact O-CB 3.26Å; D912-H916 WeakPolarHBondContact O-CB 3.46Å; D912-H916 PolarHBondContact O-N 2.74Å; H913-H916 PolarHBondContact O-N 3Å; H916-T919 PolarHBondContact O-N 2.99Å; H916-T919 PolarHBondContact O-OG1 2.94Å; H916-Q920 PolarHBondContact NE2-NE2 3.18Å; H916-Q920 VanDerWaalsContact NE2-NE2 3.15Å; H916-Q920 PolarHBondContact O-N 2.91Å
917	Y	29.1	Very low	29	Very low	138 Å²	138	78.1 Å²	78.1	54%	0.541	44%	0.444	S	S	.	.	H	α-helix	trans	-71.3	-34.1	174.7	-85	-81.9	0	0	0	113.3	H913 T919 Q920	H913-Y917 AromaticContact ND1-CE2 3.98Å; H913-Y917 WeakPolarHBondContact O-CD2 3.42Å; H913-Y917 PolarHBondContact O-N 3.08Å; Y917-T919 PolarHBondContact O-N 3.35Å; Y917-T919 VanDerWaalsContact O-N 3.17Å; Y917-Q920 PolarHBondContact O-N 2.98Å
918	S	27.9	Very low	29.4	Very low	62 Å²	62	76.9 Å²	76.9	43%	0.434	44%	0.436	S	S	.	.	H	α-helix	trans	-58.3	-25.6	174.1	169.7	0	0	0	0	113.3	C914	C914-S918 WeakPolarHBondContact O-CB 3.36Å; C914-S918 PolarHBondContact O-N 2.86Å
919	T	28.4	Very low	29.7	Very low	45 Å²	45	78.1 Å²	78.1	28%	0.276	45%	0.446	S	S	.	.	H	α-helix	trans	-96.3	-25.9	-179	43.1	0	0	0	0	113.6	A915 H916 Y917	A915-T919 PolarHBondContact O-N 3.08Å; A915-T919 PolarHBondContact O-OG1 2.82Å; A915-T919 VanDerWaalsContact O-OG1 3.05Å; H916-T919 PolarHBondContact O-N 2.99Å; H916-T919 PolarHBondContact O-OG1 2.94Å; Y917-T919 PolarHBondContact O-N 3.35Å; Y917-T919 VanDerWaalsContact O-N 3.17Å
920	Q	29.4	Very low	29.7	Very low	86 Å²	86	77.5 Å²	77.5	40%	0.402	45%	0.45	S	S	.	.	H	α-helix	trans	-79.2	-26.5	179.6	-74.1	-154.5	24	0	0	115.3	K772 H916 Y917	K772-Q920 VanDerWaalsContact CE-OE1 3.31Å; H916-Q920 PolarHBondContact NE2-NE2 3.18Å; H916-Q920 VanDerWaalsContact NE2-NE2 3.15Å; H916-Q920 PolarHBondContact O-N 2.91Å; Y917-Q920 PolarHBondContact O-N 2.98Å
921	C	29	Very low	30.1	Very low	100 Å²	100	78.4 Å²	78.4	68%	0.676	45%	0.452	S	S	*	.	S	Bend	trans	-93.4	-17.7	-168.3	-91.8	0	0	0	0	117.2
922	C	26	Very low	30.6	Very low	45 Å²	45	76 Å²	76	30%	0.304	44%	0.442	S	S	.	.			trans	-159.5	80.4	180	-102.9	0	0	0	0	113.5	S924 Y925	C922-S924 PolarHBondContact O-N 3.38Å; C922-Y925 PolarHBondContact O-N 2.97Å
923	C	26.1	Very low	31	Very low	131 Å²	131	82 Å²	82	89%	0.885	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-3	170.8	-65.3	0	0	0	0	114.7
924	S	32.7	Very low	31.4	Very low	91 Å²	91	86.1 Å²	86.1	64%	0.636	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-11.6	179.4	40.5	0	0	0	0	114.9	C922	C922-S924 PolarHBondContact O-N 3.38Å
925	Y	29.3	Very low	31.9	Very low	183 Å²	183	83.5 Å²	83.5	72%	0.718	47%	0.469	S	S	*	.	S	Bend	trans	-144	91.6	-176.2	-66.5	-76.9	0	0	0	113.3	C922	C922-Y925 PolarHBondContact O-N 2.97Å
926	G	29.7	Very low	32.4	Very low	65 Å²	65	85.3 Å²	85.3	67%	0.67	48%	0.477	S	S	*	.			trans	110.9	75.7	165.2	0	0	0	0	0	115.8
927	S	31	Very low	32.7	Very low	85 Å²	85	86.1 Å²	86.1	59%	0.594	49%	0.488	S	S	*	.			trans	-56.9	133.1	177.1	179.3	0	0	0	0	113.8	M929 P930	S927-M929 PolarHBondContact O-N 2.79Å; S927-M929 VanDerWaalsContact O-N 3.14Å; S927-M929 WeakPolarHBondContact OG-CB 3.5Å; S927-M929 VanDerWaalsContact OG-CG 3.24Å; S927-M929 WeakPolarHBondContact OG-CG 3.35Å; S927-M929 PolarHBondContact OG-N 2.83Å; S927-P930 WeakPolarHBondContact O-CD 3.42Å
928	S	34.8	Very low	33	Very low	29 Å²	29	83.5 Å²	83.5	20%	0.203	48%	0.479	C	S	.	.	S	Bend	trans	-68.7	-0.7	173.9	53.7	0	0	0	0	115	H931 I932	S928-H931 PolarHBondContact O-N 3.42Å; S928-I932 PolarHBondContact O-N 3.35Å
929	M	33.9	Very low	33.2	Very low	95 Å²	95	80.6 Å²	80.6	47%	0.468	46%	0.459	S	S	.	.	H	α-helix	trans	-52.5	-33.7	-178.4	-81.5	-68.8	164.6	0	0	117.2	S927 H931 I932 K933	S927-M929 PolarHBondContact O-N 2.79Å; S927-M929 VanDerWaalsContact O-N 3.14Å; S927-M929 WeakPolarHBondContact OG-CB 3.5Å; S927-M929 VanDerWaalsContact OG-CG 3.24Å; S927-M929 WeakPolarHBondContact OG-CG 3.35Å; S927-M929 PolarHBondContact OG-N 2.83Å; M929-H931 VanDerWaalsContact C-N 3.27Å; M929-H931 PolarHBondContact O-N 2.99Å; M929-I932 HydrophobicContact CE-CD1 4.36Å; M929-I932 PolarHBondContact O-N 3.43Å; M929-I932 HydrophobicContact SD-CB 4.45Å; M929-I932 HydrophobicContact SD-CD1 4.25Å; M929-K933 WeakPolarHBondContact O-CB 3.44Å; M929-K933 WeakPolarHBondContact O-CG 3.32Å; M929-K933 PolarHBondContact O-N 2.95Å
