A0A3Q0KR74_SCHMA Loading...

Ima1_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KR74, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 613 aa.

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(Predicted Aligned Error values between residue pairs)

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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	63.2	Low	77.3	Confident	184 Å²	184	106.8 Å²	106.8	91%	0.906	60%	0.596	S	S	*	*				0	-56	0	-69.5	-59.6	113.6	0	0	112.6	V3 L4 A5	M1-V3 PolarHBondContact O-N 2.92Å; M1-L4 HydrophobicContact CE-CD1 4.07Å; M1-L4 PolarHBondContact O-N 3.47Å; M1-A5 PolarHBondContact O-N 3.36Å
2	L	71.2	Confident	77.4	Confident	137 Å²	137	102.9 Å²	102.9	72%	0.717	58%	0.581	S	S	*	*	H	α-helix	trans	-61.6	-40.9	-179.3	-158.3	127.7	0	0	0	113.8	A5 L6	L2-A5 PolarHBondContact O-N 3.47Å; L2-L6 HydrophobicContact CD2-CD1 3.84Å; L2-L6 WeakPolarHBondContact O-CG 3.42Å; L2-L6 PolarHBondContact O-N 3.4Å
3	V	75.3	Confident	77	Confident	104 Å²	104	99 Å²	99	63%	0.63	57%	0.57	S	S	*	*	H	α-helix	trans	-62.1	-44.7	174.4	178.6	0	0	0	0	111.8	M1 A5 L6 C7	M1-V3 PolarHBondContact O-N 2.92Å; V3-A5 PolarHBondContact O-N 3.37Å; V3-L6 WeakPolarHBondContact O-CB 3.13Å; V3-L6 PolarHBondContact O-N 2.95Å; V3-C7 PolarHBondContact O-N 3.1Å; V3-C7 PolarHBondContact O-SG 2.91Å
4	L	76.1	Confident	76.9	Confident	102 Å²	102	100.7 Å²	100.7	53%	0.534	57%	0.567	S	S	.	*	H	α-helix	trans	-62.8	-41.6	176.9	-99.4	154.2	0	0	0	112.1	M1 C7 L8	M1-L4 HydrophobicContact CE-CD1 4.07Å; M1-L4 PolarHBondContact O-N 3.47Å; L4-C7 PolarHBondContact O-N 3.44Å; L4-L8 WeakPolarHBondContact O-CB 3.31Å; L4-L8 WeakPolarHBondContact O-CG 3.25Å; L4-L8 PolarHBondContact O-N 3.39Å
5	A	81.3	Confident	76.6	Confident	65 Å²	65	97.9 Å²	97.9	54%	0.537	55%	0.554	S	S	.	*	H	α-helix	trans	-63.8	-40.6	175	0	0	0	0	0	111.9	M1 L2 V3 G9	M1-A5 PolarHBondContact O-N 3.36Å; L2-A5 PolarHBondContact O-N 3.47Å; V3-A5 PolarHBondContact O-N 3.37Å; A5-G9 PolarHBondContact O-N 3.2Å
6	L	80.3	Confident	76.4	Confident	103 Å²	103	97.8 Å²	97.8	54%	0.539	56%	0.555	S	S	.	*	H	α-helix	trans	-63.3	-45.3	173	-75.5	167.7	0	0	0	111.6	L2 V3 G9 L10	L2-L6 HydrophobicContact CD2-CD1 3.84Å; L2-L6 WeakPolarHBondContact O-CG 3.42Å; L2-L6 PolarHBondContact O-N 3.4Å; V3-L6 WeakPolarHBondContact O-CB 3.13Å; V3-L6 PolarHBondContact O-N 2.95Å; L6-G9 PolarHBondContact O-N 3.29Å; L6-L10 WeakPolarHBondContact O-CB 3.49Å; L6-L10 VanDerWaalsContact O-CG 3.24Å; L6-L10 WeakPolarHBondContact O-CG 3.42Å; L6-L10 PolarHBondContact O-N 2.67Å
7	C	78	Confident	76.1	Confident	71 Å²	71	96.9 Å²	96.9	48%	0.48	54%	0.544	S	S	.	.	H	α-helix	trans	-61.8	-44.7	178	-69	0	0	0	0	112.3	V3 L4 L10 F11	V3-C7 PolarHBondContact O-N 3.1Å; V3-C7 PolarHBondContact O-SG 2.91Å; L4-C7 PolarHBondContact O-N 3.44Å; C7-L10 PolarHBondContact O-N 3.22Å; C7-F11 WeakPolarHBondContact O-CB 3.33Å; C7-F11 PolarHBondContact O-N 2.92Å
8	L	83.1	Confident	75.9	Confident	115 Å²	115	94.7 Å²	94.7	60%	0.602	53%	0.53	S	S	*	.	H	α-helix	trans	-66.8	-39.3	176.1	-72.6	168.7	0	0	0	111.9	L4 F11 S12	L4-L8 WeakPolarHBondContact O-CB 3.31Å; L4-L8 WeakPolarHBondContact O-CG 3.25Å; L4-L8 PolarHBondContact O-N 3.39Å; L8-F11 PolarHBondContact O-N 3.41Å; L8-S12 WeakPolarHBondContact O-CB 3.41Å; L8-S12 PolarHBondContact O-N 3.05Å; L8-S12 PolarHBondContact O-OG 2.94Å
9	G	78.4	Confident	75.6	Confident	36 Å²	36	94.3 Å²	94.3	37%	0.371	53%	0.53	S	S	.	.	H	α-helix	trans	-59.5	-47.9	173.2	0	0	0	0	0	111.9	A5 L6 S12 A13	A5-G9 PolarHBondContact O-N 3.2Å; L6-G9 PolarHBondContact O-N 3.29Å; G9-S12 PolarHBondContact O-N 3.5Å; G9-S12 PolarHBondContact O-OG 3.4Å; G9-A13 VanDerWaalsContact O-CB 3.32Å; G9-A13 WeakPolarHBondContact O-CB 3.37Å; G9-A13 PolarHBondContact O-N 2.88Å
10	L	80.9	Confident	75.1	Confident	124 Å²	124	96.6 Å²	96.6	65%	0.649	53%	0.53	S	S	*	.	H	α-helix	trans	-64.5	-42	176.5	-70.8	171.9	0	0	0	112.3	L6 C7 A13 F14	L6-L10 WeakPolarHBondContact O-CB 3.49Å; L6-L10 VanDerWaalsContact O-CG 3.24Å; L6-L10 WeakPolarHBondContact O-CG 3.42Å; L6-L10 PolarHBondContact O-N 2.67Å; C7-L10 PolarHBondContact O-N 3.22Å; L10-A13 PolarHBondContact O-N 2.97Å; L10-F14 WeakPolarHBondContact O-CB 3Å; L10-F14 PolarHBondContact O-N 2.91Å
11	F	82.2	Confident	74.7	Confident	134 Å²	134	96.5 Å²	96.5	59%	0.588	52%	0.524	S	S	*	.	H	α-helix	trans	-63.3	-46.4	176.7	-177.1	-100.5	0	0	0	111.5	C7 L8 A13 F14 T15	C7-F11 WeakPolarHBondContact O-CB 3.33Å; C7-F11 PolarHBondContact O-N 2.92Å; L8-F11 PolarHBondContact O-N 3.41Å; F11-A13 PolarHBondContact O-N 3.35Å; F11-F14 WeakPolarHBondContact O-CB 3.5Å; F11-F14 PolarHBondContact O-N 3.27Å; F11-T15 HydrophobicContact CE1-CG2 4.18Å; F11-T15 HydrophobicContact CZ-CG2 4.16Å; F11-T15 PolarHBondContact O-N 3.38Å; F11-T15 PolarHBondContact O-OG1 2.97Å
12	S	78.4	Confident	75.1	Confident	60 Å²	60	93.5 Å²	93.5	42%	0.42	51%	0.507	S	S	.	.	H	α-helix	trans	-61.6	-45.5	177.3	71.6	0	0	0	0	111.8	L8 G9 F14 T15 V16	L8-S12 WeakPolarHBondContact O-CB 3.41Å; L8-S12 PolarHBondContact O-N 3.05Å; L8-S12 PolarHBondContact O-OG 2.94Å; G9-S12 PolarHBondContact O-N 3.5Å; G9-S12 PolarHBondContact O-OG 3.4Å; S12-F14 VanDerWaalsContact C-N 3.31Å; S12-F14 PolarHBondContact O-N 3.42Å; S12-T15 VanDerWaalsContact CA-OG1 3.31Å; S12-T15 WeakPolarHBondContact CA-OG1 3.23Å; S12-T15 PolarHBondContact O-N 2.88Å; S12-T15 PolarHBondContact O-OG1 3.18Å; S12-V16 WeakPolarHBondContact O-CG2 3.11Å; S12-V16 PolarHBondContact O-N 2.94Å
13	A	72.6	Confident	75.4	Confident	52 Å²	52	94 Å²	94	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-61.2	-40.6	175.2	0	0	0	0	0	111.4	G9 L10 F11 V16 F17	G9-A13 VanDerWaalsContact O-CB 3.32Å; G9-A13 WeakPolarHBondContact O-CB 3.37Å; G9-A13 PolarHBondContact O-N 2.88Å; L10-A13 PolarHBondContact O-N 2.97Å; F11-A13 PolarHBondContact O-N 3.35Å; A13-V16 PolarHBondContact O-N 3.06Å; A13-F17 WeakPolarHBondContact O-CB 3.41Å; A13-F17 PolarHBondContact O-N 3.12Å
14	F	76.3	Confident	75.7	Confident	123 Å²	123	90.8 Å²	90.8	54%	0.539	48%	0.479	S	S	.	.	H	α-helix	trans	-63.7	-47.5	174.7	-179.1	-101.6	0	0	0	111.5	L10 F11 S12 V16 F17 I18	L10-F14 WeakPolarHBondContact O-CB 3Å; L10-F14 PolarHBondContact O-N 2.91Å; F11-F14 WeakPolarHBondContact O-CB 3.5Å; F11-F14 PolarHBondContact O-N 3.27Å; S12-F14 VanDerWaalsContact C-N 3.31Å; S12-F14 PolarHBondContact O-N 3.42Å; F14-V16 PolarHBondContact O-N 2.9Å; F14-F17 WeakPolarHBondContact O-CB 3.44Å; F14-F17 PolarHBondContact O-N 3.47Å; F14-I18 HydrophobicContact CD1-CG1 4.08Å; F14-I18 HydrophobicContact CD2-CG1 4.3Å; F14-I18 HydrophobicContact CE1-CD1 4.3Å; F14-I18 HydrophobicContact CE1-CG1 3.75Å; F14-I18 HydrophobicContact CE2-CD1 4.01Å; F14-I18 HydrophobicContact CE2-CG1 3.99Å; F14-I18 HydrophobicContact CG-CG1 4.35Å; F14-I18 HydrophobicContact CZ-CD1 3.78Å; F14-I18 HydrophobicContact CZ-CG1 3.71Å; F14-I18 WeakPolarHBondContact O-CB 2.94Å; F14-I18 WeakPolarHBondContact O-CG1 3.49Å; F14-I18 PolarHBondContact O-N 2.03Å
15	T	71.7	Confident	76.2	Confident	59 Å²	59	94 Å²	94	36%	0.362	49%	0.489	S	S	.	.	H	α-helix	trans	-61.7	-43	175.6	32.2	0	0	0	0	112.8	F11 S12 F17 I18 V19	F11-T15 HydrophobicContact CE1-CG2 4.18Å; F11-T15 HydrophobicContact CZ-CG2 4.16Å; F11-T15 PolarHBondContact O-N 3.38Å; F11-T15 PolarHBondContact O-OG1 2.97Å; S12-T15 VanDerWaalsContact CA-OG1 3.31Å; S12-T15 WeakPolarHBondContact CA-OG1 3.23Å; S12-T15 PolarHBondContact O-N 2.88Å; S12-T15 PolarHBondContact O-OG1 3.18Å; T15-F17 VanDerWaalsContact C-N 3.34Å; T15-I18 PolarHBondContact O-N 3.36Å; T15-V19 VanDerWaalsContact O-CG2 3.3Å; T15-V19 WeakPolarHBondContact O-CG2 3.09Å; T15-V19 PolarHBondContact O-N 2.88Å
16	V	73.2	Confident	76.5	Confident	96 Å²	96	91.7 Å²	91.7	58%	0.582	47%	0.468	S	S	*	.	H	α-helix	trans	-64.2	-41.7	175.8	171.8	0	0	0	0	110.7	S12 A13 F14 V19 R20	S12-V16 WeakPolarHBondContact O-CG2 3.11Å; S12-V16 PolarHBondContact O-N 2.94Å; A13-V16 PolarHBondContact O-N 3.06Å; F14-V16 PolarHBondContact O-N 2.9Å; V16-V19 PolarHBondContact O-N 3.39Å; V16-R20 WeakPolarHBondContact O-CB 3.23Å; V16-R20 PolarHBondContact O-N 3.34Å
17	F	71	Confident	76.9	Confident	82 Å²	82	91.6 Å²	91.6	36%	0.36	47%	0.465	S	S	.	.	H	α-helix	trans	-59.7	-47.7	175.1	177.5	-92.9	0	0	0	111	A13 F14 T15 R20 F21 L290	A13-F17 WeakPolarHBondContact O-CB 3.41Å; A13-F17 PolarHBondContact O-N 3.12Å; F14-F17 WeakPolarHBondContact O-CB 3.44Å; F14-F17 PolarHBondContact O-N 3.47Å; T15-F17 VanDerWaalsContact C-N 3.34Å; F17-R20 PolarHBondContact O-N 3.49Å; F17-F21 HydrophobicContact CE1-CD2 4.4Å; F17-F21 HydrophobicContact CZ-CD2 4.3Å; F17-F21 VanDerWaalsContact O-CB 3.25Å; F17-F21 WeakPolarHBondContact O-CB 3.42Å; F17-F21 PolarHBondContact O-N 3.05Å; F17-L290 HydrophobicContact CD2-CD2 3.74Å; F17-L290 HydrophobicContact CE2-CD1 3.66Å; F17-L290 HydrophobicContact CE2-CD2 3.53Å; F17-L290 HydrophobicContact CE2-CG 4.19Å; F17-L290 HydrophobicContact CZ-CD1 4.41Å
18	I	73.3	Confident	77.6	Confident	57 Å²	57	88.3 Å²	88.3	29%	0.292	44%	0.443	S	S	.	.	H	α-helix	trans	-62.5	-48.2	178.7	-70.5	-67.2	0	0	0	111	F14 T15 R20 F21 F22	F14-I18 HydrophobicContact CD1-CG1 4.08Å; F14-I18 HydrophobicContact CD2-CG1 4.3Å; F14-I18 HydrophobicContact CE1-CD1 4.3Å; F14-I18 HydrophobicContact CE1-CG1 3.75Å; F14-I18 HydrophobicContact CE2-CD1 4.01Å; F14-I18 HydrophobicContact CE2-CG1 3.99Å; F14-I18 HydrophobicContact CG-CG1 4.35Å; F14-I18 HydrophobicContact CZ-CD1 3.78Å; F14-I18 HydrophobicContact CZ-CG1 3.71Å; F14-I18 WeakPolarHBondContact O-CB 2.94Å; F14-I18 WeakPolarHBondContact O-CG1 3.49Å; F14-I18 PolarHBondContact O-N 2.03Å; T15-I18 PolarHBondContact O-N 3.36Å; I18-R20 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 2.88Å; I18-F21 WeakPolarHBondContact O-CB 3.49Å; I18-F21 PolarHBondContact O-N 3.4Å; I18-F21 VanDerWaalsContact O-N 3.15Å; I18-F22 HydrophobicContact CG2-CD2 3.69Å; I18-F22 HydrophobicContact CG2-CE2 3.41Å; I18-F22 VanDerWaalsContact CG2-CE2 3.41Å; I18-F22 WeakPolarHBondContact O-CD2 3.26Å; I18-F22 PolarHBondContact O-N 2.69Å
19	V	70.9	Confident	77.9	Confident	88 Å²	88	92.5 Å²	92.5	53%	0.533	45%	0.451	S	S	.	.	H	α-helix	trans	-60.2	-44.2	176.9	172	0	0	0	0	111	T15 V16 F21 F22 Y23	T15-V19 VanDerWaalsContact O-CG2 3.3Å; T15-V19 WeakPolarHBondContact O-CG2 3.09Å; T15-V19 PolarHBondContact O-N 2.88Å; V16-V19 PolarHBondContact O-N 3.39Å; V19-F21 VanDerWaalsContact C-N 3.29Å; V19-F21 PolarHBondContact O-N 3.18Å; V19-F22 PolarHBondContact O-N 2.96Å; V19-Y23 HydrophobicContact CG1-CD2 4.49Å; V19-Y23 WeakPolarHBondContact O-CD2 3.34Å; V19-Y23 PolarHBondContact O-N 3.42Å
20	R	64	Low	78.6	Confident	140 Å²	140	95 Å²	95	53%	0.528	45%	0.452	S	S	.	.	H	α-helix	trans	-70.2	-26.1	178.4	-164	175.4	178.8	131.7	-4.3	112.7	V16 F17 I18 N292	V16-R20 WeakPolarHBondContact O-CB 3.23Å; V16-R20 PolarHBondContact O-N 3.34Å; F17-R20 PolarHBondContact O-N 3.49Å; I18-R20 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 2.88Å; R20-N292 PolarHBondContact NH2-OD1 3.37Å
21	F	67.3	Low	79	Confident	94 Å²	94	91.5 Å²	91.5	41%	0.412	44%	0.437	S	S	.	.	H	α-helix	trans	-71.7	-33.9	173.4	-162.8	-92.9	0	0	0	111.5	F17 I18 V19	F17-F21 HydrophobicContact CE1-CD2 4.4Å; F17-F21 HydrophobicContact CZ-CD2 4.3Å; F17-F21 VanDerWaalsContact O-CB 3.25Å; F17-F21 WeakPolarHBondContact O-CB 3.42Å; F17-F21 PolarHBondContact O-N 3.05Å; I18-F21 WeakPolarHBondContact O-CB 3.49Å; I18-F21 PolarHBondContact O-N 3.4Å; I18-F21 VanDerWaalsContact O-N 3.15Å; V19-F21 VanDerWaalsContact C-N 3.29Å; V19-F21 PolarHBondContact O-N 3.18Å
22	F	72.6	Confident	79.3	Confident	122 Å²	122	86.7 Å²	86.7	54%	0.535	43%	0.425	S	S	.	.	H	α-helix	trans	-76.8	-23.4	179.7	-78.1	-62.4	0	0	0	114.4	I18 V19 S38 W39	I18-F22 HydrophobicContact CG2-CD2 3.69Å; I18-F22 HydrophobicContact CG2-CE2 3.41Å; I18-F22 VanDerWaalsContact CG2-CE2 3.41Å; I18-F22 WeakPolarHBondContact O-CD2 3.26Å; I18-F22 PolarHBondContact O-N 2.69Å; V19-F22 PolarHBondContact O-N 2.96Å; F22-S38 CarbonylContact O-C 3.05Å; F22-S38 VanDerWaalsContact O-CA 3.25Å; F22-S38 WeakPolarHBondContact O-CA 3.45Å; F22-W39 PolarHBondContact O-N 3.32Å
23	Y	77	Confident	79.8	Confident	146 Å²	146	87.1 Å²	87.1	57%	0.573	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	125	179.7	-68.6	-84.7	0	0	0	112.6	V19	V19-Y23 HydrophobicContact CG1-CD2 4.49Å; V19-Y23 WeakPolarHBondContact O-CD2 3.34Å; V19-Y23 PolarHBondContact O-N 3.42Å
24	L	80.6	Confident	80.6	Confident	37 Å²	37	88.3 Å²	88.3	19%	0.194	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146	-178.6	-64.2	173.5	0	0	0	111.7	S36 T37 W39 K42	L24-S36 CarbonylContact O-C 3.43Å; L24-S36 WeakPolarHBondContact O-CA 3.41Å; L24-T37 PolarHBondContact N-O 3.42Å; L24-T37 PolarHBondContact O-N 3.5Å; L24-W39 HydrophobicContact CD1-CB 4.29Å; L24-W39 HydrophobicContact CD1-CD2 3.81Å; L24-W39 HydrophobicContact CD1-CE3 3.4Å; L24-W39 HydrophobicContact CD1-CG 4.26Å; L24-W39 HydrophobicContact CD1-CZ3 3.85Å; L24-W39 HydrophobicContact CD2-CE3 3.63Å; L24-W39 HydrophobicContact CD2-CZ3 3.67Å; L24-W39 HydrophobicContact CG-CD2 4.48Å; L24-W39 HydrophobicContact CG-CE3 3.72Å; L24-W39 HydrophobicContact CG-CZ3 4.21Å; L24-K42 HydrophobicContact CD1-CB 4.08Å; L24-K42 HydrophobicContact CD1-CD 3.9Å; L24-K42 HydrophobicContact CD1-CG 4.03Å
25	K	87.3	Confident	81.1	Confident	169 Å²	169	83 Å²	83	74%	0.735	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.5	165.6	-66.8	-174.2	180	-175.3	0	109.8	T34 A35	K25-T34 HydrophobicContact CB-CG2 3.85Å; K25-T34 HydrophobicContact CD-CG2 4.18Å; K25-T34 HydrophobicContact CG-CG2 4.26Å; K25-A35 CarbonylContact C-O 3.5Å; K25-A35 WeakPolarHBondContact CA-O 3.38Å
26	V	88	Confident	81.8	Confident	18 Å²	18	84.3 Å²	84.3	11%	0.109	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.9	177.6	-67.2	0	0	0	0	109.7	T34 A35 T37 K42 F45	V26-T34 CarbonylContact O-C 3.57Å; V26-T34 WeakPolarHBondContact O-CA 3.48Å; V26-A35 HydrophobicContact CG2-CB 4.18Å; V26-A35 PolarHBondContact N-O 3.3Å; V26-A35 PolarHBondContact O-N 2.98Å; V26-T37 HydrophobicContact CB-CG2 4.35Å; V26-T37 HydrophobicContact CG1-CG2 3.79Å; V26-T37 HydrophobicContact CG2-CG2 3.58Å; V26-K42 HydrophobicContact CG1-CG 3.94Å; V26-F45 HydrophobicContact CB-CE1 3.91Å; V26-F45 HydrophobicContact CB-CZ 4.13Å; V26-F45 HydrophobicContact CG2-CD1 3.77Å; V26-F45 HydrophobicContact CG2-CD2 4.17Å; V26-F45 HydrophobicContact CG2-CE1 3.42Å; V26-F45 VanDerWaalsContact CG2-CE1 3.42Å; V26-F45 HydrophobicContact CG2-CE2 3.87Å; V26-F45 HydrophobicContact CG2-CG 4.13Å; V26-F45 HydrophobicContact CG2-CZ 3.48Å; V26-F45 VanDerWaalsContact CG2-CZ 3.48Å
27	Q	89.1	Confident	82.3	Confident	100 Å²	100	80.4 Å²	80.4	47%	0.467	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	135.8	178.4	-167.5	174.1	29.4	0	0	110.6	G32 N295	Q27-G32 VanDerWaalsContact CG-O 3.31Å; Q27-G32 WeakPolarHBondContact CG-O 3.3Å; Q27-G32 PolarHBondContact NE2-O 3.5Å; Q27-N295 PolarHBondContact OE1-ND2 3.2Å
28	C	91.4	Very high	82.9	Confident	2 Å²	2	78.2 Å²	78.2	1%	0.014	38%	0.384	C	S	.	.			trans	-71.3	128.4	171.2	-179.9	0	0	0	0	110.8	F30 C31 G32 H33 C47 C50 N54	C28-F30 VanDerWaalsContact C-N 3.29Å; C28-F30 PolarHBondContact O-N 3.13Å; C28-F30 PolarHBondContact SG-N 3.06Å; C28-F30 VanDerWaalsContact SG-N 3.43Å; C28-C31 VanDerWaalsContact SG-SG 3.68Å; C28-G32 VanDerWaalsContact O-CA 3.24Å; C28-G32 WeakPolarHBondContact O-CA 3.46Å; C28-G32 PolarHBondContact O-N 2.93Å; C28-H33 PolarHBondContact N-O 3.09Å; C28-C47 HydrophobicContact CB-CB 3.98Å; C28-C50 VanDerWaalsContact SG-SG 3.63Å; C28-N54 VanDerWaalsContact CA-OD1 3.3Å; C28-N54 WeakPolarHBondContact CA-OD1 3.44Å; C28-N54 PolarHBondContact SG-ND2 3.02Å; C28-N54 VanDerWaalsContact SG-ND2 3.35Å; C28-N54 PolarHBondContact SG-OD1 3.29Å; C28-N54 VanDerWaalsContact SG-OD1 3.41Å
29	W	90.5	Very high	83.3	Confident	204 Å²	204	81.8 Å²	81.8	77%	0.773	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-37.7	175.6	-177.9	-100.5	0	0	0	112.9	N54 F56	W29-N54 PolarHBondContact N-OD1 3.33Å; W29-F56 HydrophobicContact CB-CE2 4.27Å; W29-F56 HydrophobicContact CB-CZ 4.28Å; W29-F56 HydrophobicContact CG-CE2 4.49Å; W29-F56 HydrophobicContact CG-CZ 4.27Å
30	F	92.2	Very high	83.9	Confident	89 Å²	89	82.1 Å²	82.1	39%	0.39	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-43	-171.1	-59.8	-85.4	0	0	0	114.2	C28 Q52 Y53 F56 Y62	C28-F30 VanDerWaalsContact C-N 3.29Å; C28-F30 PolarHBondContact O-N 3.13Å; C28-F30 PolarHBondContact SG-N 3.06Å; C28-F30 VanDerWaalsContact SG-N 3.43Å; F30-Q52 HydrophobicContact CB-CB 4.27Å; F30-Q52 HydrophobicContact CB-CG 4.14Å; F30-Q52 HydrophobicContact CD1-CG 4.41Å; F30-Q52 HydrophobicContact CD2-CB 3.4Å; F30-Q52 VanDerWaalsContact CD2-CB 3.4Å; F30-Q52 HydrophobicContact CD2-CG 4.03Å; F30-Q52 HydrophobicContact CE2-CB 3.86Å; F30-Q52 HydrophobicContact CG-CB 3.83Å; F30-Q52 HydrophobicContact CG-CG 3.92Å; F30-Y53 WeakPolarHBondContact CE2-O 3.16Å; F30-F56 HydrophobicContact CE2-CZ 4.34Å; F30-F56 HydrophobicContact CZ-CZ 4.45Å; F30-Y62 WeakPolarHBondContact CZ-OH 3.47Å
31	C	90.2	Very high	84.9	Confident	50 Å²	50	83 Å²	83	34%	0.338	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-5.3	-175	68.9	0	0	0	0	114.1	C28 H33 C47 C50	C28-C31 VanDerWaalsContact SG-SG 3.68Å; C31-H33 PolarHBondContact O-N 3.43Å; C31-H33 VanDerWaalsContact SG-CB 3.51Å; C31-C47 VanDerWaalsContact SG-SG 3.68Å; C31-C50 HydrophobicContact CB-CB 4.07Å; C31-C50 VanDerWaalsContact SG-SG 3.63Å
32	G	88.6	Confident	85.7	Confident	33 Å²	33	83.7 Å²	83.7	34%	0.34	41%	0.406	S	S	.	.			trans	72.4	-0.7	-177.9	0	0	0	0	0	115.5	Q27 C28	Q27-G32 VanDerWaalsContact CG-O 3.31Å; Q27-G32 WeakPolarHBondContact CG-O 3.3Å; Q27-G32 PolarHBondContact NE2-O 3.5Å; C28-G32 VanDerWaalsContact O-CA 3.24Å; C28-G32 WeakPolarHBondContact O-CA 3.46Å; C28-G32 PolarHBondContact O-N 2.93Å
33	H	88.4	Confident	86.3	Confident	69 Å²	69	82.1 Å²	82.1	32%	0.319	41%	0.407	S	S	.	.			trans	-63.3	140.3	178.1	-179	82.2	0	0	0	112	C28 C31 A35 Q49	C28-H33 PolarHBondContact N-O 3.09Å; C31-H33 PolarHBondContact O-N 3.43Å; C31-H33 VanDerWaalsContact SG-CB 3.51Å; H33-A35 PolarHBondContact O-N 3.33Å; H33-Q49 HydrophobicContact CB-CB 4.08Å; H33-Q49 PolarHBondContact CE1-OE1 2.76Å; H33-Q49 PolarHBondContact ND1-OE1 3.34Å
34	T	90	Very high	87	Confident	76 Å²	76	76.9 Å²	76.9	47%	0.466	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	106.9	175.8	-58.7	0	0	0	0	110.4	K25 V26	K25-T34 HydrophobicContact CB-CG2 3.85Å; K25-T34 HydrophobicContact CD-CG2 4.18Å; K25-T34 HydrophobicContact CG-CG2 4.26Å; V26-T34 CarbonylContact O-C 3.57Å; V26-T34 WeakPolarHBondContact O-CA 3.48Å
35	A	85.3	Confident	87.6	Confident	13 Å²	13	76 Å²	76	11%	0.107	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	151.4	175.1	0	0	0	0	0	111.5	K25 V26 H33 F45	K25-A35 CarbonylContact C-O 3.5Å; K25-A35 WeakPolarHBondContact CA-O 3.38Å; V26-A35 HydrophobicContact CG2-CB 4.18Å; V26-A35 PolarHBondContact N-O 3.3Å; V26-A35 PolarHBondContact O-N 2.98Å; H33-A35 PolarHBondContact O-N 3.33Å; A35-F45 HydrophobicContact CB-CD2 4.11Å; A35-F45 HydrophobicContact CB-CE2 3.78Å
36	S	86.5	Confident	87.9	Confident	86 Å²	86	71.4 Å²	71.4	60%	0.601	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.5	169.9	-171	0	0	0	0	109.2	L24	L24-S36 CarbonylContact O-C 3.43Å; L24-S36 WeakPolarHBondContact O-CA 3.41Å
37	T	84.5	Confident	88.1	Confident	14 Å²	14	70.6 Å²	70.6	9%	0.086	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	158.6	-177.5	-167.1	0	0	0	0	111	L24 V26 R41	L24-T37 PolarHBondContact N-O 3.42Å; L24-T37 PolarHBondContact O-N 3.5Å; V26-T37 HydrophobicContact CB-CG2 4.35Å; V26-T37 HydrophobicContact CG1-CG2 3.79Å; V26-T37 HydrophobicContact CG2-CG2 3.58Å; T37-R41 VanDerWaalsContact OG1-CB 3.24Å; T37-R41 WeakPolarHBondContact OG1-CB 3.39Å; T37-R41 PolarHBondContact OG1-O 2.71Å
