A0A5K4FFL7_SCHMA Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FFL7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 881 aa.

						>A0A5K4FFL7_SCHMA|A0A5K4FFL7
MSEVAESVGRLCPICHDDIDYYAYGSCNHPTCTKCVLKLRKFGSADEPEFSQCPTCRQNINRVAIMRNFVPFDNIDVSLLRHDSKFDFMFPDVEIEQHYVNMLKSICPVCGEEKKSLSALNRHTTLEHQLSYCDLCIRYARLLPCEFVLMKPADLAKHRSWDKNKKKGHPLCDFCQERFYEMEDLITHIRDLHFLCDLCMTTGKFVVFRQQCELLDHYGESHHLCSECRAQQRISCFATEDRLGLHRFQEHPNEVANDPNSWLPISIRHVTSTDSAFRRRDQIFPDVYSVDGVVDASDGRLTSQDNPSVTYRRPNPSEWTGEDFPSLQSTRPVTTSSHSTTNESSSPQAPIQRLKESAASLTEREVNDTNNSVQNKRPITGGSWVSRVANINFTNKDRLTSEDFPSLTQSPNPSTGNPPTWVRSNASQLIQNPQTAMSTHLSFPTLGSNNHASASSSSPSSGWPKTSRNMSSEEQPKSTFPPSTSLQTPTPSDFPSLPTNSNPSHPNRTINLTSKSVLENKSKLFKTPAADVIKKKTEPLSASTGLKNTKKPKPRHSSRTINNESDEHGGMTLKDDSEKYTDDQSLLEKPQFTHIRTVDILNVNPQSSHQTNLINHEPLSLTNDFPCLSENKTNPDDDKIPKKLQNRQTKKKIIDTTVHQPEQQISTHTTSSVVNNTLKPEINSLIQIIKAIQFNDNMDIECLLYAKSQYIAPPDMETRNRELIRTVENDLFDKSGKTAFIRFADLSRRYRYKQINATAYLEGLVGLLNVNTVNDNDDSDDNIPYWIGPMISLLPDIGLQRALLRALQAQGSPRIPVDMQEALLKSGHQFKRNKIPILALPPWSKKVLKTMQTCQECGQVCLRIDLPTHMELAHSVSYEKK
					

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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	37.2	Very low	49.7	Very low	244 Å²	244	124.5 Å²	124.5	100%	1.202	71%	0.706	S	S	*	*				0	76.1	0	-67.8	178.3	108.4	0	0	107.4
2	S	41.6	Very low	53.2	Low	100 Å²	100	114.3 Å²	114.3	70%	0.699	65%	0.648	S	S	*	*			trans	-149.6	-4.6	-157.7	33.9	0	0	0	0	115
3	E	39.8	Very low	55.9	Low	176 Å²	176	110.8 Å²	110.8	82%	0.822	63%	0.632	S	S	*	*	S	Bend	trans	-105.6	-7.4	-174	-67.8	165	114.3	0	0	113.7	A5	E3-A5 PolarHBondContact O-N 3.5Å
4	V	41.1	Very low	58.2	Low	137 Å²	137	108 Å²	108	83%	0.83	61%	0.613	S	S	*	*	S	Bend	trans	-93.9	9.3	-169.6	-157.4	0	0	0	0	112.9
5	A	34.1	Very low	60.4	Low	83 Å²	83	103.7 Å²	103.7	69%	0.686	59%	0.592	S	S	*	*	S	Bend	trans	-113.2	-14.6	-173	0	0	0	0	0	115.3	E3	E3-A5 PolarHBondContact O-N 3.5Å
6	E	36	Very low	62.3	Low	143 Å²	143	105.9 Å²	105.9	67%	0.668	60%	0.595	S	S	*	*	S	Bend	trans	-95.6	-1.4	-171.8	-66.7	-166.7	131.8	0	0	115.2
7	S	38.3	Very low	63.9	Low	76 Å²	76	105.1 Å²	105.1	53%	0.531	59%	0.589	S	S	.	*	S	Bend	trans	-80.6	-30.5	-175.4	52.1	0	0	0	0	114.2	G9 R10	S7-G9 PolarHBondContact O-N 3.11Å; S7-G9 VanDerWaalsContact O-N 3.14Å; S7-R10 PolarHBondContact O-N 3.08Å
8	V	49	Very low	65.5	Low	134 Å²	134	105.3 Å²	105.3	81%	0.812	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-16.8	-170.3	-172.2	0	0	0	0	113.2
9	G	60.3	Low	66.8	Low	51 Å²	51	100.7 Å²	100.7	53%	0.526	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94	-1.4	-178.1	0	0	0	0	0	116.8	S7	S7-G9 PolarHBondContact O-N 3.11Å; S7-G9 VanDerWaalsContact O-N 3.14Å
10	R	78.3	Confident	68	Low	134 Å²	134	99.2 Å²	99.2	51%	0.506	55%	0.553	S	S	.	*	S	Bend	trans	-101	-14	-170.2	-61.4	-167.9	-173.5	-148	2.7	115.8	S7 I19	S7-R10 PolarHBondContact O-N 3.08Å; R10-I19 WeakPolarHBondContact O-CB 3.4Å; R10-I19 VanDerWaalsContact O-CG1 3.26Å; R10-I19 WeakPolarHBondContact O-CG1 3.37Å; R10-I19 PolarHBondContact O-N 2.63Å
11	L	90.8	Very high	69.1	Low	92 Å²	92	96.4 Å²	96.4	48%	0.482	54%	0.535	S	S	.	.	B	Isolated β-bridge	trans	-88.9	141.1	-176.9	-59	178.8	0	0	0	111.9
12	C	91.5	Very high	71.7	Confident	1 Å²	1	86.7 Å²	86.7	1%	0.007	49%	0.485	C	S	.	.			trans	-76.4	127.9	177.5	-179.6	0	0	0	0	111.1	I14 C15 H16 D17 I19 C32	C12-I14 PolarHBondContact O-N 2.98Å; C12-C15 VanDerWaalsContact CB-SG 3.59Å; C12-H16 VanDerWaalsContact O-CA 3.27Å; C12-H16 WeakPolarHBondContact O-CA 3.38Å; C12-H16 PolarHBondContact O-N 3.07Å; C12-D17 PolarHBondContact N-O 3.33Å; C12-I19 HydrophobicContact CB-CG1 3.94Å; C12-C32 HydrophobicContact CB-CB 3.97Å; C12-C32 PolarHBondContact SG-N 3.29Å
13	P	89.2	Confident	74.1	Confident	69 Å²	69	81.9 Å²	81.9	45%	0.448	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	10.3	-178.3	31.3	-37.5	0	0	0	114.9	P30 T31	P13-P30 WeakPolarHBondContact CD-O 3.25Å; P13-T31 HydrophobicContact CG-CG2 3.95Å
14	I	88	Confident	76.6	Confident	72 Å²	72	73.7 Å²	73.7	37%	0.369	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-44.8	-178.5	-59.6	164.9	0	0	0	111.6	C12 T31 C35 L39 P54	C12-I14 PolarHBondContact O-N 2.98Å; I14-T31 HydrophobicContact CD1-CG2 3.72Å; I14-T31 HydrophobicContact CG1-CG2 4.39Å; I14-C35 HydrophobicContact CB-CB 4.07Å; I14-C35 HydrophobicContact CD1-CB 3.68Å; I14-C35 HydrophobicContact CG1-CB 4.5Å; I14-C35 HydrophobicContact CG2-CB 4.05Å; I14-L39 HydrophobicContact CD1-CD1 4.08Å; I14-P54 HydrophobicContact CD1-CB 3.82Å; I14-P54 HydrophobicContact CD1-CG 3.74Å; I14-P54 HydrophobicContact CG1-CB 4.28Å
15	C	90.4	Very high	78.9	Confident	43 Å²	43	67.2 Å²	67.2	29%	0.291	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-11.7	-179.8	59	0	0	0	0	114	C12 D17 C32 C35	C12-C15 VanDerWaalsContact CB-SG 3.59Å; C15-D17 VanDerWaalsContact CB-OD2 3.31Å; C15-D17 WeakPolarHBondContact CB-OD2 3.49Å; C15-D17 PolarHBondContact O-N 3.13Å; C15-D17 VanDerWaalsContact O-N 3.14Å; C15-D17 PolarHBondContact SG-OD2 2.87Å; C15-C32 VanDerWaalsContact SG-SG 3.67Å; C15-C35 VanDerWaalsContact SG-SG 3.61Å
16	H	90.9	Very high	81.5	Confident	140 Å²	140	65.8 Å²	65.8	65%	0.648	36%	0.359	S	S	*	.			trans	60.7	7.4	-173.3	-56	-77.2	0	0	0	115.8	C12	C12-H16 VanDerWaalsContact O-CA 3.27Å; C12-H16 WeakPolarHBondContact O-CA 3.38Å; C12-H16 PolarHBondContact O-N 3.07Å
17	D	90.3	Very high	84.1	Confident	91 Å²	91	59.8 Å²	59.8	49%	0.487	33%	0.332	S	S	.	.	S	Bend	trans	-73.1	161.5	165.2	-51.9	-60	0	0	0	111.6	C12 C15	C12-D17 PolarHBondContact N-O 3.33Å; C15-D17 VanDerWaalsContact CB-OD2 3.31Å; C15-D17 WeakPolarHBondContact CB-OD2 3.49Å; C15-D17 PolarHBondContact O-N 3.13Å; C15-D17 VanDerWaalsContact O-N 3.14Å; C15-D17 PolarHBondContact SG-OD2 2.87Å
18	D	91.8	Very high	86.5	Confident	109 Å²	109	58.2 Å²	58.2	58%	0.583	32%	0.318	S	S	*	.	B	Isolated β-bridge	trans	-58.1	143.8	166.1	-75.4	-58.7	0	0	0	112.5	D20	D18-D20 PolarHBondContact O-N 3.18Å
19	I	90.6	Very high	88.5	Confident	19 Å²	19	55 Å²	55	10%	0.097	29%	0.294	C	S	.	.			trans	-79.5	109.1	179.1	-68.8	170	0	0	0	110.3	R10 C12 Y21 Y22 P30 C32	R10-I19 WeakPolarHBondContact O-CB 3.4Å; R10-I19 VanDerWaalsContact O-CG1 3.26Å; R10-I19 WeakPolarHBondContact O-CG1 3.37Å; R10-I19 PolarHBondContact O-N 2.63Å; C12-I19 HydrophobicContact CB-CG1 3.94Å; I19-Y21 VanDerWaalsContact CG2-O 3.27Å; I19-Y21 WeakPolarHBondContact CG2-O 3.19Å; I19-Y21 PolarHBondContact O-N 3.12Å; I19-Y22 HydrophobicContact CB-CE1 4.48Å; I19-Y22 HydrophobicContact CD1-CD1 4.14Å; I19-Y22 HydrophobicContact CD1-CE1 4.09Å; I19-Y22 HydrophobicContact CG2-CD1 3.84Å; I19-Y22 HydrophobicContact CG2-CD2 4.28Å; I19-Y22 HydrophobicContact CG2-CE1 4.12Å; I19-Y22 HydrophobicContact CG2-CG 3.91Å; I19-P30 HydrophobicContact CD1-CB 4.43Å; I19-C32 HydrophobicContact CB-CB 4.49Å; I19-C32 HydrophobicContact CG1-CB 4.23Å
20	D	90.4	Very high	89.9	Confident	70 Å²	70	54.4 Å²	54.4	37%	0.374	28%	0.281	S	S	.	.	S	Bend	trans	-60.7	-45.2	176	-41.7	-98.1	0	0	0	112	D18 K34	D18-D20 PolarHBondContact O-N 3.18Å; D20-K34 IonicContact OD1-NZ 3.68Å; D20-K34 PolarHBondContact OD1-NZ 2.99Å; D20-K34 IonicContact OD2-NZ 2.68Å; D20-K34 PolarHBondContact OD2-NZ 3.17Å
21	Y	92	Very high	90.6	Very high	40 Å²	40	48.2 Å²	48.2	16%	0.157	26%	0.258	C	S	.	.	S	Bend	trans	-148.1	141.2	172.2	-62	-89.6	0	0	0	108.4	I19 A23 T33 R67 I95 H98	I19-Y21 VanDerWaalsContact CG2-O 3.27Å; I19-Y21 WeakPolarHBondContact CG2-O 3.19Å; I19-Y21 PolarHBondContact O-N 3.12Å; Y21-A23 PolarHBondContact O-N 3.24Å; Y21-T33 HydrophobicContact CD2-CG2 4.36Å; Y21-R67 HydrophobicContact CD1-CB 4.34Å; Y21-R67 HydrophobicContact CE1-CB 4.45Å; Y21-I95 HydrophobicContact CD1-CD1 3.99Å; Y21-I95 HydrophobicContact CD1-CG1 3.77Å; Y21-I95 HydrophobicContact CD1-CG2 4.25Å; Y21-I95 HydrophobicContact CE1-CD1 4.17Å; Y21-I95 HydrophobicContact CE1-CG1 3.59Å; Y21-I95 HydrophobicContact CG-CG2 4.3Å; Y21-H98 AromaticContact CD2-CD2 3.63Å; Y21-H98 AromaticContact CD2-NE2 3.84Å; Y21-H98 HydrophobicContact CE2-CB 4.22Å; Y21-H98 AromaticContact CE2-CD2 3.55Å; Y21-H98 AromaticContact CE2-CG 3.73Å; Y21-H98 AromaticContact CE2-NE2 3.89Å
22	Y	92.2	Very high	90.7	Very high	40 Å²	40	43.9 Å²	43.9	16%	0.157	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	111.9	-176.9	-62.3	-93	0	0	0	110.1	I19 Y24 P30 I65 M66 R67 F69	I19-Y22 HydrophobicContact CB-CE1 4.48Å; I19-Y22 HydrophobicContact CD1-CD1 4.14Å; I19-Y22 HydrophobicContact CD1-CE1 4.09Å; I19-Y22 HydrophobicContact CG2-CD1 3.84Å; I19-Y22 HydrophobicContact CG2-CD2 4.28Å; I19-Y22 HydrophobicContact CG2-CE1 4.12Å; I19-Y22 HydrophobicContact CG2-CG 3.91Å; Y22-Y24 WeakPolarHBondContact O-CE1 3.28Å; Y22-P30 HydrophobicContact CD1-CB 3.92Å; Y22-I65 WeakPolarHBondContact O-CA 3.13Å; Y22-M66 PolarHBondContact N-O 2.99Å; Y22-M66 PolarHBondContact O-N 2.75Å; Y22-R67 WeakPolarHBondContact CD2-O 3.38Å; Y22-F69 HydrophobicContact CD1-CB 4.15Å; Y22-F69 HydrophobicContact CE1-CB 4.45Å; Y22-F69 HydrophobicContact CG-CB 4.28Å
23	A	91.8	Very high	90.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.4	173.2	0	0	0	0	0	110.2	Y21 T31 V36 V63 A64 I65	Y21-A23 PolarHBondContact O-N 3.24Å; A23-T31 PolarHBondContact N-O 3.25Å; A23-T31 PolarHBondContact O-N 3.29Å; A23-T31 PolarHBondContact O-OG1 2.69Å; A23-V36 HydrophobicContact CB-CB 4.34Å; A23-V36 HydrophobicContact CB-CG2 3.67Å; A23-V63 HydrophobicContact CB-CG1 4.16Å; A23-A64 WeakPolarHBondContact CA-O 3.31Å; A23-I65 HydrophobicContact CB-CG1 3.98Å
24	Y	91.4	Very high	90.8	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	163.7	-179.1	50.6	-84.5	0	0	0	112	Y22 H29 V63 A64 M66 F69 V70 I75	Y22-Y24 WeakPolarHBondContact O-CE1 3.28Å; Y24-H29 VanDerWaalsContact CB-O 3.27Å; Y24-H29 WeakPolarHBondContact CB-O 3.07Å; Y24-V63 CarbonylContact O-C 3.53Å; Y24-V63 WeakPolarHBondContact O-CA 3.32Å; Y24-A64 PolarHBondContact N-O 2.96Å; Y24-A64 PolarHBondContact O-N 3.06Å; Y24-M66 PolarHBondContact OH-SD 2.77Å; Y24-F69 HydrophobicContact CD1-CD2 4.11Å; Y24-F69 HydrophobicContact CD1-CE2 4.36Å; Y24-F69 AromaticContact CE1-CD2 3.96Å; Y24-F69 HydrophobicContact CE1-CD2 3.96Å; Y24-F69 HydrophobicContact CG-CE2 4.4Å; Y24-V70 WeakPolarHBondContact CE2-O 3.44Å; Y24-V70 VanDerWaalsContact CZ-O 3.29Å; Y24-V70 PolarHBondContact OH-N 3.32Å; Y24-V70 PolarHBondContact OH-O 3.01Å; Y24-I75 HydrophobicContact CE2-CD1 4.02Å
25	G	89.4	Confident	90.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.			trans	-113.8	-163.2	172.3	0	0	0	0	0	112.5	C27 N28 F72	G25-C27 PolarHBondContact O-N 3.44Å; G25-N28 PolarHBondContact O-N 3.08Å; G25-F72 VanDerWaalsContact C-CD2 3.46Å
26	S	88.8	Confident	90.8	Very high	54 Å²	54	39.3 Å²	39.3	38%	0.378	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-9.4	178.4	59.4	0	0	0	0	115.7
27	C	90.3	Very high	90.8	Very high	16 Å²	16	32.7 Å²	32.7	11%	0.108	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-0.6	172.7	72.5	0	0	0	0	113.6	G25 H29 C53 Q58	G25-C27 PolarHBondContact O-N 3.44Å; C27-H29 PolarHBondContact O-CE1 3.19Å; C27-H29 PolarHBondContact O-N 2.97Å; C27-H29 VanDerWaalsContact O-N 3.1Å; C27-H29 PolarHBondContact O-ND1 2.84Å; C27-H29 PolarHBondContact SG-ND1 2.91Å; C27-H29 VanDerWaalsContact SG-ND1 3.44Å; C27-C53 PolarHBondContact SG-SG 2.96Å; C27-Q58 VanDerWaalsContact CB-OE1 3.26Å
28	N	89.2	Confident	90.7	Very high	44 Å²	44	31.1 Å²	31.1	24%	0.235	16%	0.161	C	C	.	.			trans	57.7	23.8	174.7	-61.8	-41.4	0	0	0	116.3	G25 P30 F69 F72	G25-N28 PolarHBondContact O-N 3.08Å; N28-P30 WeakPolarHBondContact O-CD 3.49Å; N28-F69 HydrophobicContact CB-CZ 4.2Å; N28-F69 WeakPolarHBondContact O-CE2 3.37Å; N28-F69 WeakPolarHBondContact O-CZ 3.29Å; N28-F72 VanDerWaalsContact OD1-CB 3.25Å; N28-F72 WeakPolarHBondContact OD1-CB 3.44Å; N28-F72 PolarHBondContact OD1-N 2.85Å
29	H	89.9	Confident	90.4	Very high	65 Å²	65	29.7 Å²	29.7	30%	0.301	15%	0.153	S	C	.	.			trans	-93.1	112	176.6	-68.1	114.9	0	0	0	111.3	Y24 C27 T55 C56	Y24-H29 VanDerWaalsContact CB-O 3.27Å; Y24-H29 WeakPolarHBondContact CB-O 3.07Å; C27-H29 PolarHBondContact O-CE1 3.19Å; C27-H29 PolarHBondContact O-N 2.97Å; C27-H29 VanDerWaalsContact O-N 3.1Å; C27-H29 PolarHBondContact O-ND1 2.84Å; C27-H29 PolarHBondContact SG-ND1 2.91Å; C27-H29 VanDerWaalsContact SG-ND1 3.44Å; H29-T55 HydrophobicContact CB-CG2 4.37Å; H29-C56 VanDerWaalsContact CE1-CB 3.49Å; H29-C56 WeakPolarHBondContact CE1-CB 3.1Å; H29-C56 VanDerWaalsContact CE1-SG 3.56Å; H29-C56 PolarHBondContact ND1-SG 3.35Å
30	P	91.4	Very high	90.2	Very high	40 Å²	40	30.7 Å²	30.7	26%	0.26	16%	0.156	S	C	.	.			trans	-77.2	143.2	-175.3	30.7	-34.9	0	0	0	113.4	P13 I19 Y22 N28 F69	P13-P30 WeakPolarHBondContact CD-O 3.25Å; I19-P30 HydrophobicContact CD1-CB 4.43Å; Y22-P30 HydrophobicContact CD1-CB 3.92Å; N28-P30 WeakPolarHBondContact O-CD 3.49Å; P30-F69 HydrophobicContact CB-CD2 4.13Å; P30-F69 HydrophobicContact CB-CE2 4.28Å; P30-F69 HydrophobicContact CG-CD2 4.5Å; P30-F69 HydrophobicContact CG-CE2 4.37Å
31	T	91.7	Very high	89.9	Confident	4 Å²	4	30.3 Å²	30.3	3%	0.025	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	164	175	49.2	0	0	0	0	110.1	P13 I14 A23 V36 P54	P13-T31 HydrophobicContact CG-CG2 3.95Å; I14-T31 HydrophobicContact CD1-CG2 3.72Å; I14-T31 HydrophobicContact CG1-CG2 4.39Å; A23-T31 PolarHBondContact N-O 3.25Å; A23-T31 PolarHBondContact O-N 3.29Å; A23-T31 PolarHBondContact O-OG1 2.69Å; T31-V36 WeakPolarHBondContact OG1-CG2 3.2Å; T31-P54 HydrophobicContact CG2-CG 3.91Å
32	C	92.5	Very high	89.4	Confident	1 Å²	1	31 Å²	31	1%	0.007	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	153.3	174.2	75.2	0	0	0	0	112.3	C12 C15 I19 K34 C35 V36	C12-C32 HydrophobicContact CB-CB 3.97Å; C12-C32 PolarHBondContact SG-N 3.29Å; C15-C32 VanDerWaalsContact SG-SG 3.67Å; I19-C32 HydrophobicContact CB-CB 4.49Å; I19-C32 HydrophobicContact CG1-CB 4.23Å; C32-K34 VanDerWaalsContact C-N 3.31Å; C32-K34 PolarHBondContact O-N 3.42Å; C32-C35 PolarHBondContact O-N 3Å; C32-V36 PolarHBondContact O-N 3.35Å
33	T	91.3	Very high	88.4	Confident	4 Å²	4	31 Å²	31	3%	0.025	17%	0.167	C	C	.	.	H	α-helix	trans	-52.3	-46.1	178.1	51.7	0	0	0	0	112.9	Y21 C35 V36 L37 I65	Y21-T33 HydrophobicContact CD2-CG2 4.36Å; T33-C35 VanDerWaalsContact C-N 3.29Å; T33-C35 PolarHBondContact O-N 3.04Å; T33-V36 PolarHBondContact O-N 2.91Å; T33-L37 WeakPolarHBondContact O-CB 3.27Å; T33-L37 PolarHBondContact O-N 3.46Å; T33-I65 HydrophobicContact CG2-CD1 4.34Å; T33-I65 HydrophobicContact CG2-CG2 3.53Å
34	K	91.6	Very high	86.6	Confident	63 Å²	63	32.9 Å²	32.9	27%	0.274	18%	0.18	S	C	.	.	H	α-helix	trans	-55.1	-43.5	-179.1	-53.5	-173.5	-174	91.4	0	111.6	D20 C32 K38 M102	D20-K34 IonicContact OD1-NZ 3.68Å; D20-K34 PolarHBondContact OD1-NZ 2.99Å; D20-K34 IonicContact OD2-NZ 2.68Å; D20-K34 PolarHBondContact OD2-NZ 3.17Å; C32-K34 VanDerWaalsContact C-N 3.31Å; C32-K34 PolarHBondContact O-N 3.42Å; K34-K38 WeakPolarHBondContact O-CG 3.37Å; K34-K38 PolarHBondContact O-N 3.44Å; K34-M102 HydrophobicContact CG-SD 4.04Å
35	C	90.8	Very high	84.6	Confident	9 Å²	9	37.8 Å²	37.8	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-74.5	-46.7	-176.5	-72.6	0	0	0	0	113	I14 C15 C32 T33 L37 K38 L39	I14-C35 HydrophobicContact CB-CB 4.07Å; I14-C35 HydrophobicContact CD1-CB 3.68Å; I14-C35 HydrophobicContact CG1-CB 4.5Å; I14-C35 HydrophobicContact CG2-CB 4.05Å; C15-C35 VanDerWaalsContact SG-SG 3.61Å; C32-C35 PolarHBondContact O-N 3Å; T33-C35 VanDerWaalsContact C-N 3.29Å; T33-C35 PolarHBondContact O-N 3.04Å; C35-L37 VanDerWaalsContact C-N 3.28Å; C35-L37 PolarHBondContact O-N 3.3Å; C35-K38 PolarHBondContact O-N 2.89Å; C35-L39 WeakPolarHBondContact O-CG 3.45Å; C35-L39 PolarHBondContact O-N 2.84Å
36	V	89.3	Confident	82.7	Confident	12 Å²	12	43.4 Å²	43.4	7%	0.073	25%	0.252	C	S	.	.	H	α-helix	trans	-65.3	-36.4	177.1	-167.5	0	0	0	0	111.1	A23 T31 C32 T33 L39 R40 V63 F88	A23-V36 HydrophobicContact CB-CB 4.34Å; A23-V36 HydrophobicContact CB-CG2 3.67Å; T31-V36 WeakPolarHBondContact OG1-CG2 3.2Å; C32-V36 PolarHBondContact O-N 3.35Å; T33-V36 PolarHBondContact O-N 2.91Å; V36-L39 PolarHBondContact O-N 2.81Å; V36-R40 HydrophobicContact CG1-CG 4.45Å; V36-R40 PolarHBondContact O-N 3.09Å; V36-V63 HydrophobicContact CG1-CG1 4.36Å; V36-V63 HydrophobicContact CG1-CG2 4.24Å; V36-F88 HydrophobicContact CB-CE1 4.27Å; V36-F88 HydrophobicContact CG1-CE1 3.73Å; V36-F88 HydrophobicContact CG1-CZ 4.08Å
37	L	89.4	Confident	81.2	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-63.6	-40.9	174.6	-175.3	52.3	0	0	0	111.9	T33 C35 K41 F88 Y99 M102 L103 L143	T33-L37 WeakPolarHBondContact O-CB 3.27Å; T33-L37 PolarHBondContact O-N 3.46Å; C35-L37 VanDerWaalsContact C-N 3.28Å; C35-L37 PolarHBondContact O-N 3.3Å; L37-K41 WeakPolarHBondContact O-CB 3.5Å; L37-K41 PolarHBondContact O-N 3.15Å; L37-F88 HydrophobicContact CD1-CE2 3.87Å; L37-F88 HydrophobicContact CD1-CZ 4.39Å; L37-Y99 HydrophobicContact CD1-CD2 4.44Å; L37-Y99 HydrophobicContact CD1-CE2 3.77Å; L37-Y99 HydrophobicContact CD2-CD2 4.23Å; L37-Y99 HydrophobicContact CD2-CE2 4.28Å; L37-M102 HydrophobicContact CD2-CB 4.22Å; L37-M102 HydrophobicContact CD2-CE 4.47Å; L37-L103 HydrophobicContact CD1-CD1 4.35Å; L37-L103 HydrophobicContact CD1-CD2 4.08Å; L37-L103 HydrophobicContact CD1-CG 4.41Å; L37-L103 HydrophobicContact CD2-CD2 3.99Å; L37-L103 HydrophobicContact CD2-CG 4.08Å; L37-L103 HydrophobicContact CG-CD2 4.29Å; L37-L143 HydrophobicContact CB-CD1 4.46Å; L37-L143 HydrophobicContact CD2-CD1 3.94Å; L37-L143 HydrophobicContact CD2-CD2 4.14Å; L37-L143 HydrophobicContact CG-CD1 4.25Å; L37-L143 HydrophobicContact CG-CD2 3.89Å
38	K	88.6	Confident	79.5	Confident	59 Å²	59	49.4 Å²	49.4	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-61.2	-49.6	171.9	-79.2	173.9	-177.6	172.3	0	112.1	K34 C35 R40 K41 F42 L143 E146	K34-K38 WeakPolarHBondContact O-CG 3.37Å; K34-K38 PolarHBondContact O-N 3.44Å; C35-K38 PolarHBondContact O-N 2.89Å; K38-R40 PolarHBondContact O-N 2.81Å; K38-K41 PolarHBondContact O-N 2.8Å; K38-F42 HydrophobicContact CB-CD2 4.3Å; K38-F42 HydrophobicContact CG-CD2 4.32Å; K38-F42 HydrophobicContact CG-CE2 4.4Å; K38-F42 WeakPolarHBondContact O-CB 3.34Å; K38-F42 WeakPolarHBondContact O-CD2 3.16Å; K38-F42 PolarHBondContact O-N 2.95Å; K38-L143 HydrophobicContact CG-CD1 4.45Å; K38-L143 HydrophobicContact CG-CD2 4.2Å; K38-L143 HydrophobicContact CG-CG 4.09Å; K38-E146 WeakPolarHBondContact CE-OE1 3.5Å; K38-E146 WeakPolarHBondContact CE-OE2 3.19Å; K38-E146 VanDerWaalsContact NZ-CD 3.26Å; K38-E146 IonicContact NZ-OE1 2.74Å; K38-E146 PolarHBondContact NZ-OE1 2.87Å; K38-E146 IonicContact NZ-OE2 3Å; K38-E146 PolarHBondContact NZ-OE2 3.22Å; K38-E146 VanDerWaalsContact NZ-OE2 3.12Å
39	L	86.8	Confident	78	Confident	79 Å²	79	52.6 Å²	52.6	41%	0.414	29%	0.293	S	S	.	.	H	α-helix	trans	-57.1	-51.2	179.9	-70	170.1	0	0	0	111.4	I14 C35 V36 K41 G43 P54	I14-L39 HydrophobicContact CD1-CD1 4.08Å; C35-L39 WeakPolarHBondContact O-CG 3.45Å; C35-L39 PolarHBondContact O-N 2.84Å; V36-L39 PolarHBondContact O-N 2.81Å; L39-K41 VanDerWaalsContact C-N 3.34Å; L39-K41 PolarHBondContact O-N 3.02Å; L39-G43 PolarHBondContact O-N 2.89Å; L39-P54 HydrophobicContact CD1-CB 4.01Å; L39-P54 HydrophobicContact CD1-CG 4.09Å
40	R	85.5	Confident	76.9	Confident	40 Å²	40	55.3 Å²	55.3	15%	0.151	30%	0.304	C	S	.	.	H	α-helix	trans	-73.2	-19	-179.8	-72.5	-172.2	161.6	-163.4	-8.2	114.7	V36 K38 I60 N61 F86 D87 F88	V36-R40 HydrophobicContact CG1-CG 4.45Å; V36-R40 PolarHBondContact O-N 3.09Å; K38-R40 PolarHBondContact O-N 2.81Å; R40-I60 PolarHBondContact NH2-O 3.43Å; R40-N61 PolarHBondContact NH2-O 3.44Å; R40-F86 HydrophobicContact CB-CD1 4.42Å; R40-F86 WeakPolarHBondContact CD-O 3.23Å; R40-F86 PolarHBondContact NH1-O 2.93Å; R40-D87 VanDerWaalsContact NH1-C 3.32Å; R40-D87 PolarHBondContact NH1-O 3.02Å; R40-F88 HydrophobicContact CB-CZ 4.31Å; R40-F88 HydrophobicContact CG-CZ 4.46Å
41	K	84.1	Confident	75.9	Confident	62 Å²	62	54 Å²	54	27%	0.27	30%	0.296	S	S	.	.	H	α-helix	trans	-93.1	-33.1	178.4	-176.4	-175.2	170.6	-164.2	0	113.9	L37 K38 L39 F86 L103 L143	L37-K41 WeakPolarHBondContact O-CB 3.5Å; L37-K41 PolarHBondContact O-N 3.15Å; K38-K41 PolarHBondContact O-N 2.8Å; L39-K41 VanDerWaalsContact C-N 3.34Å; L39-K41 PolarHBondContact O-N 3.02Å; K41-F86 HydrophobicContact CB-CE1 4.14Å; K41-F86 HydrophobicContact CG-CE1 4.39Å; K41-F86 HydrophobicContact CG-CZ 4.45Å; K41-L103 HydrophobicContact CD-CD2 4.08Å; K41-L143 HydrophobicContact CD-CD2 3.88Å
42	F	81	Confident	75.6	Confident	54 Å²	54	56.3 Å²	56.3	24%	0.237	31%	0.307	C	S	.	.	H	α-helix	trans	-113.4	-1.5	-173.2	-62.2	-64.3	0	0	0	114.2	K38 S44 R141 L142 L143	K38-F42 HydrophobicContact CB-CD2 4.3Å; K38-F42 HydrophobicContact CG-CD2 4.32Å; K38-F42 HydrophobicContact CG-CE2 4.4Å; K38-F42 WeakPolarHBondContact O-CB 3.34Å; K38-F42 WeakPolarHBondContact O-CD2 3.16Å; K38-F42 PolarHBondContact O-N 2.95Å; F42-S44 PolarHBondContact O-N 3.43Å; F42-R141 HydrophobicContact CB-CB 4.12Å; F42-R141 HydrophobicContact CB-CG 4.07Å; F42-R141 HydrophobicContact CD1-CB 4.25Å; F42-R141 HydrophobicContact CD1-CG 4.27Å; F42-R141 HydrophobicContact CD2-CB 3.92Å; F42-R141 HydrophobicContact CE2-CB 4.39Å; F42-R141 WeakPolarHBondContact CE2-O 3.43Å; F42-R141 HydrophobicContact CG-CB 3.85Å; F42-R141 HydrophobicContact CG-CG 4.11Å; F42-L142 VanDerWaalsContact CZ-O 3.22Å; F42-L142 WeakPolarHBondContact CZ-O 3.48Å; F42-L143 HydrophobicContact CE2-CD2 4.19Å
43	G	70.8	Confident	75.3	Confident	41 Å²	41	56.4 Å²	56.4	42%	0.423	31%	0.307	S	S	.	.			trans	-59.4	123.6	164.9	0	0	0	0	0	110.9	L39	L39-G43 PolarHBondContact O-N 2.89Å
44	S	54	Low	74.9	Confident	39 Å²	39	59.2 Å²	59.2	27%	0.273	33%	0.325	S	S	.	.			trans	-76.5	149.1	175.3	32.2	0	0	0	0	111.1	F42 D46 E47	F42-S44 PolarHBondContact O-N 3.43Å; S44-D46 PolarHBondContact O-N 3.1Å; S44-D46 VanDerWaalsContact O-N 3.17Å; S44-E47 PolarHBondContact O-N 3.16Å; S44-E47 VanDerWaalsContact O-O 3.08Å; S44-E47 WeakPolarHBondContact OG-CG 3.4Å
45	A	49.6	Very low	74.7	Confident	107 Å²	107	59.7 Å²	59.7	88%	0.884	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.2	173.2	0	0	0	0	0	113	E47	A45-E47 VanDerWaalsContact C-N 3.31Å
46	D	49.8	Very low	74.6	Confident	118 Å²	118	61.8 Å²	61.8	63%	0.631	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-10.6	174.3	-44.8	-84.1	0	0	0	112.9	S44	S44-D46 PolarHBondContact O-N 3.1Å; S44-D46 VanDerWaalsContact O-N 3.17Å
47	E	57.6	Low	74.5	Confident	110 Å²	110	69.8 Å²	69.8	51%	0.514	38%	0.377	S	S	.	.	S	Bend	trans	-115.4	114.5	178.2	-71.4	-66.2	174	0	0	111.4	S44 A45 E49	S44-E47 PolarHBondContact O-N 3.16Å; S44-E47 VanDerWaalsContact O-O 3.08Å; S44-E47 WeakPolarHBondContact OG-CG 3.4Å; A45-E47 VanDerWaalsContact C-N 3.31Å; E47-E49 PolarHBondContact O-N 2.73Å
48	P	54.2	Low	74.2	Confident	85 Å²	85	74.6 Å²	74.6	55%	0.552	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	11.8	-171.5	31.4	-36.2	0	0	0	115.1	Q52	P48-Q52 PolarHBondContact O-NE2 2.84Å
49	E	59.2	Low	74	Confident	111 Å²	111	75.8 Å²	75.8	52%	0.519	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-6.2	-179.3	-61.7	-164.4	154.7	0	0	114.2	E47 S51 Q52	E47-E49 PolarHBondContact O-N 2.73Å; E49-S51 PolarHBondContact O-N 3.42Å; E49-Q52 PolarHBondContact O-N 3.28Å
50	F	65.5	Low	73.9	Confident	122 Å²	122	72.4 Å²	72.4	54%	0.535	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-23.5	-176	69.6	-89.9	0	0	0	115.3
51	S	71.8	Confident	73.7	Confident	12 Å²	12	75.5 Å²	75.5	8%	0.084	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	20	177.4	52.6	0	0	0	0	113	E49 N59 I60	E49-S51 PolarHBondContact O-N 3.42Å; S51-N59 WeakPolarHBondContact CB-ND2 3.37Å; S51-N59 CarbonylContact O-C 3.35Å; S51-N59 VanDerWaalsContact O-CA 3.26Å; S51-N59 WeakPolarHBondContact O-CA 3.48Å; S51-N59 PolarHBondContact O-ND2 3.17Å; S51-N59 PolarHBondContact OG-ND2 3.33Å; S51-N59 PolarHBondContact OG-OD1 2.9Å; S51-I60 CarbonylContact O-C 3.55Å; S51-I60 WeakPolarHBondContact O-CA 3.46Å; S51-I60 PolarHBondContact O-N 3.14Å; S51-I60 VanDerWaalsContact O-O 3.11Å
52	Q	83.6	Confident	73.8	Confident	54 Å²	54	79 Å²	79	25%	0.252	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-99.4	151.6	179	-67	-176.8	41.4	0	0	112.8	P48 E49 R57 Q58	P48-Q52 PolarHBondContact O-NE2 2.84Å; E49-Q52 PolarHBondContact O-N 3.28Å; Q52-R57 PolarHBondContact OE1-O 3.4Å; Q52-Q58 CarbonylContact C-O 3.07Å
53	C	86.4	Confident	74.1	Confident	3 Å²	3	76.7 Å²	76.7	2%	0.02	41%	0.412	C	S	.	.			trans	-69.3	127.7	169.9	-178.5	0	0	0	0	110.5	C27 T55 C56 R57 Q58 I60	C27-C53 PolarHBondContact SG-SG 2.96Å; C53-T55 PolarHBondContact O-N 3.35Å; C53-T55 PolarHBondContact SG-N 3.48Å; C53-T55 VanDerWaalsContact SG-N 3.38Å; C53-C56 VanDerWaalsContact CB-SG 3.52Å; C53-C56 PolarHBondContact SG-N 2.84Å; C53-R57 WeakPolarHBondContact O-CA 3.5Å; C53-R57 PolarHBondContact O-N 2.86Å; C53-Q58 PolarHBondContact N-O 3.08Å; C53-I60 HydrophobicContact CB-CD1 3.65Å; C53-I60 HydrophobicContact CB-CG1 4.13Å
54	P	84.4	Confident	75.1	Confident	62 Å²	62	74.7 Å²	74.7	40%	0.403	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24	176.4	24.6	-32.9	0	0	0	113.3	I14 T31 L39	I14-P54 HydrophobicContact CD1-CB 3.82Å; I14-P54 HydrophobicContact CD1-CG 3.74Å; I14-P54 HydrophobicContact CG1-CB 4.28Å; T31-P54 HydrophobicContact CG2-CG 3.91Å; L39-P54 HydrophobicContact CD1-CB 4.01Å; L39-P54 HydrophobicContact CD1-CG 4.09Å
55	T	86.2	Confident	77	Confident	73 Å²	73	73 Å²	73	45%	0.448	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-47.4	-179.3	-47.2	0	0	0	0	113.1	H29 C53	H29-T55 HydrophobicContact CB-CG2 4.37Å; C53-T55 PolarHBondContact O-N 3.35Å; C53-T55 PolarHBondContact SG-N 3.48Å; C53-T55 VanDerWaalsContact SG-N 3.38Å
56	C	89.4	Confident	78.9	Confident	54 Å²	54	69.3 Å²	69.3	37%	0.365	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	2.5	-174.1	70.6	0	0	0	0	115.6	H29 C53 Q58	H29-C56 VanDerWaalsContact CE1-CB 3.49Å; H29-C56 WeakPolarHBondContact CE1-CB 3.1Å; H29-C56 VanDerWaalsContact CE1-SG 3.56Å; H29-C56 PolarHBondContact ND1-SG 3.35Å; C53-C56 VanDerWaalsContact CB-SG 3.52Å; C53-C56 PolarHBondContact SG-N 2.84Å; C56-Q58 PolarHBondContact O-N 2.93Å; C56-Q58 VanDerWaalsContact SG-CB 3.56Å
57	R	85.8	Confident	80.8	Confident	180 Å²	180	69.2 Å²	69.2	68%	0.679	34%	0.335	S	S	*	.			trans	58.3	3.8	-178.3	-57.1	-175.7	-177	-176.2	-2.4	116.4	Q52 C53	Q52-R57 PolarHBondContact OE1-O 3.4Å; C53-R57 WeakPolarHBondContact O-CA 3.5Å; C53-R57 PolarHBondContact O-N 2.86Å
58	Q	84.5	Confident	82.3	Confident	102 Å²	102	69.3 Å²	69.3	48%	0.477	34%	0.339	S	S	.	.			trans	-62.8	141.7	173.1	-173.5	177.9	2.1	0	0	111.2	C27 Q52 C53 C56 I60	C27-Q58 VanDerWaalsContact CB-OE1 3.26Å; Q52-Q58 CarbonylContact C-O 3.07Å; C53-Q58 PolarHBondContact N-O 3.08Å; C56-Q58 PolarHBondContact O-N 2.93Å; C56-Q58 VanDerWaalsContact SG-CB 3.56Å; Q58-I60 PolarHBondContact O-N 3.1Å; Q58-I60 VanDerWaalsContact O-N 3.13Å
59	N	84.9	Confident	83.8	Confident	83 Å²	83	69.6 Å²	69.6	44%	0.444	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-73.8	105.3	-176.9	-137.6	83.2	0	0	0	112.2	S51 N61	S51-N59 WeakPolarHBondContact CB-ND2 3.37Å; S51-N59 CarbonylContact O-C 3.35Å; S51-N59 VanDerWaalsContact O-CA 3.26Å; S51-N59 WeakPolarHBondContact O-CA 3.48Å; S51-N59 PolarHBondContact O-ND2 3.17Å; S51-N59 PolarHBondContact OG-ND2 3.33Å; S51-N59 PolarHBondContact OG-OD1 2.9Å; N59-N61 PolarHBondContact ND2-OD1 3.39Å; N59-N61 VanDerWaalsContact ND2-OD1 3.09Å
60	I	83.8	Confident	85.1	Confident	9 Å²	9	66.3 Å²	66.3	5%	0.046	32%	0.319	C	S	.	.			trans	-92.8	106.3	171.8	-55.9	170.5	0	0	0	109.6	R40 S51 C53 Q58 R62 V63	R40-I60 PolarHBondContact NH2-O 3.43Å; S51-I60 CarbonylContact O-C 3.55Å; S51-I60 WeakPolarHBondContact O-CA 3.46Å; S51-I60 PolarHBondContact O-N 3.14Å; S51-I60 VanDerWaalsContact O-O 3.11Å; C53-I60 HydrophobicContact CB-CD1 3.65Å; C53-I60 HydrophobicContact CB-CG1 4.13Å; Q58-I60 PolarHBondContact O-N 3.1Å; Q58-I60 VanDerWaalsContact O-N 3.13Å; I60-R62 WeakPolarHBondContact CG2-O 3.21Å; I60-V63 HydrophobicContact CG2-CG2 3.64Å
61	N	81.2	Confident	86.2	Confident	105 Å²	105	63.1 Å²	63.1	56%	0.561	31%	0.311	S	S	*	.	S	Bend	trans	-77.3	-44.9	171.2	-63.3	-7.1	0	0	0	111.3	R40 N59 D87	R40-N61 PolarHBondContact NH2-O 3.44Å; N59-N61 PolarHBondContact ND2-OD1 3.39Å; N59-N61 VanDerWaalsContact ND2-OD1 3.09Å; N61-D87 VanDerWaalsContact O-CB 3.24Å; N61-D87 WeakPolarHBondContact O-CB 3.43Å
62	R	85.5	Confident	86.8	Confident	135 Å²	135	63.9 Å²	63.9	51%	0.509	31%	0.313	S	S	.	.			trans	-112.4	132.1	-179.4	-63.3	-179	-178	-179.8	1.4	111.8	I60 V77 M89	I60-R62 WeakPolarHBondContact CG2-O 3.21Å; R62-V77 VanDerWaalsContact NH1-CG1 3.34Å; R62-M89 HydrophobicContact CB-CE 3.88Å; R62-M89 HydrophobicContact CB-SD 3.85Å; R62-M89 HydrophobicContact CG-SD 4.2Å
63	V	88.8	Confident	86.9	Confident	5 Å²	5	67.3 Å²	67.3	3%	0.03	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.5	174.9	168.4	0	0	0	0	109.5	A23 Y24 V36 I60 I65 D87 F88 M89	A23-V63 HydrophobicContact CB-CG1 4.16Å; Y24-V63 CarbonylContact O-C 3.53Å; Y24-V63 WeakPolarHBondContact O-CA 3.32Å; V36-V63 HydrophobicContact CG1-CG1 4.36Å; V36-V63 HydrophobicContact CG1-CG2 4.24Å; I60-V63 HydrophobicContact CG2-CG2 3.64Å; V63-I65 HydrophobicContact CG1-CG1 4.21Å; V63-D87 PolarHBondContact N-O 3.18Å; V63-F88 HydrophobicContact CB-CD1 3.85Å; V63-F88 HydrophobicContact CB-CE1 4.07Å; V63-F88 HydrophobicContact CG1-CD1 3.79Å; V63-F88 HydrophobicContact CG1-CE1 3.9Å; V63-F88 CarbonylContact O-C 2.93Å; V63-F88 WeakPolarHBondContact O-CA 3.33Å; V63-M89 PolarHBondContact O-N 2.72Å
64	A	91.8	Very high	86.8	Confident	0 Å²	0	73 Å²	73	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	140.7	165.9	0	0	0	0	0	109.5	A23 Y24 M66 F72 I75 M89	A23-A64 WeakPolarHBondContact CA-O 3.31Å; Y24-A64 PolarHBondContact N-O 2.96Å; Y24-A64 PolarHBondContact O-N 3.06Å; A64-M66 HydrophobicContact CB-CG 4.45Å; A64-F72 HydrophobicContact CB-CD2 4.41Å; A64-F72 HydrophobicContact CB-CE2 4.33Å; A64-I75 HydrophobicContact CB-CD1 3.93Å; A64-M89 HydrophobicContact CB-CE 4.15Å
65	I	92.1	Very high	86.7	Confident	4 Å²	4	71 Å²	71	2%	0.021	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	117.7	170.4	-58	178	0	0	0	107.7	Y22 A23 T33 V63 F88 M89 F90 P91 I95	Y22-I65 WeakPolarHBondContact O-CA 3.13Å; A23-I65 HydrophobicContact CB-CG1 3.98Å; T33-I65 HydrophobicContact CG2-CD1 4.34Å; T33-I65 HydrophobicContact CG2-CG2 3.53Å; V63-I65 HydrophobicContact CG1-CG1 4.21Å; I65-F88 HydrophobicContact CD1-CB 4.3Å; I65-F88 HydrophobicContact CD1-CD1 3.55Å; I65-F88 HydrophobicContact CD1-CE1 4.03Å; I65-F88 HydrophobicContact CD1-CG 3.99Å; I65-F88 HydrophobicContact CG1-CD1 4.09Å; I65-M89 PolarHBondContact N-O 2.75Å; I65-F90 HydrophobicContact CB-CD1 4.32Å; I65-F90 HydrophobicContact CB-CE1 4.38Å; I65-F90 HydrophobicContact CD1-CE1 3.88Å; I65-P91 WeakPolarHBondContact O-CD 3.5Å; I65-I95 HydrophobicContact CB-CG2 4.1Å; I65-I95 HydrophobicContact CG2-CG2 3.47Å; I65-I95 VanDerWaalsContact CG2-CG2 3.47Å
66	M	90.4	Very high	86.5	Confident	29 Å²	29	71.6 Å²	71.6	14%	0.143	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	151.1	-171.1	-63.7	-169.1	67.1	0	0	112.8	Y22 Y24 A64 N68 V70 I75 P91	Y22-M66 PolarHBondContact N-O 2.99Å; Y22-M66 PolarHBondContact O-N 2.75Å; Y24-M66 PolarHBondContact OH-SD 2.77Å; A64-M66 HydrophobicContact CB-CG 4.45Å; M66-N68 VanDerWaalsContact C-N 3.34Å; M66-N68 VanDerWaalsContact CB-O 3.26Å; M66-N68 WeakPolarHBondContact CB-O 3.44Å; M66-V70 HydrophobicContact CE-CB 4.25Å; M66-V70 HydrophobicContact CE-CG2 3.89Å; M66-V70 HydrophobicContact SD-CB 4.31Å; M66-I75 HydrophobicContact SD-CD1 3.46Å; M66-I75 WeakPolarHBondContact SD-CD1 3.39Å; M66-I75 HydrophobicContact SD-CG1 3.99Å; M66-P91 HydrophobicContact CE-CG 4.47Å; M66-P91 HydrophobicContact CG-CG 4.15Å
67	R	90.6	Very high	86	Confident	116 Å²	116	70.7 Å²	70.7	44%	0.438	34%	0.342	S	S	.	.	S	Bend	trans	-63.8	-36.8	174.8	176.5	167.8	-80.2	148.4	-4.4	112.9	Y21 Y22 E94 I95	Y21-R67 HydrophobicContact CD1-CB 4.34Å; Y21-R67 HydrophobicContact CE1-CB 4.45Å; Y22-R67 WeakPolarHBondContact CD2-O 3.38Å; R67-E94 IonicContact CZ-OE2 2.7Å; R67-E94 IonicContact NH1-OE2 2.88Å; R67-E94 PolarHBondContact NH1-OE2 3.42Å; R67-E94 IonicContact NH2-OE2 2.66Å; R67-E94 PolarHBondContact NH2-OE2 3.26Å; R67-I95 HydrophobicContact CB-CD1 4.4Å
68	N	87.5	Confident	85.6	Confident	111 Å²	111	67.1 Å²	67.1	59%	0.594	35%	0.345	S	S	*	.	S	Bend	trans	-120.9	154.7	174.9	-63.6	-15.1	0	0	0	110	M66	M66-N68 VanDerWaalsContact C-N 3.34Å; M66-N68 VanDerWaalsContact CB-O 3.26Å; M66-N68 WeakPolarHBondContact CB-O 3.44Å
69	F	87.3	Confident	85.4	Confident	91 Å²	91	68.8 Å²	68.8	40%	0.399	36%	0.356	S	S	.	.			trans	-72.3	127	170.2	-177.3	-99.8	0	0	0	110.7	Y22 Y24 N28 P30	Y22-F69 HydrophobicContact CD1-CB 4.15Å; Y22-F69 HydrophobicContact CE1-CB 4.45Å; Y22-F69 HydrophobicContact CG-CB 4.28Å; Y24-F69 HydrophobicContact CD1-CD2 4.11Å; Y24-F69 HydrophobicContact CD1-CE2 4.36Å; Y24-F69 AromaticContact CE1-CD2 3.96Å; Y24-F69 HydrophobicContact CE1-CD2 3.96Å; Y24-F69 HydrophobicContact CG-CE2 4.4Å; N28-F69 HydrophobicContact CB-CZ 4.2Å; N28-F69 WeakPolarHBondContact O-CE2 3.37Å; N28-F69 WeakPolarHBondContact O-CZ 3.29Å; P30-F69 HydrophobicContact CB-CD2 4.13Å; P30-F69 HydrophobicContact CB-CE2 4.28Å; P30-F69 HydrophobicContact CG-CD2 4.5Å; P30-F69 HydrophobicContact CG-CE2 4.37Å
70	V	86.6	Confident	85.3	Confident	43 Å²	43	66.1 Å²	66.1	26%	0.261	34%	0.342	S	S	.	.			trans	-137.9	128.9	177.2	179.4	0	0	0	0	106.7	Y24 M66 F72 N74 I75	Y24-V70 WeakPolarHBondContact CE2-O 3.44Å; Y24-V70 VanDerWaalsContact CZ-O 3.29Å; Y24-V70 PolarHBondContact OH-N 3.32Å; Y24-V70 PolarHBondContact OH-O 3.01Å; M66-V70 HydrophobicContact CE-CB 4.25Å; M66-V70 HydrophobicContact CE-CG2 3.89Å; M66-V70 HydrophobicContact SD-CB 4.31Å; V70-F72 PolarHBondContact O-N 2.89Å; V70-N74 HydrophobicContact CG1-CB 4.07Å; V70-I75 HydrophobicContact CB-CG1 4.48Å; V70-I75 HydrophobicContact CG1-CG1 4.18Å
71	P	86.8	Confident	85.4	Confident	54 Å²	54	69.8 Å²	69.8	35%	0.351	36%	0.355	S	S	.	.			trans	-53.9	133	176.6	-27	35.3	0	0	0	111.3	D73 N74	P71-D73 PolarHBondContact O-N 3.14Å; P71-D73 VanDerWaalsContact O-N 3.11Å; P71-N74 WeakPolarHBondContact O-CB 3.23Å; P71-N74 PolarHBondContact O-N 3.33Å
72	F	85.4	Confident	85.6	Confident	29 Å²	29	69.3 Å²	69.3	13%	0.127	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-56.9	-33	-169.6	-171.1	-86.5	0	0	0	113	G25 N28 A64 V70 N74 I75 V77 M89	G25-F72 VanDerWaalsContact C-CD2 3.46Å; N28-F72 VanDerWaalsContact OD1-CB 3.25Å; N28-F72 WeakPolarHBondContact OD1-CB 3.44Å; N28-F72 PolarHBondContact OD1-N 2.85Å; A64-F72 HydrophobicContact CB-CD2 4.41Å; A64-F72 HydrophobicContact CB-CE2 4.33Å; V70-F72 PolarHBondContact O-N 2.89Å; F72-N74 PolarHBondContact O-N 2.95Å; F72-I75 HydrophobicContact CD2-CD1 4.37Å; F72-I75 WeakPolarHBondContact O-CB 3.28Å; F72-I75 PolarHBondContact O-N 3.13Å; F72-I75 VanDerWaalsContact O-N 3.12Å; F72-V77 HydrophobicContact CE1-CG2 4.26Å; F72-V77 HydrophobicContact CZ-CG2 4.24Å; F72-M89 HydrophobicContact CE2-CE 3.79Å; F72-M89 HydrophobicContact CZ-CE 3.89Å
73	D	85.1	Confident	85.6	Confident	126 Å²	126	64.6 Å²	64.6	67%	0.674	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-67.6	-18.8	177.9	-46.6	-70.8	0	0	0	113.5	P71	P71-D73 PolarHBondContact O-N 3.14Å; P71-D73 VanDerWaalsContact O-N 3.11Å
74	N	84.2	Confident	85.2	Confident	122 Å²	122	69 Å²	69	65%	0.652	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-93	0.4	175.3	-63.2	-23.1	0	0	0	112.9	V70 P71 F72	V70-N74 HydrophobicContact CG1-CB 4.07Å; P71-N74 WeakPolarHBondContact O-CB 3.23Å; P71-N74 PolarHBondContact O-N 3.33Å; F72-N74 PolarHBondContact O-N 2.95Å
75	I	83.3	Confident	84.7	Confident	19 Å²	19	76.4 Å²	76.4	10%	0.097	40%	0.397	C	S	.	.	S	Bend	trans	-94.1	120	178	-53.2	173.9	0	0	0	108.5	Y24 A64 M66 V70 F72 V77 L80	Y24-I75 HydrophobicContact CE2-CD1 4.02Å; A64-I75 HydrophobicContact CB-CD1 3.93Å; M66-I75 HydrophobicContact SD-CD1 3.46Å; M66-I75 WeakPolarHBondContact SD-CD1 3.39Å; M66-I75 HydrophobicContact SD-CG1 3.99Å; V70-I75 HydrophobicContact CB-CG1 4.48Å; V70-I75 HydrophobicContact CG1-CG1 4.18Å; F72-I75 HydrophobicContact CD2-CD1 4.37Å; F72-I75 WeakPolarHBondContact O-CB 3.28Å; F72-I75 PolarHBondContact O-N 3.13Å; F72-I75 VanDerWaalsContact O-N 3.12Å; I75-V77 VanDerWaalsContact C-N 3.28Å; I75-V77 PolarHBondContact O-N 3.37Å; I75-L80 HydrophobicContact CG2-CD1 3.58Å; I75-L80 HydrophobicContact CG2-CD2 4.02Å; I75-L80 HydrophobicContact CG2-CG 4.49Å
76	D	81.9	Confident	84.2	Confident	87 Å²	87	77.7 Å²	77.7	47%	0.465	40%	0.403	S	S	.	.			trans	-72.9	89.4	165.6	-173.6	0.8	0	0	0	110	S78 L79 L80	D76-S78 PolarHBondContact O-N 3.44Å; D76-S78 WeakPolarHBondContact OD1-CB 3.34Å; D76-S78 PolarHBondContact OD1-N 3.09Å; D76-S78 PolarHBondContact OD1-OG 3.14Å; D76-L79 HydrophobicContact CB-CD1 4.13Å; D76-L79 HydrophobicContact CB-CG 4.3Å; D76-L79 PolarHBondContact O-N 3.24Å; D76-L79 WeakPolarHBondContact OD2-CG 3.36Å; D76-L80 VanDerWaalsContact O-CD1 3.25Å; D76-L80 WeakPolarHBondContact O-CD1 3.39Å
77	V	78.4	Confident	83.9	Confident	34 Å²	34	79.3 Å²	79.3	21%	0.206	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-22.1	176.8	176.2	0	0	0	0	112.7	R62 F72 I75 L79 M89	R62-V77 VanDerWaalsContact NH1-CG1 3.34Å; F72-V77 HydrophobicContact CE1-CG2 4.26Å; F72-V77 HydrophobicContact CZ-CG2 4.24Å; I75-V77 VanDerWaalsContact C-N 3.28Å; I75-V77 PolarHBondContact O-N 3.37Å; V77-L79 VanDerWaalsContact C-N 3.3Å; V77-L79 PolarHBondContact O-N 3.48Å; V77-M89 HydrophobicContact CG1-CE 4.1Å; V77-M89 HydrophobicContact CG1-SD 3.63Å; V77-M89 HydrophobicContact CG2-CE 4.25Å
78	S	77.6	Confident	83.9	Confident	106 Å²	106	73.9 Å²	73.9	74%	0.741	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-22	179.3	-34.7	0	0	0	0	113.6	D76	D76-S78 PolarHBondContact O-N 3.44Å; D76-S78 WeakPolarHBondContact OD1-CB 3.34Å; D76-S78 PolarHBondContact OD1-N 3.09Å; D76-S78 PolarHBondContact OD1-OG 3.14Å
79	L	79.8	Confident	84.1	Confident	136 Å²	136	68.8 Å²	68.8	71%	0.712	36%	0.364	S	S	*	.	S	Bend	trans	-99.1	-11.2	-174.8	-60	177.6	0	0	0	113.6	D76 V77	D76-L79 HydrophobicContact CB-CD1 4.13Å; D76-L79 HydrophobicContact CB-CG 4.3Å; D76-L79 PolarHBondContact O-N 3.24Å; D76-L79 WeakPolarHBondContact OD2-CG 3.36Å; V77-L79 VanDerWaalsContact C-N 3.3Å; V77-L79 PolarHBondContact O-N 3.48Å
80	L	82.9	Confident	84.2	Confident	28 Å²	28	64.5 Å²	64.5	15%	0.147	35%	0.346	C	S	.	.	S	Bend	trans	-81.8	144.4	179.5	-79.6	71.5	0	0	0	110.9	I75 D76 M89 P91	I75-L80 HydrophobicContact CG2-CD1 3.58Å; I75-L80 HydrophobicContact CG2-CD2 4.02Å; I75-L80 HydrophobicContact CG2-CG 4.49Å; D76-L80 VanDerWaalsContact O-CD1 3.25Å; D76-L80 WeakPolarHBondContact O-CD1 3.39Å; L80-M89 HydrophobicContact CB-CB 4.12Å; L80-M89 HydrophobicContact CD2-CB 3.83Å; L80-P91 HydrophobicContact CG-CB 4.44Å
81	R	85.8	Confident	84.3	Confident	85 Å²	85	64.1 Å²	64.1	32%	0.321	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	140.6	169.5	-69.7	175.7	-53	-56.5	-24.1	109.3	M89 F90 P91 D92 V93 E96	R81-M89 CarbonylContact O-C 3.52Å; R81-M89 VanDerWaalsContact O-CA 3.3Å; R81-M89 WeakPolarHBondContact O-CA 3.27Å; R81-F90 PolarHBondContact N-O 3.08Å; R81-F90 PolarHBondContact NH2-O 3Å; R81-F90 PolarHBondContact O-N 2.8Å; R81-P91 PolarHBondContact NH1-O 3.47Å; R81-P91 PolarHBondContact NH2-O 3.11Å; R81-D92 PolarHBondContact NH2-O 2.96Å; R81-D92 VanDerWaalsContact NH2-O 3.14Å; R81-V93 VanDerWaalsContact NH2-N 3.2Å; R81-E96 IonicContact CZ-OE2 3.32Å; R81-E96 IonicContact NE-OE2 3.01Å; R81-E96 PolarHBondContact NE-OE2 3.28Å; R81-E96 IonicContact NH2-OE2 2.69Å; R81-E96 PolarHBondContact NH2-OE2 3.46Å
82	H	86.1	Confident	84.4	Confident	96 Å²	96	64.6 Å²	64.6	44%	0.444	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.5	-169.9	168.8	-119.7	0	0	0	111	D87 F88	H82-D87 IonicContact CD2-OD1 2.74Å; H82-D87 IonicContact CE1-OD1 3.15Å; H82-D87 PolarHBondContact CE1-OD1 2.95Å; H82-D87 IonicContact NE2-OD1 3.59Å; H82-D87 PolarHBondContact NE2-OD1 2.83Å; H82-F88 WeakPolarHBondContact CA-O 3.44Å; H82-F88 PolarHBondContact CD2-O 3.27Å
83	D	84.9	Confident	84.6	Confident	35 Å²	35	66.9 Å²	66.9	19%	0.187	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	110.5	165.2	170.2	40.4	0	0	0	110.1	K85 F86 D87 F88 F90 Y99	D83-K85 PolarHBondContact O-N 3.06Å; D83-K85 VanDerWaalsContact OD1-CB 3.3Å; D83-K85 WeakPolarHBondContact OD1-CB 3.41Å; D83-K85 PolarHBondContact OD1-N 3Å; D83-F86 WeakPolarHBondContact OD2-CD2 3.44Å; D83-F86 PolarHBondContact OD2-N 3.19Å; D83-F86 VanDerWaalsContact OD2-N 3.13Å; D83-D87 VanDerWaalsContact O-CA 3.32Å; D83-D87 WeakPolarHBondContact O-CA 3.26Å; D83-D87 PolarHBondContact O-N 3.45Å; D83-F88 PolarHBondContact N-O 2.76Å; D83-F90 HydrophobicContact CB-CE2 4.17Å; D83-Y99 PolarHBondContact OD2-OH 2.93Å
84	S	81	Confident	84.9	Confident	99 Å²	99	66 Å²	66	69%	0.692	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-11.5	177.3	60.2	0	0	0	0	114.6
85	K	80.7	Confident	85.2	Confident	154 Å²	154	60.1 Å²	60.1	67%	0.67	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-34.1	-179.4	-173.4	178.8	173	-176.4	0	113.2	D83	D83-K85 PolarHBondContact O-N 3.06Å; D83-K85 VanDerWaalsContact OD1-CB 3.3Å; D83-K85 WeakPolarHBondContact OD1-CB 3.41Å; D83-K85 PolarHBondContact OD1-N 3Å
86	F	81.9	Confident	85.6	Confident	32 Å²	32	62.1 Å²	62.1	14%	0.14	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.5	13	-178.2	-59.8	-82.5	0	0	0	113.8	R40 K41 D83 F88 Y99 L103	R40-F86 HydrophobicContact CB-CD1 4.42Å; R40-F86 WeakPolarHBondContact CD-O 3.23Å; R40-F86 PolarHBondContact NH1-O 2.93Å; K41-F86 HydrophobicContact CB-CE1 4.14Å; K41-F86 HydrophobicContact CG-CE1 4.39Å; K41-F86 HydrophobicContact CG-CZ 4.45Å; D83-F86 WeakPolarHBondContact OD2-CD2 3.44Å; D83-F86 PolarHBondContact OD2-N 3.19Å; D83-F86 VanDerWaalsContact OD2-N 3.13Å; F86-F88 VanDerWaalsContact C-N 3.29Å; F86-F88 HydrophobicContact CB-CD2 3.53Å; F86-F88 HydrophobicContact CB-CE2 3.47Å; F86-F88 VanDerWaalsContact CB-CE2 3.47Å; F86-F88 HydrophobicContact CG-CE2 4.26Å; F86-F88 PolarHBondContact O-N 2.84Å; F86-Y99 WeakPolarHBondContact CD2-OH 3.1Å; F86-L103 HydrophobicContact CE2-CD1 3.92Å
87	D	85.1	Confident	86	Confident	63 Å²	63	63.4 Å²	63.4	34%	0.337	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	41.8	179.6	-79	-54.2	0	0	0	114.7	R40 N61 V63 H82 D83	R40-D87 VanDerWaalsContact NH1-C 3.32Å; R40-D87 PolarHBondContact NH1-O 3.02Å; N61-D87 VanDerWaalsContact O-CB 3.24Å; N61-D87 WeakPolarHBondContact O-CB 3.43Å; V63-D87 PolarHBondContact N-O 3.18Å; H82-D87 IonicContact CD2-OD1 2.74Å; H82-D87 IonicContact CE1-OD1 3.15Å; H82-D87 PolarHBondContact CE1-OD1 2.95Å; H82-D87 IonicContact NE2-OD1 3.59Å; H82-D87 PolarHBondContact NE2-OD1 2.83Å; D83-D87 VanDerWaalsContact O-CA 3.32Å; D83-D87 WeakPolarHBondContact O-CA 3.26Å; D83-D87 PolarHBondContact O-N 3.45Å
88	F	89.9	Confident	86.6	Confident	1 Å²	1	64.3 Å²	64.3	0%	0.004	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	147.8	170.2	-68	-61.5	0	0	0	111.4	V36 L37 R40 V63 I65 H82 D83 F86 F90 Y99	V36-F88 HydrophobicContact CB-CE1 4.27Å; V36-F88 HydrophobicContact CG1-CE1 3.73Å; V36-F88 HydrophobicContact CG1-CZ 4.08Å; L37-F88 HydrophobicContact CD1-CE2 3.87Å; L37-F88 HydrophobicContact CD1-CZ 4.39Å; R40-F88 HydrophobicContact CB-CZ 4.31Å; R40-F88 HydrophobicContact CG-CZ 4.46Å; V63-F88 HydrophobicContact CB-CD1 3.85Å; V63-F88 HydrophobicContact CB-CE1 4.07Å; V63-F88 HydrophobicContact CG1-CD1 3.79Å; V63-F88 HydrophobicContact CG1-CE1 3.9Å; V63-F88 CarbonylContact O-C 2.93Å; V63-F88 WeakPolarHBondContact O-CA 3.33Å; I65-F88 HydrophobicContact CD1-CB 4.3Å; I65-F88 HydrophobicContact CD1-CD1 3.55Å; I65-F88 HydrophobicContact CD1-CE1 4.03Å; I65-F88 HydrophobicContact CD1-CG 3.99Å; I65-F88 HydrophobicContact CG1-CD1 4.09Å; H82-F88 WeakPolarHBondContact CA-O 3.44Å; H82-F88 PolarHBondContact CD2-O 3.27Å; D83-F88 PolarHBondContact N-O 2.76Å; F86-F88 VanDerWaalsContact C-N 3.29Å; F86-F88 HydrophobicContact CB-CD2 3.53Å; F86-F88 HydrophobicContact CB-CE2 3.47Å; F86-F88 VanDerWaalsContact CB-CE2 3.47Å; F86-F88 HydrophobicContact CG-CE2 4.26Å; F86-F88 PolarHBondContact O-N 2.84Å; F88-F90 HydrophobicContact CB-CE1 4.27Å; F88-F90 HydrophobicContact CB-CE2 3.89Å; F88-F90 HydrophobicContact CB-CZ 3.53Å; F88-F90 HydrophobicContact CG-CZ 4.44Å; F88-Y99 HydrophobicContact CD2-CD2 4.27Å; F88-Y99 AromaticContact CD2-CE2 3.57Å; F88-Y99 HydrophobicContact CD2-CE2 3.57Å; F88-Y99 AromaticContact CE2-CE2 3.85Å; F88-Y99 HydrophobicContact CE2-CE2 3.85Å; F88-Y99 HydrophobicContact CG-CE2 4.49Å