930	P	33.8	Very low	33.7	Very low	85 Å²	85	78.6 Å²	78.6	55%	0.552	45%	0.446	S	S	*	.	H	α-helix	trans	-58.6	-38.4	178.8	-26.1	35.7	0	0	0	113.1	S927 M934	S927-P930 WeakPolarHBondContact O-CD 3.42Å; P930-M934 PolarHBondContact O-N 3.23Å
931	H	37.2	Very low	33.9	Very low	105 Å²	105	75.2 Å²	75.2	49%	0.486	43%	0.431	S	S	.	.	H	α-helix	trans	-76.9	-37.7	179.1	-63.9	-72.7	0	0	0	112.3	F911 S928 M929 K933 M934 I935	F911-H931 HydrophobicContact CE1-CB 4.29Å; F911-H931 HydrophobicContact CZ-CB 3.84Å; F911-H931 AromaticContact CZ-CG 3.91Å; F911-H931 AromaticContact CZ-ND1 3.89Å; S928-H931 PolarHBondContact O-N 3.42Å; M929-H931 VanDerWaalsContact C-N 3.27Å; M929-H931 PolarHBondContact O-N 2.99Å; H931-K933 VanDerWaalsContact C-N 3.31Å; H931-K933 PolarHBondContact O-N 3.37Å; H931-M934 WeakPolarHBondContact O-CB 3.19Å; H931-M934 PolarHBondContact O-N 2.92Å; H931-M934 VanDerWaalsContact O-N 3.15Å; H931-I935 PolarHBondContact O-N 2.91Å
932	I	38.2	Very low	34.4	Very low	17 Å²	17	71.1 Å²	71.1	9%	0.087	40%	0.403	C	S	.	.	H	α-helix	trans	-63.3	-40.5	175.9	-60.8	161.9	0	0	0	110.1	S928 M929 M934 I935 T936 C954	S928-I932 PolarHBondContact O-N 3.35Å; M929-I932 HydrophobicContact CE-CD1 4.36Å; M929-I932 PolarHBondContact O-N 3.43Å; M929-I932 HydrophobicContact SD-CB 4.45Å; M929-I932 HydrophobicContact SD-CD1 4.25Å; I932-M934 VanDerWaalsContact C-N 3.26Å; I932-M934 PolarHBondContact O-N 2.96Å; I932-I935 WeakPolarHBondContact O-CG1 3.44Å; I932-I935 PolarHBondContact O-N 3.37Å; I932-I935 VanDerWaalsContact O-N 3.16Å; I932-T936 PolarHBondContact O-N 3.4Å; I932-T936 VanDerWaalsContact O-N 3.1Å; I932-T936 PolarHBondContact O-OG1 2.87Å; I932-C954 WeakPolarHBondContact CD1-SG 3.32Å
933	K	39.7	Very low	34.9	Very low	152 Å²	152	72.1 Å²	72.1	66%	0.661	40%	0.403	S	S	*	.	H	α-helix	trans	-62.4	-27.9	174.6	-76.9	-176.1	175.9	-172.3	0	113.8	M929 H931 P937	M929-K933 WeakPolarHBondContact O-CB 3.44Å; M929-K933 WeakPolarHBondContact O-CG 3.32Å; M929-K933 PolarHBondContact O-N 2.95Å; H931-K933 VanDerWaalsContact C-N 3.31Å; H931-K933 PolarHBondContact O-N 3.37Å; K933-P937 WeakPolarHBondContact O-CD 3.29Å
934	M	38.7	Very low	35.1	Very low	141 Å²	141	69 Å²	69	70%	0.695	38%	0.381	S	S	*	.	H	α-helix	trans	-71.2	-31.6	174.7	-79.9	-178.8	148.6	0	0	113	P930 H931 I932 P937 F938	P930-M934 PolarHBondContact O-N 3.23Å; H931-M934 WeakPolarHBondContact O-CB 3.19Å; H931-M934 PolarHBondContact O-N 2.92Å; H931-M934 VanDerWaalsContact O-N 3.15Å; I932-M934 VanDerWaalsContact C-N 3.26Å; I932-M934 PolarHBondContact O-N 2.96Å; M934-P937 WeakPolarHBondContact O-CD 3.45Å; M934-F938 WeakPolarHBondContact O-CE2 3.45Å
935	I	37.7	Very low	35.1	Very low	19 Å²	19	71.3 Å²	71.3	10%	0.097	39%	0.385	C	S	.	.	H	α-helix	trans	-89.3	-18.1	178.2	61.4	168.2	0	0	0	113.7	W908 H931 I932 P937 F938 F950 V957	W908-I935 HydrophobicContact CH2-CG2 3.77Å; W908-I935 HydrophobicContact CZ2-CG2 4.32Å; H931-I935 PolarHBondContact O-N 2.91Å; I932-I935 WeakPolarHBondContact O-CG1 3.44Å; I932-I935 PolarHBondContact O-N 3.37Å; I932-I935 VanDerWaalsContact O-N 3.16Å; I935-P937 VanDerWaalsContact C-N 3.34Å; I935-F938 PolarHBondContact O-N 3.13Å; I935-F950 HydrophobicContact CD1-CD2 4.33Å; I935-F950 HydrophobicContact CD1-CE2 3.85Å; I935-V957 HydrophobicContact CD1-CG2 4.02Å; I935-V957 HydrophobicContact CG1-CG2 4.47Å
936	T	38.6	Very low	35.5	Very low	62 Å²	62	64.9 Å²	64.9	38%	0.38	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-33.2	-177.7	-50.4	0	0	0	0	115	I932 F938	I932-T936 PolarHBondContact O-N 3.4Å; I932-T936 VanDerWaalsContact O-N 3.1Å; I932-T936 PolarHBondContact O-OG1 2.87Å; T936-F938 PolarHBondContact O-N 3.08Å
937	P	35.1	Very low	35.7	Very low	73 Å²	73	64 Å²	64	47%	0.474	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.5	174.4	-21	34.2	0	0	0	114.6	K933 M934 I935	K933-P937 WeakPolarHBondContact O-CD 3.29Å; M934-P937 WeakPolarHBondContact O-CD 3.45Å; I935-P937 VanDerWaalsContact C-N 3.34Å
938	F	35.6	Very low	36.1	Very low	83 Å²	83	60.9 Å²	60.9	36%	0.364	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.3	-177.1	-58.5	-90.7	0	0	0	110.2	F888 H889 M934 I935 T936	F888-F938 CarbonylContact O-C 3.44Å; F888-F938 WeakPolarHBondContact O-CA 3.33Å; H889-F938 HydrophobicContact CB-CD1 4.33Å; H889-F938 HydrophobicContact CB-CE1 4.43Å; H889-F938 AromaticContact CD2-CE1 3.85Å; M934-F938 WeakPolarHBondContact O-CE2 3.45Å; I935-F938 PolarHBondContact O-N 3.13Å; T936-F938 PolarHBondContact O-N 3.08Å