38	S	83.7	Confident	88.2	Confident	36 Å²	36	74.2 Å²	74.2	25%	0.252	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	153.8	172.6	61.6	0	0	0	0	110.5	F22 S40 R41 K42	F22-S38 CarbonylContact O-C 3.05Å; F22-S38 VanDerWaalsContact O-CA 3.25Å; F22-S38 WeakPolarHBondContact O-CA 3.45Å; S38-S40 PolarHBondContact O-N 3.4Å; S38-S40 VanDerWaalsContact O-N 3.15Å; S38-S40 PolarHBondContact OG-OG 3.21Å; S38-R41 CarbonylContact O-C 3.53Å; S38-R41 PolarHBondContact O-N 2.96Å; S38-K42 PolarHBondContact O-N 3.25Å
39	W	81.9	Confident	88.1	Confident	131 Å²	131	80.1 Å²	80.1	50%	0.496	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-51.1	-41	175.7	-173.8	-80.1	0	0	0	112.4	F22 L24 R41 K42	F22-W39 PolarHBondContact O-N 3.32Å; L24-W39 HydrophobicContact CD1-CB 4.29Å; L24-W39 HydrophobicContact CD1-CD2 3.81Å; L24-W39 HydrophobicContact CD1-CE3 3.4Å; L24-W39 HydrophobicContact CD1-CG 4.26Å; L24-W39 HydrophobicContact CD1-CZ3 3.85Å; L24-W39 HydrophobicContact CD2-CE3 3.63Å; L24-W39 HydrophobicContact CD2-CZ3 3.67Å; L24-W39 HydrophobicContact CG-CD2 4.48Å; L24-W39 HydrophobicContact CG-CE3 3.72Å; L24-W39 HydrophobicContact CG-CZ3 4.21Å; W39-R41 PolarHBondContact O-N 3.37Å; W39-K42 WeakPolarHBondContact O-CB 3.49Å; W39-K42 PolarHBondContact O-N 3.5Å
40	S	83.4	Confident	88.2	Confident	95 Å²	95	72.6 Å²	72.6	66%	0.664	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-62.3	-21.4	177.7	54	0	0	0	0	115	S38	S38-S40 PolarHBondContact O-N 3.4Å; S38-S40 VanDerWaalsContact O-N 3.15Å; S38-S40 PolarHBondContact OG-OG 3.21Å
41	R	84.2	Confident	88.1	Confident	158 Å²	158	70.8 Å²	70.8	60%	0.596	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-113.7	17.2	-177.3	-68.9	-174.9	-172.8	179.4	2.9	113	T37 S38 W39 T43 S44	T37-R41 VanDerWaalsContact OG1-CB 3.24Å; T37-R41 WeakPolarHBondContact OG1-CB 3.39Å; T37-R41 PolarHBondContact OG1-O 2.71Å; S38-R41 CarbonylContact O-C 3.53Å; S38-R41 PolarHBondContact O-N 2.96Å; W39-R41 PolarHBondContact O-N 3.37Å; R41-T43 PolarHBondContact O-N 3.46Å; R41-S44 CarbonylContact O-C 3.55Å; R41-S44 PolarHBondContact O-N 3.49Å; R41-S44 VanDerWaalsContact O-N 3.14Å
42	K	83.6	Confident	88.2	Confident	109 Å²	109	72.6 Å²	72.6	47%	0.474	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-37.9	179.6	-177.5	-171.8	173.6	-175.1	0	112.7	L24 V26 S38 W39	L24-K42 HydrophobicContact CD1-CB 4.08Å; L24-K42 HydrophobicContact CD1-CD 3.9Å; L24-K42 HydrophobicContact CD1-CG 4.03Å; V26-K42 HydrophobicContact CG1-CG 3.94Å; S38-K42 PolarHBondContact O-N 3.25Å; W39-K42 WeakPolarHBondContact O-CB 3.49Å; W39-K42 PolarHBondContact O-N 3.5Å
43	T	85.7	Confident	88.4	Confident	89 Å²	89	73.2 Å²	73.2	55%	0.546	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	16.4	-178.6	52.9	0	0	0	0	112.4	R41 N54 G55 N63	R41-T43 PolarHBondContact O-N 3.46Å; T43-N54 CarbonylContact C-O 3.53Å; T43-G55 WeakPolarHBondContact O-CA 3.32Å; T43-N63 PolarHBondContact O-ND2 3.08Å
44	S	91.9	Very high	88.7	Confident	37 Å²	37	70.2 Å²	70.2	26%	0.259	38%	0.378	S	S	.	.	S	Bend	trans	-158.5	72.2	-175.6	50.7	0	0	0	0	110.5	R41 Y53 N54	R41-S44 CarbonylContact O-C 3.55Å; R41-S44 PolarHBondContact O-N 3.49Å; R41-S44 VanDerWaalsContact O-N 3.14Å; S44-Y53 VanDerWaalsContact CB-OH 3.26Å; S44-Y53 WeakPolarHBondContact CB-OH 3.41Å; S44-N54 PolarHBondContact N-O 2.95Å
45	F	93	Very high	88.9	Confident	18 Å²	18	66.7 Å²	66.7	8%	0.079	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	151.7	179.1	74.7	-82.7	0	0	0	112	V26 A35 C47 N54	V26-F45 HydrophobicContact CB-CE1 3.91Å; V26-F45 HydrophobicContact CB-CZ 4.13Å; V26-F45 HydrophobicContact CG2-CD1 3.77Å; V26-F45 HydrophobicContact CG2-CD2 4.17Å; V26-F45 HydrophobicContact CG2-CE1 3.42Å; V26-F45 VanDerWaalsContact CG2-CE1 3.42Å; V26-F45 HydrophobicContact CG2-CE2 3.87Å; V26-F45 HydrophobicContact CG2-CG 4.13Å; V26-F45 HydrophobicContact CG2-CZ 3.48Å; V26-F45 VanDerWaalsContact CG2-CZ 3.48Å; A35-F45 HydrophobicContact CB-CD2 4.11Å; A35-F45 HydrophobicContact CB-CE2 3.78Å; F45-C47 HydrophobicContact CE2-CB 4.49Å; F45-N54 HydrophobicContact CD1-CB 3.8Å; F45-N54 HydrophobicContact CD2-CB 4.32Å; F45-N54 HydrophobicContact CE1-CB 3.36Å; F45-N54 HydrophobicContact CE2-CB 3.93Å; F45-N54 HydrophobicContact CG-CB 4.26Å; F45-N54 HydrophobicContact CZ-CB 3.43Å; F45-N54 VanDerWaalsContact CZ-CB 3.43Å; F45-N54 PolarHBondContact N-O 3.19Å; F45-N54 VanDerWaalsContact N-O 3.13Å; F45-N54 WeakPolarHBondContact O-CA 3.5Å; F45-N54 WeakPolarHBondContact O-CB 3.24Å; F45-N54 PolarHBondContact O-N 2.92Å
46	V	93.3	Very high	89.2	Confident	73 Å²	73	69.6 Å²	69.6	44%	0.442	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.7	170.2	179.5	0	0	0	0	108.3	Q48 G51 Y53	V46-Q48 PolarHBondContact O-N 2.9Å; V46-G51 WeakPolarHBondContact CG1-O 3.33Å; V46-Y53 HydrophobicContact CG2-CD2 3.85Å
47	C	93.1	Very high	89.4	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.355	C	S	.	.			trans	-70.6	123.8	176.5	-177.2	0	0	0	0	110	C28 C31 F45 Q49 G51 Q52	C28-C47 HydrophobicContact CB-CB 3.98Å; C31-C47 VanDerWaalsContact SG-SG 3.68Å; F45-C47 HydrophobicContact CE2-CB 4.49Å; C47-Q49 PolarHBondContact O-N 3.05Å; C47-Q49 PolarHBondContact SG-N 3.03Å; C47-Q49 VanDerWaalsContact SG-N 3.45Å; C47-G51 WeakPolarHBondContact O-CA 3.19Å; C47-G51 PolarHBondContact O-N 3.01Å; C47-Q52 PolarHBondContact N-O 3.39Å
48	Q	91.2	Very high	89.6	Confident	177 Å²	177	73.1 Å²	73.1	83%	0.827	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-18.4	178.2	-61	-61.9	-29.7	0	0	113.1	V46	V46-Q48 PolarHBondContact O-N 2.9Å
49	Q	89.4	Confident	89.7	Confident	125 Å²	125	78.4 Å²	78.4	58%	0.584	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-44.3	-179.3	-171.6	168	-64	0	0	112.9	H33 C47	H33-Q49 HydrophobicContact CB-CB 4.08Å; H33-Q49 PolarHBondContact CE1-OE1 2.76Å; H33-Q49 PolarHBondContact ND1-OE1 3.34Å; C47-Q49 PolarHBondContact O-N 3.05Å; C47-Q49 PolarHBondContact SG-N 3.03Å; C47-Q49 VanDerWaalsContact SG-N 3.45Å
50	C	92.2	Very high	89.9	Confident	46 Å²	46	74.7 Å²	74.7	31%	0.311	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-1.6	-178.1	65.5	0	0	0	0	114.3	C28 C31 Q52	C28-C50 VanDerWaalsContact SG-SG 3.63Å; C31-C50 HydrophobicContact CB-CB 4.07Å; C31-C50 VanDerWaalsContact SG-SG 3.63Å; C50-Q52 HydrophobicContact CB-CG 4.28Å; C50-Q52 PolarHBondContact O-N 2.83Å; C50-Q52 VanDerWaalsContact O-N 3.11Å
51	G	90.9	Very high	90.3	Very high	51 Å²	51	75.5 Å²	75.5	53%	0.526	42%	0.415	S	S	.	.			trans	69.5	0.7	-177.4	0	0	0	0	0	114.8	V46 C47	V46-G51 WeakPolarHBondContact CG1-O 3.33Å; C47-G51 WeakPolarHBondContact O-CA 3.19Å; C47-G51 PolarHBondContact O-N 3.01Å
52	Q	91.3	Very high	90.7	Very high	88 Å²	88	70 Å²	70	41%	0.411	39%	0.394	S	S	.	.			trans	-80	139.8	-175.2	-61.3	-59.9	-46.4	0	0	111.9	F30 C47 C50 N54	F30-Q52 HydrophobicContact CB-CB 4.27Å; F30-Q52 HydrophobicContact CB-CG 4.14Å; F30-Q52 HydrophobicContact CD1-CG 4.41Å; F30-Q52 HydrophobicContact CD2-CB 3.4Å; F30-Q52 VanDerWaalsContact CD2-CB 3.4Å; F30-Q52 HydrophobicContact CD2-CG 4.03Å; F30-Q52 HydrophobicContact CE2-CB 3.86Å; F30-Q52 HydrophobicContact CG-CB 3.83Å; F30-Q52 HydrophobicContact CG-CG 3.92Å; C47-Q52 PolarHBondContact N-O 3.39Å; C50-Q52 HydrophobicContact CB-CG 4.28Å; C50-Q52 PolarHBondContact O-N 2.83Å; C50-Q52 VanDerWaalsContact O-N 3.11Å; Q52-N54 PolarHBondContact O-ND2 3.47Å
53	Y	93.9	Very high	91.2	Very high	47 Å²	47	67.8 Å²	67.8	18%	0.184	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	132.9	174.9	-179.2	-106.9	0	0	0	111	F30 S44 V46 Y62 N63 K64	F30-Y53 WeakPolarHBondContact CE2-O 3.16Å; S44-Y53 VanDerWaalsContact CB-OH 3.26Å; S44-Y53 WeakPolarHBondContact CB-OH 3.41Å; V46-Y53 HydrophobicContact CG2-CD2 3.85Å; Y53-Y62 AromaticContact CD1-CD1 3.86Å; Y53-Y62 HydrophobicContact CD1-CD1 3.86Å; Y53-Y62 HydrophobicContact CD1-CE1 4.27Å; Y53-Y62 HydrophobicContact CE1-CD1 4.35Å; Y53-N63 VanDerWaalsContact CE1-OD1 3.28Å; Y53-N63 WeakPolarHBondContact CE1-OD1 3.4Å; Y53-N63 PolarHBondContact OH-OD1 3.36Å; Y53-K64 HydrophobicContact CE1-CB 4.3Å
54	N	93.1	Very high	91.5	Very high	6 Å²	6	70 Å²	70	3%	0.032	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	87.4	-178.1	-71.4	-106.1	0	0	0	108.3	C28 W29 T43 S44 F45 Q52	C28-N54 VanDerWaalsContact CA-OD1 3.3Å; C28-N54 WeakPolarHBondContact CA-OD1 3.44Å; C28-N54 PolarHBondContact SG-ND2 3.02Å; C28-N54 VanDerWaalsContact SG-ND2 3.35Å; C28-N54 PolarHBondContact SG-OD1 3.29Å; C28-N54 VanDerWaalsContact SG-OD1 3.41Å; W29-N54 PolarHBondContact N-OD1 3.33Å; T43-N54 CarbonylContact C-O 3.53Å; S44-N54 PolarHBondContact N-O 2.95Å; F45-N54 HydrophobicContact CD1-CB 3.8Å; F45-N54 HydrophobicContact CD2-CB 4.32Å; F45-N54 HydrophobicContact CE1-CB 3.36Å; F45-N54 HydrophobicContact CE2-CB 3.93Å; F45-N54 HydrophobicContact CG-CB 4.26Å; F45-N54 HydrophobicContact CZ-CB 3.43Å; F45-N54 VanDerWaalsContact CZ-CB 3.43Å; F45-N54 PolarHBondContact N-O 3.19Å; F45-N54 VanDerWaalsContact N-O 3.13Å; F45-N54 WeakPolarHBondContact O-CA 3.5Å; F45-N54 WeakPolarHBondContact O-CB 3.24Å; F45-N54 PolarHBondContact O-N 2.92Å; Q52-N54 PolarHBondContact O-ND2 3.47Å
55	G	94.1	Very high	91.5	Very high	1 Å²	1	73.1 Å²	73.1	1%	0.01	41%	0.407	C	S	.	.			trans	-161.6	120.6	173.9	0	0	0	0	0	111.6	T43 Y62 N63	T43-G55 WeakPolarHBondContact O-CA 3.32Å; G55-Y62 WeakPolarHBondContact O-CA 3.26Å; G55-Y62 WeakPolarHBondContact O-CD1 3.35Å; G55-N63 VanDerWaalsContact C-CG 3.48Å; G55-N63 VanDerWaalsContact C-OD1 3.32Å; G55-N63 PolarHBondContact O-N 3.48Å; G55-N63 VanDerWaalsContact O-N 3.08Å; G55-N63 PolarHBondContact O-OD1 3.01Å
56	F	93.4	Very high	91.4	Very high	74 Å²	74	74.1 Å²	74.1	33%	0.325	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-128.7	149.5	-170.3	-52	-81.6	0	0	0	110.9	W29 F30 D61 Y62	W29-F56 HydrophobicContact CB-CE2 4.27Å; W29-F56 HydrophobicContact CB-CZ 4.28Å; W29-F56 HydrophobicContact CG-CE2 4.49Å; W29-F56 HydrophobicContact CG-CZ 4.27Å; F30-F56 HydrophobicContact CE2-CZ 4.34Å; F30-F56 HydrophobicContact CZ-CZ 4.45Å; F56-D61 CarbonylContact C-O 3.37Å; F56-D61 WeakPolarHBondContact CA-O 3.5Å; F56-Y62 HydrophobicContact CD1-CD1 4.26Å; F56-Y62 HydrophobicContact CD1-CE1 4.43Å; F56-Y62 HydrophobicContact CE1-CD1 4.04Å; F56-Y62 AromaticContact CE1-CE1 3.76Å; F56-Y62 HydrophobicContact CE1-CE1 3.76Å; F56-Y62 HydrophobicContact CZ-CE1 4.34Å
57	T	89.9	Confident	91.2	Very high	57 Å²	57	74.2 Å²	74.2	35%	0.35	42%	0.415	S	S	.	.			trans	-74.5	172.6	167	64.6	0	0	0	0	109.8	D59 G60 D61 N63	T57-D59 PolarHBondContact O-N 2.94Å; T57-D59 PolarHBondContact OG1-N 2.84Å; T57-G60 PolarHBondContact O-N 3.14Å; T57-D61 PolarHBondContact N-O 3.35Å; T57-D61 PolarHBondContact OG1-N 3.22Å; T57-D61 PolarHBondContact OG1-O 3.35Å; T57-N63 HydrophobicContact CG2-CB 4.14Å
58	S	87.7	Confident	90.9	Very high	117 Å²	117	76.1 Å²	76.1	82%	0.818	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.6	174.1	48.3	0	0	0	0	113.1	G60	S58-G60 VanDerWaalsContact C-N 3.34Å
59	D	85.9	Confident	90.7	Very high	147 Å²	147	73.1 Å²	73.1	79%	0.786	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-3.7	-172	-48.6	-25.1	0	0	0	111.5	T57	T57-D59 PolarHBondContact O-N 2.94Å; T57-D59 PolarHBondContact OG1-N 2.84Å
60	G	87.8	Confident	90.5	Very high	53 Å²	53	74.7 Å²	74.7	55%	0.546	42%	0.419	S	S	.	.	S	Bend	trans	99	-5.1	175	0	0	0	0	0	115.2	T57 S58	T57-G60 PolarHBondContact O-N 3.14Å; S58-G60 VanDerWaalsContact C-N 3.34Å
61	D	89.9	Confident	90.3	Very high	112 Å²	112	75.2 Å²	75.2	60%	0.599	42%	0.423	S	S	*	.	S	Bend	trans	-78.5	166.4	175.8	-161.9	7.6	0	0	0	111.7	F56 T57	F56-D61 CarbonylContact C-O 3.37Å; F56-D61 WeakPolarHBondContact CA-O 3.5Å; T57-D61 PolarHBondContact N-O 3.35Å; T57-D61 PolarHBondContact OG1-N 3.22Å; T57-D61 PolarHBondContact OG1-O 3.35Å
62	Y	93.8	Very high	90	Very high	44 Å²	44	76.8 Å²	76.8	17%	0.173	43%	0.431	C	S	.	.	B	Isolated β-bridge	trans	-67.2	134.8	174.6	-71.2	-72.4	0	0	0	111.5	F30 Y53 G55 F56 K64 I66	F30-Y62 WeakPolarHBondContact CZ-OH 3.47Å; Y53-Y62 AromaticContact CD1-CD1 3.86Å; Y53-Y62 HydrophobicContact CD1-CD1 3.86Å; Y53-Y62 HydrophobicContact CD1-CE1 4.27Å; Y53-Y62 HydrophobicContact CE1-CD1 4.35Å; G55-Y62 WeakPolarHBondContact O-CA 3.26Å; G55-Y62 WeakPolarHBondContact O-CD1 3.35Å; F56-Y62 HydrophobicContact CD1-CD1 4.26Å; F56-Y62 HydrophobicContact CD1-CE1 4.43Å; F56-Y62 HydrophobicContact CE1-CD1 4.04Å; F56-Y62 AromaticContact CE1-CE1 3.76Å; F56-Y62 HydrophobicContact CE1-CE1 3.76Å; F56-Y62 HydrophobicContact CZ-CE1 4.34Å; Y62-K64 VanDerWaalsContact CB-O 3.29Å; Y62-K64 WeakPolarHBondContact CB-O 3.32Å; Y62-K64 PolarHBondContact O-N 3.33Å; Y62-I66 HydrophobicContact CD1-CD1 3.8Å; Y62-I66 HydrophobicContact CD2-CD1 3.64Å; Y62-I66 HydrophobicContact CD2-CG1 4.37Å; Y62-I66 HydrophobicContact CE1-CD1 3.78Å; Y62-I66 HydrophobicContact CE2-CD1 3.62Å; Y62-I66 HydrophobicContact CG-CD1 3.71Å; Y62-I66 HydrophobicContact CG-CG1 4.34Å
63	N	93.2	Very high	89.7	Confident	61 Å²	61	81.5 Å²	81.5	33%	0.326	45%	0.453	S	S	.	.	S	Bend	trans	-77.4	14.3	174.1	66.6	1.7	0	0	0	113.8	T43 Y53 G55 T57	T43-N63 PolarHBondContact O-ND2 3.08Å; Y53-N63 VanDerWaalsContact CE1-OD1 3.28Å; Y53-N63 WeakPolarHBondContact CE1-OD1 3.4Å; Y53-N63 PolarHBondContact OH-OD1 3.36Å; G55-N63 VanDerWaalsContact C-CG 3.48Å; G55-N63 VanDerWaalsContact C-OD1 3.32Å; G55-N63 PolarHBondContact O-N 3.48Å; G55-N63 VanDerWaalsContact O-N 3.08Å; G55-N63 PolarHBondContact O-OD1 3.01Å; T57-N63 HydrophobicContact CG2-CB 4.14Å
64	K	92.9	Very high	89.3	Confident	137 Å²	137	84.1 Å²	84.1	60%	0.596	47%	0.47	S	S	*	.	S	Bend	trans	-152.4	141	174.2	179.6	-176.5	172.2	-177.2	0	108.2	Y53 Y62 I66	Y53-K64 HydrophobicContact CE1-CB 4.3Å; Y62-K64 VanDerWaalsContact CB-O 3.29Å; Y62-K64 WeakPolarHBondContact CB-O 3.32Å; Y62-K64 PolarHBondContact O-N 3.33Å; K64-I66 PolarHBondContact O-N 2.88Å
65	V	91.4	Very high	88.7	Confident	102 Å²	102	86.9 Å²	86.9	62%	0.618	49%	0.485	S	S	*	.			trans	-63.6	126.6	170.4	-177.7	0	0	0	0	110	P67 F70	V65-P67 WeakPolarHBondContact O-CD 3.38Å; V65-F70 HydrophobicContact CG1-CD2 4.22Å; V65-F70 HydrophobicContact CG1-CE2 3.78Å
66	I	90.1	Very high	87.9	Confident	38 Å²	38	91 Å²	91	20%	0.195	51%	0.511	C	S	.	.			trans	-102.5	102.4	172.7	-54.7	-180	0	0	0	108	Y62 K64 S68 Q69 F70	Y62-I66 HydrophobicContact CD1-CD1 3.8Å; Y62-I66 HydrophobicContact CD2-CD1 3.64Å; Y62-I66 HydrophobicContact CD2-CG1 4.37Å; Y62-I66 HydrophobicContact CE1-CD1 3.78Å; Y62-I66 HydrophobicContact CE2-CD1 3.62Å; Y62-I66 HydrophobicContact CG-CD1 3.71Å; Y62-I66 HydrophobicContact CG-CG1 4.34Å; K64-I66 PolarHBondContact O-N 2.88Å; I66-S68 WeakPolarHBondContact CG2-OG 3.37Å; I66-S68 PolarHBondContact O-N 3.35Å; I66-S68 VanDerWaalsContact O-N 3.13Å; I66-Q69 HydrophobicContact CB-CG 4.05Å; I66-Q69 HydrophobicContact CG2-CG 4.1Å; I66-Q69 WeakPolarHBondContact O-CB 3.48Å; I66-Q69 PolarHBondContact O-N 3.17Å; I66-F70 WeakPolarHBondContact O-CD2 3.4Å
67	P	90.6	Very high	86.8	Confident	76 Å²	76	93.9 Å²	93.9	49%	0.494	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-57.1	-33.8	-173.2	-28.8	37.5	0	0	0	114.4	V65 Q69 F70 S71 L74	V65-P67 WeakPolarHBondContact O-CD 3.38Å; P67-Q69 PolarHBondContact O-N 2.85Å; P67-F70 PolarHBondContact O-N 3.19Å; P67-S71 PolarHBondContact O-N 3.02Å; P67-L74 HydrophobicContact CB-CD1 3.51Å
68	S	85.4	Confident	85.5	Confident	39 Å²	39	98.3 Å²	98.3	27%	0.273	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-66.8	-14.9	179.4	63.3	0	0	0	0	114.5	I66 F70 N75	I66-S68 WeakPolarHBondContact CG2-OG 3.37Å; I66-S68 PolarHBondContact O-N 3.35Å; I66-S68 VanDerWaalsContact O-N 3.13Å; S68-F70 VanDerWaalsContact C-N 3.33Å; S68-N75 PolarHBondContact O-ND2 2.93Å; S68-N75 PolarHBondContact O-OD1 2.9Å
69	Q	87	Confident	84.2	Confident	115 Å²	115	100.2 Å²	100.2	54%	0.537	55%	0.55	S	S	.	.	G	3₁₀ helix	trans	-75.9	-22	170.5	-66.7	-174.3	-72.9	0	0	112.8	I66 P67	I66-Q69 HydrophobicContact CB-CG 4.05Å; I66-Q69 HydrophobicContact CG2-CG 4.1Å; I66-Q69 WeakPolarHBondContact O-CB 3.48Å; I66-Q69 PolarHBondContact O-N 3.17Å; P67-Q69 PolarHBondContact O-N 2.85Å
70	F	87.1	Confident	83	Confident	158 Å²	158	98.5 Å²	98.5	69%	0.693	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-29.8	-176.9	-59.1	-83.6	0	0	0	112.5	V65 I66 P67 S68	V65-F70 HydrophobicContact CG1-CD2 4.22Å; V65-F70 HydrophobicContact CG1-CE2 3.78Å; I66-F70 WeakPolarHBondContact O-CD2 3.4Å; P67-F70 PolarHBondContact O-N 3.19Å; S68-F70 VanDerWaalsContact C-N 3.33Å
71	S	87.2	Confident	81.4	Confident	57 Å²	57	104.9 Å²	104.9	40%	0.399	56%	0.562	S	S	.	*			trans	-117.7	107.6	-179	-56	0	0	0	0	110.4	P67 E73 L74	P67-S71 PolarHBondContact O-N 3.02Å; S71-E73 PolarHBondContact O-N 3.17Å; S71-E73 VanDerWaalsContact O-N 3.14Å; S71-L74 WeakPolarHBondContact O-CB 2.89Å; S71-L74 PolarHBondContact O-N 3.19Å
72	A	83.6	Confident	79.9	Confident	83 Å²	83	103.9 Å²	103.9	69%	0.686	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-58.2	-28.2	-179.6	0	0	0	0	0	113.2	L74 N75	A72-L74 PolarHBondContact O-N 2.71Å; A72-N75 WeakPolarHBondContact O-CB 3.4Å; A72-N75 PolarHBondContact O-N 3.18Å; A72-N75 VanDerWaalsContact O-N 3.09Å
73	E	85.7	Confident	78	Confident	187 Å²	187	114.1 Å²	114.1	87%	0.874	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-62.7	-25.9	177	-61.3	175.8	-172.5	0	0	113.6	S71 N75	S71-E73 PolarHBondContact O-N 3.17Å; S71-E73 VanDerWaalsContact O-N 3.14Å; E73-N75 VanDerWaalsContact C-N 3.31Å
74	L	85.6	Confident	76.4	Confident	103 Å²	103	113.4 Å²	113.4	54%	0.539	62%	0.615	S	S	.	*	G	3₁₀ helix	trans	-83.1	-11.1	177.6	-61.1	177.5	0	0	0	112.5	P67 S71 A72	P67-L74 HydrophobicContact CB-CD1 3.51Å; S71-L74 WeakPolarHBondContact O-CB 2.89Å; S71-L74 PolarHBondContact O-N 3.19Å; A72-L74 PolarHBondContact O-N 2.71Å
75	N	81.3	Confident	74.6	Confident	64 Å²	64	113.7 Å²	113.7	34%	0.342	63%	0.628	S	S	.	*	S	Bend	trans	-73.9	140.8	172.5	-68	-44.2	0	0	0	109.2	S68 A72 E73 V77	S68-N75 PolarHBondContact O-ND2 2.93Å; S68-N75 PolarHBondContact O-OD1 2.9Å; A72-N75 WeakPolarHBondContact O-CB 3.4Å; A72-N75 PolarHBondContact O-N 3.18Å; A72-N75 VanDerWaalsContact O-N 3.09Å; E73-N75 VanDerWaalsContact C-N 3.31Å; N75-V77 PolarHBondContact O-N 3.4Å; N75-V77 VanDerWaalsContact O-N 3.14Å
76	P	76.3	Confident	73	Confident	87 Å²	87	116.6 Å²	116.6	57%	0.565	63%	0.633	S	S	*	*			trans	-56.9	125.5	176.4	22.4	-31.4	0	0	0	109.9	N78 F79	P76-N78 PolarHBondContact O-N 3.21Å; P76-F79 WeakPolarHBondContact O-CD2 3.18Å
77	V	70.3	Confident	71.3	Confident	135 Å²	135	118 Å²	118	82%	0.818	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	2	177.5	-89.7	0	0	0	0	114.1	N75 F79	N75-V77 PolarHBondContact O-N 3.4Å; N75-V77 VanDerWaalsContact O-N 3.14Å; V77-F79 PolarHBondContact O-N 3.49Å; V77-F79 VanDerWaalsContact O-N 3.14Å
78	N	63.9	Low	69.8	Low	150 Å²	150	117.7 Å²	117.7	80%	0.802	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	12	-178.5	-67.5	-9	0	0	0	114.1	P76 S80	P76-N78 PolarHBondContact O-N 3.21Å; N78-S80 PolarHBondContact O-N 2.91Å
79	F	59.8	Low	68.4	Low	156 Å²	156	123.3 Å²	123.3	68%	0.684	67%	0.667	S	S	*	*	S	Bend	trans	-61.2	115.4	156.6	-63.4	-77.5	0	0	0	106	P76 V77 K81	P76-F79 WeakPolarHBondContact O-CD2 3.18Å; V77-F79 PolarHBondContact O-N 3.49Å; V77-F79 VanDerWaalsContact O-N 3.14Å; F79-K81 VanDerWaalsContact C-N 3.27Å; F79-K81 PolarHBondContact O-N 3.29Å
80	S	60.3	Low	67.4	Low	112 Å²	112	120.2 Å²	120.2	78%	0.783	66%	0.658	S	S	*	*			trans	-47.4	104.3	161.3	45.2	0	0	0	0	105.8	N78 A82	N78-S80 PolarHBondContact O-N 2.91Å; S80-A82 PolarHBondContact O-N 3.37Å