89	M	90.8	Very high	87.2	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.02	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.7	-178.2	-51.1	-176.3	-54.6	0	0	110.7	R62 V63 A64 I65 F72 V77 L80 R81	R62-M89 HydrophobicContact CB-CE 3.88Å; R62-M89 HydrophobicContact CB-SD 3.85Å; R62-M89 HydrophobicContact CG-SD 4.2Å; V63-M89 PolarHBondContact O-N 2.72Å; A64-M89 HydrophobicContact CB-CE 4.15Å; I65-M89 PolarHBondContact N-O 2.75Å; F72-M89 HydrophobicContact CE2-CE 3.79Å; F72-M89 HydrophobicContact CZ-CE 3.89Å; V77-M89 HydrophobicContact CG1-CE 4.1Å; V77-M89 HydrophobicContact CG1-SD 3.63Å; V77-M89 HydrophobicContact CG2-CE 4.25Å; L80-M89 HydrophobicContact CB-CB 4.12Å; L80-M89 HydrophobicContact CD2-CB 3.83Å; R81-M89 CarbonylContact O-C 3.52Å; R81-M89 VanDerWaalsContact O-CA 3.3Å; R81-M89 WeakPolarHBondContact O-CA 3.27Å
90	F	90.9	Very high	87.7	Confident	2 Å²	2	56 Å²	56	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.7	-169.9	-49.3	-82.1	0	0	0	111.2	I65 R81 D83 F88 I95 E96 Y99	I65-F90 HydrophobicContact CB-CD1 4.32Å; I65-F90 HydrophobicContact CB-CE1 4.38Å; I65-F90 HydrophobicContact CD1-CE1 3.88Å; R81-F90 PolarHBondContact N-O 3.08Å; R81-F90 PolarHBondContact NH2-O 3Å; R81-F90 PolarHBondContact O-N 2.8Å; D83-F90 HydrophobicContact CB-CE2 4.17Å; F88-F90 HydrophobicContact CB-CE1 4.27Å; F88-F90 HydrophobicContact CB-CE2 3.89Å; F88-F90 HydrophobicContact CB-CZ 3.53Å; F88-F90 HydrophobicContact CG-CZ 4.44Å; F90-I95 HydrophobicContact CD1-CB 4.39Å; F90-I95 HydrophobicContact CD1-CG2 3.88Å; F90-I95 HydrophobicContact CE1-CG2 4.5Å; F90-E96 HydrophobicContact CB-CB 4.08Å; F90-E96 HydrophobicContact CD1-CB 4.2Å; F90-E96 HydrophobicContact CD2-CB 4.11Å; F90-E96 HydrophobicContact CD2-CG 4Å; F90-E96 HydrophobicContact CE2-CG 4.32Å; F90-E96 HydrophobicContact CG-CB 3.87Å; F90-E96 HydrophobicContact CG-CG 4.29Å; F90-Y99 AromaticContact CE1-CD1 4Å; F90-Y99 HydrophobicContact CE1-CD1 4Å; F90-Y99 HydrophobicContact CE1-CD2 4.43Å; F90-Y99 AromaticContact CE1-CG 3.77Å; F90-Y99 HydrophobicContact CE1-CG 3.77Å; F90-Y99 HydrophobicContact CE2-CD1 4.14Å; F90-Y99 HydrophobicContact CE2-CE1 4.45Å; F90-Y99 AromaticContact CZ-CD1 3.37Å; F90-Y99 HydrophobicContact CZ-CD1 3.37Å; F90-Y99 HydrophobicContact CZ-CD2 4.12Å; F90-Y99 AromaticContact CZ-CE1 3.91Å; F90-Y99 HydrophobicContact CZ-CE1 3.91Å; F90-Y99 AromaticContact CZ-CG 3.53Å; F90-Y99 HydrophobicContact CZ-CG 3.53Å
91	P	87.9	Confident	88.1	Confident	35 Å²	35	58.5 Å²	58.5	23%	0.227	30%	0.297	C	S	.	.	S	Bend	trans	-74.2	-53.9	168.3	28.7	-29.9	0	0	0	110.2	I65 M66 L80 R81 I95	I65-P91 WeakPolarHBondContact O-CD 3.5Å; M66-P91 HydrophobicContact CE-CG 4.47Å; M66-P91 HydrophobicContact CG-CG 4.15Å; L80-P91 HydrophobicContact CG-CB 4.44Å; R81-P91 PolarHBondContact NH1-O 3.47Å; R81-P91 PolarHBondContact NH2-O 3.11Å; P91-I95 HydrophobicContact CG-CD1 4.02Å
92	D	87.9	Confident	88.2	Confident	64 Å²	64	55 Å²	55	34%	0.342	28%	0.284	S	S	.	.	S	Bend	trans	-99.6	142.7	-171.7	-53	-49.4	0	0	0	112.6	R81 E94 I95 E96	R81-D92 PolarHBondContact NH2-O 2.96Å; R81-D92 VanDerWaalsContact NH2-O 3.14Å; D92-E94 PolarHBondContact O-N 3.36Å; D92-I95 HydrophobicContact CB-CD1 4.06Å; D92-I95 HydrophobicContact CB-CG1 4.06Å; D92-I95 PolarHBondContact O-N 2.75Å; D92-E96 PolarHBondContact O-N 3.01Å
93	V	90	Very high	88.4	Confident	77 Å²	77	52.6 Å²	52.6	47%	0.467	27%	0.274	S	S	.	.	H	α-helix	trans	-65.4	-27.8	179.7	-179.2	0	0	0	0	111	R81 I95 E96 Q97	R81-V93 VanDerWaalsContact NH2-N 3.2Å; V93-I95 VanDerWaalsContact C-N 3.34Å; V93-I95 PolarHBondContact O-N 3.36Å; V93-E96 PolarHBondContact O-N 3.13Å; V93-Q97 HydrophobicContact CG1-CG 4.27Å; V93-Q97 WeakPolarHBondContact O-CB 3.26Å; V93-Q97 VanDerWaalsContact O-CG 3.27Å; V93-Q97 WeakPolarHBondContact O-CG 3.37Å; V93-Q97 PolarHBondContact O-N 3.2Å
94	E	91.9	Very high	88.7	Confident	106 Å²	106	54 Å²	54	50%	0.495	28%	0.279	S	S	.	.	H	α-helix	trans	-61.3	-40	175.2	-58.7	175.6	161.9	0	0	112.3	R67 D92 H98	R67-E94 IonicContact CZ-OE2 2.7Å; R67-E94 IonicContact NH1-OE2 2.88Å; R67-E94 PolarHBondContact NH1-OE2 3.42Å; R67-E94 IonicContact NH2-OE2 2.66Å; R67-E94 PolarHBondContact NH2-OE2 3.26Å; D92-E94 PolarHBondContact O-N 3.36Å; E94-H98 WeakPolarHBondContact O-CB 3.48Å; E94-H98 PolarHBondContact O-N 3Å
95	I	91.3	Very high	89.1	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-71.6	-42.7	-179.7	-55.7	175.5	0	0	0	109.9	Y21 I65 R67 F90 P91 D92 V93 H98 Y99	Y21-I95 HydrophobicContact CD1-CD1 3.99Å; Y21-I95 HydrophobicContact CD1-CG1 3.77Å; Y21-I95 HydrophobicContact CD1-CG2 4.25Å; Y21-I95 HydrophobicContact CE1-CD1 4.17Å; Y21-I95 HydrophobicContact CE1-CG1 3.59Å; Y21-I95 HydrophobicContact CG-CG2 4.3Å; I65-I95 HydrophobicContact CB-CG2 4.1Å; I65-I95 HydrophobicContact CG2-CG2 3.47Å; I65-I95 VanDerWaalsContact CG2-CG2 3.47Å; R67-I95 HydrophobicContact CB-CD1 4.4Å; F90-I95 HydrophobicContact CD1-CB 4.39Å; F90-I95 HydrophobicContact CD1-CG2 3.88Å; F90-I95 HydrophobicContact CE1-CG2 4.5Å; P91-I95 HydrophobicContact CG-CD1 4.02Å; D92-I95 HydrophobicContact CB-CD1 4.06Å; D92-I95 HydrophobicContact CB-CG1 4.06Å; D92-I95 PolarHBondContact O-N 2.75Å; V93-I95 VanDerWaalsContact C-N 3.34Å; V93-I95 PolarHBondContact O-N 3.36Å; I95-H98 PolarHBondContact O-N 2.9Å; I95-Y99 WeakPolarHBondContact O-CB 3.49Å; I95-Y99 PolarHBondContact O-N 3.39Å
96	E	90.8	Very high	89.5	Confident	61 Å²	61	45.6 Å²	45.6	29%	0.285	23%	0.233	S	C	.	.	H	α-helix	trans	-61.7	-43.7	174.7	-174.4	-178.7	167.6	0	0	111.5	R81 F90 D92 V93 Y99 V100	R81-E96 IonicContact CZ-OE2 3.32Å; R81-E96 IonicContact NE-OE2 3.01Å; R81-E96 PolarHBondContact NE-OE2 3.28Å; R81-E96 IonicContact NH2-OE2 2.69Å; R81-E96 PolarHBondContact NH2-OE2 3.46Å; F90-E96 HydrophobicContact CB-CB 4.08Å; F90-E96 HydrophobicContact CD1-CB 4.2Å; F90-E96 HydrophobicContact CD2-CB 4.11Å; F90-E96 HydrophobicContact CD2-CG 4Å; F90-E96 HydrophobicContact CE2-CG 4.32Å; F90-E96 HydrophobicContact CG-CB 3.87Å; F90-E96 HydrophobicContact CG-CG 4.29Å; D92-E96 PolarHBondContact O-N 3.01Å; V93-E96 PolarHBondContact O-N 3.13Å; E96-Y99 PolarHBondContact O-N 2.89Å; E96-V100 WeakPolarHBondContact O-CB 3.38Å; E96-V100 WeakPolarHBondContact O-CG2 3.33Å; E96-V100 PolarHBondContact O-N 3.48Å
97	Q	91	Very high	90	Very high	114 Å²	114	44.1 Å²	44.1	53%	0.533	23%	0.227	S	C	.	.	H	α-helix	trans	-63.5	-43.8	174	-75.3	177.2	9.8	0	0	112.3	V93 Y99 V100 N101	V93-Q97 HydrophobicContact CG1-CG 4.27Å; V93-Q97 WeakPolarHBondContact O-CB 3.26Å; V93-Q97 VanDerWaalsContact O-CG 3.27Å; V93-Q97 WeakPolarHBondContact O-CG 3.37Å; V93-Q97 PolarHBondContact O-N 3.2Å; Q97-Y99 PolarHBondContact O-N 2.85Å; Q97-V100 PolarHBondContact O-N 2.83Å; Q97-N101 VanDerWaalsContact O-CB 3.28Å; Q97-N101 WeakPolarHBondContact O-CB 3.31Å; Q97-N101 PolarHBondContact O-N 3.41Å; Q97-N101 PolarHBondContact O-ND2 2.83Å
98	H	90.4	Very high	90.1	Very high	53 Å²	53	45.7 Å²	45.7	25%	0.245	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-45.9	175	171.6	83.5	0	0	0	111.5	Y21 E94 I95 N101 M102	Y21-H98 AromaticContact CD2-CD2 3.63Å; Y21-H98 AromaticContact CD2-NE2 3.84Å; Y21-H98 HydrophobicContact CE2-CB 4.22Å; Y21-H98 AromaticContact CE2-CD2 3.55Å; Y21-H98 AromaticContact CE2-CG 3.73Å; Y21-H98 AromaticContact CE2-NE2 3.89Å; E94-H98 WeakPolarHBondContact O-CB 3.48Å; E94-H98 PolarHBondContact O-N 3Å; I95-H98 PolarHBondContact O-N 2.9Å; H98-N101 PolarHBondContact O-N 3.3Å; H98-M102 WeakPolarHBondContact NE2-CE 3.44Å; H98-M102 PolarHBondContact O-N 2.92Å; H98-M102 VanDerWaalsContact O-N 3.16Å
99	Y	90.9	Very high	90.1	Very high	12 Å²	12	49.6 Å²	49.6	5%	0.047	27%	0.265	C	S	.	.	H	α-helix	trans	-58.5	-49.8	173.5	157.4	-96.7	0	0	0	112.7	L37 D83 F86 F88 F90 I95 E96 Q97 N101 M102 L103	L37-Y99 HydrophobicContact CD1-CD2 4.44Å; L37-Y99 HydrophobicContact CD1-CE2 3.77Å; L37-Y99 HydrophobicContact CD2-CD2 4.23Å; L37-Y99 HydrophobicContact CD2-CE2 4.28Å; D83-Y99 PolarHBondContact OD2-OH 2.93Å; F86-Y99 WeakPolarHBondContact CD2-OH 3.1Å; F88-Y99 HydrophobicContact CD2-CD2 4.27Å; F88-Y99 AromaticContact CD2-CE2 3.57Å; F88-Y99 HydrophobicContact CD2-CE2 3.57Å; F88-Y99 AromaticContact CE2-CE2 3.85Å; F88-Y99 HydrophobicContact CE2-CE2 3.85Å; F88-Y99 HydrophobicContact CG-CE2 4.49Å; F90-Y99 AromaticContact CE1-CD1 4Å; F90-Y99 HydrophobicContact CE1-CD1 4Å; F90-Y99 HydrophobicContact CE1-CD2 4.43Å; F90-Y99 AromaticContact CE1-CG 3.77Å; F90-Y99 HydrophobicContact CE1-CG 3.77Å; F90-Y99 HydrophobicContact CE2-CD1 4.14Å; F90-Y99 HydrophobicContact CE2-CE1 4.45Å; F90-Y99 AromaticContact CZ-CD1 3.37Å; F90-Y99 HydrophobicContact CZ-CD1 3.37Å; F90-Y99 HydrophobicContact CZ-CD2 4.12Å; F90-Y99 AromaticContact CZ-CE1 3.91Å; F90-Y99 HydrophobicContact CZ-CE1 3.91Å; F90-Y99 AromaticContact CZ-CG 3.53Å; F90-Y99 HydrophobicContact CZ-CG 3.53Å; I95-Y99 WeakPolarHBondContact O-CB 3.49Å; I95-Y99 PolarHBondContact O-N 3.39Å; E96-Y99 PolarHBondContact O-N 2.89Å; Q97-Y99 PolarHBondContact O-N 2.85Å; Y99-N101 VanDerWaalsContact C-N 3.33Å; Y99-N101 PolarHBondContact O-N 3.49Å; Y99-M102 PolarHBondContact O-N 2.88Å; Y99-L103 HydrophobicContact CE1-CD1 4.34Å; Y99-L103 HydrophobicContact CE2-CD1 3.9Å; Y99-L103 PolarHBondContact O-N 2.77Å; Y99-L103 VanDerWaalsContact OH-CD1 3.29Å; Y99-L103 WeakPolarHBondContact OH-CD1 3.38Å
100	V	90.4	Very high	90.2	Very high	56 Å²	56	52.3 Å²	52.3	34%	0.339	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-42.3	178.3	166.3	0	0	0	0	110.9	E96 Q97 M102 L103 K104	E96-V100 WeakPolarHBondContact O-CB 3.38Å; E96-V100 WeakPolarHBondContact O-CG2 3.33Å; E96-V100 PolarHBondContact O-N 3.48Å; Q97-V100 PolarHBondContact O-N 2.83Å; V100-M102 VanDerWaalsContact C-N 3.32Å; V100-M102 PolarHBondContact O-N 3Å; V100-L103 WeakPolarHBondContact O-CA 3.44Å; V100-L103 PolarHBondContact O-N 3.34Å; V100-K104 HydrophobicContact CG1-CD 4.18Å; V100-K104 HydrophobicContact CG1-CG 4.23Å; V100-K104 WeakPolarHBondContact O-CG 3.31Å; V100-K104 PolarHBondContact O-N 3.08Å; V100-K104 VanDerWaalsContact O-N 3.08Å
101	N	89.7	Confident	90.1	Very high	80 Å²	80	54.7 Å²	54.7	43%	0.428	31%	0.308	S	S	.	.	H	α-helix	trans	-63.8	-34	-179.6	-72.1	-19.1	0	0	0	112.7	Q97 H98 Y99 L103 K104	Q97-N101 VanDerWaalsContact O-CB 3.28Å; Q97-N101 WeakPolarHBondContact O-CB 3.31Å; Q97-N101 PolarHBondContact O-N 3.41Å; Q97-N101 PolarHBondContact O-ND2 2.83Å; H98-N101 PolarHBondContact O-N 3.3Å; Y99-N101 VanDerWaalsContact C-N 3.33Å; Y99-N101 PolarHBondContact O-N 3.49Å; N101-L103 PolarHBondContact O-N 2.76Å; N101-K104 PolarHBondContact O-N 3.31Å
102	M	89.8	Confident	90.2	Very high	12 Å²	12	57.5 Å²	57.5	6%	0.059	32%	0.318	C	S	.	.	H	α-helix	trans	-65.9	-22.8	171.6	-73	-175	-71.4	0	0	113.7	K34 L37 H98 Y99 V100 P144	K34-M102 HydrophobicContact CG-SD 4.04Å; L37-M102 HydrophobicContact CD2-CB 4.22Å; L37-M102 HydrophobicContact CD2-CE 4.47Å; H98-M102 WeakPolarHBondContact NE2-CE 3.44Å; H98-M102 PolarHBondContact O-N 2.92Å; H98-M102 VanDerWaalsContact O-N 3.16Å; Y99-M102 PolarHBondContact O-N 2.88Å; V100-M102 VanDerWaalsContact C-N 3.32Å; V100-M102 PolarHBondContact O-N 3Å; M102-P144 WeakPolarHBondContact O-CD 3.39Å
103	L	89.5	Confident	90.4	Very high	45 Å²	45	59.6 Å²	59.6	24%	0.236	33%	0.326	C	S	.	.	H	α-helix	trans	-92.7	-14.9	175.9	-71.8	-177.9	0	0	0	114.2	L37 K41 F86 Y99 V100 N101	L37-L103 HydrophobicContact CD1-CD1 4.35Å; L37-L103 HydrophobicContact CD1-CD2 4.08Å; L37-L103 HydrophobicContact CD1-CG 4.41Å; L37-L103 HydrophobicContact CD2-CD2 3.99Å; L37-L103 HydrophobicContact CD2-CG 4.08Å; L37-L103 HydrophobicContact CG-CD2 4.29Å; K41-L103 HydrophobicContact CD-CD2 4.08Å; F86-L103 HydrophobicContact CE2-CD1 3.92Å; Y99-L103 HydrophobicContact CE1-CD1 4.34Å; Y99-L103 HydrophobicContact CE2-CD1 3.9Å; Y99-L103 PolarHBondContact O-N 2.77Å; Y99-L103 VanDerWaalsContact OH-CD1 3.29Å; Y99-L103 WeakPolarHBondContact OH-CD1 3.38Å; V100-L103 WeakPolarHBondContact O-CA 3.44Å; V100-L103 PolarHBondContact O-N 3.34Å; N101-L103 PolarHBondContact O-N 2.76Å
104	K	90.1	Very high	90.4	Very high	65 Å²	65	58.5 Å²	58.5	28%	0.283	32%	0.315	S	S	.	.	S	Bend	trans	-79.1	136	178.3	-73.9	-179.8	163.3	-158.2	0	111.7	V100 N101 I106 E113	V100-K104 HydrophobicContact CG1-CD 4.18Å; V100-K104 HydrophobicContact CG1-CG 4.23Å; V100-K104 WeakPolarHBondContact O-CG 3.31Å; V100-K104 PolarHBondContact O-N 3.08Å; V100-K104 VanDerWaalsContact O-N 3.08Å; N101-K104 PolarHBondContact O-N 3.31Å; K104-I106 HydrophobicContact CB-CD1 3.93Å; K104-I106 HydrophobicContact CB-CG1 3.84Å; K104-I106 HydrophobicContact CD-CD1 4.1Å; K104-I106 PolarHBondContact O-N 3.3Å; K104-I106 VanDerWaalsContact O-N 3.13Å; K104-E113 WeakPolarHBondContact CD-OE1 3.34Å; K104-E113 WeakPolarHBondContact CE-OE1 3.35Å; K104-E113 WeakPolarHBondContact CE-OE2 3.35Å; K104-E113 IonicContact NZ-OE1 3.43Å; K104-E113 PolarHBondContact NZ-OE1 2.79Å; K104-E113 IonicContact NZ-OE2 2.76Å; K104-E113 PolarHBondContact NZ-OE2 2.83Å
105	S	89.6	Confident	90.2	Very high	12 Å²	12	63.8 Å²	63.8	8%	0.084	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	79.9	167.4	29.1	0	0	0	0	110.6	K114 S116	S105-K114 PolarHBondContact O-N 2.7Å; S105-K114 PolarHBondContact OG-O 3.33Å; S105-S116 PolarHBondContact OG-N 3.04Å
106	I	90.8	Very high	90.1	Very high	63 Å²	63	66.2 Å²	66.2	32%	0.323	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	140.9	174.6	-61.8	167	0	0	0	109.5	K104 E113	K104-I106 HydrophobicContact CB-CD1 3.93Å; K104-I106 HydrophobicContact CB-CG1 3.84Å; K104-I106 HydrophobicContact CD-CD1 4.1Å; K104-I106 PolarHBondContact O-N 3.3Å; K104-I106 VanDerWaalsContact O-N 3.13Å; I106-E113 HydrophobicContact CG1-CB 4.28Å; I106-E113 HydrophobicContact CG1-CG 4.3Å
107	C	91.1	Very high	90	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.007	35%	0.348	C	S	.	.			trans	-75.5	125	173.3	-174.2	0	0	0	0	111.7	V109 C110 G111 E112 L120 H128	C107-V109 PolarHBondContact O-N 3.39Å; C107-V109 PolarHBondContact SG-N 3.08Å; C107-C110 VanDerWaalsContact CB-SG 3.54Å; C107-C110 VanDerWaalsContact SG-SG 3.66Å; C107-G111 VanDerWaalsContact O-CA 3.27Å; C107-G111 WeakPolarHBondContact O-CA 3.22Å; C107-G111 PolarHBondContact O-N 3.29Å; C107-E112 PolarHBondContact N-O 2.98Å; C107-L120 HydrophobicContact CB-CD1 3.91Å; C107-H128 VanDerWaalsContact SG-CD2 3.52Å; C107-H128 PolarHBondContact SG-NE2 2.78Å
108	P	88.1	Confident	90	Very high	97 Å²	97	63.2 Å²	63.2	63%	0.63	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-4.5	179	31.8	-37.2	0	0	0	114.2	L149	P108-L149 HydrophobicContact CG-CD1 3.72Å; P108-L149 HydrophobicContact CG-CG 4.37Å
109	V	89.8	Confident	90	Very high	83 Å²	83	62.6 Å²	62.6	50%	0.503	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-44.8	180	-178.7	0	0	0	0	111.9	C107 L130 L149	C107-V109 PolarHBondContact O-N 3.39Å; C107-V109 PolarHBondContact SG-N 3.08Å; V109-L130 HydrophobicContact CG2-CD1 4.21Å; V109-L149 HydrophobicContact CG2-CD1 3.99Å
110	C	91.5	Very high	90	Very high	61 Å²	61	62 Å²	62	41%	0.412	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-6	-175.7	65.2	0	0	0	0	114.9	C107 E112 H123 H128	C107-C110 VanDerWaalsContact CB-SG 3.54Å; C107-C110 VanDerWaalsContact SG-SG 3.66Å; C110-E112 VanDerWaalsContact C-N 3.28Å; C110-E112 PolarHBondContact O-N 2.89Å; C110-H123 VanDerWaalsContact SG-CE1 3.56Å; C110-H123 PolarHBondContact SG-NE2 3.41Å; C110-H128 PolarHBondContact SG-NE2 3.04Å
111	G	89.8	Confident	90.1	Very high	51 Å²	51	60 Å²	60	53%	0.526	34%	0.338	S	S	.	.			trans	76.6	2.1	-178	0	0	0	0	0	115.6	C107 E113	C107-G111 VanDerWaalsContact O-CA 3.27Å; C107-G111 WeakPolarHBondContact O-CA 3.22Å; C107-G111 PolarHBondContact O-N 3.29Å; G111-E113 PolarHBondContact O-N 3.2Å
112	E	90	Very high	90.2	Very high	95 Å²	95	64.9 Å²	64.9	44%	0.444	35%	0.351	S	S	.	.			trans	-69.2	125.3	-179.2	-69.9	-167.5	156.4	0	0	112.7	C107 C110 K114 H123	C107-E112 PolarHBondContact N-O 2.98Å; C110-E112 VanDerWaalsContact C-N 3.28Å; C110-E112 PolarHBondContact O-N 2.89Å; E112-K114 VanDerWaalsContact OE2-CE 3.32Å; E112-K114 WeakPolarHBondContact OE2-CE 3.35Å; E112-K114 IonicContact OE2-NZ 2.88Å; E112-K114 PolarHBondContact OE2-NZ 3.25Å; E112-H123 IonicContact OE2-CE1 3.22Å; E112-H123 PolarHBondContact OE2-CE1 3.25Å; E112-H123 IonicContact OE2-ND1 3.21Å; E112-H123 PolarHBondContact OE2-ND1 2.95Å; E112-H123 IonicContact OE2-NE2 3.95Å
113	E	91.3	Very high	90.4	Very high	107 Å²	107	65 Å²	65	50%	0.5	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	128.8	173.3	-172.4	175.2	166.7	0	0	111.3	K104 I106 G111	K104-E113 WeakPolarHBondContact CD-OE1 3.34Å; K104-E113 WeakPolarHBondContact CE-OE1 3.35Å; K104-E113 WeakPolarHBondContact CE-OE2 3.35Å; K104-E113 IonicContact NZ-OE1 3.43Å; K104-E113 PolarHBondContact NZ-OE1 2.79Å; K104-E113 IonicContact NZ-OE2 2.76Å; K104-E113 PolarHBondContact NZ-OE2 2.83Å; I106-E113 HydrophobicContact CG1-CB 4.28Å; I106-E113 HydrophobicContact CG1-CG 4.3Å; G111-E113 PolarHBondContact O-N 3.2Å
114	K	90.8	Very high	90.6	Very high	55 Å²	55	62.9 Å²	62.9	24%	0.239	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	150.9	177.1	-54.5	-59.1	176.2	-174.6	0	110.8	S105 E112 S116 A119 L120 H123	S105-K114 PolarHBondContact O-N 2.7Å; S105-K114 PolarHBondContact OG-O 3.33Å; E112-K114 VanDerWaalsContact OE2-CE 3.32Å; E112-K114 WeakPolarHBondContact OE2-CE 3.35Å; E112-K114 IonicContact OE2-NZ 2.88Å; E112-K114 PolarHBondContact OE2-NZ 3.25Å; K114-S116 VanDerWaalsContact C-N 3.25Å; K114-S116 PolarHBondContact O-N 2.74Å; K114-A119 HydrophobicContact CB-CB 4.23Å; K114-L120 HydrophobicContact CB-CB 4.23Å; K114-L120 HydrophobicContact CB-CD1 4.17Å; K114-L120 HydrophobicContact CG-CB 4.41Å; K114-L120 HydrophobicContact CG-CD1 3.71Å; K114-H123 HydrophobicContact CD-CB 4.39Å; K114-H123 HydrophobicContact CG-CB 4.4Å
115	K	87.3	Confident	90.7	Very high	216 Å²	216	63 Å²	63	94%	0.939	35%	0.346	S	S	*	.	S	Bend	trans	-67.8	-14.7	-173.9	-61.3	-175.1	-179.8	-177.6	0	115.4
116	S	89.3	Confident	90.8	Very high	52 Å²	52	67.5 Å²	67.5	36%	0.364	37%	0.369	S	S	.	.	S	Bend	trans	-161.5	161.4	177.4	69.2	0	0	0	0	111.2	S105 K114 S118 A119 L120	S105-S116 PolarHBondContact OG-N 3.04Å; K114-S116 VanDerWaalsContact C-N 3.25Å; K114-S116 PolarHBondContact O-N 2.74Å; S116-S118 VanDerWaalsContact C-N 3.26Å; S116-S118 PolarHBondContact O-N 3.48Å; S116-A119 PolarHBondContact O-N 2.84Å; S116-A119 VanDerWaalsContact O-N 3.12Å; S116-A119 PolarHBondContact OG-N 2.74Å; S116-L120 PolarHBondContact O-N 3.26Å
117	L	88.5	Confident	90.9	Very high	31 Å²	31	70.7 Å²	70.7	16%	0.162	38%	0.382	C	S	.	.	H	α-helix	trans	-59.3	-33.5	174.3	-80.7	169.6	0	0	0	113.3	L120 N121 I137 P144 F147	L117-L120 HydrophobicContact CD2-CD2 4.25Å; L117-L120 PolarHBondContact O-N 2.88Å; L117-N121 WeakPolarHBondContact O-CB 3.42Å; L117-N121 PolarHBondContact O-N 2.92Å; L117-I137 HydrophobicContact CB-CG2 4.19Å; L117-P144 HydrophobicContact CD1-CB 4.46Å; L117-P144 HydrophobicContact CD1-CG 4.27Å; L117-P144 HydrophobicContact CD2-CB 4.06Å; L117-P144 HydrophobicContact CG-CB 4.35Å; L117-P144 HydrophobicContact CG-CG 4.47Å; L117-F147 HydrophobicContact CD1-CD2 3.91Å; L117-F147 HydrophobicContact CD1-CE2 3.58Å; L117-F147 HydrophobicContact CD1-CZ 4.32Å; L117-F147 HydrophobicContact CD2-CD2 4.11Å
118	S	90.8	Very high	90.9	Very high	81 Å²	81	72.9 Å²	72.9	57%	0.566	39%	0.393	S	S	*	.	H	α-helix	trans	-69.3	-37.5	175	-45.4	0	0	0	0	112.2	S116 L120 R122	S116-S118 VanDerWaalsContact C-N 3.26Å; S116-S118 PolarHBondContact O-N 3.48Å; S118-L120 VanDerWaalsContact C-N 3.34Å; S118-R122 PolarHBondContact O-N 2.96Å; S118-R122 VanDerWaalsContact O-N 3.12Å
119	A	91.3	Very high	91	Very high	40 Å²	40	75.8 Å²	75.8	33%	0.331	40%	0.397	S	S	.	.	H	α-helix	trans	-69.3	-34.2	172.8	0	0	0	0	0	111.7	K114 S116 H123	K114-A119 HydrophobicContact CB-CB 4.23Å; S116-A119 PolarHBondContact O-N 2.84Å; S116-A119 VanDerWaalsContact O-N 3.12Å; S116-A119 PolarHBondContact OG-N 2.74Å; A119-H123 WeakPolarHBondContact O-CB 3.34Å; A119-H123 PolarHBondContact O-N 3.36Å; A119-H123 VanDerWaalsContact O-N 3.09Å
120	L	91.5	Very high	91.1	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-65.1	-50.4	173	-168.1	68.6	0	0	0	111.5	C107 K114 S116 L117 S118 R122 H123 T124 Y132	C107-L120 HydrophobicContact CB-CD1 3.91Å; K114-L120 HydrophobicContact CB-CB 4.23Å; K114-L120 HydrophobicContact CB-CD1 4.17Å; K114-L120 HydrophobicContact CG-CB 4.41Å; K114-L120 HydrophobicContact CG-CD1 3.71Å; S116-L120 PolarHBondContact O-N 3.26Å; L117-L120 HydrophobicContact CD2-CD2 4.25Å; L117-L120 PolarHBondContact O-N 2.88Å; S118-L120 VanDerWaalsContact C-N 3.34Å; L120-R122 VanDerWaalsContact C-N 3.3Å; L120-R122 PolarHBondContact O-N 3.4Å; L120-H123 WeakPolarHBondContact O-CB 3.4Å; L120-H123 PolarHBondContact O-N 3.14Å; L120-T124 HydrophobicContact CG-CG2 4.41Å; L120-T124 WeakPolarHBondContact O-CG2 3.48Å; L120-T124 PolarHBondContact O-N 2.91Å; L120-T124 PolarHBondContact O-OG1 2.83Å; L120-Y132 HydrophobicContact CD2-CE2 3.87Å; L120-Y132 HydrophobicContact CG-CE2 4.03Å
121	N	92.1	Very high	91.1	Very high	13 Å²	13	71.7 Å²	71.7	7%	0.07	37%	0.37	C	S	.	.	H	α-helix	trans	-57.5	-42.1	177.8	-163.7	22.5	0	0	0	111.9	L117 H123 T124 T125 S131 Y132 D134 I137	L117-N121 WeakPolarHBondContact O-CB 3.42Å; L117-N121 PolarHBondContact O-N 2.92Å; N121-H123 PolarHBondContact O-N 3.35Å; N121-T124 PolarHBondContact O-OG1 3.4Å; N121-T125 VanDerWaalsContact O-CB 3.26Å; N121-T125 WeakPolarHBondContact O-CB 3.35Å; N121-T125 PolarHBondContact O-N 2.68Å; N121-T125 PolarHBondContact O-OG1 2.76Å; N121-S131 WeakPolarHBondContact OD1-CA 3.4Å; N121-Y132 HydrophobicContact CB-CD2 3.89Å; N121-Y132 PolarHBondContact ND2-O 2.99Å; N121-Y132 PolarHBondContact OD1-N 3.43Å; N121-D134 PolarHBondContact ND2-OD1 3.31Å; N121-D134 VanDerWaalsContact ND2-OD1 3.11Å; N121-I137 HydrophobicContact CB-CD1 3.98Å; N121-I137 WeakPolarHBondContact ND2-CD1 3.29Å
122	R	92	Very high	91.2	Very high	182 Å²	182	69.4 Å²	69.4	69%	0.687	35%	0.346	S	S	*	.	H	α-helix	trans	-60.4	-45	174.2	177.6	174.8	174.1	135.8	2.8	111.8	S118 L120 L126	S118-R122 PolarHBondContact O-N 2.96Å; S118-R122 VanDerWaalsContact O-N 3.12Å; L120-R122 VanDerWaalsContact C-N 3.3Å; L120-R122 PolarHBondContact O-N 3.4Å; R122-L126 HydrophobicContact CG-CD1 3.85Å; R122-L126 VanDerWaalsContact O-CG 3.27Å; R122-L126 WeakPolarHBondContact O-CG 3.32Å; R122-L126 PolarHBondContact O-N 2.84Å; R122-L126 VanDerWaalsContact O-N 3.15Å
123	H	93.8	Very high	91.3	Very high	15 Å²	15	65 Å²	65	7%	0.069	33%	0.325	C	S	.	.	H	α-helix	trans	-65.5	-48	179.1	154.5	76.4	0	0	0	112.1	C110 E112 K114 A119 L120 N121 T125 L126 E127 H128	C110-H123 VanDerWaalsContact SG-CE1 3.56Å; C110-H123 PolarHBondContact SG-NE2 3.41Å; E112-H123 IonicContact OE2-CE1 3.22Å; E112-H123 PolarHBondContact OE2-CE1 3.25Å; E112-H123 IonicContact OE2-ND1 3.21Å; E112-H123 PolarHBondContact OE2-ND1 2.95Å; E112-H123 IonicContact OE2-NE2 3.95Å; K114-H123 HydrophobicContact CD-CB 4.39Å; K114-H123 HydrophobicContact CG-CB 4.4Å; A119-H123 WeakPolarHBondContact O-CB 3.34Å; A119-H123 PolarHBondContact O-N 3.36Å; A119-H123 VanDerWaalsContact O-N 3.09Å; L120-H123 WeakPolarHBondContact O-CB 3.4Å; L120-H123 PolarHBondContact O-N 3.14Å; N121-H123 PolarHBondContact O-N 3.35Å; H123-T125 VanDerWaalsContact C-N 3.27Å; H123-T125 PolarHBondContact O-N 3.32Å; H123-L126 PolarHBondContact O-N 2.99Å; H123-L126 VanDerWaalsContact O-N 3.16Å; H123-E127 WeakPolarHBondContact ND1-CG 3.48Å; H123-E127 PolarHBondContact O-N 2.82Å; H123-H128 AromaticContact CE1-NE2 4Å; H123-H128 AromaticContact NE2-NE2 3.8Å
124	T	92.5	Very high	91.2	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.6	-34	179.4	60.8	0	0	0	0	112	L120 N121 H128 Q129 L130 Y132 L149	L120-T124 HydrophobicContact CG-CG2 4.41Å; L120-T124 WeakPolarHBondContact O-CG2 3.48Å; L120-T124 PolarHBondContact O-N 2.91Å; L120-T124 PolarHBondContact O-OG1 2.83Å; N121-T124 PolarHBondContact O-OG1 3.4Å; T124-H128 CarbonylContact O-C 3.58Å; T124-H128 WeakPolarHBondContact O-CA 3.28Å; T124-H128 WeakPolarHBondContact O-CB 3.48Å; T124-H128 PolarHBondContact O-N 2.88Å; T124-Q129 PolarHBondContact O-N 3.04Å; T124-L130 CarbonylContact C-O 3.38Å; T124-L130 WeakPolarHBondContact CB-O 3.38Å; T124-L130 PolarHBondContact O-N 3.34Å; T124-L130 VanDerWaalsContact O-N 3.15Å; T124-L130 VanDerWaalsContact O-O 3.08Å; T124-L130 PolarHBondContact OG1-O 3.41Å; T124-Y132 HydrophobicContact CG2-CE2 4.41Å; T124-L149 HydrophobicContact CG2-CD1 4.03Å; T124-L149 HydrophobicContact CG2-CD2 3.96Å
125	T	92.4	Very high	91.2	Very high	67 Å²	67	61.3 Å²	61.3	41%	0.411	31%	0.311	S	S	.	.	H	α-helix	trans	-65.5	-38.8	175.8	-58.5	0	0	0	0	111.6	N121 H123 L130	N121-T125 VanDerWaalsContact O-CB 3.26Å; N121-T125 WeakPolarHBondContact O-CB 3.35Å; N121-T125 PolarHBondContact O-N 2.68Å; N121-T125 PolarHBondContact O-OG1 2.76Å; H123-T125 VanDerWaalsContact C-N 3.27Å; H123-T125 PolarHBondContact O-N 3.32Å; T125-L130 WeakPolarHBondContact CA-O 3.24Å; T125-L130 PolarHBondContact N-O 3.37Å; T125-L130 VanDerWaalsContact N-O 3.07Å
126	L	92.2	Very high	91.3	Very high	108 Å²	108	51.7 Å²	51.7	57%	0.565	27%	0.271	S	S	*	.	H	α-helix	trans	-81.8	-51	-178.2	-68.7	170.5	0	0	0	112.8	R122 H123	R122-L126 HydrophobicContact CG-CD1 3.85Å; R122-L126 VanDerWaalsContact O-CG 3.27Å; R122-L126 WeakPolarHBondContact O-CG 3.32Å; R122-L126 PolarHBondContact O-N 2.84Å; R122-L126 VanDerWaalsContact O-N 3.15Å; H123-L126 PolarHBondContact O-N 2.99Å; H123-L126 VanDerWaalsContact O-N 3.16Å
127	E	92.7	Very high	91.3	Very high	129 Å²	129	50.8 Å²	50.8	60%	0.603	26%	0.262	S	S	*	.	H	α-helix	trans	-86	-22.9	-171.9	-54	-51.6	138	0	0	113.5	H123	H123-E127 WeakPolarHBondContact ND1-CG 3.48Å; H123-E127 PolarHBondContact O-N 2.82Å
128	H	92.4	Very high	91.2	Very high	48 Å²	48	56.8 Å²	56.8	22%	0.222	28%	0.283	C	S	.	.	S	Bend	trans	-129.5	-3.8	-170.8	-52.6	-32	0	0	0	114.1	C107 C110 H123 T124 L130	C107-H128 VanDerWaalsContact SG-CD2 3.52Å; C107-H128 PolarHBondContact SG-NE2 2.78Å; C110-H128 PolarHBondContact SG-NE2 3.04Å; H123-H128 AromaticContact CE1-NE2 4Å; H123-H128 AromaticContact NE2-NE2 3.8Å; T124-H128 CarbonylContact O-C 3.58Å; T124-H128 WeakPolarHBondContact O-CA 3.28Å; T124-H128 WeakPolarHBondContact O-CB 3.48Å; T124-H128 PolarHBondContact O-N 2.88Å; H128-L130 HydrophobicContact CB-CB 4.49Å; H128-L130 PolarHBondContact O-N 3.08Å; H128-L130 VanDerWaalsContact O-N 3.1Å
129	Q	89.6	Confident	91	Very high	157 Å²	157	58.6 Å²	58.6	73%	0.734	28%	0.278	S	S	*	.	S	Bend	trans	56.9	20.9	-175.4	-50.7	178.9	13.1	0	0	113.7	T124	T124-Q129 PolarHBondContact O-N 3.04Å
130	L	92.1	Very high	90.8	Very high	38 Å²	38	57.1 Å²	57.1	20%	0.199	27%	0.266	C	S	.	.			trans	-114.1	137.7	180	-66.6	178.7	0	0	0	110.2	V109 T124 T125 H128 L149 K151	V109-L130 HydrophobicContact CG2-CD1 4.21Å; T124-L130 CarbonylContact C-O 3.38Å; T124-L130 WeakPolarHBondContact CB-O 3.38Å; T124-L130 PolarHBondContact O-N 3.34Å; T124-L130 VanDerWaalsContact O-N 3.15Å; T124-L130 VanDerWaalsContact O-O 3.08Å; T124-L130 PolarHBondContact OG1-O 3.41Å; T125-L130 WeakPolarHBondContact CA-O 3.24Å; T125-L130 PolarHBondContact N-O 3.37Å; T125-L130 VanDerWaalsContact N-O 3.07Å; H128-L130 HydrophobicContact CB-CB 4.49Å; H128-L130 PolarHBondContact O-N 3.08Å; H128-L130 VanDerWaalsContact O-N 3.1Å; L130-L149 HydrophobicContact CB-CB 4.2Å; L130-L149 HydrophobicContact CB-CD1 4.14Å; L130-L149 HydrophobicContact CB-CD2 4.03Å; L130-L149 HydrophobicContact CB-CG 4.37Å; L130-L149 HydrophobicContact CD1-CB 4.26Å; L130-L149 HydrophobicContact CD1-CD1 4.05Å; L130-K151 HydrophobicContact CD2-CB 4.31Å; L130-K151 HydrophobicContact CD2-CG 3.6Å
131	S	91.2	Very high	90.5	Very high	20 Å²	20	65.1 Å²	65.1	14%	0.14	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-135.2	150.7	-175.5	43.9	0	0	0	0	112.5	N121 M150	N121-S131 WeakPolarHBondContact OD1-CA 3.4Å; S131-M150 PolarHBondContact N-O 3.45Å; S131-M150 PolarHBondContact O-N 3.05Å
132	Y	91.6	Very high	90.4	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.016	31%	0.308	C	S	.	.			trans	-89.5	156.7	169.9	-59.2	-69.2	0	0	0	109.9	L120 N121 T124 D134 I137 F147 V148 L149	L120-Y132 HydrophobicContact CD2-CE2 3.87Å; L120-Y132 HydrophobicContact CG-CE2 4.03Å; N121-Y132 HydrophobicContact CB-CD2 3.89Å; N121-Y132 PolarHBondContact ND2-O 2.99Å; N121-Y132 PolarHBondContact OD1-N 3.43Å; T124-Y132 HydrophobicContact CG2-CE2 4.41Å; Y132-D134 PolarHBondContact O-N 3.38Å; Y132-I137 VanDerWaalsContact CB-CD1 3.49Å; Y132-I137 HydrophobicContact CG-CD1 4.42Å; Y132-F147 HydrophobicContact CD1-CB 3.71Å; Y132-F147 HydrophobicContact CE1-CB 3.63Å; Y132-F147 VanDerWaalsContact CE1-O 3.29Å; Y132-F147 WeakPolarHBondContact CE1-O 3.44Å; Y132-V148 WeakPolarHBondContact CD1-O 3.43Å; Y132-L149 HydrophobicContact CD1-CD2 3.82Å; Y132-L149 HydrophobicContact CD1-CG 4.27Å; Y132-L149 HydrophobicContact CD2-CD2 3.87Å; Y132-L149 HydrophobicContact CE1-CB 4.32Å; Y132-L149 HydrophobicContact CE1-CD2 3.49Å; Y132-L149 VanDerWaalsContact CE1-CD2 3.49Å; Y132-L149 HydrophobicContact CE1-CG 3.57Å; Y132-L149 HydrophobicContact CE2-CD2 3.55Å; Y132-L149 HydrophobicContact CE2-CG 4.29Å; Y132-L149 HydrophobicContact CG-CD2 4.02Å
133	C	91.6	Very high	90.2	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.014	28%	0.275	C	S	.	.			trans	-75.8	121.5	175.7	-169.1	0	0	0	0	111.7	L135 C136 I137 M150 H158 H169	C133-L135 PolarHBondContact O-N 2.98Å; C133-L135 VanDerWaalsContact O-N 3.14Å; C133-C136 HydrophobicContact CB-CB 4.04Å; C133-C136 PolarHBondContact O-N 2.81Å; C133-C136 VanDerWaalsContact O-N 3.1Å; C133-I137 WeakPolarHBondContact O-CG1 3.43Å; C133-I137 PolarHBondContact O-N 3.3Å; C133-M150 HydrophobicContact CB-CE 4.15Å; C133-H158 VanDerWaalsContact CB-NE2 3.33Å; C133-H158 WeakPolarHBondContact CB-NE2 3.35Å; C133-H169 VanDerWaalsContact SG-CD2 3.59Å; C133-H169 PolarHBondContact SG-NE2 3.24Å
134	D	89.3	Confident	90	Very high	71 Å²	71	58.6 Å²	58.6	38%	0.38	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.6	-179.7	-54.4	-55.1	0	0	0	114	N121 Y132 R138 R159	N121-D134 PolarHBondContact ND2-OD1 3.31Å; N121-D134 VanDerWaalsContact ND2-OD1 3.11Å; Y132-D134 PolarHBondContact O-N 3.38Å; D134-R138 PolarHBondContact O-NE 3.36Å; D134-R138 PolarHBondContact O-NH2 3.12Å; D134-R159 IonicContact OD2-CZ 2.67Å; D134-R159 IonicContact OD2-NH1 3.75Å; D134-R159 IonicContact OD2-NH2 2.76Å; D134-R159 PolarHBondContact OD2-NH2 3.05Å
135	L	90.1	Very high	89.7	Confident	13 Å²	13	62.2 Å²	62.2	7%	0.068	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-51.5	170.5	-73.2	166.8	0	0	0	110	C133 I137 R138 Y139 H169 R178 Y180	C133-L135 PolarHBondContact O-N 2.98Å; C133-L135 VanDerWaalsContact O-N 3.14Å; L135-I137 VanDerWaalsContact C-N 3.33Å; L135-I137 PolarHBondContact O-N 3.13Å; L135-R138 PolarHBondContact O-N 3.02Å; L135-Y139 HydrophobicContact CD2-CD2 4.16Å; L135-Y139 HydrophobicContact CD2-CE2 3.86Å; L135-Y139 WeakPolarHBondContact O-CD2 3.18Å; L135-Y139 PolarHBondContact O-N 3.22Å; L135-H169 HydrophobicContact CD1-CB 3.76Å; L135-R178 HydrophobicContact CD1-CB 3.96Å; L135-Y180 HydrophobicContact CB-CD2 4.44Å
136	C	90.5	Very high	89.6	Confident	15 Å²	15	61.4 Å²	61.4	10%	0.101	29%	0.292	C	S	.	.	H	α-helix	trans	-57	-41.8	175.5	-59.3	0	0	0	0	112.8	C133 R138 Y139 A140 F147 H158 H169	C133-C136 HydrophobicContact CB-CB 4.04Å; C133-C136 PolarHBondContact O-N 2.81Å; C133-C136 VanDerWaalsContact O-N 3.1Å; C136-R138 PolarHBondContact O-N 3.2Å; C136-Y139 PolarHBondContact O-N 2.88Å; C136-A140 HydrophobicContact CB-CB 4.09Å; C136-A140 WeakPolarHBondContact O-CB 3.41Å; C136-A140 PolarHBondContact O-N 2.93Å; C136-F147 HydrophobicContact CB-CE1 4.11Å; C136-F147 WeakPolarHBondContact O-CE1 3.41Å; C136-H158 PolarHBondContact SG-NE2 3.22Å; C136-H158 VanDerWaalsContact SG-NE2 3.39Å; C136-H169 PolarHBondContact SG-NE2 3.08Å; C136-H169 VanDerWaalsContact SG-NE2 3.45Å
137	I	89.1	Confident	89.5	Confident	33 Å²	33	57.2 Å²	57.2	17%	0.169	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-29.7	177.2	-67.3	162.8	0	0	0	112.5	L117 N121 Y132 C133 L135 F147	L117-I137 HydrophobicContact CB-CG2 4.19Å; N121-I137 HydrophobicContact CB-CD1 3.98Å; N121-I137 WeakPolarHBondContact ND2-CD1 3.29Å; Y132-I137 VanDerWaalsContact CB-CD1 3.49Å; Y132-I137 HydrophobicContact CG-CD1 4.42Å; C133-I137 WeakPolarHBondContact O-CG1 3.43Å; C133-I137 PolarHBondContact O-N 3.3Å; L135-I137 VanDerWaalsContact C-N 3.33Å; L135-I137 PolarHBondContact O-N 3.13Å; I137-F147 HydrophobicContact CG1-CD1 4.47Å; I137-F147 HydrophobicContact CG1-CE1 4.31Å
138	R	86.1	Confident	89.3	Confident	156 Å²	156	56.2 Å²	56.2	59%	0.589	27%	0.272	S	S	*	.	H	α-helix	trans	-89.3	-35.8	-178.5	-76.7	-177.8	-73.6	165	-1.2	113.5	D134 L135 C136	D134-R138 PolarHBondContact O-NE 3.36Å; D134-R138 PolarHBondContact O-NH2 3.12Å; L135-R138 PolarHBondContact O-N 3.02Å; C136-R138 PolarHBondContact O-N 3.2Å
139	Y	86.4	Confident	89.3	Confident	119 Å²	119	55.5 Å²	55.5	47%	0.467	27%	0.269	S	S	.	.	H	α-helix	trans	-122.4	-23.6	-165.3	-56.2	-63.2	0	0	0	114.6	L135 C136 R141 Y180	L135-Y139 HydrophobicContact CD2-CD2 4.16Å; L135-Y139 HydrophobicContact CD2-CE2 3.86Å; L135-Y139 WeakPolarHBondContact O-CD2 3.18Å; L135-Y139 PolarHBondContact O-N 3.22Å; C136-Y139 PolarHBondContact O-N 2.88Å; Y139-R141 PolarHBondContact O-N 3.47Å; Y139-Y180 HydrophobicContact CD2-CG 4.23Å; Y139-Y180 HydrophobicContact CG-CG 4.23Å
140	A	86.8	Confident	89.3	Confident	10 Å²	10	49.6 Å²	49.6	8%	0.083	24%	0.242	C	C	.	.			trans	-74.1	127.7	178.5	0	0	0	0	0	110.9	C136 L142 Y180	C136-A140 HydrophobicContact CB-CB 4.09Å; C136-A140 WeakPolarHBondContact O-CB 3.41Å; C136-A140 PolarHBondContact O-N 2.93Å; A140-L142 HydrophobicContact CB-CD1 4Å; A140-L142 HydrophobicContact CB-CG 4.02Å; A140-L142 PolarHBondContact O-N 3.32Å; A140-Y180 HydrophobicContact CB-CE2 3.93Å; A140-Y180 WeakPolarHBondContact CB-OH 3.45Å
141	R	86.6	Confident	89.3	Confident	167 Å²	167	54.1 Å²	54.1	63%	0.63	26%	0.26	S	S	*	.			trans	-77.6	53.2	179.3	-64	179.5	176.3	-176.5	-3.7	112.1	F42 Y139	F42-R141 HydrophobicContact CB-CB 4.12Å; F42-R141 HydrophobicContact CB-CG 4.07Å; F42-R141 HydrophobicContact CD1-CB 4.25Å; F42-R141 HydrophobicContact CD1-CG 4.27Å; F42-R141 HydrophobicContact CD2-CB 3.92Å; F42-R141 HydrophobicContact CE2-CB 4.39Å; F42-R141 WeakPolarHBondContact CE2-O 3.43Å; F42-R141 HydrophobicContact CG-CB 3.85Å; F42-R141 HydrophobicContact CG-CG 4.11Å; Y139-R141 PolarHBondContact O-N 3.47Å
142	L	88.5	Confident	89.2	Confident	61 Å²	61	57.2 Å²	57.2	32%	0.319	28%	0.279	S	S	.	.			trans	-110	146.5	-174.6	-63.9	178.3	0	0	0	112.7	F42 A140 E146 F147	F42-L142 VanDerWaalsContact CZ-O 3.22Å; F42-L142 WeakPolarHBondContact CZ-O 3.48Å; A140-L142 HydrophobicContact CB-CD1 4Å; A140-L142 HydrophobicContact CB-CG 4.02Å; A140-L142 PolarHBondContact O-N 3.32Å; L142-E146 HydrophobicContact CB-CB 4.31Å; L142-F147 HydrophobicContact CB-CD2 4.33Å; L142-F147 HydrophobicContact CB-CE1 4.43Å; L142-F147 HydrophobicContact CB-CE2 3.82Å; L142-F147 HydrophobicContact CB-CZ 3.87Å; L142-F147 HydrophobicContact CD1-CE1 4.4Å; L142-F147 WeakPolarHBondContact O-CE2 3.49Å
143	L	89.6	Confident	89.2	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.303	C	S	.	.			trans	-73.9	152.2	173.9	-56.5	177.9	0	0	0	110.5	L37 K38 K41 F42 C145 E146 F147	L37-L143 HydrophobicContact CB-CD1 4.46Å; L37-L143 HydrophobicContact CD2-CD1 3.94Å; L37-L143 HydrophobicContact CD2-CD2 4.14Å; L37-L143 HydrophobicContact CG-CD1 4.25Å; L37-L143 HydrophobicContact CG-CD2 3.89Å; K38-L143 HydrophobicContact CG-CD1 4.45Å; K38-L143 HydrophobicContact CG-CD2 4.2Å; K38-L143 HydrophobicContact CG-CG 4.09Å; K41-L143 HydrophobicContact CD-CD2 3.88Å; F42-L143 HydrophobicContact CE2-CD2 4.19Å; L143-C145 PolarHBondContact O-N 3.05Å; L143-C145 VanDerWaalsContact O-N 3.11Å; L143-E146 HydrophobicContact CB-CG 4.06Å; L143-E146 PolarHBondContact N-OE2 3.46Å; L143-E146 WeakPolarHBondContact O-CB 3.21Å; L143-E146 PolarHBondContact O-N 3.04Å; L143-F147 WeakPolarHBondContact O-CD2 3.37Å
144	P	88.8	Confident	89.2	Confident	13 Å²	13	63 Å²	63	8%	0.084	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-51.8	-35.7	-179.7	-31.7	37.4	0	0	0	114.7	M102 L117 E146	M102-P144 WeakPolarHBondContact O-CD 3.39Å; L117-P144 HydrophobicContact CD1-CB 4.46Å; L117-P144 HydrophobicContact CD1-CG 4.27Å; L117-P144 HydrophobicContact CD2-CB 4.06Å; L117-P144 HydrophobicContact CG-CB 4.35Å; L117-P144 HydrophobicContact CG-CG 4.47Å; P144-E146 VanDerWaalsContact C-N 3.3Å; P144-E146 PolarHBondContact O-N 3.29Å
145	C	86.1	Confident	89.2	Confident	75 Å²	75	60.4 Å²	60.4	51%	0.507	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-73.7	-11.5	176.3	57.9	0	0	0	0	115.2	L143	L143-C145 PolarHBondContact O-N 3.05Å; L143-C145 VanDerWaalsContact O-N 3.11Å
146	E	90.1	Very high	89.1	Confident	51 Å²	51	62.5 Å²	62.5	24%	0.238	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-98.8	-8.5	-178.2	-61.3	177.2	137.4	0	0	113.2	K38 L142 L143 P144 V148	K38-E146 WeakPolarHBondContact CE-OE1 3.5Å; K38-E146 WeakPolarHBondContact CE-OE2 3.19Å; K38-E146 VanDerWaalsContact NZ-CD 3.26Å; K38-E146 IonicContact NZ-OE1 2.74Å; K38-E146 PolarHBondContact NZ-OE1 2.87Å; K38-E146 IonicContact NZ-OE2 3Å; K38-E146 PolarHBondContact NZ-OE2 3.22Å; K38-E146 VanDerWaalsContact NZ-OE2 3.12Å; L142-E146 HydrophobicContact CB-CB 4.31Å; L143-E146 HydrophobicContact CB-CG 4.06Å; L143-E146 PolarHBondContact N-OE2 3.46Å; L143-E146 WeakPolarHBondContact O-CB 3.21Å; L143-E146 PolarHBondContact O-N 3.04Å; P144-E146 VanDerWaalsContact C-N 3.3Å; P144-E146 PolarHBondContact O-N 3.29Å; E146-V148 PolarHBondContact O-N 2.79Å
147	F	90.4	Very high	89	Confident	20 Å²	20	68 Å²	68	9%	0.088	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-71.8	122.6	175.1	-77.4	-83.3	0	0	0	110.4	L117 Y132 C136 I137 L142 L143	L117-F147 HydrophobicContact CD1-CD2 3.91Å; L117-F147 HydrophobicContact CD1-CE2 3.58Å; L117-F147 HydrophobicContact CD1-CZ 4.32Å; L117-F147 HydrophobicContact CD2-CD2 4.11Å; Y132-F147 HydrophobicContact CD1-CB 3.71Å; Y132-F147 HydrophobicContact CE1-CB 3.63Å; Y132-F147 VanDerWaalsContact CE1-O 3.29Å; Y132-F147 WeakPolarHBondContact CE1-O 3.44Å; C136-F147 HydrophobicContact CB-CE1 4.11Å; C136-F147 WeakPolarHBondContact O-CE1 3.41Å; I137-F147 HydrophobicContact CG1-CD1 4.47Å; I137-F147 HydrophobicContact CG1-CE1 4.31Å; L142-F147 HydrophobicContact CB-CD2 4.33Å; L142-F147 HydrophobicContact CB-CE1 4.43Å; L142-F147 HydrophobicContact CB-CE2 3.82Å; L142-F147 HydrophobicContact CB-CZ 3.87Å; L142-F147 HydrophobicContact CD1-CE1 4.4Å; L142-F147 WeakPolarHBondContact O-CE2 3.49Å; L143-F147 WeakPolarHBondContact O-CD2 3.37Å
148	V	89.1	Confident	89	Confident	108 Å²	108	69.4 Å²	69.4	66%	0.655	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-85.9	126.4	177.8	-178.1	0	0	0	0	110.1	Y132 E146	Y132-V148 WeakPolarHBondContact CD1-O 3.43Å; E146-V148 PolarHBondContact O-N 2.79Å
149	L	90.7	Very high	89.1	Confident	32 Å²	32	65.1 Å²	65.1	17%	0.168	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-71.8	134.5	170.3	-82.6	178.1	0	0	0	110.8	P108 V109 T124 L130 Y132	P108-L149 HydrophobicContact CG-CD1 3.72Å; P108-L149 HydrophobicContact CG-CG 4.37Å; V109-L149 HydrophobicContact CG2-CD1 3.99Å; T124-L149 HydrophobicContact CG2-CD1 4.03Å; T124-L149 HydrophobicContact CG2-CD2 3.96Å; L130-L149 HydrophobicContact CB-CB 4.2Å; L130-L149 HydrophobicContact CB-CD1 4.14Å; L130-L149 HydrophobicContact CB-CD2 4.03Å; L130-L149 HydrophobicContact CB-CG 4.37Å; L130-L149 HydrophobicContact CD1-CB 4.26Å; L130-L149 HydrophobicContact CD1-CD1 4.05Å; Y132-L149 HydrophobicContact CD1-CD2 3.82Å; Y132-L149 HydrophobicContact CD1-CG 4.27Å; Y132-L149 HydrophobicContact CD2-CD2 3.87Å; Y132-L149 HydrophobicContact CE1-CB 4.32Å; Y132-L149 HydrophobicContact CE1-CD2 3.49Å; Y132-L149 VanDerWaalsContact CE1-CD2 3.49Å; Y132-L149 HydrophobicContact CE1-CG 3.57Å; Y132-L149 HydrophobicContact CE2-CD2 3.55Å; Y132-L149 HydrophobicContact CE2-CG 4.29Å; Y132-L149 HydrophobicContact CG-CD2 4.02Å
150	M	91	Very high	89.1	Confident	33 Å²	33	62.2 Å²	62.2	16%	0.163	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-119.7	144.8	179.6	-71.7	170.2	-86.1	0	0	111.4	S131 C133 L155 H158	S131-M150 PolarHBondContact N-O 3.45Å; S131-M150 PolarHBondContact O-N 3.05Å; C133-M150 HydrophobicContact CB-CE 4.15Å; M150-L155 HydrophobicContact CB-CB 3.9Å; M150-H158 HydrophobicContact SD-CB 3.81Å
151	K	92	Very high	89	Confident	134 Å²	134	65.1 Å²	65.1	58%	0.583	34%	0.342	S	S	*	.			trans	-68.8	153.4	165.5	-65.2	177.6	179.2	179.4	0	109.2	L130 A153 D154 L155	L130-K151 HydrophobicContact CD2-CB 4.31Å; L130-K151 HydrophobicContact CD2-CG 3.6Å; K151-A153 VanDerWaalsContact C-N 3.26Å; K151-A153 PolarHBondContact O-N 3.25Å; K151-A153 VanDerWaalsContact O-N 3.14Å; K151-D154 PolarHBondContact O-N 3.44Å; K151-L155 PolarHBondContact O-N 2.95Å
152	P	89.7	Confident	88.8	Confident	84 Å²	84	59.6 Å²	59.6	55%	0.545	33%	0.325	S	S	.	.	H	α-helix	trans	-54.3	-38	-177	-29	36.2	0	0	0	114.3	A156	P152-A156 WeakPolarHBondContact O-CB 3.26Å; P152-A156 PolarHBondContact O-N 3.19Å
153	A	90.5	Very high	88.1	Confident	63 Å²	63	65 Å²	65	52%	0.521	35%	0.346	S	S	.	.	H	α-helix	trans	-66.7	-37.2	176.7	0	0	0	0	0	113.2	K151 A156 K157	K151-A153 VanDerWaalsContact C-N 3.26Å; K151-A153 PolarHBondContact O-N 3.25Å; K151-A153 VanDerWaalsContact O-N 3.14Å; A153-A156 PolarHBondContact O-N 3.28Å; A153-K157 WeakPolarHBondContact O-CG 3.32Å; A153-K157 PolarHBondContact O-N 3.2Å
154	D	90.7	Very high	87.4	Confident	64 Å²	64	72.4 Å²	72.4	34%	0.342	39%	0.386	S	S	.	.	H	α-helix	trans	-81.5	-33	-179.4	-57.9	-50	0	0	0	111.6	K151 A156 K157 H158	K151-D154 PolarHBondContact O-N 3.44Å; D154-A156 VanDerWaalsContact C-N 3.31Å; D154-A156 PolarHBondContact O-N 2.92Å; D154-K157 PolarHBondContact O-N 2.66Å; D154-K157 IonicContact OD1-NZ 2.7Å; D154-K157 PolarHBondContact OD1-NZ 3.01Å; D154-H158 VanDerWaalsContact O-CB 3.31Å; D154-H158 WeakPolarHBondContact O-CB 3.35Å; D154-H158 PolarHBondContact O-N 2.81Å
155	L	89.7	Confident	86.8	Confident	18 Å²	18	78.6 Å²	78.6	9%	0.094	41%	0.411	C	S	.	.	H	α-helix	trans	-63.6	-35.9	167.7	178.5	139.5	0	0	0	111.7	M150 K151 H158 R159	M150-L155 HydrophobicContact CB-CB 3.9Å; K151-L155 PolarHBondContact O-N 2.95Å; L155-H158 PolarHBondContact O-N 3.14Å; L155-R159 HydrophobicContact CD2-CG 4.48Å; L155-R159 WeakPolarHBondContact O-CB 3.46Å; L155-R159 VanDerWaalsContact O-CG 3.31Å; L155-R159 WeakPolarHBondContact O-CG 3.29Å; L155-R159 PolarHBondContact O-N 3.21Å
156	A	88.8	Confident	86.3	Confident	57 Å²	57	82.4 Å²	82.4	47%	0.471	42%	0.419	S	S	.	.	H	α-helix	trans	-64.6	-43.6	173	0	0	0	0	0	112.1	P152 A153 D154 R159 S160	P152-A156 WeakPolarHBondContact O-CB 3.26Å; P152-A156 PolarHBondContact O-N 3.19Å; A153-A156 PolarHBondContact O-N 3.28Å; D154-A156 VanDerWaalsContact C-N 3.31Å; D154-A156 PolarHBondContact O-N 2.92Å; A156-R159 PolarHBondContact O-N 3.23Å; A156-S160 PolarHBondContact O-N 2.98Å; A156-S160 VanDerWaalsContact O-N 3.13Å