939	G	31.8	Very low	36.4	Very low	1 Å²	1	65.6 Å²	65.6	1%	0.01	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	138.4	167.2	0	0	0	0	0	110.3	F887 F888	F887-G939 WeakPolarHBondContact CA-O 3.39Å; F888-G939 PolarHBondContact N-O 3.13Å; F888-G939 PolarHBondContact O-N 3.02Å
940	V	40.2	Very low	36.7	Very low	2 Å²	2	62 Å²	62	1%	0.012	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.5	179.1	-165.7	0	0	0	0	109.5	F887 V942 M951 V957 L958 S959 S960	F887-V940 HydrophobicContact CD1-CB 4.24Å; F887-V940 HydrophobicContact CD1-CG1 4.04Å; F887-V940 HydrophobicContact CD1-CG2 3.53Å; F887-V940 HydrophobicContact CD2-CG1 4.37Å; F887-V940 HydrophobicContact CE1-CB 4.12Å; F887-V940 HydrophobicContact CE1-CG1 3.69Å; F887-V940 HydrophobicContact CE1-CG2 3.32Å; F887-V940 HydrophobicContact CE2-CG1 4.03Å; F887-V940 HydrophobicContact CG-CG1 4.36Å; F887-V940 HydrophobicContact CG-CG2 4.5Å; F887-V940 HydrophobicContact CZ-CG1 3.67Å; F887-V940 HydrophobicContact CZ-CG2 4.15Å; V940-V942 HydrophobicContact CG1-CG2 4.17Å; V940-M951 HydrophobicContact CB-CE 3.85Å; V940-M951 HydrophobicContact CB-SD 4.48Å; V940-M951 HydrophobicContact CG1-CE 4.05Å; V940-M951 HydrophobicContact CG1-SD 4.02Å; V940-M951 HydrophobicContact CG2-CE 4.07Å; V940-V957 HydrophobicContact CB-CG1 4.33Å; V940-V957 HydrophobicContact CG2-CG1 3.36Å; V940-L958 PolarHBondContact N-O 3.49Å; V940-L958 VanDerWaalsContact N-O 3.13Å; V940-S959 WeakPolarHBondContact O-CA 3.42Å; V940-S959 WeakPolarHBondContact O-CB 3.47Å; V940-S960 PolarHBondContact O-N 3.07Å
941	L	32.5	Very low	37	Very low	16 Å²	16	58.4 Å²	58.4	8%	0.084	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	108.4	177.7	-154.4	146.5	0	0	0	109	I886 F888 S960 L962	I886-L941 PolarHBondContact N-O 3.46Å; I886-L941 WeakPolarHBondContact O-CA 3.39Å; I886-L941 WeakPolarHBondContact O-CB 3.39Å; I886-L941 PolarHBondContact O-N 3.01Å; F888-L941 HydrophobicContact CD2-CB 3.96Å; F888-L941 HydrophobicContact CD2-CD1 4.37Å; F888-L941 HydrophobicContact CE2-CB 3.76Å; F888-L941 HydrophobicContact CE2-CD1 3.97Å; F888-L941 HydrophobicContact CE2-CG 4.37Å; L941-S960 VanDerWaalsContact CA-O 3.29Å; L941-S960 WeakPolarHBondContact CA-O 3.46Å; L941-L962 HydrophobicContact CD1-CD1 3.73Å; L941-L962 HydrophobicContact CD2-CB 3.59Å; L941-L962 HydrophobicContact CD2-CD1 3.49Å; L941-L962 VanDerWaalsContact CD2-CD1 3.49Å; L941-L962 HydrophobicContact CD2-CG 4.06Å; L941-L962 HydrophobicContact CG-CD1 4.25Å
942	V	40	Very low	37.3	Very low	14 Å²	14	59.9 Å²	59.9	9%	0.085	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	144.2	-163.7	-133.2	0	0	0	0	110.7	A885 V940 P947 M951 S960	A885-V942 HydrophobicContact CB-CG1 4.08Å; V940-V942 HydrophobicContact CG1-CG2 4.17Å; V942-P947 HydrophobicContact CG1-CB 4.29Å; V942-M951 HydrophobicContact CG1-SD 4.16Å; V942-M951 HydrophobicContact CG2-CE 4.36Å; V942-M951 HydrophobicContact CG2-SD 4.05Å; V942-S960 PolarHBondContact N-O 2.8Å
943	H	37.2	Very low	37.3	Very low	66 Å²	66	64 Å²	64	31%	0.306	33%	0.325	S	S	.	.			trans	-67.7	124.8	169.2	-174	-91.8	0	0	0	110	R884 I945 C946	R884-H943 HydrophobicContact CB-CB 3.98Å; R884-H943 WeakPolarHBondContact O-CB 3.46Å; R884-H943 PolarHBondContact O-N 3.2Å; R884-H943 VanDerWaalsContact O-N 3.08Å; H943-I945 PolarHBondContact O-N 3.06Å; H943-C946 PolarHBondContact O-N 3.01Å
944	P	29.9	Very low	37.2	Very low	65 Å²	65	57.9 Å²	57.9	42%	0.422	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.7	-165.1	21	-32.8	0	0	0	114.4
945	I	31.7	Very low	37.2	Very low	139 Å²	139	55.5 Å²	55.5	71%	0.713	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-18.6	-178.9	-43.5	-179.3	0	0	0	112.3	H943	H943-I945 PolarHBondContact O-N 3.06Å
946	C	37.2	Very low	37.2	Very low	49 Å²	49	57.8 Å²	57.8	33%	0.331	31%	0.309	S	S	.	.			trans	-136.4	61	-165.7	-57.6	0	0	0	0	114.4	P883 H943	P883-C946 HydrophobicContact CB-CB 4.49Å; H943-C946 PolarHBondContact O-N 3.01Å
947	P	34.7	Very low	37.2	Very low	47 Å²	47	55.4 Å²	55.4	31%	0.305	29%	0.294	S	S	.	.			trans	-70.6	144.9	176.2	29.8	-35	0	0	0	112.8	V942	V942-P947 HydrophobicContact CG1-CB 4.29Å