81	K	55.3	Low	66.9	Low	187 Å²	187	119.7 Å²	119.7	81%	0.813	66%	0.663	S	S	*	*			trans	-47.8	113.9	169.3	-82	-176.7	177.7	-180	0	103.5	F79 R83	F79-K81 VanDerWaalsContact C-N 3.27Å; F79-K81 PolarHBondContact O-N 3.29Å; K81-R83 VanDerWaalsContact C-N 3.27Å; K81-R83 PolarHBondContact O-N 3.47Å
82	A	57.3	Low	67	Low	90 Å²	90	118.7 Å²	118.7	74%	0.744	65%	0.654	S	S	*	*			trans	-53.4	107.2	171.5	0	0	0	0	0	103.9	S80 G84	S80-A82 PolarHBondContact O-N 3.37Å; A82-G84 PolarHBondContact O-N 3.46Å
83	R	54.5	Low	67.4	Low	259 Å²	259	116.6 Å²	116.6	98%	0.977	63%	0.631	S	S	*	*	S	Bend	trans	-72.3	22.8	-171.7	-94.6	-171.5	-176.7	-178.5	1.7	111.8	K81	K81-R83 VanDerWaalsContact C-N 3.27Å; K81-R83 PolarHBondContact O-N 3.47Å
84	G	58.1	Low	67.8	Low	47 Å²	47	109.5 Å²	109.5	49%	0.485	60%	0.602	S	S	.	*	S	Bend	trans	-140.9	137.8	174.8	0	0	0	0	0	109	A82 F86	A82-G84 PolarHBondContact O-N 3.46Å; G84-F86 PolarHBondContact O-N 3.03Å; G84-F86 VanDerWaalsContact O-N 3.15Å
85	T	56.8	Low	68.2	Low	142 Å²	142	109.8 Å²	109.8	87%	0.871	61%	0.61	S	S	*	*			trans	-48.6	120.5	153.8	-25.5	0	0	0	0	106.3	S87	T85-S87 VanDerWaalsContact C-N 3.28Å; T85-S87 PolarHBondContact O-N 3.15Å
86	F	56.6	Low	68.9	Low	163 Å²	163	111.2 Å²	111.2	72%	0.715	62%	0.618	S	S	*	*			trans	-61.4	97.5	173.2	175.1	-96.8	0	0	0	107.4	G84	G84-F86 PolarHBondContact O-N 3.03Å; G84-F86 VanDerWaalsContact O-N 3.15Å
87	S	54.7	Low	69.8	Low	68 Å²	68	107.2 Å²	107.2	48%	0.476	59%	0.592	S	S	.	*			trans	-91.5	105.4	171.6	-176	0	0	0	0	106.8	T85 H89	T85-S87 VanDerWaalsContact C-N 3.28Å; T85-S87 PolarHBondContact O-N 3.15Å; S87-H89 WeakPolarHBondContact CB-NE2 3.4Å; S87-H89 PolarHBondContact O-N 2.99Å; S87-H89 PolarHBondContact OG-CD2 2.88Å; S87-H89 VanDerWaalsContact OG-CD2 3.22Å; S87-H89 PolarHBondContact OG-CE1 3.15Å; S87-H89 PolarHBondContact OG-NE2 3.29Å
88	S	58.7	Low	70.9	Confident	69 Å²	69	103 Å²	103	48%	0.483	57%	0.567	S	S	.	*			trans	-67.4	82.1	166.9	158.5	0	0	0	0	108	S90	S88-S90 PolarHBondContact O-N 2.93Å; S88-S90 PolarHBondContact OG-OG 2.8Å
89	H	56.9	Low	72.3	Confident	157 Å²	157	103.4 Å²	103.4	73%	0.727	56%	0.557	S	S	*	*			trans	-74.6	51.6	163.4	-65.6	-71.5	0	0	0	109.8	S87 D91	S87-H89 WeakPolarHBondContact CB-NE2 3.4Å; S87-H89 PolarHBondContact O-N 2.99Å; S87-H89 PolarHBondContact OG-CD2 2.88Å; S87-H89 VanDerWaalsContact OG-CD2 3.22Å; S87-H89 PolarHBondContact OG-CE1 3.15Å; S87-H89 PolarHBondContact OG-NE2 3.29Å; H89-D91 PolarHBondContact O-N 2.82Å
90	S	66.2	Low	74	Confident	50 Å²	50	97.9 Å²	97.9	35%	0.35	54%	0.535	S	S	.	.			trans	-84.4	102.7	175.3	61.2	0	0	0	0	109.1	S88 V92	S88-S90 PolarHBondContact O-N 2.93Å; S88-S90 PolarHBondContact OG-OG 2.8Å; S90-V92 PolarHBondContact O-N 3.46Å
91	D	77	Confident	75.6	Confident	147 Å²	147	95.7 Å²	95.7	79%	0.786	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	7.3	174.6	-58.3	-28.2	0	0	0	113.6	H89	H89-D91 PolarHBondContact O-N 2.82Å
92	V	88.4	Confident	77.4	Confident	37 Å²	37	91.7 Å²	91.7	22%	0.224	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-41.7	-175.6	-176.1	0	0	0	0	110.4	S90 K142 V143	S90-V92 PolarHBondContact O-N 3.46Å; V92-K142 HydrophobicContact CG1-CB 4.04Å; V92-K142 WeakPolarHBondContact O-CD 3.33Å; V92-V143 HydrophobicContact CG1-CB 4.35Å; V92-V143 HydrophobicContact CG1-CG2 3.53Å
93	L	92.8	Very high	79.3	Confident	38 Å²	38	89.1 Å²	89.1	20%	0.199	47%	0.474	C	S	.	.	S	Bend	trans	-104.1	143.6	-175.6	-59.3	-175.5	0	0	0	111.1	C97 T98 Q101 L135 C139 V143	L93-C97 HydrophobicContact CB-CB 4.17Å; L93-C97 HydrophobicContact CD2-CB 4.35Å; L93-T98 WeakPolarHBondContact CB-OG1 3.29Å; L93-Q101 HydrophobicContact CD1-CG 3.82Å; L93-L135 HydrophobicContact CD2-CD1 4.33Å; L93-L135 HydrophobicContact CD2-CD2 3.79Å; L93-C139 HydrophobicContact CD2-CB 3.91Å; L93-V143 HydrophobicContact CD2-CG2 3.72Å
94	C	94.1	Very high	81.3	Confident	39 Å²	39	77.2 Å²	77.2	26%	0.264	43%	0.43	S	S	.	.			trans	-71.1	164.6	166.2	71.5	0	0	0	0	110.4	D96 C97 T98 C139	C94-D96 VanDerWaalsContact C-N 3.28Å; C94-D96 PolarHBondContact O-N 3.17Å; C94-C97 PolarHBondContact O-N 3.44Å; C94-C97 PolarHBondContact SG-N 2.88Å; C94-C97 VanDerWaalsContact SG-N 3.39Å; C94-T98 WeakPolarHBondContact O-CB 3.38Å; C94-T98 PolarHBondContact O-N 3.49Å; C94-T98 PolarHBondContact O-OG1 3.07Å; C94-C139 PolarHBondContact N-SG 3.08Å; C94-C139 VanDerWaalsContact SG-SG 3.68Å
95	P	93.1	Very high	83	Confident	108 Å²	108	79.7 Å²	79.7	70%	0.701	44%	0.435	S	S	*	.	H	α-helix	trans	-54.5	-41.4	178.8	-28.2	36.6	0	0	0	113.6	T98 R99	P95-T98 WeakPolarHBondContact O-CB 3.37Å; P95-T98 PolarHBondContact O-N 3.25Å; P95-R99 PolarHBondContact O-N 3.28Å
96	D	95.3	Very high	84.7	Confident	94 Å²	94	78 Å²	78	50%	0.503	42%	0.418	S	S	.	.	H	α-helix	trans	-65.5	-46.6	179	-59.2	-49.9	0	0	0	112.3	C94 T98 R99 N100	C94-D96 VanDerWaalsContact C-N 3.28Å; C94-D96 PolarHBondContact O-N 3.17Å; D96-T98 VanDerWaalsContact C-N 3.28Å; D96-T98 PolarHBondContact O-N 3.45Å; D96-R99 PolarHBondContact O-N 3.46Å; D96-R99 IonicContact OD1-NH2 2.67Å; D96-N100 VanDerWaalsContact O-CG 3.32Å; D96-N100 PolarHBondContact O-N 3.33Å; D96-N100 PolarHBondContact O-OD1 2.98Å
97	C	95.5	Very high	86.6	Confident	4 Å²	4	73.1 Å²	73.1	3%	0.027	40%	0.396	C	S	.	.	H	α-helix	trans	-63.6	-36.4	176.2	-73.9	0	0	0	0	111.4	L93 C94 N100 Q101 L135 C136 C139	L93-C97 HydrophobicContact CB-CB 4.17Å; L93-C97 HydrophobicContact CD2-CB 4.35Å; C94-C97 PolarHBondContact O-N 3.44Å; C94-C97 PolarHBondContact SG-N 2.88Å; C94-C97 VanDerWaalsContact SG-N 3.39Å; C97-N100 PolarHBondContact O-N 3.3Å; C97-Q101 VanDerWaalsContact O-CG 3.31Å; C97-Q101 WeakPolarHBondContact O-CG 3.37Å; C97-Q101 PolarHBondContact O-N 3.17Å; C97-L135 HydrophobicContact CB-CD2 3.88Å; C97-C136 PolarHBondContact SG-N 2.74Å; C97-C139 HydrophobicContact CB-CB 4.33Å; C97-C139 VanDerWaalsContact SG-SG 3.65Å
98	T	93.2	Very high	88.6	Confident	47 Å²	47	72.5 Å²	72.5	29%	0.288	39%	0.387	S	S	.	.	H	α-helix	trans	-62.6	-45.6	175.7	-56	0	0	0	0	110.8	L93 C94 P95 D96 Q101 N102	L93-T98 WeakPolarHBondContact CB-OG1 3.29Å; C94-T98 WeakPolarHBondContact O-CB 3.38Å; C94-T98 PolarHBondContact O-N 3.49Å; C94-T98 PolarHBondContact O-OG1 3.07Å; P95-T98 WeakPolarHBondContact O-CB 3.37Å; P95-T98 PolarHBondContact O-N 3.25Å; D96-T98 VanDerWaalsContact C-N 3.28Å; D96-T98 PolarHBondContact O-N 3.45Å; T98-Q101 PolarHBondContact O-N 2.94Å; T98-N102 PolarHBondContact O-N 3.34Å; T98-N102 PolarHBondContact O-ND2 3.43Å
99	R	94.7	Very high	90.2	Very high	158 Å²	158	73.7 Å²	73.7	60%	0.596	40%	0.396	S	S	*	.	H	α-helix	trans	-59.9	-45.8	173.8	-176.9	176.2	62.9	-176.8	-5	111.5	P95 D96 Q101 N102 T103	P95-R99 PolarHBondContact O-N 3.28Å; D96-R99 PolarHBondContact O-N 3.46Å; D96-R99 IonicContact OD1-NH2 2.67Å; R99-Q101 PolarHBondContact O-N 3.48Å; R99-N102 WeakPolarHBondContact O-CB 3.48Å; R99-N102 PolarHBondContact O-N 2.86Å; R99-T103 PolarHBondContact O-N 3.05Å; R99-T103 PolarHBondContact O-OG1 3.27Å
100	N	95.7	Very high	91.9	Very high	40 Å²	40	72.1 Å²	72.1	21%	0.214	39%	0.389	C	S	.	.	H	α-helix	trans	-58.5	-45.5	177.6	-73.2	4.7	0	0	0	112	D96 C97 N102 T103 I104	D96-N100 VanDerWaalsContact O-CG 3.32Å; D96-N100 PolarHBondContact O-N 3.33Å; D96-N100 PolarHBondContact O-OD1 2.98Å; C97-N100 PolarHBondContact O-N 3.3Å; N100-N102 VanDerWaalsContact C-N 3.33Å; N100-N102 PolarHBondContact O-N 2.91Å; N100-T103 WeakPolarHBondContact O-CB 3.32Å; N100-T103 PolarHBondContact O-N 3.29Å; N100-T103 VanDerWaalsContact O-N 3.17Å; N100-I104 WeakPolarHBondContact O-CG1 3.34Å; N100-I104 PolarHBondContact O-N 3.5Å
101	Q	94.1	Very high	93.2	Very high	65 Å²	65	72.9 Å²	72.9	30%	0.304	38%	0.384	S	S	.	.	H	α-helix	trans	-63.4	-38.6	177	-66.3	-56.7	-72.2	0	0	112	L93 C97 T98 R99 T103 I104 V105 L135	L93-Q101 HydrophobicContact CD1-CG 3.82Å; C97-Q101 VanDerWaalsContact O-CG 3.31Å; C97-Q101 WeakPolarHBondContact O-CG 3.37Å; C97-Q101 PolarHBondContact O-N 3.17Å; T98-Q101 PolarHBondContact O-N 2.94Å; R99-Q101 PolarHBondContact O-N 3.48Å; Q101-T103 VanDerWaalsContact C-N 3.32Å; Q101-T103 PolarHBondContact O-N 3.21Å; Q101-I104 PolarHBondContact O-N 3.33Å; Q101-V105 WeakPolarHBondContact O-CG2 3.48Å; Q101-V105 PolarHBondContact O-N 2.88Å; Q101-L135 HydrophobicContact CG-CD2 4.09Å
102	N	93.1	Very high	93.9	Very high	104 Å²	104	71.3 Å²	71.3	56%	0.556	38%	0.38	S	S	*	.	H	α-helix	trans	-62.4	-40.1	173.6	-68.7	-19.1	0	0	0	111.7	T98 R99 N100 V105 Q106	T98-N102 PolarHBondContact O-N 3.34Å; T98-N102 PolarHBondContact O-ND2 3.43Å; R99-N102 WeakPolarHBondContact O-CB 3.48Å; R99-N102 PolarHBondContact O-N 2.86Å; N100-N102 VanDerWaalsContact C-N 3.33Å; N100-N102 PolarHBondContact O-N 2.91Å; N102-V105 PolarHBondContact O-N 3.49Å; N102-Q106 WeakPolarHBondContact O-CB 3.41Å; N102-Q106 PolarHBondContact O-N 3.32Å
103	T	96.3	Very high	93.9	Very high	35 Å²	35	71.5 Å²	71.5	22%	0.215	38%	0.382	C	S	.	.	H	α-helix	trans	-62.3	-42	174.4	-57.8	0	0	0	0	112	R99 N100 Q101 Q106 K107 Y133	R99-T103 PolarHBondContact O-N 3.05Å; R99-T103 PolarHBondContact O-OG1 3.27Å; N100-T103 WeakPolarHBondContact O-CB 3.32Å; N100-T103 PolarHBondContact O-N 3.29Å; N100-T103 VanDerWaalsContact O-N 3.17Å; Q101-T103 VanDerWaalsContact C-N 3.32Å; Q101-T103 PolarHBondContact O-N 3.21Å; T103-Q106 PolarHBondContact O-N 3.1Å; T103-K107 HydrophobicContact CG2-CD 4.18Å; T103-K107 HydrophobicContact CG2-CG 4.34Å; T103-K107 WeakPolarHBondContact O-CB 3.39Å; T103-K107 WeakPolarHBondContact O-CG 3.29Å; T103-K107 PolarHBondContact O-N 2.93Å; T103-Y133 HydrophobicContact CG2-CD1 4.05Å; T103-Y133 HydrophobicContact CG2-CD2 4.47Å; T103-Y133 HydrophobicContact CG2-CE1 3.82Å; T103-Y133 HydrophobicContact CG2-CE2 4.29Å; T103-Y133 HydrophobicContact CG2-CG 4.38Å
104	I	96.2	Very high	93.7	Very high	10 Å²	10	78.8 Å²	78.8	5%	0.051	41%	0.412	C	S	.	.	H	α-helix	trans	-59.6	-50.4	175.4	-64.8	175.7	0	0	0	110.2	N100 Q101 Q106 K107 L108 L129 E130 Y133	N100-I104 WeakPolarHBondContact O-CG1 3.34Å; N100-I104 PolarHBondContact O-N 3.5Å; Q101-I104 PolarHBondContact O-N 3.33Å; I104-Q106 VanDerWaalsContact C-N 3.33Å; I104-Q106 PolarHBondContact O-N 3.04Å; I104-K107 PolarHBondContact O-N 3.14Å; I104-L108 HydrophobicContact CG2-CD1 3.79Å; I104-L108 HydrophobicContact CG2-CG 4.26Å; I104-L108 WeakPolarHBondContact O-CB 3.38Å; I104-L108 VanDerWaalsContact O-CG 3.31Å; I104-L108 WeakPolarHBondContact O-CG 3.25Å; I104-L108 PolarHBondContact O-N 3.44Å; I104-L129 HydrophobicContact CG1-CB 4.27Å; I104-L129 HydrophobicContact CG2-CB 4.29Å; I104-L129 HydrophobicContact CG2-CD1 4.34Å; I104-E130 HydrophobicContact CD1-CG 4.47Å; I104-Y133 HydrophobicContact CG1-CD2 4.45Å; I104-Y133 HydrophobicContact CG1-CG 4.37Å
105	V	93.4	Very high	93.2	Very high	98 Å²	98	82 Å²	82	59%	0.594	43%	0.427	S	S	*	.	H	α-helix	trans	-59.7	-44.7	-179.6	172.4	0	0	0	0	111.2	Q101 N102 L108 S109	Q101-V105 WeakPolarHBondContact O-CG2 3.48Å; Q101-V105 PolarHBondContact O-N 2.88Å; N102-V105 PolarHBondContact O-N 3.49Å; V105-L108 PolarHBondContact O-N 3.23Å; V105-S109 WeakPolarHBondContact O-CB 3.46Å; V105-S109 PolarHBondContact O-N 2.95Å; V105-S109 PolarHBondContact O-OG 3.32Å
106	Q	93.8	Very high	92.6	Very high	107 Å²	107	85.2 Å²	85.2	50%	0.5	44%	0.438	S	S	.	.	H	α-helix	trans	-61	-52.6	177.8	-177.9	-179.6	-5.5	0	0	111.3	N102 T103 I104 L108 S109 E110	N102-Q106 WeakPolarHBondContact O-CB 3.41Å; N102-Q106 PolarHBondContact O-N 3.32Å; T103-Q106 PolarHBondContact O-N 3.1Å; I104-Q106 VanDerWaalsContact C-N 3.33Å; I104-Q106 PolarHBondContact O-N 3.04Å; Q106-L108 VanDerWaalsContact C-N 3.31Å; Q106-L108 PolarHBondContact O-N 3.21Å; Q106-S109 PolarHBondContact O-N 3.41Å; Q106-S109 PolarHBondContact O-OG 2.99Å; Q106-E110 WeakPolarHBondContact CG-OE1 3.32Å; Q106-E110 PolarHBondContact NE2-OE1 3.34Å; Q106-E110 WeakPolarHBondContact O-CG 3.37Å; Q106-E110 PolarHBondContact O-N 3.4Å; Q106-E110 VanDerWaalsContact O-N 3.1Å
107	K	96.4	Very high	91.9	Very high	60 Å²	60	88.5 Å²	88.5	26%	0.261	44%	0.443	S	S	.	.	H	α-helix	trans	-61.4	-38.4	-179.3	-74.5	-170.5	176.3	-166.8	0	112.5	T103 I104 S109 E110 Y111 L129 Y133	T103-K107 HydrophobicContact CG2-CD 4.18Å; T103-K107 HydrophobicContact CG2-CG 4.34Å; T103-K107 WeakPolarHBondContact O-CB 3.39Å; T103-K107 WeakPolarHBondContact O-CG 3.29Å; T103-K107 PolarHBondContact O-N 2.93Å; I104-K107 PolarHBondContact O-N 3.14Å; K107-S109 VanDerWaalsContact C-N 3.34Å; K107-E110 PolarHBondContact O-N 2.85Å; K107-Y111 PolarHBondContact O-N 3.42Å; K107-Y111 VanDerWaalsContact O-N 3.15Å; K107-L129 HydrophobicContact CB-CD1 3.78Å; K107-L129 HydrophobicContact CB-CD2 4.06Å; K107-L129 HydrophobicContact CD-CD2 3.45Å; K107-L129 VanDerWaalsContact CD-CD2 3.45Å; K107-L129 HydrophobicContact CG-CD2 4.4Å; K107-Y133 HydrophobicContact CD-CE2 4.18Å; K107-Y133 PolarHBondContact NZ-OH 2.7Å
108	L	95.7	Very high	91.3	Very high	55 Å²	55	90.6 Å²	90.6	29%	0.288	46%	0.458	S	S	.	.	H	α-helix	trans	-64.6	-37.6	174	-73.9	176.1	0	0	0	112.5	I104 V105 Q106 E110 Y111 Y125 T126 L129	I104-L108 HydrophobicContact CG2-CD1 3.79Å; I104-L108 HydrophobicContact CG2-CG 4.26Å; I104-L108 WeakPolarHBondContact O-CB 3.38Å; I104-L108 VanDerWaalsContact O-CG 3.31Å; I104-L108 WeakPolarHBondContact O-CG 3.25Å; I104-L108 PolarHBondContact O-N 3.44Å; V105-L108 PolarHBondContact O-N 3.23Å; Q106-L108 VanDerWaalsContact C-N 3.31Å; Q106-L108 PolarHBondContact O-N 3.21Å; L108-E110 VanDerWaalsContact C-N 3.31Å; L108-E110 PolarHBondContact O-N 3.23Å; L108-Y111 PolarHBondContact O-N 2.82Å; L108-Y125 HydrophobicContact CD2-CD1 3.83Å; L108-Y125 HydrophobicContact CD2-CE1 4.23Å; L108-T126 HydrophobicContact CD1-CG2 4.3Å; L108-T126 VanDerWaalsContact CD2-OG1 3.32Å; L108-T126 WeakPolarHBondContact CD2-OG1 3.46Å; L108-L129 HydrophobicContact CD2-CD1 3.82Å; L108-L129 HydrophobicContact CG-CD1 3.78Å
109	S	91.6	Very high	90.9	Very high	95 Å²	95	94.1 Å²	94.1	66%	0.664	48%	0.475	S	S	*	.	H	α-helix	trans	-70.5	-27.6	178.9	72.1	0	0	0	0	113.5	V105 Q106 K107	V105-S109 WeakPolarHBondContact O-CB 3.46Å; V105-S109 PolarHBondContact O-N 2.95Å; V105-S109 PolarHBondContact O-OG 3.32Å; Q106-S109 PolarHBondContact O-N 3.41Å; Q106-S109 PolarHBondContact O-OG 2.99Å; K107-S109 VanDerWaalsContact C-N 3.34Å
110	E	93.4	Very high	90.7	Very high	123 Å²	123	92.2 Å²	92.2	58%	0.575	47%	0.473	S	S	*	.	H	α-helix	trans	-87.1	-12.4	177.7	-66.6	168.3	-171.7	0	0	112.2	Q106 K107 L108 T112	Q106-E110 WeakPolarHBondContact CG-OE1 3.32Å; Q106-E110 PolarHBondContact NE2-OE1 3.34Å; Q106-E110 WeakPolarHBondContact O-CG 3.37Å; Q106-E110 PolarHBondContact O-N 3.4Å; Q106-E110 VanDerWaalsContact O-N 3.1Å; K107-E110 PolarHBondContact O-N 2.85Å; L108-E110 VanDerWaalsContact C-N 3.31Å; L108-E110 PolarHBondContact O-N 3.23Å; E110-T112 PolarHBondContact O-N 3.28Å
111	Y	93.7	Very high	90.5	Very high	67 Å²	67	91.8 Å²	91.8	26%	0.263	47%	0.47	S	S	.	.			trans	-72.6	125.9	-175.9	-169.5	-101.6	0	0	0	112.4	K107 L108 P113 E121 I122 Y125	K107-Y111 PolarHBondContact O-N 3.42Å; K107-Y111 VanDerWaalsContact O-N 3.15Å; L108-Y111 PolarHBondContact O-N 2.82Å; Y111-P113 HydrophobicContact CD1-CG 4.26Å; Y111-P113 HydrophobicContact CE1-CB 4.37Å; Y111-P113 HydrophobicContact CE1-CG 4.14Å; Y111-E121 HydrophobicContact CE1-CG 4.15Å; Y111-E121 VanDerWaalsContact OH-CG 3.24Å; Y111-E121 WeakPolarHBondContact OH-CG 3.3Å; Y111-E121 PolarHBondContact OH-OE1 3.19Å; Y111-I122 HydrophobicContact CD1-CG1 4.17Å; Y111-I122 HydrophobicContact CE1-CG1 4.35Å; Y111-Y125 HydrophobicContact CD1-CD1 4.04Å; Y111-Y125 HydrophobicContact CD1-CG 4.45Å; Y111-Y125 AromaticContact CD2-CD1 3.32Å; Y111-Y125 HydrophobicContact CD2-CD1 3.32Å; Y111-Y125 AromaticContact CD2-CD2 3.92Å; Y111-Y125 HydrophobicContact CD2-CD2 3.92Å; Y111-Y125 AromaticContact CD2-CE1 3.33Å; Y111-Y125 HydrophobicContact CD2-CE1 3.33Å; Y111-Y125 AromaticContact CD2-CE2 3.91Å; Y111-Y125 HydrophobicContact CD2-CE2 3.91Å; Y111-Y125 AromaticContact CD2-CG 3.64Å; Y111-Y125 HydrophobicContact CD2-CG 3.64Å; Y111-Y125 AromaticContact CD2-CZ 3.63Å; Y111-Y125 HydrophobicContact CE1-CD1 4.49Å; Y111-Y125 HydrophobicContact CE1-CG 4.46Å; Y111-Y125 AromaticContact CE2-CD1 3.83Å; Y111-Y125 HydrophobicContact CE2-CD1 3.83Å; Y111-Y125 AromaticContact CE2-CD2 3.71Å; Y111-Y125 HydrophobicContact CE2-CD2 3.71Å; Y111-Y125 HydrophobicContact CE2-CE1 4.13Å; Y111-Y125 HydrophobicContact CE2-CE2 4.01Å; Y111-Y125 AromaticContact CE2-CG 3.61Å; Y111-Y125 HydrophobicContact CE2-CG 3.61Å; Y111-Y125 AromaticContact CG-CD1 3.44Å; Y111-Y125 HydrophobicContact CG-CD1 3.44Å; Y111-Y125 VanDerWaalsContact CG-CD1 3.44Å; Y111-Y125 AromaticContact CG-CE1 3.63Å; Y111-Y125 HydrophobicContact CG-CE1 3.63Å; Y111-Y125 HydrophobicContact CG-CG 4.07Å
112	T	90.9	Very high	90.4	Very high	114 Å²	114	91.9 Å²	91.9	70%	0.699	47%	0.472	S	S	*	.			trans	-113.9	114	173.4	-55.5	0	0	0	0	109.8	E110	E110-T112 PolarHBondContact O-N 3.28Å
113	P	89.8	Confident	90.4	Very high	41 Å²	41	93.2 Å²	93.2	27%	0.266	47%	0.473	S	S	.	.			trans	-62.9	143.1	177.8	-20.2	31.7	0	0	0	111.9	Y111 E121 I122	Y111-P113 HydrophobicContact CD1-CG 4.26Å; Y111-P113 HydrophobicContact CE1-CB 4.37Å; Y111-P113 HydrophobicContact CE1-CG 4.14Å; P113-E121 WeakPolarHBondContact CA-OE1 3.35Å; P113-I122 HydrophobicContact CG-CD1 3.79Å; P113-I122 HydrophobicContact CG-CG1 3.75Å
114	K	86.9	Confident	90.3	Very high	190 Å²	190	95.7 Å²	95.7	83%	0.826	48%	0.482	S	S	*	.			trans	-97.1	-24.4	-179.3	-65.1	-178.2	-178.5	179	0	113.7	E121	K114-E121 PolarHBondContact N-OE1 3.47Å; K114-E121 PolarHBondContact N-OE2 2.88Å
115	N	84.2	Confident	90.2	Very high	107 Å²	107	97.9 Å²	97.9	57%	0.572	49%	0.49	S	S	*	.	S	Bend	trans	-109.5	161.1	-174.6	-55.5	-68.3	0	0	0	112.4	R117 S118 E121	N115-R117 PolarHBondContact O-N 2.98Å; N115-S118 PolarHBondContact O-N 3.37Å; N115-E121 PolarHBondContact N-OE2 2.94Å; N115-E121 VanDerWaalsContact N-OE2 3.17Å; N115-E121 PolarHBondContact ND2-OE2 3.44Å
116	D	81.3	Confident	90.3	Very high	175 Å²	175	94.9 Å²	94.9	94%	0.936	47%	0.472	S	S	*	.	S	Bend	trans	-60	-17.4	173.6	-61.4	-24.9	0	0	0	113.6	S118	D116-S118 PolarHBondContact O-N 3.48Å
117	R	80.8	Confident	90.4	Very high	163 Å²	163	93.9 Å²	93.9	62%	0.615	46%	0.463	S	S	*	.			trans	-89.8	53.6	174.2	-70.2	-170.2	-175.2	-174.9	-0.5	111.2	N115 D119 E120 E121	N115-R117 PolarHBondContact O-N 2.98Å; R117-D119 VanDerWaalsContact C-N 3.3Å; R117-D119 PolarHBondContact O-N 3.28Å; R117-E120 WeakPolarHBondContact CA-OE2 3.42Å; R117-E120 VanDerWaalsContact CB-OE2 3.27Å; R117-E120 WeakPolarHBondContact CB-OE2 3.37Å; R117-E120 PolarHBondContact O-N 3.47Å; R117-E121 WeakPolarHBondContact O-CB 3.35Å; R117-E121 PolarHBondContact O-N 2.94Å; R117-E121 VanDerWaalsContact O-N 3.12Å
118	S	81.9	Confident	90.4	Very high	48 Å²	48	95.1 Å²	95.1	34%	0.336	47%	0.472	S	S	.	.	H	α-helix	trans	-58.4	-41.2	-173.2	52	0	0	0	0	112.4	N115 D116 E121 I122	N115-S118 PolarHBondContact O-N 3.37Å; D116-S118 PolarHBondContact O-N 3.48Å; S118-E121 PolarHBondContact O-N 2.89Å; S118-I122 WeakPolarHBondContact O-CB 3.21Å; S118-I122 WeakPolarHBondContact O-CD1 3.27Å; S118-I122 WeakPolarHBondContact O-CG1 3.43Å; S118-I122 PolarHBondContact O-N 3.46Å
119	D	85.1	Confident	90.5	Very high	122 Å²	122	92.7 Å²	92.7	65%	0.652	46%	0.459	S	S	*	.	H	α-helix	trans	-65.7	-43.4	-178.2	-71.1	-17.2	0	0	0	112.5	R117 K123	R117-D119 VanDerWaalsContact C-N 3.3Å; R117-D119 PolarHBondContact O-N 3.28Å; D119-K123 VanDerWaalsContact O-CB 3.29Å; D119-K123 WeakPolarHBondContact O-CB 3.31Å; D119-K123 PolarHBondContact O-N 3.29Å