157	K	88.3	Confident	85.7	Confident	130 Å²	130	87.1 Å²	87.1	57%	0.565	44%	0.439	S	S	*	.	H	α-helix	trans	-61	-48.8	172.8	-64	165.9	-161	163.4	0	111.3	A153 D154 R159 S160	A153-K157 WeakPolarHBondContact O-CG 3.32Å; A153-K157 PolarHBondContact O-N 3.2Å; D154-K157 PolarHBondContact O-N 2.66Å; D154-K157 IonicContact OD1-NZ 2.7Å; D154-K157 PolarHBondContact OD1-NZ 3.01Å; K157-R159 VanDerWaalsContact C-N 3.3Å; K157-R159 PolarHBondContact O-N 3.23Å; K157-S160 WeakPolarHBondContact O-CB 3.2Å; K157-S160 PolarHBondContact O-N 3.18Å; K157-S160 PolarHBondContact O-OG 3.34Å
158	H	89.3	Confident	85.4	Confident	63 Å²	63	87.3 Å²	87.3	29%	0.292	45%	0.447	S	S	.	.	H	α-helix	trans	-61	-35	178.2	169	74.2	0	0	0	113	C133 C136 M150 D154 L155 S160 G168 H169	C133-H158 VanDerWaalsContact CB-NE2 3.33Å; C133-H158 WeakPolarHBondContact CB-NE2 3.35Å; C136-H158 PolarHBondContact SG-NE2 3.22Å; C136-H158 VanDerWaalsContact SG-NE2 3.39Å; M150-H158 HydrophobicContact SD-CB 3.81Å; D154-H158 VanDerWaalsContact O-CB 3.31Å; D154-H158 WeakPolarHBondContact O-CB 3.35Å; D154-H158 PolarHBondContact O-N 2.81Å; L155-H158 PolarHBondContact O-N 3.14Å; H158-S160 VanDerWaalsContact C-N 3.32Å; H158-G168 WeakPolarHBondContact O-CA 3.36Å; H158-H169 AromaticContact NE2-NE2 3.66Å
159	R	88.7	Confident	85.5	Confident	66 Å²	66	82.6 Å²	82.6	25%	0.249	42%	0.418	C	S	.	.	H	α-helix	trans	-76.8	-12.8	172.7	-74.2	-177.5	-177.4	-166.4	5.1	114.2	D134 L155 A156 K157 R178	D134-R159 IonicContact OD2-CZ 2.67Å; D134-R159 IonicContact OD2-NH1 3.75Å; D134-R159 IonicContact OD2-NH2 2.76Å; D134-R159 PolarHBondContact OD2-NH2 3.05Å; L155-R159 HydrophobicContact CD2-CG 4.48Å; L155-R159 WeakPolarHBondContact O-CB 3.46Å; L155-R159 VanDerWaalsContact O-CG 3.31Å; L155-R159 WeakPolarHBondContact O-CG 3.29Å; L155-R159 PolarHBondContact O-N 3.21Å; A156-R159 PolarHBondContact O-N 3.23Å; K157-R159 VanDerWaalsContact C-N 3.3Å; K157-R159 PolarHBondContact O-N 3.23Å; R159-R178 PolarHBondContact O-NH1 3.25Å
160	S	85.7	Confident	85.5	Confident	58 Å²	58	81.2 Å²	81.2	41%	0.406	41%	0.411	S	S	.	.	S	Bend	trans	-85.8	141.9	176.6	75.1	0	0	0	0	110.7	A156 K157 H158 D162	A156-S160 PolarHBondContact O-N 2.98Å; A156-S160 VanDerWaalsContact O-N 3.13Å; K157-S160 WeakPolarHBondContact O-CB 3.2Å; K157-S160 PolarHBondContact O-N 3.18Å; K157-S160 PolarHBondContact O-OG 3.34Å; H158-S160 VanDerWaalsContact C-N 3.32Å; S160-D162 PolarHBondContact O-N 2.98Å
161	W	85	Confident	85.5	Confident	70 Å²	70	82.3 Å²	82.3	27%	0.265	42%	0.417	S	S	.	.			trans	-86	108.2	179.7	178.3	-104.9	0	0	0	111.1	K163 K166 G168 P170 M182	W161-K163 PolarHBondContact O-N 3.19Å; W161-K166 HydrophobicContact CH2-CB 3.92Å; W161-K166 HydrophobicContact CZ2-CB 4.08Å; W161-K166 HydrophobicContact CZ2-CG 4.27Å; W161-G168 WeakPolarHBondContact CZ3-O 3.15Å; W161-P170 HydrophobicContact CD2-CB 4.07Å; W161-P170 HydrophobicContact CE3-CB 3.92Å; W161-P170 HydrophobicContact CE3-CG 4.28Å; W161-P170 HydrophobicContact CG-CB 4.46Å; W161-P170 HydrophobicContact CZ3-CB 4.38Å; W161-P170 HydrophobicContact CZ3-CG 4.38Å; W161-M182 HydrophobicContact CH2-CE 3.99Å; W161-M182 HydrophobicContact CZ2-CE 3.41Å; W161-M182 VanDerWaalsContact CZ2-CE 3.41Å
162	D	82	Confident	85.4	Confident	51 Å²	51	76 Å²	76	27%	0.273	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-78.4	99.7	170.8	-175	-27.4	0	0	0	109.1	S160 N164 K165 K166 K167	S160-D162 PolarHBondContact O-N 2.98Å; D162-N164 PolarHBondContact O-N 3Å; D162-N164 WeakPolarHBondContact OD1-CB 3.45Å; D162-N164 PolarHBondContact OD1-N 3.12Å; D162-K165 HydrophobicContact CB-CB 4.24Å; D162-K165 PolarHBondContact O-N 3.25Å; D162-K165 PolarHBondContact OD1-N 3.46Å; D162-K165 WeakPolarHBondContact OD2-CD 3.44Å; D162-K165 WeakPolarHBondContact OD2-CE 3.47Å; D162-K165 VanDerWaalsContact OD2-CG 3.31Å; D162-K165 WeakPolarHBondContact OD2-CG 3.48Å; D162-K165 IonicContact OD2-NZ 3.29Å; D162-K166 WeakPolarHBondContact O-CA 3.29Å; D162-K166 PolarHBondContact O-N 3.37Å; D162-K167 PolarHBondContact N-O 2.85Å
163	K	73.6	Confident	85.2	Confident	174 Å²	174	76.9 Å²	76.9	76%	0.757	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.5	179.4	-67.8	-173.6	178.4	-173.8	0	113.2	W161	W161-K163 PolarHBondContact O-N 3.19Å
164	N	74.7	Confident	84.9	Confident	156 Å²	156	75.7 Å²	75.7	83%	0.834	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-40.3	-176.2	-64	-17.2	0	0	0	111.3	D162	D162-N164 PolarHBondContact O-N 3Å; D162-N164 WeakPolarHBondContact OD1-CB 3.45Å; D162-N164 PolarHBondContact OD1-N 3.12Å
165	K	76.3	Confident	84.7	Confident	143 Å²	143	75 Å²	75	62%	0.622	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-9.9	-178.2	-60.3	-179.1	-162.9	161.3	0	113.9	D162 K167	D162-K165 HydrophobicContact CB-CB 4.24Å; D162-K165 PolarHBondContact O-N 3.25Å; D162-K165 PolarHBondContact OD1-N 3.46Å; D162-K165 WeakPolarHBondContact OD2-CD 3.44Å; D162-K165 WeakPolarHBondContact OD2-CE 3.47Å; D162-K165 VanDerWaalsContact OD2-CG 3.31Å; D162-K165 WeakPolarHBondContact OD2-CG 3.48Å; D162-K165 IonicContact OD2-NZ 3.29Å; K165-K167 HydrophobicContact CB-CB 4.3Å; K165-K167 HydrophobicContact CB-CD 4.36Å; K165-K167 HydrophobicContact CB-CG 4.34Å; K165-K167 PolarHBondContact O-N 3.25Å
166	K	75.3	Confident	84.6	Confident	156 Å²	156	81.4 Å²	81.4	68%	0.678	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	44.3	-169.9	-61	-173.1	176.7	-171.3	0	112.2	W161 D162	W161-K166 HydrophobicContact CH2-CB 3.92Å; W161-K166 HydrophobicContact CZ2-CB 4.08Å; W161-K166 HydrophobicContact CZ2-CG 4.27Å; D162-K166 WeakPolarHBondContact O-CA 3.29Å; D162-K166 PolarHBondContact O-N 3.37Å
167	K	77.7	Confident	84.5	Confident	149 Å²	149	81.7 Å²	81.7	65%	0.648	39%	0.393	S	S	*	.	B	Isolated β-bridge	trans	-125.4	149.5	-176.8	-75.4	179.2	-175.4	-174.9	0	111	D162 K165	D162-K167 PolarHBondContact N-O 2.85Å; K165-K167 HydrophobicContact CB-CB 4.3Å; K165-K167 HydrophobicContact CB-CD 4.36Å; K165-K167 HydrophobicContact CB-CG 4.34Å; K165-K167 PolarHBondContact O-N 3.25Å
168	G	85.4	Confident	84.6	Confident	25 Å²	25	81.1 Å²	81.1	26%	0.258	39%	0.388	S	S	.	.	S	Bend	trans	91.5	-167.6	-172.1	0	0	0	0	0	112.2	H158 W161	H158-G168 WeakPolarHBondContact O-CA 3.36Å; W161-G168 WeakPolarHBondContact CZ3-O 3.15Å
169	H	90.7	Very high	84.7	Confident	8 Å²	8	79.6 Å²	79.6	4%	0.037	38%	0.38	C	S	.	.			trans	-104.2	119.5	-171.6	-68.5	-44.3	0	0	0	111.8	C133 L135 C136 H158 F179 Y180	C133-H169 VanDerWaalsContact SG-CD2 3.59Å; C133-H169 PolarHBondContact SG-NE2 3.24Å; L135-H169 HydrophobicContact CD1-CB 3.76Å; C136-H169 PolarHBondContact SG-NE2 3.08Å; C136-H169 VanDerWaalsContact SG-NE2 3.45Å; H158-H169 AromaticContact NE2-NE2 3.66Å; H169-F179 VanDerWaalsContact CB-O 3.28Å; H169-F179 WeakPolarHBondContact CB-O 3.5Å; H169-Y180 AromaticContact CE1-CD2 3.54Å; H169-Y180 PolarHBondContact ND1-O 2.97Å
170	P	91	Very high	84.7	Confident	3 Å²	3	79 Å²	79	2%	0.019	38%	0.378	C	S	.	.			trans	-70.1	152.3	-179.7	29.8	-33.7	0	0	0	111.5	W161 R178 F179 E181 L185	W161-P170 HydrophobicContact CD2-CB 4.07Å; W161-P170 HydrophobicContact CE3-CB 3.92Å; W161-P170 HydrophobicContact CE3-CG 4.28Å; W161-P170 HydrophobicContact CG-CB 4.46Å; W161-P170 HydrophobicContact CZ3-CB 4.38Å; W161-P170 HydrophobicContact CZ3-CG 4.38Å; P170-R178 WeakPolarHBondContact O-CA 3.34Å; P170-F179 HydrophobicContact CG-CB 4.47Å; P170-F179 PolarHBondContact O-N 3.28Å; P170-E181 WeakPolarHBondContact CG-O 3.3Å; P170-L185 HydrophobicContact CB-CD2 3.9Å; P170-L185 HydrophobicContact CG-CB 4.41Å
171	L	90.4	Very high	84.8	Confident	57 Å²	57	80.9 Å²	80.9	30%	0.298	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-120.9	141.2	-176.5	176.7	143.9	0	0	0	109.5	E177 R178	L171-E177 CarbonylContact C-O 3.56Å; L171-E177 WeakPolarHBondContact CA-O 3.38Å; L171-R178 HydrophobicContact CB-CG 4.18Å; L171-R178 HydrophobicContact CD1-CG 3.92Å; L171-R178 HydrophobicContact CG-CG 4.34Å
172	C	89.6	Confident	84.9	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	39%	0.385	C	S	.	.			trans	-81.2	118.1	174.3	-177.3	0	0	0	0	110.8	F174 C175 Q176 E177 F179 L185 H188 H193	C172-F174 PolarHBondContact O-N 3.27Å; C172-F174 VanDerWaalsContact O-N 3.11Å; C172-C175 VanDerWaalsContact CB-SG 3.56Å; C172-Q176 WeakPolarHBondContact O-CA 3.38Å; C172-Q176 PolarHBondContact O-N 2.94Å; C172-E177 PolarHBondContact N-O 3.08Å; C172-F179 HydrophobicContact CB-CE2 4.01Å; C172-L185 HydrophobicContact CB-CD1 3.51Å; C172-H188 PolarHBondContact SG-NE2 3.2Å; C172-H188 VanDerWaalsContact SG-NE2 3.44Å; C172-H193 PolarHBondContact SG-NE2 3.03Å; C172-H193 VanDerWaalsContact SG-NE2 3.44Å
173	D	86.1	Confident	85.2	Confident	104 Å²	104	84.1 Å²	84.1	56%	0.556	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-13.1	179.2	-60.3	-51.9	0	0	0	113.4	R209	D173-R209 PolarHBondContact O-NH2 3.34Å
174	F	84.8	Confident	86	Confident	37 Å²	37	78.5 Å²	78.5	16%	0.162	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-43.9	-179.1	-55.6	-64.5	0	0	0	113.4	C172 H193 V207 R209	C172-F174 PolarHBondContact O-N 3.27Å; C172-F174 VanDerWaalsContact O-N 3.11Å; F174-H193 WeakPolarHBondContact CB-NE2 3.32Å; F174-H193 AromaticContact CD2-CD2 3.94Å; F174-V207 HydrophobicContact CD2-CG1 4.05Å; F174-V207 HydrophobicContact CE1-CB 4.49Å; F174-V207 HydrophobicContact CE2-CB 3.76Å; F174-V207 HydrophobicContact CE2-CG1 3.51Å; F174-V207 HydrophobicContact CE2-CG2 4.36Å; F174-V207 HydrophobicContact CZ-CB 3.63Å; F174-V207 HydrophobicContact CZ-CG1 3.82Å; F174-V207 HydrophobicContact CZ-CG2 4.44Å; F174-R209 HydrophobicContact CB-CG 4.14Å; F174-R209 HydrophobicContact CD1-CG 3.63Å; F174-R209 HydrophobicContact CG-CG 4.31Å
175	C	86.7	Confident	86.7	Confident	50 Å²	50	72 Å²	72	34%	0.338	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-5.3	-177.1	72.8	0	0	0	0	115.2	C172 E177 H188	C172-C175 VanDerWaalsContact CB-SG 3.56Å; C175-E177 PolarHBondContact O-N 3.44Å; C175-H188 VanDerWaalsContact SG-CE1 3.56Å; C175-H188 PolarHBondContact SG-NE2 3.42Å
176	Q	86.3	Confident	87.3	Confident	153 Å²	153	68 Å²	68	72%	0.715	33%	0.326	S	S	*	.			trans	62.9	11	-178.2	-54	-175.7	3.7	0	0	116.4	C172	C172-Q176 WeakPolarHBondContact O-CA 3.38Å; C172-Q176 PolarHBondContact O-N 2.94Å
177	E	87	Confident	87.9	Confident	62 Å²	62	63.9 Å²	63.9	29%	0.29	31%	0.314	S	S	.	.			trans	-69.1	150.7	170.6	-65.7	-171.9	166.5	0	0	112.1	L171 C172 C175 F179 H188 R387	L171-E177 CarbonylContact C-O 3.56Å; L171-E177 WeakPolarHBondContact CA-O 3.38Å; C172-E177 PolarHBondContact N-O 3.08Å; C175-E177 PolarHBondContact O-N 3.44Å; E177-F179 HydrophobicContact CB-CE2 3.69Å; E177-F179 HydrophobicContact CB-CZ 3.77Å; E177-F179 WeakPolarHBondContact O-CE2 3.48Å; E177-H188 IonicContact OE2-CE1 3.97Å; E177-R387 VanDerWaalsContact CD-NH1 3.27Å; E177-R387 IonicContact OE1-CZ 3.48Å; E177-R387 IonicContact OE1-NE 3.21Å; E177-R387 IonicContact OE1-NH1 2.75Å; E177-R387 PolarHBondContact OE1-NH1 3.49Å; E177-R387 VanDerWaalsContact OE1-NH1 3.11Å; E177-R387 IonicContact OE1-NH2 2.7Å; E177-R387 PolarHBondContact OE1-NH2 3.23Å; E177-R387 IonicContact OE2-CZ 2.8Å; E177-R387 IonicContact OE2-NH1 3.36Å; E177-R387 PolarHBondContact OE2-NH1 2.87Å; E177-R387 IonicContact OE2-NH2 2.79Å; E177-R387 PolarHBondContact OE2-NH2 2.86Å
178	R	90.2	Very high	88.5	Confident	119 Å²	119	57.3 Å²	57.3	45%	0.449	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-110.8	134.8	176.9	-61.9	-171.6	-164.6	-141.4	0.4	111.2	L135 R159 P170 L171	L135-R178 HydrophobicContact CD1-CB 3.96Å; R159-R178 PolarHBondContact O-NH1 3.25Å; P170-R178 WeakPolarHBondContact O-CA 3.34Å; L171-R178 HydrophobicContact CB-CG 4.18Å; L171-R178 HydrophobicContact CD1-CG 3.92Å; L171-R178 HydrophobicContact CG-CG 4.34Å
179	F	90.8	Very high	88.6	Confident	31 Å²	31	56.9 Å²	56.9	14%	0.136	28%	0.278	C	S	.	.			trans	-109.8	165.6	-176.2	-63.9	-85	0	0	0	110.4	H169 P170 C172 E177 D184 L185 H188	H169-F179 VanDerWaalsContact CB-O 3.28Å; H169-F179 WeakPolarHBondContact CB-O 3.5Å; P170-F179 HydrophobicContact CG-CB 4.47Å; P170-F179 PolarHBondContact O-N 3.28Å; C172-F179 HydrophobicContact CB-CE2 4.01Å; E177-F179 HydrophobicContact CB-CE2 3.69Å; E177-F179 HydrophobicContact CB-CZ 3.77Å; E177-F179 WeakPolarHBondContact O-CE2 3.48Å; F179-D184 HydrophobicContact CB-CB 3.78Å; F179-D184 HydrophobicContact CD1-CB 4.06Å; F179-D184 HydrophobicContact CG-CB 4.28Å; F179-L185 HydrophobicContact CB-CB 4.25Å; F179-L185 HydrophobicContact CD2-CB 4.13Å; F179-L185 HydrophobicContact CD2-CD1 3.73Å; F179-L185 HydrophobicContact CE2-CD1 3.95Å; F179-L185 HydrophobicContact CG-CB 4.23Å; F179-H188 HydrophobicContact CD1-CB 4.23Å; F179-H188 HydrophobicContact CE1-CB 3.6Å; F179-H188 AromaticContact CE1-CG 3.64Å; F179-H188 AromaticContact CE1-ND1 3.92Å; F179-H188 HydrophobicContact CE2-CB 4.29Å; F179-H188 AromaticContact CE2-CD2 3.58Å; F179-H188 AromaticContact CE2-CG 3.79Å; F179-H188 AromaticContact CE2-NE2 3.99Å; F179-H188 HydrophobicContact CZ-CB 3.66Å; F179-H188 AromaticContact CZ-CD2 3.43Å; F179-H188 VanDerWaalsContact CZ-CD2 3.43Å; F179-H188 WeakPolarHBondContact CZ-CD2 3.2Å; F179-H188 AromaticContact CZ-CE1 3.75Å; F179-H188 AromaticContact CZ-CG 3.17Å; F179-H188 AromaticContact CZ-ND1 3.4Å; F179-H188 WeakPolarHBondContact CZ-ND1 3.42Å; F179-H188 AromaticContact CZ-NE2 3.78Å
180	Y	88.7	Confident	88.4	Confident	52 Å²	52	63 Å²	63	20%	0.204	30%	0.301	C	S	.	.	S	Bend	trans	-80.3	-52.3	-176.7	172.8	-103.3	0	0	0	110.3	L135 Y139 A140 H169 D184	L135-Y180 HydrophobicContact CB-CD2 4.44Å; Y139-Y180 HydrophobicContact CD2-CG 4.23Å; Y139-Y180 HydrophobicContact CG-CG 4.23Å; A140-Y180 HydrophobicContact CB-CE2 3.93Å; A140-Y180 WeakPolarHBondContact CB-OH 3.45Å; H169-Y180 AromaticContact CE1-CD2 3.54Å; H169-Y180 PolarHBondContact ND1-O 2.97Å; Y180-D184 WeakPolarHBondContact CB-OD2 3.38Å; Y180-D184 PolarHBondContact N-OD2 2.62Å
181	E	88.1	Confident	88.2	Confident	99 Å²	99	68.9 Å²	68.9	46%	0.463	33%	0.332	S	S	.	.	S	Bend	trans	-116.4	175.8	175.5	-79	167.6	-176.2	0	0	112.4	P170 E183 D184	P170-E181 WeakPolarHBondContact CG-O 3.3Å; E181-E183 VanDerWaalsContact C-N 3.34Å; E181-D184 PolarHBondContact N-OD2 3.27Å
182	M	87.3	Confident	87.9	Confident	69 Å²	69	70.6 Å²	70.6	34%	0.34	34%	0.34	S	S	.	.	H	α-helix	trans	-74.7	-30.9	-179	175.8	165.3	-79.3	0	0	111.6	W161 L185 I186	W161-M182 HydrophobicContact CH2-CE 3.99Å; W161-M182 HydrophobicContact CZ2-CE 3.41Å; W161-M182 VanDerWaalsContact CZ2-CE 3.41Å; M182-L185 WeakPolarHBondContact O-CB 3.43Å; M182-L185 PolarHBondContact O-N 3.01Å; M182-L185 VanDerWaalsContact O-N 3.16Å; M182-I186 HydrophobicContact CG-CD1 3.95Å; M182-I186 WeakPolarHBondContact O-CG1 3.47Å; M182-I186 PolarHBondContact O-N 3.47Å
183	E	89.4	Confident	87.8	Confident	119 Å²	119	71.8 Å²	71.8	56%	0.556	35%	0.346	S	S	*	.	H	α-helix	trans	-62.2	-43.1	177.6	-69.3	60.5	-145.3	0	0	110.5	E181 L185 I186 T187	E181-E183 VanDerWaalsContact C-N 3.34Å; E183-L185 VanDerWaalsContact C-N 3.32Å; E183-L185 PolarHBondContact O-N 2.92Å; E183-I186 PolarHBondContact O-N 3.32Å; E183-T187 PolarHBondContact O-N 3.19Å; E183-T187 PolarHBondContact O-OG1 3.03Å
184	D	89.3	Confident	87.8	Confident	56 Å²	56	70.8 Å²	70.8	30%	0.299	34%	0.337	S	S	.	.	H	α-helix	trans	-60.2	-37.8	171.8	-66.1	-36.5	0	0	0	112.8	F179 Y180 E181 T187 H188	F179-D184 HydrophobicContact CB-CB 3.78Å; F179-D184 HydrophobicContact CD1-CB 4.06Å; F179-D184 HydrophobicContact CG-CB 4.28Å; Y180-D184 WeakPolarHBondContact CB-OD2 3.38Å; Y180-D184 PolarHBondContact N-OD2 2.62Å; E181-D184 PolarHBondContact N-OD2 3.27Å; D184-T187 PolarHBondContact O-OG1 3.3Å; D184-H188 VanDerWaalsContact O-CB 3.24Å; D184-H188 WeakPolarHBondContact O-CB 3.45Å; D184-H188 PolarHBondContact O-N 3.2Å
185	L	89.7	Confident	87.9	Confident	21 Å²	21	70.4 Å²	70.4	11%	0.11	34%	0.337	C	S	.	.	H	α-helix	trans	-71	-36.6	176.8	174	60.9	0	0	0	110.8	P170 C172 F179 M182 E183 I189	P170-L185 HydrophobicContact CB-CD2 3.9Å; P170-L185 HydrophobicContact CG-CB 4.41Å; C172-L185 HydrophobicContact CB-CD1 3.51Å; F179-L185 HydrophobicContact CB-CB 4.25Å; F179-L185 HydrophobicContact CD2-CB 4.13Å; F179-L185 HydrophobicContact CD2-CD1 3.73Å; F179-L185 HydrophobicContact CE2-CD1 3.95Å; F179-L185 HydrophobicContact CG-CB 4.23Å; M182-L185 WeakPolarHBondContact O-CB 3.43Å; M182-L185 PolarHBondContact O-N 3.01Å; M182-L185 VanDerWaalsContact O-N 3.16Å; E183-L185 VanDerWaalsContact C-N 3.32Å; E183-L185 PolarHBondContact O-N 2.92Å; L185-I189 HydrophobicContact CD1-CD1 3.81Å; L185-I189 HydrophobicContact CD1-CG1 4.04Å; L185-I189 HydrophobicContact CG-CD1 3.88Å; L185-I189 HydrophobicContact CG-CG1 4.5Å; L185-I189 WeakPolarHBondContact O-CB 3.3Å; L185-I189 VanDerWaalsContact O-CG1 3.28Å; L185-I189 WeakPolarHBondContact O-CG1 3.42Å; L185-I189 PolarHBondContact O-N 3.47Å
186	I	88.1	Confident	88	Confident	57 Å²	57	68.1 Å²	68.1	29%	0.292	32%	0.321	S	S	.	.	H	α-helix	trans	-69.4	-39.1	178.9	-69.3	163.7	0	0	0	111.4	M182 E183 R190	M182-I186 HydrophobicContact CG-CD1 3.95Å; M182-I186 WeakPolarHBondContact O-CG1 3.47Å; M182-I186 PolarHBondContact O-N 3.47Å; E183-I186 PolarHBondContact O-N 3.32Å; I186-R190 WeakPolarHBondContact O-CG 3.34Å; I186-R190 PolarHBondContact O-N 3.14Å
187	T	89	Confident	87.9	Confident	70 Å²	70	65.3 Å²	65.3	43%	0.429	31%	0.311	S	S	.	.	H	α-helix	trans	-66.3	-49.5	172.1	50.8	0	0	0	0	110.7	E183 D184 I189 R190 D191	E183-T187 PolarHBondContact O-N 3.19Å; E183-T187 PolarHBondContact O-OG1 3.03Å; D184-T187 PolarHBondContact O-OG1 3.3Å; T187-I189 VanDerWaalsContact C-N 3.29Å; T187-I189 PolarHBondContact O-N 3.26Å; T187-R190 PolarHBondContact O-N 3.49Å; T187-D191 WeakPolarHBondContact O-CB 3.28Å; T187-D191 PolarHBondContact O-N 3.32Å
188	H	89.8	Confident	87.8	Confident	11 Å²	11	64 Å²	64	5%	0.051	31%	0.305	C	S	.	.	H	α-helix	trans	-51	-44.7	174.6	166.6	72.6	0	0	0	113.6	C172 C175 E177 F179 D184 R190 D191 L192 H193	C172-H188 PolarHBondContact SG-NE2 3.2Å; C172-H188 VanDerWaalsContact SG-NE2 3.44Å; C175-H188 VanDerWaalsContact SG-CE1 3.56Å; C175-H188 PolarHBondContact SG-NE2 3.42Å; E177-H188 IonicContact OE2-CE1 3.97Å; F179-H188 HydrophobicContact CD1-CB 4.23Å; F179-H188 HydrophobicContact CE1-CB 3.6Å; F179-H188 AromaticContact CE1-CG 3.64Å; F179-H188 AromaticContact CE1-ND1 3.92Å; F179-H188 HydrophobicContact CE2-CB 4.29Å; F179-H188 AromaticContact CE2-CD2 3.58Å; F179-H188 AromaticContact CE2-CG 3.79Å; F179-H188 AromaticContact CE2-NE2 3.99Å; F179-H188 HydrophobicContact CZ-CB 3.66Å; F179-H188 AromaticContact CZ-CD2 3.43Å; F179-H188 VanDerWaalsContact CZ-CD2 3.43Å; F179-H188 WeakPolarHBondContact CZ-CD2 3.2Å; F179-H188 AromaticContact CZ-CE1 3.75Å; F179-H188 AromaticContact CZ-CG 3.17Å; F179-H188 AromaticContact CZ-ND1 3.4Å; F179-H188 WeakPolarHBondContact CZ-ND1 3.42Å; F179-H188 AromaticContact CZ-NE2 3.78Å; D184-H188 VanDerWaalsContact O-CB 3.24Å; D184-H188 WeakPolarHBondContact O-CB 3.45Å; D184-H188 PolarHBondContact O-N 3.2Å; H188-R190 VanDerWaalsContact C-N 3.34Å; H188-R190 PolarHBondContact O-N 3.19Å; H188-D191 PolarHBondContact O-N 3.11Å; H188-L192 PolarHBondContact O-N 3.15Å; H188-H193 AromaticContact CE1-NE2 3.99Å; H188-H193 AromaticContact NE2-CD2 3.8Å; H188-H193 AromaticContact NE2-NE2 3.39Å; H188-H193 PolarHBondContact NE2-NE2 2.81Å
189	I	88.1	Confident	87.6	Confident	17 Å²	17	58.7 Å²	58.7	9%	0.087	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-36.9	177.9	-76.1	169.2	0	0	0	111.9	L185 T187 H193 V207	L185-I189 HydrophobicContact CD1-CD1 3.81Å; L185-I189 HydrophobicContact CD1-CG1 4.04Å; L185-I189 HydrophobicContact CG-CD1 3.88Å; L185-I189 HydrophobicContact CG-CG1 4.5Å; L185-I189 WeakPolarHBondContact O-CB 3.3Å; L185-I189 VanDerWaalsContact O-CG1 3.28Å; L185-I189 WeakPolarHBondContact O-CG1 3.42Å; L185-I189 PolarHBondContact O-N 3.47Å; T187-I189 VanDerWaalsContact C-N 3.29Å; T187-I189 PolarHBondContact O-N 3.26Å; I189-H193 WeakPolarHBondContact O-CB 3.4Å; I189-H193 PolarHBondContact O-N 2.95Å; I189-V207 HydrophobicContact CG2-CG1 3.84Å; I189-V207 HydrophobicContact CG2-CG2 4.1Å
190	R	86.2	Confident	87.2	Confident	137 Å²	137	60.6 Å²	60.6	52%	0.517	30%	0.297	S	S	.	.	H	α-helix	trans	-73.7	-33.5	177.4	-71.3	168.6	176.8	167.8	1.5	113.1	I186 T187 H188 L195	I186-R190 WeakPolarHBondContact O-CG 3.34Å; I186-R190 PolarHBondContact O-N 3.14Å; T187-R190 PolarHBondContact O-N 3.49Å; H188-R190 VanDerWaalsContact C-N 3.34Å; H188-R190 PolarHBondContact O-N 3.19Å; R190-L195 HydrophobicContact CB-CD1 4.33Å; R190-L195 HydrophobicContact CG-CD1 3.94Å
191	D	86	Confident	86.8	Confident	125 Å²	125	63.5 Å²	63.5	67%	0.668	32%	0.32	S	S	*	.	H	α-helix	trans	-88.9	-26.8	-172.6	-60.7	-18.9	0	0	0	113	T187 H188	T187-D191 WeakPolarHBondContact O-CB 3.28Å; T187-D191 PolarHBondContact O-N 3.32Å; H188-D191 PolarHBondContact O-N 3.11Å
192	L	85.6	Confident	86.5	Confident	93 Å²	93	62.6 Å²	62.6	49%	0.487	32%	0.322	S	S	.	.	H	α-helix	trans	-127.9	-2.8	-172.4	-66	-177.1	0	0	0	115.9	H188	H188-L192 PolarHBondContact O-N 3.15Å
193	H	87.5	Confident	86.1	Confident	25 Å²	25	60.9 Å²	60.9	12%	0.116	32%	0.322	C	S	.	.	S	Bend	trans	-122.7	151.6	174.1	-66.1	-51.9	0	0	0	111.8	C172 F174 H188 I189 V207	C172-H193 PolarHBondContact SG-NE2 3.03Å; C172-H193 VanDerWaalsContact SG-NE2 3.44Å; F174-H193 WeakPolarHBondContact CB-NE2 3.32Å; F174-H193 AromaticContact CD2-CD2 3.94Å; H188-H193 AromaticContact CE1-NE2 3.99Å; H188-H193 AromaticContact NE2-CD2 3.8Å; H188-H193 AromaticContact NE2-NE2 3.39Å; H188-H193 PolarHBondContact NE2-NE2 2.81Å; I189-H193 WeakPolarHBondContact O-CB 3.4Å; I189-H193 PolarHBondContact O-N 2.95Å; H193-V207 HydrophobicContact CB-CG1 3.73Å
194	F	85.5	Confident	85.6	Confident	83 Å²	83	61.3 Å²	61.3	36%	0.364	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	128.1	-171.3	-65.8	-81.5	0	0	0	109.6	V207 F208 Q211 L214	F194-V207 CarbonylContact O-C 3.58Å; F194-V207 WeakPolarHBondContact O-CA 3.46Å; F194-F208 HydrophobicContact CB-CB 4.12Å; F194-F208 PolarHBondContact N-O 3.16Å; F194-F208 VanDerWaalsContact N-O 3.08Å; F194-F208 PolarHBondContact O-N 3.29Å; F194-Q211 HydrophobicContact CD1-CB 4.47Å; F194-Q211 HydrophobicContact CE1-CB 4.07Å; F194-Q211 HydrophobicContact CZ-CB 4.09Å; F194-L214 HydrophobicContact CB-CB 4.28Å; F194-L214 HydrophobicContact CB-CD2 3.99Å; F194-L214 HydrophobicContact CD1-CD2 4.46Å
195	L	87.3	Confident	85.1	Confident	30 Å²	30	61.7 Å²	61.7	16%	0.157	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	146.9	-179.3	-68.2	173.4	0	0	0	110.2	R190 V207	R190-L195 HydrophobicContact CB-CD1 4.33Å; R190-L195 HydrophobicContact CG-CD1 3.94Å; L195-V207 HydrophobicContact CD2-CB 4.17Å; L195-V207 HydrophobicContact CD2-CG1 4.08Å; L195-V207 HydrophobicContact CD2-CG2 3.71Å
196	C	87.9	Confident	84.7	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.014	32%	0.321	C	S	.	.			trans	-88.6	106.9	169.2	177	0	0	0	0	110.2	L198 C199 M200 F208 L214 H217 Y218 H222	C196-L198 VanDerWaalsContact C-N 3.29Å; C196-L198 PolarHBondContact O-N 3.17Å; C196-C199 HydrophobicContact CB-CB 3.94Å; C196-C199 PolarHBondContact O-N 3.13Å; C196-C199 PolarHBondContact SG-N 3.1Å; C196-C199 VanDerWaalsContact SG-N 3.37Å; C196-M200 WeakPolarHBondContact O-CB 3.49Å; C196-M200 PolarHBondContact O-N 3.18Å; C196-F208 HydrophobicContact CB-CE2 4.1Å; C196-L214 HydrophobicContact CB-CD1 3.84Å; C196-H217 WeakPolarHBondContact CB-NE2 3.44Å; C196-H217 PolarHBondContact SG-NE2 3.38Å; C196-Y218 HydrophobicContact CB-CE1 4.45Å; C196-Y218 WeakPolarHBondContact SG-CE1 3.2Å; C196-H222 VanDerWaalsContact SG-CD2 3.59Å; C196-H222 PolarHBondContact SG-NE2 2.78Å
197	D	84.1	Confident	84.6	Confident	94 Å²	94	59.6 Å²	59.6	50%	0.503	31%	0.311	S	S	.	.	H	α-helix	trans	-60.6	-38.9	-179.6	-69.4	-50	0	0	0	112.1	M200 T201	D197-M200 WeakPolarHBondContact O-CB 3.2Å; D197-M200 PolarHBondContact O-N 2.94Å; D197-M200 VanDerWaalsContact OD1-CE 3.32Å; D197-M200 WeakPolarHBondContact OD1-CE 3.36Å; D197-T201 WeakPolarHBondContact O-CG2 3.31Å; D197-T201 PolarHBondContact O-N 3.21Å
198	L	85	Confident	84.4	Confident	33 Å²	33	57.1 Å²	57.1	17%	0.173	30%	0.295	C	S	.	.	H	α-helix	trans	-63.1	-49.6	178.2	-60.9	-179.4	0	0	0	111.1	C196 M200 T201 T202 Y218 H222 C236 A238	C196-L198 VanDerWaalsContact C-N 3.29Å; C196-L198 PolarHBondContact O-N 3.17Å; L198-M200 VanDerWaalsContact C-N 3.31Å; L198-M200 PolarHBondContact O-N 3.47Å; L198-T201 PolarHBondContact O-N 3.13Å; L198-T201 PolarHBondContact O-OG1 3.42Å; L198-T202 PolarHBondContact O-N 3.39Å; L198-Y218 HydrophobicContact CD1-CD1 4.31Å; L198-Y218 HydrophobicContact CD1-CE1 4.18Å; L198-Y218 HydrophobicContact CG-CE1 4.29Å; L198-H222 WeakPolarHBondContact CB-NE2 3.45Å; L198-H222 HydrophobicContact CD1-CB 3.85Å; L198-C236 HydrophobicContact CD1-CB 4.11Å; L198-C236 VanDerWaalsContact CD1-SG 3.57Å; L198-A238 HydrophobicContact CD2-CB 4.35Å
199	C	85.5	Confident	84.1	Confident	8 Å²	8	63.3 Å²	63.3	5%	0.054	32%	0.318	C	S	.	.	H	α-helix	trans	-59.1	-40.1	172	-86.9	0	0	0	0	112.4	C196 T201 T202 G203 K204 V206 H222	C196-C199 HydrophobicContact CB-CB 3.94Å; C196-C199 PolarHBondContact O-N 3.13Å; C196-C199 PolarHBondContact SG-N 3.1Å; C196-C199 VanDerWaalsContact SG-N 3.37Å; C199-T201 VanDerWaalsContact C-N 3.33Å; C199-T201 PolarHBondContact O-N 3Å; C199-T202 CarbonylContact O-C 3.57Å; C199-T202 WeakPolarHBondContact O-CA 3.48Å; C199-T202 PolarHBondContact O-N 3.43Å; C199-T202 PolarHBondContact O-OG1 3.03Å; C199-G203 PolarHBondContact O-N 3.32Å; C199-K204 CarbonylContact C-O 3.57Å; C199-K204 HydrophobicContact CB-CB 4.04Å; C199-K204 WeakPolarHBondContact CB-O 3.44Å; C199-K204 PolarHBondContact O-N 3.03Å; C199-V206 HydrophobicContact CB-CG2 4.03Å; C199-H222 PolarHBondContact SG-NE2 3.03Å; C199-H222 VanDerWaalsContact SG-NE2 3.36Å
200	M	82.5	Confident	83.8	Confident	71 Å²	71	67.8 Å²	67.8	35%	0.35	34%	0.338	S	S	.	.	H	α-helix	trans	-60	-39.9	177.2	-179.2	168.4	56.8	0	0	112.2	C196 D197 L198 T202 G203 K204 F205	C196-M200 WeakPolarHBondContact O-CB 3.49Å; C196-M200 PolarHBondContact O-N 3.18Å; D197-M200 WeakPolarHBondContact O-CB 3.2Å; D197-M200 PolarHBondContact O-N 2.94Å; D197-M200 VanDerWaalsContact OD1-CE 3.32Å; D197-M200 WeakPolarHBondContact OD1-CE 3.36Å; L198-M200 VanDerWaalsContact C-N 3.31Å; L198-M200 PolarHBondContact O-N 3.47Å; M200-T202 PolarHBondContact O-N 2.99Å; M200-G203 PolarHBondContact O-N 3.44Å; M200-K204 PolarHBondContact N-O 2.84Å; M200-F205 HydrophobicContact CG-CE1 3.96Å; M200-F205 HydrophobicContact SD-CE1 4.08Å
201	T	81.6	Confident	83.6	Confident	114 Å²	114	65 Å²	65	70%	0.699	33%	0.331	S	S	*	.	H	α-helix	trans	-63.7	-23.9	173	65.7	0	0	0	0	113.8	D197 L198 C199 G203	D197-T201 WeakPolarHBondContact O-CG2 3.31Å; D197-T201 PolarHBondContact O-N 3.21Å; L198-T201 PolarHBondContact O-N 3.13Å; L198-T201 PolarHBondContact O-OG1 3.42Å; C199-T201 VanDerWaalsContact C-N 3.33Å; C199-T201 PolarHBondContact O-N 3Å; T201-G203 VanDerWaalsContact C-N 3.32Å
202	T	81	Confident	83.5	Confident	80 Å²	80	61.9 Å²	61.9	49%	0.491	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	7.1	173.4	72.1	0	0	0	0	114	L198 C199 M200 K204	L198-T202 PolarHBondContact O-N 3.39Å; C199-T202 CarbonylContact O-C 3.57Å; C199-T202 WeakPolarHBondContact O-CA 3.48Å; C199-T202 PolarHBondContact O-N 3.43Å; C199-T202 PolarHBondContact O-OG1 3.03Å; M200-T202 PolarHBondContact O-N 2.99Å; T202-K204 VanDerWaalsContact C-N 3.31Å
203	G	78.5	Confident	83.5	Confident	33 Å²	33	60.3 Å²	60.3	34%	0.34	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	15.7	-176.1	0	0	0	0	0	114.4	C199 M200 T201	C199-G203 PolarHBondContact O-N 3.32Å; M200-G203 PolarHBondContact O-N 3.44Å; T201-G203 VanDerWaalsContact C-N 3.32Å
204	K	78.7	Confident	83.4	Confident	128 Å²	128	59.5 Å²	59.5	56%	0.557	31%	0.305	S	S	*	.			trans	-103.7	109.7	177.7	-64.3	176	-172.9	168.3	0	110.1	C199 M200 T202 V206	C199-K204 CarbonylContact C-O 3.57Å; C199-K204 HydrophobicContact CB-CB 4.04Å; C199-K204 WeakPolarHBondContact CB-O 3.44Å; C199-K204 PolarHBondContact O-N 3.03Å; M200-K204 PolarHBondContact N-O 2.84Å; T202-K204 VanDerWaalsContact C-N 3.31Å; K204-V206 HydrophobicContact CB-CG2 4.32Å; K204-V206 PolarHBondContact O-N 3.4Å
205	F	78.9	Confident	83.3	Confident	63 Å²	63	57.9 Å²	57.9	28%	0.276	30%	0.3	S	S	.	.			trans	-84.5	95.8	171.7	-64.2	-80.6	0	0	0	109.9	M200 T593	M200-F205 HydrophobicContact CG-CE1 3.96Å; M200-F205 HydrophobicContact SD-CE1 4.08Å; F205-T593 WeakPolarHBondContact CD2-OG1 3.37Å; F205-T593 WeakPolarHBondContact CE2-OG1 3.45Å
206	V	81.9	Confident	83.2	Confident	19 Å²	19	60.6 Å²	60.6	12%	0.115	32%	0.315	C	S	.	.			trans	-106.7	131.2	172.3	-162.4	0	0	0	0	108.2	C199 K204 F208 V598	C199-V206 HydrophobicContact CB-CG2 4.03Å; K204-V206 HydrophobicContact CB-CG2 4.32Å; K204-V206 PolarHBondContact O-N 3.4Å; V206-F208 HydrophobicContact CB-CE2 4.15Å; V206-F208 HydrophobicContact CB-CZ 4.16Å; V206-F208 HydrophobicContact CG1-CE1 4.1Å; V206-F208 HydrophobicContact CG1-CE2 3.8Å; V206-F208 HydrophobicContact CG1-CZ 3.37Å; V206-V598 HydrophobicContact CG1-CG2 3.97Å
207	V	85	Confident	83.3	Confident	15 Å²	15	61.7 Å²	61.7	9%	0.091	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.6	-168.4	-165	0	0	0	0	109.7	F174 I189 H193 F194 L195	F174-V207 HydrophobicContact CD2-CG1 4.05Å; F174-V207 HydrophobicContact CE1-CB 4.49Å; F174-V207 HydrophobicContact CE2-CB 3.76Å; F174-V207 HydrophobicContact CE2-CG1 3.51Å; F174-V207 HydrophobicContact CE2-CG2 4.36Å; F174-V207 HydrophobicContact CZ-CB 3.63Å; F174-V207 HydrophobicContact CZ-CG1 3.82Å; F174-V207 HydrophobicContact CZ-CG2 4.44Å; I189-V207 HydrophobicContact CG2-CG1 3.84Å; I189-V207 HydrophobicContact CG2-CG2 4.1Å; H193-V207 HydrophobicContact CB-CG1 3.73Å; F194-V207 CarbonylContact O-C 3.58Å; F194-V207 WeakPolarHBondContact O-CA 3.46Å; L195-V207 HydrophobicContact CD2-CB 4.17Å; L195-V207 HydrophobicContact CD2-CG1 4.08Å; L195-V207 HydrophobicContact CD2-CG2 3.71Å
208	F	85.5	Confident	83.4	Confident	19 Å²	19	58.4 Å²	58.4	8%	0.083	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147	-174.8	-54.6	-83.1	0	0	0	111.1	F194 C196 V206 E213 L214 H217	F194-F208 HydrophobicContact CB-CB 4.12Å; F194-F208 PolarHBondContact N-O 3.16Å; F194-F208 VanDerWaalsContact N-O 3.08Å; F194-F208 PolarHBondContact O-N 3.29Å; C196-F208 HydrophobicContact CB-CE2 4.1Å; V206-F208 HydrophobicContact CB-CE2 4.15Å; V206-F208 HydrophobicContact CB-CZ 4.16Å; V206-F208 HydrophobicContact CG1-CE1 4.1Å; V206-F208 HydrophobicContact CG1-CE2 3.8Å; V206-F208 HydrophobicContact CG1-CZ 3.37Å; F208-E213 HydrophobicContact CB-CB 4Å; F208-E213 HydrophobicContact CD1-CB 3.85Å; F208-E213 HydrophobicContact CG-CB 4.29Å; F208-L214 HydrophobicContact CB-CB 4.34Å; F208-L214 HydrophobicContact CD2-CB 4Å; F208-L214 HydrophobicContact CD2-CD1 3.74Å; F208-L214 HydrophobicContact CD2-CG 4.44Å; F208-L214 HydrophobicContact CE2-CD1 3.76Å; F208-L214 HydrophobicContact CG-CB 4.19Å; F208-H217 HydrophobicContact CE1-CB 3.72Å; F208-H217 AromaticContact CE1-CG 3.96Å; F208-H217 HydrophobicContact CE2-CB 4.26Å; F208-H217 AromaticContact CE2-CD2 3.65Å; F208-H217 AromaticContact CE2-CG 3.96Å; F208-H217 HydrophobicContact CZ-CB 3.48Å; F208-H217 VanDerWaalsContact CZ-CB 3.48Å; F208-H217 AromaticContact CZ-CD2 3.4Å; F208-H217 WeakPolarHBondContact CZ-CD2 3.49Å; F208-H217 AromaticContact CZ-CG 3.24Å; F208-H217 AromaticContact CZ-ND1 3.69Å; F208-H217 AromaticContact CZ-NE2 3.9Å
209	R	82.6	Confident	83.3	Confident	141 Å²	141	58.9 Å²	58.9	53%	0.532	31%	0.313	S	S	.	.	S	Bend	trans	-76.3	-33.2	177	-67	-174.5	168.7	111.9	4.3	111.6	D173 F174 E213	D173-R209 PolarHBondContact O-NH2 3.34Å; F174-R209 HydrophobicContact CB-CG 4.14Å; F174-R209 HydrophobicContact CD1-CG 3.63Å; F174-R209 HydrophobicContact CG-CG 4.31Å; R209-E213 WeakPolarHBondContact CA-OE2 3.35Å; R209-E213 WeakPolarHBondContact CB-OE2 3.41Å; R209-E213 PolarHBondContact N-OE2 3.43Å
210	Q	82.8	Confident	83.3	Confident	110 Å²	110	66.1 Å²	66.1	51%	0.514	35%	0.346	S	S	.	.	S	Bend	trans	-134.5	153.9	-170.7	-61.1	176.9	92.6	0	0	112.4	C212 E213 L214	Q210-C212 VanDerWaalsContact C-N 3.27Å; Q210-C212 VanDerWaalsContact CB-SG 3.52Å; Q210-C212 PolarHBondContact O-N 2.95Å; Q210-E213 HydrophobicContact CB-CG 4.21Å; Q210-E213 PolarHBondContact N-OE2 3.48Å; Q210-E213 PolarHBondContact NE2-OE1 3.11Å; Q210-E213 PolarHBondContact O-N 2.94Å; Q210-L214 PolarHBondContact O-N 3.21Å
211	Q	82.6	Confident	83.3	Confident	78 Å²	78	65.4 Å²	65.4	36%	0.364	35%	0.348	S	S	.	.	H	α-helix	trans	-63	-30.2	178.6	-178.6	61.5	26.8	0	0	112.9	F194 L214 L215	F194-Q211 HydrophobicContact CD1-CB 4.47Å; F194-Q211 HydrophobicContact CE1-CB 4.07Å; F194-Q211 HydrophobicContact CZ-CB 4.09Å; Q211-L214 PolarHBondContact O-N 3.46Å; Q211-L215 HydrophobicContact CG-CD1 4.1Å; Q211-L215 HydrophobicContact CG-CG 4.46Å; Q211-L215 VanDerWaalsContact O-CG 3.26Å; Q211-L215 WeakPolarHBondContact O-CG 3.46Å; Q211-L215 PolarHBondContact O-N 2.81Å
212	C	82.6	Confident	83.6	Confident	60 Å²	60	61.1 Å²	61.1	41%	0.405	32%	0.32	S	S	.	.	H	α-helix	trans	-63	-50.3	174.4	45.1	0	0	0	0	111.8	Q210 L214 L215 D216	Q210-C212 VanDerWaalsContact C-N 3.27Å; Q210-C212 VanDerWaalsContact CB-SG 3.52Å; Q210-C212 PolarHBondContact O-N 2.95Å; C212-L214 PolarHBondContact O-N 2.74Å; C212-L215 WeakPolarHBondContact O-CA 3.38Å; C212-L215 WeakPolarHBondContact O-CB 3.32Å; C212-L215 PolarHBondContact O-N 3Å; C212-D216 PolarHBondContact O-N 3.26Å
213	E	85.2	Confident	83.9	Confident	60 Å²	60	60.5 Å²	60.5	28%	0.28	31%	0.312	S	S	.	.	H	α-helix	trans	-55	-38.4	177.6	-59.7	161.6	-161.7	0	0	111.9	F208 R209 Q210 H217	F208-E213 HydrophobicContact CB-CB 4Å; F208-E213 HydrophobicContact CD1-CB 3.85Å; F208-E213 HydrophobicContact CG-CB 4.29Å; R209-E213 WeakPolarHBondContact CA-OE2 3.35Å; R209-E213 WeakPolarHBondContact CB-OE2 3.41Å; R209-E213 PolarHBondContact N-OE2 3.43Å; Q210-E213 HydrophobicContact CB-CG 4.21Å; Q210-E213 PolarHBondContact N-OE2 3.48Å; Q210-E213 PolarHBondContact NE2-OE1 3.11Å; Q210-E213 PolarHBondContact O-N 2.94Å; E213-H217 WeakPolarHBondContact O-CB 3.44Å; E213-H217 PolarHBondContact O-N 3.02Å
214	L	86	Confident	84.3	Confident	8 Å²	8	60.6 Å²	60.6	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-69.6	-39.1	173.6	176	61.5	0	0	0	112.9	F194 C196 F208 Q210 Q211 C212 H217 Y218	F194-L214 HydrophobicContact CB-CB 4.28Å; F194-L214 HydrophobicContact CB-CD2 3.99Å; F194-L214 HydrophobicContact CD1-CD2 4.46Å; C196-L214 HydrophobicContact CB-CD1 3.84Å; F208-L214 HydrophobicContact CB-CB 4.34Å; F208-L214 HydrophobicContact CD2-CB 4Å; F208-L214 HydrophobicContact CD2-CD1 3.74Å; F208-L214 HydrophobicContact CD2-CG 4.44Å; F208-L214 HydrophobicContact CE2-CD1 3.76Å; F208-L214 HydrophobicContact CG-CB 4.19Å; Q210-L214 PolarHBondContact O-N 3.21Å; Q211-L214 PolarHBondContact O-N 3.46Å; C212-L214 PolarHBondContact O-N 2.74Å; L214-H217 PolarHBondContact O-N 2.98Å; L214-Y218 HydrophobicContact CD1-CD2 4.1Å; L214-Y218 HydrophobicContact CD1-CE1 4.39Å; L214-Y218 HydrophobicContact CD1-CE2 3.61Å; L214-Y218 HydrophobicContact CD2-CE2 3.9Å; L214-Y218 HydrophobicContact CG-CD2 3.95Å; L214-Y218 HydrophobicContact CG-CE2 3.52Å; L214-Y218 VanDerWaalsContact O-CD2 3.22Å; L214-Y218 WeakPolarHBondContact O-CD2 3.49Å; L214-Y218 PolarHBondContact O-N 3.27Å
215	L	83.7	Confident	84.7	Confident	49 Å²	49	54.5 Å²	54.5	26%	0.257	28%	0.278	S	S	.	.	H	α-helix	trans	-68.5	-36.8	177.4	-73.3	168.4	0	0	0	112.6	Q211 C212 Y218 G219 I234	Q211-L215 HydrophobicContact CG-CD1 4.1Å; Q211-L215 HydrophobicContact CG-CG 4.46Å; Q211-L215 VanDerWaalsContact O-CG 3.26Å; Q211-L215 WeakPolarHBondContact O-CG 3.46Å; Q211-L215 PolarHBondContact O-N 2.81Å; C212-L215 WeakPolarHBondContact O-CA 3.38Å; C212-L215 WeakPolarHBondContact O-CB 3.32Å; C212-L215 PolarHBondContact O-N 3Å; L215-Y218 PolarHBondContact O-N 3.04Å; L215-G219 PolarHBondContact O-N 3.18Å; L215-I234 HydrophobicContact CD2-CD1 3.66Å; L215-I234 HydrophobicContact CD2-CG1 4Å; L215-I234 HydrophobicContact CD2-CG2 4.11Å
216	D	86	Confident	85	Confident	88 Å²	88	55.4 Å²	55.4	47%	0.471	29%	0.292	S	S	.	.	H	α-helix	trans	-68.5	-44.7	175.1	-63.1	-34.2	0	0	0	109.8	C212 Y218 G219 E220	C212-D216 PolarHBondContact O-N 3.26Å; D216-Y218 VanDerWaalsContact C-N 3.32Å; D216-Y218 PolarHBondContact O-N 2.95Å; D216-G219 CarbonylContact O-C 3.43Å; D216-G219 WeakPolarHBondContact O-CA 3.48Å; D216-G219 PolarHBondContact O-N 3.35Å; D216-E220 PolarHBondContact O-N 3.25Å
217	H	88.6	Confident	85.1	Confident	25 Å²	25	55.3 Å²	55.3	12%	0.116	29%	0.29	C	S	.	.	H	α-helix	trans	-57.2	-39.8	171.3	172	71.7	0	0	0	113.6	C196 F208 E213 L214 G219 E220 S221	C196-H217 WeakPolarHBondContact CB-NE2 3.44Å; C196-H217 PolarHBondContact SG-NE2 3.38Å; F208-H217 HydrophobicContact CE1-CB 3.72Å; F208-H217 AromaticContact CE1-CG 3.96Å; F208-H217 HydrophobicContact CE2-CB 4.26Å; F208-H217 AromaticContact CE2-CD2 3.65Å; F208-H217 AromaticContact CE2-CG 3.96Å; F208-H217 HydrophobicContact CZ-CB 3.48Å; F208-H217 VanDerWaalsContact CZ-CB 3.48Å; F208-H217 AromaticContact CZ-CD2 3.4Å; F208-H217 WeakPolarHBondContact CZ-CD2 3.49Å; F208-H217 AromaticContact CZ-CG 3.24Å; F208-H217 AromaticContact CZ-ND1 3.69Å; F208-H217 AromaticContact CZ-NE2 3.9Å; E213-H217 WeakPolarHBondContact O-CB 3.44Å; E213-H217 PolarHBondContact O-N 3.02Å; L214-H217 PolarHBondContact O-N 2.98Å; H217-G219 PolarHBondContact O-N 3.07Å; H217-E220 PolarHBondContact O-N 3.48Å; H217-S221 PolarHBondContact CE1-OG 3.22Å; H217-S221 PolarHBondContact ND1-OG 3.38Å; H217-S221 PolarHBondContact NE2-OG 3.11Å; H217-S221 WeakPolarHBondContact O-CB 3.33Å; H217-S221 PolarHBondContact O-N 3.14Å; H217-S221 PolarHBondContact O-OG 3.32Å
218	Y	85.9	Confident	85.1	Confident	24 Å²	24	54.6 Å²	54.6	9%	0.094	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-26.5	173.1	-78.8	-46.2	0	0	0	112.9	C196 L198 L214 L215 D216 H222 L224 C236	C196-Y218 HydrophobicContact CB-CE1 4.45Å; C196-Y218 WeakPolarHBondContact SG-CE1 3.2Å; L198-Y218 HydrophobicContact CD1-CD1 4.31Å; L198-Y218 HydrophobicContact CD1-CE1 4.18Å; L198-Y218 HydrophobicContact CG-CE1 4.29Å; L214-Y218 HydrophobicContact CD1-CD2 4.1Å; L214-Y218 HydrophobicContact CD1-CE1 4.39Å; L214-Y218 HydrophobicContact CD1-CE2 3.61Å; L214-Y218 HydrophobicContact CD2-CE2 3.9Å; L214-Y218 HydrophobicContact CG-CD2 3.95Å; L214-Y218 HydrophobicContact CG-CE2 3.52Å; L214-Y218 VanDerWaalsContact O-CD2 3.22Å; L214-Y218 WeakPolarHBondContact O-CD2 3.49Å; L214-Y218 PolarHBondContact O-N 3.27Å; L215-Y218 PolarHBondContact O-N 3.04Å; D216-Y218 VanDerWaalsContact C-N 3.32Å; D216-Y218 PolarHBondContact O-N 2.95Å; Y218-H222 AromaticContact CD1-CD2 3.95Å; Y218-H222 CarbonylContact O-C 3.33Å; Y218-L224 WeakPolarHBondContact O-CG 3.37Å; Y218-C236 HydrophobicContact CD1-CB 4.28Å; Y218-C236 VanDerWaalsContact CD1-SG 3.53Å
219	G	83.7	Confident	85	Confident	43 Å²	43	60.5 Å²	60.5	44%	0.443	31%	0.308	S	S	.	.	H	α-helix	trans	-85.5	-30.1	174.3	0	0	0	0	0	114.9	L215 D216 H217	L215-G219 PolarHBondContact O-N 3.18Å; D216-G219 CarbonylContact O-C 3.43Å; D216-G219 WeakPolarHBondContact O-CA 3.48Å; D216-G219 PolarHBondContact O-N 3.35Å; H217-G219 PolarHBondContact O-N 3.07Å
220	E	84.9	Confident	85	Confident	160 Å²	160	57.7 Å²	57.7	75%	0.748	31%	0.314	S	S	*	.	H	α-helix	trans	-84.3	-32.9	-179.7	-70	-174.4	161.7	0	0	113.8	D216 H217	D216-E220 PolarHBondContact O-N 3.25Å; H217-E220 PolarHBondContact O-N 3.48Å
221	S	83.4	Confident	84.9	Confident	56 Å²	56	57.1 Å²	57.1	39%	0.392	31%	0.311	S	S	.	.	H	α-helix	trans	-121	-6.8	-166.7	71.4	0	0	0	0	115.3	H217	H217-S221 PolarHBondContact CE1-OG 3.22Å; H217-S221 PolarHBondContact ND1-OG 3.38Å; H217-S221 PolarHBondContact NE2-OG 3.11Å; H217-S221 WeakPolarHBondContact O-CB 3.33Å; H217-S221 PolarHBondContact O-N 3.14Å; H217-S221 PolarHBondContact O-OG 3.32Å
222	H	88.3	Confident	84.6	Confident	25 Å²	25	61.8 Å²	61.8	12%	0.116	33%	0.333	C	S	.	.	S	Bend	trans	-140.4	166.9	-176.9	-66.3	-54.1	0	0	0	110.6	C196 L198 C199 Y218 L224 C236	C196-H222 VanDerWaalsContact SG-CD2 3.59Å; C196-H222 PolarHBondContact SG-NE2 2.78Å; L198-H222 WeakPolarHBondContact CB-NE2 3.45Å; L198-H222 HydrophobicContact CD1-CB 3.85Å; C199-H222 PolarHBondContact SG-NE2 3.03Å; C199-H222 VanDerWaalsContact SG-NE2 3.36Å; Y218-H222 AromaticContact CD1-CD2 3.95Å; Y218-H222 CarbonylContact O-C 3.33Å; H222-L224 PolarHBondContact O-N 3.07Å; H222-C236 WeakPolarHBondContact CB-SG 3.47Å
223	H	87.4	Confident	84.5	Confident	66 Å²	66	63.3 Å²	63.3	31%	0.306	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	95.3	-172.9	-59.2	-92.2	0	0	0	110.1	F237 E240 L243	H223-F237 HydrophobicContact CB-CB 4.44Å; H223-F237 PolarHBondContact N-O 3.41Å; H223-F237 PolarHBondContact O-N 3.47Å; H223-E240 PolarHBondContact CD2-N 3.36Å; H223-E240 PolarHBondContact NE2-N 3.15Å; H223-L243 HydrophobicContact CB-CB 4.04Å; H223-L243 HydrophobicContact CB-CD2 3.9Å
224	L	86.6	Confident	84.3	Confident	35 Å²	35	65.5 Å²	65.5	18%	0.183	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	138.8	172.1	-79.7	173.3	0	0	0	111.9	Y218 H222 S226 I234 C236	Y218-L224 WeakPolarHBondContact O-CG 3.37Å; H222-L224 PolarHBondContact O-N 3.07Å; L224-S226 PolarHBondContact O-N 2.99Å; L224-I234 HydrophobicContact CD2-CG2 4.21Å; L224-C236 HydrophobicContact CD2-CB 3.6Å; L224-C236 HydrophobicContact CG-CB 4.45Å
225	C	87	Confident	84.2	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.007	35%	0.348	C	S	.	.			trans	-76.8	117.4	165.3	175	0	0	0	0	110.1	E227 C228 R229 S235 L243	C225-E227 VanDerWaalsContact C-N 3.33Å; C225-E227 PolarHBondContact SG-OE2 2.89Å; C225-C228 HydrophobicContact CB-CB 3.88Å; C225-C228 PolarHBondContact SG-N 3.41Å; C225-R229 WeakPolarHBondContact O-CB 3.48Å; C225-R229 PolarHBondContact O-N 2.92Å; C225-R229 VanDerWaalsContact O-N 3.08Å; C225-S235 PolarHBondContact N-O 2.9Å; C225-L243 HydrophobicContact CB-CD1 3.53Å
226	S	84.4	Confident	84.3	Confident	81 Å²	81	65 Å²	65	57%	0.566	35%	0.345	S	S	*	.	H	α-helix	trans	-68.8	-34.2	179.6	47	0	0	0	0	111.7	L224 R229 A230	L224-S226 PolarHBondContact O-N 2.99Å; S226-R229 PolarHBondContact O-N 3.41Å; S226-A230 PolarHBondContact O-N 3.39Å
227	E	85.5	Confident	84.3	Confident	18 Å²	18	62.9 Å²	62.9	8%	0.084	33%	0.331	C	S	.	.	H	α-helix	trans	-70.9	-44.8	-179.5	-52.5	93.4	154.9	0	0	111.2	C225 R229 A230 Q231 R247 H251 E254	C225-E227 VanDerWaalsContact C-N 3.33Å; C225-E227 PolarHBondContact SG-OE2 2.89Å; E227-R229 VanDerWaalsContact C-N 3.32Å; E227-R229 PolarHBondContact O-N 3.39Å; E227-A230 WeakPolarHBondContact O-CB 3.36Å; E227-A230 PolarHBondContact O-N 2.71Å; E227-Q231 WeakPolarHBondContact O-CG 3.46Å; E227-Q231 PolarHBondContact O-N 2.82Å; E227-Q231 VanDerWaalsContact O-N 3.08Å; E227-R247 IonicContact OE1-CZ 2.93Å; E227-R247 IonicContact OE1-NE 3.45Å; E227-R247 PolarHBondContact OE1-NE 3.31Å; E227-R247 IonicContact OE1-NH2 2.75Å; E227-R247 PolarHBondContact OE1-NH2 3.05Å; E227-R247 IonicContact OE2-NE 2.73Å; E227-H251 WeakPolarHBondContact CB-CE1 3.32Å; E227-H251 WeakPolarHBondContact CB-ND1 3.38Å; E227-E254 HydrophobicContact CG-CB 4.44Å
228	C	84.9	Confident	84.2	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-56.5	-45.2	166.9	-89.1	0	0	0	0	111.7	C225 A230 Q231 Q232 R233 S235 H246 H251	C225-C228 HydrophobicContact CB-CB 3.88Å; C225-C228 PolarHBondContact SG-N 3.41Å; C228-A230 VanDerWaalsContact C-N 3.27Å; C228-A230 PolarHBondContact O-N 2.98Å; C228-Q231 CarbonylContact O-C 3.52Å; C228-Q231 WeakPolarHBondContact O-CA 3.47Å; C228-Q231 WeakPolarHBondContact O-CB 3.49Å; C228-Q231 PolarHBondContact O-N 3.37Å; C228-Q232 PolarHBondContact O-N 3.21Å; C228-R233 CarbonylContact C-O 3.55Å; C228-R233 HydrophobicContact CB-CB 4.01Å; C228-R233 WeakPolarHBondContact O-CA 2.99Å; C228-R233 PolarHBondContact O-N 3.06Å; C228-R233 VanDerWaalsContact SG-CZ 3.5Å; C228-R233 PolarHBondContact SG-NH2 3.03Å; C228-S235 PolarHBondContact SG-OG 3.35Å; C228-H246 PolarHBondContact SG-NE2 2.8Å; C228-H251 PolarHBondContact SG-NE2 3.08Å