948	P	39.5	Very low	37.3	Very low	18 Å²	18	56.2 Å²	56.2	12%	0.117	29%	0.294	C	S	.	.			trans	-59.7	149.2	171.9	-24.2	34.5	0	0	0	113.4	A885 F950 M951	A885-P948 HydrophobicContact CB-CG 4.26Å; P948-F950 VanDerWaalsContact C-N 3.3Å; P948-F950 HydrophobicContact CB-CD1 3.64Å; P948-F950 HydrophobicContact CB-CE1 3.4Å; P948-F950 HydrophobicContact CB-CZ 4.19Å; P948-F950 HydrophobicContact CG-CE1 3.96Å; P948-F950 HydrophobicContact CG-CZ 4.43Å; P948-F950 PolarHBondContact O-N 3.24Å; P948-M951 HydrophobicContact CB-CG 4.48Å; P948-M951 WeakPolarHBondContact O-CB 3.49Å; P948-M951 PolarHBondContact O-N 2.89Å
949	R	41.3	Very low	37.4	Very low	129 Å²	129	52.4 Å²	52.4	49%	0.487	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-65	-30.7	-173.8	-56.6	175.1	-176.3	-176.2	2.9	112.9	D912 M951 Q952	D912-R949 WeakPolarHBondContact OD1-CA 3.39Å; D912-R949 WeakPolarHBondContact OD1-CB 3.21Å; D912-R949 PolarHBondContact OD1-N 2.88Å; D912-R949 VanDerWaalsContact OD2-CB 3.28Å; D912-R949 WeakPolarHBondContact OD2-CB 3.42Å; D912-R949 WeakPolarHBondContact OD2-CD 3.42Å; D912-R949 VanDerWaalsContact OD2-CG 3.23Å; D912-R949 WeakPolarHBondContact OD2-CG 3.43Å; D912-R949 PolarHBondContact OD2-N 3.49Å; R949-M951 PolarHBondContact O-N 3.34Å; R949-Q952 WeakPolarHBondContact O-CB 3.25Å; R949-Q952 PolarHBondContact O-N 3.26Å; R949-Q952 VanDerWaalsContact O-N 3.08Å
950	F	40.9	Very low	37.4	Very low	20 Å²	20	52.6 Å²	52.6	9%	0.088	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-62.7	-30.1	174.4	77	-97	0	0	0	112.3	F887 W908 D912 I935 P948 Q952 M953 C954	F887-F950 HydrophobicContact CZ-CZ 4.15Å; W908-F950 HydrophobicContact CE3-CE1 4.29Å; D912-F950 WeakPolarHBondContact OD1-CD1 3.16Å; D912-F950 PolarHBondContact OD1-N 3.08Å; I935-F950 HydrophobicContact CD1-CD2 4.33Å; I935-F950 HydrophobicContact CD1-CE2 3.85Å; P948-F950 VanDerWaalsContact C-N 3.3Å; P948-F950 HydrophobicContact CB-CD1 3.64Å; P948-F950 HydrophobicContact CB-CE1 3.4Å; P948-F950 HydrophobicContact CB-CZ 4.19Å; P948-F950 HydrophobicContact CG-CE1 3.96Å; P948-F950 HydrophobicContact CG-CZ 4.43Å; P948-F950 PolarHBondContact O-N 3.24Å; F950-Q952 VanDerWaalsContact C-N 3.3Å; F950-Q952 PolarHBondContact O-N 2.75Å; F950-M953 PolarHBondContact O-N 2.99Å; F950-C954 WeakPolarHBondContact O-CB 3.4Å; F950-C954 PolarHBondContact O-N 3.47Å; F950-C954 VanDerWaalsContact O-N 3.08Å
951	M	39	Very low	37	Very low	8 Å²	8	52.7 Å²	52.7	4%	0.039	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-72.7	-23	175.1	-59.4	-163.8	90.7	0	0	112.3	V940 V942 P948 R949 M953 V957	V940-M951 HydrophobicContact CB-CE 3.85Å; V940-M951 HydrophobicContact CB-SD 4.48Å; V940-M951 HydrophobicContact CG1-CE 4.05Å; V940-M951 HydrophobicContact CG1-SD 4.02Å; V940-M951 HydrophobicContact CG2-CE 4.07Å; V942-M951 HydrophobicContact CG1-SD 4.16Å; V942-M951 HydrophobicContact CG2-CE 4.36Å; V942-M951 HydrophobicContact CG2-SD 4.05Å; P948-M951 HydrophobicContact CB-CG 4.48Å; P948-M951 WeakPolarHBondContact O-CB 3.49Å; P948-M951 PolarHBondContact O-N 2.89Å; R949-M951 PolarHBondContact O-N 3.34Å; M951-M953 PolarHBondContact O-N 2.99Å; M951-V957 HydrophobicContact CE-CB 4.12Å; M951-V957 HydrophobicContact CE-CG1 3.96Å
952	Q	42.6	Very low	36.8	Very low	136 Å²	136	55 Å²	55	64%	0.636	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-69.7	-15.7	170.9	-58.1	179.6	-21.3	0	0	112.8	R949 F950	R949-Q952 WeakPolarHBondContact O-CB 3.25Å; R949-Q952 PolarHBondContact O-N 3.26Å; R949-Q952 VanDerWaalsContact O-N 3.08Å; F950-Q952 VanDerWaalsContact C-N 3.3Å; F950-Q952 PolarHBondContact O-N 2.75Å
953	M	38.3	Very low	36.3	Very low	104 Å²	104	59.4 Å²	59.4	51%	0.512	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-13.4	-179.7	-72.8	-77	-130.9	0	0	113.9	F950 M951	F950-M953 PolarHBondContact O-N 2.99Å; M951-M953 PolarHBondContact O-N 2.99Å
954	C	38.7	Very low	36	Very low	24 Å²	24	61.3 Å²	61.3	16%	0.162	32%	0.318	C	S	.	.			trans	-123.3	85.6	-170.7	-74	0	0	0	0	112.8	I932 F950 S956	I932-C954 WeakPolarHBondContact CD1-SG 3.32Å; F950-C954 WeakPolarHBondContact O-CB 3.4Å; F950-C954 PolarHBondContact O-N 3.47Å; F950-C954 VanDerWaalsContact O-N 3.08Å; C954-S956 PolarHBondContact O-N 3.46Å