120	E	89.5	Confident	90.6	Very high	118 Å²	118	93.1 Å²	93.1	55%	0.551	45%	0.451	S	S	*	.	H	α-helix	trans	-66.9	-38.9	176.8	-67.7	80.4	-168.7	0	0	112	R117 K123 E124	R117-E120 WeakPolarHBondContact CA-OE2 3.42Å; R117-E120 VanDerWaalsContact CB-OE2 3.27Å; R117-E120 WeakPolarHBondContact CB-OE2 3.37Å; R117-E120 PolarHBondContact O-N 3.47Å; E120-K123 PolarHBondContact O-N 2.88Å; E120-E124 PolarHBondContact O-N 2.91Å
121	E	92	Very high	90.7	Very high	31 Å²	31	92.8 Å²	92.8	15%	0.145	45%	0.453	C	S	.	.	H	α-helix	trans	-65.9	-46.9	179	-166.7	179.6	140.7	0	0	111.4	Y111 P113 K114 N115 R117 S118 K123 E124 Y125	Y111-E121 HydrophobicContact CE1-CG 4.15Å; Y111-E121 VanDerWaalsContact OH-CG 3.24Å; Y111-E121 WeakPolarHBondContact OH-CG 3.3Å; Y111-E121 PolarHBondContact OH-OE1 3.19Å; P113-E121 WeakPolarHBondContact CA-OE1 3.35Å; K114-E121 PolarHBondContact N-OE1 3.47Å; K114-E121 PolarHBondContact N-OE2 2.88Å; N115-E121 PolarHBondContact N-OE2 2.94Å; N115-E121 VanDerWaalsContact N-OE2 3.17Å; N115-E121 PolarHBondContact ND2-OE2 3.44Å; R117-E121 WeakPolarHBondContact O-CB 3.35Å; R117-E121 PolarHBondContact O-N 2.94Å; R117-E121 VanDerWaalsContact O-N 3.12Å; S118-E121 PolarHBondContact O-N 2.89Å; E121-K123 VanDerWaalsContact C-N 3.27Å; E121-K123 PolarHBondContact O-N 3.42Å; E121-E124 PolarHBondContact O-N 3.4Å; E121-Y125 WeakPolarHBondContact O-CB 3.11Å; E121-Y125 PolarHBondContact O-N 2.88Å
122	I	92.9	Very high	90.8	Very high	67 Å²	67	95.5 Å²	95.5	34%	0.344	47%	0.468	S	S	.	.	H	α-helix	trans	-59.8	-40.5	174.4	-69	165.7	0	0	0	110.4	Y111 P113 S118 Y125 T126	Y111-I122 HydrophobicContact CD1-CG1 4.17Å; Y111-I122 HydrophobicContact CE1-CG1 4.35Å; P113-I122 HydrophobicContact CG-CD1 3.79Å; P113-I122 HydrophobicContact CG-CG1 3.75Å; S118-I122 WeakPolarHBondContact O-CB 3.21Å; S118-I122 WeakPolarHBondContact O-CD1 3.27Å; S118-I122 WeakPolarHBondContact O-CG1 3.43Å; S118-I122 PolarHBondContact O-N 3.46Å; I122-Y125 PolarHBondContact O-N 3.4Å; I122-T126 WeakPolarHBondContact O-CB 3.21Å; I122-T126 PolarHBondContact O-N 2.95Å; I122-T126 PolarHBondContact O-OG1 3.03Å
123	K	92.6	Very high	91.1	Very high	131 Å²	131	92.1 Å²	92.1	57%	0.57	44%	0.443	S	S	*	.	H	α-helix	trans	-64.5	-44.4	178.9	-174.2	179.9	-179.9	-177.7	0	112.1	D119 E120 E121 T126 R127	D119-K123 VanDerWaalsContact O-CB 3.29Å; D119-K123 WeakPolarHBondContact O-CB 3.31Å; D119-K123 PolarHBondContact O-N 3.29Å; E120-K123 PolarHBondContact O-N 2.88Å; E121-K123 VanDerWaalsContact C-N 3.27Å; E121-K123 PolarHBondContact O-N 3.42Å; K123-T126 PolarHBondContact O-N 2.92Å; K123-R127 PolarHBondContact O-N 3.29Å
124	E	93.3	Very high	91.3	Very high	87 Å²	87	91.6 Å²	91.6	41%	0.407	44%	0.444	S	S	.	.	H	α-helix	trans	-67.8	-40.7	176.8	-174.3	57.8	-159.2	0	0	111.2	E120 E121 T126 R127 L128	E120-E124 PolarHBondContact O-N 2.91Å; E121-E124 PolarHBondContact O-N 3.4Å; E124-T126 VanDerWaalsContact C-N 3.35Å; E124-T126 PolarHBondContact O-N 3.22Å; E124-R127 WeakPolarHBondContact O-CB 3.37Å; E124-R127 PolarHBondContact O-N 2.96Å; E124-R127 VanDerWaalsContact O-N 3.13Å; E124-R127 IonicContact OE1-CZ 3.98Å; E124-R127 IonicContact OE1-NE 3.07Å; E124-R127 PolarHBondContact OE1-NE 3.38Å; E124-R127 IonicContact OE1-NH2 2.61Å; E124-R127 PolarHBondContact OE1-NH2 3.4Å; E124-R127 IonicContact OE2-NE 3.63Å; E124-R127 PolarHBondContact OE2-NE 3.33Å; E124-R127 VanDerWaalsContact OE2-NE 3.12Å; E124-L128 WeakPolarHBondContact O-CG 3.37Å; E124-L128 PolarHBondContact O-N 3.46Å
125	Y	95.1	Very high	91.7	Very high	57 Å²	57	85 Å²	85	22%	0.224	42%	0.417	C	S	.	.	H	α-helix	trans	-61.3	-43.7	175.6	-174.7	-116.7	0	0	0	112.1	L108 Y111 E121 I122 R127 L128 L129	L108-Y125 HydrophobicContact CD2-CD1 3.83Å; L108-Y125 HydrophobicContact CD2-CE1 4.23Å; Y111-Y125 HydrophobicContact CD1-CD1 4.04Å; Y111-Y125 HydrophobicContact CD1-CG 4.45Å; Y111-Y125 AromaticContact CD2-CD1 3.32Å; Y111-Y125 HydrophobicContact CD2-CD1 3.32Å; Y111-Y125 AromaticContact CD2-CD2 3.92Å; Y111-Y125 HydrophobicContact CD2-CD2 3.92Å; Y111-Y125 AromaticContact CD2-CE1 3.33Å; Y111-Y125 HydrophobicContact CD2-CE1 3.33Å; Y111-Y125 AromaticContact CD2-CE2 3.91Å; Y111-Y125 HydrophobicContact CD2-CE2 3.91Å; Y111-Y125 AromaticContact CD2-CG 3.64Å; Y111-Y125 HydrophobicContact CD2-CG 3.64Å; Y111-Y125 AromaticContact CD2-CZ 3.63Å; Y111-Y125 HydrophobicContact CE1-CD1 4.49Å; Y111-Y125 HydrophobicContact CE1-CG 4.46Å; Y111-Y125 AromaticContact CE2-CD1 3.83Å; Y111-Y125 HydrophobicContact CE2-CD1 3.83Å; Y111-Y125 AromaticContact CE2-CD2 3.71Å; Y111-Y125 HydrophobicContact CE2-CD2 3.71Å; Y111-Y125 HydrophobicContact CE2-CE1 4.13Å; Y111-Y125 HydrophobicContact CE2-CE2 4.01Å; Y111-Y125 AromaticContact CE2-CG 3.61Å; Y111-Y125 HydrophobicContact CE2-CG 3.61Å; Y111-Y125 AromaticContact CG-CD1 3.44Å; Y111-Y125 HydrophobicContact CG-CD1 3.44Å; Y111-Y125 VanDerWaalsContact CG-CD1 3.44Å; Y111-Y125 AromaticContact CG-CE1 3.63Å; Y111-Y125 HydrophobicContact CG-CE1 3.63Å; Y111-Y125 HydrophobicContact CG-CG 4.07Å; E121-Y125 WeakPolarHBondContact O-CB 3.11Å; E121-Y125 PolarHBondContact O-N 2.88Å; I122-Y125 PolarHBondContact O-N 3.4Å; Y125-R127 VanDerWaalsContact C-N 3.29Å; Y125-R127 PolarHBondContact O-N 3.47Å; Y125-L128 PolarHBondContact O-N 3.01Å; Y125-L129 HydrophobicContact CD1-CD1 3.97Å; Y125-L129 HydrophobicContact CD1-CG 4.49Å; Y125-L129 HydrophobicContact CE1-CD1 3.52Å; Y125-L129 HydrophobicContact CE1-CG 4.14Å; Y125-L129 HydrophobicContact CE2-CD2 4.47Å; Y125-L129 HydrophobicContact CE2-CG 4.4Å; Y125-L129 WeakPolarHBondContact O-CG 3.44Å; Y125-L129 PolarHBondContact O-N 3.02Å
126	T	95.5	Very high	92.2	Very high	34 Å²	34	82.5 Å²	82.5	21%	0.209	41%	0.408	C	S	.	.	H	α-helix	trans	-56.4	-44.9	172.7	-55.9	0	0	0	0	111	L108 I122 K123 E124 L128 L129 E130	L108-T126 HydrophobicContact CD1-CG2 4.3Å; L108-T126 VanDerWaalsContact CD2-OG1 3.32Å; L108-T126 WeakPolarHBondContact CD2-OG1 3.46Å; I122-T126 WeakPolarHBondContact O-CB 3.21Å; I122-T126 PolarHBondContact O-N 2.95Å; I122-T126 PolarHBondContact O-OG1 3.03Å; K123-T126 PolarHBondContact O-N 2.92Å; E124-T126 VanDerWaalsContact C-N 3.35Å; E124-T126 PolarHBondContact O-N 3.22Å; T126-L128 PolarHBondContact O-N 3.36Å; T126-L129 PolarHBondContact O-N 2.98Å; T126-E130 HydrophobicContact CG2-CG 4.47Å; T126-E130 WeakPolarHBondContact O-CG 3.46Å; T126-E130 PolarHBondContact O-N 3.37Å
127	R	95.8	Very high	92.9	Very high	86 Å²	86	78.6 Å²	78.6	33%	0.325	40%	0.395	S	S	.	.	H	α-helix	trans	-61.5	-43.5	178.5	-166.9	-172.7	81	87.4	3.5	112.1	K123 E124 Y125 E130 L131	K123-R127 PolarHBondContact O-N 3.29Å; E124-R127 WeakPolarHBondContact O-CB 3.37Å; E124-R127 PolarHBondContact O-N 2.96Å; E124-R127 VanDerWaalsContact O-N 3.13Å; E124-R127 IonicContact OE1-CZ 3.98Å; E124-R127 IonicContact OE1-NE 3.07Å; E124-R127 PolarHBondContact OE1-NE 3.38Å; E124-R127 IonicContact OE1-NH2 2.61Å; E124-R127 PolarHBondContact OE1-NH2 3.4Å; E124-R127 IonicContact OE2-NE 3.63Å; E124-R127 PolarHBondContact OE2-NE 3.33Å; E124-R127 VanDerWaalsContact OE2-NE 3.12Å; Y125-R127 VanDerWaalsContact C-N 3.29Å; Y125-R127 PolarHBondContact O-N 3.47Å; R127-E130 PolarHBondContact O-N 3.21Å; R127-L131 WeakPolarHBondContact O-CG 3.31Å; R127-L131 PolarHBondContact O-N 3.12Å
128	L	96.3	Very high	93.6	Very high	87 Å²	87	73.3 Å²	73.3	46%	0.455	38%	0.383	S	S	.	.	H	α-helix	trans	-62.6	-43.4	177	-68.2	173.6	0	0	0	111.3	E124 Y125 T126 E130 L131 E132	E124-L128 WeakPolarHBondContact O-CG 3.37Å; E124-L128 PolarHBondContact O-N 3.46Å; Y125-L128 PolarHBondContact O-N 3.01Å; T126-L128 PolarHBondContact O-N 3.36Å; L128-E130 PolarHBondContact O-N 2.95Å; L128-L131 PolarHBondContact O-N 2.91Å; L128-E132 PolarHBondContact O-N 3.23Å
129	L	97.4	Very high	94.2	Very high	3 Å²	3	71.1 Å²	71.1	2%	0.016	37%	0.367	C	S	.	.	H	α-helix	trans	-62.9	-40.1	175.2	-69.7	179.9	0	0	0	112.6	I104 K107 L108 Y125 T126 L131 E132 Y133	I104-L129 HydrophobicContact CG1-CB 4.27Å; I104-L129 HydrophobicContact CG2-CB 4.29Å; I104-L129 HydrophobicContact CG2-CD1 4.34Å; K107-L129 HydrophobicContact CB-CD1 3.78Å; K107-L129 HydrophobicContact CB-CD2 4.06Å; K107-L129 HydrophobicContact CD-CD2 3.45Å; K107-L129 VanDerWaalsContact CD-CD2 3.45Å; K107-L129 HydrophobicContact CG-CD2 4.4Å; L108-L129 HydrophobicContact CD2-CD1 3.82Å; L108-L129 HydrophobicContact CG-CD1 3.78Å; Y125-L129 HydrophobicContact CD1-CD1 3.97Å; Y125-L129 HydrophobicContact CD1-CG 4.49Å; Y125-L129 HydrophobicContact CE1-CD1 3.52Å; Y125-L129 HydrophobicContact CE1-CG 4.14Å; Y125-L129 HydrophobicContact CE2-CD2 4.47Å; Y125-L129 HydrophobicContact CE2-CG 4.4Å; Y125-L129 WeakPolarHBondContact O-CG 3.44Å; Y125-L129 PolarHBondContact O-N 3.02Å; T126-L129 PolarHBondContact O-N 2.98Å; L129-L131 VanDerWaalsContact C-N 3.29Å; L129-L131 PolarHBondContact O-N 3.07Å; L129-E132 PolarHBondContact O-N 3Å; L129-Y133 HydrophobicContact CD2-CD2 4.1Å; L129-Y133 HydrophobicContact CD2-CE2 4.03Å; L129-Y133 WeakPolarHBondContact O-CA 3.37Å; L129-Y133 WeakPolarHBondContact O-CB 3.49Å; L129-Y133 PolarHBondContact O-N 2.97Å
130	E	95.1	Very high	94.7	Very high	104 Å²	104	71.6 Å²	71.6	49%	0.486	36%	0.361	S	S	.	.	H	α-helix	trans	-67.4	-29.1	176.4	-74.9	-177	164.4	0	0	112.9	I104 T126 R127 L128 G134	I104-E130 HydrophobicContact CD1-CG 4.47Å; T126-E130 HydrophobicContact CG2-CG 4.47Å; T126-E130 WeakPolarHBondContact O-CG 3.46Å; T126-E130 PolarHBondContact O-N 3.37Å; R127-E130 PolarHBondContact O-N 3.21Å; L128-E130 PolarHBondContact O-N 2.95Å; E130-G134 WeakPolarHBondContact O-CA 3.47Å; E130-G134 PolarHBondContact O-N 3.04Å
131	L	95.1	Very high	95	Very high	117 Å²	117	73.4 Å²	73.4	61%	0.613	36%	0.363	S	S	*	.	H	α-helix	trans	-72.6	-41.5	173.2	-71.8	170.8	0	0	0	111.8	R127 L128 L129	R127-L131 WeakPolarHBondContact O-CG 3.31Å; R127-L131 PolarHBondContact O-N 3.12Å; L128-L131 PolarHBondContact O-N 2.91Å; L129-L131 VanDerWaalsContact C-N 3.29Å; L129-L131 PolarHBondContact O-N 3.07Å
132	E	96.2	Very high	95.1	Very high	123 Å²	123	76.8 Å²	76.8	58%	0.575	38%	0.377	S	S	*	.	H	α-helix	trans	-77.2	-44.3	-178.4	-169.4	-175.7	162.5	0	0	112.4	L128 L129	L128-E132 PolarHBondContact O-N 3.23Å; L129-E132 PolarHBondContact O-N 3Å
133	Y	96.4	Very high	95.2	Very high	44 Å²	44	74.7 Å²	74.7	17%	0.173	37%	0.367	C	S	.	.	S	Bend	trans	-109.2	33	-176.1	-57.7	-78.5	0	0	0	112.1	T103 I104 K107 L129	T103-Y133 HydrophobicContact CG2-CD1 4.05Å; T103-Y133 HydrophobicContact CG2-CD2 4.47Å; T103-Y133 HydrophobicContact CG2-CE1 3.82Å; T103-Y133 HydrophobicContact CG2-CE2 4.29Å; T103-Y133 HydrophobicContact CG2-CG 4.38Å; I104-Y133 HydrophobicContact CG1-CD2 4.45Å; I104-Y133 HydrophobicContact CG1-CG 4.37Å; K107-Y133 HydrophobicContact CD-CE2 4.18Å; K107-Y133 PolarHBondContact NZ-OH 2.7Å; L129-Y133 HydrophobicContact CD2-CD2 4.1Å; L129-Y133 HydrophobicContact CD2-CE2 4.03Å; L129-Y133 WeakPolarHBondContact O-CA 3.37Å; L129-Y133 WeakPolarHBondContact O-CB 3.49Å; L129-Y133 PolarHBondContact O-N 2.97Å
134	G	93.3	Very high	95.2	Very high	29 Å²	29	70.9 Å²	70.9	30%	0.299	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-60.9	166.1	-178.3	0	0	0	0	0	114.4	E130	E130-G134 WeakPolarHBondContact O-CA 3.47Å; E130-G134 PolarHBondContact O-N 3.04Å
135	L	95	Very high	95.3	Very high	51 Å²	51	70.2 Å²	70.2	27%	0.267	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-78.1	143.3	175.5	-62	179.9	0	0	0	111.1	L93 C97 Q101 C139 V143	L93-L135 HydrophobicContact CD2-CD1 4.33Å; L93-L135 HydrophobicContact CD2-CD2 3.79Å; C97-L135 HydrophobicContact CB-CD2 3.88Å; Q101-L135 HydrophobicContact CG-CD2 4.09Å; L135-C139 HydrophobicContact CB-CB 4.39Å; L135-V143 HydrophobicContact CD1-CB 4.42Å; L135-V143 HydrophobicContact CD1-CG2 3.88Å
136	C	95.6	Very high	95.1	Very high	55 Å²	55	72.1 Å²	72.1	37%	0.372	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-65.1	156.9	168.3	79.8	0	0	0	0	111	C97 S138 C139 Y140	C97-C136 PolarHBondContact SG-N 2.74Å; C136-S138 PolarHBondContact O-N 3.36Å; C136-S138 VanDerWaalsContact O-N 3.1Å; C136-C139 PolarHBondContact O-N 3.02Å; C136-C139 VanDerWaalsContact O-N 3.11Å; C136-C139 PolarHBondContact SG-N 2.99Å; C136-C139 PolarHBondContact SG-SG 2.95Å; C136-Y140 WeakPolarHBondContact O-CB 3.05Å; C136-Y140 PolarHBondContact O-N 3.43Å
137	S	95.4	Very high	94.9	Very high	94 Å²	94	72.6 Å²	72.6	66%	0.657	36%	0.362	S	S	*	.	H	α-helix	trans	-57.8	-29.4	-175.6	64.1	0	0	0	0	114.2	R141	S137-R141 WeakPolarHBondContact O-CG 3.45Å; S137-R141 PolarHBondContact O-N 2.96Å; S137-R141 PolarHBondContact O-NE 3.24Å
138	S	95.9	Very high	94.7	Very high	52 Å²	52	76 Å²	76	36%	0.364	38%	0.376	S	S	.	.	H	α-helix	trans	-70.9	-51.9	175.2	-173.4	0	0	0	0	111.7	C136 Y140 R141 K142	C136-S138 PolarHBondContact O-N 3.36Å; C136-S138 VanDerWaalsContact O-N 3.1Å; S138-Y140 PolarHBondContact O-N 3.37Å; S138-R141 PolarHBondContact O-N 3.37Å; S138-K142 PolarHBondContact O-N 3.43Å; S138-K142 VanDerWaalsContact O-N 3.11Å
139	C	95.6	Very high	94.5	Very high	2 Å²	2	76.9 Å²	76.9	1%	0.014	38%	0.377	C	S	.	.	H	α-helix	trans	-63.7	-40.2	178.3	-67.5	0	0	0	0	111.9	L93 C94 C97 L135 C136 R141 K142 V143	L93-C139 HydrophobicContact CD2-CB 3.91Å; C94-C139 PolarHBondContact N-SG 3.08Å; C94-C139 VanDerWaalsContact SG-SG 3.68Å; C97-C139 HydrophobicContact CB-CB 4.33Å; C97-C139 VanDerWaalsContact SG-SG 3.65Å; L135-C139 HydrophobicContact CB-CB 4.39Å; C136-C139 PolarHBondContact O-N 3.02Å; C136-C139 VanDerWaalsContact O-N 3.11Å; C136-C139 PolarHBondContact SG-N 2.99Å; C136-C139 PolarHBondContact SG-SG 2.95Å; C139-R141 VanDerWaalsContact C-N 3.33Å; C139-R141 PolarHBondContact O-N 2.98Å; C139-K142 PolarHBondContact O-N 2.91Å; C139-V143 WeakPolarHBondContact O-CB 3.31Å; C139-V143 WeakPolarHBondContact O-CG2 3.34Å; C139-V143 PolarHBondContact O-N 3.08Å
140	Y	94.9	Very high	94.1	Very high	132 Å²	132	79.8 Å²	79.8	52%	0.518	39%	0.392	S	S	.	.	H	α-helix	trans	-57.2	-44.8	176.6	-177.1	-97.7	0	0	0	112.1	C136 S138 V143 N144	C136-Y140 WeakPolarHBondContact O-CB 3.05Å; C136-Y140 PolarHBondContact O-N 3.43Å; S138-Y140 PolarHBondContact O-N 3.37Å; Y140-V143 PolarHBondContact O-N 2.88Å; Y140-N144 WeakPolarHBondContact CE1-ND2 3.38Å; Y140-N144 PolarHBondContact O-N 2.88Å; Y140-N144 PolarHBondContact OH-ND2 3.11Å
141	R	95.6	Very high	93.6	Very high	156 Å²	156	79.5 Å²	79.5	59%	0.589	39%	0.394	S	S	*	.	H	α-helix	trans	-62.4	-48.6	174.5	-74.6	-177.2	-69.5	161.1	-2.7	111.9	S137 S138 C139 V143 N144 D145	S137-R141 WeakPolarHBondContact O-CG 3.45Å; S137-R141 PolarHBondContact O-N 2.96Å; S137-R141 PolarHBondContact O-NE 3.24Å; S138-R141 PolarHBondContact O-N 3.37Å; C139-R141 VanDerWaalsContact C-N 3.33Å; C139-R141 PolarHBondContact O-N 2.98Å; R141-V143 VanDerWaalsContact C-N 3.31Å; R141-V143 PolarHBondContact O-N 3.39Å; R141-N144 PolarHBondContact O-N 3Å; R141-D145 PolarHBondContact O-N 3.01Å
142	K	95	Very high	93.4	Very high	102 Å²	102	83 Å²	83	44%	0.443	40%	0.4	S	S	.	.	H	α-helix	trans	-56.9	-43.4	177.2	-70.6	179.8	175.1	-171.6	0	112.3	V92 S138 C139 K146	V92-K142 HydrophobicContact CG1-CB 4.04Å; V92-K142 WeakPolarHBondContact O-CD 3.33Å; S138-K142 PolarHBondContact O-N 3.43Å; S138-K142 VanDerWaalsContact O-N 3.11Å; C139-K142 PolarHBondContact O-N 2.91Å; K142-K146 WeakPolarHBondContact O-CB 3.46Å; K142-K146 PolarHBondContact O-N 3.33Å
143	V	93.3	Very high	93.1	Very high	23 Å²	23	84.3 Å²	84.3	14%	0.139	41%	0.405	C	S	.	.	H	α-helix	trans	-62.2	-49.3	176.4	169.2	0	0	0	0	110.5	V92 L93 L135 C139 Y140 R141 D145 K146 L147	V92-V143 HydrophobicContact CG1-CB 4.35Å; V92-V143 HydrophobicContact CG1-CG2 3.53Å; L93-V143 HydrophobicContact CD2-CG2 3.72Å; L135-V143 HydrophobicContact CD1-CB 4.42Å; L135-V143 HydrophobicContact CD1-CG2 3.88Å; C139-V143 WeakPolarHBondContact O-CB 3.31Å; C139-V143 WeakPolarHBondContact O-CG2 3.34Å; C139-V143 PolarHBondContact O-N 3.08Å; Y140-V143 PolarHBondContact O-N 2.88Å; R141-V143 VanDerWaalsContact C-N 3.31Å; R141-V143 PolarHBondContact O-N 3.39Å; V143-D145 VanDerWaalsContact C-N 3.34Å; V143-D145 PolarHBondContact O-N 2.85Å; V143-K146 PolarHBondContact O-N 2.87Å; V143-L147 HydrophobicContact CG1-CD1 4.16Å; V143-L147 HydrophobicContact CG1-CG 4.38Å; V143-L147 WeakPolarHBondContact O-CG 3.49Å; V143-L147 PolarHBondContact O-N 3.42Å
144	N	93.8	Very high	92.8	Very high	50 Å²	50	87 Å²	87	27%	0.267	42%	0.421	S	S	.	.	H	α-helix	trans	-63.6	-38.7	-179.7	-79.6	-9	0	0	0	112.9	Y140 R141 K146 L147 R148	Y140-N144 WeakPolarHBondContact CE1-ND2 3.38Å; Y140-N144 PolarHBondContact O-N 2.88Å; Y140-N144 PolarHBondContact OH-ND2 3.11Å; R141-N144 PolarHBondContact O-N 3Å; N144-K146 VanDerWaalsContact C-N 3.35Å; N144-L147 PolarHBondContact O-N 2.88Å; N144-R148 WeakPolarHBondContact O-CB 3.4Å; N144-R148 PolarHBondContact O-N 3.07Å
145	D	94.3	Very high	92.4	Very high	73 Å²	73	90.2 Å²	90.2	39%	0.39	43%	0.431	S	S	.	.	H	α-helix	trans	-66.9	-39.1	174.9	-71.4	-28.9	0	0	0	111.1	R141 V143 R148 Q149	R141-D145 PolarHBondContact O-N 3.01Å; V143-D145 VanDerWaalsContact C-N 3.34Å; V143-D145 PolarHBondContact O-N 2.85Å; D145-R148 PolarHBondContact O-N 3.26Å; D145-R148 IonicContact OD1-CZ 2.53Å; D145-R148 IonicContact OD1-NH1 2.73Å; D145-R148 PolarHBondContact OD1-NH1 3.42Å; D145-R148 IonicContact OD1-NH2 3.74Å; D145-Q149 VanDerWaalsContact O-CG 3.28Å; D145-Q149 WeakPolarHBondContact O-CG 3.13Å; D145-Q149 PolarHBondContact O-N 2.82Å
146	K	92	Very high	92	Very high	98 Å²	98	91 Å²	91	43%	0.426	44%	0.439	S	S	.	.	H	α-helix	trans	-65.4	-41.5	175.3	-169.8	63.4	176	-173.5	0	112.2	K142 V143 N144 Q149 L150	K142-K146 WeakPolarHBondContact O-CB 3.46Å; K142-K146 PolarHBondContact O-N 3.33Å; V143-K146 PolarHBondContact O-N 2.87Å; N144-K146 VanDerWaalsContact C-N 3.35Å; K146-Q149 PolarHBondContact O-N 3.45Å; K146-L150 HydrophobicContact CG-CD1 4.47Å; K146-L150 WeakPolarHBondContact O-CG 3.13Å; K146-L150 PolarHBondContact O-N 2.78Å
147	L	90.1	Very high	91.5	Very high	43 Å²	43	91.5 Å²	91.5	23%	0.225	44%	0.444	C	S	.	.	H	α-helix	trans	-60.5	-48.4	173.9	-71.4	173.3	0	0	0	111.1	V143 N144 Q149 L150 D151	V143-L147 HydrophobicContact CG1-CD1 4.16Å; V143-L147 HydrophobicContact CG1-CG 4.38Å; V143-L147 WeakPolarHBondContact O-CG 3.49Å; V143-L147 PolarHBondContact O-N 3.42Å; N144-L147 PolarHBondContact O-N 2.88Å; L147-Q149 VanDerWaalsContact C-N 3.26Å; L147-Q149 PolarHBondContact O-N 3.18Å; L147-L150 CarbonylContact O-C 3.56Å; L147-L150 WeakPolarHBondContact O-CA 3.41Å; L147-L150 WeakPolarHBondContact O-CB 3.15Å; L147-L150 PolarHBondContact O-N 2.87Å; L147-D151 VanDerWaalsContact O-CG 3.29Å; L147-D151 PolarHBondContact O-N 3.29Å
148	R	92	Very high	90.9	Very high	159 Å²	159	92.7 Å²	92.7	60%	0.6	44%	0.437	S	S	*	.	H	α-helix	trans	-58.9	-39.1	178.2	-166.9	-174.3	-58.4	130.8	7.3	112	N144 D145 Y152	N144-R148 WeakPolarHBondContact O-CB 3.4Å; N144-R148 PolarHBondContact O-N 3.07Å; D145-R148 PolarHBondContact O-N 3.26Å; D145-R148 IonicContact OD1-CZ 2.53Å; D145-R148 IonicContact OD1-NH1 2.73Å; D145-R148 PolarHBondContact OD1-NH1 3.42Å; D145-R148 IonicContact OD1-NH2 3.74Å; R148-Y152 WeakPolarHBondContact O-CB 3.21Å; R148-Y152 PolarHBondContact O-N 3.16Å
149	Q	91.9	Very high	90.2	Very high	104 Å²	104	93.6 Å²	93.6	49%	0.486	44%	0.437	S	S	.	.	H	α-helix	trans	-65.5	-39.2	174.5	-73.1	173.8	12.6	0	0	112.6	D145 K146 L147 K153	D145-Q149 VanDerWaalsContact O-CG 3.28Å; D145-Q149 WeakPolarHBondContact O-CG 3.13Å; D145-Q149 PolarHBondContact O-N 2.82Å; K146-Q149 PolarHBondContact O-N 3.45Å; L147-Q149 VanDerWaalsContact C-N 3.26Å; L147-Q149 PolarHBondContact O-N 3.18Å; Q149-K153 WeakPolarHBondContact O-CG 3.44Å; Q149-K153 PolarHBondContact O-N 3.37Å