229	R	82.1	Confident	84.2	Confident	143 Å²	143	65.2 Å²	65.2	54%	0.54	35%	0.354	S	S	.	.	H	α-helix	trans	-61.5	-36.2	179.9	-171.7	175.9	-179	162.9	3.2	111.8	C225 S226 E227 Q232 R233	C225-R229 WeakPolarHBondContact O-CB 3.48Å; C225-R229 PolarHBondContact O-N 2.92Å; C225-R229 VanDerWaalsContact O-N 3.08Å; S226-R229 PolarHBondContact O-N 3.41Å; E227-R229 VanDerWaalsContact C-N 3.32Å; E227-R229 PolarHBondContact O-N 3.39Å; R229-Q232 PolarHBondContact O-N 3.28Å; R229-R233 WeakPolarHBondContact CA-O 3.48Å; R229-R233 PolarHBondContact N-O 2.85Å
230	A	82.5	Confident	84.3	Confident	81 Å²	81	69.7 Å²	69.7	67%	0.669	36%	0.363	S	S	*	.	H	α-helix	trans	-65.9	-36.1	171.8	0	0	0	0	0	112.4	S226 E227 C228 Q232	S226-A230 PolarHBondContact O-N 3.39Å; E227-A230 WeakPolarHBondContact O-CB 3.36Å; E227-A230 PolarHBondContact O-N 2.71Å; C228-A230 VanDerWaalsContact C-N 3.27Å; C228-A230 PolarHBondContact O-N 2.98Å; A230-Q232 PolarHBondContact O-N 3.08Å
231	Q	81.6	Confident	84.3	Confident	98 Å²	98	68 Å²	68	46%	0.458	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	10.6	172.4	-62.9	171.9	-0.1	0	0	114.2	E227 C228 R233 H251	E227-Q231 WeakPolarHBondContact O-CG 3.46Å; E227-Q231 PolarHBondContact O-N 2.82Å; E227-Q231 VanDerWaalsContact O-N 3.08Å; C228-Q231 CarbonylContact O-C 3.52Å; C228-Q231 WeakPolarHBondContact O-CA 3.47Å; C228-Q231 WeakPolarHBondContact O-CB 3.49Å; C228-Q231 PolarHBondContact O-N 3.37Å; Q231-R233 HydrophobicContact CB-CG 4.26Å; Q231-R233 PolarHBondContact O-N 3.33Å; Q231-R233 VanDerWaalsContact OE1-NH2 3.16Å; Q231-H251 PolarHBondContact NE2-CE1 2.98Å; Q231-H251 VanDerWaalsContact NE2-CE1 3.29Å
232	Q	77.2	Confident	84.5	Confident	176 Å²	176	72.9 Å²	72.9	82%	0.822	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	21.5	-173	-55.3	-64.2	-29.2	0	0	114.5	C228 R229 A230	C228-Q232 PolarHBondContact O-N 3.21Å; R229-Q232 PolarHBondContact O-N 3.28Å; A230-Q232 PolarHBondContact O-N 3.08Å
233	R	79.3	Confident	84.4	Confident	92 Å²	92	72.8 Å²	72.8	35%	0.347	37%	0.369	S	S	.	.			trans	-101.1	140.6	172.9	-55.7	-162.7	-65.2	147.4	-7.1	110.3	C228 R229 Q231 E250	C228-R233 CarbonylContact C-O 3.55Å; C228-R233 HydrophobicContact CB-CB 4.01Å; C228-R233 WeakPolarHBondContact O-CA 2.99Å; C228-R233 PolarHBondContact O-N 3.06Å; C228-R233 VanDerWaalsContact SG-CZ 3.5Å; C228-R233 PolarHBondContact SG-NH2 3.03Å; R229-R233 WeakPolarHBondContact CA-O 3.48Å; R229-R233 PolarHBondContact N-O 2.85Å; Q231-R233 HydrophobicContact CB-CG 4.26Å; Q231-R233 PolarHBondContact O-N 3.33Å; Q231-R233 VanDerWaalsContact OE1-NH2 3.16Å; R233-E250 IonicContact CZ-OE2 3.24Å; R233-E250 IonicContact NH1-OE2 3.89Å; R233-E250 PolarHBondContact NH1-OE2 3.37Å; R233-E250 IonicContact NH2-OE2 3.85Å; R233-E250 PolarHBondContact NH2-OE2 2.98Å
234	I	80.5	Confident	84.1	Confident	106 Å²	106	71.5 Å²	71.5	54%	0.544	37%	0.374	S	S	.	.			trans	-104.9	94.4	175.7	-59.7	150.4	0	0	0	107.9	L215 L224	L215-I234 HydrophobicContact CD2-CD1 3.66Å; L215-I234 HydrophobicContact CD2-CG1 4Å; L215-I234 HydrophobicContact CD2-CG2 4.11Å; L224-I234 HydrophobicContact CD2-CG2 4.21Å
235	S	84.4	Confident	84.1	Confident	22 Å²	22	74.4 Å²	74.4	15%	0.154	39%	0.389	C	S	.	.			trans	-108	112.3	173.2	-66.6	0	0	0	0	108.6	C225 C228 H246	C225-S235 PolarHBondContact N-O 2.9Å; C228-S235 PolarHBondContact SG-OG 3.35Å; S235-H246 WeakPolarHBondContact CB-NE2 3.14Å
236	C	85.4	Confident	84.2	Confident	26 Å²	26	75.1 Å²	75.1	18%	0.176	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138	-173.7	-164.5	0	0	0	0	110.9	L198 Y218 H222 L224	L198-C236 HydrophobicContact CD1-CB 4.11Å; L198-C236 VanDerWaalsContact CD1-SG 3.57Å; Y218-C236 HydrophobicContact CD1-CB 4.28Å; Y218-C236 VanDerWaalsContact CD1-SG 3.53Å; H222-C236 WeakPolarHBondContact CB-SG 3.47Å; L224-C236 HydrophobicContact CD2-CB 3.6Å; L224-C236 HydrophobicContact CG-CB 4.45Å
237	F	87.1	Confident	84.2	Confident	42 Å²	42	74 Å²	74	18%	0.184	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.2	-172.5	-58.3	-82.8	0	0	0	112.5	H223 T239 R242 L243 H246	H223-F237 HydrophobicContact CB-CB 4.44Å; H223-F237 PolarHBondContact N-O 3.41Å; H223-F237 PolarHBondContact O-N 3.47Å; F237-T239 VanDerWaalsContact C-N 3.28Å; F237-T239 PolarHBondContact O-N 2.99Å; F237-R242 HydrophobicContact CB-CB 3.96Å; F237-R242 HydrophobicContact CD1-CB 3.88Å; F237-R242 HydrophobicContact CG-CB 4.16Å; F237-L243 HydrophobicContact CB-CB 4.37Å; F237-L243 HydrophobicContact CD2-CB 3.99Å; F237-L243 HydrophobicContact CD2-CD1 3.97Å; F237-L243 HydrophobicContact CE2-CD1 4.2Å; F237-L243 HydrophobicContact CG-CB 4.4Å; F237-H246 HydrophobicContact CE1-CB 3.96Å; F237-H246 HydrophobicContact CE2-CB 3.73Å; F237-H246 AromaticContact CE2-CD2 3.3Å; F237-H246 WeakPolarHBondContact CE2-CD2 3.44Å; F237-H246 AromaticContact CE2-CG 3.54Å; F237-H246 HydrophobicContact CZ-CB 3.39Å; F237-H246 AromaticContact CZ-CD2 3.53Å; F237-H246 AromaticContact CZ-CG 3.27Å; F237-H246 AromaticContact CZ-ND1 3.8Å
238	A	85.6	Confident	84.1	Confident	41 Å²	41	79.7 Å²	79.7	34%	0.339	40%	0.4	S	S	.	.	S	Bend	trans	-71.1	-19.1	179.1	0	0	0	0	0	114.1	L198	L198-A238 HydrophobicContact CD2-CB 4.35Å
239	T	86.2	Confident	84.1	Confident	57 Å²	57	86.7 Å²	86.7	35%	0.35	43%	0.433	S	S	.	.	S	Bend	trans	-143	152.8	177.9	63.9	0	0	0	0	111.2	F237 D241 R242 L243	F237-T239 VanDerWaalsContact C-N 3.28Å; F237-T239 PolarHBondContact O-N 2.99Å; T239-D241 VanDerWaalsContact C-N 3.32Å; T239-D241 PolarHBondContact O-N 2.91Å; T239-R242 PolarHBondContact O-N 3.22Å; T239-L243 PolarHBondContact O-N 3.03Å
240	E	85.8	Confident	84.1	Confident	137 Å²	137	84.5 Å²	84.5	64%	0.64	43%	0.429	S	S	*	.	H	α-helix	trans	-60.1	-38.8	178	-163.6	164.6	-172.7	0	0	112.5	H223 R242 L243 G244	H223-E240 PolarHBondContact CD2-N 3.36Å; H223-E240 PolarHBondContact NE2-N 3.15Å; E240-R242 PolarHBondContact O-N 3.23Å; E240-L243 CarbonylContact O-C 3.16Å; E240-L243 WeakPolarHBondContact O-CA 3.27Å; E240-L243 WeakPolarHBondContact O-CB 3.42Å; E240-L243 PolarHBondContact O-N 3.5Å; E240-G244 PolarHBondContact O-N 2.97Å
241	D	84.6	Confident	84.2	Confident	124 Å²	124	80.8 Å²	80.8	66%	0.663	40%	0.398	S	S	*	.	H	α-helix	trans	-55	-38.9	176.3	-47.1	-55	0	0	0	112.3	T239 G244 L245	T239-D241 VanDerWaalsContact C-N 3.32Å; T239-D241 PolarHBondContact O-N 2.91Å; D241-G244 PolarHBondContact O-N 2.97Å; D241-L245 WeakPolarHBondContact O-CG 3.29Å; D241-L245 PolarHBondContact O-N 3.02Å
242	R	87.5	Confident	84	Confident	159 Å²	159	79.3 Å²	79.3	60%	0.6	40%	0.396	S	S	*	.	H	α-helix	trans	-74.7	-34.1	179.1	-72.9	-176.7	177	-157.7	1.1	112	F237 T239 E240 H246	F237-R242 HydrophobicContact CB-CB 3.96Å; F237-R242 HydrophobicContact CD1-CB 3.88Å; F237-R242 HydrophobicContact CG-CB 4.16Å; T239-R242 PolarHBondContact O-N 3.22Å; E240-R242 PolarHBondContact O-N 3.23Å; R242-H246 WeakPolarHBondContact O-CB 3.11Å; R242-H246 PolarHBondContact O-N 3.32Å
243	L	86.6	Confident	84	Confident	24 Å²	24	77.1 Å²	77.1	13%	0.126	39%	0.39	C	S	.	.	H	α-helix	trans	-63.9	-43.2	169.3	173.2	60	0	0	0	110.6	H223 C225 F237 T239 E240 H246 R247	H223-L243 HydrophobicContact CB-CB 4.04Å; H223-L243 HydrophobicContact CB-CD2 3.9Å; C225-L243 HydrophobicContact CB-CD1 3.53Å; F237-L243 HydrophobicContact CB-CB 4.37Å; F237-L243 HydrophobicContact CD2-CB 3.99Å; F237-L243 HydrophobicContact CD2-CD1 3.97Å; F237-L243 HydrophobicContact CE2-CD1 4.2Å; F237-L243 HydrophobicContact CG-CB 4.4Å; T239-L243 PolarHBondContact O-N 3.03Å; E240-L243 CarbonylContact O-C 3.16Å; E240-L243 WeakPolarHBondContact O-CA 3.27Å; E240-L243 WeakPolarHBondContact O-CB 3.42Å; E240-L243 PolarHBondContact O-N 3.5Å; L243-H246 PolarHBondContact O-N 2.88Å; L243-R247 HydrophobicContact CD1-CG 3.96Å; L243-R247 HydrophobicContact CG-CG 4.39Å; L243-R247 WeakPolarHBondContact O-CG 3.2Å; L243-R247 PolarHBondContact O-N 2.95Å
244	G	82.3	Confident	83.6	Confident	38 Å²	38	76.9 Å²	76.9	39%	0.392	39%	0.393	S	S	.	.	H	α-helix	trans	-59.2	-48.4	175.4	0	0	0	0	0	112.8	E240 D241 H246 R247 F248	E240-G244 PolarHBondContact O-N 2.97Å; D241-G244 PolarHBondContact O-N 2.97Å; G244-H246 VanDerWaalsContact C-N 3.33Å; G244-H246 PolarHBondContact O-N 2.89Å; G244-R247 PolarHBondContact O-N 3.34Å; G244-F248 WeakPolarHBondContact O-CB 3.41Å; G244-F248 PolarHBondContact O-N 2.94Å
245	L	86.5	Confident	83.2	Confident	96 Å²	96	72.3 Å²	72.3	50%	0.503	37%	0.37	S	S	.	.	H	α-helix	trans	-59.8	-40.6	174.5	-73	168.4	0	0	0	112.6	D241 F248 Q249	D241-L245 WeakPolarHBondContact O-CG 3.29Å; D241-L245 PolarHBondContact O-N 3.02Å; L245-F248 PolarHBondContact O-N 3.46Å; L245-Q249 VanDerWaalsContact O-CG 3.32Å; L245-Q249 WeakPolarHBondContact O-CG 3.38Å; L245-Q249 PolarHBondContact O-N 3.37Å; L245-Q249 VanDerWaalsContact O-N 3.14Å
246	H	87.3	Confident	82.4	Confident	17 Å²	17	74.6 Å²	74.6	8%	0.079	39%	0.391	C	S	.	.	H	α-helix	trans	-66.6	-46.8	176.3	166.9	64.6	0	0	0	112.5	C228 S235 F237 R242 L243 G244 F248 Q249 E250	C228-H246 PolarHBondContact SG-NE2 2.8Å; S235-H246 WeakPolarHBondContact CB-NE2 3.14Å; F237-H246 HydrophobicContact CE1-CB 3.96Å; F237-H246 HydrophobicContact CE2-CB 3.73Å; F237-H246 AromaticContact CE2-CD2 3.3Å; F237-H246 WeakPolarHBondContact CE2-CD2 3.44Å; F237-H246 AromaticContact CE2-CG 3.54Å; F237-H246 HydrophobicContact CZ-CB 3.39Å; F237-H246 AromaticContact CZ-CD2 3.53Å; F237-H246 AromaticContact CZ-CG 3.27Å; F237-H246 AromaticContact CZ-ND1 3.8Å; R242-H246 WeakPolarHBondContact O-CB 3.11Å; R242-H246 PolarHBondContact O-N 3.32Å; L243-H246 PolarHBondContact O-N 2.88Å; G244-H246 VanDerWaalsContact C-N 3.33Å; G244-H246 PolarHBondContact O-N 2.89Å; H246-F248 VanDerWaalsContact C-N 3.28Å; H246-F248 PolarHBondContact O-N 3Å; H246-Q249 PolarHBondContact O-N 3.24Å; H246-Q249 VanDerWaalsContact O-N 3.13Å; H246-E250 IonicContact CE1-OE2 3.11Å; H246-E250 PolarHBondContact O-N 2.83Å
247	R	85.4	Confident	81.4	Confident	56 Å²	56	80 Å²	80	21%	0.211	42%	0.418	C	S	.	.	H	α-helix	trans	-56.9	-44.4	175	-70.2	175.2	81.6	-139.8	0.4	110.1	E227 L243 G244 Q249 H251 V255 D258	E227-R247 IonicContact OE1-CZ 2.93Å; E227-R247 IonicContact OE1-NE 3.45Å; E227-R247 PolarHBondContact OE1-NE 3.31Å; E227-R247 IonicContact OE1-NH2 2.75Å; E227-R247 PolarHBondContact OE1-NH2 3.05Å; E227-R247 IonicContact OE2-NE 2.73Å; L243-R247 HydrophobicContact CD1-CG 3.96Å; L243-R247 HydrophobicContact CG-CG 4.39Å; L243-R247 WeakPolarHBondContact O-CG 3.2Å; L243-R247 PolarHBondContact O-N 2.95Å; G244-R247 PolarHBondContact O-N 3.34Å; R247-Q249 VanDerWaalsContact C-N 3.3Å; R247-Q249 PolarHBondContact O-N 3.02Å; R247-H251 CarbonylContact O-C 3.48Å; R247-H251 WeakPolarHBondContact O-CA 3.34Å; R247-H251 WeakPolarHBondContact O-CB 3.49Å; R247-H251 PolarHBondContact O-N 3.2Å; R247-V255 VanDerWaalsContact C-CG2 3.43Å; R247-V255 HydrophobicContact CB-CG2 3.62Å; R247-V255 VanDerWaalsContact O-CG2 3.31Å; R247-V255 WeakPolarHBondContact O-CG2 3.47Å; R247-D258 IonicContact CZ-OD2 3.91Å; R247-D258 VanDerWaalsContact CZ-OD2 3.29Å; R247-D258 IonicContact NH1-OD2 3.62Å; R247-D258 PolarHBondContact NH1-OD2 3.5Å; R247-D258 IonicContact NH2-OD2 2.67Å; R247-D258 PolarHBondContact NH2-OD2 3.31Å
248	F	84	Confident	80.3	Confident	138 Å²	138	79.5 Å²	79.5	61%	0.605	42%	0.417	S	S	*	.	H	α-helix	trans	-61.7	-33.7	178.1	-173.7	-91.6	0	0	0	113.5	G244 L245 H246 V255	G244-F248 WeakPolarHBondContact O-CB 3.41Å; G244-F248 PolarHBondContact O-N 2.94Å; L245-F248 PolarHBondContact O-N 3.46Å; H246-F248 VanDerWaalsContact C-N 3.28Å; H246-F248 PolarHBondContact O-N 3Å; F248-V255 HydrophobicContact CD2-CG1 4.15Å
249	Q	84.1	Confident	79.2	Confident	148 Å²	148	83 Å²	83	69%	0.692	44%	0.437	S	S	*	.	H	α-helix	trans	-84.4	-43.7	-179.1	-72.4	174.1	-5.9	0	0	113.7	L245 H246 R247	L245-Q249 VanDerWaalsContact O-CG 3.32Å; L245-Q249 WeakPolarHBondContact O-CG 3.38Å; L245-Q249 PolarHBondContact O-N 3.37Å; L245-Q249 VanDerWaalsContact O-N 3.14Å; H246-Q249 PolarHBondContact O-N 3.24Å; H246-Q249 VanDerWaalsContact O-N 3.13Å; R247-Q249 VanDerWaalsContact C-N 3.3Å; R247-Q249 PolarHBondContact O-N 3.02Å
250	E	82.5	Confident	78	Confident	97 Å²	97	86.2 Å²	86.2	45%	0.453	45%	0.451	S	S	.	.	H	α-helix	trans	-103.8	-21.2	-169.8	-69.5	-105.2	126.2	0	0	113.4	R233 H246	R233-E250 IonicContact CZ-OE2 3.24Å; R233-E250 IonicContact NH1-OE2 3.89Å; R233-E250 PolarHBondContact NH1-OE2 3.37Å; R233-E250 IonicContact NH2-OE2 3.85Å; R233-E250 PolarHBondContact NH2-OE2 2.98Å; H246-E250 IonicContact CE1-OE2 3.11Å; H246-E250 PolarHBondContact O-N 2.83Å
251	H	84.7	Confident	76.6	Confident	3 Å²	3	81.5 Å²	81.5	1%	0.014	43%	0.434	C	S	.	.			trans	-124.7	40.4	-175.8	-65	-85.3	0	0	0	113.5	E227 C228 Q231 R247 N253 E254 V255	E227-H251 WeakPolarHBondContact CB-CE1 3.32Å; E227-H251 WeakPolarHBondContact CB-ND1 3.38Å; C228-H251 PolarHBondContact SG-NE2 3.08Å; Q231-H251 PolarHBondContact NE2-CE1 2.98Å; Q231-H251 VanDerWaalsContact NE2-CE1 3.29Å; R247-H251 CarbonylContact O-C 3.48Å; R247-H251 WeakPolarHBondContact O-CA 3.34Å; R247-H251 WeakPolarHBondContact O-CB 3.49Å; R247-H251 PolarHBondContact O-N 3.2Å; H251-N253 PolarHBondContact O-N 2.88Å; H251-N253 VanDerWaalsContact O-N 3.09Å; H251-E254 HydrophobicContact CB-CB 4.45Å; H251-E254 WeakPolarHBondContact CB-OE2 3.44Å; H251-E254 IonicContact CE1-OE2 2.9Å; H251-E254 IonicContact CG-OE2 3.95Å; H251-E254 IonicContact ND1-OE2 2.63Å; H251-E254 PolarHBondContact ND1-OE2 3.36Å; H251-E254 PolarHBondContact O-N 3.29Å; H251-V255 WeakPolarHBondContact O-CB 3.47Å; H251-V255 WeakPolarHBondContact O-CG2 3.25Å; H251-V255 PolarHBondContact O-N 3.41Å
252	P	78.1	Confident	75.1	Confident	66 Å²	66	85.3 Å²	85.3	43%	0.429	44%	0.439	S	S	.	.	H	α-helix	trans	-59.7	-29.6	-171.2	26	-36.1	0	0	0	113.7	A256	P252-A256 VanDerWaalsContact O-CB 3.27Å; P252-A256 WeakPolarHBondContact O-CB 3.45Å; P252-A256 PolarHBondContact O-N 3.17Å
253	N	75.4	Confident	73.6	Confident	131 Å²	131	84.8 Å²	84.8	70%	0.701	45%	0.447	S	S	*	.	H	α-helix	trans	-71.5	-32.6	178.2	-63.3	-26.7	0	0	0	112.9	H251 N257	H251-N253 PolarHBondContact O-N 2.88Å; H251-N253 VanDerWaalsContact O-N 3.09Å; N253-N257 PolarHBondContact O-ND2 2.84Å
254	E	72.2	Confident	71.8	Confident	86 Å²	86	89.1 Å²	89.1	40%	0.402	48%	0.477	S	S	.	.	H	α-helix	trans	-82.8	-40.8	179.3	-68.7	157.8	123.9	0	0	109.3	E227 H251 A256 N257 D258	E227-E254 HydrophobicContact CG-CB 4.44Å; H251-E254 HydrophobicContact CB-CB 4.45Å; H251-E254 WeakPolarHBondContact CB-OE2 3.44Å; H251-E254 IonicContact CE1-OE2 2.9Å; H251-E254 IonicContact CG-OE2 3.95Å; H251-E254 IonicContact ND1-OE2 2.63Å; H251-E254 PolarHBondContact ND1-OE2 3.36Å; H251-E254 PolarHBondContact O-N 3.29Å; E254-A256 PolarHBondContact O-N 2.98Å; E254-N257 PolarHBondContact O-N 2.88Å; E254-N257 VanDerWaalsContact O-N 3.08Å; E254-D258 PolarHBondContact O-N 3.1Å
255	V	71.6	Confident	70.3	Confident	10 Å²	10	94.2 Å²	94.2	6%	0.061	49%	0.493	C	S	.	.	H	α-helix	trans	-57	-41.9	170.8	167.3	0	0	0	0	113	R247 F248 H251 N257 D258 S261	R247-V255 VanDerWaalsContact C-CG2 3.43Å; R247-V255 HydrophobicContact CB-CG2 3.62Å; R247-V255 VanDerWaalsContact O-CG2 3.31Å; R247-V255 WeakPolarHBondContact O-CG2 3.47Å; F248-V255 HydrophobicContact CD2-CG1 4.15Å; H251-V255 WeakPolarHBondContact O-CB 3.47Å; H251-V255 WeakPolarHBondContact O-CG2 3.25Å; H251-V255 PolarHBondContact O-N 3.41Å; V255-N257 PolarHBondContact O-N 2.95Å; V255-N257 VanDerWaalsContact O-N 3.14Å; V255-D258 PolarHBondContact O-N 3.01Å; V255-D258 VanDerWaalsContact O-N 3.09Å; V255-S261 WeakPolarHBondContact CG1-OG 3.28Å; V255-S261 WeakPolarHBondContact O-CB 3.29Å
256	A	66.9	Low	68.5	Low	71 Å²	71	93.9 Å²	93.9	59%	0.587	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.8	176.6	0	0	0	0	0	114	P252 E254	P252-A256 VanDerWaalsContact O-CB 3.27Å; P252-A256 WeakPolarHBondContact O-CB 3.45Å; P252-A256 PolarHBondContact O-N 3.17Å; E254-A256 PolarHBondContact O-N 2.98Å
257	N	64.9	Low	67	Low	139 Å²	139	99 Å²	99	74%	0.743	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-3.7	177.3	-70.3	-79.4	0	0	0	113.1	N253 E254 V255 P259	N253-N257 PolarHBondContact O-ND2 2.84Å; E254-N257 PolarHBondContact O-N 2.88Å; E254-N257 VanDerWaalsContact O-N 3.08Å; V255-N257 PolarHBondContact O-N 2.95Å; V255-N257 VanDerWaalsContact O-N 3.14Å; N257-P259 WeakPolarHBondContact O-CD 3.25Å
258	D	64.9	Low	65.3	Low	32 Å²	32	106.5 Å²	106.5	17%	0.171	55%	0.554	C	S	.	*			trans	-90.9	111.2	-179.9	-171.8	-21.9	0	0	0	110.4	R247 E254 V255 N260 S261	R247-D258 IonicContact CZ-OD2 3.91Å; R247-D258 VanDerWaalsContact CZ-OD2 3.29Å; R247-D258 IonicContact NH1-OD2 3.62Å; R247-D258 PolarHBondContact NH1-OD2 3.5Å; R247-D258 IonicContact NH2-OD2 2.67Å; R247-D258 PolarHBondContact NH2-OD2 3.31Å; E254-D258 PolarHBondContact O-N 3.1Å; V255-D258 PolarHBondContact O-N 3.01Å; V255-D258 VanDerWaalsContact O-N 3.09Å; D258-N260 PolarHBondContact O-N 3.23Å; D258-N260 VanDerWaalsContact O-N 3.11Å; D258-N260 WeakPolarHBondContact OD1-CB 3.47Å; D258-N260 PolarHBondContact OD1-N 3.42Å; D258-S261 VanDerWaalsContact O-CB 3.23Å; D258-S261 WeakPolarHBondContact O-CB 3.37Å; D258-S261 PolarHBondContact O-N 3Å
259	P	61.9	Low	63.4	Low	115 Å²	115	107.4 Å²	107.4	75%	0.747	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-17.4	-178	27.8	-35.3	0	0	0	113.3	N257	N257-P259 WeakPolarHBondContact O-CD 3.25Å
260	N	61	Low	61.7	Low	123 Å²	123	105.7 Å²	105.7	66%	0.658	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-8.2	176.1	-61.1	-44.2	0	0	0	113.1	D258 W262	D258-N260 PolarHBondContact O-N 3.23Å; D258-N260 VanDerWaalsContact O-N 3.11Å; D258-N260 WeakPolarHBondContact OD1-CB 3.47Å; D258-N260 PolarHBondContact OD1-N 3.42Å; N260-W262 PolarHBondContact O-N 3.38Å; N260-W262 VanDerWaalsContact O-N 3.14Å
261	S	56.6	Low	59.7	Low	39 Å²	39	105.2 Å²	105.2	27%	0.273	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61	-23	-179.3	177.4	0	0	0	0	114.1	V255 D258 L263	V255-S261 WeakPolarHBondContact CG1-OG 3.28Å; V255-S261 WeakPolarHBondContact O-CB 3.29Å; D258-S261 VanDerWaalsContact O-CB 3.23Å; D258-S261 WeakPolarHBondContact O-CB 3.37Å; D258-S261 PolarHBondContact O-N 3Å; S261-L263 PolarHBondContact O-N 3.36Å
262	W	53.6	Low	58	Low	204 Å²	204	110.2 Å²	110.2	77%	0.773	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	26	-167.8	-66.7	92.6	0	0	0	114	N260 P264	N260-W262 PolarHBondContact O-N 3.38Å; N260-W262 VanDerWaalsContact O-N 3.14Å; W262-P264 VanDerWaalsContact O-CD 3.28Å; W262-P264 WeakPolarHBondContact O-CD 3.42Å
263	L	55	Low	56.6	Low	148 Å²	148	111.8 Å²	111.8	78%	0.775	61%	0.607	S	S	*	*			trans	-60.9	114.7	166.1	-79.9	169.2	0	0	0	109.2	S261 I265	S261-L263 PolarHBondContact O-N 3.36Å; L263-I265 PolarHBondContact O-N 3.36Å
264	P	49.1	Very low	55.1	Low	115 Å²	115	110.6 Å²	110.6	75%	0.747	60%	0.6	S	S	*	*			trans	-68.9	125.9	-175.2	27.5	-33.5	0	0	0	109.5	W262 S266	W262-P264 VanDerWaalsContact O-CD 3.28Å; W262-P264 WeakPolarHBondContact O-CD 3.42Å; P264-S266 PolarHBondContact O-N 3.25Å
265	I	51.4	Low	53.8	Low	144 Å²	144	109.7 Å²	109.7	74%	0.738	60%	0.604	S	S	*	*			trans	-53.9	113.5	171.2	-63.2	175.1	0	0	0	107.6	L263 I267	L263-I265 PolarHBondContact O-N 3.36Å; I265-I267 HydrophobicContact CG2-CG1 4.16Å; I265-I267 PolarHBondContact O-N 2.73Å
266	S	48.6	Very low	52.5	Low	90 Å²	90	112.1 Å²	112.1	63%	0.629	63%	0.625	S	S	*	*			trans	-71.8	86.1	176.4	-172.1	0	0	0	0	108.1	P264 R268	P264-S266 PolarHBondContact O-N 3.25Å; S266-R268 PolarHBondContact O-N 3.4Å
267	I	54.7	Low	51.4	Low	124 Å²	124	118 Å²	118	64%	0.636	64%	0.638	S	S	*	*			trans	-67.5	81.6	170.3	-54.6	178.4	0	0	0	107.1	I265 H269	I265-I267 HydrophobicContact CG2-CG1 4.16Å; I265-I267 PolarHBondContact O-N 2.73Å; I267-H269 VanDerWaalsContact C-N 3.26Å; I267-H269 PolarHBondContact O-CD2 3.4Å; I267-H269 PolarHBondContact O-N 2.98Å
268	R	50.4	Low	50.3	Low	214 Å²	214	121.8 Å²	121.8	81%	0.808	64%	0.642	S	S	*	*			trans	-69.1	90.7	167.8	-65.7	-172.8	-177.5	-166.5	1.9	107	S266 V270	S266-R268 PolarHBondContact O-N 3.4Å; R268-V270 PolarHBondContact O-N 3.22Å
269	H	45.1	Very low	49.1	Very low	157 Å²	157	131 Å²	131	73%	0.727	67%	0.674	S	S	*	*			trans	-52.2	115.6	164.6	-75.9	-99.8	0	0	0	107.6	I267 T271	I267-H269 VanDerWaalsContact C-N 3.26Å; I267-H269 PolarHBondContact O-CD2 3.4Å; I267-H269 PolarHBondContact O-N 2.98Å; H269-T271 PolarHBondContact O-N 3.44Å
270	V	47.2	Very low	48.1	Very low	112 Å²	112	136.5 Å²	136.5	68%	0.679	68%	0.68	S	S	*	*			trans	-64.3	107.3	177	179.4	0	0	0	0	107	R268 D274	R268-V270 PolarHBondContact O-N 3.22Å; V270-D274 HydrophobicContact CG1-CB 3.96Å
271	T	41.7	Very low	46.9	Very low	87 Å²	87	138.2 Å²	138.2	53%	0.534	69%	0.689	S	S	.	*			trans	-68	143.9	177.5	53.5	0	0	0	0	109.1	H269 T273 D274	H269-T271 PolarHBondContact O-N 3.44Å; T271-T273 PolarHBondContact O-N 3.36Å; T271-T273 PolarHBondContact OG1-OG1 3.28Å; T271-D274 PolarHBondContact O-N 3.03Å
272	S	47.7	Very low	46.1	Very low	107 Å²	107	145.2 Å²	145.2	75%	0.748	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	-10.4	-174	-164.2	0	0	0	0	114.6	S275	S272-S275 WeakPolarHBondContact O-CB 3.43Å; S272-S275 PolarHBondContact O-OG 3.13Å
273	T	48.1	Very low	45.2	Very low	100 Å²	100	142.8 Å²	142.8	61%	0.613	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-37.8	172.5	51.3	0	0	0	0	113.8	T271 S275 A276	T271-T273 PolarHBondContact O-N 3.36Å; T271-T273 PolarHBondContact OG1-OG1 3.28Å; T273-S275 PolarHBondContact O-N 2.8Å; T273-A276 WeakPolarHBondContact O-CB 3.26Å; T273-A276 PolarHBondContact O-N 3.05Å
274	D	45.5	Very low	44.2	Very low	105 Å²	105	145.3 Å²	145.3	56%	0.561	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-69.6	-21.4	178.3	-96	-7	0	0	0	112.2	V270 T271 A276	V270-D274 HydrophobicContact CG1-CB 3.96Å; T271-D274 PolarHBondContact O-N 3.03Å; D274-A276 PolarHBondContact O-N 3.16Å
275	S	44.5	Very low	43.5	Very low	67 Å²	67	145 Å²	145	47%	0.469	72%	0.721	S	S	.	*	G	3₁₀ helix	trans	-64.1	-17.3	176.5	-45.6	0	0	0	0	113.4	S272 T273	S272-S275 WeakPolarHBondContact O-CB 3.43Å; S272-S275 PolarHBondContact O-OG 3.13Å; T273-S275 PolarHBondContact O-N 2.8Å
276	A	43.2	Very low	42.7	Very low	62 Å²	62	145.4 Å²	145.4	51%	0.512	73%	0.725	S	S	.	*	G	3₁₀ helix	trans	-69.2	-36.1	-178.4	0	0	0	0	0	113.4	T273 D274	T273-A276 WeakPolarHBondContact O-CB 3.26Å; T273-A276 PolarHBondContact O-N 3.05Å; D274-A276 PolarHBondContact O-N 3.16Å
277	F	43.8	Very low	42.2	Very low	195 Å²	195	145.8 Å²	145.8	86%	0.855	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-5.9	-173.4	-75.2	-80	0	0	0	114.8
278	R	43	Very low	41.5	Very low	217 Å²	217	150.1 Å²	150.1	82%	0.819	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	21.1	-179.2	-67.3	-171.1	177.1	-102.7	1.1	114.7	R280	R278-R280 PolarHBondContact O-N 2.63Å; R278-R280 VanDerWaalsContact O-N 3.14Å
279	R	39.9	Very low	40.8	Very low	227 Å²	227	144.4 Å²	144.4	86%	0.857	73%	0.726	S	S	*	*			trans	-80.8	24.2	-178.7	-67.6	-163	179.3	-157.3	3.5	115.8
280	R	40	Very low	40.4	Very low	229 Å²	229	143.6 Å²	143.6	86%	0.864	73%	0.732	S	S	*	*	S	Bend	trans	-150.1	71.1	171.3	-176.3	163.7	-80.2	165.8	-5.4	111.3	R278	R278-R280 PolarHBondContact O-N 2.63Å; R278-R280 VanDerWaalsContact O-N 3.14Å
281	D	35.9	Very low	39.6	Very low	159 Å²	159	145.2 Å²	145.2	85%	0.85	74%	0.736	S	S	*	*			trans	-164.6	118.5	135.6	-93.4	-28	0	0	0	108.1
282	Q	39.3	Very low	39.3	Very low	186 Å²	186	144.8 Å²	144.8	87%	0.869	75%	0.749	S	S	*	*			trans	-117.5	124.6	177.8	-70.1	-179.8	-6.9	0	0	108.7
283	I	35.7	Very low	38.7	Very low	154 Å²	154	146.2 Å²	146.2	79%	0.79	75%	0.753	S	S	*	*			trans	171.1	97.2	140	-86.2	149.7	0	0	0	106.6
284	F	34	Very low	38.4	Very low	200 Å²	200	147.3 Å²	147.3	88%	0.877	76%	0.76	S	S	*	*			trans	170.3	100.9	143.8	-96.4	-62.2	0	0	0	108.2
285	P	33.6	Very low	37.9	Very low	108 Å²	108	149.8 Å²	149.8	70%	0.701	77%	0.773	S	S	*	*			trans	-94.4	166.5	-177.5	36.8	-34.7	0	0	0	113.7
286	D	35.4	Very low	37.6	Very low	153 Å²	153	151.1 Å²	151.1	82%	0.818	79%	0.788	S	S	*	*			trans	68.7	140.7	152.8	-83.3	1.7	0	0	0	119.1
287	V	38.3	Very low	37.8	Very low	99 Å²	99	153.3 Å²	153.3	60%	0.6	80%	0.799	S	S	*	*			cis	-143.3	150.1	-0.7	-145.6	0	0	0	0	105.1
288	Y	39.1	Very low	38	Very low	215 Å²	215	150.7 Å²	150.7	84%	0.843	79%	0.794	S	S	*	*			cis	-150.2	157.5	37.1	-81	-95.5	0	0	0	112.8
289	S	35.1	Very low	38	Very low	94 Å²	94	144.7 Å²	144.7	66%	0.657	80%	0.8	S	S	*	*			trans	-129.6	153.1	162.4	-173.4	0	0	0	0	109.9
290	V	36.4	Very low	38	Very low	140 Å²	140	143 Å²	143	85%	0.848	79%	0.794	S	S	*	*			trans	-139.9	130	163.1	-179	0	0	0	0	106.9
291	D	31.6	Very low	38	Very low	145 Å²	145	139.9 Å²	139.9	78%	0.775	79%	0.793	S	S	*	*			trans	-87.4	156	-155.9	-53.8	-71.9	0	0	0	116
292	G	35.6	Very low	38.1	Very low	78 Å²	78	137.5 Å²	137.5	80%	0.804	79%	0.785	S	S	*	*			trans	-170	119.1	168.8	0	0	0	0	0	110.9
293	V	35.6	Very low	38.1	Very low	137 Å²	137	132.9 Å²	132.9	83%	0.83	77%	0.773	S	S	*	*			trans	-124.6	134.3	-172	178.2	0	0	0	0	110.6
294	V	40.2	Very low	38.4	Very low	124 Å²	124	134.6 Å²	134.6	75%	0.752	78%	0.778	S	S	*	*			trans	-139.5	145.9	164.6	-169	0	0	0	0	109.1
295	D	36.3	Very low	38.9	Very low	156 Å²	156	132.2 Å²	132.2	83%	0.834	77%	0.774	S	S	*	*			trans	-84.3	166.2	-165.2	-153.6	-6.2	0	0	0	114.6
296	A	37.3	Very low	39.4	Very low	96 Å²	96	131.8 Å²	131.8	79%	0.793	77%	0.766	S	S	*	*	S	Bend	trans	-109.2	98.2	-166.8	0	0	0	0	0	114.2
297	S	47.2	Very low	39.4	Very low	107 Å²	107	130.3 Å²	130.3	75%	0.748	77%	0.765	S	S	*	*	S	Bend	trans	-138.9	-49.1	162.9	68.1	0	0	0	0	114.1
298	D	48.4	Very low	39.6	Very low	140 Å²	140	129.8 Å²	129.8	75%	0.749	77%	0.765	S	S	*	*	S	Bend	trans	-123.2	12	-165.9	-73.9	-75.5	0	0	0	115.7	R300	D298-R300 PolarHBondContact O-N 3.27Å
299	G	43.2	Very low	39.7	Very low	91 Å²	91	123.8 Å²	123.8	94%	0.938	75%	0.751	S	S	*	*			trans	61.4	17.4	169.4	0	0	0	0	0	116.4
300	R	39.8	Very low	39.8	Very low	192 Å²	192	126 Å²	126	73%	0.725	76%	0.76	S	S	*	*			trans	-113.9	102.4	-167.9	-171.9	179.4	-174.1	172.8	0.8	111.7	D298 T302	D298-R300 PolarHBondContact O-N 3.27Å; R300-T302 HydrophobicContact CG-CG2 4.28Å; R300-T302 PolarHBondContact O-N 3Å
301	L	39.3	Very low	39.8	Very low	163 Å²	163	129.3 Å²	129.3	85%	0.853	76%	0.759	S	S	*	*			trans	-71.7	106.9	169.5	-72.3	173.1	0	0	0	110.2
302	T	38.1	Very low	40.2	Very low	109 Å²	109	133.3 Å²	133.3	67%	0.669	76%	0.763	S	S	*	*			trans	-94.7	119.5	170.9	49.9	0	0	0	0	110.4	R300	R300-T302 HydrophobicContact CG-CG2 4.28Å; R300-T302 PolarHBondContact O-N 3Å
303	S	40.9	Very low	40.4	Very low	89 Å²	89	140.9 Å²	140.9	62%	0.622	77%	0.768	S	S	*	*			trans	-63.1	148	157.1	178.2	0	0	0	0	109.4	D305	S303-D305 PolarHBondContact O-N 3.27Å
304	Q	41.1	Very low	40.8	Very low	191 Å²	191	138.8 Å²	138.8	89%	0.893	76%	0.757	S	S	*	*	S	Bend	trans	-73.7	-14.5	-174.5	-147.5	164.3	12.2	0	0	113.1
305	D	43.7	Very low	41.1	Very low	149 Å²	149	137.4 Å²	137.4	80%	0.797	75%	0.745	S	S	*	*	S	Bend	trans	-114.1	-15	-165	-63.2	-62.5	0	0	0	117	S303	S303-D305 PolarHBondContact O-N 3.27Å
306	N	44.2	Very low	42	Very low	99 Å²	99	134.2 Å²	134.2	53%	0.529	73%	0.733	S	S	.	*			trans	-157.9	113.8	175.8	-160.6	-22.9	0	0	0	115.1	S308	N306-S308 WeakPolarHBondContact OD1-CB 3.45Å; N306-S308 PolarHBondContact OD1-N 2.9Å; N306-S308 PolarHBondContact OD1-OG 2.63Å
307	P	36	Very low	42.8	Very low	123 Å²	123	134.4 Å²	134.4	80%	0.799	73%	0.728	S	S	*	*			trans	-94.2	12.6	-177.9	37.4	-36.6	0	0	0	115.4
308	S	42.4	Very low	43.2	Very low	88 Å²	88	134.8 Å²	134.8	62%	0.615	72%	0.719	S	S	*	*			trans	-100.8	-3.2	-161.7	64.8	0	0	0	0	118.4	N306	N306-S308 WeakPolarHBondContact OD1-CB 3.45Å; N306-S308 PolarHBondContact OD1-N 2.9Å; N306-S308 PolarHBondContact OD1-OG 2.63Å
309	V	41	Very low	43.5	Very low	89 Å²	89	135.6 Å²	135.6	54%	0.539	71%	0.711	S	S	.	*			trans	-116.5	128.3	-169.6	-167.4	0	0	0	0	113.4	Y311	V309-Y311 HydrophobicContact CB-CE2 4.2Å; V309-Y311 HydrophobicContact CG1-CD2 3.91Å; V309-Y311 HydrophobicContact CG1-CE1 4.32Å; V309-Y311 HydrophobicContact CG1-CE2 3.39Å
310	T	37.2	Very low	44.6	Very low	139 Å²	139	134.9 Å²	134.9	85%	0.853	69%	0.689	S	S	*	*			trans	-115.6	111.5	176.2	40.1	0	0	0	0	111.5
311	Y	36.2	Very low	45.5	Very low	210 Å²	210	128.3 Å²	128.3	82%	0.824	68%	0.681	S	S	*	*			trans	-92.7	115.1	-178.6	-74.7	-77.9	0	0	0	113.1	V309	V309-Y311 HydrophobicContact CB-CE2 4.2Å; V309-Y311 HydrophobicContact CG1-CD2 3.91Å; V309-Y311 HydrophobicContact CG1-CE1 4.32Å; V309-Y311 HydrophobicContact CG1-CE2 3.39Å
312	R	40	Very low	46.6	Very low	229 Å²	229	128.2 Å²	128.2	86%	0.864	68%	0.676	S	S	*	*			trans	-79.1	136.7	157	174.2	-173.1	-79.5	-169.2	-4.6	108	P314	R312-P314 WeakPolarHBondContact O-CD 3.32Å
313	R	41	Very low	47.8	Very low	238 Å²	238	127.4 Å²	127.4	90%	0.898	67%	0.667	S	S	*	*			trans	-73.4	125	172.2	-70	-169.5	-180	-146.5	1.1	110.7
314	P	44.5	Very low	48.5	Very low	92 Å²	92	127.9 Å²	127.9	60%	0.597	66%	0.659	S	S	*	*			trans	-79.1	175.5	170.5	-11	29.3	0	0	0	112.6	R312 E318	R312-P314 WeakPolarHBondContact O-CD 3.32Å; P314-E318 WeakPolarHBondContact CB-OE2 3.22Å
315	N	45.9	Very low	49.1	Very low	95 Å²	95	123.2 Å²	123.2	51%	0.508	65%	0.645	S	S	.	*			trans	-86.9	142.6	-178	-164.2	28	0	0	0	111	S317 E318	N315-S317 PolarHBondContact ND2-OG 3.07Å; N315-S317 PolarHBondContact O-N 2.94Å; N315-E318 HydrophobicContact CB-CG 4.3Å; N315-E318 PolarHBondContact N-OE2 3.41Å; N315-E318 WeakPolarHBondContact O-CB 3.5Å; N315-E318 PolarHBondContact O-N 3.05Å
316	P	54.7	Low	49.8	Very low	90 Å²	90	122 Å²	122	58%	0.584	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-60.8	-12.5	-179.4	-27.5	37.1	0	0	0	116.1	E318	P316-E318 PolarHBondContact O-N 3.29Å
317	S	54.8	Low	50.2	Low	99 Å²	99	124.2 Å²	124.2	69%	0.692	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-74	-7.9	170.5	61.5	0	0	0	0	114.4	N315	N315-S317 PolarHBondContact ND2-OG 3.07Å; N315-S317 PolarHBondContact O-N 2.94Å
318	E	53.9	Low	50.4	Low	116 Å²	116	124.6 Å²	124.6	54%	0.542	65%	0.65	S	S	.	*	G	3₁₀ helix	trans	-104.1	-0.8	-174.5	-59.8	171.2	145	0	0	112.3	P314 N315 P316	P314-E318 WeakPolarHBondContact CB-OE2 3.22Å; N315-E318 HydrophobicContact CB-CG 4.3Å; N315-E318 PolarHBondContact N-OE2 3.41Å; N315-E318 WeakPolarHBondContact O-CB 3.5Å; N315-E318 PolarHBondContact O-N 3.05Å; P316-E318 PolarHBondContact O-N 3.29Å
319	W	55.9	Low	50.4	Low	156 Å²	156	125.5 Å²	125.5	59%	0.591	66%	0.657	S	S	*	*			trans	-72.3	128.6	-179.2	-66.6	-2.3	0	0	0	112	F324	W319-F324 HydrophobicContact CD2-CE2 4.49Å; W319-F324 HydrophobicContact CE3-CE2 4.1Å; W319-F324 AromaticContact CE3-CZ 3.99Å; W319-F324 HydrophobicContact CE3-CZ 3.99Å; W319-F324 HydrophobicContact CZ3-CZ 4.14Å
320	T	65.1	Low	50.4	Low	76 Å²	76	128 Å²	128	47%	0.466	67%	0.672	S	S	.	*			trans	-113.7	172.9	178.1	68	0	0	0	0	111.1	E322 D323	T320-E322 PolarHBondContact O-N 3.18Å; T320-E322 VanDerWaalsContact O-N 3.13Å; T320-E322 PolarHBondContact OG1-N 2.6Å; T320-D323 PolarHBondContact N-OD2 3.17Å; T320-D323 PolarHBondContact O-N 2.93Å; T320-D323 PolarHBondContact OG1-OD2 2.99Å
321	G	58.6	Low	50.5	Low	54 Å²	54	132.8 Å²	132.8	56%	0.557	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-7.9	173.3	0	0	0	0	0	114.6	Q328	G321-Q328 PolarHBondContact O-NE2 3.32Å
322	E	63.2	Low	50.6	Low	162 Å²	162	127.9 Å²	127.9	76%	0.757	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-23.3	177.9	-54.5	-171.2	174.6	0	0	112	T320 F324 P325	T320-E322 PolarHBondContact O-N 3.18Å; T320-E322 VanDerWaalsContact O-N 3.13Å; T320-E322 PolarHBondContact OG1-N 2.6Å; E322-F324 PolarHBondContact O-N 3.4Å; E322-P325 WeakPolarHBondContact O-CD 3.45Å; E322-P325 WeakPolarHBondContact O-CG 3.5Å
323	D	62.6	Low	50.3	Low	91 Å²	91	122.6 Å²	122.6	49%	0.487	66%	0.661	S	S	.	*	S	Bend	trans	-71.8	-9.1	177.8	-63.2	-79.5	0	0	0	113.6	T320 P325	T320-D323 PolarHBondContact N-OD2 3.17Å; T320-D323 PolarHBondContact O-N 2.93Å; T320-D323 PolarHBondContact OG1-OD2 2.99Å; D323-P325 VanDerWaalsContact C-CD 3.48Å
324	F	56.9	Low	50.1	Low	100 Å²	100	118.4 Å²	118.4	44%	0.439	66%	0.662	S	S	.	*			trans	-125.6	62.9	177.7	-62	-88	0	0	0	113.3	W319 E322 S326 L327	W319-F324 HydrophobicContact CD2-CE2 4.49Å; W319-F324 HydrophobicContact CE3-CE2 4.1Å; W319-F324 AromaticContact CE3-CZ 3.99Å; W319-F324 HydrophobicContact CE3-CZ 3.99Å; W319-F324 HydrophobicContact CZ3-CZ 4.14Å; E322-F324 PolarHBondContact O-N 3.4Å; F324-S326 PolarHBondContact O-N 3.32Å; F324-S326 VanDerWaalsContact O-N 3.08Å; F324-L327 HydrophobicContact CB-CD1 4.03Å; F324-L327 HydrophobicContact CB-CG 4.32Å; F324-L327 PolarHBondContact O-N 2.95Å; F324-L327 VanDerWaalsContact O-N 3.12Å
325	P	54	Low	49.6	Very low	92 Å²	92	120.1 Å²	120.1	60%	0.597	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-55.9	-31.9	-177.7	-24.9	34.9	0	0	0	113.8	E322 D323 L327 Q328	E322-P325 WeakPolarHBondContact O-CD 3.45Å; E322-P325 WeakPolarHBondContact O-CG 3.5Å; D323-P325 VanDerWaalsContact C-CD 3.48Å; P325-L327 PolarHBondContact O-N 3.42Å; P325-Q328 PolarHBondContact O-N 3.42Å; P325-Q328 VanDerWaalsContact O-N 3.11Å
326	S	56.8	Low	49.1	Very low	124 Å²	124	121.4 Å²	121.4	87%	0.867	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-63.8	-9.1	-179.3	-49.2	0	0	0	0	115.1	F324	F324-S326 PolarHBondContact O-N 3.32Å; F324-S326 VanDerWaalsContact O-N 3.08Å
327	L	52.8	Low	48.3	Very low	146 Å²	146	121.5 Å²	121.5	76%	0.764	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-96.6	-7.6	176.2	-62.2	179.9	0	0	0	113.5	F324 P325 S329	F324-L327 HydrophobicContact CB-CD1 4.03Å; F324-L327 HydrophobicContact CB-CG 4.32Å; F324-L327 PolarHBondContact O-N 2.95Å; F324-L327 VanDerWaalsContact O-N 3.12Å; P325-L327 PolarHBondContact O-N 3.42Å; L327-S329 PolarHBondContact O-N 2.94Å
328	Q	40.7	Very low	47.5	Very low	131 Å²	131	124.5 Å²	124.5	61%	0.612	69%	0.693	S	S	*	*			trans	-100.3	82.7	-175.4	-59.7	-166.2	24.3	0	0	112.4	G321 P325	G321-Q328 PolarHBondContact O-NE2 3.32Å; P325-Q328 PolarHBondContact O-N 3.42Å; P325-Q328 VanDerWaalsContact O-N 3.11Å
329	S	42.1	Very low	46.7	Very low	107 Å²	107	122.9 Å²	122.9	75%	0.748	70%	0.695	S	S	*	*			trans	-158.1	134.3	165.8	-89.5	0	0	0	0	114.5	L327	L327-S329 PolarHBondContact O-N 2.94Å
330	T	41.1	Very low	45.6	Very low	141 Å²	141	121.5 Å²	121.5	87%	0.865	70%	0.704	S	S	*	*	S	Bend	trans	65.7	132.9	-176	71.6	0	0	0	0	115
331	R	40.1	Very low	44.1	Very low	239 Å²	239	123.4 Å²	123.4	90%	0.902	72%	0.715	S	S	*	*			cis	-144.9	169.6	-2.6	-118.7	-169	165.8	-159.7	-3.8	109.7
332	P	36.9	Very low	42.9	Very low	107 Å²	107	126.8 Å²	126.8	70%	0.695	72%	0.721	S	S	*	*			trans	-98.2	149.1	-150.5	37	-39.1	0	0	0	118.3
333	V	35.3	Very low	41.5	Very low	119 Å²	119	126.5 Å²	126.5	72%	0.721	72%	0.72	S	S	*	*			trans	48.6	116.4	133	-174.5	0	0	0	0	120.1	T335	V333-T335 HydrophobicContact CG1-CG2 4.08Å
334	T	36.7	Very low	40.2	Very low	149 Å²	149	127 Å²	127	91%	0.914	73%	0.73	S	S	*	*			trans	-135	130.2	130.2	39.5	0	0	0	0	109.7
335	T	33.2	Very low	39.3	Very low	128 Å²	128	128 Å²	128	79%	0.785	75%	0.749	S	S	*	*			trans	-100.1	139.9	-174.2	47.5	0	0	0	0	113.8	V333	V333-T335 HydrophobicContact CG1-CG2 4.08Å
336	S	36.5	Very low	38.4	Very low	122 Å²	122	129.5 Å²	129.5	85%	0.853	76%	0.762	S	S	*	*			trans	-158.2	125.1	147.2	54.5	0	0	0	0	110.8
337	S	36.1	Very low	37.4	Very low	93 Å²	93	129.4 Å²	129.4	65%	0.65	76%	0.758	S	S	*	*			trans	-80.9	161.8	177.5	43	0	0	0	0	112.7
338	H	39.2	Very low	36.7	Very low	161 Å²	161	131.7 Å²	131.7	75%	0.745	77%	0.765	S	S	*	*				179.9	134.1	106.3	-100.9	-70.4	0	0	0	115.3
339	S	36	Very low	36.5	Very low	83 Å²	83	130 Å²	130	58%	0.58	77%	0.774	S	S	*	*			trans	34.4	119.4	144.9	17.4	0	0	0	0	120.1
340	T	33.5	Very low	36.1	Very low	126 Å²	126	130.8 Å²	130.8	77%	0.773	78%	0.776	S	S	*	*				59.3	143.1	87.5	70.5	0	0	0	0	114.7
341	T	34.3	Very low	36	Very low	116 Å²	116	132.4 Å²	132.4	71%	0.712	78%	0.778	S	S	*	*			cis	-161.9	148.1	31	-21	0	0	0	0	112.1
342	N	33.4	Very low	35.8	Very low	125 Å²	125	128.5 Å²	128.5	67%	0.668	77%	0.77	S	S	*	*			trans	46.2	135.3	140.6	-76.9	29.6	0	0	0	125.9
343	E	33.9	Very low	35.5	Very low	157 Å²	157	133.8 Å²	133.8	73%	0.734	78%	0.776	S	S	*	*				106.8	105.8	126.3	-82.9	165.2	-127.2	0	0	122.8
344	S	35.4	Very low	35.5	Very low	102 Å²	102	136.4 Å²	136.4	71%	0.713	79%	0.785	S	S	*	*				66	113.7	122	-56.8	0	0	0	0	121.9
345	S	37.5	Very low	35.2	Very low	119 Å²	119	137.1 Å²	137.1	83%	0.832	78%	0.775	S	S	*	*				174.8	123.8	97	-74.4	0	0	0	0	115.3
346	S	34	Very low	35.1	Very low	124 Å²	124	137.9 Å²	137.9	87%	0.867	77%	0.77	S	S	*	*			trans	36.2	148.6	152.8	-81.4	0	0	0	0	125.3
347	P	36.7	Very low	35	Very low	122 Å²	122	138.1 Å²	138.1	79%	0.792	77%	0.771	S	S	*	*			trans	-107.2	170.7	-179.8	42.1	-36	0	0	0	115.3
348	Q	38.8	Very low	34.7	Very low	195 Å²	195	138.3 Å²	138.3	91%	0.911	78%	0.779	S	S	*	*			trans	-153	127.3	161.4	-115.7	176.9	16.7	0	0	115.5
349	A	35.7	Very low	34.3	Very low	96 Å²	96	135.5 Å²	135.5	79%	0.793	78%	0.784	S	S	*	*			trans	46.8	138.3	149.9	0	0	0	0	0	123.9
350	P	34.1	Very low	34	Very low	123 Å²	123	136.2 Å²	136.2	80%	0.799	79%	0.789	S	S	*	*			trans	-100.9	164.6	171	39.7	-34.6	0	0	0	114.5
351	I	38.5	Very low	34	Very low	175 Å²	175	137 Å²	137	90%	0.897	79%	0.788	S	S	*	*			trans	-131.6	158.5	172.2	-67.5	-176.3	0	0	0	111.1
352	Q	36.3	Very low	33.9	Very low	156 Å²	156	136.7 Å²	136.7	73%	0.729	79%	0.786	S	S	*	*			trans	-102.6	166.6	-161	-55.2	176.4	-25.7	0	0	115.9
353	R	30.6	Very low	33.6	Very low	219 Å²	219	139.1 Å²	139.1	83%	0.826	79%	0.793	S	S	*	*			trans	60.4	128	141.8	-82	171.2	166.4	-177.8	-4.9	120.1
354	L	34.2	Very low	33.5	Very low	173 Å²	173	143.7 Å²	143.7	91%	0.906	80%	0.803	S	S	*	*				-162.2	172.9	98.5	-104.6	164	0	0	0	111.9
355	K	31	Very low	33.1	Very low	165 Å²	165	146.6 Å²	146.6	72%	0.717	81%	0.806	S	S	*	*			trans	-158.9	169	-165.6	-171.5	-157.2	159.8	-152	0	109
356	E	31.6	Very low	33	Very low	144 Å²	144	148 Å²	148	67%	0.673	81%	0.808	S	S	*	*			trans	83.2	121.7	158	-49.6	179.6	163.5	0	0	119
357	S	35.4	Very low	32.7	Very low	126 Å²	126	148.3 Å²	148.3	88%	0.881	80%	0.801	S	S	*	*				173.7	165	111.5	-75	0	0	0	0	112.1
358	A	29.7	Very low	32.6	Very low	98 Å²	98	149.8 Å²	149.8	81%	0.81	80%	0.802	S	S	*	*			trans	-153.1	169.5	-174.7	0	0	0	0	0	113.9
359	A	29.9	Very low	32.5	Very low	102 Å²	102	146.1 Å²	146.1	84%	0.843	79%	0.793	S	S	*	*			trans	69.7	166.3	173.2	0	0	0	0	0	115.5
360	S	29.3	Very low	32.1	Very low	98 Å²	98	148.7 Å²	148.7	69%	0.685	79%	0.793	S	S	*	*			cis	-156.7	-160.2	8.1	58.8	0	0	0	0	111.6
361	L	34.9	Very low	32	Very low	143 Å²	143	151 Å²	151	75%	0.749	80%	0.799	S	S	*	*			trans	86.3	111.5	169.3	-51.1	-172.9	0	0	0	116.4
362	T	30.6	Very low	31.5	Very low	109 Å²	109	147.7 Å²	147.7	67%	0.669	79%	0.791	S	S	*	*				75.9	145.7	65.8	65.7	0	0	0	0	113.7
363	E	28.5	Very low	31.4	Very low	175 Å²	175	147.1 Å²	147.1	82%	0.818	80%	0.798	S	S	*	*			cis	-168.9	149.1	-5.8	-115.4	165.4	-168.8	0	0	109.8
364	R	31.6	Very low	31.4	Very low	253 Å²	253	144.5 Å²	144.5	96%	0.955	80%	0.795	S	S	*	*			trans	175.8	146.1	136.6	-108.6	-179.6	156.5	118.1	-1.6	115.1
365	E	26.6	Very low	31.3	Very low	164 Å²	164	142.1 Å²	142.1	77%	0.766	78%	0.783	S	S	*	*			trans	-98.8	158.3	171.3	-56.5	167.5	95.6	0	0	112.5
366	V	34.8	Very low	31.4	Very low	147 Å²	147	143 Å²	143	89%	0.891	79%	0.787	S	S	*	*			trans	-143.3	128.3	142	-179.1	0	0	0	0	108.1
367	N	28	Very low	31.2	Very low	132 Å²	132	147.5 Å²	147.5	71%	0.706	80%	0.798	S	S	*	*			trans	-91.9	149.3	166.8	-82.4	-61.9	0	0	0	109.7
368	D	35.3	Very low	31.2	Very low	152 Å²	152	147.4 Å²	147.4	81%	0.813	80%	0.795	S	S	*	*			trans	-155.8	160.5	135.3	-127.6	-41.3	0	0	0	115.9
369	T	35.7	Very low	31.2	Very low	118 Å²	118	150.4 Å²	150.4	72%	0.724	80%	0.795	S	S	*	*			trans	-63.7	146.5	-156.2	39.1	0	0	0	0	121.2
370	N	28.5	Very low	31.4	Very low	150 Å²	150	152.3 Å²	152.3	80%	0.802	80%	0.797	S	S	*	*			trans	-13.7	142.3	154.2	-66.4	-43.3	0	0	0	119.5
371	N	31.8	Very low	31.4	Very low	173 Å²	173	151.6 Å²	151.6	93%	0.925	81%	0.805	S	S	*	*				-152.4	154.9	128.9	-118.7	-52.2	0	0	0	113.3
372	S	27.7	Very low	31.2	Very low	104 Å²	104	148.9 Å²	148.9	73%	0.727	81%	0.812	S	S	*	*			trans	-123.1	129.9	-168.8	-179.8	0	0	0	0	112.9
373	V	33.3	Very low	31.2	Very low	144 Å²	144	148.2 Å²	148.2	87%	0.873	81%	0.812	S	S	*	*			trans	-138.9	127.4	170.5	-178	0	0	0	0	110.3
374	Q	31.4	Very low	31.3	Very low	165 Å²	165	151.7 Å²	151.7	77%	0.771	82%	0.817	S	S	*	*			trans	-86.9	152	174.7	-57.7	170.7	-22.7	0	0	111.1
375	N	31.7	Very low	31.3	Very low	122 Å²	122	145.3 Å²	145.3	65%	0.652	81%	0.806	S	S	*	*				-177.6	124.2	124.4	-98.9	-65	0	0	0	114.7
376	K	33.9	Very low	31.4	Very low	185 Å²	185	142.5 Å²	142.5	80%	0.804	81%	0.805	S	S	*	*			trans	49	113.4	134.7	-61.8	172.7	-174.5	127.9	0	120.9
377	R	27.8	Very low	31.3	Very low	237 Å²	237	142.1 Å²	142.1	89%	0.894	79%	0.787	S	S	*	*			trans	-82.6	147.9	155.5	-62.6	177.9	177.9	174.1	-1.5	111.6
378	P	34.1	Very low	31.6	Very low	125 Å²	125	142 Å²	142	81%	0.812	79%	0.791	S	S	*	*			trans	-81.6	159.8	155.2	33.6	-30.6	0	0	0	111.4
379	I	31.1	Very low	31.3	Very low	160 Å²	160	138.7 Å²	138.7	82%	0.821	79%	0.785	S	S	*	*			trans	-125.8	120.4	178.8	-62.8	170.1	0	0	0	109
380	T	33.3	Very low	31	Very low	142 Å²	142	139.8 Å²	139.8	87%	0.871	79%	0.786	S	S	*	*			trans	-170.5	132.7	156.5	14	0	0	0	0	113.1
381	G	28.5	Very low	31.3	Very low	83 Å²	83	138.5 Å²	138.5	86%	0.856	78%	0.778	S	S	*	*			trans	78.1	134.1	148.5	0	0	0	0	0	119.5
382	G	31.4	Very low	31.3	Very low	87 Å²	87	137.1 Å²	137.1	90%	0.897	77%	0.77	S	S	*	*			trans	89	70.9	160.3	0	0	0	0	0	116.8
383	S	30.1	Very low	31.6	Very low	95 Å²	95	139.2 Å²	139.2	66%	0.664	77%	0.767	S	S	*	*			trans	-103.6	121.8	168.2	179.1	0	0	0	0	110.4
384	W	30.1	Very low	31.6	Very low	248 Å²	248	137.3 Å²	137.3	94%	0.939	76%	0.756	S	S	*	*			trans	-156.1	7.6	157.3	-100.5	10.3	0	0	0	114.9
385	V	33.4	Very low	31.7	Very low	119 Å²	119	138 Å²	138	72%	0.721	76%	0.764	S	S	*	*			trans	-131.6	86.2	175	-172	0	0	0	0	111.1
386	S	28.5	Very low	32	Very low	105 Å²	105	141 Å²	141	73%	0.734	77%	0.772	S	S	*	*			trans	-145.3	63.1	-178.6	-68.7	0	0	0	0	113.4
387	R	31.1	Very low	32.2	Very low	139 Å²	139	137.7 Å²	137.7	53%	0.525	76%	0.763	S	S	.	*			trans	-138.7	159.6	157.8	-67.2	-170	-175.2	-135.1	-10.7	108.7	E177	E177-R387 VanDerWaalsContact CD-NH1 3.27Å; E177-R387 IonicContact OE1-CZ 3.48Å; E177-R387 IonicContact OE1-NE 3.21Å; E177-R387 IonicContact OE1-NH1 2.75Å; E177-R387 PolarHBondContact OE1-NH1 3.49Å; E177-R387 VanDerWaalsContact OE1-NH1 3.11Å; E177-R387 IonicContact OE1-NH2 2.7Å; E177-R387 PolarHBondContact OE1-NH2 3.23Å; E177-R387 IonicContact OE2-CZ 2.8Å; E177-R387 IonicContact OE2-NH1 3.36Å; E177-R387 PolarHBondContact OE2-NH1 2.87Å; E177-R387 IonicContact OE2-NH2 2.79Å; E177-R387 PolarHBondContact OE2-NH2 2.86Å
388	V	34.5	Very low	32.6	Very low	129 Å²	129	137.4 Å²	137.4	78%	0.782	76%	0.762	S	S	*	*			trans	64	77.6	-172	-165.4	0	0	0	0	113.4
389	A	30.5	Very low	33	Very low	83 Å²	83	135.9 Å²	135.9	69%	0.686	75%	0.746	S	S	*	*			trans	-147.1	46.2	170.6	0	0	0	0	0	112.2
390	N	28.7	Very low	33.3	Very low	140 Å²	140	132 Å²	132	75%	0.749	73%	0.73	S	S	*	*			trans	-152.4	74.5	172.9	-155.5	25.9	0	0	0	111.9
391	I	35.3	Very low	33.5	Very low	123 Å²	123	129.7 Å²	129.7	63%	0.631	72%	0.72	S	S	*	*			trans	-129.6	109.3	167.6	-54.7	178.1	0	0	0	107.2	F393	I391-F393 HydrophobicContact CG2-CD2 3.72Å; I391-F393 HydrophobicContact CG2-CE2 3.56Å; I391-F393 HydrophobicContact CG2-CZ 4.35Å; I391-F393 PolarHBondContact O-N 3.21Å
392	N	31.9	Very low	34.1	Very low	144 Å²	144	132.7 Å²	132.7	77%	0.77	71%	0.712	S	S	*	*			trans	-86.4	83.6	178.5	-76.3	-21.2	0	0	0	110.2	T394	N392-T394 PolarHBondContact O-N 3.25Å