955	N	39.5	Very low	35.9	Very low	91 Å²	91	62.8 Å²	62.8	49%	0.487	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-7.9	-175.9	-52.4	-1.7	0	0	0	115.8	Y986	N955-Y986 HydrophobicContact CB-CD2 4.21Å; N955-Y986 HydrophobicContact CB-CG 4.14Å; N955-Y986 WeakPolarHBondContact ND2-CD2 3.28Å; N955-Y986 VanDerWaalsContact ND2-CE2 3.28Å; N955-Y986 WeakPolarHBondContact ND2-CE2 3.16Å; N955-Y986 VanDerWaalsContact ND2-CG 3.33Å; N955-Y986 VanDerWaalsContact OD1-CD2 3.29Å; N955-Y986 WeakPolarHBondContact OD1-CD2 3.06Å
956	S	36.2	Very low	36	Very low	67 Å²	67	61 Å²	61	47%	0.469	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	3.6	-165.1	64.5	0	0	0	0	115.4	C954	C954-S956 PolarHBondContact O-N 3.46Å
957	V	39.5	Very low	35.8	Very low	12 Å²	12	62 Å²	62	7%	0.073	32%	0.323	C	S	.	.	S	Bend	trans	-94.9	120.2	-177.7	-175.7	0	0	0	0	109.4	I935 V940 M951 S959	I935-V957 HydrophobicContact CD1-CG2 4.02Å; I935-V957 HydrophobicContact CG1-CG2 4.47Å; V940-V957 HydrophobicContact CB-CG1 4.33Å; V940-V957 HydrophobicContact CG2-CG1 3.36Å; M951-V957 HydrophobicContact CE-CB 4.12Å; M951-V957 HydrophobicContact CE-CG1 3.96Å; V957-S959 PolarHBondContact O-N 2.88Å
958	L	36.2	Very low	35.9	Very low	89 Å²	89	67 Å²	67	47%	0.466	34%	0.342	S	S	.	.			trans	-65.6	116.8	178.4	-67.6	171	0	0	0	110	V940 Y982	V940-L958 PolarHBondContact N-O 3.49Å; V940-L958 VanDerWaalsContact N-O 3.13Å; L958-Y982 HydrophobicContact CB-CE2 4.47Å; L958-Y982 HydrophobicContact CD2-CE2 3.93Å; L958-Y982 VanDerWaalsContact CD2-OH 3.27Å; L958-Y982 WeakPolarHBondContact CD2-OH 3.27Å
959	S	39.3	Very low	36.1	Very low	4 Å²	4	68 Å²	68	3%	0.028	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145	-177.6	47.5	0	0	0	0	114.4	V940 V957 Y982 L983	V940-S959 WeakPolarHBondContact O-CA 3.42Å; V940-S959 WeakPolarHBondContact O-CB 3.47Å; V957-S959 PolarHBondContact O-N 2.88Å; S959-Y982 VanDerWaalsContact O-CD2 3.32Å; S959-Y982 WeakPolarHBondContact O-CD2 3.31Å; S959-L983 PolarHBondContact O-N 2.95Å; S959-L983 PolarHBondContact OG-O 2.89Å
960	S	30.8	Very low	36.2	Very low	4 Å²	4	71.7 Å²	71.7	3%	0.028	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	161.5	168.8	-62.5	0	0	0	0	110.3	V940 L941 V942 D981	V940-S960 PolarHBondContact O-N 3.07Å; L941-S960 VanDerWaalsContact CA-O 3.29Å; L941-S960 WeakPolarHBondContact CA-O 3.46Å; V942-S960 PolarHBondContact N-O 2.8Å; S960-D981 CarbonylContact C-O 3.54Å; S960-D981 WeakPolarHBondContact CA-O 3.26Å; S960-D981 VanDerWaalsContact CB-O 3.26Å; S960-D981 WeakPolarHBondContact CB-O 3.16Å
961	A	32.3	Very low	36.6	Very low	4 Å²	4	78.3 Å²	78.3	3%	0.033	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.5	172.4	0	0	0	0	0	109.8	S980 D981 L983	A961-S980 VanDerWaalsContact O-CA 3.25Å; A961-S980 WeakPolarHBondContact O-CA 3.29Å; A961-D981 PolarHBondContact N-O 2.84Å; A961-D981 PolarHBondContact O-N 2.63Å; A961-L983 HydrophobicContact CB-CD1 4.22Å
962	L	28.9	Very low	36.5	Very low	66 Å²	66	80.7 Å²	80.7	35%	0.346	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	136.6	169.5	-133.4	74.3	0	0	0	109.1	L941 I964 V978 T979	L941-L962 HydrophobicContact CD1-CD1 3.73Å; L941-L962 HydrophobicContact CD2-CB 3.59Å; L941-L962 HydrophobicContact CD2-CD1 3.49Å; L941-L962 VanDerWaalsContact CD2-CD1 3.49Å; L941-L962 HydrophobicContact CD2-CG 4.06Å; L941-L962 HydrophobicContact CG-CD1 4.25Å; L962-I964 HydrophobicContact CD2-CD1 4.26Å; L962-I964 HydrophobicContact CD2-CG1 4.16Å; L962-V978 HydrophobicContact CD1-CG1 3.91Å; L962-V978 HydrophobicContact CD2-CG1 3.5Å; L962-V978 VanDerWaalsContact CD2-CG1 3.5Å; L962-V978 HydrophobicContact CG-CG1 3.57Å; L962-T979 WeakPolarHBondContact CA-O 3.48Å
963	W	28.9	Very low	35.9	Very low	105 Å²	105	75.9 Å²	75.9	40%	0.398	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	143.5	160.4	-55.7	100	0	0	0	108.5	V978 T979	W963-V978 WeakPolarHBondContact O-CA 3.29Å; W963-T979 PolarHBondContact N-O 2.75Å; W963-T979 PolarHBondContact O-N 3.35Å
964	I	29.7	Very low	35.7	Very low	106 Å²	106	75.6 Å²	75.6	54%	0.544	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	101.9	178.8	-55.7	-178.9	0	0	0	106.1	L962 T976 V978	L962-I964 HydrophobicContact CD2-CD1 4.26Å; L962-I964 HydrophobicContact CD2-CG1 4.16Å; I964-T976 HydrophobicContact CG2-CG2 3.4Å; I964-V978 HydrophobicContact CG1-CG2 4.35Å