150	L	89.1	Confident	89.6	Confident	64 Å²	64	98 Å²	98	34%	0.335	46%	0.46	S	S	.	.	H	α-helix	trans	-69	-45.7	176.1	-70.7	172.2	0	0	0	110.9	K146 L147 Y152 K153 L154	K146-L150 HydrophobicContact CG-CD1 4.47Å; K146-L150 WeakPolarHBondContact O-CG 3.13Å; K146-L150 PolarHBondContact O-N 2.78Å; L147-L150 CarbonylContact O-C 3.56Å; L147-L150 WeakPolarHBondContact O-CA 3.41Å; L147-L150 WeakPolarHBondContact O-CB 3.15Å; L147-L150 PolarHBondContact O-N 2.87Å; L150-Y152 VanDerWaalsContact C-N 3.33Å; L150-Y152 PolarHBondContact O-N 2.99Å; L150-K153 PolarHBondContact O-N 3.31Å; L150-L154 HydrophobicContact CB-CD1 4.42Å; L150-L154 WeakPolarHBondContact O-CB 3.47Å; L150-L154 VanDerWaalsContact O-CG 3.3Å; L150-L154 WeakPolarHBondContact O-CG 3.46Å; L150-L154 PolarHBondContact O-N 3.5Å
151	D	84.9	Confident	89	Confident	99 Å²	99	98.6 Å²	98.6	53%	0.529	46%	0.462	S	S	.	.	H	α-helix	trans	-58.3	-46.1	176.7	-68.1	-18.9	0	0	0	110.7	L147 K153 L154 L155	L147-D151 VanDerWaalsContact O-CG 3.29Å; L147-D151 PolarHBondContact O-N 3.29Å; D151-K153 PolarHBondContact O-N 3.39Å; D151-L154 PolarHBondContact O-N 3.03Å; D151-L155 WeakPolarHBondContact O-CA 3.37Å; D151-L155 WeakPolarHBondContact O-CB 3.37Å; D151-L155 PolarHBondContact O-N 2.72Å
152	Y	90.6	Very high	88	Confident	189 Å²	189	96.9 Å²	96.9	74%	0.741	46%	0.455	S	S	*	.	H	α-helix	trans	-58.1	-35.7	175.9	179.4	-98	0	0	0	113	R148 L150 P156	R148-Y152 WeakPolarHBondContact O-CB 3.21Å; R148-Y152 PolarHBondContact O-N 3.16Å; L150-Y152 VanDerWaalsContact C-N 3.33Å; L150-Y152 PolarHBondContact O-N 2.99Å; Y152-P156 VanDerWaalsContact O-CD 3.28Å; Y152-P156 WeakPolarHBondContact O-CD 3.45Å
153	K	90.7	Very high	87	Confident	152 Å²	152	96.4 Å²	96.4	66%	0.661	45%	0.454	S	S	*	.	H	α-helix	trans	-79	-38.3	178.5	-72.5	178.4	179.9	-171.4	0	113.1	Q149 L150 D151	Q149-K153 WeakPolarHBondContact O-CG 3.44Å; Q149-K153 PolarHBondContact O-N 3.37Å; L150-K153 PolarHBondContact O-N 3.31Å; D151-K153 PolarHBondContact O-N 3.39Å
154	L	89.4	Confident	86.2	Confident	100 Å²	100	99.4 Å²	99.4	52%	0.524	47%	0.47	S	S	.	.	H	α-helix	trans	-87.4	-34.7	-173	-66.8	172.9	0	0	0	112.3	L150 D151 S157 F158	L150-L154 HydrophobicContact CB-CD1 4.42Å; L150-L154 WeakPolarHBondContact O-CB 3.47Å; L150-L154 VanDerWaalsContact O-CG 3.3Å; L150-L154 WeakPolarHBondContact O-CG 3.46Å; L150-L154 PolarHBondContact O-N 3.5Å; D151-L154 PolarHBondContact O-N 3.03Å; L154-S157 PolarHBondContact O-N 3.43Å; L154-S157 VanDerWaalsContact O-N 3.1Å; L154-S157 PolarHBondContact O-OG 3.47Å; L154-F158 WeakPolarHBondContact O-CB 3.42Å; L154-F158 PolarHBondContact O-N 2.93Å
155	L	86.2	Confident	84.7	Confident	96 Å²	96	99 Å²	99	50%	0.503	47%	0.468	S	S	.	.	H	α-helix	trans	-56.3	-43.1	-173.8	-176.1	64.9	0	0	0	113.2	D151 F158 I159	D151-L155 WeakPolarHBondContact O-CA 3.37Å; D151-L155 WeakPolarHBondContact O-CB 3.37Å; D151-L155 PolarHBondContact O-N 2.72Å; L155-F158 HydrophobicContact CD1-CD1 4.49Å; L155-F158 PolarHBondContact O-N 3.33Å; L155-I159 HydrophobicContact CD1-CD1 3.98Å; L155-I159 HydrophobicContact CD1-CG1 4.17Å; L155-I159 HydrophobicContact CD2-CD1 4.48Å; L155-I159 HydrophobicContact CG-CD1 3.78Å; L155-I159 HydrophobicContact CG-CG1 4.38Å; L155-I159 WeakPolarHBondContact O-CB 3.34Å; L155-I159 VanDerWaalsContact O-CG1 3.23Å; L155-I159 WeakPolarHBondContact O-CG1 3.29Å; L155-I159 PolarHBondContact O-N 3.22Å
156	P	86.7	Confident	83.2	Confident	68 Å²	68	100.1 Å²	100.1	44%	0.442	47%	0.469	S	S	.	.	H	α-helix	trans	-59.7	-49.1	174.5	-23.6	34.8	0	0	0	112.2	Y152 F158 I159 D160	Y152-P156 VanDerWaalsContact O-CD 3.28Å; Y152-P156 WeakPolarHBondContact O-CD 3.45Å; P156-F158 VanDerWaalsContact C-N 3.29Å; P156-F158 PolarHBondContact O-N 2.96Å; P156-I159 PolarHBondContact O-N 3.2Å; P156-D160 WeakPolarHBondContact O-CB 3.33Å; P156-D160 VanDerWaalsContact O-CG 3.27Å; P156-D160 PolarHBondContact O-N 2.9Å
157	S	84.9	Confident	81.6	Confident	66 Å²	66	101.3 Å²	101.3	46%	0.462	48%	0.476	S	S	.	.	H	α-helix	trans	-63.7	-34.3	179	70.1	0	0	0	0	113.1	L154 W161	L154-S157 PolarHBondContact O-N 3.43Å; L154-S157 VanDerWaalsContact O-N 3.1Å; L154-S157 PolarHBondContact O-OG 3.47Å; S157-W161 WeakPolarHBondContact O-CB 3.44Å; S157-W161 PolarHBondContact O-N 3.33Å
158	F	81.7	Confident	79.8	Confident	118 Å²	118	104.2 Å²	104.2	52%	0.518	49%	0.489	S	S	.	.	H	α-helix	trans	-68.9	-43	174.9	175.3	-98.5	0	0	0	111.4	L154 L155 P156 W161 W162	L154-F158 WeakPolarHBondContact O-CB 3.42Å; L154-F158 PolarHBondContact O-N 2.93Å; L155-F158 HydrophobicContact CD1-CD1 4.49Å; L155-F158 PolarHBondContact O-N 3.33Å; P156-F158 VanDerWaalsContact C-N 3.29Å; P156-F158 PolarHBondContact O-N 2.96Å; F158-W161 HydrophobicContact CD2-CE3 4.36Å; F158-W161 HydrophobicContact CE2-CE3 4.29Å; F158-W161 HydrophobicContact CE2-CZ3 4.2Å; F158-W161 PolarHBondContact O-N 2.98Å; F158-W162 VanDerWaalsContact O-CB 3.24Å; F158-W162 WeakPolarHBondContact O-CB 3.44Å; F158-W162 PolarHBondContact O-N 2.91Å
159	I	81.7	Confident	77.8	Confident	71 Å²	71	100.6 Å²	100.6	36%	0.364	49%	0.485	S	S	.	.	H	α-helix	trans	-63	-45.5	175.2	-72.6	169.1	0	0	0	110.2	L155 P156 W162 H163	L155-I159 HydrophobicContact CD1-CD1 3.98Å; L155-I159 HydrophobicContact CD1-CG1 4.17Å; L155-I159 HydrophobicContact CD2-CD1 4.48Å; L155-I159 HydrophobicContact CG-CD1 3.78Å; L155-I159 HydrophobicContact CG-CG1 4.38Å; L155-I159 WeakPolarHBondContact O-CB 3.34Å; L155-I159 VanDerWaalsContact O-CG1 3.23Å; L155-I159 WeakPolarHBondContact O-CG1 3.29Å; L155-I159 PolarHBondContact O-N 3.22Å; P156-I159 PolarHBondContact O-N 3.2Å; I159-W162 PolarHBondContact O-N 3.28Å; I159-H163 VanDerWaalsContact CG2-CD2 3.45Å; I159-H163 WeakPolarHBondContact CG2-CD2 3.31Å; I159-H163 PolarHBondContact O-CD2 2.7Å; I159-H163 PolarHBondContact O-N 2.68Å
160	D	83.7	Confident	75.8	Confident	94 Å²	94	99.1 Å²	99.1	50%	0.503	48%	0.479	S	S	.	.	H	α-helix	trans	-62.2	-47.8	176.6	-69.7	-23.9	0	0	0	111.4	P156 W162 H163 N164	P156-D160 WeakPolarHBondContact O-CB 3.33Å; P156-D160 VanDerWaalsContact O-CG 3.27Å; P156-D160 PolarHBondContact O-N 2.9Å; D160-W162 VanDerWaalsContact C-N 3.29Å; D160-W162 PolarHBondContact O-N 2.84Å; D160-H163 PolarHBondContact O-N 3.3Å; D160-N164 VanDerWaalsContact O-CB 3.25Å; D160-N164 WeakPolarHBondContact O-CB 3.43Å; D160-N164 PolarHBondContact O-N 2.53Å; D160-N164 PolarHBondContact O-ND2 2.89Å
161	W	81.1	Confident	73.6	Confident	145 Å²	145	98.3 Å²	98.3	55%	0.549	48%	0.479	S	S	.	.	H	α-helix	trans	-57.3	-42.6	173.2	173.5	91	0	0	0	111.4	S157 F158 N164 N165	S157-W161 WeakPolarHBondContact O-CB 3.44Å; S157-W161 PolarHBondContact O-N 3.33Å; F158-W161 HydrophobicContact CD2-CE3 4.36Å; F158-W161 HydrophobicContact CE2-CE3 4.29Å; F158-W161 HydrophobicContact CE2-CZ3 4.2Å; F158-W161 PolarHBondContact O-N 2.98Å; W161-N164 PolarHBondContact O-N 2.73Å; W161-N165 WeakPolarHBondContact CZ2-ND2 3.49Å; W161-N165 PolarHBondContact NE1-ND2 3.2Å; W161-N165 WeakPolarHBondContact O-CB 3.31Å; W161-N165 PolarHBondContact O-N 3.34Å
162	W	75.7	Confident	71.7	Confident	120 Å²	120	98.1 Å²	98.1	46%	0.455	48%	0.477	S	S	.	.	H	α-helix	trans	-67.1	-43.3	179.2	-176.3	85.2	0	0	0	111.9	F158 I159 D160 N165 K166	F158-W162 VanDerWaalsContact O-CB 3.24Å; F158-W162 WeakPolarHBondContact O-CB 3.44Å; F158-W162 PolarHBondContact O-N 2.91Å; I159-W162 PolarHBondContact O-N 3.28Å; D160-W162 VanDerWaalsContact C-N 3.29Å; D160-W162 PolarHBondContact O-N 2.84Å; W162-N165 PolarHBondContact O-N 2.94Å; W162-K166 HydrophobicContact CH2-CD 4.07Å; W162-K166 HydrophobicContact CZ2-CD 4.33Å; W162-K166 HydrophobicContact CZ3-CD 4.38Å; W162-K166 VanDerWaalsContact O-CB 3.29Å; W162-K166 WeakPolarHBondContact O-CB 3.35Å; W162-K166 PolarHBondContact O-N 3.42Å
163	H	74.1	Confident	69.4	Low	92 Å²	92	93.1 Å²	93.1	43%	0.426	47%	0.466	S	S	.	.	H	α-helix	trans	-63.3	-45.4	174.3	-78.8	-62.2	0	0	0	111.7	I159 D160 K166 Q167	I159-H163 VanDerWaalsContact CG2-CD2 3.45Å; I159-H163 WeakPolarHBondContact CG2-CD2 3.31Å; I159-H163 PolarHBondContact O-CD2 2.7Å; I159-H163 PolarHBondContact O-N 2.68Å; D160-H163 PolarHBondContact O-N 3.3Å; H163-K166 PolarHBondContact O-N 3.49Å; H163-Q167 WeakPolarHBondContact O-CB 3.18Å; H163-Q167 WeakPolarHBondContact O-CG 3.35Å; H163-Q167 PolarHBondContact O-N 2.81Å
164	N	75.1	Confident	66.8	Low	86 Å²	86	94.8 Å²	94.8	46%	0.46	47%	0.468	S	S	.	.	H	α-helix	trans	-66.2	-37.5	177.8	-71.3	-26.4	0	0	0	111.8	D160 W161 Q167 Q168	D160-N164 VanDerWaalsContact O-CB 3.25Å; D160-N164 WeakPolarHBondContact O-CB 3.43Å; D160-N164 PolarHBondContact O-N 2.53Å; D160-N164 PolarHBondContact O-ND2 2.89Å; W161-N164 PolarHBondContact O-N 2.73Å; N164-Q167 CarbonylContact O-C 3.56Å; N164-Q167 PolarHBondContact O-N 2.85Å; N164-Q168 WeakPolarHBondContact O-CB 3.43Å; N164-Q168 WeakPolarHBondContact O-CG 3.27Å; N164-Q168 PolarHBondContact O-N 3.32Å
165	N	63.8	Low	64.5	Low	43 Å²	43	93.8 Å²	93.8	23%	0.23	47%	0.47	C	S	.	.	H	α-helix	trans	-75.6	-30.2	176.1	-81	-0	0	0	0	113.2	W161 W162 Q167 Q168 T169	W161-N165 WeakPolarHBondContact CZ2-ND2 3.49Å; W161-N165 PolarHBondContact NE1-ND2 3.2Å; W161-N165 WeakPolarHBondContact O-CB 3.31Å; W161-N165 PolarHBondContact O-N 3.34Å; W162-N165 PolarHBondContact O-N 2.94Å; N165-Q167 VanDerWaalsContact C-N 3.33Å; N165-Q168 CarbonylContact O-C 3.58Å; N165-Q168 PolarHBondContact O-N 3.41Å; N165-T169 WeakPolarHBondContact O-CB 3.33Å; N165-T169 WeakPolarHBondContact O-CG2 3.47Å; N165-T169 PolarHBondContact O-N 3.5Å; N165-T169 PolarHBondContact O-OG1 3.43Å
166	K	62.6	Low	62.5	Low	95 Å²	95	92.6 Å²	92.6	41%	0.413	47%	0.469	S	S	.	.	H	α-helix	trans	-66.1	-42.2	168.4	-166.1	175.9	-178.6	-178.7	0	109.8	W162 H163 Q168 T169 I170	W162-K166 HydrophobicContact CH2-CD 4.07Å; W162-K166 HydrophobicContact CZ2-CD 4.33Å; W162-K166 HydrophobicContact CZ3-CD 4.38Å; W162-K166 VanDerWaalsContact O-CB 3.29Å; W162-K166 WeakPolarHBondContact O-CB 3.35Å; W162-K166 PolarHBondContact O-N 3.42Å; H163-K166 PolarHBondContact O-N 3.49Å; K166-Q168 VanDerWaalsContact C-N 3.34Å; K166-T169 WeakPolarHBondContact CA-OG1 3.49Å; K166-T169 PolarHBondContact O-N 2.97Å; K166-T169 PolarHBondContact O-OG1 2.89Å; K166-I170 HydrophobicContact CG-CD1 4.13Å; K166-I170 VanDerWaalsContact O-CB 3.32Å; K166-I170 WeakPolarHBondContact O-CB 3.34Å; K166-I170 WeakPolarHBondContact O-CD1 3.39Å; K166-I170 WeakPolarHBondContact O-CG1 3.27Å; K166-I170 PolarHBondContact O-N 2.82Å
167	Q	58.3	Low	60.5	Low	123 Å²	123	94.7 Å²	94.7	58%	0.575	48%	0.476	S	S	*	.	H	α-helix	trans	-67.5	-30.8	171.5	-70.7	-177.9	23	0	0	112.6	H163 N164 N165 I170 S171	H163-Q167 WeakPolarHBondContact O-CB 3.18Å; H163-Q167 WeakPolarHBondContact O-CG 3.35Å; H163-Q167 PolarHBondContact O-N 2.81Å; N164-Q167 CarbonylContact O-C 3.56Å; N164-Q167 PolarHBondContact O-N 2.85Å; N165-Q167 VanDerWaalsContact C-N 3.33Å; Q167-I170 CarbonylContact O-C 3.48Å; Q167-S171 VanDerWaalsContact O-CA 3.29Å; Q167-S171 WeakPolarHBondContact O-CA 3.47Å; Q167-S171 WeakPolarHBondContact O-CB 3.21Å; Q167-S171 PolarHBondContact O-N 3.23Å; Q167-S171 PolarHBondContact O-OG 3.45Å
168	Q	52.5	Low	58.3	Low	104 Å²	104	96.2 Å²	96.2	49%	0.486	49%	0.486	S	S	.	.	H	α-helix	trans	-77	-30.9	172.6	-80.1	-176.3	6.4	0	0	112.8	N164 N165 K166 S171 I172	N164-Q168 WeakPolarHBondContact O-CB 3.43Å; N164-Q168 WeakPolarHBondContact O-CG 3.27Å; N164-Q168 PolarHBondContact O-N 3.32Å; N165-Q168 CarbonylContact O-C 3.58Å; N165-Q168 PolarHBondContact O-N 3.41Å; K166-Q168 VanDerWaalsContact C-N 3.34Å; Q168-S171 VanDerWaalsContact CA-OG 3.27Å; Q168-S171 WeakPolarHBondContact CA-OG 3.45Å; Q168-S171 CarbonylContact O-C 3.58Å; Q168-S171 PolarHBondContact O-N 3.01Å; Q168-I172 HydrophobicContact CB-CD1 4.33Å; Q168-I172 WeakPolarHBondContact O-CA 3.34Å; Q168-I172 WeakPolarHBondContact O-CB 3.49Å; Q168-I172 VanDerWaalsContact O-CD1 3.3Å; Q168-I172 WeakPolarHBondContact O-CD1 3.5Å; Q168-I172 WeakPolarHBondContact O-CG1 3.42Å; Q168-I172 PolarHBondContact O-N 2.87Å
169	T	48.8	Very low	56.8	Low	84 Å²	84	95.2 Å²	95.2	52%	0.515	49%	0.486	S	S	.	.	H	α-helix	trans	-72.2	-38.6	171.1	44.7	0	0	0	0	109.8	N165 K166 T173	N165-T169 WeakPolarHBondContact O-CB 3.33Å; N165-T169 WeakPolarHBondContact O-CG2 3.47Å; N165-T169 PolarHBondContact O-N 3.5Å; N165-T169 PolarHBondContact O-OG1 3.43Å; K166-T169 WeakPolarHBondContact CA-OG1 3.49Å; K166-T169 PolarHBondContact O-N 2.97Å; K166-T169 PolarHBondContact O-OG1 2.89Å; T169-T173 WeakPolarHBondContact O-CB 3.49Å; T169-T173 VanDerWaalsContact O-CG2 3.31Å; T169-T173 WeakPolarHBondContact O-CG2 3.4Å; T169-T173 PolarHBondContact O-N 3.41Å; T169-T173 PolarHBondContact O-OG1 3.38Å
170	I	50.4	Low	55	Low	72 Å²	72	100.8 Å²	100.8	37%	0.369	51%	0.507	S	S	.	.	H	α-helix	trans	-67.2	-35.5	170.1	-65.2	164.7	0	0	0	111.6	K166 Q167 T173 R174	K166-I170 HydrophobicContact CG-CD1 4.13Å; K166-I170 VanDerWaalsContact O-CB 3.32Å; K166-I170 WeakPolarHBondContact O-CB 3.34Å; K166-I170 WeakPolarHBondContact O-CD1 3.39Å; K166-I170 WeakPolarHBondContact O-CG1 3.27Å; K166-I170 PolarHBondContact O-N 2.82Å; Q167-I170 CarbonylContact O-C 3.48Å; I170-T173 WeakPolarHBondContact CA-OG1 3.43Å; I170-T173 CarbonylContact O-C 3.51Å; I170-T173 PolarHBondContact O-OG1 3.02Å; I170-R174 WeakPolarHBondContact O-CB 3.37Å; I170-R174 WeakPolarHBondContact O-CG 3.38Å; I170-R174 PolarHBondContact O-N 3.15Å
171	S	42.9	Very low	53.4	Low	48 Å²	48	99.9 Å²	99.9	34%	0.336	51%	0.505	S	S	.	.	H	α-helix	trans	-95	-13.3	-178.2	70.4	0	0	0	0	113.7	Q167 Q168 R174 S175	Q167-S171 VanDerWaalsContact O-CA 3.29Å; Q167-S171 WeakPolarHBondContact O-CA 3.47Å; Q167-S171 WeakPolarHBondContact O-CB 3.21Å; Q167-S171 PolarHBondContact O-N 3.23Å; Q167-S171 PolarHBondContact O-OG 3.45Å; Q168-S171 VanDerWaalsContact CA-OG 3.27Å; Q168-S171 WeakPolarHBondContact CA-OG 3.45Å; Q168-S171 CarbonylContact O-C 3.58Å; Q168-S171 PolarHBondContact O-N 3.01Å; S171-R174 CarbonylContact O-C 3.58Å; S171-R174 PolarHBondContact O-N 3.42Å; S171-S175 VanDerWaalsContact O-CA 3.25Å; S171-S175 WeakPolarHBondContact O-CA 3.23Å; S171-S175 WeakPolarHBondContact O-CB 3.4Å; S171-S175 PolarHBondContact O-N 3.34Å; S171-S175 PolarHBondContact O-OG 3.27Å
172	I	45.7	Very low	52.3	Low	94 Å²	94	96 Å²	96	48%	0.482	50%	0.498	S	S	.	.	H	α-helix	trans	-77.1	-40.7	161.5	-71.6	162	0	0	0	106.2	Q168 R174 S175 S176	Q168-I172 HydrophobicContact CB-CD1 4.33Å; Q168-I172 WeakPolarHBondContact O-CA 3.34Å; Q168-I172 WeakPolarHBondContact O-CB 3.49Å; Q168-I172 VanDerWaalsContact O-CD1 3.3Å; Q168-I172 WeakPolarHBondContact O-CD1 3.5Å; Q168-I172 WeakPolarHBondContact O-CG1 3.42Å; Q168-I172 PolarHBondContact O-N 2.87Å; I172-R174 PolarHBondContact O-N 3.11Å; I172-S175 PolarHBondContact O-N 2.83Å; I172-S176 WeakPolarHBondContact O-CA 3.31Å; I172-S176 WeakPolarHBondContact O-CB 3.27Å; I172-S176 PolarHBondContact O-N 2.83Å; I172-S176 PolarHBondContact O-OG 2.95Å
173	T	40.7	Very low	52	Low	84 Å²	84	100 Å²	100	52%	0.515	51%	0.514	S	S	.	.	H	α-helix	trans	-65.2	-22.5	167	50.6	0	0	0	0	113.2	T169 I170 I177	T169-T173 WeakPolarHBondContact O-CB 3.49Å; T169-T173 VanDerWaalsContact O-CG2 3.31Å; T169-T173 WeakPolarHBondContact O-CG2 3.4Å; T169-T173 PolarHBondContact O-N 3.41Å; T169-T173 PolarHBondContact O-OG1 3.38Å; I170-T173 WeakPolarHBondContact CA-OG1 3.43Å; I170-T173 CarbonylContact O-C 3.51Å; I170-T173 PolarHBondContact O-OG1 3.02Å; T173-I177 WeakPolarHBondContact O-CB 3.48Å; T173-I177 WeakPolarHBondContact O-CD1 3.24Å; T173-I177 WeakPolarHBondContact O-CG1 3.28Å
174	R	37.2	Very low	51.6	Low	188 Å²	188	102 Å²	102	71%	0.709	52%	0.523	S	S	*	.	H	α-helix	trans	-94.4	-28.9	170.2	-69.1	169.8	169.8	165.6	-3	115.6	I170 S171 I172 I177 S178	I170-R174 WeakPolarHBondContact O-CB 3.37Å; I170-R174 WeakPolarHBondContact O-CG 3.38Å; I170-R174 PolarHBondContact O-N 3.15Å; S171-R174 CarbonylContact O-C 3.58Å; S171-R174 PolarHBondContact O-N 3.42Å; I172-R174 PolarHBondContact O-N 3.11Å; R174-I177 CarbonylContact O-C 3.58Å; R174-I177 PolarHBondContact O-N 2.79Å; R174-S178 PolarHBondContact O-N 2.89Å
175	S	41	Very low	51.4	Low	79 Å²	79	101.6 Å²	101.6	55%	0.552	52%	0.52	S	S	*	.	H	α-helix	trans	-95.3	-28.7	-175.3	67.3	0	0	0	0	112.1	S171 I172 I177 S178	S171-S175 VanDerWaalsContact O-CA 3.25Å; S171-S175 WeakPolarHBondContact O-CA 3.23Å; S171-S175 WeakPolarHBondContact O-CB 3.4Å; S171-S175 PolarHBondContact O-N 3.34Å; S171-S175 PolarHBondContact O-OG 3.27Å; I172-S175 PolarHBondContact O-N 2.83Å; S175-I177 PolarHBondContact O-N 2.93Å; S175-S178 PolarHBondContact O-N 2.92Å
176	S	44.5	Very low	51.9	Low	70 Å²	70	103.4 Å²	103.4	49%	0.49	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-2.6	158.1	73.9	0	0	0	0	112.6	I172	I172-S176 WeakPolarHBondContact O-CA 3.31Å; I172-S176 WeakPolarHBondContact O-CB 3.27Å; I172-S176 PolarHBondContact O-N 2.83Å; I172-S176 PolarHBondContact O-OG 2.95Å
177	I	43.4	Very low	52.6	Low	113 Å²	113	103.3 Å²	103.3	58%	0.579	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	26.7	169.1	-44.3	178.6	0	0	0	111.2	T173 R174 S175	T173-I177 WeakPolarHBondContact O-CB 3.48Å; T173-I177 WeakPolarHBondContact O-CD1 3.24Å; T173-I177 WeakPolarHBondContact O-CG1 3.28Å; R174-I177 CarbonylContact O-C 3.58Å; R174-I177 PolarHBondContact O-N 2.79Å; S175-I177 PolarHBondContact O-N 2.93Å
178	S	40.1	Very low	53.5	Low	97 Å²	97	103.5 Å²	103.5	68%	0.678	53%	0.528	S	S	*	.			trans	-89.6	30.6	143.3	-156.7	0	0	0	0	109.7	R174 S175 K180	R174-S178 PolarHBondContact O-N 2.89Å; S175-S178 PolarHBondContact O-N 2.92Å; S178-K180 PolarHBondContact O-N 2.78Å
179	L	48.5	Very low	54.7	Low	98 Å²	98	103.3 Å²	103.3	51%	0.513	53%	0.525	S	S	.	.	S	Bend	trans	-57.9	99.8	136.3	-64	174.7	0	0	0	103.8	T181	L179-T181 PolarHBondContact O-N 3.3Å
180	K	44.5	Very low	56.2	Low	188 Å²	188	103.9 Å²	103.9	82%	0.817	52%	0.522	S	S	*	.			trans	-41.2	106.2	147.8	-71.6	179.4	179.2	178.1	0	102.8	S178 P182	S178-K180 PolarHBondContact O-N 2.78Å; K180-P182 VanDerWaalsContact C-N 3.28Å; K180-P182 WeakPolarHBondContact O-CD 3.44Å
181	T	50.7	Low	57.8	Low	74 Å²	74	104.4 Å²	104.4	45%	0.454	53%	0.525	S	S	.	.			trans	-52	110	170.3	26.4	0	0	0	0	101.8	L179 R183	L179-T181 PolarHBondContact O-N 3.3Å; T181-R183 PolarHBondContact O-N 2.94Å; T181-R183 VanDerWaalsContact O-N 3.07Å
182	P	57.3	Low	59.8	Low	63 Å²	63	104.4 Å²	104.4	41%	0.409	52%	0.519	S	S	.	.			trans	-52.6	132.7	-171	17.8	-31.3	0	0	0	104.7	K180 Q184 I185	K180-P182 VanDerWaalsContact C-N 3.28Å; K180-P182 WeakPolarHBondContact O-CD 3.44Å; P182-Q184 HydrophobicContact CB-CB 4.49Å; P182-Q184 CarbonylContact O-C 3.52Å; P182-Q184 PolarHBondContact O-N 3.26Å; P182-I185 HydrophobicContact CG-CB 4.36Å; P182-I185 HydrophobicContact CG-CD1 3.65Å; P182-I185 HydrophobicContact CG-CG1 3.79Å; P182-I185 PolarHBondContact O-N 2.89Å
183	R	70.1	Confident	61.5	Low	206 Å²	206	102.8 Å²	102.8	78%	0.777	51%	0.511	S	S	*	.	H	α-helix	trans	-44.7	-31.1	-175.2	-170.8	-178.3	173.7	171.2	-1.7	111.5	T181 I186 I187	T181-R183 PolarHBondContact O-N 2.94Å; T181-R183 VanDerWaalsContact O-N 3.07Å; R183-I186 PolarHBondContact O-N 3.33Å; R183-I187 HydrophobicContact CG-CD1 3.89Å; R183-I187 HydrophobicContact CG-CG1 4.38Å; R183-I187 WeakPolarHBondContact O-CB 3.45Å; R183-I187 WeakPolarHBondContact O-CG1 3.48Å; R183-I187 PolarHBondContact O-N 2.86Å
184	Q	66.2	Low	63.8	Low	133 Å²	133	103 Å²	103	62%	0.621	51%	0.508	S	S	*	.	H	α-helix	trans	-49.6	-51.9	167.5	-155.3	173.3	15.6	0	0	115	P182 I186 I187 W188	P182-Q184 HydrophobicContact CB-CB 4.49Å; P182-Q184 CarbonylContact O-C 3.52Å; P182-Q184 PolarHBondContact O-N 3.26Å; Q184-I186 VanDerWaalsContact C-N 3.33Å; Q184-I186 PolarHBondContact O-N 3.49Å; Q184-I187 PolarHBondContact O-N 3.23Å; Q184-W188 WeakPolarHBondContact O-CB 3.28Å; Q184-W188 PolarHBondContact O-N 3.31Å