393	F	33	Very low	34.8	Very low	148 Å²	148	132.6 Å²	132.6	65%	0.649	69%	0.691	S	S	*	*			trans	-65.7	126.7	164.1	-82	-80.4	0	0	0	109.7	I391 D397	I391-F393 HydrophobicContact CG2-CD2 3.72Å; I391-F393 HydrophobicContact CG2-CE2 3.56Å; I391-F393 HydrophobicContact CG2-CZ 4.35Å; I391-F393 PolarHBondContact O-N 3.21Å; F393-D397 HydrophobicContact CD1-CB 4.38Å; F393-D397 WeakPolarHBondContact CD1-OD2 3.49Å
394	T	33.7	Very low	35.4	Very low	105 Å²	105	130.9 Å²	130.9	64%	0.644	67%	0.671	S	S	*	*			trans	-89.9	165.6	177.1	68.9	0	0	0	0	110.8	N392 K396	N392-T394 PolarHBondContact O-N 3.25Å; T394-K396 PolarHBondContact O-N 3.22Å
395	N	33.3	Very low	35.6	Very low	178 Å²	178	123.5 Å²	123.5	95%	0.952	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	39	-167	-72.5	-41.8	0	0	0	116
396	K	37.1	Very low	35.7	Very low	186 Å²	186	119.3 Å²	119.3	81%	0.809	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.5	-23.2	175.8	-85.4	-172.6	172.1	-178.9	0	115.6	T394 R398	T394-K396 PolarHBondContact O-N 3.22Å; K396-R398 PolarHBondContact O-N 3.4Å
397	D	38.5	Very low	36.3	Very low	115 Å²	115	115.5 Å²	115.5	62%	0.615	60%	0.603	S	S	*	*			trans	-82.1	87.8	-177.7	-59.5	-40.7	0	0	0	111.1	F393 L399	F393-D397 HydrophobicContact CD1-CB 4.38Å; F393-D397 WeakPolarHBondContact CD1-OD2 3.49Å; D397-L399 PolarHBondContact O-N 2.76Å
398	R	36.5	Very low	36.5	Very low	232 Å²	232	111.8 Å²	111.8	88%	0.875	60%	0.596	S	S	*	*			trans	-84.5	104.4	172.8	-177.4	-179.5	-176.1	176.2	1.5	108.8	K396 T400	K396-R398 PolarHBondContact O-N 3.4Å; R398-T400 WeakPolarHBondContact O-CG2 3.46Å; R398-T400 PolarHBondContact O-N 3.38Å
399	L	42.4	Very low	36.5	Very low	92 Å²	92	111.8 Å²	111.8	48%	0.482	59%	0.587	S	S	.	*			trans	-41.9	135.3	173.1	-69.9	166.1	0	0	0	111.3	D397 D403 I741	D397-L399 PolarHBondContact O-N 2.76Å; L399-D403 HydrophobicContact CD2-CB 3.95Å; L399-I741 HydrophobicContact CD1-CG1 4.34Å
400	T	36.8	Very low	36.5	Very low	78 Å²	78	113.6 Å²	113.6	48%	0.479	59%	0.594	S	S	.	*			trans	-111.6	175.5	-174.4	66.2	0	0	0	0	111.2	R398 E402 D403	R398-T400 WeakPolarHBondContact O-CG2 3.46Å; R398-T400 PolarHBondContact O-N 3.38Å; T400-E402 PolarHBondContact O-N 2.72Å; T400-E402 PolarHBondContact OG1-N 2.97Å; T400-D403 PolarHBondContact N-OD2 2.9Å; T400-D403 PolarHBondContact O-N 3.23Å; T400-D403 VanDerWaalsContact O-N 3.16Å; T400-D403 PolarHBondContact OG1-OD2 3.07Å
401	S	39.5	Very low	36.6	Very low	94 Å²	94	112.8 Å²	112.8	66%	0.657	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-57.9	-28	173.3	46.9	0	0	0	0	113.1	D403 F404	S401-D403 PolarHBondContact O-N 3.44Å; S401-F404 CarbonylContact O-C 3.57Å; S401-F404 PolarHBondContact O-N 3.04Å; S401-F404 VanDerWaalsContact O-N 3.12Å
402	E	41	Very low	36.2	Very low	146 Å²	146	114.5 Å²	114.5	68%	0.682	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-69.5	-20.7	-179.8	-51.6	-51.3	107.9	0	0	113	T400 F404 P405	T400-E402 PolarHBondContact O-N 2.72Å; T400-E402 PolarHBondContact OG1-N 2.97Å; E402-F404 VanDerWaalsContact C-N 3.26Å; E402-P405 VanDerWaalsContact O-CD 3.26Å; E402-P405 WeakPolarHBondContact O-CD 3.33Å; E402-P405 WeakPolarHBondContact O-CG 3.17Å
403	D	44.7	Very low	36.2	Very low	86 Å²	86	113.8 Å²	113.8	46%	0.46	61%	0.61	S	S	.	*	G	3₁₀ helix	trans	-77.5	-13.8	174.3	-63.1	-71.1	0	0	0	112.4	L399 T400 S401 P405	L399-D403 HydrophobicContact CD2-CB 3.95Å; T400-D403 PolarHBondContact N-OD2 2.9Å; T400-D403 PolarHBondContact O-N 3.23Å; T400-D403 VanDerWaalsContact O-N 3.16Å; T400-D403 PolarHBondContact OG1-OD2 3.07Å; S401-D403 PolarHBondContact O-N 3.44Å; D403-P405 VanDerWaalsContact C-CD 3.45Å
404	F	42.8	Very low	36	Very low	58 Å²	58	111.7 Å²	111.7	25%	0.254	61%	0.614	S	S	.	*	S	Bend	trans	-125.2	59.1	176.3	-69.7	-92.8	0	0	0	113.3	S401 E402 S406 I724 F740 A744	S401-F404 CarbonylContact O-C 3.57Å; S401-F404 PolarHBondContact O-N 3.04Å; S401-F404 VanDerWaalsContact O-N 3.12Å; E402-F404 VanDerWaalsContact C-N 3.26Å; F404-S406 PolarHBondContact O-N 3.49Å; F404-I724 HydrophobicContact CB-CD1 4.2Å; F404-I724 HydrophobicContact CD1-CD1 3.93Å; F404-I724 HydrophobicContact CD1-CG1 4.16Å; F404-I724 HydrophobicContact CD1-CG2 4.13Å; F404-I724 HydrophobicContact CE1-CG2 4.27Å; F404-I724 HydrophobicContact CG-CD1 4.4Å; F404-F740 HydrophobicContact CE1-CE1 4.4Å; F404-F740 AromaticContact CE1-CZ 3.86Å; F404-F740 HydrophobicContact CE1-CZ 3.86Å; F404-F740 AromaticContact CE2-CE1 3.95Å; F404-F740 HydrophobicContact CE2-CE1 3.95Å; F404-F740 HydrophobicContact CE2-CZ 4.12Å; F404-F740 AromaticContact CZ-CE1 3.46Å; F404-F740 HydrophobicContact CZ-CE1 3.46Å; F404-F740 VanDerWaalsContact CZ-CE1 3.46Å; F404-F740 HydrophobicContact CZ-CE2 4.39Å; F404-F740 AromaticContact CZ-CZ 3.37Å; F404-F740 HydrophobicContact CZ-CZ 3.37Å; F404-A744 HydrophobicContact CZ-CB 4.36Å
405	P	33.9	Very low	35.7	Very low	94 Å²	94	113.5 Å²	113.5	61%	0.61	63%	0.625	S	S	*	*			trans	-59.9	125.5	169.9	-15.6	31.3	0	0	0	108.7	E402 D403	E402-P405 VanDerWaalsContact O-CD 3.26Å; E402-P405 WeakPolarHBondContact O-CD 3.33Å; E402-P405 WeakPolarHBondContact O-CG 3.17Å; D403-P405 VanDerWaalsContact C-CD 3.45Å
406	S	36.4	Very low	35.6	Very low	31 Å²	31	108.4 Å²	108.4	22%	0.217	62%	0.615	C	S	.	*			trans	-63.9	171	-166.1	-80.7	0	0	0	0	114	F404 T408 N720	F404-S406 PolarHBondContact O-N 3.49Å; S406-T408 PolarHBondContact O-N 2.8Å; S406-T408 PolarHBondContact O-OG1 2.86Å; S406-N720 WeakPolarHBondContact CA-ND2 3.24Å; S406-N720 WeakPolarHBondContact CB-ND2 3.24Å; S406-N720 PolarHBondContact OG-ND2 3.3Å
407	L	40.7	Very low	35.3	Very low	24 Å²	24	107.2 Å²	107.2	13%	0.126	62%	0.618	C	S	.	*	S	Bend	trans	-74	34.7	-179.5	-60.8	172.3	0	0	0	113.1	M716 N720 L793 P795	L407-M716 HydrophobicContact CB-SD 4.17Å; L407-M716 VanDerWaalsContact O-CE 3.26Å; L407-M716 WeakPolarHBondContact O-CE 3.36Å; L407-N720 HydrophobicContact CD1-CB 4.45Å; L407-N720 WeakPolarHBondContact CD1-OD1 3.4Å; L407-N720 WeakPolarHBondContact CG-OD1 3.32Å; L407-L793 HydrophobicContact CD1-CB 3.49Å; L407-L793 VanDerWaalsContact CD1-CB 3.49Å; L407-L793 HydrophobicContact CD1-CD1 4.39Å; L407-P795 HydrophobicContact CB-CG 4.46Å
408	T	36.3	Very low	35.1	Very low	62 Å²	62	105.8 Å²	105.8	38%	0.38	62%	0.615	S	S	.	*			trans	-96.1	158.2	-178.8	42.6	0	0	0	0	112	S406 M716 E717	S406-T408 PolarHBondContact O-N 2.8Å; S406-T408 PolarHBondContact O-OG1 2.86Å; T408-M716 HydrophobicContact CG2-CE 3.7Å; T408-M716 HydrophobicContact CG2-SD 4.1Å; T408-E717 HydrophobicContact CG2-CG 4.1Å
409	Q	33.3	Very low	34.9	Very low	129 Å²	129	99.7 Å²	99.7	60%	0.603	61%	0.605	S	S	*	*			trans	-102.2	152.8	-169.2	-65.1	173.6	-9.3	0	0	113.2	Y710	Q409-Y710 PolarHBondContact NE2-O 3.39Å
410	S	30.6	Very low	34.4	Very low	120 Å²	120	101.8 Å²	101.8	84%	0.839	62%	0.622	S	S	*	*			trans	-156.8	155.9	151.7	-87.5	0	0	0	0	110
411	P	31.6	Very low	34	Very low	123 Å²	123	109 Å²	109	80%	0.799	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-95.5	168.1	-138.4	-11.3	30.6	0	0	0	117.9
412	N	26	Very low	33.6	Very low	160 Å²	160	111 Å²	111	86%	0.856	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-60.8	141.1	173.1	-68	-21.5	0	0	0	113.8
413	P	31.7	Very low	32.9	Very low	128 Å²	128	114.7 Å²	114.7	83%	0.831	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-81.9	150.8	146.7	-6	24.8	0	0	0	111.3
414	S	30.3	Very low	32.3	Very low	105 Å²	105	116.2 Å²	116.2	73%	0.734	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-91.7	142	-174.1	52.2	0	0	0	0	114.7
415	T	26.9	Very low	31.6	Very low	142 Å²	142	120.5 Å²	120.5	87%	0.871	70%	0.699	S	S	*	*			trans	26.1	107.7	150.9	49	0	0	0	0	119.2
416	G	29.6	Very low	31.5	Very low	71 Å²	71	120.8 Å²	120.8	73%	0.732	71%	0.709	S	S	*	*			trans	-128.7	146.4	156.7	0	0	0	0	0	110.6
417	N	32.8	Very low	31.2	Very low	162 Å²	162	124.2 Å²	124.2	87%	0.866	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-79.2	143.3	-174.6	-69.3	-42.2	0	0	0	112.6
418	P	32.9	Very low	30.9	Very low	85 Å²	85	130.2 Å²	130.2	55%	0.552	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-75.1	135.7	173.7	30.5	-33.8	0	0	0	111.6
419	P	32.9	Very low	30.6	Very low	104 Å²	104	133.5 Å²	133.5	68%	0.675	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-77.4	133.3	175.1	30.5	-33.6	0	0	0	111.9
420	T	30.8	Very low	30.4	Very low	135 Å²	135	132.8 Å²	132.8	83%	0.828	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-85.3	121.8	178	-52	0	0	0	0	110.9
421	W	29.8	Very low	30.5	Very low	230 Å²	230	135.7 Å²	135.7	87%	0.871	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-98.7	119.1	176.5	-71.9	91.7	0	0	0	111.9
422	V	30.7	Very low	30.5	Very low	137 Å²	137	137.4 Å²	137.4	83%	0.83	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-97.6	138.7	168	179.6	0	0	0	0	108.8
423	R	26.8	Very low	30.9	Very low	223 Å²	223	134.8 Å²	134.8	84%	0.842	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-101.9	131	-174.3	177.4	-164.7	-71.3	-171.1	-2.9	110.9
424	S	31.5	Very low	30.9	Very low	117 Å²	117	137.9 Å²	137.9	82%	0.818	77%	0.772	S	S	*	*			trans	-166.1	151.6	140.5	-87.6	0	0	0	0	113.9
425	N	28.1	Very low	31	Very low	148 Å²	148	139.5 Å²	139.5	79%	0.791	78%	0.778	S	S	*	*			trans	-61	167.8	177.2	-44.1	-31.9	0	0	0	111.2
426	A	31.4	Very low	31.4	Very low	101 Å²	101	137.4 Å²	137.4	84%	0.835	78%	0.775	S	S	*	*			cis	-159.8	-173.2	35.4	0	0	0	0	0	113.8
427	S	31.3	Very low	31.6	Very low	102 Å²	102	142.5 Å²	142.5	71%	0.713	78%	0.782	S	S	*	*			trans	-107.3	144.6	-170.8	-44.5	0	0	0	0	114.1
428	Q	34.3	Very low	31.6	Very low	150 Å²	150	139.5 Å²	139.5	70%	0.701	77%	0.773	S	S	*	*			trans	-171.2	121.3	138	-102.9	156.7	-5.1	0	0	107.8	E588	Q428-E588 WeakPolarHBondContact CG-OE2 3.28Å; Q428-E588 PolarHBondContact NE2-OE2 2.91Å
429	L	28.5	Very low	31.7	Very low	132 Å²	132	141.8 Å²	141.8	69%	0.691	79%	0.786	S	S	*	*				86.3	145.8	61.2	-100.8	173.4	0	0	0	115
430	I	29.6	Very low	31.9	Very low	114 Å²	114	144.7 Å²	144.7	59%	0.585	79%	0.79	S	S	*	*			trans	89.9	105.5	160.3	-68.1	161.6	0	0	0	119.3
431	Q	33.8	Very low	32.2	Very low	181 Å²	181	144.8 Å²	144.8	85%	0.846	79%	0.785	S	S	*	*			trans	62.6	126.5	139.6	-63.8	170.5	6.6	0	0	121.6
432	N	30.1	Very low	32.5	Very low	158 Å²	158	138.4 Å²	138.4	85%	0.845	78%	0.776	S	S	*	*			trans	-126.8	121	159.6	-170.7	28.6	0	0	0	107.9
433	P	34.7	Very low	32.5	Very low	105 Å²	105	141.5 Å²	141.5	68%	0.682	78%	0.778	S	S	*	*			trans	-79.7	154.8	-177.3	32	-34.8	0	0	0	112.6
434	Q	31.1	Very low	33.1	Very low	193 Å²	193	136 Å²	136	90%	0.902	77%	0.771	S	S	*	*			trans	-79.2	150.4	170.9	-64.6	169.8	-21.4	0	0	110.5
435	T	33.8	Very low	33.2	Very low	139 Å²	139	136.2 Å²	136.2	85%	0.853	77%	0.768	S	S	*	*			trans	-140.5	118.8	164.6	-41.5	0	0	0	0	109.6
436	A	35.1	Very low	33.2	Very low	98 Å²	98	136.8 Å²	136.8	81%	0.81	77%	0.77	S	S	*	*			trans	-94.6	179.6	178.3	0	0	0	0	0	111.7
437	M	33.3	Very low	33.4	Very low	178 Å²	178	135.7 Å²	135.7	88%	0.877	77%	0.768	S	S	*	*			trans	-82.5	136.2	-163.4	-57.8	173.8	74.3	0	0	114.5
438	S	32.6	Very low	33.4	Very low	99 Å²	99	135.8 Å²	135.8	69%	0.692	77%	0.769	S	S	*	*			trans	55.9	145.4	137.4	-62.4	0	0	0	0	123.6
439	T	35.4	Very low	33.4	Very low	134 Å²	134	135.2 Å²	135.2	82%	0.822	77%	0.771	S	S	*	*			trans	76	91.6	147.9	39.3	0	0	0	0	121.1
440	H	37.7	Very low	33.6	Very low	165 Å²	165	134.8 Å²	134.8	76%	0.764	77%	0.769	S	S	*	*				114	128.5	105.2	-153.5	-138.4	0	0	0	118.8
441	L	35.8	Very low	33.8	Very low	136 Å²	136	137.7 Å²	137.7	71%	0.712	78%	0.78	S	S	*	*			trans	85.9	116.5	161.8	-66.7	168.1	0	0	0	123.2
442	S	37.9	Very low	33.7	Very low	97 Å²	97	133.1 Å²	133.1	68%	0.678	77%	0.773	S	S	*	*			trans	61.7	89.2	139.5	56.5	0	0	0	0	122.8
443	F	29.7	Very low	33.9	Very low	201 Å²	201	131.1 Å²	131.1	88%	0.882	77%	0.772	S	S	*	*				13.1	159.8	106.7	-64.7	-75.1	0	0	0	120.7
444	P	38.8	Very low	33.7	Very low	107 Å²	107	130.7 Å²	130.7	70%	0.695	78%	0.777	S	S	*	*			cis	-145.3	-163.8	-48.9	40.2	-20.1	0	0	0	112.9
445	T	33.6	Very low	33.8	Very low	123 Å²	123	126.2 Å²	126.2	76%	0.755	77%	0.767	S	S	*	*			trans	140.9	153	133.9	-52.4	0	0	0	0	114.6
446	L	28.8	Very low	33.9	Very low	160 Å²	160	124.7 Å²	124.7	84%	0.838	76%	0.762	S	S	*	*			trans	-79.4	161.2	-167.5	-61.9	72.4	0	0	0	115.3
447	G	35.1	Very low	34	Very low	77 Å²	77	124.8 Å²	124.8	79%	0.794	76%	0.757	S	S	*	*			trans	-161	133.5	156.5	0	0	0	0	0	110.8
448	S	32.7	Very low	34.2	Very low	104 Å²	104	121.7 Å²	121.7	73%	0.727	75%	0.753	S	S	*	*			trans	-126.3	171.3	-172.7	-56.7	0	0	0	0	113.1
449	N	33.9	Very low	34.7	Very low	139 Å²	139	122.3 Å²	122.3	74%	0.743	76%	0.755	S	S	*	*			trans	95.6	101.9	159.3	-61.1	-8.5	0	0	0	120
450	N	33.1	Very low	34.7	Very low	123 Å²	123	121.6 Å²	121.6	66%	0.658	76%	0.755	S	S	*	*				77	123.7	111.9	-67.1	3.2	0	0	0	124.1
451	H	34	Very low	34.8	Very low	174 Å²	174	119.6 Å²	119.6	81%	0.806	76%	0.76	S	S	*	*			trans	83.8	144.9	134.6	-67.4	-41.6	0	0	0	122.8
452	A	30.4	Very low	34.7	Very low	85 Å²	85	116 Å²	116	70%	0.702	76%	0.755	S	S	*	*			trans	94	91.3	144.4	0	0	0	0	0	121.5
453	S	33.7	Very low	34.5	Very low	116 Å²	116	122.3 Å²	122.3	81%	0.811	76%	0.764	S	S	*	*				86.5	139.7	115	-58.1	0	0	0	0	123
454	A	32.2	Very low	35	Very low	97 Å²	97	118.6 Å²	118.6	80%	0.802	76%	0.76	S	S	*	*			trans	69.2	152	150	0	0	0	0	0	119.1
455	S	32.7	Very low	34.8	Very low	98 Å²	98	121.4 Å²	121.4	69%	0.685	76%	0.761	S	S	*	*			cis	-170.7	171.4	-21.1	54.3	0	0	0	0	110.4
456	S	34.9	Very low	34.9	Very low	108 Å²	108	122.2 Å²	122.2	76%	0.755	77%	0.766	S	S	*	*			trans	65.1	153.4	157	38	0	0	0	0	119.2
457	S	37.5	Very low	35.1	Very low	100 Å²	100	118.7 Å²	118.7	70%	0.699	76%	0.755	S	S	*	*			cis	-175.8	138.5	-18	52.8	0	0	0	0	113.5
458	S	37	Very low	35.1	Very low	113 Å²	113	126.6 Å²	126.6	79%	0.79	76%	0.761	S	S	*	*			trans	62.2	175.4	132.7	-55.7	0	0	0	0	121.6
459	P	44.8	Very low	35.1	Very low	112 Å²	112	128.3 Å²	128.3	73%	0.727	76%	0.762	S	S	*	*				-143.4	179.5	-57.6	42.9	-27.3	0	0	0	116.7
460	S	33.8	Very low	35.2	Very low	119 Å²	119	129 Å²	129	83%	0.832	76%	0.763	S	S	*	*			trans	74.3	159	153.1	81.3	0	0	0	0	119
461	S	40	Very low	35.3	Very low	123 Å²	123	127.4 Å²	127.4	86%	0.86	76%	0.761	S	S	*	*			cis	-138.6	-162.1	5.5	69.5	0	0	0	0	110.5
462	G	34.7	Very low	35.3	Very low	59 Å²	59	123.4 Å²	123.4	61%	0.608	75%	0.752	S	S	*	*			cis	-177.5	179.5	8.9	0	0	0	0	0	111.9
463	W	33.8	Very low	35.4	Very low	231 Å²	231	127.9 Å²	127.9	88%	0.875	76%	0.759	S	S	*	*			trans	-137.6	166.6	-175	-77	42.5	0	0	0	111.3	K465	W463-K465 HydrophobicContact CE3-CG 4.34Å
464	P	38.9	Very low	35.4	Very low	123 Å²	123	131.7 Å²	131.7	80%	0.799	76%	0.764	S	S	*	*				-142.2	154.5	98	37.5	-23	0	0	0	114
465	K	35.9	Very low	35.4	Very low	166 Å²	166	135.1 Å²	135.1	72%	0.722	76%	0.763	S	S	*	*			cis	84.3	118.7	37	-99.7	-170.2	177.8	-179.3	0	117.2	W463	W463-K465 HydrophobicContact CE3-CG 4.34Å
466	T	34.3	Very low	35.4	Very low	140 Å²	140	136 Å²	136	86%	0.859	77%	0.767	S	S	*	*			trans	-177.5	154.5	144.8	-75.2	0	0	0	0	109.5
467	S	33.5	Very low	35.2	Very low	86 Å²	86	139.6 Å²	139.6	60%	0.601	77%	0.769	S	S	*	*				-176.5	122.4	-67.4	-86.2	0	0	0	0	112.4
468	R	35.3	Very low	34.8	Very low	242 Å²	242	139.7 Å²	139.7	91%	0.913	77%	0.769	S	S	*	*			trans	176.5	119.9	151.5	-104.4	167.9	-81.5	-166.6	-1.1	108.1
469	N	32	Very low	34.5	Very low	140 Å²	140	140.3 Å²	140.3	75%	0.749	77%	0.768	S	S	*	*			cis	66.4	134.1	42.7	-94.6	39.3	0	0	0	113.4
470	M	37.5	Very low	33.8	Very low	154 Å²	154	144.3 Å²	144.3	76%	0.759	78%	0.775	S	S	*	*			cis	-139	146.9	18.3	-71.4	-165.2	67.9	0	0	112.1
471	S	33.7	Very low	34	Very low	89 Å²	89	144.1 Å²	144.1	62%	0.622	77%	0.771	S	S	*	*				78.5	150.2	77.7	-36.5	0	0	0	0	114.4
472	S	35.3	Very low	33.7	Very low	90 Å²	90	144.3 Å²	144.3	63%	0.629	77%	0.769	S	S	*	*			cis	-152.7	150.9	16	-55.5	0	0	0	0	114.5
473	E	30.8	Very low	33.6	Very low	179 Å²	179	147.3 Å²	147.3	84%	0.836	78%	0.781	S	S	*	*			trans	48.8	148.3	132.1	-62	162.1	114.2	0	0	121.4
474	E	34.5	Very low	33.6	Very low	197 Å²	197	143.2 Å²	143.2	92%	0.921	78%	0.782	S	S	*	*			cis	-137.1	-168.9	31.8	-68.7	-172.5	107.2	0	0	115.7
475	Q	32.2	Very low	33.3	Very low	169 Å²	169	142.1 Å²	142.1	79%	0.79	78%	0.776	S	S	*	*			trans	-100.3	177.5	-173.9	-115.9	-172.7	46.4	0	0	112.9
476	P	33.8	Very low	33.4	Very low	117 Å²	117	142.7 Å²	142.7	76%	0.76	79%	0.786	S	S	*	*			cis	-150.3	-166.2	42.8	43.4	-19.9	0	0	0	118.4
477	K	29.4	Very low	33.7	Very low	183 Å²	183	144.6 Å²	144.6	80%	0.796	79%	0.786	S	S	*	*			trans	-60	155.7	177.9	-55.9	162	179	169.1	0	113
478	S	30.2	Very low	33.8	Very low	101 Å²	101	146.3 Å²	146.3	71%	0.706	79%	0.793	S	S	*	*				177.7	168.1	57.2	69.7	0	0	0	0	114.8
479	T	30.2	Very low	34	Very low	126 Å²	126	140.3 Å²	140.3	77%	0.773	79%	0.785	S	S	*	*			trans	74.8	132.2	149.8	-43.1	0	0	0	0	120.2
480	F	30.8	Very low	34.8	Very low	197 Å²	197	137 Å²	137	86%	0.864	77%	0.77	S	S	*	*			trans	-94.3	159	177.7	-66.8	-97	0	0	0	113.5
481	P	37.4	Very low	35.2	Very low	115 Å²	115	136.1 Å²	136.1	75%	0.747	78%	0.776	S	S	*	*			trans	-105.9	159.4	138.3	35.5	-29.1	0	0	0	112
482	P	34.4	Very low	36.1	Very low	126 Å²	126	136.5 Å²	136.5	82%	0.818	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-93.5	165.2	-163.9	36.6	-37.5	0	0	0	116.1
483	S	30.9	Very low	37	Very low	122 Å²	122	137 Å²	137	85%	0.853	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-63.1	137.6	178.9	-45.1	0	0	0	0	114.2
484	T	33.9	Very low	37.6	Very low	146 Å²	146	136.9 Å²	136.9	90%	0.896	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-82.9	128.9	167.6	-41.1	0	0	0	0	110.3
485	S	33.9	Very low	38.2	Very low	99 Å²	99	133.4 Å²	133.4	69%	0.692	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-84.8	133.4	179.2	46	0	0	0	0	112.5
486	L	37.4	Very low	38.6	Very low	178 Å²	178	131.2 Å²	131.2	93%	0.932	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-77.7	120.1	163.9	-78.5	163	0	0	0	108.6
487	Q	40.4	Very low	38.8	Very low	181 Å²	181	133.4 Å²	133.4	85%	0.846	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-77.5	138.4	179.9	-66.8	178.2	-9.8	0	0	110.8
488	T	36.8	Very low	39.3	Very low	122 Å²	122	130.6 Å²	130.6	75%	0.748	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-71.3	134.4	168.4	47	0	0	0	0	109.9
489	P	39.5	Very low	39.4	Very low	115 Å²	115	132.6 Å²	132.6	75%	0.747	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-62.6	151.3	179	27.9	-35.3	0	0	0	111.1
490	T	47.7	Very low	39.6	Very low	70 Å²	70	134.4 Å²	134.4	43%	0.429	79%	0.787	S	S	.	*			trans	-107.2	165.5	-177.7	66	0	0	0	0	110.6	S492 D493	T490-S492 PolarHBondContact O-N 3.32Å; T490-S492 WeakPolarHBondContact OG1-CB 3.27Å; T490-S492 PolarHBondContact OG1-N 3.03Å; T490-S492 PolarHBondContact OG1-OG 3.48Å; T490-D493 PolarHBondContact N-OD2 2.86Å; T490-D493 PolarHBondContact O-N 3.29Å; T490-D493 VanDerWaalsContact O-OD2 3.11Å; T490-D493 PolarHBondContact OG1-OD2 2.92Å; T490-D493 VanDerWaalsContact OG1-OD2 3.11Å
491	P	46.1	Very low	39.9	Very low	136 Å²	136	129.3 Å²	129.3	88%	0.883	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-3.6	174	-24	35.8	0	0	0	115
492	S	53.5	Low	39.7	Very low	97 Å²	97	131 Å²	131	68%	0.678	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-19.8	179.3	-27	0	0	0	0	113.7	T490 F494	T490-S492 PolarHBondContact O-N 3.32Å; T490-S492 WeakPolarHBondContact OG1-CB 3.27Å; T490-S492 PolarHBondContact OG1-N 3.03Å; T490-S492 PolarHBondContact OG1-OG 3.48Å; S492-F494 VanDerWaalsContact C-N 3.27Å; S492-F494 PolarHBondContact O-N 3.2Å
493	D	54	Low	39.9	Very low	101 Å²	101	131 Å²	131	54%	0.54	78%	0.779	S	S	.	*	S	Bend	trans	-85.8	14.3	-162.9	-62.3	-57.8	0	0	0	114.5	T490	T490-D493 PolarHBondContact N-OD2 2.86Å; T490-D493 PolarHBondContact O-N 3.29Å; T490-D493 VanDerWaalsContact O-OD2 3.11Å; T490-D493 PolarHBondContact OG1-OD2 2.92Å; T490-D493 VanDerWaalsContact OG1-OD2 3.11Å
494	F	43.6	Very low	40	Very low	177 Å²	177	130.7 Å²	130.7	78%	0.776	78%	0.777	S	S	*	*	S	Bend	trans	-125.6	130.8	176.8	-77.9	-86.4	0	0	0	112.2	S492	S492-F494 VanDerWaalsContact C-N 3.27Å; S492-F494 PolarHBondContact O-N 3.2Å
495	P	47	Very low	39.8	Very low	124 Å²	124	131.9 Å²	131.9	81%	0.805	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-76	129.3	-176.2	29.9	-34.7	0	0	0	112.8
496	S	39.7	Very low	39.9	Very low	122 Å²	122	133 Å²	133	85%	0.853	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-71.7	135.1	179.2	-48.5	0	0	0	0	113
497	L	37.9	Very low	39.4	Very low	164 Å²	164	131.2 Å²	131.2	86%	0.859	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-101.7	146.4	166	-73.4	173.4	0	0	0	110.6
498	P	41.1	Very low	39	Very low	123 Å²	123	134.7 Å²	134.7	80%	0.799	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-78.2	131.1	-162	29.3	-35.7	0	0	0	113.8
499	T	31.1	Very low	38.6	Very low	144 Å²	144	134.4 Å²	134.4	88%	0.883	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-76.7	137.6	159.8	40.7	0	0	0	0	110.3
500	N	35.4	Very low	38.1	Very low	163 Å²	163	135.9 Å²	135.9	87%	0.872	77%	0.771	S	S	*	*			trans	-144.7	154.1	164.1	-156.6	-1.9	0	0	0	109.6
501	S	36.6	Very low	37.4	Very low	91 Å²	91	139 Å²	139	64%	0.636	79%	0.786	S	S	*	*			trans	-118.3	164.5	-151.3	52.5	0	0	0	0	115.5
502	N	33.1	Very low	36.4	Very low	149 Å²	149	139.6 Å²	139.6	80%	0.797	78%	0.781	S	S	*	*			trans	63.3	120.7	164.5	-62.5	-10.4	0	0	0	119.3
503	P	37.5	Very low	35.4	Very low	128 Å²	128	142.2 Å²	142.2	83%	0.831	79%	0.793	S	S	*	*			trans	-107.9	121.4	147.4	33.8	-23.6	0	0	0	110.9
504	S	34.5	Very low	34.1	Very low	115 Å²	115	142.6 Å²	142.6	80%	0.804	80%	0.803	S	S	*	*			trans	-92.7	138.8	169.7	43.4	0	0	0	0	111.4
505	H	30.1	Very low	33.7	Very low	171 Å²	171	144.5 Å²	144.5	79%	0.792	81%	0.811	S	S	*	*			trans	-65.9	153.4	171.3	-77.7	-94	0	0	0	111.3
506	P	34	Very low	32.8	Very low	122 Å²	122	143.9 Å²	143.9	79%	0.792	81%	0.81	S	S	*	*				-137.4	150.1	106	37.1	-27.5	0	0	0	114.5
507	N	27.3	Very low	32.5	Very low	141 Å²	141	145.1 Å²	145.1	75%	0.754	81%	0.812	S	S	*	*			trans	-74.5	147.1	169.7	-67.5	-36.8	0	0	0	111.5
508	R	32.8	Very low	32	Very low	253 Å²	253	144.4 Å²	144.4	96%	0.955	81%	0.808	S	S	*	*			trans	-149.6	144.3	143.5	-132	174.4	-174.8	-178	1	113.2
509	T	28.2	Very low	31.6	Very low	116 Å²	116	146.1 Å²	146.1	71%	0.712	81%	0.806	S	S	*	*			trans	-106.7	169.8	-168.6	-38.8	0	0	0	0	110.8
510	I	29.8	Very low	31.5	Very low	146 Å²	146	144.8 Å²	144.8	75%	0.749	79%	0.793	S	S	*	*			trans	63	151.3	169.5	36.3	-179.7	0	0	0	115.9
511	N	31.5	Very low	31.4	Very low	136 Å²	136	147.3 Å²	147.3	73%	0.727	80%	0.796	S	S	*	*			cis	-147.6	171.3	14.7	-140.8	-21.9	0	0	0	113.4
512	L	26.2	Very low	31	Very low	149 Å²	149	148.5 Å²	148.5	78%	0.78	80%	0.804	S	S	*	*			trans	-80.8	148.2	173.7	-68.5	79.9	0	0	0	112
513	T	32.1	Very low	31.1	Very low	152 Å²	152	151.5 Å²	151.5	93%	0.933	81%	0.81	S	S	*	*			trans	-164.9	152.6	140	0.7	0	0	0	0	111.6
514	S	26.7	Very low	30.6	Very low	109 Å²	109	151.8 Å²	151.8	76%	0.762	80%	0.804	S	S	*	*			trans	-111.4	152.7	-178.6	51.4	0	0	0	0	112.1
515	K	36	Very low	30.5	Very low	216 Å²	216	156.1 Å²	156.1	94%	0.939	81%	0.809	S	S	*	*			trans	-162.7	149.8	157.7	-111.6	159.1	-170.9	176.1	0	111.4
516	S	27.8	Very low	30.7	Very low	112 Å²	112	156.4 Å²	156.4	78%	0.783	81%	0.808	S	S	*	*			trans	-103.5	152	-176.6	47.3	0	0	0	0	112.1
517	V	33.2	Very low	30.5	Very low	148 Å²	148	157 Å²	157	90%	0.897	81%	0.81	S	S	*	*			trans	-136.4	143.4	157.2	-179.6	0	0	0	0	107.7
518	L	27.8	Very low	30.9	Very low	148 Å²	148	156.5 Å²	156.5	78%	0.775	81%	0.814	S	S	*	*			trans	-101.6	160.8	-177.2	-152.2	76.7	0	0	0	110
519	E	31.6	Very low	30.8	Very low	160 Å²	160	149.4 Å²	149.4	75%	0.748	81%	0.809	S	S	*	*				150.7	114.6	128.9	-79.5	-146.4	82.8	0	0	115.9
520	N	29.3	Very low	31.2	Very low	115 Å²	115	148.6 Å²	148.6	62%	0.615	81%	0.814	S	S	*	*				47.3	108.9	122.2	-56.3	-32.6	0	0	0	120.9
521	K	34.2	Very low	31.2	Very low	217 Å²	217	148.8 Å²	148.8	94%	0.943	82%	0.817	S	S	*	*				-163.4	135.9	106.4	-104	149	-170.8	162.7	0	113.2
522	S	28.4	Very low	31.4	Very low	115 Å²	115	149.3 Å²	149.3	80%	0.804	83%	0.825	S	S	*	*			trans	-116.9	151.6	179.4	52.6	0	0	0	0	111.2
523	K	34.5	Very low	31.7	Very low	212 Å²	212	148.7 Å²	148.7	92%	0.922	82%	0.821	S	S	*	*			trans	-139.5	146.4	159.7	-80.7	-164.8	174.2	-179.3	0	110.2
524	L	27.2	Very low	31.8	Very low	135 Å²	135	151.1 Å²	151.1	71%	0.707	82%	0.818	S	S	*	*			trans	-131.2	138.8	-168.6	173.9	77.2	0	0	0	108.3
525	F	32.3	Very low	32	Very low	206 Å²	206	155.1 Å²	155.1	90%	0.904	82%	0.822	S	S	*	*			trans	-139.6	148	161.2	-93.1	-78	0	0	0	110.9
526	K	33.9	Very low	31.8	Very low	176 Å²	176	153.7 Å²	153.7	77%	0.765	82%	0.816	S	S	*	*			trans	-116.1	157	-172.8	-66.5	-178.4	176.7	-178.4	0	111.5
527	T	30	Very low	32.2	Very low	135 Å²	135	152.2 Å²	152.2	83%	0.828	80%	0.802	S	S	*	*			trans	-81	162.7	164	46	0	0	0	0	112.1
528	P	36.2	Very low	32.2	Very low	130 Å²	130	153.1 Å²	153.1	84%	0.844	80%	0.797	S	S	*	*			trans	-134	177.2	133.8	37.9	-27.1	0	0	0	112.7
529	A	30.5	Very low	32.7	Very low	104 Å²	104	151.3 Å²	151.3	86%	0.86	79%	0.794	S	S	*	*			trans	-136.6	164.4	-176.9	0	0	0	0	0	112.4
530	A	35.1	Very low	32.8	Very low	99 Å²	99	151.3 Å²	151.3	82%	0.818	80%	0.798	S	S	*	*			trans	-164.2	153.2	165	0	0	0	0	0	112.8
531	D	31.1	Very low	32.9	Very low	151 Å²	151	151.3 Å²	151.3	81%	0.807	81%	0.807	S	S	*	*			trans	-87.5	177.4	-168.3	-49.7	-93.9	0	0	0	117
532	V	35.4	Very low	32.9	Very low	146 Å²	146	145.3 Å²	145.3	89%	0.885	80%	0.798	S	S	*	*				175.9	159.9	121.9	151.7	0	0	0	0	112.7
533	I	32.3	Very low	33.2	Very low	137 Å²	137	144.4 Å²	144.4	70%	0.703	79%	0.792	S	S	*	*			trans	-123.7	146	-155.2	-61.8	156.6	0	0	0	114.9
534	K	35.2	Very low	33	Very low	202 Å²	202	141.3 Å²	141.3	88%	0.878	79%	0.791	S	S	*	*			trans	156.7	139.6	148.3	-82.7	142.8	-157	164.7	0	110.1
535	K	30.1	Very low	33.2	Very low	194 Å²	194	138.5 Å²	138.5	84%	0.843	79%	0.794	S	S	*	*			cis	96.8	95.7	3.8	-157	-179.7	-177.4	-179	0	120.1
536	K	32.6	Very low	33.1	Very low	186 Å²	186	136.1 Å²	136.1	81%	0.809	79%	0.79	S	S	*	*			trans	-167	159.7	150.5	-97.6	-143.4	163.3	-172.3	0	109.4
537	T	34.2	Very low	33.2	Very low	81 Å²	81	136 Å²	136	50%	0.497	79%	0.79	S	S	.	*			cis	103.6	121.3	13.7	-60.5	0	0	0	0	114.1
538	E	33.5	Very low	33.2	Very low	167 Å²	167	136.5 Å²	136.5	78%	0.78	79%	0.787	S	S	*	*			cis	-166.2	179.7	-9.9	-115.8	125.6	67.5	0	0	110.9
539	P	39.2	Very low	32.8	Very low	109 Å²	109	135.4 Å²	135.4	71%	0.708	78%	0.779	S	S	*	*			trans	-110	-175	-162.4	43	-37.7	0	0	0	117.1
540	L	33.4	Very low	33	Very low	160 Å²	160	140.3 Å²	140.3	84%	0.838	78%	0.78	S	S	*	*			trans	166.4	139.4	140.3	-93.5	160.5	0	0	0	117.9
541	S	32.3	Very low	32.7	Very low	116 Å²	116	145.2 Å²	145.2	81%	0.811	78%	0.783	S	S	*	*			trans	62	166.3	146.2	70.8	0	0	0	0	120.6
542	A	33.3	Very low	32.9	Very low	90 Å²	90	143.2 Å²	143.2	74%	0.744	78%	0.778	S	S	*	*			cis	-177.1	171.9	-18.9	0	0	0	0	0	108.8
543	S	34	Very low	32.7	Very low	97 Å²	97	146 Å²	146	68%	0.678	78%	0.779	S	S	*	*			cis	-172.5	170.1	-31.4	63.6	0	0	0	0	111.7
544	T	31.2	Very low	33	Very low	146 Å²	146	145 Å²	145	90%	0.896	78%	0.781	S	S	*	*			trans	68.7	140.4	158	55.1	0	0	0	0	124.4
545	G	30.8	Very low	32.8	Very low	76 Å²	76	145.7 Å²	145.7	78%	0.784	78%	0.778	S	S	*	*			trans	170.1	137.8	164.2	0	0	0	0	0	113.4
546	L	30.9	Very low	32.9	Very low	157 Å²	157	144 Å²	144	82%	0.822	77%	0.773	S	S	*	*			trans	-153.6	170.6	-155.9	-149.6	89.2	0	0	0	116.2
547	K	35.7	Very low	32.8	Very low	174 Å²	174	139.4 Å²	139.4	76%	0.757	76%	0.764	S	S	*	*			trans	92.5	125.3	164.7	-59.5	171.1	-174	174.8	0	115.4
548	N	29.4	Very low	32.5	Very low	144 Å²	144	140.2 Å²	140.2	77%	0.77	77%	0.773	S	S	*	*				99.4	151	57.8	-74.9	0.1	0	0	0	111.8
549	T	29	Very low	32.3	Very low	108 Å²	108	143.2 Å²	143.2	66%	0.663	78%	0.777	S	S	*	*			cis	-171.9	151.4	-18.9	32.3	0	0	0	0	108.7
550	K	33.3	Very low	31.8	Very low	206 Å²	206	143.9 Å²	143.9	90%	0.896	78%	0.779	S	S	*	*			trans	161.6	157.5	131.1	-87.4	163.7	-176.1	179.2	0	115.7
551	K	29.3	Very low	31.6	Very low	202 Å²	202	142.5 Å²	142.5	88%	0.878	77%	0.772	S	S	*	*			trans	-114	-170.6	170.3	-76.5	-175.1	174	178.4	0	107.7
552	P	35	Very low	31.5	Very low	109 Å²	109	143 Å²	143	71%	0.708	77%	0.765	S	S	*	*			cis	-151.3	165.5	11.5	43.5	-21.8	0	0	0	121.9
553	K	32	Very low	31.1	Very low	206 Å²	206	145.3 Å²	145.3	90%	0.896	77%	0.765	S	S	*	*			trans	77.3	154.5	139.5	-82.7	179.7	176	-175.5	0	123.6
554	P	37.8	Very low	31.1	Very low	115 Å²	115	150.2 Å²	150.2	75%	0.747	78%	0.777	S	S	*	*			trans	-126.1	-165.6	-171.9	46.1	-30.7	0	0	0	114.2
555	R	32.2	Very low	30.9	Very low	217 Å²	217	148.1 Å²	148.1	82%	0.819	77%	0.769	S	S	*	*			trans	-172.8	140.1	153.7	-111.3	178.9	159.1	171.2	-0.2	116.8
556	H	32.9	Very low	31.1	Very low	158 Å²	158	152.2 Å²	152.2	73%	0.731	77%	0.773	S	S	*	*			trans	59.2	157.7	147.4	-67.8	-47.4	0	0	0	121.3
557	S	28.8	Very low	31	Very low	89 Å²	89	152.3 Å²	152.3	62%	0.622	77%	0.769	S	S	*	*			cis	-170.2	124.7	-15.1	160.8	0	0	0	0	114.6
558	S	29.7	Very low	30.7	Very low	98 Å²	98	152.1 Å²	152.1	69%	0.685	77%	0.77	S	S	*	*			trans	57.5	151.9	133.9	-34.2	0	0	0	0	125.2
559	R	28.8	Very low	30.6	Very low	230 Å²	230	149.3 Å²	149.3	87%	0.868	78%	0.775	S	S	*	*			trans	74.9	149.8	148.7	-77.5	171.6	-175	-177.7	-0.1	119
560	T	28.7	Very low	30.4	Very low	123 Å²	123	147.7 Å²	147.7	76%	0.755	78%	0.78	S	S	*	*			cis	-164.1	-159.4	-32.3	21.8	0	0	0	0	105.3
561	I	29.3	Very low	30.2	Very low	132 Å²	132	147 Å²	147	68%	0.677	78%	0.782	S	S	*	*			cis	-162	169.1	10.2	-153.8	170.2	0	0	0	109.8
562	N	28.8	Very low	30.1	Very low	127 Å²	127	143.8 Å²	143.8	68%	0.679	78%	0.779	S	S	*	*			trans	65	166.7	166.9	-71.5	5.6	0	0	0	117.9
563	N	26.5	Very low	29.9	Very low	138 Å²	138	146.3 Å²	146.3	74%	0.738	79%	0.786	S	S	*	*			cis	167.7	134.6	-40.9	-95.5	6.6	0	0	0	105.8
564	E	32.6	Very low	29.9	Very low	199 Å²	199	143.7 Å²	143.7	93%	0.93	78%	0.775	S	S	*	*				172.5	173	125.4	-94.9	171.4	175.3	0	0	111.9
565	S	28.4	Very low	29.5	Very low	103 Å²	103	145.4 Å²	145.4	72%	0.72	78%	0.778	S	S	*	*			trans	-92.1	164	-162.5	-54.9	0	0	0	0	114.2
566	D	33.7	Very low	29.8	Very low	162 Å²	162	141 Å²	141	87%	0.866	77%	0.77	S	S	*	*				175.4	176.3	113.9	-87.6	-6.2	0	0	0	112.5
567	E	28.6	Very low	29.8	Very low	158 Å²	158	138.7 Å²	138.7	74%	0.738	77%	0.772	S	S	*	*			trans	-119.1	174	-156.2	-54.2	-169.8	76.6	0	0	116.7
568	H	31	Very low	30.2	Very low	171 Å²	171	144.1 Å²	144.1	79%	0.792	79%	0.787	S	S	*	*			trans	86.3	147.3	154.6	-47.2	-34.8	0	0	0	121.2
569	G	26.2	Very low	30.2	Very low	84 Å²	84	148.8 Å²	148.8	87%	0.866	80%	0.795	S	S	*	*			trans	80.9	150.5	171.7	0	0	0	0	0	115.4
570	G	25.2	Very low	30.5	Very low	74 Å²	74	148.9 Å²	148.9	76%	0.763	80%	0.797	S	S	*	*			cis	165.4	157.1	-2.5	0	0	0	0	0	109.2
571	M	28.9	Very low	30.6	Very low	193 Å²	193	148 Å²	148	95%	0.951	79%	0.792	S	S	*	*			cis	-151.3	178.5	-7.4	-93.4	-168	171.4	0	0	110
572	T	27.2	Very low	30.5	Very low	133 Å²	133	149 Å²	149	82%	0.816	80%	0.799	S	S	*	*			trans	-92.2	155	-177.2	46	0	0	0	0	115.5
573	L	31.2	Very low	30.7	Very low	163 Å²	163	149.8 Å²	149.8	85%	0.853	80%	0.803	S	S	*	*			trans	-146	146.7	156.9	-75.5	174.3	0	0	0	109.2
574	K	32.5	Very low	30.9	Very low	150 Å²	150	151.5 Å²	151.5	65%	0.652	81%	0.807	S	S	*	*			cis	-156.9	144.6	-28.8	-157.9	179.5	-177.7	-100.2	0	106.2	D576	K574-D576 IonicContact NZ-OD1 2.88Å; K574-D576 PolarHBondContact NZ-OD1 2.94Å; K574-D576 IonicContact NZ-OD2 3.08Å; K574-D576 PolarHBondContact NZ-OD2 3.49Å
575	D	28.7	Very low	30.9	Very low	151 Å²	151	147.7 Å²	147.7	81%	0.807	80%	0.802	S	S	*	*			trans	-144.9	106.6	-176.1	-159.8	5.8	0	0	0	107.7
576	D	38.5	Very low	30.9	Very low	125 Å²	125	151.2 Å²	151.2	67%	0.668	81%	0.812	S	S	*	*			trans	-104.7	118.1	-173.8	-69.5	-53.9	0	0	0	109.4	K574	K574-D576 IonicContact NZ-OD1 2.88Å; K574-D576 PolarHBondContact NZ-OD1 2.94Å; K574-D576 IonicContact NZ-OD2 3.08Å; K574-D576 PolarHBondContact NZ-OD2 3.49Å
577	S	31.9	Very low	30.8	Very low	109 Å²	109	151.4 Å²	151.4	76%	0.762	81%	0.812	S	S	*	*			trans	-114.8	131.1	-177.7	-69	0	0	0	0	111.6
578	E	37	Very low	30.9	Very low	203 Å²	203	148.7 Å²	148.7	95%	0.949	80%	0.799	S	S	*	*			trans	-117.8	136.2	161.8	-66.7	-158.9	134.7	0	0	110.9
579	K	30.4	Very low	30.9	Very low	196 Å²	196	149.6 Å²	149.6	85%	0.852	80%	0.801	S	S	*	*			trans	-96.5	137.6	171.2	-75.9	179.8	172.4	-178.2	0	109.1
580	Y	35.1	Very low	31	Very low	232 Å²	232	150.2 Å²	150.2	91%	0.91	79%	0.79	S	S	*	*			trans	-139	163.2	141.8	-109.4	-81.4	0	0	0	110.7
581	T	30.3	Very low	31.3	Very low	106 Å²	106	155.2 Å²	155.2	65%	0.65	79%	0.793	S	S	*	*			trans	-102.4	154.1	-161.2	47	0	0	0	0	113.8
582	D	29	Very low	31.4	Very low	152 Å²	152	155.4 Å²	155.4	81%	0.813	79%	0.789	S	S	*	*			trans	41.2	110.1	151.2	-51.4	-24.4	0	0	0	119.2
583	D	32.8	Very low	31.6	Very low	143 Å²	143	152.5 Å²	152.5	77%	0.765	77%	0.772	S	S	*	*				-155.6	178.8	106.1	-140.6	-28	0	0	0	112.2
584	Q	30.5	Very low	31.9	Very low	174 Å²	174	152.3 Å²	152.3	81%	0.813	77%	0.766	S	S	*	*			trans	-82.1	137.7	-159.9	-63.8	148.9	67.8	0	0	115.8
585	S	32.6	Very low	32.2	Very low	120 Å²	120	149 Å²	149	84%	0.839	75%	0.754	S	S	*	*			trans	-165.5	133.5	134.6	38.1	0	0	0	0	111.4
586	L	28.5	Very low	32.5	Very low	177 Å²	177	150.9 Å²	150.9	93%	0.927	75%	0.75	S	S	*	*			trans	-93.1	123.2	179.5	-80.1	163.2	0	0	0	110.8
587	L	31.9	Very low	32.4	Very low	165 Å²	165	148.3 Å²	148.3	86%	0.864	74%	0.739	S	S	*	*			trans	-143	113.7	165.7	-110.1	146.4	0	0	0	108.3
588	E	28.8	Very low	32.6	Very low	101 Å²	101	147 Å²	147	47%	0.472	73%	0.727	S	S	.	*	P	Polyproline II helix	trans	-70.1	131.6	-170.5	-63.8	-171.8	137.9	0	0	112	Q428	Q428-E588 WeakPolarHBondContact CG-OE2 3.28Å; Q428-E588 PolarHBondContact NE2-OE2 2.91Å
589	K	32	Very low	32.3	Very low	190 Å²	190	144.4 Å²	144.4	83%	0.826	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-85.9	135.8	168.4	-70.9	176.4	179.6	172.3	0	109.1	Q591	K589-Q591 PolarHBondContact O-N 2.92Å
590	P	29.2	Very low	32.5	Very low	98 Å²	98	141 Å²	141	64%	0.636	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-63.2	121.2	178.8	26	-33.8	0	0	0	110.3	F592	P590-F592 PolarHBondContact O-N 3.06Å; P590-F592 VanDerWaalsContact O-N 3.16Å
591	Q	30.1	Very low	32.2	Very low	179 Å²	179	137.1 Å²	137.1	84%	0.836	70%	0.703	S	S	*	*			trans	-70.6	107.5	173.4	-68.5	-174.8	-4.3	0	0	109.4	K589 T593	K589-Q591 PolarHBondContact O-N 2.92Å; Q591-T593 PolarHBondContact O-N 3.34Å
592	F	31.4	Very low	32.1	Very low	197 Å²	197	139.5 Å²	139.5	86%	0.864	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-63.8	120.6	165.6	-84	-90.8	0	0	0	109.1	P590 H594	P590-F592 PolarHBondContact O-N 3.06Å; P590-F592 VanDerWaalsContact O-N 3.16Å; F592-H594 PolarHBondContact O-N 2.92Å
593	T	31.9	Very low	32.1	Very low	72 Å²	72	138 Å²	138	44%	0.442	71%	0.708	S	S	.	*	P	Polyproline II helix	trans	-65	124.4	-170.2	47.5	0	0	0	0	111.9	F205 Q591 I595	F205-T593 WeakPolarHBondContact CD2-OG1 3.37Å; F205-T593 WeakPolarHBondContact CE2-OG1 3.45Å; Q591-T593 PolarHBondContact O-N 3.34Å; T593-I595 PolarHBondContact O-N 2.91Å
594	H	36.7	Very low	32	Very low	158 Å²	158	137 Å²	137	73%	0.731	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-51.6	123.1	178.2	-165.1	-62.4	0	0	0	111.8	F592 R596	F592-H594 PolarHBondContact O-N 2.92Å; H594-R596 PolarHBondContact O-N 3.33Å; H594-R596 VanDerWaalsContact O-N 3.14Å
595	I	38	Very low	31.8	Very low	81 Å²	81	134.3 Å²	134.3	42%	0.415	70%	0.7	S	S	.	*	P	Polyproline II helix	trans	-60.8	116.3	165.6	-61.3	172.6	0	0	0	106.7	T593	T593-I595 PolarHBondContact O-N 2.91Å
596	R	36.2	Very low	31.7	Very low	190 Å²	190	136.8 Å²	136.8	72%	0.717	70%	0.699	S	S	*	*			trans	-94.9	106.3	173.8	-76.5	-171.9	174	-171.5	-1.5	108.6	H594 V598	H594-R596 PolarHBondContact O-N 3.33Å; H594-R596 VanDerWaalsContact O-N 3.14Å; R596-V598 PolarHBondContact O-N 3Å
597	T	36.6	Very low	31.9	Very low	71 Å²	71	134.3 Å²	134.3	44%	0.436	70%	0.696	S	S	.	*			trans	-60.9	127.1	158.7	48.9	0	0	0	0	107.8	D599	T597-D599 PolarHBondContact O-N 3.27Å; T597-D599 PolarHBondContact OG1-OD2 3.46Å
598	V	35.9	Very low	31.6	Very low	83 Å²	83	130.8 Å²	130.8	50%	0.503	69%	0.685	S	S	.	*			trans	-97.5	83.9	178	178.1	0	0	0	0	107.2	V206 R596 I600	V206-V598 HydrophobicContact CG1-CG2 3.97Å; R596-V598 PolarHBondContact O-N 3Å; V598-I600 VanDerWaalsContact C-N 3.32Å; V598-I600 HydrophobicContact CG1-CD1 3.46Å; V598-I600 VanDerWaalsContact CG1-CD1 3.46Å; V598-I600 HydrophobicContact CG1-CG1 3.7Å; V598-I600 PolarHBondContact O-N 3.31Å
599	D	30.8	Very low	31.9	Very low	147 Å²	147	133.4 Å²	133.4	79%	0.786	70%	0.697	S	S	*	*			trans	-75.9	81.9	178.2	-66.5	-59.5	0	0	0	110.4	T597	T597-D599 PolarHBondContact O-N 3.27Å; T597-D599 PolarHBondContact OG1-OD2 3.46Å
600	I	33.4	Very low	31.8	Very low	125 Å²	125	132.5 Å²	132.5	64%	0.641	70%	0.696	S	S	*	*			trans	-108.6	101.8	173.5	-64.2	174.3	0	0	0	109.7	V598	V598-I600 VanDerWaalsContact C-N 3.32Å; V598-I600 HydrophobicContact CG1-CD1 3.46Å; V598-I600 VanDerWaalsContact CG1-CD1 3.46Å; V598-I600 HydrophobicContact CG1-CG1 3.7Å; V598-I600 PolarHBondContact O-N 3.31Å
601	L	30.5	Very low	31.7	Very low	150 Å²	150	132.9 Å²	132.9	79%	0.785	70%	0.696	S	S	*	*				-176	80.4	129.1	-98.4	179	0	0	0	109.3	V603	L601-V603 PolarHBondContact O-N 3.37Å; L601-V603 VanDerWaalsContact O-N 3.11Å
602	N	26.4	Very low	31.8	Very low	156 Å²	156	131.5 Å²	131.5	83%	0.834	70%	0.695	S	S	*	*			trans	-81	84.7	175	-176.3	55.1	0	0	0	110.8	N604	N602-N604 PolarHBondContact O-N 3.18Å
603	V	30.9	Very low	31.5	Very low	121 Å²	121	129 Å²	129	73%	0.733	69%	0.689	S	S	*	*			trans	-78.1	108.2	177.2	-179.4	0	0	0	0	109.8	L601 P605	L601-V603 PolarHBondContact O-N 3.37Å; L601-V603 VanDerWaalsContact O-N 3.11Å; V603-P605 WeakPolarHBondContact O-CD 3.41Å
604	N	28.6	Very low	31.6	Very low	121 Å²	121	133.6 Å²	133.6	65%	0.647	71%	0.71	S	S	*	*			trans	-73	119.8	-172.7	-173.5	20.6	0	0	0	112.9	N602 Q606	N602-N604 PolarHBondContact O-N 3.18Å; N604-Q606 PolarHBondContact O-N 2.7Å
605	P	28.1	Very low	31.1	Very low	118 Å²	118	131.8 Å²	131.8	77%	0.766	71%	0.706	S	S	*	*			trans	-95.7	81.7	-172.9	36.3	-33.9	0	0	0	113.5	V603	V603-P605 WeakPolarHBondContact O-CD 3.41Å
606	Q	29.5	Very low	30.8	Very low	173 Å²	173	137 Å²	137	81%	0.808	73%	0.728	S	S	*	*			trans	-142.2	87.9	172.1	-72.1	-164.1	-4.3	0	0	114.9	N604	N604-Q606 PolarHBondContact O-N 2.7Å
607	S	32.3	Very low	30.4	Very low	125 Å²	125	135.8 Å²	135.8	87%	0.874	73%	0.73	S	S	*	*			trans	-171.7	133.4	143.6	55.3	0	0	0	0	110.4
608	S	27	Very low	29.9	Very low	91 Å²	91	138.1 Å²	138.1	64%	0.636	75%	0.746	S	S	*	*			trans	-95.8	147.7	-178.6	45.4	0	0	0	0	113.3
609	H	33.7	Very low	29.7	Very low	155 Å²	155	141.4 Å²	141.4	72%	0.718	76%	0.761	S	S	*	*				155.5	134.5	117.3	-80.5	-65.5	0	0	0	113.1
610	Q	30.8	Very low	29.4	Very low	172 Å²	172	139.9 Å²	139.9	80%	0.804	76%	0.762	S	S	*	*			trans	60.2	131.3	140.6	-74.5	178.2	-0.2	0	0	120
611	T	27.6	Very low	29.2	Very low	105 Å²	105	140.5 Å²	140.5	64%	0.644	77%	0.765	S	S	*	*			cis	-157.7	170.8	-6.4	-38.1	0	0	0	0	110.1
612	N	31.5	Very low	29.1	Very low	150 Å²	150	138.5 Å²	138.5	80%	0.802	76%	0.759	S	S	*	*			trans	104	122.7	158.6	-59.3	-29.7	0	0	0	116.6
613	L	25.9	Very low	29.3	Very low	144 Å²	144	137.9 Å²	137.9	75%	0.754	76%	0.756	S	S	*	*			trans	-97.9	143	-175	-62.2	69.2	0	0	0	109.8
614	I	32.4	Very low	29.4	Very low	169 Å²	169	139.3 Å²	139.3	87%	0.867	76%	0.76	S	S	*	*			trans	-130.9	130.2	135.6	-60.5	-175.8	0	0	0	106.5
615	N	26.5	Very low	29.4	Very low	121 Å²	121	143.5 Å²	143.5	65%	0.647	77%	0.772	S	S	*	*			trans	-73.7	156.4	-179.1	-57.3	-29.4	0	0	0	111
616	H	31.7	Very low	29.7	Very low	190 Å²	190	144 Å²	144	88%	0.88	78%	0.776	S	S	*	*				-162.3	157.5	125.8	-96.1	-57.1	0	0	0	111.1
617	E	28.6	Very low	29.5	Very low	164 Å²	164	141.2 Å²	141.2	77%	0.766	77%	0.774	S	S	*	*			trans	-91.3	159.8	-160.9	-81.1	171.4	85.8	0	0	115.5
618	P	26.4	Very low	29.4	Very low	120 Å²	120	143.3 Å²	143.3	78%	0.779	78%	0.775	S	S	*	*			trans	-77	131.9	168.5	32.8	-33.3	0	0	0	111.2
619	L	30.6	Very low	29.5	Very low	153 Å²	153	144 Å²	144	80%	0.801	78%	0.779	S	S	*	*			trans	-114.1	101.9	177.7	-72.4	178.6	0	0	0	113
620	S	25.5	Very low	29.3	Very low	115 Å²	115	142.7 Å²	142.7	80%	0.804	77%	0.774	S	S	*	*			trans	-81.2	120.1	158.8	-63.2	0	0	0	0	110.1
621	L	29	Very low	29.3	Very low	138 Å²	138	140.2 Å²	140.2	72%	0.723	77%	0.766	S	S	*	*			trans	-152	127.4	160.4	-90.2	125.1	0	0	0	106.3
622	T	28.9	Very low	29.4	Very low	107 Å²	107	142 Å²	142	66%	0.656	77%	0.765	S	S	*	*			cis	63.6	123.6	41.3	75.4	0	0	0	0	114.6
623	N	28.9	Very low	29.3	Very low	144 Å²	144	140.6 Å²	140.6	77%	0.77	76%	0.762	S	S	*	*			trans	63	116.2	171.9	-53.7	-17.2	0	0	0	117.7
624	D	33.9	Very low	29.5	Very low	151 Å²	151	140.9 Å²	140.9	81%	0.807	76%	0.764	S	S	*	*				-176.3	117.4	104.3	-96.9	-11.3	0	0	0	112.3
625	F	28.8	Very low	29.7	Very low	208 Å²	208	137.4 Å²	137.4	91%	0.912	75%	0.753	S	S	*	*			trans	-140.2	100.6	169.8	-111.5	-75	0	0	0	109	C627	F625-C627 PolarHBondContact O-N 3.02Å
626	P	35.1	Very low	29.9	Very low	129 Å²	129	138.8 Å²	138.8	84%	0.838	76%	0.76	S	S	*	*			trans	-74.2	115.7	178.5	-17.9	32.4	0	0	0	111.6
627	C	25	Very low	30.1	Very low	115 Å²	115	137.5 Å²	137.5	78%	0.777	76%	0.759	S	S	*	*			trans	-103.3	134.2	168.4	-171.4	0	0	0	0	109.8	F625	F625-C627 PolarHBondContact O-N 3.02Å
628	L	30.1	Very low	30.3	Very low	169 Å²	169	135.2 Å²	135.2	89%	0.885	75%	0.753	S	S	*	*			trans	-145.5	110.3	168.2	-80.4	-176.6	0	0	0	112.4
629	S	28.9	Very low	30.7	Very low	105 Å²	105	138 Å²	138	73%	0.734	75%	0.752	S	S	*	*			trans	-69.3	176	147.3	44.6	0	0	0	0	110.9
630	E	29.7	Very low	30.6	Very low	127 Å²	127	137.7 Å²	137.7	59%	0.593	75%	0.75	S	S	*	*			cis	-132.5	-142.7	-7.8	-142	-147	-57.9	0	0	107.9	K632	E630-K632 VanDerWaalsContact CD-NZ 3.27Å; E630-K632 IonicContact OE1-NZ 2.62Å; E630-K632 PolarHBondContact OE1-NZ 3.26Å; E630-K632 VanDerWaalsContact OE1-NZ 3.08Å; E630-K632 WeakPolarHBondContact OE2-CE 3.49Å; E630-K632 IonicContact OE2-NZ 2.66Å; E630-K632 PolarHBondContact OE2-NZ 3.35Å
631	N	29.4	Very low	31	Very low	120 Å²	120	138.2 Å²	138.2	64%	0.642	75%	0.751	S	S	*	*			cis	-151.1	-174.7	6.5	-144.3	-64.7	0	0	0	111.8
632	K	29.9	Very low	30.9	Very low	143 Å²	143	140.9 Å²	140.9	62%	0.622	76%	0.757	S	S	*	*			trans	-74.2	174.5	175.4	-54.7	150.9	-172.2	102.5	0	110.9	E630	E630-K632 VanDerWaalsContact CD-NZ 3.27Å; E630-K632 IonicContact OE1-NZ 2.62Å; E630-K632 PolarHBondContact OE1-NZ 3.26Å; E630-K632 VanDerWaalsContact OE1-NZ 3.08Å; E630-K632 WeakPolarHBondContact OE2-CE 3.49Å; E630-K632 IonicContact OE2-NZ 2.66Å; E630-K632 PolarHBondContact OE2-NZ 3.35Å
633	T	30.9	Very low	31	Very low	121 Å²	121	145.5 Å²	145.5	74%	0.742	77%	0.768	S	S	*	*			cis	-159.1	142.1	38.5	45	0	0	0	0	114.7
634	N	29.6	Very low	30.9	Very low	149 Å²	149	146.4 Å²	146.4	80%	0.797	77%	0.771	S	S	*	*				23	160.8	123.3	-67.6	21.9	0	0	0	122.4
635	P	36.9	Very low	31	Very low	97 Å²	97	148.9 Å²	148.9	63%	0.63	78%	0.778	S	S	*	*			cis	-141.6	-163.5	-23.9	38.4	-17.2	0	0	0	114.5
636	D	30.6	Very low	30.9	Very low	149 Å²	149	145.4 Å²	145.4	80%	0.797	77%	0.769	S	S	*	*			trans	56.9	122	154	-52.7	-26.6	0	0	0	121.6
637	D	35.6	Very low	30.8	Very low	163 Å²	163	150.9 Å²	150.9	87%	0.872	77%	0.773	S	S	*	*				-172.9	169.6	93.5	-142.9	-20	0	0	0	113.1
638	D	32.5	Very low	31	Very low	117 Å²	117	152.4 Å²	152.4	63%	0.626	77%	0.769	S	S	*	*			trans	-100.2	136	-153.4	-164.9	20.9	0	0	0	115.7
639	K	35.3	Very low	31.1	Very low	177 Å²	177	150.8 Å²	150.8	77%	0.77	77%	0.766	S	S	*	*				170.7	144.8	126.4	-90.8	151.6	-162.3	109.2	0	118.6
640	I	28.1	Very low	31.1	Very low	147 Å²	147	154.3 Å²	154.3	75%	0.754	77%	0.768	S	S	*	*			trans	-113.1	139.7	172.2	-73.5	165.2	0	0	0	109.3
641	P	33.7	Very low	31.2	Very low	127 Å²	127	157.3 Å²	157.3	83%	0.825	78%	0.779	S	S	*	*				-146.4	166.8	120.7	33.8	-15.7	0	0	0	116.4
642	K	27.8	Very low	31.3	Very low	193 Å²	193	160.8 Å²	160.8	84%	0.839	79%	0.789	S	S	*	*			trans	-93.9	141.6	-169.1	-57.5	161.8	176.9	168.7	0	113.8