965	D	29.3	Very low	35.2	Very low	96 Å²	96	81 Å²	81	51%	0.513	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.4	178.2	-73.4	-36.2	0	0	0	109.8	V967 K977	D965-V967 HydrophobicContact CB-CG2 4.35Å; D965-K977 PolarHBondContact N-O 3.08Å; D965-K977 PolarHBondContact O-N 3.13Å
966	T	32.3	Very low	34.8	Very low	102 Å²	102	81 Å²	81	63%	0.626	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	114.6	169.3	-49.8	0	0	0	0	108.3	C974	T966-C974 HydrophobicContact CG2-CB 3.9Å
967	V	34.8	Very low	34.4	Very low	69 Å²	69	84.3 Å²	84.3	42%	0.418	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.6	-175.5	-158.6	0	0	0	0	109.2	D965 S969 E975 K977	D965-V967 HydrophobicContact CB-CG2 4.35Å; V967-S969 PolarHBondContact O-N 3.36Å; V967-E975 PolarHBondContact N-O 2.99Å; V967-E975 PolarHBondContact O-N 3.31Å; V967-E975 VanDerWaalsContact O-O 3.12Å; V967-K977 HydrophobicContact CG2-CB 3.76Å; V967-K977 HydrophobicContact CG2-CD 4.33Å
968	E	35.7	Very low	33.9	Very low	152 Å²	152	87.8 Å²	87.8	71%	0.71	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	117.3	174.8	-155.6	169.4	-152.4	0	0	109.1
969	S	43.1	Very low	33.6	Very low	40 Å²	40	86.5 Å²	86.5	28%	0.28	48%	0.478	S	S	.	.			trans	-73.2	155.1	176.6	72.4	0	0	0	0	110.8	V967 N971 G972 G973	V967-S969 PolarHBondContact O-N 3.36Å; S969-N971 PolarHBondContact O-N 2.91Å; S969-G972 PolarHBondContact O-N 3.14Å; S969-G973 VanDerWaalsContact CB-O 3.23Å; S969-G973 WeakPolarHBondContact CB-O 3.23Å; S969-G973 PolarHBondContact N-O 3.1Å; S969-G973 PolarHBondContact OG-N 3.05Å; S969-G973 PolarHBondContact OG-O 2.95Å
970	E	44.6	Very low	33.2	Very low	206 Å²	206	89 Å²	89	96%	0.963	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.5	-178.2	-62.7	-173.6	151.4	0	0	113.9	G972	E970-G972 VanDerWaalsContact C-N 3.32Å
971	N	48	Very low	33.1	Very low	160 Å²	160	93.7 Å²	93.7	86%	0.856	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	6.2	176.5	-63.8	-24.7	0	0	0	113.6	S969 G973	S969-N971 PolarHBondContact O-N 2.91Å; N971-G973 VanDerWaalsContact C-N 3.32Å; N971-G973 PolarHBondContact O-N 3.27Å
972	G	37.7	Very low	33.1	Very low	57 Å²	57	100.2 Å²	100.2	59%	0.588	55%	0.545	S	S	*	.	S	Bend	trans	78	8.7	179.9	0	0	0	0	0	115.2	S969 E970	S969-G972 PolarHBondContact O-N 3.14Å; E970-G972 VanDerWaalsContact C-N 3.32Å
973	G	31.1	Very low	33.4	Very low	36 Å²	36	98.7 Å²	98.7	37%	0.371	54%	0.538	S	S	.	.			trans	-96.7	139.5	170.2	0	0	0	0	0	111.2	S969 N971	S969-G973 VanDerWaalsContact CB-O 3.23Å; S969-G973 WeakPolarHBondContact CB-O 3.23Å; S969-G973 PolarHBondContact N-O 3.1Å; S969-G973 PolarHBondContact OG-N 3.05Å; S969-G973 PolarHBondContact OG-O 2.95Å; N971-G973 VanDerWaalsContact C-N 3.32Å; N971-G973 PolarHBondContact O-N 3.27Å
974	C	32.2	Very low	33.6	Very low	97 Å²	97	96.9 Å²	96.9	66%	0.655	54%	0.541	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	132.6	173.1	-54.9	0	0	0	0	110.8	T966	T966-C974 HydrophobicContact CG2-CB 3.9Å
975	E	28.6	Very low	33.9	Very low	139 Å²	139	96 Å²	96	65%	0.65	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	138	174.2	-167.3	174.7	-142	0	0	109.8	V967	V967-E975 PolarHBondContact N-O 2.99Å; V967-E975 PolarHBondContact O-N 3.31Å; V967-E975 VanDerWaalsContact O-O 3.12Å
976	T	31.8	Very low	34.1	Very low	89 Å²	89	98.2 Å²	98.2	55%	0.546	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	119.3	-178.7	-58.2	0	0	0	0	110	I964	I964-T976 HydrophobicContact CG2-CG2 3.4Å
977	K	27.7	Very low	34	Very low	137 Å²	137	96.4 Å²	96.4	60%	0.596	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	125	-178.8	-158.9	172.9	-170.5	173.7	0	110.6	D965 V967	D965-K977 PolarHBondContact N-O 3.08Å; D965-K977 PolarHBondContact O-N 3.13Å; V967-K977 HydrophobicContact CG2-CB 3.76Å; V967-K977 HydrophobicContact CG2-CD 4.33Å
978	V	29.9	Very low	33.8	Very low	85 Å²	85	102 Å²	102	52%	0.515	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102	128.5	-179.9	-178.5	0	0	0	0	109.4	L962 W963 I964	L962-V978 HydrophobicContact CD1-CG1 3.91Å; L962-V978 HydrophobicContact CD2-CG1 3.5Å; L962-V978 VanDerWaalsContact CD2-CG1 3.5Å; L962-V978 HydrophobicContact CG-CG1 3.57Å; W963-V978 WeakPolarHBondContact O-CA 3.29Å; I964-V978 HydrophobicContact CG1-CG2 4.35Å