185	I	70.5	Confident	66.3	Low	77 Å²	77	95.6 Å²	95.6	40%	0.395	48%	0.482	S	S	.	.	H	α-helix	trans	-61	-40.4	177.5	-70.8	175.5	0	0	0	111.7	P182 W188 F189	P182-I185 HydrophobicContact CG-CB 4.36Å; P182-I185 HydrophobicContact CG-CD1 3.65Å; P182-I185 HydrophobicContact CG-CG1 3.79Å; P182-I185 PolarHBondContact O-N 2.89Å; I185-W188 PolarHBondContact O-N 2.84Å; I185-F189 WeakPolarHBondContact O-CB 3.15Å; I185-F189 PolarHBondContact O-N 2.87Å
186	I	73.9	Confident	68.5	Low	81 Å²	81	93.1 Å²	93.1	42%	0.415	46%	0.461	S	S	.	.	H	α-helix	trans	-65	-48.5	176.1	-60.8	173.3	0	0	0	109.4	R183 Q184 W188 F189 E190	R183-I186 PolarHBondContact O-N 3.33Å; Q184-I186 VanDerWaalsContact C-N 3.33Å; Q184-I186 PolarHBondContact O-N 3.49Å; I186-W188 VanDerWaalsContact C-N 3.29Å; I186-W188 PolarHBondContact O-N 3.44Å; I186-F189 WeakPolarHBondContact O-CB 3.08Å; I186-F189 PolarHBondContact O-N 3.39Å; I186-E190 HydrophobicContact CG2-CG 4.32Å; I186-E190 WeakPolarHBondContact O-CG 3.3Å; I186-E190 PolarHBondContact O-N 3.29Å
187	I	76.9	Confident	70.6	Confident	94 Å²	94	94.4 Å²	94.4	48%	0.482	46%	0.462	S	S	.	.	H	α-helix	trans	-56.8	-43.2	176.6	-69.3	164.7	0	0	0	111.1	R183 Q184 F189 E190 L191	R183-I187 HydrophobicContact CG-CD1 3.89Å; R183-I187 HydrophobicContact CG-CG1 4.38Å; R183-I187 WeakPolarHBondContact O-CB 3.45Å; R183-I187 WeakPolarHBondContact O-CG1 3.48Å; R183-I187 PolarHBondContact O-N 2.86Å; Q184-I187 PolarHBondContact O-N 3.23Å; I187-F189 VanDerWaalsContact C-N 3.32Å; I187-F189 PolarHBondContact O-N 2.76Å; I187-E190 PolarHBondContact O-N 2.9Å; I187-L191 VanDerWaalsContact O-CB 3.27Å; I187-L191 WeakPolarHBondContact O-CB 3.48Å; I187-L191 PolarHBondContact O-N 3.5Å
188	W	77	Confident	72.8	Confident	127 Å²	127	92.5 Å²	92.5	48%	0.481	45%	0.452	S	S	.	.	H	α-helix	trans	-62.7	-38.5	175.7	-84.1	108.9	0	0	0	112.4	Q184 I185 I186 F192 M285	Q184-W188 WeakPolarHBondContact O-CB 3.28Å; Q184-W188 PolarHBondContact O-N 3.31Å; I185-W188 PolarHBondContact O-N 2.84Å; I186-W188 VanDerWaalsContact C-N 3.29Å; I186-W188 PolarHBondContact O-N 3.44Å; W188-F192 VanDerWaalsContact O-CB 3.31Å; W188-F192 WeakPolarHBondContact O-CB 3.41Å; W188-F192 PolarHBondContact O-N 2.86Å; W188-M285 HydrophobicContact CE3-SD 4.16Å; W188-M285 HydrophobicContact CZ3-CG 4.19Å; W188-M285 HydrophobicContact CZ3-SD 3.83Å
189	F	77.4	Confident	75.2	Confident	100 Å²	100	87.9 Å²	87.9	44%	0.439	42%	0.42	S	S	.	.	H	α-helix	trans	-69.2	-45.1	177.9	-175.7	-104.9	0	0	0	112	I185 I186 I187 F192 I193	I185-F189 WeakPolarHBondContact O-CB 3.15Å; I185-F189 PolarHBondContact O-N 2.87Å; I186-F189 WeakPolarHBondContact O-CB 3.08Å; I186-F189 PolarHBondContact O-N 3.39Å; I187-F189 VanDerWaalsContact C-N 3.32Å; I187-F189 PolarHBondContact O-N 2.76Å; F189-F192 WeakPolarHBondContact O-CB 3.19Å; F189-F192 PolarHBondContact O-N 2.91Å; F189-I193 HydrophobicContact CD1-CD1 3.74Å; F189-I193 HydrophobicContact CE1-CD1 3.28Å; F189-I193 HydrophobicContact CE1-CG1 4.3Å; F189-I193 HydrophobicContact CE2-CD1 4.45Å; F189-I193 HydrophobicContact CZ-CD1 3.68Å; F189-I193 HydrophobicContact CZ-CG1 4.39Å; F189-I193 WeakPolarHBondContact O-CG1 3.46Å; F189-I193 PolarHBondContact O-N 3.49Å
190	E	80.5	Confident	77.1	Confident	95 Å²	95	86.4 Å²	86.4	44%	0.444	41%	0.411	S	S	.	.	H	α-helix	trans	-61.1	-44.8	174.4	-65.8	-56.3	150.5	0	0	111.3	I186 I187 F192 I193 I194	I186-E190 HydrophobicContact CG2-CG 4.32Å; I186-E190 WeakPolarHBondContact O-CG 3.3Å; I186-E190 PolarHBondContact O-N 3.29Å; I187-E190 PolarHBondContact O-N 2.9Å; E190-F192 VanDerWaalsContact C-N 3.31Å; E190-F192 PolarHBondContact O-N 3.44Å; E190-I193 PolarHBondContact O-N 2.89Å; E190-I194 VanDerWaalsContact O-CG1 3.29Å; E190-I194 WeakPolarHBondContact O-CG1 3.4Å; E190-I194 PolarHBondContact O-N 3.5Å
191	L	84.9	Confident	79.3	Confident	84 Å²	84	82.5 Å²	82.5	44%	0.44	40%	0.399	S	S	.	.	H	α-helix	trans	-59.8	-42.7	175.1	-177.3	66.8	0	0	0	111.4	I187 I194 L195	I187-L191 VanDerWaalsContact O-CB 3.27Å; I187-L191 WeakPolarHBondContact O-CB 3.48Å; I187-L191 PolarHBondContact O-N 3.5Å; L191-I194 PolarHBondContact O-N 3.32Å; L191-L195 VanDerWaalsContact O-CB 3.31Å; L191-L195 WeakPolarHBondContact O-CB 3.32Å; L191-L195 PolarHBondContact O-N 2.95Å
192	F	84.4	Confident	81.2	Confident	47 Å²	47	79.3 Å²	79.3	21%	0.206	38%	0.38	C	S	.	.	H	α-helix	trans	-60.5	-45.4	176.1	-173	-85.9	0	0	0	111	W188 F189 E190 L195 R196 L282 M285 V311	W188-F192 VanDerWaalsContact O-CB 3.31Å; W188-F192 WeakPolarHBondContact O-CB 3.41Å; W188-F192 PolarHBondContact O-N 2.86Å; F189-F192 WeakPolarHBondContact O-CB 3.19Å; F189-F192 PolarHBondContact O-N 2.91Å; E190-F192 VanDerWaalsContact C-N 3.31Å; E190-F192 PolarHBondContact O-N 3.44Å; F192-L195 PolarHBondContact O-N 2.68Å; F192-R196 HydrophobicContact CD1-CG 3.99Å; F192-R196 HydrophobicContact CE1-CG 3.91Å; F192-R196 WeakPolarHBondContact O-CB 3.27Å; F192-R196 WeakPolarHBondContact O-CG 3.5Å; F192-R196 PolarHBondContact O-N 3.44Å; F192-L282 HydrophobicContact CD2-CD2 4.15Å; F192-L282 HydrophobicContact CE2-CD2 3.98Å; F192-L282 HydrophobicContact CZ-CD2 4.36Å; F192-M285 HydrophobicContact CB-CE 4.36Å; F192-M285 HydrophobicContact CD2-CB 4.37Å; F192-M285 HydrophobicContact CD2-CE 3.7Å; F192-M285 HydrophobicContact CE2-CE 4.46Å; F192-M285 HydrophobicContact CG-CE 4.39Å; F192-V311 HydrophobicContact CZ-CG1 4.14Å
193	I	82.4	Confident	82.7	Confident	61 Å²	61	78.5 Å²	78.5	31%	0.313	37%	0.37	S	S	.	.	H	α-helix	trans	-63.2	-46	177.2	-69.4	171.1	0	0	0	111.4	F189 E190 L195 R196 L197	F189-I193 HydrophobicContact CD1-CD1 3.74Å; F189-I193 HydrophobicContact CE1-CD1 3.28Å; F189-I193 HydrophobicContact CE1-CG1 4.3Å; F189-I193 HydrophobicContact CE2-CD1 4.45Å; F189-I193 HydrophobicContact CZ-CD1 3.68Å; F189-I193 HydrophobicContact CZ-CG1 4.39Å; F189-I193 WeakPolarHBondContact O-CG1 3.46Å; F189-I193 PolarHBondContact O-N 3.49Å; E190-I193 PolarHBondContact O-N 2.89Å; I193-L195 VanDerWaalsContact C-N 3.33Å; I193-L195 PolarHBondContact O-N 2.73Å; I193-R196 VanDerWaalsContact O-CB 3.31Å; I193-R196 WeakPolarHBondContact O-CB 3.48Å; I193-R196 PolarHBondContact O-N 2.84Å; I193-L197 HydrophobicContact CG2-CD1 4.1Å; I193-L197 HydrophobicContact CG2-CG 4.43Å; I193-L197 WeakPolarHBondContact O-CG 3.42Å; I193-L197 PolarHBondContact O-N 3.27Å
194	I	88.5	Confident	83.6	Confident	89 Å²	89	72 Å²	72	46%	0.456	35%	0.35	S	S	.	.	H	α-helix	trans	-61	-46.1	179.9	-68.6	165.2	0	0	0	110.3	E190 L191 R196 L197 I198	E190-I194 VanDerWaalsContact O-CG1 3.29Å; E190-I194 WeakPolarHBondContact O-CG1 3.4Å; E190-I194 PolarHBondContact O-N 3.5Å; L191-I194 PolarHBondContact O-N 3.32Å; I194-R196 VanDerWaalsContact C-N 3.26Å; I194-R196 PolarHBondContact O-N 3.36Å; I194-L197 PolarHBondContact O-N 2.83Å; I194-L197 VanDerWaalsContact O-N 3.17Å; I194-I198 HydrophobicContact CG2-CD1 3.88Å; I194-I198 HydrophobicContact CG2-CG1 4.5Å; I194-I198 WeakPolarHBondContact O-CG1 3.48Å; I194-I198 PolarHBondContact O-N 2.86Å
195	L	89.6	Confident	84.7	Confident	31 Å²	31	68.2 Å²	68.2	16%	0.162	34%	0.337	C	S	.	.	H	α-helix	trans	-62.7	-35.4	179.2	-160.2	69	0	0	0	112.3	L191 F192 I193 S199 L278 T281 L282 M285	L191-L195 VanDerWaalsContact O-CB 3.31Å; L191-L195 WeakPolarHBondContact O-CB 3.32Å; L191-L195 PolarHBondContact O-N 2.95Å; F192-L195 PolarHBondContact O-N 2.68Å; I193-L195 VanDerWaalsContact C-N 3.33Å; I193-L195 PolarHBondContact O-N 2.73Å; L195-S199 WeakPolarHBondContact O-CB 3.41Å; L195-S199 PolarHBondContact O-N 3.29Å; L195-L278 HydrophobicContact CD1-CD2 3.22Å; L195-L278 HydrophobicContact CG-CD2 3.84Å; L195-T281 WeakPolarHBondContact CD2-OG1 3.43Å; L195-L282 HydrophobicContact CB-CD2 4.12Å; L195-L282 HydrophobicContact CD2-CD2 3.79Å; L195-L282 HydrophobicContact CD2-CG 3.89Å; L195-L282 HydrophobicContact CG-CD2 4.13Å; L195-L282 HydrophobicContact CG-CG 4.25Å; L195-M285 HydrophobicContact CD2-CE 3.45Å; L195-M285 VanDerWaalsContact CD2-CE 3.45Å
196	R	87.3	Confident	85.5	Confident	27 Å²	27	65.3 Å²	65.3	10%	0.102	32%	0.322	C	S	.	.	H	α-helix	trans	-63.1	-47.6	172.7	-70.3	-79	178	-164.9	-2.1	112.3	F192 I193 I194 I198 S199 I200 L282 D315	F192-R196 HydrophobicContact CD1-CG 3.99Å; F192-R196 HydrophobicContact CE1-CG 3.91Å; F192-R196 WeakPolarHBondContact O-CB 3.27Å; F192-R196 WeakPolarHBondContact O-CG 3.5Å; F192-R196 PolarHBondContact O-N 3.44Å; I193-R196 VanDerWaalsContact O-CB 3.31Å; I193-R196 WeakPolarHBondContact O-CB 3.48Å; I193-R196 PolarHBondContact O-N 2.84Å; I194-R196 VanDerWaalsContact C-N 3.26Å; I194-R196 PolarHBondContact O-N 3.36Å; R196-I198 VanDerWaalsContact C-N 3.33Å; R196-I198 PolarHBondContact O-N 3.34Å; R196-S199 WeakPolarHBondContact O-CB 3.45Å; R196-S199 PolarHBondContact O-N 2.93Å; R196-I200 VanDerWaalsContact O-CG1 3.31Å; R196-I200 WeakPolarHBondContact O-CG1 3.2Å; R196-I200 PolarHBondContact O-N 2.67Å; R196-L282 HydrophobicContact CG-CD2 4.01Å; R196-D315 IonicContact CZ-OD1 3.71Å; R196-D315 IonicContact CZ-OD2 2.99Å; R196-D315 IonicContact NH1-OD1 2.99Å; R196-D315 PolarHBondContact NH1-OD1 3.13Å; R196-D315 IonicContact NH1-OD2 2.7Å; R196-D315 IonicContact NH2-OD1 3.82Å; R196-D315 PolarHBondContact NH2-OD1 3.06Å; R196-D315 IonicContact NH2-OD2 3Å; R196-D315 PolarHBondContact NH2-OD2 2.91Å
197	L	87.4	Confident	86.1	Confident	98 Å²	98	63.9 Å²	63.9	51%	0.513	32%	0.315	S	S	.	.	H	α-helix	trans	-61.8	-44.1	178.8	-68.6	173.2	0	0	0	110.9	I193 I194 S199 I200 L201	I193-L197 HydrophobicContact CG2-CD1 4.1Å; I193-L197 HydrophobicContact CG2-CG 4.43Å; I193-L197 WeakPolarHBondContact O-CG 3.42Å; I193-L197 PolarHBondContact O-N 3.27Å; I194-L197 PolarHBondContact O-N 2.83Å; I194-L197 VanDerWaalsContact O-N 3.17Å; L197-S199 VanDerWaalsContact C-N 3.33Å; L197-S199 PolarHBondContact O-N 3.06Å; L197-I200 PolarHBondContact O-N 3.39Å; L197-L201 VanDerWaalsContact O-CG 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.06Å; L197-L201 PolarHBondContact O-N 2.92Å
198	I	91.2	Very high	86.6	Confident	72 Å²	72	62.5 Å²	62.5	37%	0.369	31%	0.308	S	S	.	.	H	α-helix	trans	-60.2	-45.3	175.3	-64.4	167.5	0	0	0	110.6	I194 R196 I200 L201 C202 L278	I194-I198 HydrophobicContact CG2-CD1 3.88Å; I194-I198 HydrophobicContact CG2-CG1 4.5Å; I194-I198 WeakPolarHBondContact O-CG1 3.48Å; I194-I198 PolarHBondContact O-N 2.86Å; R196-I198 VanDerWaalsContact C-N 3.33Å; R196-I198 PolarHBondContact O-N 3.34Å; I198-I200 VanDerWaalsContact C-N 3.35Å; I198-I200 PolarHBondContact O-N 3.46Å; I198-L201 PolarHBondContact O-N 3.43Å; I198-C202 PolarHBondContact O-N 3.28Å; I198-C202 PolarHBondContact O-SG 3.04Å; I198-L278 HydrophobicContact CG2-CD1 3.78Å; I198-L278 HydrophobicContact CG2-CD2 4.45Å
199	S	90.5	Very high	87.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-42.2	176.9	166.6	0	0	0	0	112.8	L195 R196 L197 C202 F203 Q279	L195-S199 WeakPolarHBondContact O-CB 3.41Å; L195-S199 PolarHBondContact O-N 3.29Å; R196-S199 WeakPolarHBondContact O-CB 3.45Å; R196-S199 PolarHBondContact O-N 2.93Å; L197-S199 VanDerWaalsContact C-N 3.33Å; L197-S199 PolarHBondContact O-N 3.06Å; S199-C202 PolarHBondContact O-N 2.93Å; S199-F203 PolarHBondContact O-N 3.43Å; S199-Q279 PolarHBondContact OG-NE2 3.27Å
200	I	88.6	Confident	87.5	Confident	67 Å²	67	54.5 Å²	54.5	34%	0.344	28%	0.282	S	S	.	.	H	α-helix	trans	-64.7	-45.3	177.9	-70.3	164.8	0	0	0	109.7	R196 L197 I198 C202 F203 I204	R196-I200 VanDerWaalsContact O-CG1 3.31Å; R196-I200 WeakPolarHBondContact O-CG1 3.2Å; R196-I200 PolarHBondContact O-N 2.67Å; L197-I200 PolarHBondContact O-N 3.39Å; I198-I200 VanDerWaalsContact C-N 3.35Å; I198-I200 PolarHBondContact O-N 3.46Å; I200-C202 PolarHBondContact O-N 3.07Å; I200-F203 PolarHBondContact O-N 3.47Å; I200-I204 HydrophobicContact CG2-CD1 3.7Å; I200-I204 HydrophobicContact CG2-CG1 4.38Å; I200-I204 WeakPolarHBondContact O-CB 3.33Å; I200-I204 VanDerWaalsContact O-CG1 3.25Å; I200-I204 WeakPolarHBondContact O-CG1 3.39Å; I200-I204 PolarHBondContact O-N 2.91Å
201	L	90.3	Very high	87.8	Confident	107 Å²	107	52.5 Å²	52.5	56%	0.56	27%	0.274	S	S	*	.	H	α-helix	trans	-61.3	-43.4	177	-69.5	170.4	0	0	0	111.9	L197 I198 F203 I204 C205	L197-L201 VanDerWaalsContact O-CG 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.06Å; L197-L201 PolarHBondContact O-N 2.92Å; I198-L201 PolarHBondContact O-N 3.43Å; L201-F203 VanDerWaalsContact C-N 3.34Å; L201-F203 PolarHBondContact O-N 3.2Å; L201-I204 PolarHBondContact O-N 3.47Å; L201-C205 PolarHBondContact O-N 2.89Å; L201-C205 PolarHBondContact O-SG 3.11Å
202	C	90.3	Very high	87.9	Confident	7 Å²	7	50.4 Å²	50.4	5%	0.047	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-44.6	176.1	-68.2	0	0	0	0	111.8	I198 S199 I200 C205 I206 F271 L274 L275	I198-C202 PolarHBondContact O-N 3.28Å; I198-C202 PolarHBondContact O-SG 3.04Å; S199-C202 PolarHBondContact O-N 2.93Å; I200-C202 PolarHBondContact O-N 3.07Å; C202-C205 PolarHBondContact O-N 3.02Å; C202-I206 WeakPolarHBondContact O-CG1 3.32Å; C202-I206 PolarHBondContact O-N 3.05Å; C202-I206 VanDerWaalsContact O-N 3.17Å; C202-F271 HydrophobicContact CB-CD1 4.37Å; C202-L274 VanDerWaalsContact SG-CD2 3.57Å; C202-L275 HydrophobicContact CB-CD1 4.4Å
203	F	89.3	Confident	88	Confident	46 Å²	46	51 Å²	51	20%	0.202	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-41.2	177.3	-179	-114.1	0	0	0	112.6	S199 I200 L201 C205 I206 I207 L275 M318 I321	S199-F203 PolarHBondContact O-N 3.43Å; I200-F203 PolarHBondContact O-N 3.47Å; L201-F203 VanDerWaalsContact C-N 3.34Å; L201-F203 PolarHBondContact O-N 3.2Å; F203-C205 VanDerWaalsContact C-N 3.34Å; F203-C205 PolarHBondContact O-N 3.16Å; F203-I206 PolarHBondContact O-N 3.35Å; F203-I207 HydrophobicContact CD1-CD1 4.07Å; F203-I207 HydrophobicContact CD2-CD1 4.05Å; F203-I207 HydrophobicContact CD2-CG1 4.45Å; F203-I207 HydrophobicContact CE1-CD1 3.43Å; F203-I207 VanDerWaalsContact CE1-CD1 3.43Å; F203-I207 HydrophobicContact CE2-CD1 3.4Å; F203-I207 VanDerWaalsContact CE2-CD1 3.4Å; F203-I207 HydrophobicContact CE2-CG1 4.18Å; F203-I207 HydrophobicContact CG-CD1 4.37Å; F203-I207 HydrophobicContact CZ-CD1 3.08Å; F203-I207 HydrophobicContact CZ-CG1 4.26Å; F203-I207 PolarHBondContact O-N 3.1Å; F203-L275 HydrophobicContact CB-CD1 4.48Å; F203-L275 HydrophobicContact CB-CD2 4.27Å; F203-L275 HydrophobicContact CD2-CD2 4.01Å; F203-M318 HydrophobicContact CB-CE 3.61Å; F203-M318 HydrophobicContact CD1-CE 3.66Å; F203-M318 HydrophobicContact CD2-CE 3.28Å; F203-M318 HydrophobicContact CD2-SD 4.33Å; F203-M318 HydrophobicContact CE1-CE 3.99Å; F203-M318 HydrophobicContact CE1-SD 4.28Å; F203-M318 HydrophobicContact CE2-CE 3.64Å; F203-M318 HydrophobicContact CE2-SD 4.09Å; F203-M318 HydrophobicContact CG-CE 3.25Å; F203-M318 HydrophobicContact CG-SD 4.49Å; F203-M318 HydrophobicContact CZ-CE 3.95Å; F203-M318 HydrophobicContact CZ-SD 4.03Å; F203-I321 HydrophobicContact CE2-CG2 4.06Å
204	I	88.1	Confident	88.2	Confident	70 Å²	70	48.9 Å²	48.9	36%	0.359	26%	0.257	S	S	.	.	H	α-helix	trans	-59	-45.6	174.6	-73.3	170.5	0	0	0	110.3	I200 L201 I206 I207 I208	I200-I204 HydrophobicContact CG2-CD1 3.7Å; I200-I204 HydrophobicContact CG2-CG1 4.38Å; I200-I204 WeakPolarHBondContact O-CB 3.33Å; I200-I204 VanDerWaalsContact O-CG1 3.25Å; I200-I204 WeakPolarHBondContact O-CG1 3.39Å; I200-I204 PolarHBondContact O-N 2.91Å; L201-I204 PolarHBondContact O-N 3.47Å; I204-I206 VanDerWaalsContact C-N 3.3Å; I204-I206 PolarHBondContact O-N 3.23Å; I204-I207 PolarHBondContact O-N 3.18Å; I204-I208 HydrophobicContact CG2-CD1 3.23Å; I204-I208 HydrophobicContact CG2-CG1 3.78Å; I204-I208 WeakPolarHBondContact O-CB 3.46Å; I204-I208 VanDerWaalsContact O-CG1 3.24Å; I204-I208 WeakPolarHBondContact O-CG1 3.49Å; I204-I208 PolarHBondContact O-N 2.92Å
205	C	89.6	Confident	88.2	Confident	52 Å²	52	45.8 Å²	45.8	35%	0.351	24%	0.241	S	C	.	.	H	α-helix	trans	-58.8	-39	176.3	-68.2	0	0	0	0	113	L201 C202 F203 F271	L201-C205 PolarHBondContact O-N 2.89Å; L201-C205 PolarHBondContact O-SG 3.11Å; C202-C205 PolarHBondContact O-N 3.02Å; F203-C205 VanDerWaalsContact C-N 3.34Å; F203-C205 PolarHBondContact O-N 3.16Å; C205-F271 HydrophobicContact CB-CD1 4.1Å; C205-F271 HydrophobicContact CB-CE1 4.01Å
206	I	87.3	Confident	88.1	Confident	16 Å²	16	44.7 Å²	44.7	8%	0.082	24%	0.236	C	C	.	.	H	α-helix	trans	-69.2	-37.1	178.7	-66	161.5	0	0	0	111.6	C202 F203 I204 P210 F271 L275 I325	C202-I206 WeakPolarHBondContact O-CG1 3.32Å; C202-I206 PolarHBondContact O-N 3.05Å; C202-I206 VanDerWaalsContact O-N 3.17Å; F203-I206 PolarHBondContact O-N 3.35Å; I204-I206 VanDerWaalsContact C-N 3.3Å; I204-I206 PolarHBondContact O-N 3.23Å; I206-P210 WeakPolarHBondContact O-CD 3.5Å; I206-F271 HydrophobicContact CD1-CB 4.17Å; I206-F271 HydrophobicContact CG1-CB 3.91Å; I206-L275 HydrophobicContact CD1-CB 4.37Å; I206-L275 HydrophobicContact CD1-CD2 3.87Å; I206-I325 HydrophobicContact CG2-CD1 4.04Å
207	I	86.7	Confident	88	Confident	52 Å²	52	47.9 Å²	47.9	27%	0.267	25%	0.251	S	S	.	.	H	α-helix	trans	-90.3	-31.2	-173.8	-72.7	-170.8	0	0	0	113.6	F203 I204 S209 P210 I211	F203-I207 HydrophobicContact CD1-CD1 4.07Å; F203-I207 HydrophobicContact CD2-CD1 4.05Å; F203-I207 HydrophobicContact CD2-CG1 4.45Å; F203-I207 HydrophobicContact CE1-CD1 3.43Å; F203-I207 VanDerWaalsContact CE1-CD1 3.43Å; F203-I207 HydrophobicContact CE2-CD1 3.4Å; F203-I207 VanDerWaalsContact CE2-CD1 3.4Å; F203-I207 HydrophobicContact CE2-CG1 4.18Å; F203-I207 HydrophobicContact CG-CD1 4.37Å; F203-I207 HydrophobicContact CZ-CD1 3.08Å; F203-I207 HydrophobicContact CZ-CG1 4.26Å; F203-I207 PolarHBondContact O-N 3.1Å; I204-I207 PolarHBondContact O-N 3.18Å; I207-S209 VanDerWaalsContact C-N 3.3Å; I207-S209 PolarHBondContact O-N 3.38Å; I207-P210 WeakPolarHBondContact O-CD 3.39Å; I207-P210 VanDerWaalsContact O-CG 3.26Å; I207-P210 WeakPolarHBondContact O-CG 3.37Å; I207-I211 HydrophobicContact CG2-CD1 3.27Å; I207-I211 HydrophobicContact CG2-CG1 3.83Å; I207-I211 WeakPolarHBondContact O-CB 3.48Å; I207-I211 WeakPolarHBondContact O-CG1 3.47Å; I207-I211 PolarHBondContact O-N 3.46Å; I207-I211 VanDerWaalsContact O-N 3.17Å
208	I	88.2	Confident	87.9	Confident	64 Å²	64	43.8 Å²	43.8	33%	0.328	23%	0.229	S	C	.	.	H	α-helix	trans	-56.9	-45.2	-178.5	-81.9	178.6	0	0	0	111.1	I204 I211 L212 F261	I204-I208 HydrophobicContact CG2-CD1 3.23Å; I204-I208 HydrophobicContact CG2-CG1 3.78Å; I204-I208 WeakPolarHBondContact O-CB 3.46Å; I204-I208 VanDerWaalsContact O-CG1 3.24Å; I204-I208 WeakPolarHBondContact O-CG1 3.49Å; I204-I208 PolarHBondContact O-N 2.92Å; I208-I211 PolarHBondContact O-N 3.31Å; I208-L212 HydrophobicContact CG2-CD1 3.52Å; I208-L212 HydrophobicContact CG2-CG 4.1Å; I208-L212 WeakPolarHBondContact O-CB 3.17Å; I208-L212 WeakPolarHBondContact O-CG 3.38Å; I208-L212 PolarHBondContact O-N 3.5Å; I208-F261 HydrophobicContact CG2-CB 4.01Å; I208-F261 HydrophobicContact CG2-CG 4.3Å
209	S	86.7	Confident	87.7	Confident	4 Å²	4	40.7 Å²	40.7	3%	0.028	21%	0.213	C	C	.	.	H	α-helix	trans	-57.6	-57.4	-178.1	177.8	0	0	0	0	113	I207 I211 L212 I213 F261	I207-S209 VanDerWaalsContact C-N 3.3Å; I207-S209 PolarHBondContact O-N 3.38Å; S209-I211 VanDerWaalsContact C-N 3.3Å; S209-I211 PolarHBondContact O-N 2.96Å; S209-L212 PolarHBondContact O-N 3.26Å; S209-I213 WeakPolarHBondContact O-CD1 3.18Å; S209-I213 VanDerWaalsContact O-CG1 3.26Å; S209-I213 WeakPolarHBondContact O-CG1 3.39Å; S209-I213 PolarHBondContact O-N 3.48Å; S209-F261 WeakPolarHBondContact CB-O 3.45Å