643	K	31.1	Very low	31.2	Very low	205 Å²	205	160.4 Å²	160.4	89%	0.891	79%	0.792	S	S	*	*			trans	-159.9	112.9	148.6	-105.8	172.6	-179.8	175.2	0	106.6
644	L	27.3	Very low	31.3	Very low	162 Å²	162	162.5 Å²	162.5	85%	0.848	80%	0.797	S	S	*	*				63.3	88	50.5	-160.3	91.8	0	0	0	113.4
645	Q	34.4	Very low	31.2	Very low	204 Å²	204	162 Å²	162	95%	0.953	79%	0.794	S	S	*	*			trans	-154.2	152.8	140.4	-117.5	173.1	14.8	0	0	112.6
646	N	26.8	Very low	30.9	Very low	134 Å²	134	164 Å²	164	72%	0.717	81%	0.805	S	S	*	*			trans	-103.9	151.4	-163.5	-163.9	-6.2	0	0	0	110.7
647	R	33.2	Very low	30.8	Very low	244 Å²	244	162.8 Å²	162.8	92%	0.921	80%	0.803	S	S	*	*			trans	-150.5	100.2	165.3	-141	173.2	-174.1	-176.4	0.7	113
648	Q	28.7	Very low	30.6	Very low	148 Å²	148	162 Å²	162	69%	0.692	80%	0.804	S	S	*	*			trans	-113.6	131.6	172	-67.2	-176.5	-2.4	0	0	111.4
649	T	33.8	Very low	30.7	Very low	135 Å²	135	164.9 Å²	164.9	83%	0.828	81%	0.813	S	S	*	*			trans	-157.2	111.3	164.2	42.4	0	0	0	0	107.6
650	K	28.1	Very low	30.3	Very low	179 Å²	179	164.4 Å²	164.4	78%	0.778	81%	0.814	S	S	*	*			cis	93.1	135.2	17.7	-155.6	174.2	-173.6	172.7	0	114.9
651	K	32.5	Very low	30.5	Very low	190 Å²	190	162.3 Å²	162.3	83%	0.826	81%	0.81	S	S	*	*			trans	85.2	145.7	-172.3	-58.1	173.9	179.3	178	0	113.3
652	K	31.7	Very low	30.2	Very low	192 Å²	192	163.7 Å²	163.7	84%	0.835	81%	0.805	S	S	*	*			cis	-137	133.6	5.1	-116.2	172.3	174.3	-174.5	0	106.5
653	I	27.8	Very low	30.4	Very low	135 Å²	135	164 Å²	164	69%	0.692	81%	0.809	S	S	*	*				58.4	112.5	60.7	-55	175.9	0	0	0	114.2
654	I	32.4	Very low	30.2	Very low	165 Å²	165	162.2 Å²	162.2	85%	0.846	80%	0.804	S	S	*	*			trans	-159.2	132.5	136.7	-94.5	152.1	0	0	0	106.8
655	D	26.7	Very low	30.3	Very low	139 Å²	139	161.8 Å²	161.8	74%	0.743	80%	0.801	S	S	*	*			trans	-104.6	154.2	175.6	-58	-82	0	0	0	110.9
656	T	31	Very low	30	Very low	138 Å²	138	157.2 Å²	157.2	85%	0.847	79%	0.792	S	S	*	*			trans	-151.3	132.8	148.2	-59.5	0	0	0	0	109.7
657	T	27.6	Very low	29.9	Very low	125 Å²	125	156.8 Å²	156.8	77%	0.767	79%	0.794	S	S	*	*			trans	-110.7	147	-179.7	43.7	0	0	0	0	112.5
658	V	32.5	Very low	29.7	Very low	145 Å²	145	153.5 Å²	153.5	88%	0.879	79%	0.789	S	S	*	*			trans	-144.2	153.4	155.1	-174.3	0	0	0	0	109.1
659	H	33.5	Very low	29.5	Very low	179 Å²	179	152.1 Å²	152.1	83%	0.829	79%	0.791	S	S	*	*			trans	-81.2	160	-158.8	-83.8	-109.9	0	0	0	119
660	Q	27.7	Very low	29.4	Very low	167 Å²	167	152.1 Å²	152.1	78%	0.78	79%	0.791	S	S	*	*			trans	-53.7	-179.4	149.7	-84.9	176.8	-14.4	0	0	113.8
661	P	32.2	Very low	29.4	Very low	103 Å²	103	149.4 Å²	149.4	67%	0.669	79%	0.794	S	S	*	*			cis	-141.2	164.7	20.8	42.4	-22.8	0	0	0	120.2
662	E	27.7	Very low	29.4	Very low	155 Å²	155	145.4 Å²	145.4	72%	0.724	79%	0.791	S	S	*	*			trans	21.3	130.6	138.8	-54.3	172.4	107.3	0	0	121.7
663	Q	31.2	Very low	29.5	Very low	199 Å²	199	142.5 Å²	142.5	93%	0.93	79%	0.789	S	S	*	*				-148	165.8	117.4	-112.6	170.3	29.4	0	0	111.1
664	Q	27.5	Very low	30	Very low	169 Å²	169	141 Å²	141	79%	0.79	79%	0.786	S	S	*	*			trans	-102.7	-175.9	-160.9	-61.3	172.3	-8.6	0	0	113.2
665	I	30	Very low	30	Very low	153 Å²	153	140 Å²	140	79%	0.785	78%	0.782	S	S	*	*			trans	116.8	104.3	153.7	-60.7	165.6	0	0	0	115.7
666	S	28.1	Very low	30.7	Very low	108 Å²	108	139.8 Å²	139.8	76%	0.755	78%	0.781	S	S	*	*			trans	43.6	128.7	136.4	-49.7	0	0	0	0	122.3
667	T	23.9	Very low	31.4	Very low	125 Å²	125	140 Å²	140	77%	0.767	78%	0.782	S	S	*	*			trans	-54.9	142.9	159.8	50.6	0	0	0	0	113.5
668	H	28.8	Very low	32.2	Very low	174 Å²	174	137.3 Å²	137.3	81%	0.806	76%	0.763	S	S	*	*			trans	-167.5	142.8	133.5	-95.4	-62	0	0	0	112.8
669	T	25.7	Very low	33.5	Very low	120 Å²	120	136.6 Å²	136.6	74%	0.736	75%	0.748	S	S	*	*			trans	67.5	152.5	150.7	39.7	0	0	0	0	124
670	T	31.3	Very low	34.6	Very low	134 Å²	134	133 Å²	133	82%	0.822	74%	0.74	S	S	*	*			trans	75.4	126.4	152.8	40.7	0	0	0	0	120.8
671	S	27.3	Very low	36.1	Very low	122 Å²	122	130.9 Å²	130.9	85%	0.853	73%	0.73	S	S	*	*			trans	-70.9	148.5	164	43.4	0	0	0	0	111.6
672	S	33.6	Very low	37.4	Very low	107 Å²	107	127.1 Å²	127.1	75%	0.748	70%	0.704	S	S	*	*			trans	-136.6	135.1	161.7	52.5	0	0	0	0	109.6
673	V	33.5	Very low	39	Very low	131 Å²	131	123.3 Å²	123.3	79%	0.794	69%	0.689	S	S	*	*			trans	-86.3	111.8	-178.6	176.6	0	0	0	0	108.8	N675	V673-N675 PolarHBondContact O-N 2.97Å
674	V	37.3	Very low	40.5	Very low	104 Å²	104	115.8 Å²	115.8	63%	0.63	66%	0.659	S	S	*	*			trans	-95.3	94.7	177.2	-174.4	0	0	0	0	109.8	N676	V674-N676 VanDerWaalsContact C-N 3.29Å; V674-N676 PolarHBondContact O-N 3.35Å
675	N	32.4	Very low	41.9	Very low	144 Å²	144	109.5 Å²	109.5	77%	0.77	63%	0.63	S	S	*	*			trans	-71.6	79.9	172.6	-78.3	-20.8	0	0	0	111	V673 T677	V673-N675 PolarHBondContact O-N 2.97Å; N675-T677 PolarHBondContact O-N 2.73Å
676	N	41.8	Very low	43.5	Very low	133 Å²	133	103.8 Å²	103.8	71%	0.711	60%	0.601	S	S	*	*			trans	-82.8	108.5	172.5	-82.3	-22.7	0	0	0	111	V674 L678	V674-N676 VanDerWaalsContact C-N 3.29Å; V674-N676 PolarHBondContact O-N 3.35Å; N676-L678 PolarHBondContact O-N 2.95Å
677	T	46.3	Very low	45.1	Very low	142 Å²	142	105.4 Å²	105.4	87%	0.871	60%	0.596	S	S	*	*			trans	-65.6	103.6	176.5	-40.9	0	0	0	0	110.7	N675	N675-T677 PolarHBondContact O-N 2.73Å
678	L	44.6	Very low	46.8	Very low	70 Å²	70	101.8 Å²	101.8	37%	0.366	57%	0.572	S	S	.	*			trans	-60.8	139.1	178.2	-75.4	160.5	0	0	0	111.4	N676 I682 N683 I686	N676-L678 PolarHBondContact O-N 2.95Å; L678-I682 HydrophobicContact CD2-CD1 4.04Å; L678-I682 HydrophobicContact CD2-CG2 4.2Å; L678-N683 PolarHBondContact O-ND2 3.21Å; L678-I686 HydrophobicContact CD1-CD1 4.1Å
679	K	59.1	Low	48.3	Very low	129 Å²	129	93.8 Å²	93.8	56%	0.561	54%	0.535	S	S	*	.			trans	-56	146.7	177.8	-68.4	-176.8	174.8	-174.2	0	111.1	E681 I682 N683	K679-E681 WeakPolarHBondContact CD-OE2 3.33Å; K679-E681 PolarHBondContact O-N 2.78Å; K679-E681 VanDerWaalsContact O-N 3.17Å; K679-I682 HydrophobicContact CB-CD1 3.95Å; K679-I682 HydrophobicContact CB-CG1 4.11Å; K679-I682 HydrophobicContact CG-CD1 4.37Å; K679-I682 WeakPolarHBondContact O-CB 3.32Å; K679-I682 PolarHBondContact O-N 2.82Å; K679-N683 PolarHBondContact O-N 3.27Å; K679-N683 VanDerWaalsContact O-N 3.1Å
680	P	57.1	Low	49.8	Very low	104 Å²	104	94.8 Å²	94.8	68%	0.675	53%	0.529	S	S	*	.	H	α-helix	trans	-59.6	-30.9	179.8	24.2	-34.3	0	0	0	113	I682 N683 S684	P680-I682 VanDerWaalsContact C-N 3.29Å; P680-I682 PolarHBondContact O-N 3.26Å; P680-N683 PolarHBondContact O-N 2.91Å; P680-S684 WeakPolarHBondContact O-CB 3.35Å; P680-S684 PolarHBondContact O-N 3.49Å
681	E	58.9	Low	50.8	Low	123 Å²	123	91.9 Å²	91.9	58%	0.575	52%	0.519	S	S	*	.	H	α-helix	trans	-56.5	-42.2	172.6	-60	165.9	142.5	0	0	112.2	K679 L685	K679-E681 WeakPolarHBondContact CD-OE2 3.33Å; K679-E681 PolarHBondContact O-N 2.78Å; K679-E681 VanDerWaalsContact O-N 3.17Å; E681-L685 PolarHBondContact O-N 3.22Å; E681-L685 VanDerWaalsContact O-N 3.08Å
682	I	60.3	Low	52.1	Low	23 Å²	23	88.7 Å²	88.7	12%	0.118	49%	0.492	C	S	.	.	H	α-helix	trans	-76.2	-40.6	-179.4	-51.5	167.4	0	0	0	109.7	L678 K679 P680 S684 L685 I686 D818	L678-I682 HydrophobicContact CD2-CD1 4.04Å; L678-I682 HydrophobicContact CD2-CG2 4.2Å; K679-I682 HydrophobicContact CB-CD1 3.95Å; K679-I682 HydrophobicContact CB-CG1 4.11Å; K679-I682 HydrophobicContact CG-CD1 4.37Å; K679-I682 WeakPolarHBondContact O-CB 3.32Å; K679-I682 PolarHBondContact O-N 2.82Å; P680-I682 VanDerWaalsContact C-N 3.29Å; P680-I682 PolarHBondContact O-N 3.26Å; I682-S684 VanDerWaalsContact C-N 3.32Å; I682-S684 PolarHBondContact O-N 2.99Å; I682-L685 CarbonylContact O-C 3.2Å; I682-L685 WeakPolarHBondContact O-CA 3.41Å; I682-L685 WeakPolarHBondContact O-CB 3.46Å; I682-L685 PolarHBondContact O-N 2.91Å; I682-L685 VanDerWaalsContact O-N 3.08Å; I682-I686 HydrophobicContact CG2-CD1 3.99Å; I682-I686 HydrophobicContact CG2-CG1 4.37Å; I682-I686 VanDerWaalsContact O-CG1 3.27Å; I682-I686 WeakPolarHBondContact O-CG1 3.47Å; I682-I686 PolarHBondContact O-N 3.29Å; I682-D818 HydrophobicContact CD1-CB 4.1Å; I682-D818 HydrophobicContact CG2-CB 4.38Å
683	N	60.7	Low	52.9	Low	75 Å²	75	92.6 Å²	92.6	40%	0.401	50%	0.498	S	S	.	.	H	α-helix	trans	-62.1	-39.3	174.3	-71.6	-26.6	0	0	0	112.3	L678 K679 P680 L685 I686 Q687	L678-N683 PolarHBondContact O-ND2 3.21Å; K679-N683 PolarHBondContact O-N 3.27Å; K679-N683 VanDerWaalsContact O-N 3.1Å; P680-N683 PolarHBondContact O-N 2.91Å; N683-L685 VanDerWaalsContact C-N 3.34Å; N683-I686 PolarHBondContact O-N 2.99Å; N683-Q687 PolarHBondContact O-N 3.12Å
684	S	62.8	Low	53.8	Low	42 Å²	42	88.3 Å²	88.3	29%	0.294	47%	0.469	S	S	.	.	H	α-helix	trans	-60.6	-41.5	170.4	167.1	0	0	0	0	111.9	P680 I682 Q687 I688 K707	P680-S684 WeakPolarHBondContact O-CB 3.35Å; P680-S684 PolarHBondContact O-N 3.49Å; I682-S684 VanDerWaalsContact C-N 3.32Å; I682-S684 PolarHBondContact O-N 2.99Å; S684-Q687 PolarHBondContact O-N 2.96Å; S684-I688 WeakPolarHBondContact O-CG1 3.38Å; S684-I688 PolarHBondContact O-N 3.22Å; S684-I688 VanDerWaalsContact O-N 3.08Å; S684-K707 PolarHBondContact OG-NZ 2.73Å
685	L	56.7	Low	54.8	Low	37 Å²	37	87.9 Å²	87.9	19%	0.194	46%	0.463	C	S	.	.	H	α-helix	trans	-69.2	-35.7	175.1	-98	163.4	0	0	0	113.1	E681 I682 N683 Q687 I688 I689 M819	E681-L685 PolarHBondContact O-N 3.22Å; E681-L685 VanDerWaalsContact O-N 3.08Å; I682-L685 CarbonylContact O-C 3.2Å; I682-L685 WeakPolarHBondContact O-CA 3.41Å; I682-L685 WeakPolarHBondContact O-CB 3.46Å; I682-L685 PolarHBondContact O-N 2.91Å; I682-L685 VanDerWaalsContact O-N 3.08Å; N683-L685 VanDerWaalsContact C-N 3.34Å; L685-Q687 VanDerWaalsContact C-N 3.32Å; L685-I688 PolarHBondContact O-N 2.9Å; L685-I689 VanDerWaalsContact O-CB 3.31Å; L685-I689 WeakPolarHBondContact O-CB 3.48Å; L685-I689 WeakPolarHBondContact O-CD1 3.39Å; L685-I689 VanDerWaalsContact O-CG1 3.26Å; L685-I689 WeakPolarHBondContact O-CG1 3.48Å; L685-I689 PolarHBondContact O-N 3Å; L685-M819 HydrophobicContact CD1-CE 3.87Å; L685-M819 HydrophobicContact CD2-CE 3.62Å; L685-M819 HydrophobicContact CG-CE 4.28Å
686	I	63.5	Low	56.1	Low	33 Å²	33	87.8 Å²	87.8	17%	0.169	46%	0.462	C	S	.	.	H	α-helix	trans	-63.3	-38.6	172.8	-70.3	163.7	0	0	0	110.6	L678 I682 N683 I689 K690 A822	L678-I686 HydrophobicContact CD1-CD1 4.1Å; I682-I686 HydrophobicContact CG2-CD1 3.99Å; I682-I686 HydrophobicContact CG2-CG1 4.37Å; I682-I686 VanDerWaalsContact O-CG1 3.27Å; I682-I686 WeakPolarHBondContact O-CG1 3.47Å; I682-I686 PolarHBondContact O-N 3.29Å; N683-I686 PolarHBondContact O-N 2.99Å; I686-I689 PolarHBondContact O-N 3Å; I686-K690 HydrophobicContact CG2-CD 4.3Å; I686-K690 WeakPolarHBondContact O-CB 3.45Å; I686-K690 WeakPolarHBondContact O-CG 3.2Å; I686-K690 PolarHBondContact O-N 3.33Å; I686-A822 HydrophobicContact CD1-CB 4.2Å; I686-A822 HydrophobicContact CG1-CB 3.67Å
687	Q	60.7	Low	57.3	Low	141 Å²	141	84.3 Å²	84.3	66%	0.659	44%	0.444	S	S	*	.	H	α-helix	trans	-66.1	-42.8	173.9	-76.1	178	-28.5	0	0	112.1	N683 S684 L685 K690 A691	N683-Q687 PolarHBondContact O-N 3.12Å; S684-Q687 PolarHBondContact O-N 2.96Å; L685-Q687 VanDerWaalsContact C-N 3.32Å; Q687-K690 PolarHBondContact O-N 3Å; Q687-A691 WeakPolarHBondContact O-CB 3.08Å; Q687-A691 PolarHBondContact O-N 3.44Å
688	I	61.6	Low	58.6	Low	49 Å²	49	79.1 Å²	79.1	25%	0.251	41%	0.41	S	S	.	.	H	α-helix	trans	-60.9	-45.5	173.7	-68.1	163.3	0	0	0	110.5	S684 L685 K690 A691 I692 K707	S684-I688 WeakPolarHBondContact O-CG1 3.38Å; S684-I688 PolarHBondContact O-N 3.22Å; S684-I688 VanDerWaalsContact O-N 3.08Å; L685-I688 PolarHBondContact O-N 2.9Å; I688-K690 VanDerWaalsContact C-N 3.3Å; I688-K690 PolarHBondContact O-N 3.23Å; I688-A691 PolarHBondContact O-N 3.42Å; I688-A691 VanDerWaalsContact O-N 3.12Å; I688-I692 HydrophobicContact CG2-CD1 3.64Å; I688-I692 HydrophobicContact CG2-CG1 4.41Å; I688-I692 WeakPolarHBondContact O-CG1 3.44Å; I688-I692 PolarHBondContact O-N 3.23Å; I688-K707 HydrophobicContact CD1-CG 4.38Å
689	I	59.4	Low	60.4	Low	7 Å²	7	77 Å²	77	4%	0.036	40%	0.399	C	S	.	.	H	α-helix	trans	-59.6	-36.5	175	-77.7	165.5	0	0	0	112	L685 I686 F694 L823	L685-I689 VanDerWaalsContact O-CB 3.31Å; L685-I689 WeakPolarHBondContact O-CB 3.48Å; L685-I689 WeakPolarHBondContact O-CD1 3.39Å; L685-I689 VanDerWaalsContact O-CG1 3.26Å; L685-I689 WeakPolarHBondContact O-CG1 3.48Å; L685-I689 PolarHBondContact O-N 3Å; I686-I689 PolarHBondContact O-N 3Å; I689-F694 HydrophobicContact CB-CE2 4.31Å; I689-F694 HydrophobicContact CG1-CE2 4.43Å; I689-F694 HydrophobicContact CG1-CZ 4.28Å; I689-F694 HydrophobicContact CG2-CE2 3.95Å; I689-F694 HydrophobicContact CG2-CZ 4.49Å; I689-F694 WeakPolarHBondContact O-CE2 3.46Å; I689-L823 HydrophobicContact CB-CD2 4.45Å; I689-L823 HydrophobicContact CD1-CD2 4.1Å; I689-L823 HydrophobicContact CD1-CG 4.31Å; I689-L823 HydrophobicContact CG1-CD2 4.17Å; I689-L823 HydrophobicContact CG2-CD2 3.46Å; I689-L823 VanDerWaalsContact CG2-CD2 3.46Å; I689-L823 HydrophobicContact CG2-CG 4.41Å
690	K	56.7	Low	61.4	Low	141 Å²	141	71.6 Å²	71.6	61%	0.613	38%	0.376	S	S	*	.	H	α-helix	trans	-78.4	-19.4	175.9	-75.1	-179.1	176.5	-169.8	0	114.2	I686 Q687 I688	I686-K690 HydrophobicContact CG2-CD 4.3Å; I686-K690 WeakPolarHBondContact O-CB 3.45Å; I686-K690 WeakPolarHBondContact O-CG 3.2Å; I686-K690 PolarHBondContact O-N 3.33Å; Q687-K690 PolarHBondContact O-N 3Å; I688-K690 VanDerWaalsContact C-N 3.3Å; I688-K690 PolarHBondContact O-N 3.23Å
691	A	53.7	Low	62.6	Low	73 Å²	73	66.9 Å²	66.9	60%	0.603	35%	0.345	S	S	*	.	H	α-helix	trans	-89.4	-27.4	178	0	0	0	0	0	112.8	Q687 I688	Q687-A691 WeakPolarHBondContact O-CB 3.08Å; Q687-A691 PolarHBondContact O-N 3.44Å; I688-A691 PolarHBondContact O-N 3.42Å; I688-A691 VanDerWaalsContact O-N 3.12Å
692	I	54.5	Low	63.8	Low	55 Å²	55	61.2 Å²	61.2	28%	0.282	32%	0.319	S	S	.	.	S	Bend	trans	-84.3	118	176	-62.8	167.5	0	0	0	109.2	I688 F694 M698 L703	I688-I692 HydrophobicContact CG2-CD1 3.64Å; I688-I692 HydrophobicContact CG2-CG1 4.41Å; I688-I692 WeakPolarHBondContact O-CG1 3.44Å; I688-I692 PolarHBondContact O-N 3.23Å; I692-F694 HydrophobicContact CB-CE2 4.49Å; I692-F694 WeakPolarHBondContact O-CD2 3.4Å; I692-F694 PolarHBondContact O-N 2.74Å; I692-F694 VanDerWaalsContact O-N 3.14Å; I692-M698 HydrophobicContact CG2-CE 3.69Å; I692-M698 HydrophobicContact CG2-SD 4.07Å; I692-L703 HydrophobicContact CD1-CD2 4.37Å
693	Q	50.4	Low	64.7	Low	188 Å²	188	60.5 Å²	60.5	88%	0.879	32%	0.316	S	S	*	.			trans	-63.2	113.8	163.2	-81	-176.4	-34.1	0	0	109.1	N695	Q693-N695 PolarHBondContact O-N 3.21Å
694	F	51.9	Low	65.6	Low	42 Å²	42	59.8 Å²	59.8	18%	0.184	31%	0.311	C	S	.	.			trans	-73.7	117.6	176.4	-84.2	-86.3	0	0	0	111	I689 I692 M698 L703 L823 H828 F830	I689-F694 HydrophobicContact CB-CE2 4.31Å; I689-F694 HydrophobicContact CG1-CE2 4.43Å; I689-F694 HydrophobicContact CG1-CZ 4.28Å; I689-F694 HydrophobicContact CG2-CE2 3.95Å; I689-F694 HydrophobicContact CG2-CZ 4.49Å; I689-F694 WeakPolarHBondContact O-CE2 3.46Å; I692-F694 HydrophobicContact CB-CE2 4.49Å; I692-F694 WeakPolarHBondContact O-CD2 3.4Å; I692-F694 PolarHBondContact O-N 2.74Å; I692-F694 VanDerWaalsContact O-N 3.14Å; F694-M698 HydrophobicContact CD1-CE 3.34Å; F694-M698 HydrophobicContact CE1-CE 3.3Å; F694-M698 HydrophobicContact CG-CE 4.14Å; F694-M698 HydrophobicContact CZ-CE 4.07Å; F694-L703 HydrophobicContact CE1-CD1 3.64Å; F694-L703 HydrophobicContact CE1-CD2 3.63Å; F694-L703 HydrophobicContact CE1-CG 4.21Å; F694-L703 HydrophobicContact CZ-CD1 3.93Å; F694-L703 HydrophobicContact CZ-CD2 3.56Å; F694-L703 HydrophobicContact CZ-CG 4.39Å; F694-L823 HydrophobicContact CE1-CD2 4.4Å; F694-L823 HydrophobicContact CE2-CD2 3.99Å; F694-L823 HydrophobicContact CZ-CD2 3.82Å; F694-H828 AromaticContact CD2-CD2 3.48Å; F694-H828 VanDerWaalsContact CD2-CD2 3.48Å; F694-H828 WeakPolarHBondContact CD2-CD2 3.28Å; F694-H828 AromaticContact CD2-NE2 3.87Å; F694-H828 AromaticContact CG-CD2 3.74Å; F694-F830 HydrophobicContact CD1-CE1 4.08Å; F694-F830 AromaticContact CD1-CZ 3.5Å; F694-F830 HydrophobicContact CD1-CZ 3.5Å; F694-F830 VanDerWaalsContact CD1-CZ 3.5Å; F694-F830 HydrophobicContact CE1-CE1 4.09Å; F694-F830 AromaticContact CE1-CZ 3.51Å; F694-F830 HydrophobicContact CE1-CZ 3.51Å; F694-F830 HydrophobicContact CG-CZ 4.3Å; F694-F830 HydrophobicContact CZ-CZ 4.31Å
695	N	57.4	Low	66.6	Low	94 Å²	94	60 Å²	60	50%	0.503	31%	0.306	S	S	.	.			trans	-109.3	139.9	169.6	-169.4	-16.1	0	0	0	108	Q693 N697 M698	Q693-N695 PolarHBondContact O-N 3.21Å; N695-N697 PolarHBondContact O-N 2.81Å; N695-M698 PolarHBondContact O-N 3.35Å
696	D	59.4	Low	67.8	Low	142 Å²	142	60.6 Å²	60.6	76%	0.759	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-17.3	-178.5	-79.9	-23.9	0	0	0	113.1	M698	D696-M698 VanDerWaalsContact C-N 3.35Å
697	N	68.3	Low	68.5	Low	61 Å²	61	64.4 Å²	64.4	33%	0.326	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-1.9	177.5	-63.4	-13	0	0	0	114.6	N695 Q754 I755 N756	N695-N697 PolarHBondContact O-N 2.81Å; N697-Q754 PolarHBondContact ND2-O 2.86Å; N697-I755 CarbonylContact O-C 3.45Å; N697-N756 WeakPolarHBondContact O-CA 3.5Å; N697-N756 WeakPolarHBondContact O-CB 3.18Å; N697-N756 PolarHBondContact O-N 3.45Å
698	M	73.7	Confident	69.6	Low	33 Å²	33	59.7 Å²	59.7	16%	0.163	31%	0.314	C	S	.	.			trans	-90.6	120.2	-177.8	-176.3	172.1	51.6	0	0	113.2	I692 F694 N695 D696 C702 L703	I692-M698 HydrophobicContact CG2-CE 3.69Å; I692-M698 HydrophobicContact CG2-SD 4.07Å; F694-M698 HydrophobicContact CD1-CE 3.34Å; F694-M698 HydrophobicContact CE1-CE 3.3Å; F694-M698 HydrophobicContact CG-CE 4.14Å; F694-M698 HydrophobicContact CZ-CE 4.07Å; N695-M698 PolarHBondContact O-N 3.35Å; D696-M698 VanDerWaalsContact C-N 3.35Å; M698-C702 HydrophobicContact CG-CB 4.15Å; M698-C702 HydrophobicContact SD-CB 4.46Å; M698-L703 HydrophobicContact CE-CD2 3.79Å; M698-L703 HydrophobicContact SD-CD2 4.18Å
699	D	80.9	Confident	70.7	Confident	24 Å²	24	65.3 Å²	65.3	13%	0.128	34%	0.339	C	S	.	.			trans	-65.5	137.2	175.1	-67.9	-61.3	0	0	0	112.8	E701 C702 Y750 A757 A802	D699-E701 PolarHBondContact O-N 3.4Å; D699-C702 WeakPolarHBondContact O-CB 3.34Å; D699-C702 PolarHBondContact O-N 3.24Å; D699-Y750 PolarHBondContact OD2-OH 3.27Å; D699-A757 PolarHBondContact OD1-N 2.93Å; D699-A757 WeakPolarHBondContact OD2-CB 3.41Å; D699-A757 PolarHBondContact OD2-N 2.88Å; D699-A802 HydrophobicContact CB-CB 3.47Å; D699-A802 VanDerWaalsContact CB-CB 3.47Å; D699-A802 VanDerWaalsContact CG-CB 3.47Å; D699-A802 WeakPolarHBondContact OD2-CB 3.4Å
700	I	80.1	Confident	72.1	Confident	17 Å²	17	65.6 Å²	65.6	9%	0.087	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.6	-176.2	-55.5	177.3	0	0	0	112.7	C702 L703 L704 S812 P813 I815	I700-C702 PolarHBondContact O-N 3.17Å; I700-L703 HydrophobicContact CG2-CD1 4.31Å; I700-L703 WeakPolarHBondContact O-CB 3.4Å; I700-L703 PolarHBondContact O-N 2.91Å; I700-L704 HydrophobicContact CG2-CD1 4.12Å; I700-L704 HydrophobicContact CG2-CG 4.41Å; I700-L704 PolarHBondContact O-N 3.08Å; I700-S812 VanDerWaalsContact CD1-OG 3.25Å; I700-S812 WeakPolarHBondContact CD1-OG 3.46Å; I700-S812 WeakPolarHBondContact CG1-OG 3.45Å; I700-P813 HydrophobicContact CB-CG 3.73Å; I700-P813 HydrophobicContact CG2-CG 3.71Å; I700-I815 HydrophobicContact CD1-CD1 4.05Å; I700-I815 HydrophobicContact CD1-CG1 3.85Å; I700-I815 HydrophobicContact CG2-CG1 3.96Å
701	E	83.8	Confident	73.6	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.019	32%	0.324	C	S	.	.	H	α-helix	trans	-61.6	-28.8	172.4	-64	-69.7	-105.5	0	0	111.8	D699 L703 L704 Y705 G798 R801 A802 R805	D699-E701 PolarHBondContact O-N 3.4Å; E701-L703 PolarHBondContact O-N 3.21Å; E701-L704 PolarHBondContact O-N 2.82Å; E701-L704 WeakPolarHBondContact OE2-CD1 3.46Å; E701-Y705 HydrophobicContact CB-CD2 4.19Å; E701-Y705 WeakPolarHBondContact O-CD2 3.37Å; E701-Y705 PolarHBondContact O-N 3.25Å; E701-Y705 WeakPolarHBondContact OE1-CE2 3.4Å; E701-G798 WeakPolarHBondContact CB-O 3.41Å; E701-G798 WeakPolarHBondContact O-CA 3.25Å; E701-R801 HydrophobicContact CB-CB 3.76Å; E701-R801 HydrophobicContact CG-CB 3.74Å; E701-R801 WeakPolarHBondContact OE1-CB 3.06Å; E701-R801 WeakPolarHBondContact OE1-CD 3.06Å; E701-A802 HydrophobicContact CB-CB 4.3Å; E701-A802 HydrophobicContact CG-CB 4.49Å; E701-R805 VanDerWaalsContact CG-NH1 3.35Å; E701-R805 IonicContact OE1-CZ 3.12Å; E701-R805 IonicContact OE1-NH1 3.77Å; E701-R805 PolarHBondContact OE1-NH1 2.97Å; E701-R805 IonicContact OE1-NH2 2.67Å; E701-R805 PolarHBondContact OE1-NH2 3.49Å; E701-R805 IonicContact OE2-CZ 2.75Å; E701-R805 VanDerWaalsContact OE2-CZ 3.28Å; E701-R805 IonicContact OE2-NH1 3.83Å; E701-R805 PolarHBondContact OE2-NH1 2.95Å; E701-R805 IonicContact OE2-NH2 3.49Å; E701-R805 PolarHBondContact OE2-NH2 3.5Å
702	C	84.3	Confident	75.1	Confident	5 Å²	5	59.6 Å²	59.6	3%	0.034	31%	0.308	C	S	.	.	H	α-helix	trans	-65.6	-16.3	173.9	-62.4	0	0	0	0	113.5	M698 D699 I700 A706	M698-C702 HydrophobicContact CG-CB 4.15Å; M698-C702 HydrophobicContact SD-CB 4.46Å; D699-C702 WeakPolarHBondContact O-CB 3.34Å; D699-C702 PolarHBondContact O-N 3.24Å; I700-C702 PolarHBondContact O-N 3.17Å; C702-A706 WeakPolarHBondContact O-CB 3.49Å
703	L	78.1	Confident	76.6	Confident	8 Å²	8	58 Å²	58	4%	0.042	30%	0.302	C	S	.	.	H	α-helix	trans	-90.2	-45.8	171.6	-51.3	173.5	0	0	0	110.8	I692 F694 M698 I700 E701 Y705 A706	I692-L703 HydrophobicContact CD1-CD2 4.37Å; F694-L703 HydrophobicContact CE1-CD1 3.64Å; F694-L703 HydrophobicContact CE1-CD2 3.63Å; F694-L703 HydrophobicContact CE1-CG 4.21Å; F694-L703 HydrophobicContact CZ-CD1 3.93Å; F694-L703 HydrophobicContact CZ-CD2 3.56Å; F694-L703 HydrophobicContact CZ-CG 4.39Å; M698-L703 HydrophobicContact CE-CD2 3.79Å; M698-L703 HydrophobicContact SD-CD2 4.18Å; I700-L703 HydrophobicContact CG2-CD1 4.31Å; I700-L703 WeakPolarHBondContact O-CB 3.4Å; I700-L703 PolarHBondContact O-N 2.91Å; E701-L703 PolarHBondContact O-N 3.21Å; L703-Y705 VanDerWaalsContact C-N 3.33Å; L703-Y705 PolarHBondContact O-N 2.75Å; L703-A706 WeakPolarHBondContact O-CB 3.42Å; L703-A706 PolarHBondContact O-N 3.11Å
704	L	79.8	Confident	78.1	Confident	59 Å²	59	54.1 Å²	54.1	31%	0.309	29%	0.293	S	S	.	.	H	α-helix	trans	-67.4	-33.3	-174.7	-66.9	168.5	0	0	0	112.2	I700 E701 P813 P816 M819	I700-L704 HydrophobicContact CG2-CD1 4.12Å; I700-L704 HydrophobicContact CG2-CG 4.41Å; I700-L704 PolarHBondContact O-N 3.08Å; E701-L704 PolarHBondContact O-N 2.82Å; E701-L704 WeakPolarHBondContact OE2-CD1 3.46Å; L704-P813 HydrophobicContact CD1-CB 4.25Å; L704-P813 HydrophobicContact CD1-CG 3.88Å; L704-P816 HydrophobicContact CD2-CG 4.17Å; L704-M819 HydrophobicContact CD2-CE 4.07Å; L704-M819 HydrophobicContact CD2-SD 3.79Å
705	Y	84.8	Confident	79.8	Confident	47 Å²	47	55.2 Å²	55.2	18%	0.184	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	14.4	177.3	-60.9	-84.6	0	0	0	113.2	E701 L703 K707 S708 I797 R801	E701-Y705 HydrophobicContact CB-CD2 4.19Å; E701-Y705 WeakPolarHBondContact O-CD2 3.37Å; E701-Y705 PolarHBondContact O-N 3.25Å; E701-Y705 WeakPolarHBondContact OE1-CE2 3.4Å; L703-Y705 VanDerWaalsContact C-N 3.33Å; L703-Y705 PolarHBondContact O-N 2.75Å; Y705-K707 PolarHBondContact O-N 2.81Å; Y705-S708 WeakPolarHBondContact O-CB 3.45Å; Y705-S708 PolarHBondContact O-N 3.11Å; Y705-I797 HydrophobicContact CD1-CG2 3.74Å; Y705-I797 HydrophobicContact CG-CG2 3.84Å; Y705-R801 HydrophobicContact CD2-CB 4.26Å; Y705-R801 HydrophobicContact CD2-CG 3.95Å; Y705-R801 HydrophobicContact CE2-CB 4.25Å; Y705-R801 HydrophobicContact CE2-CG 3.78Å; Y705-R801 HydrophobicContact CG-CG 4.48Å; Y705-R801 PolarHBondContact OH-NH1 3.09Å; Y705-R801 VanDerWaalsContact OH-NH1 3.13Å
706	A	81.5	Confident	81.2	Confident	49 Å²	49	51.6 Å²	51.6	41%	0.405	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-18.9	-178.8	0	0	0	0	0	114.8	C702 L703	C702-A706 WeakPolarHBondContact O-CB 3.49Å; L703-A706 WeakPolarHBondContact O-CB 3.42Å; L703-A706 PolarHBondContact O-N 3.11Å
707	K	78.5	Confident	82.4	Confident	114 Å²	114	49.3 Å²	49.3	50%	0.496	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-6.5	176.9	-65.6	-179	175.9	-179.6	0	113.5	S684 I688 Y705	S684-K707 PolarHBondContact OG-NZ 2.73Å; I688-K707 HydrophobicContact CD1-CG 4.38Å; Y705-K707 PolarHBondContact O-N 2.81Å
708	S	83.4	Confident	83.4	Confident	42 Å²	42	50.5 Å²	50.5	29%	0.294	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-81.6	123.6	-176.1	-64.5	0	0	0	0	110.7	Y705 C857	Y705-S708 WeakPolarHBondContact O-CB 3.45Å; Y705-S708 PolarHBondContact O-N 3.11Å; S708-C857 PolarHBondContact OG-O 2.67Å
709	Q	84.1	Confident	84.1	Confident	166 Å²	166	52 Å²	52	78%	0.776	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-82.5	128.2	177.3	-64.7	-179.6	-4.1	0	0	110.3	I797	Q709-I797 WeakPolarHBondContact O-CD1 3.37Å
710	Y	89	Confident	84.5	Confident	13 Å²	13	51.3 Å²	51.3	5%	0.051	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-76.5	127.5	173.4	168.1	-102.9	0	0	0	110.8	Q409 A712 P795 Q800 Q859	Q409-Y710 PolarHBondContact NE2-O 3.39Å; Y710-A712 HydrophobicContact CE1-CB 3.77Å; Y710-P795 VanDerWaalsContact CB-O 3.23Å; Y710-P795 WeakPolarHBondContact CB-O 3.47Å; Y710-P795 HydrophobicContact CD1-CB 4.13Å; Y710-P795 HydrophobicContact CE1-CB 4.49Å; Y710-Q800 VanDerWaalsContact CE2-NE2 3.33Å; Y710-Q859 HydrophobicContact CD2-CG 4.19Å; Y710-Q859 VanDerWaalsContact CE2-NE2 3.34Å
711	I	87.6	Confident	85	Confident	54 Å²	54	55.5 Å²	55.5	28%	0.277	29%	0.29	S	S	.	.			trans	-108.2	108.7	-179.7	-67	168.7	0	0	0	107.8	Q859 L872 A873	I711-Q859 PolarHBondContact O-NE2 3.44Å; I711-Q859 PolarHBondContact O-OE1 3.25Å; I711-L872 HydrophobicContact CG2-CB 4.09Å; I711-A873 HydrophobicContact CD1-CB 3.32Å
712	A	86	Confident	85.3	Confident	34 Å²	34	59.7 Å²	59.7	28%	0.281	31%	0.31	S	S	.	.			trans	-71.9	145.4	-175.4	0	0	0	0	0	112.2	Y710 M716	Y710-A712 HydrophobicContact CE1-CB 3.77Å; A712-M716 HydrophobicContact CB-CB 4.25Å; A712-M716 HydrophobicContact CB-CE 3.8Å; A712-M716 HydrophobicContact CB-CG 4.38Å
713	P	85.7	Confident	85.6	Confident	22 Å²	22	60.3 Å²	60.3	14%	0.143	31%	0.312	C	S	.	.			trans	-56.5	147.3	164.7	-24.7	34.2	0	0	0	111.9	D715 M716 L793	P713-D715 PolarHBondContact O-N 3.44Å; P713-D715 VanDerWaalsContact O-N 3.16Å; P713-M716 HydrophobicContact CB-CB 4.36Å; P713-M716 WeakPolarHBondContact O-CB 3.32Å; P713-M716 PolarHBondContact O-N 3.15Å; P713-M716 VanDerWaalsContact O-N 3.1Å; P713-L793 HydrophobicContact CG-CD2 4.09Å
714	P	83	Confident	86.1	Confident	107 Å²	107	61.9 Å²	61.9	70%	0.695	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.6	-176	26.9	-35.2	0	0	0	113.5
715	D	86.6	Confident	86.5	Confident	65 Å²	65	65.7 Å²	65.7	35%	0.348	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	17.7	179.7	61.8	-34.9	0	0	0	113.1	P713 E717 T718 R719	P713-D715 PolarHBondContact O-N 3.44Å; P713-D715 VanDerWaalsContact O-N 3.16Å; D715-E717 PolarHBondContact O-N 2.98Å; D715-T718 PolarHBondContact O-N 3.39Å; D715-R719 PolarHBondContact O-N 3.21Å; D715-R719 VanDerWaalsContact O-N 3.13Å; D715-R719 IonicContact OD1-CZ 3.28Å; D715-R719 VanDerWaalsContact OD1-CZ 3.29Å; D715-R719 IonicContact OD1-NE 2.74Å; D715-R719 PolarHBondContact OD1-NE 2.96Å; D715-R719 IonicContact OD1-NH2 2.95Å; D715-R719 PolarHBondContact OD1-NH2 3.35Å; D715-R719 IonicContact OD2-CZ 3.29Å; D715-R719 IonicContact OD2-NE 2.95Å; D715-R719 PolarHBondContact OD2-NE 3.4Å; D715-R719 IonicContact OD2-NH2 3.02Å; D715-R719 PolarHBondContact OD2-NH2 3.44Å
716	M	86.1	Confident	86.7	Confident	18 Å²	18	66.2 Å²	66.2	9%	0.089	34%	0.339	C	S	.	.	H	α-helix	trans	-52	-42.4	-170.3	173	-94.4	-74.3	0	0	114.8	L407 T408 A712 P713 T718 R719 N720 L793	L407-M716 HydrophobicContact CB-SD 4.17Å; L407-M716 VanDerWaalsContact O-CE 3.26Å; L407-M716 WeakPolarHBondContact O-CE 3.36Å; T408-M716 HydrophobicContact CG2-CE 3.7Å; T408-M716 HydrophobicContact CG2-SD 4.1Å; A712-M716 HydrophobicContact CB-CB 4.25Å; A712-M716 HydrophobicContact CB-CE 3.8Å; A712-M716 HydrophobicContact CB-CG 4.38Å; P713-M716 HydrophobicContact CB-CB 4.36Å; P713-M716 WeakPolarHBondContact O-CB 3.32Å; P713-M716 PolarHBondContact O-N 3.15Å; P713-M716 VanDerWaalsContact O-N 3.1Å; M716-T718 VanDerWaalsContact C-N 3.31Å; M716-T718 PolarHBondContact O-N 2.92Å; M716-R719 PolarHBondContact O-N 2.98Å; M716-N720 WeakPolarHBondContact O-CB 3.22Å; M716-N720 PolarHBondContact O-N 3.33Å; M716-L793 HydrophobicContact CG-CD2 3.94Å
717	E	86.1	Confident	87	Confident	93 Å²	93	64 Å²	64	44%	0.435	32%	0.321	S	S	.	.	H	α-helix	trans	-61.3	-41.4	178.7	-65.3	-172.9	-179.4	0	0	112.4	T408 D715 N720 R721	T408-E717 HydrophobicContact CG2-CG 4.1Å; D715-E717 PolarHBondContact O-N 2.98Å; E717-N720 PolarHBondContact O-N 3.05Å; E717-R721 WeakPolarHBondContact O-CG 3.05Å; E717-R721 PolarHBondContact O-N 2.92Å; E717-R721 PolarHBondContact O-NE 3.09Å; E717-R721 IonicContact OE2-CZ 2.71Å; E717-R721 VanDerWaalsContact OE2-CZ 3.24Å; E717-R721 IonicContact OE2-NH1 2.63Å; E717-R721 PolarHBondContact OE2-NH1 3.47Å; E717-R721 IonicContact OE2-NH2 2.8Å; E717-R721 PolarHBondContact OE2-NH2 2.91Å
718	T	89	Confident	87.3	Confident	86 Å²	86	62.8 Å²	62.8	53%	0.528	32%	0.317	S	S	.	.	H	α-helix	trans	-70.1	-38.6	-177.8	-63.4	0	0	0	0	110.2	D715 M716 R721 E722	D715-T718 PolarHBondContact O-N 3.39Å; M716-T718 VanDerWaalsContact C-N 3.31Å; M716-T718 PolarHBondContact O-N 2.92Å; T718-R721 PolarHBondContact O-N 2.98Å; T718-R721 PolarHBondContact OG1-NH2 3.01Å; T718-E722 PolarHBondContact O-N 2.9Å
719	R	87.9	Confident	87.4	Confident	66 Å²	66	65.6 Å²	65.6	25%	0.249	33%	0.328	C	S	.	.	H	α-helix	trans	-64	-39	170.2	-62.5	-174.7	-175.6	-162.7	12.6	113	D715 M716 E722 L723 L793 D865	D715-R719 PolarHBondContact O-N 3.21Å; D715-R719 VanDerWaalsContact O-N 3.13Å; D715-R719 IonicContact OD1-CZ 3.28Å; D715-R719 VanDerWaalsContact OD1-CZ 3.29Å; D715-R719 IonicContact OD1-NE 2.74Å; D715-R719 PolarHBondContact OD1-NE 2.96Å; D715-R719 IonicContact OD1-NH2 2.95Å; D715-R719 PolarHBondContact OD1-NH2 3.35Å; D715-R719 IonicContact OD2-CZ 3.29Å; D715-R719 IonicContact OD2-NE 2.95Å; D715-R719 PolarHBondContact OD2-NE 3.4Å; D715-R719 IonicContact OD2-NH2 3.02Å; D715-R719 PolarHBondContact OD2-NH2 3.44Å; M716-R719 PolarHBondContact O-N 2.98Å; R719-E722 PolarHBondContact O-N 3.35Å; R719-L723 VanDerWaalsContact O-CB 3.24Å; R719-L723 WeakPolarHBondContact O-CB 3.34Å; R719-L723 PolarHBondContact O-N 3.37Å; R719-L793 HydrophobicContact CB-CD1 4.05Å; R719-D865 IonicContact CZ-OD1 3.13Å; R719-D865 IonicContact CZ-OD2 3.07Å; R719-D865 IonicContact NH1-OD1 2.73Å; R719-D865 PolarHBondContact NH1-OD1 3.31Å; R719-D865 IonicContact NH1-OD2 3.97Å; R719-D865 PolarHBondContact NH1-OD2 2.76Å; R719-D865 IonicContact NH2-OD1 3.07Å; R719-D865 PolarHBondContact NH2-OD1 2.93Å
720	N	90	Very high	87.4	Confident	8 Å²	8	59.2 Å²	59.2	4%	0.043	30%	0.3	C	S	.	.	H	α-helix	trans	-64.6	-45.8	176.1	-177	51.3	0	0	0	111.2	S406 L407 M716 E717 E722 L723 I724	S406-N720 WeakPolarHBondContact CA-ND2 3.24Å; S406-N720 WeakPolarHBondContact CB-ND2 3.24Å; S406-N720 PolarHBondContact OG-ND2 3.3Å; L407-N720 HydrophobicContact CD1-CB 4.45Å; L407-N720 WeakPolarHBondContact CD1-OD1 3.4Å; L407-N720 WeakPolarHBondContact CG-OD1 3.32Å; M716-N720 WeakPolarHBondContact O-CB 3.22Å; M716-N720 PolarHBondContact O-N 3.33Å; E717-N720 PolarHBondContact O-N 3.05Å; N720-E722 VanDerWaalsContact C-N 3.31Å; N720-E722 PolarHBondContact O-N 2.93Å; N720-L723 PolarHBondContact O-N 3.16Å; N720-I724 WeakPolarHBondContact O-CD1 3.48Å; N720-I724 VanDerWaalsContact O-CG1 3.28Å; N720-I724 WeakPolarHBondContact O-CG1 3.34Å; N720-I724 PolarHBondContact O-N 2.98Å
721	R	89.3	Confident	87	Confident	105 Å²	105	58.7 Å²	58.7	40%	0.396	30%	0.298	S	S	.	.	H	α-helix	trans	-58.6	-40.6	175	-73.8	-178.9	-76.4	-108.3	2.1	112.1	E717 T718 R725	E717-R721 WeakPolarHBondContact O-CG 3.05Å; E717-R721 PolarHBondContact O-N 2.92Å; E717-R721 PolarHBondContact O-NE 3.09Å; E717-R721 IonicContact OE2-CZ 2.71Å; E717-R721 VanDerWaalsContact OE2-CZ 3.24Å; E717-R721 IonicContact OE2-NH1 2.63Å; E717-R721 PolarHBondContact OE2-NH1 3.47Å; E717-R721 IonicContact OE2-NH2 2.8Å; E717-R721 PolarHBondContact OE2-NH2 2.91Å; T718-R721 PolarHBondContact O-N 2.98Å; T718-R721 PolarHBondContact OG1-NH2 3.01Å; R721-R725 WeakPolarHBondContact O-CG 3.49Å; R721-R725 PolarHBondContact O-N 3.14Å
722	E	90.2	Very high	86.6	Confident	93 Å²	93	60.8 Å²	60.8	44%	0.435	31%	0.305	S	S	.	.	H	α-helix	trans	-76.4	-35.3	178.5	-162.2	57.4	-149.2	0	0	113.3	T718 R719 N720 R725 T726	T718-E722 PolarHBondContact O-N 2.9Å; R719-E722 PolarHBondContact O-N 3.35Å; N720-E722 VanDerWaalsContact C-N 3.31Å; N720-E722 PolarHBondContact O-N 2.93Å; E722-R725 PolarHBondContact O-N 3.24Å; E722-R725 WeakPolarHBondContact OE2-CD 3.45Å; E722-R725 IonicContact OE2-CZ 2.84Å; E722-R725 IonicContact OE2-NE 3.87Å; E722-R725 IonicContact OE2-NH1 2.73Å; E722-R725 PolarHBondContact OE2-NH1 3.21Å; E722-T726 WeakPolarHBondContact O-CB 3.45Å; E722-T726 PolarHBondContact O-N 2.8Å; E722-T726 PolarHBondContact O-OG1 3.26Å
723	L	90.3	Very high	85.9	Confident	17 Å²	17	65.8 Å²	65.8	9%	0.089	33%	0.327	C	S	.	.	H	α-helix	trans	-58.9	-46.6	171.1	171.6	62.6	0	0	0	111	R719 N720 R725 T726 V727 W786 P789 M790 L793	R719-L723 VanDerWaalsContact O-CB 3.24Å; R719-L723 WeakPolarHBondContact O-CB 3.34Å; R719-L723 PolarHBondContact O-N 3.37Å; N720-L723 PolarHBondContact O-N 3.16Å; L723-R725 PolarHBondContact O-N 2.73Å; L723-T726 WeakPolarHBondContact O-CB 3.35Å; L723-T726 PolarHBondContact O-N 2.79Å; L723-T726 VanDerWaalsContact O-N 3.17Å; L723-V727 HydrophobicContact CD1-CG2 3.8Å; L723-V727 HydrophobicContact CG-CG2 4.37Å; L723-V727 VanDerWaalsContact O-CG2 3.31Å; L723-V727 WeakPolarHBondContact O-CG2 3.42Å; L723-V727 PolarHBondContact O-N 2.94Å; L723-W786 HydrophobicContact CD1-CB 3.95Å; L723-W786 HydrophobicContact CD1-CE3 4.48Å; L723-W786 WeakPolarHBondContact CD1-O 3.39Å; L723-P789 HydrophobicContact CD1-CB 4.36Å; L723-M790 HydrophobicContact CD1-CB 4.31Å; L723-M790 HydrophobicContact CD2-CB 3.95Å; L723-M790 HydrophobicContact CD2-CG 4.48Å; L723-L793 HydrophobicContact CD2-CD1 4.27Å
724	I	88.3	Confident	85.1	Confident	41 Å²	41	68 Å²	68	21%	0.21	34%	0.335	C	S	.	.	H	α-helix	trans	-58.9	-46.4	179.5	-68.6	161.8	0	0	0	110.6	F404 N720 T726 V727 E728 F740	F404-I724 HydrophobicContact CB-CD1 4.2Å; F404-I724 HydrophobicContact CD1-CD1 3.93Å; F404-I724 HydrophobicContact CD1-CG1 4.16Å; F404-I724 HydrophobicContact CD1-CG2 4.13Å; F404-I724 HydrophobicContact CE1-CG2 4.27Å; F404-I724 HydrophobicContact CG-CD1 4.4Å; N720-I724 WeakPolarHBondContact O-CD1 3.48Å; N720-I724 VanDerWaalsContact O-CG1 3.28Å; N720-I724 WeakPolarHBondContact O-CG1 3.34Å; N720-I724 PolarHBondContact O-N 2.98Å; I724-T726 PolarHBondContact O-N 3Å; I724-V727 PolarHBondContact O-N 3.16Å; I724-E728 WeakPolarHBondContact O-CB 3.45Å; I724-E728 PolarHBondContact O-N 3.19Å; I724-F740 HydrophobicContact CG2-CZ 4.26Å
725	R	89	Confident	84.3	Confident	139 Å²	139	65.4 Å²	65.4	53%	0.525	32%	0.319	S	S	.	.	H	α-helix	trans	-59.5	-44.3	174.2	-67.7	169.5	-179	158.4	-2.5	112.7	R721 E722 L723 V727 E728 N729	R721-R725 WeakPolarHBondContact O-CG 3.49Å; R721-R725 PolarHBondContact O-N 3.14Å; E722-R725 PolarHBondContact O-N 3.24Å; E722-R725 WeakPolarHBondContact OE2-CD 3.45Å; E722-R725 IonicContact OE2-CZ 2.84Å; E722-R725 IonicContact OE2-NE 3.87Å; E722-R725 IonicContact OE2-NH1 2.73Å; E722-R725 PolarHBondContact OE2-NH1 3.21Å; L723-R725 PolarHBondContact O-N 2.73Å; R725-V727 VanDerWaalsContact C-N 3.33Å; R725-V727 PolarHBondContact O-N 3.45Å; R725-E728 PolarHBondContact O-N 2.93Å; R725-N729 VanDerWaalsContact O-CG 3.27Å; R725-N729 PolarHBondContact O-N 2.84Å; R725-N729 PolarHBondContact O-ND2 3.36Å
726	T	89.3	Confident	83.5	Confident	59 Å²	59	63.4 Å²	63.4	36%	0.362	31%	0.314	S	S	.	.	H	α-helix	trans	-62	-42.8	-179.8	-55.5	0	0	0	0	111	E722 L723 I724 D730 W786	E722-T726 WeakPolarHBondContact O-CB 3.45Å; E722-T726 PolarHBondContact O-N 2.8Å; E722-T726 PolarHBondContact O-OG1 3.26Å; L723-T726 WeakPolarHBondContact O-CB 3.35Å; L723-T726 PolarHBondContact O-N 2.79Å; L723-T726 VanDerWaalsContact O-N 3.17Å; I724-T726 PolarHBondContact O-N 3Å; T726-D730 VanDerWaalsContact O-CB 3.29Å; T726-D730 WeakPolarHBondContact O-CB 3.4Å; T726-D730 PolarHBondContact O-N 2.84Å; T726-W786 HydrophobicContact CG2-CB 3.92Å; T726-W786 HydrophobicContact CG2-CG 4.35Å
727	V	87.2	Confident	82.8	Confident	3 Å²	3	69.6 Å²	69.6	2%	0.018	34%	0.34	C	S	.	.	H	α-helix	trans	-71.5	-38.7	177.6	174.5	0	0	0	0	112	L723 I724 R725 L731 F740 F743 W786	L723-V727 HydrophobicContact CD1-CG2 3.8Å; L723-V727 HydrophobicContact CG-CG2 4.37Å; L723-V727 VanDerWaalsContact O-CG2 3.31Å; L723-V727 WeakPolarHBondContact O-CG2 3.42Å; L723-V727 PolarHBondContact O-N 2.94Å; I724-V727 PolarHBondContact O-N 3.16Å; R725-V727 VanDerWaalsContact C-N 3.33Å; R725-V727 PolarHBondContact O-N 3.45Å; V727-L731 HydrophobicContact CG1-CD1 3.66Å; V727-L731 HydrophobicContact CG1-CG 4.25Å; V727-L731 WeakPolarHBondContact O-CB 3.41Å; V727-L731 WeakPolarHBondContact O-CG 3.38Å; V727-L731 PolarHBondContact O-N 2.67Å; V727-F740 HydrophobicContact CG1-CD2 4.21Å; V727-F740 HydrophobicContact CG1-CE2 4.21Å; V727-F743 HydrophobicContact CG1-CD1 3.7Å; V727-F743 HydrophobicContact CG1-CD2 4.47Å; V727-F743 HydrophobicContact CG1-CE1 3.65Å; V727-F743 HydrophobicContact CG1-CE2 4.41Å; V727-F743 HydrophobicContact CG1-CG 4.15Å; V727-F743 HydrophobicContact CG1-CZ 4.02Å; V727-W786 HydrophobicContact CG1-CH2 4.25Å; V727-W786 HydrophobicContact CG1-CZ2 4.44Å; V727-W786 HydrophobicContact CG1-CZ3 4.49Å; V727-W786 HydrophobicContact CG2-CD2 3.61Å; V727-W786 HydrophobicContact CG2-CE3 3.43Å; V727-W786 VanDerWaalsContact CG2-CE3 3.43Å; V727-W786 HydrophobicContact CG2-CG 4.12Å; V727-W786 HydrophobicContact CG2-CH2 4.15Å; V727-W786 HydrophobicContact CG2-CZ2 4.29Å; V727-W786 HydrophobicContact CG2-CZ3 3.74Å
728	E	86.2	Confident	82.5	Confident	87 Å²	87	69.8 Å²	69.8	41%	0.407	35%	0.347	S	S	.	.	H	α-helix	trans	-59.3	-52.9	175.4	-170.5	173.3	-169.3	0	0	110	I724 R725 F732 F740	I724-E728 WeakPolarHBondContact O-CB 3.45Å; I724-E728 PolarHBondContact O-N 3.19Å; R725-E728 PolarHBondContact O-N 2.93Å; E728-F732 WeakPolarHBondContact O-CB 3.34Å; E728-F732 PolarHBondContact O-N 3.11Å; E728-F740 HydrophobicContact CB-CD2 4.01Å; E728-F740 HydrophobicContact CB-CE2 3.66Å; E728-F740 HydrophobicContact CB-CZ 4Å; E728-F740 HydrophobicContact CG-CD1 4.44Å; E728-F740 HydrophobicContact CG-CD2 4.28Å; E728-F740 HydrophobicContact CG-CE1 4.34Å; E728-F740 HydrophobicContact CG-CE2 4.18Å; E728-F740 HydrophobicContact CG-CG 4.4Å; E728-F740 HydrophobicContact CG-CZ 4.19Å
729	N	85.5	Confident	82.2	Confident	101 Å²	101	65.8 Å²	65.8	54%	0.54	32%	0.323	S	S	.	.	H	α-helix	trans	-59.5	-53.4	177.7	-65.6	-20.5	0	0	0	112.2	R725 L731 F732 D733	R725-N729 VanDerWaalsContact O-CG 3.27Å; R725-N729 PolarHBondContact O-N 2.84Å; R725-N729 PolarHBondContact O-ND2 3.36Å; N729-L731 VanDerWaalsContact C-N 3.32Å; N729-L731 PolarHBondContact O-N 3.35Å; N729-F732 PolarHBondContact O-N 3.11Å; N729-D733 PolarHBondContact O-N 3.29Å
730	D	83.3	Confident	82.1	Confident	33 Å²	33	63.3 Å²	63.3	18%	0.176	31%	0.314	C	S	.	.	H	α-helix	trans	-62.3	-35.4	-174.3	-168.9	61.4	0	0	0	113.2	T726 K734 W786	T726-D730 VanDerWaalsContact O-CB 3.29Å; T726-D730 WeakPolarHBondContact O-CB 3.4Å; T726-D730 PolarHBondContact O-N 2.84Å; D730-K734 WeakPolarHBondContact O-CB 3.48Å; D730-K734 WeakPolarHBondContact O-CD 3.28Å; D730-K734 VanDerWaalsContact O-CG 3.24Å; D730-K734 WeakPolarHBondContact O-CG 3.34Å; D730-K734 PolarHBondContact O-N 2.89Å; D730-K734 WeakPolarHBondContact OD1-CE 3.41Å; D730-K734 IonicContact OD1-NZ 2.75Å; D730-K734 PolarHBondContact OD1-NZ 3.34Å; D730-K734 IonicContact OD2-NZ 3.2Å; D730-K734 PolarHBondContact OD2-NZ 3.48Å; D730-W786 PolarHBondContact OD2-NE1 3.3Å
731	L	81.4	Confident	81.9	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-82.6	-32.1	175.9	-65.8	178.9	0	0	0	112.7	V727 N729 S735 G736 A739 F740 F743 L768	V727-L731 HydrophobicContact CG1-CD1 3.66Å; V727-L731 HydrophobicContact CG1-CG 4.25Å; V727-L731 WeakPolarHBondContact O-CB 3.41Å; V727-L731 WeakPolarHBondContact O-CG 3.38Å; V727-L731 PolarHBondContact O-N 2.67Å; N729-L731 VanDerWaalsContact C-N 3.32Å; N729-L731 PolarHBondContact O-N 3.35Å; L731-S735 CarbonylContact O-C 3.57Å; L731-S735 PolarHBondContact O-N 2.95Å; L731-G736 PolarHBondContact O-N 3.13Å; L731-A739 HydrophobicContact CB-CB 4.23Å; L731-F740 HydrophobicContact CD1-CD2 4.5Å; L731-F743 HydrophobicContact CD1-CB 3.46Å; L731-F743 VanDerWaalsContact CD1-CB 3.46Å; L731-F743 HydrophobicContact CD1-CD1 4.36Å; L731-F743 HydrophobicContact CD1-CD2 4.13Å; L731-F743 HydrophobicContact CD1-CG 3.72Å; L731-L768 HydrophobicContact CD2-CD2 3.93Å; L731-L768 HydrophobicContact CD2-CG 4.5Å
732	F	77.7	Confident	81.8	Confident	98 Å²	98	69 Å²	69	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-64.5	-44	176.2	-163.5	-68.7	0	0	0	110.8	E728 N729 G736 K737	E728-F732 WeakPolarHBondContact O-CB 3.34Å; E728-F732 PolarHBondContact O-N 3.11Å; N729-F732 PolarHBondContact O-N 3.11Å; F732-G736 VanDerWaalsContact O-CA 3.22Å; F732-G736 WeakPolarHBondContact O-CA 3.24Å; F732-G736 PolarHBondContact O-N 2.82Å; F732-K737 HydrophobicContact CD2-CG 3.91Å; F732-K737 HydrophobicContact CE2-CD 4.14Å; F732-K737 HydrophobicContact CE2-CG 3.41Å; F732-K737 VanDerWaalsContact CE2-CG 3.41Å; F732-K737 HydrophobicContact CZ-CG 4.09Å
733	D	71.1	Confident	81.8	Confident	140 Å²	140	65.6 Å²	65.6	75%	0.749	33%	0.325	S	S	*	.	H	α-helix	trans	-68.7	-37.4	178.4	-73	-18	0	0	0	112.6	N729	N729-D733 PolarHBondContact O-N 3.29Å
734	K	69.7	Low	81.7	Confident	69 Å²	69	66.4 Å²	66.4	30%	0.3	33%	0.334	S	S	.	.	H	α-helix	trans	-82.1	-36.7	-176.7	-71.3	172.9	-172.6	164.9	0	114.2	D730	D730-K734 WeakPolarHBondContact O-CB 3.48Å; D730-K734 WeakPolarHBondContact O-CD 3.28Å; D730-K734 VanDerWaalsContact O-CG 3.24Å; D730-K734 WeakPolarHBondContact O-CG 3.34Å; D730-K734 PolarHBondContact O-N 2.89Å; D730-K734 WeakPolarHBondContact OD1-CE 3.41Å; D730-K734 IonicContact OD1-NZ 2.75Å; D730-K734 PolarHBondContact OD1-NZ 3.34Å; D730-K734 IonicContact OD2-NZ 3.2Å; D730-K734 PolarHBondContact OD2-NZ 3.48Å
735	S	66.9	Low	81.8	Confident	52 Å²	52	68.1 Å²	68.1	36%	0.364	34%	0.344	S	S	.	.	H	α-helix	trans	-152.9	10.4	-172	39.4	0	0	0	0	115.1	L731 A739 L767	L731-S735 CarbonylContact O-C 3.57Å; L731-S735 PolarHBondContact O-N 2.95Å; S735-A739 WeakPolarHBondContact OG-CB 3.35Å; S735-L767 PolarHBondContact OG-O 3.14Å
736	G	69.3	Low	81.8	Confident	23 Å²	23	62.4 Å²	62.4	24%	0.237	32%	0.323	C	S	.	.			trans	76.3	-179.4	170.3	0	0	0	0	0	115.2	L731 F732 T738 A739	L731-G736 PolarHBondContact O-N 3.13Å; F732-G736 VanDerWaalsContact O-CA 3.22Å; F732-G736 WeakPolarHBondContact O-CA 3.24Å; F732-G736 PolarHBondContact O-N 2.82Å; G736-T738 PolarHBondContact O-N 2.83Å; G736-A739 WeakPolarHBondContact O-CB 3.16Å; G736-A739 PolarHBondContact O-N 3.46Å
737	K	71.6	Confident	81.9	Confident	148 Å²	148	61 Å²	61	64%	0.643	32%	0.316	S	S	*	.	H	α-helix	trans	-49.8	-33.6	-176	-67.9	-177	176.6	-178.7	0	114.6	F732 A739 I741	F732-K737 HydrophobicContact CD2-CG 3.91Å; F732-K737 HydrophobicContact CE2-CD 4.14Å; F732-K737 HydrophobicContact CE2-CG 3.41Å; F732-K737 VanDerWaalsContact CE2-CG 3.41Å; F732-K737 HydrophobicContact CZ-CG 4.09Å; K737-A739 VanDerWaalsContact C-N 3.29Å; K737-A739 PolarHBondContact O-N 3.44Å; K737-I741 WeakPolarHBondContact O-CG1 3.4Å; K737-I741 PolarHBondContact O-N 3.42Å
738	T	80.3	Confident	82	Confident	96 Å²	96	68.6 Å²	68.6	59%	0.589	34%	0.344	S	S	*	.	H	α-helix	trans	-68.9	-25.2	179.8	52.7	0	0	0	0	113.1	G736 R742	G736-T738 PolarHBondContact O-N 2.83Å; T738-R742 WeakPolarHBondContact O-CD 3.24Å; T738-R742 VanDerWaalsContact O-CG 3.24Å; T738-R742 WeakPolarHBondContact O-CG 3.43Å; T738-R742 PolarHBondContact O-N 3.38Å