979	T	29.8	Very low	33.4	Very low	62 Å²	62	101.3 Å²	101.3	38%	0.38	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	160.7	174.6	54.8	0	0	0	0	110	L962 W963	L962-T979 WeakPolarHBondContact CA-O 3.48Å; W963-T979 PolarHBondContact N-O 2.75Å; W963-T979 PolarHBondContact O-N 3.35Å
980	S	29.2	Very low	33	Very low	57 Å²	57	104.4 Å²	104.4	40%	0.399	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.7	124.2	-179	64.6	0	0	0	0	112.2	A961	A961-S980 VanDerWaalsContact O-CA 3.25Å; A961-S980 WeakPolarHBondContact O-CA 3.29Å
981	D	30.4	Very low	32.1	Very low	102 Å²	102	97.8 Å²	97.8	55%	0.545	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	151.4	179.6	-77.8	-42.8	0	0	0	112	S960 A961	S960-D981 CarbonylContact C-O 3.54Å; S960-D981 WeakPolarHBondContact CA-O 3.26Å; S960-D981 VanDerWaalsContact CB-O 3.26Å; S960-D981 WeakPolarHBondContact CB-O 3.16Å; A961-D981 PolarHBondContact N-O 2.84Å; A961-D981 PolarHBondContact O-N 2.63Å
982	Y	31.3	Very low	31.1	Very low	141 Å²	141	96.1 Å²	96.1	55%	0.553	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	135.1	-179.4	179.1	-99.4	0	0	0	112	L958 S959	L958-Y982 HydrophobicContact CB-CE2 4.47Å; L958-Y982 HydrophobicContact CD2-CE2 3.93Å; L958-Y982 VanDerWaalsContact CD2-OH 3.27Å; L958-Y982 WeakPolarHBondContact CD2-OH 3.27Å; S959-Y982 VanDerWaalsContact O-CD2 3.32Å; S959-Y982 WeakPolarHBondContact O-CD2 3.31Å
983	L	35.1	Very low	30.7	Very low	35 Å²	35	98.8 Å²	98.8	18%	0.183	52%	0.522	C	S	.	.			trans	-132.4	107.4	-173.5	-157.9	139.3	0	0	0	111	S959 A961 I985 Y992	S959-L983 PolarHBondContact O-N 2.95Å; S959-L983 PolarHBondContact OG-O 2.89Å; A961-L983 HydrophobicContact CB-CD1 4.22Å; L983-I985 HydrophobicContact CD2-CG1 3.89Å; L983-Y992 HydrophobicContact CD1-CE1 3.96Å
984	S	33.4	Very low	30.4	Very low	67 Å²	67	101 Å²	101	47%	0.469	52%	0.524	S	S	.	.			trans	-93.2	115.2	176.5	-178.1	0	0	0	0	111	Y986	S984-Y986 VanDerWaalsContact C-N 3.33Å
985	I	35.1	Very low	30.3	Very low	88 Å²	88	99.2 Å²	99.2	45%	0.451	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-17.7	-174.7	-60.3	175.1	0	0	0	112.2	L983	L983-I985 HydrophobicContact CD2-CG1 3.89Å
986	Y	34.3	Very low	30.2	Very low	141 Å²	141	98.7 Å²	98.7	55%	0.553	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	53.1	-178.5	-133.4	-83.6	0	0	0	113	N955 S984	N955-Y986 HydrophobicContact CB-CD2 4.21Å; N955-Y986 HydrophobicContact CB-CG 4.14Å; N955-Y986 WeakPolarHBondContact ND2-CD2 3.28Å; N955-Y986 VanDerWaalsContact ND2-CE2 3.28Å; N955-Y986 WeakPolarHBondContact ND2-CE2 3.16Å; N955-Y986 VanDerWaalsContact ND2-CG 3.33Å; N955-Y986 VanDerWaalsContact OD1-CD2 3.29Å; N955-Y986 WeakPolarHBondContact OD1-CD2 3.06Å; S984-Y986 VanDerWaalsContact C-N 3.33Å
987	S	29.3	Very low	30.1	Very low	65 Å²	65	100 Å²	100	46%	0.455	52%	0.516	S	S	.	.			trans	-61	127.7	144.1	157.3	0	0	0	0	107.3	Q989	S987-Q989 CarbonylContact O-C 3.49Å; S987-Q989 PolarHBondContact O-N 3.36Å; S987-Q989 VanDerWaalsContact O-O 3.09Å; S987-Q989 PolarHBondContact OG-N 3.26Å; S987-Q989 PolarHBondContact OG-O 2.99Å
988	E	32.4	Very low	30.3	Very low	185 Å²	185	100.9 Å²	100.9	86%	0.864	52%	0.523	S	S	*	.	S	Bend	trans	-64.8	2.9	178.5	-68.5	-170.1	136.3	0	0	114
989	Q	27.2	Very low	30.1	Very low	139 Å²	139	99.8 Å²	99.8	65%	0.65	53%	0.529	S	S	*	.	S	Bend	trans	-117.2	136.2	163.9	-65.9	176.6	1.9	0	0	108.9	S987 T991	S987-Q989 CarbonylContact O-C 3.49Å; S987-Q989 PolarHBondContact O-N 3.36Å; S987-Q989 VanDerWaalsContact O-O 3.09Å; S987-Q989 PolarHBondContact OG-N 3.26Å; S987-Q989 PolarHBondContact OG-O 2.99Å; Q989-T991 HydrophobicContact CB-CG2 4.49Å; Q989-T991 VanDerWaalsContact CB-OG1 3.3Å; Q989-T991 WeakPolarHBondContact CB-OG1 3.3Å; Q989-T991 PolarHBondContact O-N 3.07Å; Q989-T991 PolarHBondContact O-OG1 3.49Å
990	T	33.4	Very low	29.9	Very low	105 Å²	105	101.9 Å²	101.9	64%	0.644	55%	0.546	S	S	*	.			trans	-65.4	26.4	176	-25	0	0	0	0	113.2	Y992 I993 L994	T990-Y992 VanDerWaalsContact C-N 3.32Å; T990-Y992 PolarHBondContact O-N 3.04Å; T990-I993 PolarHBondContact O-N 2.77Å; T990-L994 PolarHBondContact O-N 2.87Å; T990-L994 VanDerWaalsContact O-N 3.07Å
991	T	26.6	Very low	29.8	Very low	66 Å²	66	114.1 Å²	114.1	41%	0.405	58%	0.584	S	S	.	*	H	α-helix	trans	-70.5	-19	-165.9	7.3	0	0	0	0	113.9	Q989 S995	Q989-T991 HydrophobicContact CB-CG2 4.49Å; Q989-T991 VanDerWaalsContact CB-OG1 3.3Å; Q989-T991 WeakPolarHBondContact CB-OG1 3.3Å; Q989-T991 PolarHBondContact O-N 3.07Å; Q989-T991 PolarHBondContact O-OG1 3.49Å; T991-S995 WeakPolarHBondContact O-CA 3.42Å; T991-S995 WeakPolarHBondContact O-CB 3.33Å; T991-S995 PolarHBondContact O-N 3.34Å; T991-S995 PolarHBondContact O-OG 2.89Å