210	P	85.5	Confident	87.5	Confident	55 Å²	55	42.4 Å²	42.4	36%	0.357	23%	0.225	S	C	.	.	H	α-helix	trans	-63.9	-33.6	179.2	22.7	-32.8	0	0	0	113	I206 I207 E214 L231	I206-P210 WeakPolarHBondContact O-CD 3.5Å; I207-P210 WeakPolarHBondContact O-CD 3.39Å; I207-P210 VanDerWaalsContact O-CG 3.26Å; I207-P210 WeakPolarHBondContact O-CG 3.37Å; P210-E214 WeakPolarHBondContact O-CB 3.41Å; P210-E214 PolarHBondContact O-N 2.97Å; P210-L231 HydrophobicContact CB-CD2 4.28Å
211	I	87	Confident	87.1	Confident	54 Å²	54	44.7 Å²	44.7	28%	0.277	24%	0.237	S	C	.	.	H	α-helix	trans	-64.3	-50.9	175.8	-71.4	-177.1	0	0	0	110.9	I207 I208 S209 I213 E214 I215 L231 I235	I207-I211 HydrophobicContact CG2-CD1 3.27Å; I207-I211 HydrophobicContact CG2-CG1 3.83Å; I207-I211 WeakPolarHBondContact O-CB 3.48Å; I207-I211 WeakPolarHBondContact O-CG1 3.47Å; I207-I211 PolarHBondContact O-N 3.46Å; I207-I211 VanDerWaalsContact O-N 3.17Å; I208-I211 PolarHBondContact O-N 3.31Å; S209-I211 VanDerWaalsContact C-N 3.3Å; S209-I211 PolarHBondContact O-N 2.96Å; I211-I213 VanDerWaalsContact C-N 3.31Å; I211-I213 PolarHBondContact O-N 3.45Å; I211-E214 PolarHBondContact O-N 3.44Å; I211-I215 HydrophobicContact CG2-CD1 3.64Å; I211-I215 HydrophobicContact CG2-CG1 4.26Å; I211-I215 WeakPolarHBondContact O-CG1 3.32Å; I211-I215 PolarHBondContact O-N 2.91Å; I211-L231 HydrophobicContact CG1-CD1 4.25Å; I211-I235 HydrophobicContact CG2-CD1 4.5Å
212	L	87.4	Confident	86.3	Confident	40 Å²	40	45.8 Å²	45.8	21%	0.209	24%	0.242	C	C	.	.	H	α-helix	trans	-64.2	-37.7	-178.9	-73.6	176.6	0	0	0	111.8	I208 S209 I215 S216 F261	I208-L212 HydrophobicContact CG2-CD1 3.52Å; I208-L212 HydrophobicContact CG2-CG 4.1Å; I208-L212 WeakPolarHBondContact O-CB 3.17Å; I208-L212 WeakPolarHBondContact O-CG 3.38Å; I208-L212 PolarHBondContact O-N 3.5Å; S209-L212 PolarHBondContact O-N 3.26Å; L212-I215 PolarHBondContact O-N 3.49Å; L212-S216 WeakPolarHBondContact O-CB 3.36Å; L212-S216 PolarHBondContact O-N 3.31Å; L212-S216 PolarHBondContact O-OG 2.91Å; L212-F261 HydrophobicContact CD1-CB 3.79Å; L212-F261 HydrophobicContact CD1-CD2 3.74Å; L212-F261 HydrophobicContact CD1-CG 4.06Å
213	I	86.3	Confident	85.2	Confident	58 Å²	58	49.2 Å²	49.2	30%	0.297	26%	0.255	S	S	.	.	H	α-helix	trans	-61.1	-46.9	174	-69.6	166.1	0	0	0	110.1	S209 I211 S216 K217	S209-I213 WeakPolarHBondContact O-CD1 3.18Å; S209-I213 VanDerWaalsContact O-CG1 3.26Å; S209-I213 WeakPolarHBondContact O-CG1 3.39Å; S209-I213 PolarHBondContact O-N 3.48Å; I211-I213 VanDerWaalsContact C-N 3.31Å; I211-I213 PolarHBondContact O-N 3.45Å; I213-S216 PolarHBondContact O-N 3.18Å; I213-S216 PolarHBondContact O-OG 3.3Å; I213-K217 HydrophobicContact CG2-CD 4.34Å; I213-K217 WeakPolarHBondContact O-CG 3.32Å; I213-K217 PolarHBondContact O-N 3.48Å
214	E	86.8	Confident	84	Confident	17 Å²	17	53.1 Å²	53.1	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-69.1	-38.4	-179.4	-171.8	62.4	-156.1	0	0	112.5	P210 I211 S216 K217 Q218 L231 Y232 I235	P210-E214 WeakPolarHBondContact O-CB 3.41Å; P210-E214 PolarHBondContact O-N 2.97Å; I211-E214 PolarHBondContact O-N 3.44Å; E214-S216 VanDerWaalsContact C-N 3.35Å; E214-S216 PolarHBondContact O-N 3.42Å; E214-K217 PolarHBondContact O-N 3.15Å; E214-Q218 WeakPolarHBondContact O-CG 3.4Å; E214-Q218 PolarHBondContact O-N 2.94Å; E214-L231 HydrophobicContact CB-CD2 3.74Å; E214-L231 HydrophobicContact CB-CG 4.14Å; E214-L231 HydrophobicContact CG-CD2 4.08Å; E214-L231 HydrophobicContact CG-CG 4.03Å; E214-Y232 WeakPolarHBondContact OE1-CB 3.34Å; E214-Y232 WeakPolarHBondContact OE1-CD2 3.34Å; E214-I235 HydrophobicContact CB-CD1 3.5Å; E214-I235 VanDerWaalsContact CB-CD1 3.5Å; E214-I235 HydrophobicContact CG-CD1 3.46Å; E214-I235 VanDerWaalsContact CG-CD1 3.46Å
215	I	87.4	Confident	83	Confident	25 Å²	25	53.7 Å²	53.7	13%	0.128	29%	0.288	C	S	.	.	H	α-helix	trans	-58.7	-48.9	171.3	-68.4	170.9	0	0	0	109.7	I211 L212 K217 Q218 T219 I235 W239 I254	I211-I215 HydrophobicContact CG2-CD1 3.64Å; I211-I215 HydrophobicContact CG2-CG1 4.26Å; I211-I215 WeakPolarHBondContact O-CG1 3.32Å; I211-I215 PolarHBondContact O-N 2.91Å; L212-I215 PolarHBondContact O-N 3.49Å; I215-K217 VanDerWaalsContact C-N 3.29Å; I215-K217 PolarHBondContact O-N 3.42Å; I215-Q218 PolarHBondContact O-N 3.36Å; I215-Q218 VanDerWaalsContact O-N 3.09Å; I215-T219 HydrophobicContact CG2-CG2 4.25Å; I215-T219 WeakPolarHBondContact O-CG2 3.39Å; I215-T219 PolarHBondContact O-N 2.9Å; I215-T219 PolarHBondContact O-OG1 2.85Å; I215-T219 VanDerWaalsContact O-OG1 3.06Å; I215-I235 HydrophobicContact CG1-CD1 4.01Å; I215-I235 HydrophobicContact CG1-CG1 4.41Å; I215-I235 HydrophobicContact CG1-CG2 3.92Å; I215-W239 HydrophobicContact CG2-CZ2 4.42Å; I215-I254 HydrophobicContact CG2-CG2 4.15Å
216	S	88.4	Confident	82.2	Confident	7 Å²	7	61.1 Å²	61.1	5%	0.049	32%	0.315	C	S	.	.	H	α-helix	trans	-59.5	-40.2	179.5	75	0	0	0	0	112	L212 I213 E214 T219 C220	L212-S216 WeakPolarHBondContact O-CB 3.36Å; L212-S216 PolarHBondContact O-N 3.31Å; L212-S216 PolarHBondContact O-OG 2.91Å; I213-S216 PolarHBondContact O-N 3.18Å; I213-S216 PolarHBondContact O-OG 3.3Å; E214-S216 VanDerWaalsContact C-N 3.35Å; E214-S216 PolarHBondContact O-N 3.42Å; S216-T219 WeakPolarHBondContact CA-OG1 3.36Å; S216-T219 PolarHBondContact O-N 2.87Å; S216-T219 PolarHBondContact O-OG1 3.38Å; S216-T219 VanDerWaalsContact O-OG1 3.13Å; S216-C220 WeakPolarHBondContact O-CB 3.31Å; S216-C220 PolarHBondContact O-N 2.91Å; S216-C220 PolarHBondContact O-SG 3.45Å; S216-C220 VanDerWaalsContact O-SG 3.36Å
217	K	85.4	Confident	81.8	Confident	95 Å²	95	67.2 Å²	67.2	41%	0.413	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-44.6	174.4	-73.1	174.8	-178.3	176.7	0	111.5	I213 E214 I215 T219 L221	I213-K217 HydrophobicContact CG2-CD 4.34Å; I213-K217 WeakPolarHBondContact O-CG 3.32Å; I213-K217 PolarHBondContact O-N 3.48Å; E214-K217 PolarHBondContact O-N 3.15Å; I215-K217 VanDerWaalsContact C-N 3.29Å; I215-K217 PolarHBondContact O-N 3.42Å; K217-T219 PolarHBondContact O-N 3.24Å; K217-L221 HydrophobicContact CG-CD1 4.4Å; K217-L221 WeakPolarHBondContact O-CA 3.21Å; K217-L221 VanDerWaalsContact O-CB 3.3Å; K217-L221 WeakPolarHBondContact O-CB 3.32Å; K217-L221 PolarHBondContact O-N 3.36Å
218	Q	85.9	Confident	81.4	Confident	12 Å²	12	68.5 Å²	68.5	6%	0.056	35%	0.351	C	S	.	.	H	α-helix	trans	-70.4	-28	-179.3	-70	-171	23.8	0	0	114	E214 I215 Y232	E214-Q218 WeakPolarHBondContact O-CG 3.4Å; E214-Q218 PolarHBondContact O-N 2.94Å; I215-Q218 PolarHBondContact O-N 3.36Å; I215-Q218 VanDerWaalsContact O-N 3.09Å; Q218-Y232 HydrophobicContact CG-CD2 3.82Å; Q218-Y232 HydrophobicContact CG-CE2 3.67Å; Q218-Y232 VanDerWaalsContact NE2-CA 3.32Å; Q218-Y232 PolarHBondContact NE2-O 2.72Å
219	T	85.7	Confident	81.1	Confident	6 Å²	6	67.7 Å²	67.7	4%	0.037	35%	0.352	C	S	.	.	H	α-helix	trans	-86.5	-39.8	178.3	53.5	0	0	0	0	112.5	I215 S216 K217 I254	I215-T219 HydrophobicContact CG2-CG2 4.25Å; I215-T219 WeakPolarHBondContact O-CG2 3.39Å; I215-T219 PolarHBondContact O-N 2.9Å; I215-T219 PolarHBondContact O-OG1 2.85Å; I215-T219 VanDerWaalsContact O-OG1 3.06Å; S216-T219 WeakPolarHBondContact CA-OG1 3.36Å; S216-T219 PolarHBondContact O-N 2.87Å; S216-T219 PolarHBondContact O-OG1 3.38Å; S216-T219 VanDerWaalsContact O-OG1 3.13Å; K217-T219 PolarHBondContact O-N 3.24Å; T219-I254 HydrophobicContact CG2-CD1 4.28Å
220	C	85.7	Confident	80.7	Confident	36 Å²	36	77.2 Å²	77.2	24%	0.243	39%	0.388	C	S	.	.	H	α-helix	trans	-91.8	-33	-172.6	-64.6	0	0	0	0	113.8	S216 C251	S216-C220 WeakPolarHBondContact O-CB 3.31Å; S216-C220 PolarHBondContact O-N 2.91Å; S216-C220 PolarHBondContact O-SG 3.45Å; S216-C220 VanDerWaalsContact O-SG 3.36Å; C220-C251 WeakPolarHBondContact CA-SG 3.42Å; C220-C251 HydrophobicContact CB-CB 4.22Å; C220-C251 WeakPolarHBondContact CB-SG 2.99Å; C220-C251 VanDerWaalsContact SG-CA 3.56Å; C220-C251 WeakPolarHBondContact SG-CB 3.27Å; C220-C251 PolarHBondContact SG-O 3.46Å; C220-C251 VanDerWaalsContact SG-O 3.38Å; C220-C251 CovalentContact SG-SG 2.03Å; C220-C251 PolarHBondContact SG-SG 3.01Å
221	L	81.1	Confident	80.6	Confident	115 Å²	115	77 Å²	77	60%	0.602	38%	0.384	S	S	*	.	S	Bend	trans	-106.4	140.8	-177.2	-58.1	171.9	0	0	0	110.8	K217 Y223	K217-L221 HydrophobicContact CG-CD1 4.4Å; K217-L221 WeakPolarHBondContact O-CA 3.21Å; K217-L221 VanDerWaalsContact O-CB 3.3Å; K217-L221 WeakPolarHBondContact O-CB 3.32Å; K217-L221 PolarHBondContact O-N 3.36Å; L221-Y223 PolarHBondContact O-N 2.84Å
222	I	74.1	Confident	80.4	Confident	130 Å²	130	74.9 Å²	74.9	67%	0.667	37%	0.373	S	S	*	.			trans	-75.3	110.5	167.3	-60.6	173.3	0	0	0	106.8	V224	I222-V224 HydrophobicContact CG2-CG2 4.23Å; I222-V224 PolarHBondContact O-N 3.31Å
223	Y	67.6	Low	80.3	Confident	80 Å²	80	78.3 Å²	78.3	31%	0.314	39%	0.386	S	S	.	.			trans	-73.9	108.9	-179.9	-155	-92.1	0	0	0	110.1	L221 T225 N227 K228 Y232	L221-Y223 PolarHBondContact O-N 2.84Å; Y223-T225 WeakPolarHBondContact CE1-O 3.38Å; Y223-T225 WeakPolarHBondContact CE1-OG1 3.24Å; Y223-T225 PolarHBondContact OH-OG1 3.45Å; Y223-N227 PolarHBondContact OH-O 2.91Å; Y223-N227 VanDerWaalsContact OH-O 3.1Å; Y223-K228 HydrophobicContact CE1-CG 4.02Å; Y223-Y232 HydrophobicContact CD1-CD2 4.43Å; Y223-Y232 AromaticContact CD1-CE2 3.8Å; Y223-Y232 HydrophobicContact CD1-CE2 3.8Å; Y223-Y232 AromaticContact CD2-CD2 3.99Å; Y223-Y232 HydrophobicContact CD2-CD2 3.99Å; Y223-Y232 AromaticContact CD2-CE2 3.61Å; Y223-Y232 HydrophobicContact CD2-CE2 3.61Å; Y223-Y232 HydrophobicContact CE1-CD2 4.24Å; Y223-Y232 HydrophobicContact CE1-CE2 4.07Å; Y223-Y232 AromaticContact CE2-CD2 3.8Å; Y223-Y232 HydrophobicContact CE2-CD2 3.8Å; Y223-Y232 AromaticContact CE2-CE2 3.9Å; Y223-Y232 HydrophobicContact CE2-CE2 3.9Å; Y223-Y232 HydrophobicContact CG-CD2 4.3Å; Y223-Y232 AromaticContact CG-CE2 3.56Å; Y223-Y232 HydrophobicContact CG-CE2 3.56Å; Y223-Y232 AromaticContact CZ-CD2 3.95Å
224	V	64.2	Low	80.2	Confident	128 Å²	128	79.8 Å²	79.8	78%	0.776	39%	0.394	S	S	*	.			trans	-99.6	-11	-178.8	-177.8	0	0	0	0	112.5	I222	I222-V224 HydrophobicContact CG2-CG2 4.23Å; I222-V224 PolarHBondContact O-N 3.31Å
225	T	66.7	Low	80.1	Confident	81 Å²	81	79.5 Å²	79.5	50%	0.497	39%	0.393	S	S	.	.			trans	-83.5	138.9	-171.3	66.7	0	0	0	0	112.8	Y223 N227	Y223-T225 WeakPolarHBondContact CE1-O 3.38Å; Y223-T225 WeakPolarHBondContact CE1-OG1 3.24Å; Y223-T225 PolarHBondContact OH-OG1 3.45Å; T225-N227 VanDerWaalsContact C-N 3.33Å
226	K	72.6	Confident	80	Confident	209 Å²	209	81.3 Å²	81.3	91%	0.909	40%	0.401	S	S	*	.	S	Bend	trans	-68.9	-28.7	176.8	-70.5	-174.9	178.4	179.9	0	112.9	K228	K226-K228 PolarHBondContact O-N 3.32Å
227	N	78	Confident	79.9	Confident	144 Å²	144	87.8 Å²	87.8	77%	0.77	43%	0.434	S	S	*	.			trans	-90.1	93.2	-180	-76.8	-7.9	0	0	0	110.9	Y223 T225	Y223-N227 PolarHBondContact OH-O 2.91Å; Y223-N227 VanDerWaalsContact OH-O 3.1Å; T225-N227 VanDerWaalsContact C-N 3.33Å
228	K	79.3	Confident	79.7	Confident	78 Å²	78	91.4 Å²	91.4	34%	0.339	45%	0.45	S	S	.	.			trans	-77.4	129.2	170.8	-68.9	175.6	167	-166.7	0	110.2	Y223 K226 Y232 K233 E236	Y223-K228 HydrophobicContact CE1-CG 4.02Å; K226-K228 PolarHBondContact O-N 3.32Å; K228-Y232 HydrophobicContact CB-CD1 3.74Å; K228-Y232 HydrophobicContact CB-CE1 4.35Å; K228-Y232 HydrophobicContact CB-CG 4.09Å; K228-Y232 HydrophobicContact CD-CD1 3.54Å; K228-Y232 HydrophobicContact CD-CE1 3.33Å; K228-Y232 HydrophobicContact CG-CD1 3.61Å; K228-Y232 HydrophobicContact CG-CE1 3.7Å; K228-Y232 HydrophobicContact CG-CG 4.16Å; K228-K233 HydrophobicContact CB-CG 4.23Å; K228-E236 VanDerWaalsContact NZ-CD 3.32Å; K228-E236 IonicContact NZ-OE1 2.82Å; K228-E236 PolarHBondContact NZ-OE1 3.45Å; K228-E236 IonicContact NZ-OE2 2.66Å; K228-E236 PolarHBondContact NZ-OE2 3.47Å
229	S	80.4	Confident	79.5	Confident	48 Å²	48	94 Å²	94	34%	0.336	46%	0.459	S	S	.	.			trans	-64.7	162	174	74.2	0	0	0	0	111.6	L231 Y232 K233	S229-L231 VanDerWaalsContact C-N 3.27Å; S229-L231 PolarHBondContact O-N 3.32Å; S229-Y232 WeakPolarHBondContact O-CB 3.5Å; S229-Y232 PolarHBondContact O-N 3.2Å; S229-Y232 WeakPolarHBondContact OG-CB 3.44Å; S229-Y232 PolarHBondContact OG-N 3.04Å; S229-K233 PolarHBondContact O-N 3.25Å; S229-K233 VanDerWaalsContact O-N 3.14Å
230	Y	80	Confident	79.4	Confident	203 Å²	203	96.5 Å²	96.5	80%	0.796	48%	0.477	S	S	*	.	H	α-helix	trans	-60.9	-39.1	173	-70.2	-74	0	0	0	111.8	Y232 K233 L234	Y230-Y232 VanDerWaalsContact C-N 3.32Å; Y230-Y232 PolarHBondContact O-N 3.43Å; Y230-K233 PolarHBondContact O-N 3.47Å; Y230-L234 WeakPolarHBondContact O-CB 3.49Å; Y230-L234 PolarHBondContact O-N 2.95Å
231	L	82.6	Confident	79.3	Confident	52 Å²	52	98.1 Å²	98.1	27%	0.272	49%	0.489	S	S	.	.	H	α-helix	trans	-65	-37.6	176.4	-171.1	64.1	0	0	0	111.4	P210 I211 E214 S229 K233 L234 I235	P210-L231 HydrophobicContact CB-CD2 4.28Å; I211-L231 HydrophobicContact CG1-CD1 4.25Å; E214-L231 HydrophobicContact CB-CD2 3.74Å; E214-L231 HydrophobicContact CB-CG 4.14Å; E214-L231 HydrophobicContact CG-CD2 4.08Å; E214-L231 HydrophobicContact CG-CG 4.03Å; S229-L231 VanDerWaalsContact C-N 3.27Å; S229-L231 PolarHBondContact O-N 3.32Å; L231-K233 PolarHBondContact O-N 3.31Å; L231-L234 HydrophobicContact CD1-CD2 4.35Å; L231-L234 PolarHBondContact O-N 3Å; L231-I235 HydrophobicContact CD1-CD1 4.3Å; L231-I235 HydrophobicContact CG-CD1 4Å; L231-I235 WeakPolarHBondContact O-CG1 3.45Å; L231-I235 PolarHBondContact O-N 3.46Å
232	Y	83.9	Confident	79.5	Confident	9 Å²	9	98.6 Å²	98.6	4%	0.035	49%	0.492	C	S	.	.	H	α-helix	trans	-58	-51.6	174.5	-179.7	-73.1	0	0	0	110.8	E214 Q218 Y223 K228 S229 Y230 L234 I235 E236	E214-Y232 WeakPolarHBondContact OE1-CB 3.34Å; E214-Y232 WeakPolarHBondContact OE1-CD2 3.34Å; Q218-Y232 HydrophobicContact CG-CD2 3.82Å; Q218-Y232 HydrophobicContact CG-CE2 3.67Å; Q218-Y232 VanDerWaalsContact NE2-CA 3.32Å; Q218-Y232 PolarHBondContact NE2-O 2.72Å; Y223-Y232 HydrophobicContact CD1-CD2 4.43Å; Y223-Y232 AromaticContact CD1-CE2 3.8Å; Y223-Y232 HydrophobicContact CD1-CE2 3.8Å; Y223-Y232 AromaticContact CD2-CD2 3.99Å; Y223-Y232 HydrophobicContact CD2-CD2 3.99Å; Y223-Y232 AromaticContact CD2-CE2 3.61Å; Y223-Y232 HydrophobicContact CD2-CE2 3.61Å; Y223-Y232 HydrophobicContact CE1-CD2 4.24Å; Y223-Y232 HydrophobicContact CE1-CE2 4.07Å; Y223-Y232 AromaticContact CE2-CD2 3.8Å; Y223-Y232 HydrophobicContact CE2-CD2 3.8Å; Y223-Y232 AromaticContact CE2-CE2 3.9Å; Y223-Y232 HydrophobicContact CE2-CE2 3.9Å; Y223-Y232 HydrophobicContact CG-CD2 4.3Å; Y223-Y232 AromaticContact CG-CE2 3.56Å; Y223-Y232 HydrophobicContact CG-CE2 3.56Å; Y223-Y232 AromaticContact CZ-CD2 3.95Å; K228-Y232 HydrophobicContact CB-CD1 3.74Å; K228-Y232 HydrophobicContact CB-CE1 4.35Å; K228-Y232 HydrophobicContact CB-CG 4.09Å; K228-Y232 HydrophobicContact CD-CD1 3.54Å; K228-Y232 HydrophobicContact CD-CE1 3.33Å; K228-Y232 HydrophobicContact CG-CD1 3.61Å; K228-Y232 HydrophobicContact CG-CE1 3.7Å; K228-Y232 HydrophobicContact CG-CG 4.16Å; S229-Y232 WeakPolarHBondContact O-CB 3.5Å; S229-Y232 PolarHBondContact O-N 3.2Å; S229-Y232 WeakPolarHBondContact OG-CB 3.44Å; S229-Y232 PolarHBondContact OG-N 3.04Å; Y230-Y232 VanDerWaalsContact C-N 3.32Å; Y230-Y232 PolarHBondContact O-N 3.43Å; Y232-L234 VanDerWaalsContact C-N 3.31Å; Y232-L234 PolarHBondContact O-N 3.46Å; Y232-I235 PolarHBondContact O-N 3.09Å; Y232-E236 HydrophobicContact CE1-CB 4.38Å; Y232-E236 WeakPolarHBondContact CE1-OE2 3.14Å; Y232-E236 WeakPolarHBondContact O-CB 3.44Å; Y232-E236 PolarHBondContact O-N 3.45Å
233	K	85.1	Confident	80.1	Confident	112 Å²	112	94.2 Å²	94.2	49%	0.487	47%	0.472	S	S	.	.	H	α-helix	trans	-63.4	-38	-179.7	-67.7	179.5	-177.5	178.9	0	111.8	K228 S229 Y230 L231 E236 L237	K228-K233 HydrophobicContact CB-CG 4.23Å; S229-K233 PolarHBondContact O-N 3.25Å; S229-K233 VanDerWaalsContact O-N 3.14Å; Y230-K233 PolarHBondContact O-N 3.47Å; L231-K233 PolarHBondContact O-N 3.31Å; K233-E236 PolarHBondContact O-N 2.89Å; K233-L237 PolarHBondContact O-N 3.31Å
234	L	83.9	Confident	80.9	Confident	88 Å²	88	93.2 Å²	93.2	46%	0.461	47%	0.468	S	S	.	.	H	α-helix	trans	-62.4	-47	175.8	-176	69	0	0	0	111.3	Y230 L231 Y232 E236 L237 F238	Y230-L234 WeakPolarHBondContact O-CB 3.49Å; Y230-L234 PolarHBondContact O-N 2.95Å; L231-L234 HydrophobicContact CD1-CD2 4.35Å; L231-L234 PolarHBondContact O-N 3Å; Y232-L234 VanDerWaalsContact C-N 3.31Å; Y232-L234 PolarHBondContact O-N 3.46Å; L234-E236 VanDerWaalsContact C-N 3.35Å; L234-L237 WeakPolarHBondContact O-CB 3.49Å; L234-L237 PolarHBondContact O-N 3.4Å; L234-F238 HydrophobicContact CD1-CE2 4.13Å; L234-F238 WeakPolarHBondContact O-CD2 3.29Å
235	I	84.4	Confident	81.9	Confident	12 Å²	12	91.5 Å²	91.5	6%	0.062	46%	0.462	C	S	.	.	H	α-helix	trans	-67.5	-37.9	177.9	-71.1	163.3	0	0	0	110.6	I211 E214 I215 L231 Y232 L237 F238 W239	I211-I235 HydrophobicContact CG2-CD1 4.5Å; E214-I235 HydrophobicContact CB-CD1 3.5Å; E214-I235 VanDerWaalsContact CB-CD1 3.5Å; E214-I235 HydrophobicContact CG-CD1 3.46Å; E214-I235 VanDerWaalsContact CG-CD1 3.46Å; I215-I235 HydrophobicContact CG1-CD1 4.01Å; I215-I235 HydrophobicContact CG1-CG1 4.41Å; I215-I235 HydrophobicContact CG1-CG2 3.92Å; L231-I235 HydrophobicContact CD1-CD1 4.3Å; L231-I235 HydrophobicContact CG-CD1 4Å; L231-I235 WeakPolarHBondContact O-CG1 3.45Å; L231-I235 PolarHBondContact O-N 3.46Å; Y232-I235 PolarHBondContact O-N 3.09Å; I235-L237 PolarHBondContact O-N 3.4Å; I235-F238 PolarHBondContact O-N 3.29Å; I235-W239 HydrophobicContact CG2-CB 3.8Å; I235-W239 HydrophobicContact CG2-CG 4.46Å; I235-W239 WeakPolarHBondContact O-CA 3.36Å; I235-W239 WeakPolarHBondContact O-CB 3.45Å; I235-W239 PolarHBondContact O-N 2.88Å
236	E	84.9	Confident	82.9	Confident	63 Å²	63	94.8 Å²	94.8	29%	0.294	47%	0.466	S	S	.	.	H	α-helix	trans	-58.7	-31	176.9	-174.4	169.2	-147.7	0	0	112.8	K228 Y232 K233 L234 R244	K228-E236 VanDerWaalsContact NZ-CD 3.32Å; K228-E236 IonicContact NZ-OE1 2.82Å; K228-E236 PolarHBondContact NZ-OE1 3.45Å; K228-E236 IonicContact NZ-OE2 2.66Å; K228-E236 PolarHBondContact NZ-OE2 3.47Å; Y232-E236 HydrophobicContact CE1-CB 4.38Å; Y232-E236 WeakPolarHBondContact CE1-OE2 3.14Å; Y232-E236 WeakPolarHBondContact O-CB 3.44Å; Y232-E236 PolarHBondContact O-N 3.45Å; K233-E236 PolarHBondContact O-N 2.89Å; L234-E236 VanDerWaalsContact C-N 3.35Å; E236-R244 IonicContact OE1-NH2 3.71Å
237	L	85.7	Confident	83.7	Confident	143 Å²	143	85.4 Å²	85.4	75%	0.749	43%	0.427	S	S	*	.	H	α-helix	trans	-65.3	-39.5	173.9	-78.3	152.6	0	0	0	112.8	K233 L234 I235	K233-L237 PolarHBondContact O-N 3.31Å; L234-L237 WeakPolarHBondContact O-CB 3.49Å; L234-L237 PolarHBondContact O-N 3.4Å; I235-L237 PolarHBondContact O-N 3.4Å
238	F	82.8	Confident	84.1	Confident	170 Å²	170	85.6 Å²	85.6	75%	0.746	42%	0.417	S	S	*	.	H	α-helix	trans	-93	-26.4	-178.6	-67.3	-75.2	0	0	0	113.1	L234 I235	L234-F238 HydrophobicContact CD1-CE2 4.13Å; L234-F238 WeakPolarHBondContact O-CD2 3.29Å; I235-F238 PolarHBondContact O-N 3.29Å
239	W	81.5	Confident	84.7	Confident	66 Å²	66	87.6 Å²	87.6	25%	0.25	43%	0.427	C	S	.	.	S	Bend	trans	-119.2	73.7	-170.3	-157.2	-99.8	0	0	0	109.8	I215 I235 C243 R244 T247	I215-W239 HydrophobicContact CG2-CZ2 4.42Å; I235-W239 HydrophobicContact CG2-CB 3.8Å; I235-W239 HydrophobicContact CG2-CG 4.46Å; I235-W239 WeakPolarHBondContact O-CA 3.36Å; I235-W239 WeakPolarHBondContact O-CB 3.45Å; I235-W239 PolarHBondContact O-N 2.88Å; W239-C243 HydrophobicContact CD2-CB 4.31Å; W239-C243 VanDerWaalsContact CD2-SG 3.57Å; W239-C243 VanDerWaalsContact CE2-SG 3.54Å; W239-C243 HydrophobicContact CG-CB 4.4Å; W239-R244 HydrophobicContact CG-CG 4.46Å; W239-T247 HydrophobicContact CH2-CG2 3.88Å; W239-T247 HydrophobicContact CZ2-CG2 3.37Å; W239-T247 WeakPolarHBondContact CZ2-OG1 3.39Å; W239-T247 PolarHBondContact NE1-OG1 3.46Å