739	A	82.1	Confident	82.2	Confident	3 Å²	3	68.9 Å²	68.9	3%	0.025	34%	0.341	C	S	.	.	H	α-helix	trans	-73.7	-43	176.8	0	0	0	0	0	112.1	L731 S735 G736 K737 R742 F743	L731-A739 HydrophobicContact CB-CB 4.23Å; S735-A739 WeakPolarHBondContact OG-CB 3.35Å; G736-A739 WeakPolarHBondContact O-CB 3.16Å; G736-A739 PolarHBondContact O-N 3.46Å; K737-A739 VanDerWaalsContact C-N 3.29Å; K737-A739 PolarHBondContact O-N 3.44Å; A739-R742 PolarHBondContact O-N 3.21Å; A739-F743 WeakPolarHBondContact O-CB 3.37Å; A739-F743 PolarHBondContact O-N 2.75Å
740	F	86	Confident	82.4	Confident	14 Å²	14	64.2 Å²	64.2	6%	0.061	32%	0.316	C	S	.	.	H	α-helix	trans	-61.7	-44.4	175.8	-176.1	-109.6	0	0	0	112.1	F404 I724 V727 E728 L731 R742 F743 A744	F404-F740 HydrophobicContact CE1-CE1 4.4Å; F404-F740 AromaticContact CE1-CZ 3.86Å; F404-F740 HydrophobicContact CE1-CZ 3.86Å; F404-F740 AromaticContact CE2-CE1 3.95Å; F404-F740 HydrophobicContact CE2-CE1 3.95Å; F404-F740 HydrophobicContact CE2-CZ 4.12Å; F404-F740 AromaticContact CZ-CE1 3.46Å; F404-F740 HydrophobicContact CZ-CE1 3.46Å; F404-F740 VanDerWaalsContact CZ-CE1 3.46Å; F404-F740 HydrophobicContact CZ-CE2 4.39Å; F404-F740 AromaticContact CZ-CZ 3.37Å; F404-F740 HydrophobicContact CZ-CZ 3.37Å; I724-F740 HydrophobicContact CG2-CZ 4.26Å; V727-F740 HydrophobicContact CG1-CD2 4.21Å; V727-F740 HydrophobicContact CG1-CE2 4.21Å; E728-F740 HydrophobicContact CB-CD2 4.01Å; E728-F740 HydrophobicContact CB-CE2 3.66Å; E728-F740 HydrophobicContact CB-CZ 4Å; E728-F740 HydrophobicContact CG-CD1 4.44Å; E728-F740 HydrophobicContact CG-CD2 4.28Å; E728-F740 HydrophobicContact CG-CE1 4.34Å; E728-F740 HydrophobicContact CG-CE2 4.18Å; E728-F740 HydrophobicContact CG-CG 4.4Å; E728-F740 HydrophobicContact CG-CZ 4.19Å; L731-F740 HydrophobicContact CD1-CD2 4.5Å; F740-R742 VanDerWaalsContact C-N 3.33Å; F740-R742 PolarHBondContact O-N 2.8Å; F740-F743 WeakPolarHBondContact O-CB 3.46Å; F740-F743 PolarHBondContact O-N 3.45Å; F740-A744 PolarHBondContact O-N 2.98Å
741	I	85.9	Confident	82.7	Confident	91 Å²	91	67.3 Å²	67.3	47%	0.467	33%	0.326	S	S	.	.	H	α-helix	trans	-59.8	-42.5	175.3	-64.9	166.3	0	0	0	111.2	L399 K737 A744 D745	L399-I741 HydrophobicContact CD1-CG1 4.34Å; K737-I741 WeakPolarHBondContact O-CG1 3.4Å; K737-I741 PolarHBondContact O-N 3.42Å; I741-A744 PolarHBondContact O-N 3.23Å; I741-D745 PolarHBondContact O-N 2.93Å; I741-D745 VanDerWaalsContact O-N 3.1Å
742	R	86.4	Confident	82.9	Confident	141 Å²	141	74.3 Å²	74.3	53%	0.532	35%	0.353	S	S	.	.	H	α-helix	trans	-68.5	-36.5	176.5	-73.8	172.1	174.3	-149.8	-4	112.9	T738 A739 F740 A744 L746 L767	T738-R742 WeakPolarHBondContact O-CD 3.24Å; T738-R742 VanDerWaalsContact O-CG 3.24Å; T738-R742 WeakPolarHBondContact O-CG 3.43Å; T738-R742 PolarHBondContact O-N 3.38Å; A739-R742 PolarHBondContact O-N 3.21Å; F740-R742 VanDerWaalsContact C-N 3.33Å; F740-R742 PolarHBondContact O-N 2.8Å; R742-A744 VanDerWaalsContact C-N 3.32Å; R742-L746 WeakPolarHBondContact O-CB 3.18Å; R742-L746 PolarHBondContact O-N 2.98Å; R742-L767 HydrophobicContact CB-CD1 4.12Å; R742-L767 HydrophobicContact CB-CD2 3.55Å; R742-L767 HydrophobicContact CB-CG 4.48Å; R742-L767 HydrophobicContact CG-CD2 4.34Å
743	F	90.4	Very high	83.3	Confident	22 Å²	22	73 Å²	73	10%	0.096	35%	0.347	C	S	.	.	H	α-helix	trans	-62.8	-39.5	173.2	170.9	-89.3	0	0	0	111.6	V727 L731 A739 F740 S747 L764 L767 W786 M790	V727-F743 HydrophobicContact CG1-CD1 3.7Å; V727-F743 HydrophobicContact CG1-CD2 4.47Å; V727-F743 HydrophobicContact CG1-CE1 3.65Å; V727-F743 HydrophobicContact CG1-CE2 4.41Å; V727-F743 HydrophobicContact CG1-CG 4.15Å; V727-F743 HydrophobicContact CG1-CZ 4.02Å; L731-F743 HydrophobicContact CD1-CB 3.46Å; L731-F743 VanDerWaalsContact CD1-CB 3.46Å; L731-F743 HydrophobicContact CD1-CD1 4.36Å; L731-F743 HydrophobicContact CD1-CD2 4.13Å; L731-F743 HydrophobicContact CD1-CG 3.72Å; A739-F743 WeakPolarHBondContact O-CB 3.37Å; A739-F743 PolarHBondContact O-N 2.75Å; F740-F743 WeakPolarHBondContact O-CB 3.46Å; F740-F743 PolarHBondContact O-N 3.45Å; F743-S747 WeakPolarHBondContact CZ-OG 3.49Å; F743-S747 VanDerWaalsContact O-CB 3.25Å; F743-S747 WeakPolarHBondContact O-CB 3.45Å; F743-S747 PolarHBondContact O-N 3.48Å; F743-S747 PolarHBondContact O-OG 2.9Å; F743-L764 HydrophobicContact CD2-CD2 3.45Å; F743-L764 VanDerWaalsContact CD2-CD2 3.45Å; F743-L764 HydrophobicContact CE2-CD2 3.55Å; F743-L767 HydrophobicContact CB-CD1 4.12Å; F743-W786 HydrophobicContact CD2-CH2 4.06Å; F743-W786 AromaticContact CE2-CH2 3.59Å; F743-W786 HydrophobicContact CE2-CH2 3.59Å; F743-W786 AromaticContact CE2-CZ3 3.62Å; F743-W786 HydrophobicContact CE2-CZ3 3.62Å; F743-W786 HydrophobicContact CZ-CH2 4.24Å; F743-W786 AromaticContact CZ-CZ3 3.93Å; F743-W786 HydrophobicContact CZ-CZ3 3.93Å; F743-M790 HydrophobicContact CE2-SD 3.87Å; F743-M790 HydrophobicContact CZ-SD 3.73Å
744	A	88	Confident	83.9	Confident	33 Å²	33	71.3 Å²	71.3	27%	0.273	34%	0.335	S	S	.	.	H	α-helix	trans	-64.6	-47.6	176.2	0	0	0	0	0	112.1	F404 F740 I741 R742 S747 R748	F404-A744 HydrophobicContact CZ-CB 4.36Å; F740-A744 PolarHBondContact O-N 2.98Å; I741-A744 PolarHBondContact O-N 3.23Å; R742-A744 VanDerWaalsContact C-N 3.32Å; A744-S747 PolarHBondContact O-N 3.02Å; A744-R748 VanDerWaalsContact O-CB 3.29Å; A744-R748 WeakPolarHBondContact O-CB 3.3Å; A744-R748 PolarHBondContact O-N 2.65Å
745	D	89.8	Confident	84.6	Confident	78 Å²	78	68.9 Å²	68.9	42%	0.417	33%	0.325	S	S	.	.	H	α-helix	trans	-57.3	-51.7	172.9	174.6	64.5	0	0	0	111.8	I741 S747 R748 R749	I741-D745 PolarHBondContact O-N 2.93Å; I741-D745 VanDerWaalsContact O-N 3.1Å; D745-S747 VanDerWaalsContact C-N 3.28Å; D745-S747 PolarHBondContact O-N 3.21Å; D745-R748 WeakPolarHBondContact O-CB 3.32Å; D745-R748 PolarHBondContact O-N 2.99Å; D745-R748 VanDerWaalsContact O-N 3.17Å; D745-R749 VanDerWaalsContact CG-CD 3.45Å; D745-R749 WeakPolarHBondContact O-CB 3.07Å; D745-R749 VanDerWaalsContact O-CG 3.28Å; D745-R749 WeakPolarHBondContact O-CG 3.49Å; D745-R749 PolarHBondContact O-N 3.13Å; D745-R749 VanDerWaalsContact OD1-CD 3.28Å; D745-R749 WeakPolarHBondContact OD1-CD 3.33Å; D745-R749 WeakPolarHBondContact OD2-CD 3.26Å; D745-R749 IonicContact OD2-CZ 3.66Å; D745-R749 IonicContact OD2-NE 2.7Å; D745-R749 IonicContact OD2-NH1 2.59Å; D745-R749 PolarHBondContact OD2-NH1 3.01Å
746	L	90.6	Very high	85.6	Confident	18 Å²	18	68 Å²	68	9%	0.094	32%	0.316	C	S	.	.	H	α-helix	trans	-58	-41.9	-178.1	-172.3	71.9	0	0	0	111.4	R742 Y750 I755 Y760 G763 L764 L767	R742-L746 WeakPolarHBondContact O-CB 3.18Å; R742-L746 PolarHBondContact O-N 2.98Å; L746-Y750 PolarHBondContact O-N 3.44Å; L746-Y750 VanDerWaalsContact O-N 3.08Å; L746-I755 HydrophobicContact CD1-CD1 3.72Å; L746-I755 HydrophobicContact CG-CD1 4.42Å; L746-Y760 HydrophobicContact CB-CE2 4.43Å; L746-Y760 HydrophobicContact CD1-CD2 4.4Å; L746-Y760 HydrophobicContact CD2-CD2 4.14Å; L746-Y760 HydrophobicContact CD2-CE2 4.14Å; L746-Y760 HydrophobicContact CG-CD2 3.66Å; L746-Y760 HydrophobicContact CG-CE2 3.83Å; L746-Y760 WeakPolarHBondContact O-CD2 3.22Å; L746-G763 VanDerWaalsContact CD2-C 3.47Å; L746-L764 HydrophobicContact CD2-CD2 3.95Å; L746-L764 HydrophobicContact CD2-CG 4.14Å; L746-L767 HydrophobicContact CD2-CD1 4.07Å
747	S	90.8	Very high	86.5	Confident	29 Å²	29	67 Å²	67	20%	0.203	31%	0.306	C	S	.	.	H	α-helix	trans	-74.1	-35	178.7	-56.9	0	0	0	0	112.8	F743 A744 D745 Y750 R751 Y760	F743-S747 WeakPolarHBondContact CZ-OG 3.49Å; F743-S747 VanDerWaalsContact O-CB 3.25Å; F743-S747 WeakPolarHBondContact O-CB 3.45Å; F743-S747 PolarHBondContact O-N 3.48Å; F743-S747 PolarHBondContact O-OG 2.9Å; A744-S747 PolarHBondContact O-N 3.02Å; D745-S747 VanDerWaalsContact C-N 3.28Å; D745-S747 PolarHBondContact O-N 3.21Å; S747-Y750 PolarHBondContact O-N 3.33Å; S747-R751 WeakPolarHBondContact O-CB 3.32Å; S747-R751 PolarHBondContact O-N 3.41Å; S747-Y760 PolarHBondContact OG-OH 2.88Å
748	R	89.9	Confident	87.2	Confident	163 Å²	163	61.5 Å²	61.5	62%	0.615	28%	0.284	S	S	*	.	H	α-helix	trans	-60.3	-50.7	170.7	-177	176.8	-178.5	139.1	0.4	110.6	A744 D745 Y750 R751 Y752	A744-R748 VanDerWaalsContact O-CB 3.29Å; A744-R748 WeakPolarHBondContact O-CB 3.3Å; A744-R748 PolarHBondContact O-N 2.65Å; D745-R748 WeakPolarHBondContact O-CB 3.32Å; D745-R748 PolarHBondContact O-N 2.99Å; D745-R748 VanDerWaalsContact O-N 3.17Å; R748-Y750 VanDerWaalsContact C-N 3.31Å; R748-Y750 PolarHBondContact O-N 2.97Å; R748-R751 PolarHBondContact O-N 2.88Å; R748-Y752 HydrophobicContact CG-CD2 3.8Å; R748-Y752 HydrophobicContact CG-CE2 3.77Å; R748-Y752 WeakPolarHBondContact O-CD2 3.44Å; R748-Y752 PolarHBondContact O-N 3.02Å
749	R	89.2	Confident	87.5	Confident	93 Å²	93	58.5 Å²	58.5	35%	0.351	27%	0.269	S	S	.	.	H	α-helix	trans	-62	-36.4	-179.9	-69.3	167.3	62.7	-170.1	-0.9	112.5	D745 K753 Q754 I755	D745-R749 VanDerWaalsContact CG-CD 3.45Å; D745-R749 WeakPolarHBondContact O-CB 3.07Å; D745-R749 VanDerWaalsContact O-CG 3.28Å; D745-R749 WeakPolarHBondContact O-CG 3.49Å; D745-R749 PolarHBondContact O-N 3.13Å; D745-R749 VanDerWaalsContact OD1-CD 3.28Å; D745-R749 WeakPolarHBondContact OD1-CD 3.33Å; D745-R749 WeakPolarHBondContact OD2-CD 3.26Å; D745-R749 IonicContact OD2-CZ 3.66Å; D745-R749 IonicContact OD2-NE 2.7Å; D745-R749 IonicContact OD2-NH1 2.59Å; D745-R749 PolarHBondContact OD2-NH1 3.01Å; R749-K753 PolarHBondContact O-N 3.41Å; R749-Q754 HydrophobicContact CB-CB 4.37Å; R749-Q754 WeakPolarHBondContact O-CB 3.22Å; R749-Q754 PolarHBondContact O-N 3.45Å; R749-I755 HydrophobicContact CB-CD1 4.09Å; R749-I755 HydrophobicContact CB-CG1 4.2Å
750	Y	90.8	Very high	87.9	Confident	3 Å²	3	58.7 Å²	58.7	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-68.8	-45.5	173.5	-169.9	-114.7	0	0	0	112.6	D699 L746 S747 R748 Y752 K753 I755 A757 Y760 L794 L799 A802 L803	D699-Y750 PolarHBondContact OD2-OH 3.27Å; L746-Y750 PolarHBondContact O-N 3.44Å; L746-Y750 VanDerWaalsContact O-N 3.08Å; S747-Y750 PolarHBondContact O-N 3.33Å; R748-Y750 VanDerWaalsContact C-N 3.31Å; R748-Y750 PolarHBondContact O-N 2.97Å; Y750-Y752 PolarHBondContact O-N 2.7Å; Y750-K753 PolarHBondContact O-N 3.26Å; Y750-I755 HydrophobicContact CD2-CG1 4.23Å; Y750-I755 WeakPolarHBondContact CD2-O 3.38Å; Y750-A757 HydrophobicContact CE2-CB 4.18Å; Y750-Y760 HydrophobicContact CD1-CD1 4.41Å; Y750-Y760 HydrophobicContact CD1-CD2 4.45Å; Y750-Y760 HydrophobicContact CD1-CG 4.27Å; Y750-Y760 HydrophobicContact CD2-CG 4.18Å; Y750-Y760 HydrophobicContact CG-CD1 4.44Å; Y750-Y760 AromaticContact CG-CD2 3.91Å; Y750-Y760 HydrophobicContact CG-CD2 3.91Å; Y750-Y760 AromaticContact CG-CG 3.85Å; Y750-Y760 HydrophobicContact CG-CG 3.85Å; Y750-L794 HydrophobicContact CE1-CD1 4.38Å; Y750-L799 HydrophobicContact CE1-CB 3.82Å; Y750-L799 HydrophobicContact CE1-CD1 4.46Å; Y750-L799 HydrophobicContact CE1-CD2 3.86Å; Y750-L799 HydrophobicContact CE1-CG 4.26Å; Y750-L799 HydrophobicContact CE2-CD2 3.96Å; Y750-L799 WeakPolarHBondContact OH-CA 3.37Å; Y750-L799 PolarHBondContact OH-O 2.94Å; Y750-L799 VanDerWaalsContact OH-O 3.11Å; Y750-A802 WeakPolarHBondContact OH-CB 3.27Å; Y750-L803 HydrophobicContact CD1-CD1 4.11Å; Y750-L803 HydrophobicContact CD1-CD2 4.24Å; Y750-L803 HydrophobicContact CD1-CG 4.34Å; Y750-L803 HydrophobicContact CE1-CD1 3.56Å; Y750-L803 HydrophobicContact CE1-CD2 3.59Å; Y750-L803 HydrophobicContact CE1-CG 3.43Å; Y750-L803 VanDerWaalsContact CE1-CG 3.43Å; Y750-L803 HydrophobicContact CE2-CD2 4.23Å
751	R	88.2	Confident	88	Confident	99 Å²	99	58.3 Å²	58.3	37%	0.374	27%	0.268	S	S	.	.	H	α-helix	trans	-57.6	-35.3	175.7	-172.9	176.3	179.6	177	0.2	112.4	S747 R748 K753	S747-R751 WeakPolarHBondContact O-CB 3.32Å; S747-R751 PolarHBondContact O-N 3.41Å; R748-R751 PolarHBondContact O-N 2.88Å; R751-K753 VanDerWaalsContact C-N 3.34Å
752	Y	86.3	Confident	88	Confident	147 Å²	147	56.7 Å²	56.7	58%	0.576	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	12.2	175.4	-70.2	-66.3	0	0	0	114.9	R748 Y750 Q754	R748-Y752 HydrophobicContact CG-CD2 3.8Å; R748-Y752 HydrophobicContact CG-CE2 3.77Å; R748-Y752 WeakPolarHBondContact O-CD2 3.44Å; R748-Y752 PolarHBondContact O-N 3.02Å; Y750-Y752 PolarHBondContact O-N 2.7Å; Y752-Q754 PolarHBondContact O-N 2.97Å; Y752-Q754 VanDerWaalsContact O-N 3.11Å
753	K	85.5	Confident	88	Confident	70 Å²	70	51 Å²	51	30%	0.304	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	24.9	176.9	-63	173	-177.9	175.8	0	114.1	R749 Y750 R751 D796 L799	R749-K753 PolarHBondContact O-N 3.41Å; Y750-K753 PolarHBondContact O-N 3.26Å; R751-K753 VanDerWaalsContact C-N 3.34Å; K753-D796 WeakPolarHBondContact CE-OD2 3.15Å; K753-D796 IonicContact NZ-OD2 3.42Å; K753-D796 PolarHBondContact NZ-OD2 2.86Å; K753-L799 HydrophobicContact CG-CD2 4.09Å
754	Q	83.8	Confident	87.9	Confident	106 Å²	106	50 Å²	50	50%	0.495	24%	0.239	S	C	.	.	S	Bend	trans	-82.2	-18.7	178.7	-62.8	178.4	-24.3	0	0	112.6	N697 R749 Y752	N697-Q754 PolarHBondContact ND2-O 2.86Å; R749-Q754 HydrophobicContact CB-CB 4.37Å; R749-Q754 WeakPolarHBondContact O-CB 3.22Å; R749-Q754 PolarHBondContact O-N 3.45Å; Y752-Q754 PolarHBondContact O-N 2.97Å; Y752-Q754 VanDerWaalsContact O-N 3.11Å
755	I	85.1	Confident	87.7	Confident	18 Å²	18	49.2 Å²	49.2	9%	0.092	23%	0.231	C	C	.	.	S	Bend	trans	-135.3	150.7	173.6	60.4	178.1	0	0	0	109.3	N697 L746 R749 Y750 A759 Y760	N697-I755 CarbonylContact O-C 3.45Å; L746-I755 HydrophobicContact CD1-CD1 3.72Å; L746-I755 HydrophobicContact CG-CD1 4.42Å; R749-I755 HydrophobicContact CB-CD1 4.09Å; R749-I755 HydrophobicContact CB-CG1 4.2Å; Y750-I755 HydrophobicContact CD2-CG1 4.23Å; Y750-I755 WeakPolarHBondContact CD2-O 3.38Å; I755-A759 HydrophobicContact CB-CB 4.31Å; I755-Y760 HydrophobicContact CD1-CD2 4.25Å
756	N	87.7	Confident	87.4	Confident	34 Å²	34	48.3 Å²	48.3	18%	0.182	24%	0.24	C	C	.	.			trans	-83.3	167.6	176.4	60.6	42.6	0	0	0	112.4	N697 T758 A759 Y760	N697-N756 WeakPolarHBondContact O-CA 3.5Å; N697-N756 WeakPolarHBondContact O-CB 3.18Å; N697-N756 PolarHBondContact O-N 3.45Å; N756-T758 VanDerWaalsContact C-N 3.25Å; N756-T758 PolarHBondContact O-N 2.94Å; N756-T758 PolarHBondContact OD1-N 3.48Å; N756-T758 PolarHBondContact OD1-OG1 3.2Å; N756-A759 PolarHBondContact O-N 2.85Å; N756-A759 WeakPolarHBondContact OD1-CB 3.08Å; N756-A759 PolarHBondContact OD1-N 3.4Å; N756-Y760 PolarHBondContact O-N 2.91Å
757	A	88.5	Confident	87.1	Confident	2 Å²	2	48.6 Å²	48.6	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-58.4	-33.6	-177.7	0	0	0	0	0	113.8	D699 Y750 L761 A802 L803 A806	D699-A757 PolarHBondContact OD1-N 2.93Å; D699-A757 WeakPolarHBondContact OD2-CB 3.41Å; D699-A757 PolarHBondContact OD2-N 2.88Å; Y750-A757 HydrophobicContact CE2-CB 4.18Å; A757-L761 WeakPolarHBondContact O-CB 3.37Å; A757-L761 PolarHBondContact O-N 2.86Å; A757-A802 VanDerWaalsContact CB-C 3.45Å; A757-A802 HydrophobicContact CB-CB 3.76Å; A757-A802 WeakPolarHBondContact CB-O 3.31Å; A757-L803 HydrophobicContact CB-CD2 3.86Å; A757-A806 HydrophobicContact CB-CB 4.03Å
758	T	86.3	Confident	86.5	Confident	31 Å²	31	47.5 Å²	47.5	19%	0.19	23%	0.234	C	C	.	.	H	α-helix	trans	-67.2	-48.3	175.6	30.5	0	0	0	0	112.1	N756 Y760 L761 E762 A806	N756-T758 VanDerWaalsContact C-N 3.25Å; N756-T758 PolarHBondContact O-N 2.94Å; N756-T758 PolarHBondContact OD1-N 3.48Å; N756-T758 PolarHBondContact OD1-OG1 3.2Å; T758-Y760 VanDerWaalsContact C-N 3.32Å; T758-Y760 PolarHBondContact O-N 3.35Å; T758-L761 PolarHBondContact O-N 2.97Å; T758-E762 WeakPolarHBondContact O-CB 3.44Å; T758-E762 WeakPolarHBondContact O-CG 3Å; T758-E762 PolarHBondContact O-N 3.11Å; T758-A806 HydrophobicContact CG2-CB 4.47Å
759	A	86.5	Confident	85.4	Confident	34 Å²	34	45.4 Å²	45.4	28%	0.281	24%	0.235	S	C	.	.	H	α-helix	trans	-66.6	-33.5	178	0	0	0	0	0	112.4	I755 N756 G763	I755-A759 HydrophobicContact CB-CB 4.31Å; N756-A759 PolarHBondContact O-N 2.85Å; N756-A759 WeakPolarHBondContact OD1-CB 3.08Å; N756-A759 PolarHBondContact OD1-N 3.4Å; A759-G763 PolarHBondContact O-N 3.31Å
760	Y	90.9	Very high	84	Confident	7 Å²	7	41.5 Å²	41.5	3%	0.027	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-48.3	170.9	-179.1	-102	0	0	0	111.7	L746 S747 Y750 I755 N756 T758 E762 G763 L764 M790 L803	L746-Y760 HydrophobicContact CB-CE2 4.43Å; L746-Y760 HydrophobicContact CD1-CD2 4.4Å; L746-Y760 HydrophobicContact CD2-CD2 4.14Å; L746-Y760 HydrophobicContact CD2-CE2 4.14Å; L746-Y760 HydrophobicContact CG-CD2 3.66Å; L746-Y760 HydrophobicContact CG-CE2 3.83Å; L746-Y760 WeakPolarHBondContact O-CD2 3.22Å; S747-Y760 PolarHBondContact OG-OH 2.88Å; Y750-Y760 HydrophobicContact CD1-CD1 4.41Å; Y750-Y760 HydrophobicContact CD1-CD2 4.45Å; Y750-Y760 HydrophobicContact CD1-CG 4.27Å; Y750-Y760 HydrophobicContact CD2-CG 4.18Å; Y750-Y760 HydrophobicContact CG-CD1 4.44Å; Y750-Y760 AromaticContact CG-CD2 3.91Å; Y750-Y760 HydrophobicContact CG-CD2 3.91Å; Y750-Y760 AromaticContact CG-CG 3.85Å; Y750-Y760 HydrophobicContact CG-CG 3.85Å; I755-Y760 HydrophobicContact CD1-CD2 4.25Å; N756-Y760 PolarHBondContact O-N 2.91Å; T758-Y760 VanDerWaalsContact C-N 3.32Å; T758-Y760 PolarHBondContact O-N 3.35Å; Y760-E762 PolarHBondContact O-N 3.12Å; Y760-G763 PolarHBondContact O-N 3.3Å; Y760-L764 HydrophobicContact CD1-CD1 3.98Å; Y760-L764 HydrophobicContact CD1-CG 4.29Å; Y760-L764 HydrophobicContact CE1-CD1 3.38Å; Y760-L764 HydrophobicContact CE1-CD2 4.46Å; Y760-L764 HydrophobicContact CE1-CG 3.91Å; Y760-L764 HydrophobicContact CE2-CD2 4.49Å; Y760-L764 HydrophobicContact CE2-CG 4.48Å; Y760-L764 PolarHBondContact O-N 2.8Å; Y760-M790 HydrophobicContact CE1-CE 3.87Å; Y760-M790 PolarHBondContact OH-SD 2.95Å; Y760-L803 HydrophobicContact CD1-CD1 4.17Å; Y760-L803 HydrophobicContact CD1-CD2 3.41Å; Y760-L803 VanDerWaalsContact CD1-CD2 3.41Å; Y760-L803 HydrophobicContact CD1-CG 4.46Å; Y760-L803 HydrophobicContact CE1-CD1 3.99Å; Y760-L803 HydrophobicContact CE1-CD2 4.07Å; Y760-L803 HydrophobicContact CG-CD2 4.21Å
761	L	88	Confident	82.1	Confident	6 Å²	6	47 Å²	47	3%	0.031	25%	0.25	C	S	.	.	H	α-helix	trans	-66.4	-36.8	179.2	-174	60.5	0	0	0	112.4	A757 T758 L764 V765 A806 L807 L838 W843	A757-L761 WeakPolarHBondContact O-CB 3.37Å; A757-L761 PolarHBondContact O-N 2.86Å; T758-L761 PolarHBondContact O-N 2.97Å; L761-L764 PolarHBondContact O-N 2.91Å; L761-V765 WeakPolarHBondContact O-CG2 3.48Å; L761-V765 PolarHBondContact O-N 3.32Å; L761-A806 HydrophobicContact CD2-CB 3.97Å; L761-L807 HydrophobicContact CD1-CD2 3.66Å; L761-L807 HydrophobicContact CD1-CG 4.39Å; L761-L807 HydrophobicContact CD2-CD2 3.98Å; L761-L807 HydrophobicContact CD2-CG 4.33Å; L761-L838 HydrophobicContact CB-CD2 4.24Å; L761-L838 HydrophobicContact CD2-CD2 3.93Å; L761-L838 HydrophobicContact CG-CD2 3.72Å; L761-W843 HydrophobicContact CD1-CH2 4.02Å
762	E	85.5	Confident	80.2	Confident	56 Å²	56	48 Å²	48	26%	0.262	27%	0.267	S	S	.	.	H	α-helix	trans	-58.1	-47.3	170.5	-80.7	163	-154.3	0	0	111.7	T758 Y760 V765 G766 I837 L838	T758-E762 WeakPolarHBondContact O-CB 3.44Å; T758-E762 WeakPolarHBondContact O-CG 3Å; T758-E762 PolarHBondContact O-N 3.11Å; Y760-E762 PolarHBondContact O-N 3.12Å; E762-V765 PolarHBondContact O-N 2.67Å; E762-G766 PolarHBondContact O-N 2.91Å; E762-I837 VanDerWaalsContact OE1-CG2 3.32Å; E762-I837 WeakPolarHBondContact OE1-CG2 3.16Å; E762-L838 HydrophobicContact CG-CB 4.26Å; E762-L838 HydrophobicContact CG-CD1 3.85Å; E762-L838 HydrophobicContact CG-CD2 4.04Å; E762-L838 HydrophobicContact CG-CG 4.25Å
763	G	86	Confident	78.4	Confident	21 Å²	21	43.1 Å²	43.1	22%	0.216	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-42.9	174.8	0	0	0	0	0	113	L746 A759 Y760 G766 L767	L746-G763 VanDerWaalsContact CD2-C 3.47Å; A759-G763 PolarHBondContact O-N 3.31Å; Y760-G763 PolarHBondContact O-N 3.3Å; G763-G766 PolarHBondContact O-N 2.92Å; G763-L767 WeakPolarHBondContact O-CG 3.42Å; G763-L767 PolarHBondContact O-N 3.1Å
764	L	87.6	Confident	76.7	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-46.5	176.6	-72.5	-173.7	0	0	0	112.3	F743 L746 Y760 L761 G766 L767 L768 I787 M790	F743-L764 HydrophobicContact CD2-CD2 3.45Å; F743-L764 VanDerWaalsContact CD2-CD2 3.45Å; F743-L764 HydrophobicContact CE2-CD2 3.55Å; L746-L764 HydrophobicContact CD2-CD2 3.95Å; L746-L764 HydrophobicContact CD2-CG 4.14Å; Y760-L764 HydrophobicContact CD1-CD1 3.98Å; Y760-L764 HydrophobicContact CD1-CG 4.29Å; Y760-L764 HydrophobicContact CE1-CD1 3.38Å; Y760-L764 HydrophobicContact CE1-CD2 4.46Å; Y760-L764 HydrophobicContact CE1-CG 3.91Å; Y760-L764 HydrophobicContact CE2-CD2 4.49Å; Y760-L764 HydrophobicContact CE2-CG 4.48Å; Y760-L764 PolarHBondContact O-N 2.8Å; L761-L764 PolarHBondContact O-N 2.91Å; L764-G766 VanDerWaalsContact C-N 3.27Å; L764-G766 PolarHBondContact O-N 3.24Å; L764-L767 PolarHBondContact O-N 3.1Å; L764-L768 WeakPolarHBondContact O-CB 3.28Å; L764-L768 WeakPolarHBondContact O-CD1 3.42Å; L764-L768 WeakPolarHBondContact O-CG 3.37Å; L764-L768 PolarHBondContact O-N 3.21Å; L764-I787 HydrophobicContact CD1-CD1 4.41Å; L764-M790 HydrophobicContact CD1-CE 4.18Å
765	V	85.4	Confident	75.3	Confident	16 Å²	16	45 Å²	45	10%	0.097	27%	0.27	C	S	.	.	H	α-helix	trans	-60.9	-39.6	177.3	171	0	0	0	0	110.7	L761 E762 N769 N771 L838 P841 W843	L761-V765 WeakPolarHBondContact O-CG2 3.48Å; L761-V765 PolarHBondContact O-N 3.32Å; E762-V765 PolarHBondContact O-N 2.67Å; V765-N769 PolarHBondContact O-N 3.11Å; V765-N771 WeakPolarHBondContact CG1-OD1 3.25Å; V765-L838 HydrophobicContact CG2-CD2 4.37Å; V765-P841 HydrophobicContact CG2-CB 4.2Å; V765-P841 HydrophobicContact CG2-CG 3.67Å; V765-W843 HydrophobicContact CG2-CZ2 4.05Å
766	G	83.2	Confident	73.8	Confident	59 Å²	59	51.2 Å²	51.2	61%	0.608	30%	0.303	S	S	*	.	H	α-helix	trans	-66.3	-30.6	175.1	0	0	0	0	0	114.9	E762 G763 L764	E762-G766 PolarHBondContact O-N 2.91Å; G763-G766 PolarHBondContact O-N 2.92Å; L764-G766 VanDerWaalsContact C-N 3.27Å; L764-G766 PolarHBondContact O-N 3.24Å
767	L	83.4	Confident	72.2	Confident	24 Å²	24	53.9 Å²	53.9	13%	0.126	32%	0.317	C	S	.	.	H	α-helix	trans	-80	-39	176	-71.3	170.7	0	0	0	112.9	S735 R742 F743 L746 G763 L764	S735-L767 PolarHBondContact OG-O 3.14Å; R742-L767 HydrophobicContact CB-CD1 4.12Å; R742-L767 HydrophobicContact CB-CD2 3.55Å; R742-L767 HydrophobicContact CB-CG 4.48Å; R742-L767 HydrophobicContact CG-CD2 4.34Å; F743-L767 HydrophobicContact CB-CD1 4.12Å; L746-L767 HydrophobicContact CD2-CD1 4.07Å; G763-L767 WeakPolarHBondContact O-CG 3.42Å; G763-L767 PolarHBondContact O-N 3.1Å; L764-L767 PolarHBondContact O-N 3.1Å
768	L	79.2	Confident	70.6	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.031	35%	0.353	C	S	.	.	H	α-helix	trans	-75.9	-28.5	-179.3	-74.3	165.4	0	0	0	112.6	L731 L764 V770 P784 W786 I787 W843	L731-L768 HydrophobicContact CD2-CD2 3.93Å; L731-L768 HydrophobicContact CD2-CG 4.5Å; L764-L768 WeakPolarHBondContact O-CB 3.28Å; L764-L768 WeakPolarHBondContact O-CD1 3.42Å; L764-L768 WeakPolarHBondContact O-CG 3.37Å; L764-L768 PolarHBondContact O-N 3.21Å; L768-V770 HydrophobicContact CB-CG2 3.99Å; L768-V770 VanDerWaalsContact O-CG2 3.32Å; L768-V770 WeakPolarHBondContact O-CG2 3.43Å; L768-V770 PolarHBondContact O-N 3.4Å; L768-V770 VanDerWaalsContact O-N 3.12Å; L768-P784 HydrophobicContact CD1-CB 4.16Å; L768-P784 HydrophobicContact CD1-CG 4.04Å; L768-P784 HydrophobicContact CD2-CB 4.25Å; L768-W786 HydrophobicContact CD2-CZ2 4.05Å; L768-I787 HydrophobicContact CD1-CD1 4.09Å; L768-W843 HydrophobicContact CD1-CZ2 4.27Å
769	N	67	Low	69.4	Low	119 Å²	119	61.7 Å²	61.7	64%	0.636	36%	0.362	S	S	*	.			trans	60.4	17.6	176.4	-161.9	35	0	0	0	115.1	V765 N771	V765-N769 PolarHBondContact O-N 3.11Å; N769-N771 PolarHBondContact O-N 3.03Å
770	V	58.9	Low	68.3	Low	10 Å²	10	63.7 Å²	63.7	6%	0.061	37%	0.368	C	S	.	.			trans	-79.4	37.1	-174.5	-165.9	0	0	0	0	112.5	L768 T772 V773	L768-V770 HydrophobicContact CB-CG2 3.99Å; L768-V770 VanDerWaalsContact O-CG2 3.32Å; L768-V770 WeakPolarHBondContact O-CG2 3.43Å; L768-V770 PolarHBondContact O-N 3.4Å; L768-V770 VanDerWaalsContact O-N 3.12Å; V770-T772 PolarHBondContact O-N 3.34Å; V770-V773 HydrophobicContact CG1-CB 4.16Å; V770-V773 HydrophobicContact CG1-CG2 3.39Å
771	N	51	Low	67.2	Low	119 Å²	119	70 Å²	70	64%	0.636	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	4.4	179.3	-73.1	-12.8	0	0	0	113.4	V765 N769	V765-N771 WeakPolarHBondContact CG1-OD1 3.25Å; N769-N771 PolarHBondContact O-N 3.03Å
772	T	48.4	Very low	66.4	Low	119 Å²	119	73.4 Å²	73.4	73%	0.73	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-5.5	-174	48.9	0	0	0	0	114.5	V770 N774	V770-T772 PolarHBondContact O-N 3.34Å; T772-N774 PolarHBondContact O-N 2.82Å
773	V	49.5	Very low	66.2	Low	46 Å²	46	71.7 Å²	71.7	28%	0.279	41%	0.413	S	S	.	.			trans	-75.4	112.3	178.8	173.9	0	0	0	0	109.9	V770 N782 P842	V770-V773 HydrophobicContact CG1-CB 4.16Å; V770-V773 HydrophobicContact CG1-CG2 3.39Å; V773-N782 HydrophobicContact CG2-CB 4.18Å; V773-P842 HydrophobicContact CB-CG 4.3Å
774	N	49.2	Very low	66.1	Low	105 Å²	105	70.7 Å²	70.7	56%	0.561	40%	0.403	S	S	*	.			trans	-65.8	142.2	167.1	-68.6	-59.6	0	0	0	109.5	T772 N776 D777	T772-N774 PolarHBondContact O-N 2.82Å; N774-N776 PolarHBondContact O-N 2.94Å; N774-D777 PolarHBondContact O-N 2.84Å
775	D	53.3	Low	66.2	Low	111 Å²	111	74.6 Å²	74.6	59%	0.594	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	0.7	176.2	-116.2	-12.9	0	0	0	114.2	K845	D775-K845 IonicContact OD1-NZ 2.7Å; D775-K845 PolarHBondContact OD1-NZ 2.92Å; D775-K845 IonicContact OD2-NZ 2.72Å; D775-K845 PolarHBondContact OD2-NZ 3.33Å
776	N	54.5	Low	66.4	Low	147 Å²	147	74.6 Å²	74.6	79%	0.786	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	-4.3	-174.1	-60.8	-38.1	0	0	0	114.4	N774	N774-N776 PolarHBondContact O-N 2.94Å
777	D	54	Low	66.7	Low	90 Å²	90	71.9 Å²	71.9	48%	0.481	39%	0.388	S	S	.	.			trans	-85.1	112.3	172.5	-86.9	-57.9	0	0	0	109.3	N774 S779	N774-D777 PolarHBondContact O-N 2.84Å; D777-S779 PolarHBondContact O-N 3.45Å
778	D	55.1	Low	67	Low	144 Å²	144	70.7 Å²	70.7	77%	0.77	38%	0.382	S	S	*	.			trans	-78.8	7.7	178.8	-87	-40.9	0	0	0	113.7	D780	D778-D780 PolarHBondContact O-N 2.78Å
779	S	61.2	Low	67.5	Low	54 Å²	54	72.3 Å²	72.3	38%	0.378	39%	0.392	S	S	.	.			trans	-69.9	97.3	171.8	45.4	0	0	0	0	111.1	D777 D781	D777-S779 PolarHBondContact O-N 3.45Å; S779-D781 PolarHBondContact O-N 2.74Å; S779-D781 VanDerWaalsContact O-N 3.16Å
780	D	64.2	Low	68.6	Low	76 Å²	76	67.4 Å²	67.4	41%	0.406	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-65.5	-14.2	-179.6	-88.8	-29.5	0	0	0	113.6	D778 N782 I783 Y785 K846	D778-D780 PolarHBondContact O-N 2.78Å; D780-N782 PolarHBondContact O-N 3.13Å; D780-I783 HydrophobicContact CB-CD1 4.15Å; D780-I783 WeakPolarHBondContact O-CB 3.41Å; D780-I783 WeakPolarHBondContact O-CG1 3.36Å; D780-I783 PolarHBondContact O-N 2.98Å; D780-I783 VanDerWaalsContact O-N 3.13Å; D780-I783 WeakPolarHBondContact OD1-CD1 3.37Å; D780-Y785 HydrophobicContact CB-CE2 4.33Å; D780-Y785 PolarHBondContact OD1-OH 3.02Å; D780-K846 IonicContact OD1-NZ 3.25Å; D780-K846 PolarHBondContact OD1-NZ 3.39Å
781	D	66.2	Low	70.2	Confident	140 Å²	140	67 Å²	67	75%	0.749	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-56	-25.4	-174.4	-47.9	-53.6	0	0	0	114.8	S779	S779-D781 PolarHBondContact O-N 2.74Å; S779-D781 VanDerWaalsContact O-N 3.16Å
782	N	71.2	Confident	72.1	Confident	76 Å²	76	61.6 Å²	61.6	41%	0.406	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-92.8	2.5	-176.6	-76.2	-73.9	0	0	0	114.5	V773 D780	V773-N782 HydrophobicContact CG2-CB 4.18Å; D780-N782 PolarHBondContact O-N 3.13Å
783	I	81.1	Confident	74.1	Confident	20 Å²	20	56 Å²	56	10%	0.103	30%	0.301	C	S	.	.			trans	-96.1	125.1	-169	-58.2	165.7	0	0	0	111	D780 Y785 W843 K846 V847	D780-I783 HydrophobicContact CB-CD1 4.15Å; D780-I783 WeakPolarHBondContact O-CB 3.41Å; D780-I783 WeakPolarHBondContact O-CG1 3.36Å; D780-I783 PolarHBondContact O-N 2.98Å; D780-I783 VanDerWaalsContact O-N 3.13Å; D780-I783 WeakPolarHBondContact OD1-CD1 3.37Å; I783-Y785 HydrophobicContact CB-CD2 3.82Å; I783-Y785 HydrophobicContact CB-CE2 3.62Å; I783-Y785 HydrophobicContact CD1-CE2 3.78Å; I783-Y785 WeakPolarHBondContact CD1-OH 3.29Å; I783-Y785 HydrophobicContact CG1-CE2 4.35Å; I783-Y785 HydrophobicContact CG2-CD1 4.07Å; I783-Y785 HydrophobicContact CG2-CD2 3.71Å; I783-Y785 HydrophobicContact CG2-CE1 3.97Å; I783-Y785 HydrophobicContact CG2-CE2 3.62Å; I783-Y785 HydrophobicContact CG2-CG 3.94Å; I783-Y785 PolarHBondContact O-N 3.05Å; I783-W843 HydrophobicContact CG1-CB 4.42Å; I783-W843 HydrophobicContact CG2-CB 4.05Å; I783-K846 HydrophobicContact CD1-CB 4.33Å; I783-K846 HydrophobicContact CD1-CD 3.24Å; I783-K846 HydrophobicContact CD1-CG 4.39Å; I783-K846 HydrophobicContact CG1-CD 4.44Å; I783-K846 HydrophobicContact CG2-CB 4.44Å; I783-V847 HydrophobicContact CG2-CG2 4.09Å
784	P	85.2	Confident	76	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.292	C	S	.	.			trans	-76.9	66.1	176.9	35.2	-39.1	0	0	0	111.5	L768 W786 I787 W843	L768-P784 HydrophobicContact CD1-CB 4.16Å; L768-P784 HydrophobicContact CD1-CG 4.04Å; L768-P784 HydrophobicContact CD2-CB 4.25Å; P784-W786 HydrophobicContact CB-CD2 4.42Å; P784-W786 HydrophobicContact CB-CZ2 4.26Å; P784-W786 PolarHBondContact O-N 3.3Å; P784-W786 VanDerWaalsContact O-N 3.1Å; P784-I787 HydrophobicContact CB-CD1 3.76Å; P784-I787 HydrophobicContact CB-CG1 4.07Å; P784-I787 HydrophobicContact CG-CD1 3.64Å; P784-I787 HydrophobicContact CG-CG1 4.41Å; P784-I787 WeakPolarHBondContact O-CB 3.39Å; P784-I787 PolarHBondContact O-N 3.03Å; P784-W843 HydrophobicContact CG-CD2 3.73Å; P784-W843 HydrophobicContact CG-CE3 3.87Å; P784-W843 HydrophobicContact CG-CG 4.15Å; P784-W843 HydrophobicContact CG-CH2 4.44Å; P784-W843 HydrophobicContact CG-CZ2 4.3Å; P784-W843 HydrophobicContact CG-CZ3 4.23Å
785	Y	88.1	Confident	77.7	Confident	85 Å²	85	51.5 Å²	51.5	33%	0.333	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.3	179.1	-78.3	-70.5	0	0	0	113	D780 I783 I787 G788 P789 K846 T850	D780-Y785 HydrophobicContact CB-CE2 4.33Å; D780-Y785 PolarHBondContact OD1-OH 3.02Å; I783-Y785 HydrophobicContact CB-CD2 3.82Å; I783-Y785 HydrophobicContact CB-CE2 3.62Å; I783-Y785 HydrophobicContact CD1-CE2 3.78Å; I783-Y785 WeakPolarHBondContact CD1-OH 3.29Å; I783-Y785 HydrophobicContact CG1-CE2 4.35Å; I783-Y785 HydrophobicContact CG2-CD1 4.07Å; I783-Y785 HydrophobicContact CG2-CD2 3.71Å; I783-Y785 HydrophobicContact CG2-CE1 3.97Å; I783-Y785 HydrophobicContact CG2-CE2 3.62Å; I783-Y785 HydrophobicContact CG2-CG 3.94Å; I783-Y785 PolarHBondContact O-N 3.05Å; Y785-I787 PolarHBondContact O-N 2.95Å; Y785-G788 PolarHBondContact O-N 3.47Å; Y785-G788 VanDerWaalsContact O-N 3.13Å; Y785-P789 VanDerWaalsContact O-CD 3.28Å; Y785-P789 WeakPolarHBondContact O-CD 3.47Å; Y785-K846 HydrophobicContact CE1-CB 4.23Å; Y785-T850 HydrophobicContact CD1-CG2 4.11Å; Y785-T850 HydrophobicContact CE1-CG2 4.48Å
786	W	89.6	Confident	79.4	Confident	16 Å²	16	48.3 Å²	48.3	6%	0.061	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.2	174.6	59.4	-108.6	0	0	0	114.6	L723 T726 V727 D730 F743 L768 P784 G788 P789 M790	L723-W786 HydrophobicContact CD1-CB 3.95Å; L723-W786 HydrophobicContact CD1-CE3 4.48Å; L723-W786 WeakPolarHBondContact CD1-O 3.39Å; T726-W786 HydrophobicContact CG2-CB 3.92Å; T726-W786 HydrophobicContact CG2-CG 4.35Å; V727-W786 HydrophobicContact CG1-CH2 4.25Å; V727-W786 HydrophobicContact CG1-CZ2 4.44Å; V727-W786 HydrophobicContact CG1-CZ3 4.49Å; V727-W786 HydrophobicContact CG2-CD2 3.61Å; V727-W786 HydrophobicContact CG2-CE3 3.43Å; V727-W786 VanDerWaalsContact CG2-CE3 3.43Å; V727-W786 HydrophobicContact CG2-CG 4.12Å; V727-W786 HydrophobicContact CG2-CH2 4.15Å; V727-W786 HydrophobicContact CG2-CZ2 4.29Å; V727-W786 HydrophobicContact CG2-CZ3 3.74Å; D730-W786 PolarHBondContact OD2-NE1 3.3Å; F743-W786 HydrophobicContact CD2-CH2 4.06Å; F743-W786 AromaticContact CE2-CH2 3.59Å; F743-W786 HydrophobicContact CE2-CH2 3.59Å; F743-W786 AromaticContact CE2-CZ3 3.62Å; F743-W786 HydrophobicContact CE2-CZ3 3.62Å; F743-W786 HydrophobicContact CZ-CH2 4.24Å; F743-W786 AromaticContact CZ-CZ3 3.93Å; F743-W786 HydrophobicContact CZ-CZ3 3.93Å; L768-W786 HydrophobicContact CD2-CZ2 4.05Å; P784-W786 HydrophobicContact CB-CD2 4.42Å; P784-W786 HydrophobicContact CB-CZ2 4.26Å; P784-W786 PolarHBondContact O-N 3.3Å; P784-W786 VanDerWaalsContact O-N 3.1Å; W786-G788 PolarHBondContact O-N 3.18Å; W786-P789 VanDerWaalsContact O-CD 3.32Å; W786-P789 WeakPolarHBondContact O-CD 3.31Å; W786-M790 HydrophobicContact CE3-SD 4.39Å; W786-M790 HydrophobicContact CZ3-SD 3.79Å; W786-M790 WeakPolarHBondContact O-CB 3.48Å; W786-M790 PolarHBondContact O-N 3.22Å
787	I	90	Very high	81	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-62.8	-29.5	174	-69.4	177	0	0	0	111.5	L764 L768 P784 Y785 M790 I791 L807 W843 V847	L764-I787 HydrophobicContact CD1-CD1 4.41Å; L768-I787 HydrophobicContact CD1-CD1 4.09Å; P784-I787 HydrophobicContact CB-CD1 3.76Å; P784-I787 HydrophobicContact CB-CG1 4.07Å; P784-I787 HydrophobicContact CG-CD1 3.64Å; P784-I787 HydrophobicContact CG-CG1 4.41Å; P784-I787 WeakPolarHBondContact O-CB 3.39Å; P784-I787 PolarHBondContact O-N 3.03Å; Y785-I787 PolarHBondContact O-N 2.95Å; I787-M790 HydrophobicContact CG2-CE 4.1Å; I787-I791 HydrophobicContact CG2-CD1 3.92Å; I787-I791 HydrophobicContact CG2-CG1 4.44Å; I787-I791 WeakPolarHBondContact O-CG1 3.48Å; I787-I791 PolarHBondContact O-N 3.22Å; I787-L807 HydrophobicContact CG2-CD1 4.19Å; I787-W843 HydrophobicContact CD1-CH2 3.47Å; I787-W843 VanDerWaalsContact CD1-CH2 3.47Å; I787-W843 HydrophobicContact CD1-CZ2 4.2Å; I787-W843 HydrophobicContact CD1-CZ3 3.66Å; I787-V847 HydrophobicContact CB-CG1 4.18Å; I787-V847 HydrophobicContact CG2-CG1 4.17Å
788	G	90.2	Very high	82.7	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.9	-59.4	174.5	0	0	0	0	0	112.3	Y785 W786 M790 I791 S792	Y785-G788 PolarHBondContact O-N 3.47Å; Y785-G788 VanDerWaalsContact O-N 3.13Å; W786-G788 PolarHBondContact O-N 3.18Å; G788-M790 VanDerWaalsContact C-N 3.31Å; G788-M790 PolarHBondContact O-N 3.12Å; G788-I791 PolarHBondContact O-N 2.67Å; G788-S792 PolarHBondContact O-N 3.27Å
789	P	90.1	Very high	84.4	Confident	40 Å²	40	30.5 Å²	30.5	26%	0.26	16%	0.164	S	C	.	.	H	α-helix	trans	-51.2	-47.3	171.5	-29.5	33.8	0	0	0	113.1	L723 Y785 W786 I791 S792 L793 L862	L723-P789 HydrophobicContact CD1-CB 4.36Å; Y785-P789 VanDerWaalsContact O-CD 3.28Å; Y785-P789 WeakPolarHBondContact O-CD 3.47Å; W786-P789 VanDerWaalsContact O-CD 3.32Å; W786-P789 WeakPolarHBondContact O-CD 3.31Å; P789-I791 VanDerWaalsContact C-N 3.33Å; P789-I791 PolarHBondContact O-N 2.92Å; P789-S792 WeakPolarHBondContact CA-OG 3.14Å; P789-S792 PolarHBondContact O-N 2.83Å; P789-S792 VanDerWaalsContact O-N 3.08Å; P789-S792 PolarHBondContact O-OG 2.82Å; P789-L793 WeakPolarHBondContact O-CG 3.17Å; P789-L793 PolarHBondContact O-N 3.47Å; P789-L862 HydrophobicContact CG-CD1 4.12Å; P789-L862 HydrophobicContact CG-CD2 4.44Å
790	M	90.6	Very high	85.9	Confident	16 Å²	16	27.9 Å²	27.9	8%	0.079	15%	0.146	C	C	.	.	H	α-helix	trans	-53.8	-45.2	178.2	-176.4	-161.2	76.6	0	0	113	L723 F743 Y760 L764 W786 I787 G788 L803	L723-M790 HydrophobicContact CD1-CB 4.31Å; L723-M790 HydrophobicContact CD2-CB 3.95Å; L723-M790 HydrophobicContact CD2-CG 4.48Å; F743-M790 HydrophobicContact CE2-SD 3.87Å; F743-M790 HydrophobicContact CZ-SD 3.73Å; Y760-M790 HydrophobicContact CE1-CE 3.87Å; Y760-M790 PolarHBondContact OH-SD 2.95Å; L764-M790 HydrophobicContact CD1-CE 4.18Å; W786-M790 HydrophobicContact CE3-SD 4.39Å; W786-M790 HydrophobicContact CZ3-SD 3.79Å; W786-M790 WeakPolarHBondContact O-CB 3.48Å; W786-M790 PolarHBondContact O-N 3.22Å; I787-M790 HydrophobicContact CG2-CE 4.1Å; G788-M790 VanDerWaalsContact C-N 3.31Å; G788-M790 PolarHBondContact O-N 3.12Å; M790-L803 HydrophobicContact CE-CD1 4.44Å
791	I	91.7	Very high	87.2	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-67.6	-45.1	176.3	-68.8	171.1	0	0	0	110.6	I787 G788 P789 L793 L794 Q800 L803 L807 M851 V860	I787-I791 HydrophobicContact CG2-CD1 3.92Å; I787-I791 HydrophobicContact CG2-CG1 4.44Å; I787-I791 WeakPolarHBondContact O-CG1 3.48Å; I787-I791 PolarHBondContact O-N 3.22Å; G788-I791 PolarHBondContact O-N 2.67Å; P789-I791 VanDerWaalsContact C-N 3.33Å; P789-I791 PolarHBondContact O-N 2.92Å; I791-L793 PolarHBondContact O-N 2.95Å; I791-L794 PolarHBondContact O-N 3.06Å; I791-Q800 HydrophobicContact CG2-CB 4.34Å; I791-Q800 WeakPolarHBondContact O-CG 3.34Å; I791-L803 HydrophobicContact CD1-CB 4Å; I791-L803 HydrophobicContact CD1-CD1 4.43Å; I791-L803 HydrophobicContact CG1-CB 4.17Å; I791-L803 HydrophobicContact CG1-CD1 3.85Å; I791-L807 HydrophobicContact CD1-CD1 3.34Å; I791-M851 HydrophobicContact CB-SD 4.01Å; I791-M851 HydrophobicContact CD1-CE 4.22Å; I791-M851 HydrophobicContact CD1-SD 4.2Å; I791-M851 HydrophobicContact CG2-SD 4.06Å; I791-V860 HydrophobicContact CG2-CB 4.34Å; I791-V860 HydrophobicContact CG2-CG1 4.03Å
792	S	90.5	Very high	88.2	Confident	5 Å²	5	19.6 Å²	19.6	4%	0.035	10%	0.099	C	C	.	.	H	α-helix	trans	-64.5	-23.6	-176.2	69.2	0	0	0	0	114.7	G788 P789 Q800 V860	G788-S792 PolarHBondContact O-N 3.27Å; P789-S792 WeakPolarHBondContact CA-OG 3.14Å; P789-S792 PolarHBondContact O-N 2.83Å; P789-S792 VanDerWaalsContact O-N 3.08Å; P789-S792 PolarHBondContact O-OG 2.82Å; S792-Q800 PolarHBondContact O-NE2 3.32Å; S792-V860 WeakPolarHBondContact CA-O 3.3Å
793	L	89.8	Confident	89.1	Confident	2 Å²	2	16.3 Å²	16.3	1%	0.01	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-3.1	-178.2	-61.1	179.2	0	0	0	114.2	L407 P713 M716 R719 L723 P789 I791 P795	L407-L793 HydrophobicContact CD1-CB 3.49Å; L407-L793 VanDerWaalsContact CD1-CB 3.49Å; L407-L793 HydrophobicContact CD1-CD1 4.39Å; P713-L793 HydrophobicContact CG-CD2 4.09Å; M716-L793 HydrophobicContact CG-CD2 3.94Å; R719-L793 HydrophobicContact CB-CD1 4.05Å; L723-L793 HydrophobicContact CD2-CD1 4.27Å; P789-L793 WeakPolarHBondContact O-CG 3.17Å; P789-L793 PolarHBondContact O-N 3.47Å; I791-L793 PolarHBondContact O-N 2.95Å; L793-P795 WeakPolarHBondContact O-CD 3.49Å
794	L	89.4	Confident	89.6	Confident	20 Å²	20	16.1 Å²	16.1	11%	0.105	8%	0.081	C	C	.	.			trans	-66.5	123.7	176.3	-81.2	167.5	0	0	0	110.8	Y750 I791 D796 Q800 L803	Y750-L794 HydrophobicContact CE1-CD1 4.38Å; I791-L794 PolarHBondContact O-N 3.06Å; L794-D796 PolarHBondContact O-N 3.38Å; L794-Q800 HydrophobicContact CB-CG 3.95Å; L794-Q800 PolarHBondContact O-NE2 3.49Å; L794-L803 HydrophobicContact CD1-CD1 3.63Å
795	P	85.7	Confident	89.6	Confident	36 Å²	36	18.6 Å²	18.6	23%	0.234	9%	0.09	C	C	.	.	S	Bend	trans	-70.2	-0.2	-174.4	-24.3	35.9	0	0	0	117.4	L407 Y710 L793	L407-P795 HydrophobicContact CB-CG 4.46Å; Y710-P795 VanDerWaalsContact CB-O 3.23Å; Y710-P795 WeakPolarHBondContact CB-O 3.47Å; Y710-P795 HydrophobicContact CD1-CB 4.13Å; Y710-P795 HydrophobicContact CE1-CB 4.49Å; L793-P795 WeakPolarHBondContact O-CD 3.49Å
796	D	88.1	Confident	89.5	Confident	43 Å²	43	15.2 Å²	15.2	23%	0.23	8%	0.08	C	C	.	.			trans	-118.1	110.9	179.2	-176.8	-34.8	0	0	0	109.4	K753 L794 G798 L799 Q800	K753-D796 WeakPolarHBondContact CE-OD2 3.15Å; K753-D796 IonicContact NZ-OD2 3.42Å; K753-D796 PolarHBondContact NZ-OD2 2.86Å; L794-D796 PolarHBondContact O-N 3.38Å; D796-G798 PolarHBondContact O-N 2.95Å; D796-G798 VanDerWaalsContact OD1-CA 3.29Å; D796-G798 WeakPolarHBondContact OD1-CA 3.44Å; D796-G798 PolarHBondContact OD1-N 3.18Å; D796-L799 HydrophobicContact CB-CB 4.19Å; D796-L799 HydrophobicContact CB-CD1 3.97Å; D796-L799 HydrophobicContact CB-CG 3.96Å; D796-L799 WeakPolarHBondContact O-CB 3.35Å; D796-L799 PolarHBondContact O-N 2.98Å; D796-L799 PolarHBondContact OD1-N 3.31Å; D796-Q800 WeakPolarHBondContact O-CG 2.84Å; D796-Q800 PolarHBondContact O-N 2.9Å
797	I	89.7	Confident	89.4	Confident	2 Å²	2	14.6 Å²	14.6	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-60.1	-29.7	-178.5	-68.6	169.6	0	0	0	111.6	Y705 Q709 Q800 R801 Q859	Y705-I797 HydrophobicContact CD1-CG2 3.74Å; Y705-I797 HydrophobicContact CG-CG2 3.84Å; Q709-I797 WeakPolarHBondContact O-CD1 3.37Å; I797-Q800 PolarHBondContact O-N 3.2Å; I797-R801 HydrophobicContact CG2-CG 4.21Å; I797-R801 WeakPolarHBondContact O-CB 3.38Å; I797-R801 WeakPolarHBondContact O-CG 3.46Å; I797-R801 PolarHBondContact O-N 2.67Å; I797-Q859 HydrophobicContact CD1-CB 3.91Å; I797-Q859 HydrophobicContact CD1-CG 4.34Å; I797-Q859 HydrophobicContact CG1-CB 4.11Å; I797-Q859 HydrophobicContact CG1-CG 4.19Å
798	G	89.5	Confident	89.1	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.4	-42	174.3	0	0	0	0	0	112.7	E701 D796 R801 A802	E701-G798 WeakPolarHBondContact CB-O 3.41Å; E701-G798 WeakPolarHBondContact O-CA 3.25Å; D796-G798 PolarHBondContact O-N 2.95Å; D796-G798 VanDerWaalsContact OD1-CA 3.29Å; D796-G798 WeakPolarHBondContact OD1-CA 3.44Å; D796-G798 PolarHBondContact OD1-N 3.18Å; G798-R801 PolarHBondContact O-N 3.33Å; G798-A802 WeakPolarHBondContact O-CB 2.92Å; G798-A802 PolarHBondContact O-N 3.12Å
799	L	91.2	Very high	88.5	Confident	5 Å²	5	19.5 Å²	19.5	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-66.4	-45	173.1	-65.7	-179.3	0	0	0	111.4	Y750 K753 D796 R801 A802 L803	Y750-L799 HydrophobicContact CE1-CB 3.82Å; Y750-L799 HydrophobicContact CE1-CD1 4.46Å; Y750-L799 HydrophobicContact CE1-CD2 3.86Å; Y750-L799 HydrophobicContact CE1-CG 4.26Å; Y750-L799 HydrophobicContact CE2-CD2 3.96Å; Y750-L799 WeakPolarHBondContact OH-CA 3.37Å; Y750-L799 PolarHBondContact OH-O 2.94Å; Y750-L799 VanDerWaalsContact OH-O 3.11Å; K753-L799 HydrophobicContact CG-CD2 4.09Å; D796-L799 HydrophobicContact CB-CB 4.19Å; D796-L799 HydrophobicContact CB-CD1 3.97Å; D796-L799 HydrophobicContact CB-CG 3.96Å; D796-L799 WeakPolarHBondContact O-CB 3.35Å; D796-L799 PolarHBondContact O-N 2.98Å; D796-L799 PolarHBondContact OD1-N 3.31Å; L799-R801 VanDerWaalsContact C-N 3.28Å; L799-R801 PolarHBondContact O-N 2.87Å; L799-A802 PolarHBondContact O-N 3.12Å; L799-L803 PolarHBondContact O-N 3.32Å
800	Q	92.6	Very high	87.7	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-54	-47.6	175.1	-60.9	-176.1	-10.6	0	0	111.6	Y710 I791 S792 L794 D796 I797 L804 V860	Y710-Q800 VanDerWaalsContact CE2-NE2 3.33Å; I791-Q800 HydrophobicContact CG2-CB 4.34Å; I791-Q800 WeakPolarHBondContact O-CG 3.34Å; S792-Q800 PolarHBondContact O-NE2 3.32Å; L794-Q800 HydrophobicContact CB-CG 3.95Å; L794-Q800 PolarHBondContact O-NE2 3.49Å; D796-Q800 WeakPolarHBondContact O-CG 2.84Å; D796-Q800 PolarHBondContact O-N 2.9Å; I797-Q800 PolarHBondContact O-N 3.2Å; Q800-L804 WeakPolarHBondContact O-CB 3.38Å; Q800-L804 PolarHBondContact O-N 3.42Å; Q800-V860 HydrophobicContact CB-CB 4.02Å; Q800-V860 HydrophobicContact CB-CG2 3.66Å
801	R	90.1	Very high	86.3	Confident	38 Å²	38	22.4 Å²	22.4	14%	0.143	12%	0.123	C	C	.	.	H	α-helix	trans	-67.1	-38.7	-179	-83.3	-80	176.5	151.2	-1.4	113	E701 Y705 I797 G798 L799 L804 R805 C854 G858	E701-R801 HydrophobicContact CB-CB 3.76Å; E701-R801 HydrophobicContact CG-CB 3.74Å; E701-R801 WeakPolarHBondContact OE1-CB 3.06Å; E701-R801 WeakPolarHBondContact OE1-CD 3.06Å; Y705-R801 HydrophobicContact CD2-CB 4.26Å; Y705-R801 HydrophobicContact CD2-CG 3.95Å; Y705-R801 HydrophobicContact CE2-CB 4.25Å; Y705-R801 HydrophobicContact CE2-CG 3.78Å; Y705-R801 HydrophobicContact CG-CG 4.48Å; Y705-R801 PolarHBondContact OH-NH1 3.09Å; Y705-R801 VanDerWaalsContact OH-NH1 3.13Å; I797-R801 HydrophobicContact CG2-CG 4.21Å; I797-R801 WeakPolarHBondContact O-CB 3.38Å; I797-R801 WeakPolarHBondContact O-CG 3.46Å; I797-R801 PolarHBondContact O-N 2.67Å; G798-R801 PolarHBondContact O-N 3.33Å; L799-R801 VanDerWaalsContact C-N 3.28Å; L799-R801 PolarHBondContact O-N 2.87Å; R801-L804 PolarHBondContact O-N 2.84Å; R801-R805 WeakPolarHBondContact O-CG 3.34Å; R801-R805 PolarHBondContact O-N 3.25Å; R801-C854 PolarHBondContact NH2-O 2.87Å; R801-G858 VanDerWaalsContact CZ-O 3.24Å; R801-G858 PolarHBondContact NE-O 3.47Å; R801-G858 PolarHBondContact NH2-O 3.42Å