992	Y	26.9	Very low	29.8	Very low	126 Å²	126	114.8 Å²	114.8	49%	0.494	59%	0.585	S	S	.	*	H	α-helix	trans	-77.7	-36.5	177.1	-157.8	-92.3	0	0	0	112.8	L983 T990 S995 L996	L983-Y992 HydrophobicContact CD1-CE1 3.96Å; T990-Y992 VanDerWaalsContact C-N 3.32Å; T990-Y992 PolarHBondContact O-N 3.04Å; Y992-S995 WeakPolarHBondContact CA-OG 3.49Å; Y992-S995 PolarHBondContact O-OG 3.43Å; Y992-S995 VanDerWaalsContact O-OG 3.04Å; Y992-L996 HydrophobicContact CD1-CD1 4.25Å; Y992-L996 HydrophobicContact CE1-CD1 4.05Å; Y992-L996 PolarHBondContact O-N 3.36Å
993	I	28	Very low	29.7	Very low	113 Å²	113	113.4 Å²	113.4	58%	0.579	59%	0.587	S	S	*	*	H	α-helix	trans	-76.5	-38.3	171.2	-63.5	178.1	0	0	0	109.8	T990 S995 L996 I997	T990-I993 PolarHBondContact O-N 2.77Å; I993-S995 PolarHBondContact O-N 3.3Å; I993-L996 PolarHBondContact O-N 2.77Å; I993-I997 HydrophobicContact CG2-CD1 3.91Å; I993-I997 VanDerWaalsContact O-CG1 3.3Å; I993-I997 WeakPolarHBondContact O-CG1 3.08Å; I993-I997 PolarHBondContact O-N 3.02Å
994	L	26.2	Very low	29.4	Very low	81 Å²	81	117.7 Å²	117.7	42%	0.424	61%	0.61	S	S	.	*	H	α-helix	trans	-68.1	-30	174.6	-79.7	166.7	0	0	0	113.6	T990 I997 Q998	T990-L994 PolarHBondContact O-N 2.87Å; T990-L994 VanDerWaalsContact O-N 3.07Å; L994-I997 PolarHBondContact O-N 3.45Å; L994-Q998 WeakPolarHBondContact O-CB 3.23Å; L994-Q998 WeakPolarHBondContact O-CG 3.46Å; L994-Q998 PolarHBondContact O-N 2.83Å
995	S	29.5	Very low	29.2	Very low	61 Å²	61	120.7 Å²	120.7	43%	0.427	62%	0.618	S	S	.	*	H	α-helix	trans	-73.5	-34.1	173.4	64.2	0	0	0	0	111.9	T991 Y992 I993 I997 Q998 G999	T991-S995 WeakPolarHBondContact O-CA 3.42Å; T991-S995 WeakPolarHBondContact O-CB 3.33Å; T991-S995 PolarHBondContact O-N 3.34Å; T991-S995 PolarHBondContact O-OG 2.89Å; Y992-S995 WeakPolarHBondContact CA-OG 3.49Å; Y992-S995 PolarHBondContact O-OG 3.43Å; Y992-S995 VanDerWaalsContact O-OG 3.04Å; I993-S995 PolarHBondContact O-N 3.3Å; S995-I997 VanDerWaalsContact C-N 3.31Å; S995-Q998 PolarHBondContact O-N 3.33Å; S995-G999 VanDerWaalsContact O-CA 3.23Å; S995-G999 WeakPolarHBondContact O-CA 3.3Å; S995-G999 PolarHBondContact O-N 2.76Å
996	L	27.1	Very low	28.8	Very low	128 Å²	128	122.8 Å²	122.8	67%	0.67	63%	0.628	S	S	*	*	H	α-helix	trans	-64.6	-34.6	167.9	-91.4	158	0	0	0	112.4	Y992 I993	Y992-L996 HydrophobicContact CD1-CD1 4.25Å; Y992-L996 HydrophobicContact CE1-CD1 4.05Å; Y992-L996 PolarHBondContact O-N 3.36Å; I993-L996 PolarHBondContact O-N 2.77Å
997	I	30	Very low	28.5	Very low	115 Å²	115	121.5 Å²	121.5	59%	0.59	63%	0.633	S	S	*	*	H	α-helix	trans	-76.8	-32.1	176.2	-68.6	167.6	0	0	0	112.5	I993 L994 S995	I993-I997 HydrophobicContact CG2-CD1 3.91Å; I993-I997 VanDerWaalsContact O-CG1 3.3Å; I993-I997 WeakPolarHBondContact O-CG1 3.08Å; I993-I997 PolarHBondContact O-N 3.02Å; L994-I997 PolarHBondContact O-N 3.45Å; S995-I997 VanDerWaalsContact C-N 3.31Å
998	Q	32.2	Very low	28.4	Very low	156 Å²	156	125.6 Å²	125.6	73%	0.729	65%	0.646	S	S	*	*	H	α-helix	trans	-99.3	-7	-178.7	-67	-172	-16.5	0	0	114.3	L994 S995 S1000	L994-Q998 WeakPolarHBondContact O-CB 3.23Å; L994-Q998 WeakPolarHBondContact O-CG 3.46Å; L994-Q998 PolarHBondContact O-N 2.83Å; S995-Q998 PolarHBondContact O-N 3.33Å; Q998-S1000 VanDerWaalsContact C-N 3.35Å; Q998-S1000 PolarHBondContact O-N 2.96Å
999	G	25.5	Very low	28.1	Very low	62 Å²	62	121 Å²	121	64%	0.639	63%	0.629	S	S	*	*			trans	-89.3	24.1	-174.7	0	0	0	0	0	116	S995	S995-G999 VanDerWaalsContact O-CA 3.23Å; S995-G999 WeakPolarHBondContact O-CA 3.3Å; S995-G999 PolarHBondContact O-N 2.76Å
1000	S	25.9	Very low	28.2	Very low	106 Å²	106	119.5 Å²	119.5	74%	0.741	63%	0.628	S	S	*	*			trans	-112.5	64.1	165.6	54	0	0	0	0	111.5	Q998	Q998-S1000 VanDerWaalsContact C-N 3.35Å; Q998-S1000 PolarHBondContact O-N 2.96Å
1001	R	26.7	Very low	27.7	Very low	315 Å²	315	120.8 Å²	120.8	100%	1.189	63%	0.626	S	S	*	*			trans	-146.3	0	153.2	-82.8	-158.7	173.8	-173	-1.6	110.7

Retrieved 1,001 of 1,001 residues in 160.1 ms (Link to these results)

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