802	A	88.8	Confident	84.9	Confident	4 Å²	4	25.2 Å²	25.2	3%	0.033	14%	0.142	C	C	.	.	H	α-helix	trans	-67.5	-45.1	176.9	0	0	0	0	0	111.9	D699 E701 Y750 A757 G798 L799 L804 R805 A806	D699-A802 HydrophobicContact CB-CB 3.47Å; D699-A802 VanDerWaalsContact CB-CB 3.47Å; D699-A802 VanDerWaalsContact CG-CB 3.47Å; D699-A802 WeakPolarHBondContact OD2-CB 3.4Å; E701-A802 HydrophobicContact CB-CB 4.3Å; E701-A802 HydrophobicContact CG-CB 4.49Å; Y750-A802 WeakPolarHBondContact OH-CB 3.27Å; A757-A802 VanDerWaalsContact CB-C 3.45Å; A757-A802 HydrophobicContact CB-CB 3.76Å; A757-A802 WeakPolarHBondContact CB-O 3.31Å; G798-A802 WeakPolarHBondContact O-CB 2.92Å; G798-A802 PolarHBondContact O-N 3.12Å; L799-A802 PolarHBondContact O-N 3.12Å; A802-L804 VanDerWaalsContact C-N 3.31Å; A802-L804 PolarHBondContact O-N 2.84Å; A802-R805 PolarHBondContact O-N 2.7Å; A802-A806 PolarHBondContact O-N 2.79Å
803	L	90.1	Very high	83.6	Confident	6 Å²	6	26.2 Å²	26.2	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-60.1	-40.6	171.8	-67.7	-173.2	0	0	0	112.2	Y750 A757 Y760 M790 I791 L794 L799 R805 A806 L807	Y750-L803 HydrophobicContact CD1-CD1 4.11Å; Y750-L803 HydrophobicContact CD1-CD2 4.24Å; Y750-L803 HydrophobicContact CD1-CG 4.34Å; Y750-L803 HydrophobicContact CE1-CD1 3.56Å; Y750-L803 HydrophobicContact CE1-CD2 3.59Å; Y750-L803 HydrophobicContact CE1-CG 3.43Å; Y750-L803 VanDerWaalsContact CE1-CG 3.43Å; Y750-L803 HydrophobicContact CE2-CD2 4.23Å; A757-L803 HydrophobicContact CB-CD2 3.86Å; Y760-L803 HydrophobicContact CD1-CD1 4.17Å; Y760-L803 HydrophobicContact CD1-CD2 3.41Å; Y760-L803 VanDerWaalsContact CD1-CD2 3.41Å; Y760-L803 HydrophobicContact CD1-CG 4.46Å; Y760-L803 HydrophobicContact CE1-CD1 3.99Å; Y760-L803 HydrophobicContact CE1-CD2 4.07Å; Y760-L803 HydrophobicContact CG-CD2 4.21Å; M790-L803 HydrophobicContact CE-CD1 4.44Å; I791-L803 HydrophobicContact CD1-CB 4Å; I791-L803 HydrophobicContact CD1-CD1 4.43Å; I791-L803 HydrophobicContact CG1-CB 4.17Å; I791-L803 HydrophobicContact CG1-CD1 3.85Å; L794-L803 HydrophobicContact CD1-CD1 3.63Å; L799-L803 PolarHBondContact O-N 3.32Å; L803-R805 VanDerWaalsContact C-N 3.33Å; L803-R805 PolarHBondContact O-N 3.14Å; L803-A806 PolarHBondContact O-N 3.44Å; L803-L807 WeakPolarHBondContact O-CB 3.27Å; L803-L807 PolarHBondContact O-N 2.86Å
804	L	90.5	Very high	82	Confident	16 Å²	16	37 Å²	37	8%	0.084	19%	0.189	C	C	.	.	H	α-helix	trans	-62.8	-38	176.9	-172.5	68.3	0	0	0	112.2	Q800 R801 A802 Q808 L848 M851 T853 V860	Q800-L804 WeakPolarHBondContact O-CB 3.38Å; Q800-L804 PolarHBondContact O-N 3.42Å; R801-L804 PolarHBondContact O-N 2.84Å; A802-L804 VanDerWaalsContact C-N 3.31Å; A802-L804 PolarHBondContact O-N 2.84Å; L804-Q808 WeakPolarHBondContact O-CB 3.43Å; L804-Q808 WeakPolarHBondContact O-CG 3.37Å; L804-Q808 PolarHBondContact O-N 3.41Å; L804-Q808 VanDerWaalsContact O-N 3.13Å; L804-L848 HydrophobicContact CD1-CD2 3.6Å; L804-M851 HydrophobicContact CD1-CE 4.09Å; L804-T853 HydrophobicContact CD2-CG2 3.42Å; L804-T853 VanDerWaalsContact CD2-CG2 3.42Å; L804-V860 HydrophobicContact CB-CG2 4.41Å; L804-V860 HydrophobicContact CD2-CG1 4.38Å; L804-V860 HydrophobicContact CD2-CG2 3.94Å
805	R	86	Confident	80.8	Confident	52 Å²	52	36.5 Å²	36.5	20%	0.196	19%	0.186	C	C	.	.	H	α-helix	trans	-66.8	-45.3	173.7	-73.2	-104.1	-176.4	67.4	12.6	112.2	E701 R801 A802 L803 L807 Q808 A809 Q810 P813	E701-R805 VanDerWaalsContact CG-NH1 3.35Å; E701-R805 IonicContact OE1-CZ 3.12Å; E701-R805 IonicContact OE1-NH1 3.77Å; E701-R805 PolarHBondContact OE1-NH1 2.97Å; E701-R805 IonicContact OE1-NH2 2.67Å; E701-R805 PolarHBondContact OE1-NH2 3.49Å; E701-R805 IonicContact OE2-CZ 2.75Å; E701-R805 VanDerWaalsContact OE2-CZ 3.28Å; E701-R805 IonicContact OE2-NH1 3.83Å; E701-R805 PolarHBondContact OE2-NH1 2.95Å; E701-R805 IonicContact OE2-NH2 3.49Å; E701-R805 PolarHBondContact OE2-NH2 3.5Å; R801-R805 WeakPolarHBondContact O-CG 3.34Å; R801-R805 PolarHBondContact O-N 3.25Å; A802-R805 PolarHBondContact O-N 2.7Å; L803-R805 VanDerWaalsContact C-N 3.33Å; L803-R805 PolarHBondContact O-N 3.14Å; R805-L807 PolarHBondContact O-N 3.39Å; R805-Q808 CarbonylContact O-C 3.59Å; R805-Q808 WeakPolarHBondContact O-CA 3.14Å; R805-Q808 PolarHBondContact O-N 2.87Å; R805-A809 PolarHBondContact O-N 3.49Å; R805-Q810 HydrophobicContact CB-CB 4.36Å; R805-Q810 PolarHBondContact O-N 3.39Å; R805-P813 VanDerWaalsContact NH1-CD 3.28Å; R805-P813 VanDerWaalsContact NH1-CG 3.29Å
806	A	85.7	Confident	79.8	Confident	14 Å²	14	37.2 Å²	37.2	12%	0.116	19%	0.191	C	C	.	.	H	α-helix	trans	-60	-45.5	176.5	0	0	0	0	0	111.4	A757 T758 L761 A802 L803 Q808 A809	A757-A806 HydrophobicContact CB-CB 4.03Å; T758-A806 HydrophobicContact CG2-CB 4.47Å; L761-A806 HydrophobicContact CD2-CB 3.97Å; A802-A806 PolarHBondContact O-N 2.79Å; L803-A806 PolarHBondContact O-N 3.44Å; A806-Q808 PolarHBondContact O-N 3.35Å; A806-A809 PolarHBondContact O-N 3.31Å
807	L	86.2	Confident	78.5	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-17	173.3	-79.3	178.1	0	0	0	114.4	L761 I787 I791 L803 R805 L840 W843 L848 M851	L761-L807 HydrophobicContact CD1-CD2 3.66Å; L761-L807 HydrophobicContact CD1-CG 4.39Å; L761-L807 HydrophobicContact CD2-CD2 3.98Å; L761-L807 HydrophobicContact CD2-CG 4.33Å; I787-L807 HydrophobicContact CG2-CD1 4.19Å; I791-L807 HydrophobicContact CD1-CD1 3.34Å; L803-L807 WeakPolarHBondContact O-CB 3.27Å; L803-L807 PolarHBondContact O-N 2.86Å; R805-L807 PolarHBondContact O-N 3.39Å; L807-L840 WeakPolarHBondContact O-CD1 3.46Å; L807-W843 HydrophobicContact CD2-CH2 4.01Å; L807-W843 HydrophobicContact CD2-CZ3 3.76Å; L807-L848 HydrophobicContact CB-CD2 4.28Å; L807-L848 WeakPolarHBondContact O-CD1 3.26Å; L807-M851 HydrophobicContact CD1-CE 4.19Å
808	Q	84.8	Confident	77.1	Confident	74 Å²	74	43.2 Å²	43.2	35%	0.346	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	5.8	173.7	-70.7	173.6	15.6	0	0	112.7	L804 R805 A806 Q810 L848	L804-Q808 WeakPolarHBondContact O-CB 3.43Å; L804-Q808 WeakPolarHBondContact O-CG 3.37Å; L804-Q808 PolarHBondContact O-N 3.41Å; L804-Q808 VanDerWaalsContact O-N 3.13Å; R805-Q808 CarbonylContact O-C 3.59Å; R805-Q808 WeakPolarHBondContact O-CA 3.14Å; R805-Q808 PolarHBondContact O-N 2.87Å; A806-Q808 PolarHBondContact O-N 3.35Å; Q808-Q810 HydrophobicContact CB-CG 4Å; Q808-Q810 PolarHBondContact O-N 3.08Å; Q808-Q810 VanDerWaalsContact O-N 3.15Å; Q808-L848 HydrophobicContact CG-CD1 3.75Å; Q808-L848 HydrophobicContact CG-CD2 3.84Å; Q808-L848 HydrophobicContact CG-CG 4.49Å
809	A	78	Confident	75.9	Confident	31 Å²	31	43.6 Å²	43.6	26%	0.256	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	31.3	-170.1	0	0	0	0	0	113.5	R805 A806 P836 L840	R805-A809 PolarHBondContact O-N 3.49Å; A806-A809 PolarHBondContact O-N 3.31Å; A809-P836 HydrophobicContact CB-CB 4.32Å; A809-P836 HydrophobicContact CB-CG 4.43Å; A809-P836 WeakPolarHBondContact O-CB 3.48Å; A809-P836 WeakPolarHBondContact O-CG 3.48Å; A809-L840 HydrophobicContact CB-CB 4.2Å; A809-L840 HydrophobicContact CB-CD1 3.98Å
810	Q	73	Confident	74.5	Confident	93 Å²	93	46.1 Å²	46.1	44%	0.435	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-87.5	130	176.2	-72.1	175.2	24.9	0	0	109.8	R805 Q808	R805-Q810 HydrophobicContact CB-CB 4.36Å; R805-Q810 PolarHBondContact O-N 3.39Å; Q808-Q810 HydrophobicContact CB-CG 4Å; Q808-Q810 PolarHBondContact O-N 3.08Å; Q808-Q810 VanDerWaalsContact O-N 3.15Å
811	G	60.6	Low	73	Confident	25 Å²	25	51 Å²	51	26%	0.258	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-62.2	166.9	170	0	0	0	0	0	112.4
812	S	62.4	Low	71.6	Confident	60 Å²	60	49.8 Å²	49.8	42%	0.42	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-56.4	141	-179	-143.3	0	0	0	0	111.2	I700	I700-S812 VanDerWaalsContact CD1-OG 3.25Å; I700-S812 WeakPolarHBondContact CD1-OG 3.46Å; I700-S812 WeakPolarHBondContact CG1-OG 3.45Å
813	P	63	Low	70.2	Confident	26 Å²	26	49.6 Å²	49.6	17%	0.169	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-62.2	157.9	-171.6	26.1	-34.3	0	0	0	112.1	I700 L704 R805 I815	I700-P813 HydrophobicContact CB-CG 3.73Å; I700-P813 HydrophobicContact CG2-CG 3.71Å; L704-P813 HydrophobicContact CD1-CB 4.25Å; L704-P813 HydrophobicContact CD1-CG 3.88Å; R805-P813 VanDerWaalsContact NH1-CD 3.28Å; R805-P813 VanDerWaalsContact NH1-CG 3.29Å; P813-I815 PolarHBondContact O-N 3.31Å
814	R	57.5	Low	68.9	Low	230 Å²	230	54.5 Å²	54.5	87%	0.868	29%	0.285	S	S	*	.			trans	-67.7	107.8	164	-68	-169.8	-176.1	-161.5	4.2	108.6	P816	R814-P816 WeakPolarHBondContact O-CD 3.34Å
815	I	63.5	Low	67.6	Low	9 Å²	9	61 Å²	61	5%	0.046	31%	0.313	C	S	.	.			trans	-46.9	125.9	160.5	-56.1	174.7	0	0	0	108	I700 P813 M819 Q820 L823 F830	I700-I815 HydrophobicContact CD1-CD1 4.05Å; I700-I815 HydrophobicContact CD1-CG1 3.85Å; I700-I815 HydrophobicContact CG2-CG1 3.96Å; P813-I815 PolarHBondContact O-N 3.31Å; I815-M819 HydrophobicContact CG2-CB 3.43Å; I815-M819 VanDerWaalsContact CG2-CB 3.43Å; I815-M819 HydrophobicContact CG2-SD 4.4Å; I815-Q820 HydrophobicContact CG2-CB 4.29Å; I815-L823 HydrophobicContact CD1-CD1 4.05Å; I815-L823 HydrophobicContact CG2-CD1 3.98Å; I815-F830 HydrophobicContact CD1-CB 4.23Å; I815-F830 HydrophobicContact CD1-CD1 4.04Å; I815-F830 HydrophobicContact CD1-CD2 4.32Å; I815-F830 HydrophobicContact CD1-CG 3.91Å
816	P	64.1	Low	66.2	Low	50 Å²	50	60.2 Å²	60.2	33%	0.325	32%	0.316	S	S	.	.			trans	-49.1	148.3	170.4	-29.8	36	0	0	0	112.6	L704 R814 D818 M819 Q820	L704-P816 HydrophobicContact CD2-CG 4.17Å; R814-P816 WeakPolarHBondContact O-CD 3.34Å; P816-D818 VanDerWaalsContact C-N 3.31Å; P816-D818 WeakPolarHBondContact CB-OD1 3.34Å; P816-D818 PolarHBondContact O-N 2.98Å; P816-M819 HydrophobicContact CB-CB 4.3Å; P816-M819 HydrophobicContact CB-CG 4.41Å; P816-M819 HydrophobicContact CB-SD 4.45Å; P816-M819 HydrophobicContact CG-SD 3.96Å; P816-M819 CarbonylContact O-C 3.58Å; P816-M819 WeakPolarHBondContact O-CB 3.46Å; P816-M819 PolarHBondContact O-N 3.34Å; P816-M819 VanDerWaalsContact O-N 3.14Å; P816-Q820 PolarHBondContact O-N 3.38Å
817	V	60.3	Low	64.4	Low	109 Å²	109	62.6 Å²	62.6	66%	0.661	34%	0.341	S	S	*	.	H	α-helix	trans	-65	-36.8	-170.1	-178.5	0	0	0	0	111.9	Q820 E821	V817-Q820 WeakPolarHBondContact O-CB 3.48Å; V817-Q820 PolarHBondContact O-N 3.16Å; V817-E821 PolarHBondContact O-N 2.87Å
818	D	62	Low	62.8	Low	62 Å²	62	65.7 Å²	65.7	33%	0.332	36%	0.356	S	S	.	.	H	α-helix	trans	-63.1	-42.9	172.7	56.7	-51.1	0	0	0	112.7	I682 P816 A822	I682-D818 HydrophobicContact CD1-CB 4.1Å; I682-D818 HydrophobicContact CG2-CB 4.38Å; P816-D818 VanDerWaalsContact C-N 3.31Å; P816-D818 WeakPolarHBondContact CB-OD1 3.34Å; P816-D818 PolarHBondContact O-N 2.98Å; D818-A822 PolarHBondContact O-N 3.45Å
819	M	62.6	Low	61	Low	8 Å²	8	70.8 Å²	70.8	4%	0.039	38%	0.379	C	S	.	.	H	α-helix	trans	-65.6	-36.8	169.4	-79.9	-177.8	150.6	0	0	112.1	L685 L704 I815 P816 A822 L823	L685-M819 HydrophobicContact CD1-CE 3.87Å; L685-M819 HydrophobicContact CD2-CE 3.62Å; L685-M819 HydrophobicContact CG-CE 4.28Å; L704-M819 HydrophobicContact CD2-CE 4.07Å; L704-M819 HydrophobicContact CD2-SD 3.79Å; I815-M819 HydrophobicContact CG2-CB 3.43Å; I815-M819 VanDerWaalsContact CG2-CB 3.43Å; I815-M819 HydrophobicContact CG2-SD 4.4Å; P816-M819 HydrophobicContact CB-CB 4.3Å; P816-M819 HydrophobicContact CB-CG 4.41Å; P816-M819 HydrophobicContact CB-SD 4.45Å; P816-M819 HydrophobicContact CG-SD 3.96Å; P816-M819 CarbonylContact O-C 3.58Å; P816-M819 WeakPolarHBondContact O-CB 3.46Å; P816-M819 PolarHBondContact O-N 3.34Å; P816-M819 VanDerWaalsContact O-N 3.14Å; M819-A822 WeakPolarHBondContact O-CB 3.4Å; M819-A822 PolarHBondContact O-N 3.37Å; M819-L823 WeakPolarHBondContact O-CD1 3.37Å; M819-L823 VanDerWaalsContact O-CG 3.29Å; M819-L823 WeakPolarHBondContact O-CG 3.33Å; M819-L823 PolarHBondContact O-N 3.34Å
820	Q	63.3	Low	59.7	Low	59 Å²	59	72.4 Å²	72.4	28%	0.276	38%	0.381	S	S	.	.	H	α-helix	trans	-65.4	-42.8	-179.8	-169.8	-169.7	-36.7	0	0	110.8	I815 P816 V817 L823 L824	I815-Q820 HydrophobicContact CG2-CB 4.29Å; P816-Q820 PolarHBondContact O-N 3.38Å; V817-Q820 WeakPolarHBondContact O-CB 3.48Å; V817-Q820 PolarHBondContact O-N 3.16Å; Q820-L823 PolarHBondContact O-N 2.9Å; Q820-L824 HydrophobicContact CG-CD1 4.24Å; Q820-L824 WeakPolarHBondContact O-CD1 3.44Å; Q820-L824 PolarHBondContact O-N 3.11Å
821	E	61.3	Low	58.6	Low	102 Å²	102	75.3 Å²	75.3	48%	0.477	39%	0.392	S	S	.	.	H	α-helix	trans	-60.6	-43.3	171.7	-81.6	-164.2	-148.3	0	0	112.3	V817 L823 L824 K825	V817-E821 PolarHBondContact O-N 2.87Å; E821-L823 PolarHBondContact O-N 3.36Å; E821-L824 PolarHBondContact O-N 2.89Å; E821-K825 VanDerWaalsContact O-CB 3.3Å; E821-K825 WeakPolarHBondContact O-CB 3.44Å; E821-K825 WeakPolarHBondContact O-CD 3.46Å; E821-K825 WeakPolarHBondContact O-CG 3.31Å; E821-K825 PolarHBondContact O-N 3.36Å; E821-K825 IonicContact OE2-NZ 3.42Å; E821-K825 PolarHBondContact OE2-NZ 3.4Å
822	A	58.9	Low	58	Low	12 Å²	12	80.4 Å²	80.4	10%	0.099	40%	0.403	C	S	.	.	H	α-helix	trans	-59	-45.3	178.5	0	0	0	0	0	112.8	I686 D818 M819 K825 S826	I686-A822 HydrophobicContact CD1-CB 4.2Å; I686-A822 HydrophobicContact CG1-CB 3.67Å; D818-A822 PolarHBondContact O-N 3.45Å; M819-A822 WeakPolarHBondContact O-CB 3.4Å; M819-A822 PolarHBondContact O-N 3.37Å; A822-K825 CarbonylContact O-C 3.51Å; A822-K825 PolarHBondContact O-N 3.49Å; A822-S826 PolarHBondContact O-N 2.85Å
823	L	59.6	Low	57.2	Low	1 Å²	1	82.1 Å²	82.1	1%	0.005	41%	0.408	C	S	.	.	H	α-helix	trans	-73.1	-34.3	-177.6	-67.4	163.7	0	0	0	112.5	I689 F694 I815 M819 Q820 E821 S826 G827 H828 F830	I689-L823 HydrophobicContact CB-CD2 4.45Å; I689-L823 HydrophobicContact CD1-CD2 4.1Å; I689-L823 HydrophobicContact CD1-CG 4.31Å; I689-L823 HydrophobicContact CG1-CD2 4.17Å; I689-L823 HydrophobicContact CG2-CD2 3.46Å; I689-L823 VanDerWaalsContact CG2-CD2 3.46Å; I689-L823 HydrophobicContact CG2-CG 4.41Å; F694-L823 HydrophobicContact CE1-CD2 4.4Å; F694-L823 HydrophobicContact CE2-CD2 3.99Å; F694-L823 HydrophobicContact CZ-CD2 3.82Å; I815-L823 HydrophobicContact CD1-CD1 4.05Å; I815-L823 HydrophobicContact CG2-CD1 3.98Å; M819-L823 WeakPolarHBondContact O-CD1 3.37Å; M819-L823 VanDerWaalsContact O-CG 3.29Å; M819-L823 WeakPolarHBondContact O-CG 3.33Å; M819-L823 PolarHBondContact O-N 3.34Å; Q820-L823 PolarHBondContact O-N 2.9Å; E821-L823 PolarHBondContact O-N 3.36Å; L823-S826 PolarHBondContact O-N 3.31Å; L823-S826 PolarHBondContact O-OG 3.19Å; L823-S826 VanDerWaalsContact O-OG 3.07Å; L823-G827 PolarHBondContact O-N 3.5Å; L823-H828 PolarHBondContact O-N 3.49Å; L823-F830 HydrophobicContact CB-CD2 4.28Å; L823-F830 HydrophobicContact CB-CE2 3.86Å; L823-F830 HydrophobicContact CD1-CD2 4.27Å; L823-F830 HydrophobicContact CD1-CE2 3.73Å; L823-F830 HydrophobicContact CD1-CZ 4.01Å; L823-F830 HydrophobicContact CD2-CE2 3.74Å; L823-F830 HydrophobicContact CD2-CZ 3.98Å; L823-F830 HydrophobicContact CG-CE2 3.97Å; L823-F830 HydrophobicContact CG-CZ 4.48Å
824	L	64.5	Low	56.4	Low	108 Å²	108	89.5 Å²	89.5	57%	0.565	44%	0.437	S	S	*	.	H	α-helix	trans	-64.3	-42.7	168.1	-97.4	65.5	0	0	0	111.1	Q820 E821 S826 G827	Q820-L824 HydrophobicContact CG-CD1 4.24Å; Q820-L824 WeakPolarHBondContact O-CD1 3.44Å; Q820-L824 PolarHBondContact O-N 3.11Å; E821-L824 PolarHBondContact O-N 2.89Å; L824-S826 PolarHBondContact O-N 3.31Å; L824-G827 PolarHBondContact O-N 2.91Å
825	K	61.7	Low	56	Low	152 Å²	152	85 Å²	85	66%	0.661	43%	0.429	S	S	*	.	H	α-helix	trans	-68.6	-16.1	177.6	-73	164.2	179.2	167.6	0	113.6	E821 A822	E821-K825 VanDerWaalsContact O-CB 3.3Å; E821-K825 WeakPolarHBondContact O-CB 3.44Å; E821-K825 WeakPolarHBondContact O-CD 3.46Å; E821-K825 WeakPolarHBondContact O-CG 3.31Å; E821-K825 PolarHBondContact O-N 3.36Å; E821-K825 IonicContact OE2-NZ 3.42Å; E821-K825 PolarHBondContact OE2-NZ 3.4Å; A822-K825 CarbonylContact O-C 3.51Å; A822-K825 PolarHBondContact O-N 3.49Å
826	S	57.1	Low	55.3	Low	37 Å²	37	87 Å²	87	26%	0.259	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	6.2	169.9	71.1	0	0	0	0	114	A822 L823 L824	A822-S826 PolarHBondContact O-N 2.85Å; L823-S826 PolarHBondContact O-N 3.31Å; L823-S826 PolarHBondContact O-OG 3.19Å; L823-S826 VanDerWaalsContact O-OG 3.07Å; L824-S826 PolarHBondContact O-N 3.31Å
827	G	48.1	Very low	54.9	Low	64 Å²	64	88.9 Å²	88.9	66%	0.66	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	22.5	177	0	0	0	0	0	114.9	L823 L824	L823-G827 PolarHBondContact O-N 3.5Å; L824-G827 PolarHBondContact O-N 2.91Å
828	H	52.1	Low	54.9	Low	68 Å²	68	85.7 Å²	85.7	32%	0.315	43%	0.428	S	S	.	.			trans	-108.2	110	-179.3	-66.1	-16.9	0	0	0	111.7	F694 L823 F830	F694-H828 AromaticContact CD2-CD2 3.48Å; F694-H828 VanDerWaalsContact CD2-CD2 3.48Å; F694-H828 WeakPolarHBondContact CD2-CD2 3.28Å; F694-H828 AromaticContact CD2-NE2 3.87Å; F694-H828 AromaticContact CG-CD2 3.74Å; L823-H828 PolarHBondContact O-N 3.49Å; H828-F830 HydrophobicContact CB-CE2 3.93Å; H828-F830 PolarHBondContact O-N 2.86Å
829	Q	48.2	Very low	55.2	Low	180 Å²	180	86.9 Å²	86.9	84%	0.841	45%	0.446	S	S	*	.			trans	-88	105	175.5	-68.8	-154.9	42.6	0	0	111.6	K831	Q829-K831 PolarHBondContact O-N 2.68Å
830	F	51	Low	55.7	Low	66 Å²	66	89.9 Å²	89.9	29%	0.289	46%	0.462	S	S	.	.			trans	-76.5	113	176.3	-75.5	-102.4	0	0	0	111.5	F694 I815 L823 H828 R832	F694-F830 HydrophobicContact CD1-CE1 4.08Å; F694-F830 AromaticContact CD1-CZ 3.5Å; F694-F830 HydrophobicContact CD1-CZ 3.5Å; F694-F830 VanDerWaalsContact CD1-CZ 3.5Å; F694-F830 HydrophobicContact CE1-CE1 4.09Å; F694-F830 AromaticContact CE1-CZ 3.51Å; F694-F830 HydrophobicContact CE1-CZ 3.51Å; F694-F830 HydrophobicContact CG-CZ 4.3Å; F694-F830 HydrophobicContact CZ-CZ 4.31Å; I815-F830 HydrophobicContact CD1-CB 4.23Å; I815-F830 HydrophobicContact CD1-CD1 4.04Å; I815-F830 HydrophobicContact CD1-CD2 4.32Å; I815-F830 HydrophobicContact CD1-CG 3.91Å; L823-F830 HydrophobicContact CB-CD2 4.28Å; L823-F830 HydrophobicContact CB-CE2 3.86Å; L823-F830 HydrophobicContact CD1-CD2 4.27Å; L823-F830 HydrophobicContact CD1-CE2 3.73Å; L823-F830 HydrophobicContact CD1-CZ 4.01Å; L823-F830 HydrophobicContact CD2-CE2 3.74Å; L823-F830 HydrophobicContact CD2-CZ 3.98Å; L823-F830 HydrophobicContact CG-CE2 3.97Å; L823-F830 HydrophobicContact CG-CZ 4.48Å; H828-F830 HydrophobicContact CB-CE2 3.93Å; H828-F830 PolarHBondContact O-N 2.86Å; F830-R832 PolarHBondContact O-N 3.49Å
831	K	49	Very low	56.2	Low	154 Å²	154	87.4 Å²	87.4	67%	0.67	45%	0.451	S	S	*	.			trans	-65.1	97.4	166.9	-79.4	178.1	175.8	170.2	0	109.6	Q829 N833	Q829-K831 PolarHBondContact O-N 2.68Å; K831-N833 VanDerWaalsContact C-N 3.31Å; K831-N833 PolarHBondContact O-N 3.08Å
832	R	47.2	Very low	57	Low	132 Å²	132	84.2 Å²	84.2	50%	0.498	44%	0.44	S	S	.	.			trans	-68.1	82.3	178.6	-78.9	177.5	156	154.5	-3.7	111.1	F830 K834	F830-R832 PolarHBondContact O-N 3.49Å; R832-K834 PolarHBondContact O-N 2.89Å
833	N	46.3	Very low	58.2	Low	95 Å²	95	84.1 Å²	84.1	51%	0.508	44%	0.437	S	S	.	.			trans	-66.2	84.6	169.3	-72.8	-8.6	0	0	0	110.3	K831 I835	K831-N833 VanDerWaalsContact C-N 3.31Å; K831-N833 PolarHBondContact O-N 3.08Å; N833-I835 PolarHBondContact O-N 2.83Å
834	K	46.1	Very low	59.3	Low	181 Å²	181	84 Å²	84	79%	0.787	44%	0.436	S	S	*	.			trans	-70.6	-17.7	173.4	-71.4	-178.6	179.8	173.8	0	113	R832	R832-K834 PolarHBondContact O-N 2.89Å
835	I	48.2	Very low	60.3	Low	135 Å²	135	83.3 Å²	83.3	69%	0.692	43%	0.429	S	S	*	.	S	Bend	trans	-99.7	125.3	-178	-53.7	175.3	0	0	0	106.9	N833 I837	N833-I835 PolarHBondContact O-N 2.83Å; I835-I837 PolarHBondContact O-N 3.14Å
836	P	50.5	Low	61.5	Low	53 Å²	53	78.6 Å²	78.6	34%	0.344	41%	0.408	S	S	.	.			trans	-64.2	127.5	168.9	28.7	-33.6	0	0	0	108.8	A809 L838	A809-P836 HydrophobicContact CB-CB 4.32Å; A809-P836 HydrophobicContact CB-CG 4.43Å; A809-P836 WeakPolarHBondContact O-CB 3.48Å; A809-P836 WeakPolarHBondContact O-CG 3.48Å; P836-L838 VanDerWaalsContact C-N 3.27Å; P836-L838 PolarHBondContact O-N 3.4Å
837	I	55.3	Low	63	Low	89 Å²	89	76.8 Å²	76.8	46%	0.456	40%	0.396	S	S	.	.	S	Bend	trans	-67.9	-33.1	-175.6	-55.4	176.5	0	0	0	110.6	E762 I835	E762-I837 VanDerWaalsContact OE1-CG2 3.32Å; E762-I837 WeakPolarHBondContact OE1-CG2 3.16Å; I835-I837 PolarHBondContact O-N 3.14Å
838	L	60.9	Low	64.9	Low	42 Å²	42	75.5 Å²	75.5	22%	0.22	37%	0.373	C	S	.	.	S	Bend	trans	-102.9	137.9	-175.8	-171.9	60	0	0	0	112.6	L761 E762 V765 P836 P841	L761-L838 HydrophobicContact CB-CD2 4.24Å; L761-L838 HydrophobicContact CD2-CD2 3.93Å; L761-L838 HydrophobicContact CG-CD2 3.72Å; E762-L838 HydrophobicContact CG-CB 4.26Å; E762-L838 HydrophobicContact CG-CD1 3.85Å; E762-L838 HydrophobicContact CG-CD2 4.04Å; E762-L838 HydrophobicContact CG-CG 4.25Å; V765-L838 HydrophobicContact CG2-CD2 4.37Å; P836-L838 VanDerWaalsContact C-N 3.27Å; P836-L838 PolarHBondContact O-N 3.4Å; L838-P841 HydrophobicContact CD2-CG 4.43Å
839	A	67.3	Low	66.7	Low	86 Å²	86	78.8 Å²	78.8	71%	0.711	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-69.4	132.9	166.2	0	0	0	0	0	110.4	P841	A839-P841 WeakPolarHBondContact O-CD 3.26Å
840	L	73.1	Confident	68.6	Low	71 Å²	71	72.3 Å²	72.3	37%	0.372	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-55.2	119.2	-172.9	-175	69.9	0	0	0	112.1	L807 A809 S844 K845	L807-L840 WeakPolarHBondContact O-CD1 3.46Å; A809-L840 HydrophobicContact CB-CB 4.2Å; A809-L840 HydrophobicContact CB-CD1 3.98Å; L840-S844 VanDerWaalsContact CD1-OG 3.27Å; L840-S844 WeakPolarHBondContact CD1-OG 3.36Å; L840-S844 VanDerWaalsContact CG-OG 3.28Å; L840-S844 WeakPolarHBondContact CG-OG 3.15Å; L840-K845 HydrophobicContact CD2-CG 4.45Å
841	P	74.9	Confident	70.5	Confident	8 Å²	8	69.5 Å²	69.5	5%	0.052	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-61.1	140.1	-179.6	-24.3	34.7	0	0	0	111.5	V765 L838 A839 W843 S844	V765-P841 HydrophobicContact CG2-CB 4.2Å; V765-P841 HydrophobicContact CG2-CG 3.67Å; L838-P841 HydrophobicContact CD2-CG 4.43Å; A839-P841 WeakPolarHBondContact O-CD 3.26Å; P841-W843 VanDerWaalsContact C-N 3.33Å; P841-W843 HydrophobicContact CB-CD2 4.11Å; P841-W843 HydrophobicContact CB-CH2 4.37Å; P841-W843 HydrophobicContact CB-CZ2 3.8Å; P841-W843 HydrophobicContact CG-CZ2 4.2Å; P841-W843 PolarHBondContact O-N 2.86Å; P841-S844 WeakPolarHBondContact O-CB 3.48Å; P841-S844 PolarHBondContact O-N 3.37Å; P841-S844 PolarHBondContact O-OG 2.59Å
842	P	76.3	Confident	72.4	Confident	35 Å²	35	66.4 Å²	66.4	23%	0.227	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-42.7	-172	20.8	-31.8	0	0	0	112.5	V773 S844	V773-P842 HydrophobicContact CB-CG 4.3Å; P842-S844 VanDerWaalsContact C-N 3.26Å; P842-S844 PolarHBondContact O-N 3.14Å
843	W	84.1	Confident	74.5	Confident	9 Å²	9	61.4 Å²	61.4	3%	0.034	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.8	178	51.2	-103.4	0	0	0	114.7	L761 V765 L768 I783 P784 I787 L807 P841 K845 K846 V847	L761-W843 HydrophobicContact CD1-CH2 4.02Å; V765-W843 HydrophobicContact CG2-CZ2 4.05Å; L768-W843 HydrophobicContact CD1-CZ2 4.27Å; I783-W843 HydrophobicContact CG1-CB 4.42Å; I783-W843 HydrophobicContact CG2-CB 4.05Å; P784-W843 HydrophobicContact CG-CD2 3.73Å; P784-W843 HydrophobicContact CG-CE3 3.87Å; P784-W843 HydrophobicContact CG-CG 4.15Å; P784-W843 HydrophobicContact CG-CH2 4.44Å; P784-W843 HydrophobicContact CG-CZ2 4.3Å; P784-W843 HydrophobicContact CG-CZ3 4.23Å; I787-W843 HydrophobicContact CD1-CH2 3.47Å; I787-W843 VanDerWaalsContact CD1-CH2 3.47Å; I787-W843 HydrophobicContact CD1-CZ2 4.2Å; I787-W843 HydrophobicContact CD1-CZ3 3.66Å; L807-W843 HydrophobicContact CD2-CH2 4.01Å; L807-W843 HydrophobicContact CD2-CZ3 3.76Å; P841-W843 VanDerWaalsContact C-N 3.33Å; P841-W843 HydrophobicContact CB-CD2 4.11Å; P841-W843 HydrophobicContact CB-CH2 4.37Å; P841-W843 HydrophobicContact CB-CZ2 3.8Å; P841-W843 HydrophobicContact CG-CZ2 4.2Å; P841-W843 PolarHBondContact O-N 2.86Å; W843-K845 VanDerWaalsContact C-N 3.27Å; W843-K845 PolarHBondContact O-N 2.84Å; W843-K846 PolarHBondContact O-N 3.16Å; W843-V847 HydrophobicContact CE3-CB 4.41Å; W843-V847 HydrophobicContact CE3-CG2 3.76Å; W843-V847 HydrophobicContact CZ3-CG2 4.26Å; W843-V847 PolarHBondContact O-N 3.03Å; W843-V847 VanDerWaalsContact O-N 3.08Å
844	S	84.6	Confident	76.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-56.5	-39.2	-175	63.6	0	0	0	0	112.6	L840 P841 P842 K846 V847 L848	L840-S844 VanDerWaalsContact CD1-OG 3.27Å; L840-S844 WeakPolarHBondContact CD1-OG 3.36Å; L840-S844 VanDerWaalsContact CG-OG 3.28Å; L840-S844 WeakPolarHBondContact CG-OG 3.15Å; P841-S844 WeakPolarHBondContact O-CB 3.48Å; P841-S844 PolarHBondContact O-N 3.37Å; P841-S844 PolarHBondContact O-OG 2.59Å; P842-S844 VanDerWaalsContact C-N 3.26Å; P842-S844 PolarHBondContact O-N 3.14Å; S844-K846 VanDerWaalsContact C-N 3.28Å; S844-K846 PolarHBondContact O-N 3.49Å; S844-V847 PolarHBondContact O-N 3.15Å; S844-L848 WeakPolarHBondContact O-CB 3.31Å; S844-L848 VanDerWaalsContact O-CG 3.27Å; S844-L848 WeakPolarHBondContact O-CG 3.27Å; S844-L848 PolarHBondContact O-N 2.7Å
845	K	85.5	Confident	78.4	Confident	93 Å²	93	56.2 Å²	56.2	40%	0.404	30%	0.296	S	S	.	.	H	α-helix	trans	-63	-31.5	178.1	-55.7	172.5	-160.9	153.1	0	112.7	D775 L840 W843 K849	D775-K845 IonicContact OD1-NZ 2.7Å; D775-K845 PolarHBondContact OD1-NZ 2.92Å; D775-K845 IonicContact OD2-NZ 2.72Å; D775-K845 PolarHBondContact OD2-NZ 3.33Å; L840-K845 HydrophobicContact CD2-CG 4.45Å; W843-K845 VanDerWaalsContact C-N 3.27Å; W843-K845 PolarHBondContact O-N 2.84Å; K845-K849 WeakPolarHBondContact O-CG 3.48Å
846	K	86.5	Confident	80.1	Confident	52 Å²	52	55 Å²	55	23%	0.226	29%	0.287	C	S	.	.	H	α-helix	trans	-79.4	-42	176.4	-74	-175.3	172.1	-171.9	0	110.3	D780 I783 Y785 W843 S844 K849	D780-K846 IonicContact OD1-NZ 3.25Å; D780-K846 PolarHBondContact OD1-NZ 3.39Å; I783-K846 HydrophobicContact CD1-CB 4.33Å; I783-K846 HydrophobicContact CD1-CD 3.24Å; I783-K846 HydrophobicContact CD1-CG 4.39Å; I783-K846 HydrophobicContact CG1-CD 4.44Å; I783-K846 HydrophobicContact CG2-CB 4.44Å; Y785-K846 HydrophobicContact CE1-CB 4.23Å; W843-K846 PolarHBondContact O-N 3.16Å; S844-K846 VanDerWaalsContact C-N 3.28Å; S844-K846 PolarHBondContact O-N 3.49Å; K846-K849 WeakPolarHBondContact O-CB 3.38Å; K846-K849 PolarHBondContact O-N 2.92Å; K846-K849 VanDerWaalsContact O-N 3.15Å
847	V	87.2	Confident	81.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-40.2	174.4	179.5	0	0	0	0	112.4	I783 I787 W843 S844 K849 T850 M851	I783-V847 HydrophobicContact CG2-CG2 4.09Å; I787-V847 HydrophobicContact CB-CG1 4.18Å; I787-V847 HydrophobicContact CG2-CG1 4.17Å; W843-V847 HydrophobicContact CE3-CB 4.41Å; W843-V847 HydrophobicContact CE3-CG2 3.76Å; W843-V847 HydrophobicContact CZ3-CG2 4.26Å; W843-V847 PolarHBondContact O-N 3.03Å; W843-V847 VanDerWaalsContact O-N 3.08Å; S844-V847 PolarHBondContact O-N 3.15Å; V847-K849 PolarHBondContact O-N 3.13Å; V847-K849 VanDerWaalsContact O-N 3.11Å; V847-T850 PolarHBondContact O-N 2.99Å; V847-T850 PolarHBondContact O-OG1 3.07Å; V847-M851 HydrophobicContact CG1-CE 4.13Å
848	L	88.7	Confident	83.3	Confident	37 Å²	37	49.6 Å²	49.6	19%	0.194	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-17	174.7	-75.6	172.6	0	0	0	114	L804 L807 Q808 S844 T850 M851 R863	L804-L848 HydrophobicContact CD1-CD2 3.6Å; L807-L848 HydrophobicContact CB-CD2 4.28Å; L807-L848 WeakPolarHBondContact O-CD1 3.26Å; Q808-L848 HydrophobicContact CG-CD1 3.75Å; Q808-L848 HydrophobicContact CG-CD2 3.84Å; Q808-L848 HydrophobicContact CG-CG 4.49Å; S844-L848 WeakPolarHBondContact O-CB 3.31Å; S844-L848 VanDerWaalsContact O-CG 3.27Å; S844-L848 WeakPolarHBondContact O-CG 3.27Å; S844-L848 PolarHBondContact O-N 2.7Å; L848-T850 VanDerWaalsContact C-N 3.35Å; L848-M851 HydrophobicContact CD2-CE 4.17Å; L848-R863 PolarHBondContact O-NH2 2.96Å
849	K	89.4	Confident	84.7	Confident	136 Å²	136	47.8 Å²	47.8	59%	0.591	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.6	173.6	-70.2	170.7	-176.4	178.5	0	113.4	K845 K846 V847 R863	K845-K849 WeakPolarHBondContact O-CG 3.48Å; K846-K849 WeakPolarHBondContact O-CB 3.38Å; K846-K849 PolarHBondContact O-N 2.92Å; K846-K849 VanDerWaalsContact O-N 3.15Å; V847-K849 PolarHBondContact O-N 3.13Å; V847-K849 VanDerWaalsContact O-N 3.11Å; K849-R863 VanDerWaalsContact O-CD 3.29Å; K849-R863 WeakPolarHBondContact O-CD 3.48Å; K849-R863 PolarHBondContact O-NE 2.97Å; K849-R863 PolarHBondContact O-NH1 3.14Å
850	T	89.1	Confident	85.9	Confident	45 Å²	45	43.7 Å²	43.7	28%	0.276	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-19.9	177.3	69.8	0	0	0	0	112.9	Y785 V847 L848 L862 R863	Y785-T850 HydrophobicContact CD1-CG2 4.11Å; Y785-T850 HydrophobicContact CE1-CG2 4.48Å; V847-T850 PolarHBondContact O-N 2.99Å; V847-T850 PolarHBondContact O-OG1 3.07Å; L848-T850 VanDerWaalsContact C-N 3.35Å; T850-L862 CarbonylContact O-C 3.59Å; T850-L862 WeakPolarHBondContact O-CA 3.32Å; T850-R863 PolarHBondContact O-N 3.5Å
851	M	90	Very high	86.8	Confident	7 Å²	7	40.6 Å²	40.6	3%	0.034	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	159.6	-176.2	-66.1	-178.2	-69.7	0	0	113.9	I791 L804 L807 V847 L848 V860 C861 L862 R863	I791-M851 HydrophobicContact CB-SD 4.01Å; I791-M851 HydrophobicContact CD1-CE 4.22Å; I791-M851 HydrophobicContact CD1-SD 4.2Å; I791-M851 HydrophobicContact CG2-SD 4.06Å; L804-M851 HydrophobicContact CD1-CE 4.09Å; L807-M851 HydrophobicContact CD1-CE 4.19Å; V847-M851 HydrophobicContact CG1-CE 4.13Å; L848-M851 HydrophobicContact CD2-CE 4.17Å; M851-V860 HydrophobicContact CB-CG1 4.31Å; M851-V860 HydrophobicContact CG-CG1 4.46Å; M851-V860 HydrophobicContact SD-CG1 4.01Å; M851-C861 CarbonylContact C-O 3.57Å; M851-C861 WeakPolarHBondContact CA-O 3.32Å; M851-L862 HydrophobicContact CG-CD2 4.21Å; M851-R863 PolarHBondContact O-NE 2.99Å
852	Q	89.6	Confident	87.5	Confident	88 Å²	88	41.5 Å²	41.5	41%	0.411	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	144.2	168.7	-177.1	167.8	-22.5	0	0	110.5	C861 R863 L866	Q852-C861 PolarHBondContact N-O 3.18Å; Q852-C861 PolarHBondContact O-N 3.39Å; Q852-C861 VanDerWaalsContact O-O 3.07Å; Q852-R863 HydrophobicContact CB-CG 3.83Å; Q852-L866 HydrophobicContact CB-CD2 4.25Å; Q852-L866 HydrophobicContact CG-CD2 3.74Å
853	T	90.6	Very high	88.2	Confident	27 Å²	27	45.9 Å²	45.9	17%	0.166	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	136.3	173.4	48.6	0	0	0	0	111.7	L804 Q859 V860	L804-T853 HydrophobicContact CD2-CG2 3.42Å; L804-T853 VanDerWaalsContact CD2-CG2 3.42Å; T853-Q859 CarbonylContact C-O 3.44Å; T853-Q859 WeakPolarHBondContact CA-O 3.27Å; T853-V860 HydrophobicContact CG2-CG2 4.15Å
854	C	90.2	Very high	88.5	Confident	5 Å²	5	52.5 Å²	52.5	3%	0.034	25%	0.25	C	S	.	.			trans	-61	139.1	158.2	-175	0	0	0	0	110	R801 C857 G858 Q859 L866 H874	R801-C854 PolarHBondContact NH2-O 2.87Å; C854-C857 VanDerWaalsContact CB-SG 3.59Å; C854-C857 VanDerWaalsContact SG-SG 3.61Å; C854-G858 WeakPolarHBondContact O-CA 3.26Å; C854-Q859 PolarHBondContact N-O 2.82Å; C854-L866 HydrophobicContact CB-CD1 4.23Å; C854-H874 PolarHBondContact SG-NE2 2.69Å; C854-H874 VanDerWaalsContact SG-NE2 3.42Å
855	Q	85.4	Confident	88.6	Confident	163 Å²	163	53.3 Å²	53.3	76%	0.762	25%	0.254	S	S	*	.	S	Bend	trans	-87	-18.7	-178.2	-61.2	-64.5	-21	0	0	113.1
856	E	82.7	Confident	88.7	Confident	109 Å²	109	49.7 Å²	49.7	51%	0.509	24%	0.24	S	C	.	.	S	Bend	trans	-94.7	-61.7	-177.5	-71.9	-179.5	-134.4	0	0	112.1	H874	E856-H874 WeakPolarHBondContact CB-CE1 3.38Å; E856-H874 IonicContact OE2-CE1 3.6Å; E856-H874 IonicContact OE2-CG 3.5Å; E856-H874 IonicContact OE2-ND1 2.81Å; E856-H874 PolarHBondContact OE2-ND1 3.1Å
857	C	86.3	Confident	88.8	Confident	25 Å²	25	50.7 Å²	50.7	17%	0.169	25%	0.251	C	S	.	.	S	Bend	trans	-82.3	-21.2	-179.4	70.4	0	0	0	0	114.3	S708 C854 Q859 H869	S708-C857 PolarHBondContact OG-O 2.67Å; C854-C857 VanDerWaalsContact CB-SG 3.59Å; C854-C857 VanDerWaalsContact SG-SG 3.61Å; C857-Q859 VanDerWaalsContact SG-CB 3.54Å; C857-Q859 PolarHBondContact SG-N 2.87Å; C857-H869 PolarHBondContact SG-NE2 3.22Å
858	G	86.6	Confident	88.9	Confident	3 Å²	3	53.2 Å²	53.2	3%	0.031	27%	0.267	C	S	.	.			trans	92.7	-13.4	-177.3	0	0	0	0	0	116.5	R801 C854	R801-G858 VanDerWaalsContact CZ-O 3.24Å; R801-G858 PolarHBondContact NE-O 3.47Å; R801-G858 PolarHBondContact NH2-O 3.42Å; C854-G858 WeakPolarHBondContact O-CA 3.26Å
859	Q	91.5	Very high	88.9	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.019	26%	0.259	C	S	.	.			trans	-53.6	145.2	-175.6	-170.8	170.4	-38.5	0	0	113.5	Y710 I711 I797 T853 C854 C857 H869	Y710-Q859 HydrophobicContact CD2-CG 4.19Å; Y710-Q859 VanDerWaalsContact CE2-NE2 3.34Å; I711-Q859 PolarHBondContact O-NE2 3.44Å; I711-Q859 PolarHBondContact O-OE1 3.25Å; I797-Q859 HydrophobicContact CD1-CB 3.91Å; I797-Q859 HydrophobicContact CD1-CG 4.34Å; I797-Q859 HydrophobicContact CG1-CB 4.11Å; I797-Q859 HydrophobicContact CG1-CG 4.19Å; T853-Q859 CarbonylContact C-O 3.44Å; T853-Q859 WeakPolarHBondContact CA-O 3.27Å; C854-Q859 PolarHBondContact N-O 2.82Å; C857-Q859 VanDerWaalsContact SG-CB 3.54Å; C857-Q859 PolarHBondContact SG-N 2.87Å; Q859-H869 PolarHBondContact OE1-CE1 2.91Å; Q859-H869 VanDerWaalsContact OE1-CE1 3.28Å
860	V	91.5	Very high	88.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	119.1	172.5	-172	0	0	0	0	108.9	I791 S792 Q800 L804 M851 T853	I791-V860 HydrophobicContact CG2-CB 4.34Å; I791-V860 HydrophobicContact CG2-CG1 4.03Å; S792-V860 WeakPolarHBondContact CA-O 3.3Å; Q800-V860 HydrophobicContact CB-CB 4.02Å; Q800-V860 HydrophobicContact CB-CG2 3.66Å; L804-V860 HydrophobicContact CB-CG2 4.41Å; L804-V860 HydrophobicContact CD2-CG1 4.38Å; L804-V860 HydrophobicContact CD2-CG2 3.94Å; M851-V860 HydrophobicContact CB-CG1 4.31Å; M851-V860 HydrophobicContact CG-CG1 4.46Å; M851-V860 HydrophobicContact SD-CG1 4.01Å; T853-V860 HydrophobicContact CG2-CG2 4.15Å
861	C	91.2	Very high	88.7	Confident	7 Å²	7	52.6 Å²	52.6	5%	0.047	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	162	178.3	-59	0	0	0	0	110.1	M851 Q852 L866 H869	M851-C861 CarbonylContact C-O 3.57Å; M851-C861 WeakPolarHBondContact CA-O 3.32Å; Q852-C861 PolarHBondContact N-O 3.18Å; Q852-C861 PolarHBondContact O-N 3.39Å; Q852-C861 VanDerWaalsContact O-O 3.07Å; C861-L866 HydrophobicContact CB-CD1 4.48Å; C861-H869 VanDerWaalsContact SG-CG 3.59Å
862	L	90.9	Very high	88.5	Confident	27 Å²	27	56.9 Å²	56.9	14%	0.141	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	150.5	156.4	-57.3	172.4	0	0	0	108.6	P789 T850 M851 I864 D865 L866	P789-L862 HydrophobicContact CG-CD1 4.12Å; P789-L862 HydrophobicContact CG-CD2 4.44Å; T850-L862 CarbonylContact O-C 3.59Å; T850-L862 WeakPolarHBondContact O-CA 3.32Å; M851-L862 HydrophobicContact CG-CD2 4.21Å; L862-I864 PolarHBondContact O-N 2.89Å; L862-D865 WeakPolarHBondContact CB-OD2 3.27Å; L862-D865 PolarHBondContact O-N 2.97Å; L862-L866 PolarHBondContact O-N 2.67Å
863	R	90.6	Very high	88.1	Confident	126 Å²	126	54.1 Å²	54.1	48%	0.475	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.9	-179.4	-71.6	179.5	-172.6	-171.4	3.1	113.6	L848 K849 T850 M851 Q852 D865	L848-R863 PolarHBondContact O-NH2 2.96Å; K849-R863 VanDerWaalsContact O-CD 3.29Å; K849-R863 WeakPolarHBondContact O-CD 3.48Å; K849-R863 PolarHBondContact O-NE 2.97Å; K849-R863 PolarHBondContact O-NH1 3.14Å; T850-R863 PolarHBondContact O-N 3.5Å; M851-R863 PolarHBondContact O-NE 2.99Å; Q852-R863 HydrophobicContact CB-CG 3.83Å; R863-D865 VanDerWaalsContact C-N 3.35Å
864	I	89.4	Confident	87.8	Confident	149 Å²	149	53.8 Å²	53.8	76%	0.764	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-33.4	177.4	-55.5	175	0	0	0	110.8	L862 P867	L862-I864 PolarHBondContact O-N 2.89Å; I864-P867 WeakPolarHBondContact O-CD 3.4Å
865	D	88.3	Confident	86.7	Confident	16 Å²	16	57 Å²	57	9%	0.086	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-13.5	-177.2	-59.2	-55.2	0	0	0	114.1	R719 L862 R863 P867 T868 H869	R719-D865 IonicContact CZ-OD1 3.13Å; R719-D865 IonicContact CZ-OD2 3.07Å; R719-D865 IonicContact NH1-OD1 2.73Å; R719-D865 PolarHBondContact NH1-OD1 3.31Å; R719-D865 IonicContact NH1-OD2 3.97Å; R719-D865 PolarHBondContact NH1-OD2 2.76Å; R719-D865 IonicContact NH2-OD1 3.07Å; R719-D865 PolarHBondContact NH2-OD1 2.93Å; L862-D865 WeakPolarHBondContact CB-OD2 3.27Å; L862-D865 PolarHBondContact O-N 2.97Å; R863-D865 VanDerWaalsContact C-N 3.35Å; D865-P867 VanDerWaalsContact C-CD 3.46Å; D865-P867 VanDerWaalsContact C-N 3.35Å; D865-T868 WeakPolarHBondContact O-CB 3.15Å; D865-T868 PolarHBondContact O-N 3Å; D865-T868 VanDerWaalsContact O-N 3.15Å; D865-H869 WeakPolarHBondContact O-CB 3.46Å; D865-H869 PolarHBondContact O-N 3.21Å
866	L	87.7	Confident	85.3	Confident	18 Å²	18	56 Å²	56	9%	0.094	30%	0.301	C	S	.	.	H	α-helix	trans	-57.9	-38.8	-176.4	-175.2	63.9	0	0	0	113.6	Q852 C854 C861 L862 H869 M870	Q852-L866 HydrophobicContact CB-CD2 4.25Å; Q852-L866 HydrophobicContact CG-CD2 3.74Å; C854-L866 HydrophobicContact CB-CD1 4.23Å; C861-L866 HydrophobicContact CB-CD1 4.48Å; L862-L866 PolarHBondContact O-N 2.67Å; L866-H869 PolarHBondContact O-N 3.43Å; L866-M870 HydrophobicContact CD1-CG 4.35Å; L866-M870 HydrophobicContact CG-SD 4.39Å; L866-M870 WeakPolarHBondContact O-CB 3.29Å; L866-M870 WeakPolarHBondContact O-CG 3.38Å; L866-M870 PolarHBondContact O-N 3.29Å
867	P	87.7	Confident	83.7	Confident	72 Å²	72	54.2 Å²	54.2	47%	0.468	30%	0.3	S	S	.	.	H	α-helix	trans	-59.6	-51.6	172	-22.4	34.6	0	0	0	111.8	I864 D865 H869 M870 E871	I864-P867 WeakPolarHBondContact O-CD 3.4Å; D865-P867 VanDerWaalsContact C-CD 3.46Å; D865-P867 VanDerWaalsContact C-N 3.35Å; P867-H869 VanDerWaalsContact C-N 3.28Å; P867-H869 PolarHBondContact O-N 3.37Å; P867-M870 PolarHBondContact O-N 3.32Å; P867-E871 PolarHBondContact O-N 3.26Å
868	T	88.6	Confident	81.9	Confident	53 Å²	53	60.5 Å²	60.5	33%	0.325	32%	0.322	S	S	.	.	H	α-helix	trans	-58.8	-38.9	178.1	-37.4	0	0	0	0	112.1	D865 E871 L872	D865-T868 WeakPolarHBondContact O-CB 3.15Å; D865-T868 PolarHBondContact O-N 3Å; D865-T868 VanDerWaalsContact O-N 3.15Å; T868-E871 PolarHBondContact O-N 3.49Å; T868-L872 HydrophobicContact CG2-CD1 4.14Å; T868-L872 WeakPolarHBondContact O-CB 3.37Å; T868-L872 VanDerWaalsContact O-CG 3.25Å; T868-L872 WeakPolarHBondContact O-CG 3.27Å; T868-L872 PolarHBondContact O-N 3.15Å
869	H	88.7	Confident	79.9	Confident	10 Å²	10	69.3 Å²	69.3	5%	0.046	36%	0.362	C	S	.	.	H	α-helix	trans	-67.4	-41.7	174.2	174.8	77.9	0	0	0	111.7	C857 Q859 C861 D865 L866 P867 E871 L872 A873	C857-H869 PolarHBondContact SG-NE2 3.22Å; Q859-H869 PolarHBondContact OE1-CE1 2.91Å; Q859-H869 VanDerWaalsContact OE1-CE1 3.28Å; C861-H869 VanDerWaalsContact SG-CG 3.59Å; D865-H869 WeakPolarHBondContact O-CB 3.46Å; D865-H869 PolarHBondContact O-N 3.21Å; L866-H869 PolarHBondContact O-N 3.43Å; P867-H869 VanDerWaalsContact C-N 3.28Å; P867-H869 PolarHBondContact O-N 3.37Å; H869-E871 VanDerWaalsContact C-N 3.31Å; H869-E871 PolarHBondContact O-N 3.05Å; H869-L872 PolarHBondContact O-N 3.05Å; H869-A873 WeakPolarHBondContact O-CB 3.28Å; H869-A873 PolarHBondContact O-N 3.37Å
870	M	88.6	Confident	77.3	Confident	64 Å²	64	78.5 Å²	78.5	32%	0.315	40%	0.402	S	S	.	.	H	α-helix	trans	-63.7	-36.3	174.6	-73.9	-177.8	65.5	0	0	112.2	L866 P867 H874 S875 Y878	L866-M870 HydrophobicContact CD1-CG 4.35Å; L866-M870 HydrophobicContact CG-SD 4.39Å; L866-M870 WeakPolarHBondContact O-CB 3.29Å; L866-M870 WeakPolarHBondContact O-CG 3.38Å; L866-M870 PolarHBondContact O-N 3.29Å; P867-M870 PolarHBondContact O-N 3.32Å; M870-H874 CarbonylContact O-C 3.36Å; M870-H874 VanDerWaalsContact O-CA 3.29Å; M870-H874 WeakPolarHBondContact O-CA 3.41Å; M870-H874 WeakPolarHBondContact O-CB 3.37Å; M870-H874 PolarHBondContact O-N 3.5Å; M870-S875 PolarHBondContact O-N 3.01Å; M870-Y878 HydrophobicContact CE-CE2 4.31Å
871	E	86.8	Confident	74.7	Confident	131 Å²	131	91.1 Å²	91.1	61%	0.612	46%	0.457	S	S	*	.	H	α-helix	trans	-68.3	-43.5	173.5	-71.1	170.2	-169.9	0	0	112.2	P867 T868 H869 S875	P867-E871 PolarHBondContact O-N 3.26Å; T868-E871 PolarHBondContact O-N 3.49Å; H869-E871 VanDerWaalsContact C-N 3.31Å; H869-E871 PolarHBondContact O-N 3.05Å; E871-S875 WeakPolarHBondContact O-CB 3.38Å; E871-S875 PolarHBondContact O-OG 2.66Å
872	L	85.4	Confident	73.9	Confident	97 Å²	97	95.4 Å²	95.4	51%	0.508	48%	0.477	S	S	.	.	H	α-helix	trans	-74.8	-27.3	179.8	-69.8	171.5	0	0	0	114	I711 T868 H869	I711-L872 HydrophobicContact CG2-CB 4.09Å; T868-L872 HydrophobicContact CG2-CD1 4.14Å; T868-L872 WeakPolarHBondContact O-CB 3.37Å; T868-L872 VanDerWaalsContact O-CG 3.25Å; T868-L872 WeakPolarHBondContact O-CG 3.27Å; T868-L872 PolarHBondContact O-N 3.15Å; H869-L872 PolarHBondContact O-N 3.05Å
873	A	80.5	Confident	73	Confident	30 Å²	30	98.9 Å²	98.9	25%	0.248	50%	0.495	C	S	.	.	H	α-helix	trans	-107.9	-29.2	-173.4	0	0	0	0	0	114.7	I711 H869	I711-A873 HydrophobicContact CD1-CB 3.32Å; H869-A873 WeakPolarHBondContact O-CB 3.28Å; H869-A873 PolarHBondContact O-N 3.37Å
874	H	84.8	Confident	72	Confident	21 Å²	21	97.4 Å²	97.4	10%	0.097	50%	0.496	C	S	.	.	H	α-helix	trans	-131.8	11.3	-165.9	-59	-73	0	0	0	113.7	C854 E856 M870 V876 S877	C854-H874 PolarHBondContact SG-NE2 2.69Å; C854-H874 VanDerWaalsContact SG-NE2 3.42Å; E856-H874 WeakPolarHBondContact CB-CE1 3.38Å; E856-H874 IonicContact OE2-CE1 3.6Å; E856-H874 IonicContact OE2-CG 3.5Å; E856-H874 IonicContact OE2-ND1 2.81Å; E856-H874 PolarHBondContact OE2-ND1 3.1Å; M870-H874 CarbonylContact O-C 3.36Å; M870-H874 VanDerWaalsContact O-CA 3.29Å; M870-H874 WeakPolarHBondContact O-CA 3.41Å; M870-H874 WeakPolarHBondContact O-CB 3.37Å; M870-H874 PolarHBondContact O-N 3.5Å; H874-V876 PolarHBondContact O-N 2.88Å; H874-V876 VanDerWaalsContact O-N 3.17Å; H874-S877 VanDerWaalsContact O-CB 3.28Å; H874-S877 WeakPolarHBondContact O-CB 3.39Å; H874-S877 PolarHBondContact O-N 3.49Å; H874-S877 PolarHBondContact O-OG 2.7Å
875	S	68.5	Low	71	Confident	72 Å²	72	94.4 Å²	94.4	50%	0.503	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-59.1	-26.4	-179.2	37.4	0	0	0	0	114.8	M870 E871 S877	M870-S875 PolarHBondContact O-N 3.01Å; E871-S875 WeakPolarHBondContact O-CB 3.38Å; E871-S875 PolarHBondContact O-OG 2.66Å; S875-S877 PolarHBondContact O-N 2.7Å
876	V	55.3	Low	69.9	Low	143 Å²	143	99.3 Å²	99.3	87%	0.867	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-70.5	-14.8	176.3	-169.4	0	0	0	0	112.4	H874	H874-V876 PolarHBondContact O-N 2.88Å; H874-V876 VanDerWaalsContact O-N 3.17Å
877	S	49.2	Very low	68.7	Low	70 Å²	70	104.7 Å²	104.7	49%	0.49	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-83.2	-19.4	-175.1	-60.6	0	0	0	0	114.8	H874 S875	H874-S877 VanDerWaalsContact O-CB 3.28Å; H874-S877 WeakPolarHBondContact O-CB 3.39Å; H874-S877 PolarHBondContact O-N 3.49Å; H874-S877 PolarHBondContact O-OG 2.7Å; S875-S877 PolarHBondContact O-N 2.7Å
878	Y	48.1	Very low	67.3	Low	157 Å²	157	107.1 Å²	107.1	62%	0.616	54%	0.537	S	S	*	.	S	Bend	trans	-94.4	-17.8	-165.7	-94.7	-88.6	0	0	0	116.3	M870 K880	M870-Y878 HydrophobicContact CE-CE2 4.31Å; Y878-K880 PolarHBondContact O-N 3.08Å; Y878-K880 VanDerWaalsContact O-N 3.08Å
879	E	44	Very low	65.7	Low	189 Å²	189	111.2 Å²	111.2	88%	0.883	55%	0.553	S	S	*	*	S	Bend	trans	-78.2	17.3	-180	-63.7	-165.4	129.9	0	0	114.9
880	K	38	Very low	63.8	Low	197 Å²	197	119.7 Å²	119.7	86%	0.857	60%	0.596	S	S	*	*			trans	-136.6	51.4	179.9	-76.3	-172.1	175.3	170.8	0	113.9	Y878	Y878-K880 PolarHBondContact O-N 3.08Å; Y878-K880 VanDerWaalsContact O-N 3.08Å
881	K	36.2	Very low	61.5	Low	265 Å²	265	124.7 Å²	124.7	100%	1.152	62%	0.621	S	S	*	*			trans	-138.9	0	167.7	-103.6	-179.7	179.2	169.5	0	112.1

Retrieved 881 of 881 residues in 1051.2 ms (Link to these results)

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