240	S	83.9	Confident	85.2	Confident	59 Å²	59	90.1 Å²	90.1	41%	0.413	43%	0.43	S	S	.	.			trans	-57.9	165.6	-174.6	72.5	0	0	0	0	113.2	N242 C243 R244	S240-N242 PolarHBondContact O-N 3.24Å; S240-C243 WeakPolarHBondContact O-CB 2.93Å; S240-C243 PolarHBondContact O-N 3.27Å; S240-C243 VanDerWaalsContact O-N 3.08Å; S240-C243 PolarHBondContact OG-N 3.3Å; S240-R244 PolarHBondContact O-N 3.29Å
241	S	82.5	Confident	85.7	Confident	70 Å²	70	81.5 Å²	81.5	49%	0.49	40%	0.399	S	S	.	.	H	α-helix	trans	-51.6	-38.4	174.5	51.1	0	0	0	0	113.1	R244 S245	S241-R244 PolarHBondContact O-N 2.89Å; S241-S245 PolarHBondContact O-N 2.87Å
242	N	85.8	Confident	86.1	Confident	125 Å²	125	85 Å²	85	67%	0.668	42%	0.418	S	S	*	.	H	α-helix	trans	-69	-41.8	-179.7	-65.6	21.4	0	0	0	110.8	S240 R244 S245 Y246	S240-N242 PolarHBondContact O-N 3.24Å; N242-R244 VanDerWaalsContact C-N 3.34Å; N242-R244 PolarHBondContact O-N 3.41Å; N242-S245 PolarHBondContact O-N 2.92Å; N242-Y246 PolarHBondContact O-N 3.42Å; N242-Y246 VanDerWaalsContact O-N 3.12Å
243	C	85.5	Confident	86.5	Confident	38 Å²	38	89 Å²	89	26%	0.257	44%	0.437	S	S	.	.	H	α-helix	trans	-62.1	-42.6	174.8	-164.9	0	0	0	0	111.1	W239 S240 S245 Y246 T247	W239-C243 HydrophobicContact CD2-CB 4.31Å; W239-C243 VanDerWaalsContact CD2-SG 3.57Å; W239-C243 VanDerWaalsContact CE2-SG 3.54Å; W239-C243 HydrophobicContact CG-CB 4.4Å; S240-C243 WeakPolarHBondContact O-CB 2.93Å; S240-C243 PolarHBondContact O-N 3.27Å; S240-C243 VanDerWaalsContact O-N 3.08Å; S240-C243 PolarHBondContact OG-N 3.3Å; C243-S245 PolarHBondContact O-N 3.11Å; C243-Y246 PolarHBondContact O-N 2.9Å; C243-T247 WeakPolarHBondContact O-CB 3.25Å; C243-T247 WeakPolarHBondContact O-CG2 3.45Å; C243-T247 PolarHBondContact O-N 3.28Å; C243-T247 PolarHBondContact O-OG1 2.96Å
244	R	84.4	Confident	86.7	Confident	59 Å²	59	84.9 Å²	84.9	22%	0.223	42%	0.42	C	S	.	.	H	α-helix	trans	-60.2	-45.7	176.1	-74.1	-174.4	-77.9	156.5	-8.7	112.9	E236 W239 S240 S241 N242 Y246 T247 R248	E236-R244 IonicContact OE1-NH2 3.71Å; W239-R244 HydrophobicContact CG-CG 4.46Å; S240-R244 PolarHBondContact O-N 3.29Å; S241-R244 PolarHBondContact O-N 2.89Å; N242-R244 VanDerWaalsContact C-N 3.34Å; N242-R244 PolarHBondContact O-N 3.41Å; R244-Y246 VanDerWaalsContact C-N 3.34Å; R244-Y246 PolarHBondContact O-N 2.86Å; R244-T247 PolarHBondContact O-N 3.44Å; R244-T247 PolarHBondContact O-OG1 3.49Å; R244-R248 PolarHBondContact O-N 2.84Å
245	S	85.4	Confident	87.1	Confident	93 Å²	93	83.8 Å²	83.8	65%	0.65	41%	0.414	S	S	*	.	H	α-helix	trans	-59.8	-46.3	177.9	-171.3	0	0	0	0	111.4	S241 N242 C243	S241-S245 PolarHBondContact O-N 2.87Å; N242-S245 PolarHBondContact O-N 2.92Å; C243-S245 PolarHBondContact O-N 3.11Å
246	Y	88.4	Confident	87.4	Confident	149 Å²	149	85.7 Å²	85.7	58%	0.584	43%	0.432	S	S	*	.	H	α-helix	trans	-66.1	-39.4	179	178.9	-99.8	0	0	0	113.4	N242 C243 R244 Q249 Y250	N242-Y246 PolarHBondContact O-N 3.42Å; N242-Y246 VanDerWaalsContact O-N 3.12Å; C243-Y246 PolarHBondContact O-N 2.9Å; R244-Y246 VanDerWaalsContact C-N 3.34Å; R244-Y246 PolarHBondContact O-N 2.86Å; Y246-Q249 WeakPolarHBondContact O-CG 3.47Å; Y246-Q249 PolarHBondContact O-NE2 2.81Å; Y246-Y250 HydrophobicContact CE1-CE2 4.17Å
247	T	88.4	Confident	87.7	Confident	13 Å²	13	89.4 Å²	89.4	8%	0.08	44%	0.444	C	S	.	.	H	α-helix	trans	-83.8	-10.2	-176.2	52.7	0	0	0	0	114.3	W239 C243 R244 Q249 Y250	W239-T247 HydrophobicContact CH2-CG2 3.88Å; W239-T247 HydrophobicContact CZ2-CG2 3.37Å; W239-T247 WeakPolarHBondContact CZ2-OG1 3.39Å; W239-T247 PolarHBondContact NE1-OG1 3.46Å; C243-T247 WeakPolarHBondContact O-CB 3.25Å; C243-T247 WeakPolarHBondContact O-CG2 3.45Å; C243-T247 PolarHBondContact O-N 3.28Å; C243-T247 PolarHBondContact O-OG1 2.96Å; R244-T247 PolarHBondContact O-N 3.44Å; R244-T247 PolarHBondContact O-OG1 3.49Å; T247-Q249 PolarHBondContact O-N 3.45Å; T247-Y250 CarbonylContact O-C 3.5Å; T247-Y250 WeakPolarHBondContact O-CA 3.37Å; T247-Y250 PolarHBondContact O-N 2.74Å
248	R	87.6	Confident	87.9	Confident	148 Å²	148	82.8 Å²	82.8	56%	0.558	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-57	-32.5	176.5	-169.9	171.4	-175	-178.6	0.4	113.2	R244 Y250 C251	R244-R248 PolarHBondContact O-N 2.84Å; R248-Y250 PolarHBondContact O-N 3Å; R248-C251 VanDerWaalsContact O-CB 3.23Å; R248-C251 WeakPolarHBondContact O-CB 3.34Å; R248-C251 PolarHBondContact O-N 3.4Å
249	Q	91.1	Very high	88.1	Confident	120 Å²	120	80.6 Å²	80.6	56%	0.561	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-65.2	-26.6	175.4	72.4	-168.1	-39.9	0	0	113	Y246 T247	Y246-Q249 WeakPolarHBondContact O-CG 3.47Å; Y246-Q249 PolarHBondContact O-NE2 2.81Å; T247-Q249 PolarHBondContact O-N 3.45Å
250	Y	91.2	Very high	88.5	Confident	101 Å²	101	84.5 Å²	84.5	40%	0.396	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-97.7	20.5	178.6	-56.6	-70.5	0	0	0	112.6	Y246 T247 R248 N252 E253 I254	Y246-Y250 HydrophobicContact CE1-CE2 4.17Å; T247-Y250 CarbonylContact O-C 3.5Å; T247-Y250 WeakPolarHBondContact O-CA 3.37Å; T247-Y250 PolarHBondContact O-N 2.74Å; R248-Y250 PolarHBondContact O-N 3Å; Y250-N252 VanDerWaalsContact C-N 3.34Å; Y250-N252 PolarHBondContact O-N 3.41Å; Y250-E253 WeakPolarHBondContact CA-OE2 3.29Å; Y250-E253 PolarHBondContact O-N 3.45Å; Y250-I254 WeakPolarHBondContact O-CB 3.1Å; Y250-I254 VanDerWaalsContact O-CG1 3.23Å; Y250-I254 WeakPolarHBondContact O-CG1 3.22Å; Y250-I254 PolarHBondContact O-N 2.95Å
251	C	90.7	Very high	88.7	Confident	22 Å²	22	86.7 Å²	86.7	15%	0.149	43%	0.425	C	S	.	.	H	α-helix	trans	-58.9	-43.6	-175.4	156.9	0	0	0	0	112.2	C220 R248 E253 I254 L255	C220-C251 WeakPolarHBondContact CA-SG 3.42Å; C220-C251 HydrophobicContact CB-CB 4.22Å; C220-C251 WeakPolarHBondContact CB-SG 2.99Å; C220-C251 VanDerWaalsContact SG-CA 3.56Å; C220-C251 WeakPolarHBondContact SG-CB 3.27Å; C220-C251 PolarHBondContact SG-O 3.46Å; C220-C251 VanDerWaalsContact SG-O 3.38Å; C220-C251 CovalentContact SG-SG 2.03Å; C220-C251 PolarHBondContact SG-SG 3.01Å; R248-C251 VanDerWaalsContact O-CB 3.23Å; R248-C251 WeakPolarHBondContact O-CB 3.34Å; R248-C251 PolarHBondContact O-N 3.4Å; C251-E253 VanDerWaalsContact C-N 3.34Å; C251-E253 PolarHBondContact O-N 3.34Å; C251-I254 PolarHBondContact O-N 3.22Å; C251-L255 WeakPolarHBondContact O-CB 3.07Å; C251-L255 PolarHBondContact O-N 2.87Å
252	N	90.9	Very high	88.9	Confident	126 Å²	126	86.4 Å²	86.4	67%	0.674	42%	0.423	S	S	*	.	H	α-helix	trans	-64.8	-40.4	-177.9	-70.9	-25.9	0	0	0	111.3	Y250 L255 A256	Y250-N252 VanDerWaalsContact C-N 3.34Å; Y250-N252 PolarHBondContact O-N 3.41Å; N252-L255 PolarHBondContact O-N 3.15Å; N252-A256 WeakPolarHBondContact O-CB 3.35Å; N252-A256 PolarHBondContact O-N 3.4Å
253	E	92.5	Very high	88.8	Confident	91 Å²	91	82.5 Å²	82.5	43%	0.425	40%	0.402	S	S	.	.	H	α-helix	trans	-66.4	-46	176	-61.5	90.6	154.1	0	0	111.1	Y250 C251 L255 A256 Y257	Y250-E253 WeakPolarHBondContact CA-OE2 3.29Å; Y250-E253 PolarHBondContact O-N 3.45Å; C251-E253 VanDerWaalsContact C-N 3.34Å; C251-E253 PolarHBondContact O-N 3.34Å; E253-L255 VanDerWaalsContact C-N 3.29Å; E253-L255 PolarHBondContact O-N 3.42Å; E253-A256 PolarHBondContact O-N 3.4Å; E253-Y257 HydrophobicContact CB-CE2 4.25Å; E253-Y257 WeakPolarHBondContact O-CD2 3.45Å; E253-Y257 PolarHBondContact O-N 2.98Å
254	I	90	Very high	88.9	Confident	26 Å²	26	84.9 Å²	84.9	13%	0.133	42%	0.416	C	S	.	.	H	α-helix	trans	-60.4	-41.5	177.3	-67.8	167	0	0	0	110.8	I215 T219 Y250 C251 Y257 S258	I215-I254 HydrophobicContact CG2-CG2 4.15Å; T219-I254 HydrophobicContact CG2-CD1 4.28Å; Y250-I254 WeakPolarHBondContact O-CB 3.1Å; Y250-I254 VanDerWaalsContact O-CG1 3.23Å; Y250-I254 WeakPolarHBondContact O-CG1 3.22Å; Y250-I254 PolarHBondContact O-N 2.95Å; C251-I254 PolarHBondContact O-N 3.22Å; I254-Y257 PolarHBondContact O-N 2.98Å; I254-S258 PolarHBondContact O-N 3.35Å
255	L	90.7	Very high	88.7	Confident	65 Å²	65	88.7 Å²	88.7	34%	0.34	44%	0.44	S	S	.	.	H	α-helix	trans	-65.1	-42	175.6	-178	62.7	0	0	0	111.7	C251 N252 E253 Y257 S258 Q259	C251-L255 WeakPolarHBondContact O-CB 3.07Å; C251-L255 PolarHBondContact O-N 2.87Å; N252-L255 PolarHBondContact O-N 3.15Å; E253-L255 VanDerWaalsContact C-N 3.29Å; E253-L255 PolarHBondContact O-N 3.42Å; L255-Y257 PolarHBondContact O-N 2.89Å; L255-S258 PolarHBondContact O-N 3Å; L255-S258 PolarHBondContact O-OG 3.31Å; L255-Q259 WeakPolarHBondContact O-CG 3.37Å; L255-Q259 PolarHBondContact O-N 3.37Å
256	A	91.5	Very high	88.5	Confident	52 Å²	52	88.6 Å²	88.6	43%	0.43	44%	0.436	S	S	.	.	H	α-helix	trans	-62.2	-42.6	175.2	0	0	0	0	0	111.6	N252 E253 Q259 H260	N252-A256 WeakPolarHBondContact O-CB 3.35Å; N252-A256 PolarHBondContact O-N 3.4Å; E253-A256 PolarHBondContact O-N 3.4Å; A256-Q259 PolarHBondContact O-N 3.14Å; A256-H260 WeakPolarHBondContact O-CB 3.42Å; A256-H260 PolarHBondContact O-N 3.48Å
257	Y	91.1	Very high	88.3	Confident	141 Å²	141	82.2 Å²	82.2	55%	0.553	42%	0.415	S	S	*	.	H	α-helix	trans	-64.1	-41.2	174.3	-72	-58.6	0	0	0	112.2	E253 I254 L255 Q259 H260 F261	E253-Y257 HydrophobicContact CB-CE2 4.25Å; E253-Y257 WeakPolarHBondContact O-CD2 3.45Å; E253-Y257 PolarHBondContact O-N 2.98Å; I254-Y257 PolarHBondContact O-N 2.98Å; L255-Y257 PolarHBondContact O-N 2.89Å; Y257-Q259 VanDerWaalsContact C-N 3.28Å; Y257-Q259 PolarHBondContact O-N 2.91Å; Y257-H260 PolarHBondContact O-N 3.43Å; Y257-F261 HydrophobicContact CD1-CE2 4.21Å; Y257-F261 VanDerWaalsContact O-CD2 3.25Å; Y257-F261 WeakPolarHBondContact O-CD2 3.31Å; Y257-F261 PolarHBondContact O-N 3.3Å
258	S	89.1	Confident	88.1	Confident	5 Å²	5	84.4 Å²	84.4	4%	0.035	42%	0.424	C	S	.	.	H	α-helix	trans	-64.5	-35	179.4	77.8	0	0	0	0	112.2	I254 L255 S262	I254-S258 PolarHBondContact O-N 3.35Å; L255-S258 PolarHBondContact O-N 3Å; L255-S258 PolarHBondContact O-OG 3.31Å; S258-S262 WeakPolarHBondContact O-CB 3.46Å; S258-S262 PolarHBondContact O-N 3.33Å
259	Q	88.5	Confident	87.9	Confident	124 Å²	124	81.1 Å²	81.1	58%	0.579	42%	0.418	S	S	*	.	H	α-helix	trans	-69.8	-43.8	171.8	-69.5	174.8	-13.2	0	0	111.9	L255 A256 Y257 F261 S262	L255-Q259 WeakPolarHBondContact O-CG 3.37Å; L255-Q259 PolarHBondContact O-N 3.37Å; A256-Q259 PolarHBondContact O-N 3.14Å; Y257-Q259 VanDerWaalsContact C-N 3.28Å; Y257-Q259 PolarHBondContact O-N 2.91Å; Q259-F261 PolarHBondContact O-N 2.67Å; Q259-S262 VanDerWaalsContact O-CB 3.31Å; Q259-S262 WeakPolarHBondContact O-CB 3.43Å; Q259-S262 PolarHBondContact O-N 3.46Å; Q259-S262 VanDerWaalsContact O-N 3.1Å; Q259-S262 PolarHBondContact O-OG 2.58Å
260	H	89.5	Confident	87.7	Confident	148 Å²	148	84 Å²	84	69%	0.685	42%	0.424	S	S	*	.	H	α-helix	trans	-63.5	-39.1	180	-174.9	-80.2	0	0	0	112.9	A256 Y257 S262	A256-H260 WeakPolarHBondContact O-CB 3.42Å; A256-H260 PolarHBondContact O-N 3.48Å; Y257-H260 PolarHBondContact O-N 3.43Å; H260-S262 VanDerWaalsContact C-N 3.3Å
261	F	88.3	Confident	87.5	Confident	105 Å²	105	82.4 Å²	82.4	46%	0.461	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	7.9	175.9	-68.8	-71.3	0	0	0	113.2	I208 S209 L212 Y257 Q259 L263	I208-F261 HydrophobicContact CG2-CB 4.01Å; I208-F261 HydrophobicContact CG2-CG 4.3Å; S209-F261 WeakPolarHBondContact CB-O 3.45Å; L212-F261 HydrophobicContact CD1-CB 3.79Å; L212-F261 HydrophobicContact CD1-CD2 3.74Å; L212-F261 HydrophobicContact CD1-CG 4.06Å; Y257-F261 HydrophobicContact CD1-CE2 4.21Å; Y257-F261 VanDerWaalsContact O-CD2 3.25Å; Y257-F261 WeakPolarHBondContact O-CD2 3.31Å; Y257-F261 PolarHBondContact O-N 3.3Å; Q259-F261 PolarHBondContact O-N 2.67Å; F261-L263 PolarHBondContact O-N 2.87Å
262	S	86.7	Confident	87.3	Confident	63 Å²	63	81.5 Å²	81.5	44%	0.441	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-71.9	125.1	175.3	73.2	0	0	0	0	110.1	S258 Q259 H260	S258-S262 WeakPolarHBondContact O-CB 3.46Å; S258-S262 PolarHBondContact O-N 3.33Å; Q259-S262 VanDerWaalsContact O-CB 3.31Å; Q259-S262 WeakPolarHBondContact O-CB 3.43Å; Q259-S262 PolarHBondContact O-N 3.46Å; Q259-S262 VanDerWaalsContact O-N 3.1Å; Q259-S262 PolarHBondContact O-OG 2.58Å; H260-S262 VanDerWaalsContact C-N 3.3Å
263	L	84	Confident	87.1	Confident	43 Å²	43	78 Å²	78	23%	0.225	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-93.6	130.7	179.1	-156.2	71.1	0	0	0	108.5	F261 G267 Q268 F271	F261-L263 PolarHBondContact O-N 2.87Å; L263-G267 VanDerWaalsContact CD2-C 3.5Å; L263-Q268 HydrophobicContact CB-CG 3.85Å; L263-Q268 HydrophobicContact CD2-CB 4.39Å; L263-Q268 HydrophobicContact CD2-CG 3.88Å; L263-Q268 HydrophobicContact CG-CG 4.15Å; L263-Q268 PolarHBondContact O-NE2 2.94Å; L263-Q268 VanDerWaalsContact O-NE2 3.14Å; L263-F271 HydrophobicContact CD1-CD2 4.26Å; L263-F271 HydrophobicContact CD1-CE2 4.04Å; L263-F271 HydrophobicContact CD2-CB 4.33Å; L263-F271 HydrophobicContact CD2-CD2 3.64Å; L263-F271 HydrophobicContact CD2-CE2 4.23Å; L263-F271 HydrophobicContact CD2-CG 4.19Å; L263-F271 HydrophobicContact CG-CD2 4.49Å
264	T	85.7	Confident	86.9	Confident	89 Å²	89	77.4 Å²	77.4	55%	0.546	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-58.3	156.4	174.9	61	0	0	0	0	110.7	T266 G267 Q268	T264-T266 PolarHBondContact O-N 3.38Å; T264-T266 PolarHBondContact OG1-OG1 3.4Å; T264-T266 VanDerWaalsContact OG1-OG1 3.05Å; T264-G267 CarbonylContact O-C 3.43Å; T264-G267 WeakPolarHBondContact O-CA 3.32Å; T264-G267 PolarHBondContact O-N 2.98Å; T264-G267 PolarHBondContact OG1-N 3.41Å; T264-Q268 WeakPolarHBondContact O-CG 3.31Å; T264-Q268 PolarHBondContact O-N 3.47Å
265	N	81.7	Confident	86.9	Confident	138 Å²	138	76.2 Å²	76.2	74%	0.738	39%	0.387	S	S	*	.	H	α-helix	trans	-55	-38.6	177.6	-67.4	0.4	0	0	0	111.9	Q268 L269	N265-Q268 PolarHBondContact O-N 2.92Å; N265-L269 PolarHBondContact O-N 2.97Å
266	T	80.9	Confident	86.8	Confident	92 Å²	92	73.3 Å²	73.3	56%	0.564	37%	0.371	S	S	*	.	H	α-helix	trans	-66.3	-42.5	174.3	50.9	0	0	0	0	112	T264 L269 W270	T264-T266 PolarHBondContact O-N 3.38Å; T264-T266 PolarHBondContact OG1-OG1 3.4Å; T264-T266 VanDerWaalsContact OG1-OG1 3.05Å; T266-L269 WeakPolarHBondContact O-CB 3.44Å; T266-L269 PolarHBondContact O-N 2.98Å; T266-W270 PolarHBondContact O-N 2.99Å
267	G	83.7	Confident	86.6	Confident	14 Å²	14	74.5 Å²	74.5	14%	0.144	38%	0.376	C	S	.	.	H	α-helix	trans	-60.2	-47.2	173.8	0	0	0	0	0	111.9	L263 T264 L269 W270 F271	L263-G267 VanDerWaalsContact CD2-C 3.5Å; T264-G267 CarbonylContact O-C 3.43Å; T264-G267 WeakPolarHBondContact O-CA 3.32Å; T264-G267 PolarHBondContact O-N 2.98Å; T264-G267 PolarHBondContact OG1-N 3.41Å; G267-L269 VanDerWaalsContact C-N 3.3Å; G267-L269 PolarHBondContact O-N 2.98Å; G267-W270 PolarHBondContact O-N 2.83Å; G267-F271 WeakPolarHBondContact O-CD2 3.38Å; G267-F271 PolarHBondContact O-N 2.94Å
268	Q	85.4	Confident	86.5	Confident	59 Å²	59	68.4 Å²	68.4	28%	0.276	35%	0.353	S	S	.	.	H	α-helix	trans	-58.3	-42.6	176.6	-68.1	-178.9	11.4	0	0	111.9	L263 T264 N265 N272	L263-Q268 HydrophobicContact CB-CG 3.85Å; L263-Q268 HydrophobicContact CD2-CB 4.39Å; L263-Q268 HydrophobicContact CD2-CG 3.88Å; L263-Q268 HydrophobicContact CG-CG 4.15Å; L263-Q268 PolarHBondContact O-NE2 2.94Å; L263-Q268 VanDerWaalsContact O-NE2 3.14Å; T264-Q268 WeakPolarHBondContact O-CG 3.31Å; T264-Q268 PolarHBondContact O-N 3.47Å; N265-Q268 PolarHBondContact O-N 2.92Å; Q268-N272 VanDerWaalsContact O-CB 3.32Å; Q268-N272 WeakPolarHBondContact O-CB 3.18Å; Q268-N272 PolarHBondContact O-N 3.24Å; Q268-N272 PolarHBondContact O-ND2 3.12Å
269	L	83.5	Confident	86.6	Confident	80 Å²	80	68.2 Å²	68.2	42%	0.419	35%	0.351	S	S	.	.	H	α-helix	trans	-59.4	-51.3	175.3	179.4	65.4	0	0	0	111.4	N265 T266 G267 N272 L273 L326	N265-L269 PolarHBondContact O-N 2.97Å; T266-L269 WeakPolarHBondContact O-CB 3.44Å; T266-L269 PolarHBondContact O-N 2.98Å; G267-L269 VanDerWaalsContact C-N 3.3Å; G267-L269 PolarHBondContact O-N 2.98Å; L269-N272 PolarHBondContact O-N 3.41Å; L269-L273 HydrophobicContact CD1-CD1 4.24Å; L269-L273 HydrophobicContact CD1-CG 4.36Å; L269-L273 HydrophobicContact CG-CD1 4.15Å; L269-L273 WeakPolarHBondContact O-CG 3.5Å; L269-L273 PolarHBondContact O-N 2.64Å; L269-L326 HydrophobicContact CD1-CD1 3.42Å; L269-L326 VanDerWaalsContact CD1-CD1 3.42Å
270	W	85.5	Confident	86.5	Confident	181 Å²	181	65 Å²	65	69%	0.686	34%	0.338	S	S	*	.	H	α-helix	trans	-64.6	-43.1	-178.1	-75.9	117.6	0	0	0	113.2	T266 G267 N272 L273 L274	T266-W270 PolarHBondContact O-N 2.99Å; G267-W270 PolarHBondContact O-N 2.83Å; W270-N272 VanDerWaalsContact C-N 3.34Å; W270-N272 PolarHBondContact O-N 2.66Å; W270-L273 HydrophobicContact CE3-CD1 4.34Å; W270-L273 HydrophobicContact CZ3-CD1 4.48Å; W270-L273 PolarHBondContact O-N 3.02Å; W270-L274 WeakPolarHBondContact O-CB 3.39Å; W270-L274 PolarHBondContact O-N 3.45Å
271	F	88.2	Confident	86.3	Confident	67 Å²	67	60.9 Å²	60.9	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-65.1	-37.1	175.7	-86.5	-86.6	0	0	0	112	C202 C205 I206 L263 G267 L275	C202-F271 HydrophobicContact CB-CD1 4.37Å; C205-F271 HydrophobicContact CB-CD1 4.1Å; C205-F271 HydrophobicContact CB-CE1 4.01Å; I206-F271 HydrophobicContact CD1-CB 4.17Å; I206-F271 HydrophobicContact CG1-CB 3.91Å; L263-F271 HydrophobicContact CD1-CD2 4.26Å; L263-F271 HydrophobicContact CD1-CE2 4.04Å; L263-F271 HydrophobicContact CD2-CB 4.33Å; L263-F271 HydrophobicContact CD2-CD2 3.64Å; L263-F271 HydrophobicContact CD2-CE2 4.23Å; L263-F271 HydrophobicContact CD2-CG 4.19Å; L263-F271 HydrophobicContact CG-CD2 4.49Å; G267-F271 WeakPolarHBondContact O-CD2 3.38Å; G267-F271 PolarHBondContact O-N 2.94Å; F271-L275 WeakPolarHBondContact O-CB 3.41Å; F271-L275 PolarHBondContact O-N 2.95Å
272	N	86.8	Confident	86.3	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.011	30%	0.301	C	S	.	.	H	α-helix	trans	-66.3	-45.3	174.4	-86.3	-69.7	0	0	0	112	Q268 L269 W270 L274 L275 I276 I325	Q268-N272 VanDerWaalsContact O-CB 3.32Å; Q268-N272 WeakPolarHBondContact O-CB 3.18Å; Q268-N272 PolarHBondContact O-N 3.24Å; Q268-N272 PolarHBondContact O-ND2 3.12Å; L269-N272 PolarHBondContact O-N 3.41Å; W270-N272 VanDerWaalsContact C-N 3.34Å; W270-N272 PolarHBondContact O-N 2.66Å; N272-L274 VanDerWaalsContact C-N 3.34Å; N272-L274 PolarHBondContact O-N 2.96Å; N272-L275 PolarHBondContact O-N 3.49Å; N272-I276 WeakPolarHBondContact O-CG1 3.37Å; N272-I276 PolarHBondContact O-N 2.96Å; N272-I325 WeakPolarHBondContact ND2-CG2 3.35Å
273	L	86	Confident	86.3	Confident	52 Å²	52	53.2 Å²	53.2	27%	0.272	28%	0.282	S	S	.	.	H	α-helix	trans	-61.9	-42.8	176.3	-71.2	175.3	0	0	0	111.5	L269 W270 L275 I276 C277 L326	L269-L273 HydrophobicContact CD1-CD1 4.24Å; L269-L273 HydrophobicContact CD1-CG 4.36Å; L269-L273 HydrophobicContact CG-CD1 4.15Å; L269-L273 WeakPolarHBondContact O-CG 3.5Å; L269-L273 PolarHBondContact O-N 2.64Å; W270-L273 HydrophobicContact CE3-CD1 4.34Å; W270-L273 HydrophobicContact CZ3-CD1 4.48Å; W270-L273 PolarHBondContact O-N 3.02Å; L273-L275 VanDerWaalsContact C-N 3.34Å; L273-L275 PolarHBondContact O-N 3.05Å; L273-I276 PolarHBondContact O-N 3.2Å; L273-C277 PolarHBondContact O-N 2.97Å; L273-C277 PolarHBondContact O-SG 3.5Å; L273-C277 VanDerWaalsContact O-SG 3.37Å; L273-L326 HydrophobicContact CD2-CD2 4.27Å
274	L	88.5	Confident	86.2	Confident	79 Å²	79	53.1 Å²	53.1	41%	0.414	29%	0.288	S	S	.	.	H	α-helix	trans	-59.2	-45.6	174	178.9	61	0	0	0	111.1	C202 W270 N272 I276 C277 L278	C202-L274 VanDerWaalsContact SG-CD2 3.57Å; W270-L274 WeakPolarHBondContact O-CB 3.39Å; W270-L274 PolarHBondContact O-N 3.45Å; N272-L274 VanDerWaalsContact C-N 3.34Å; N272-L274 PolarHBondContact O-N 2.96Å; L274-I276 PolarHBondContact O-N 2.92Å; L274-C277 PolarHBondContact O-N 3.29Å; L274-L278 HydrophobicContact CD1-CD1 4.23Å; L274-L278 HydrophobicContact CD1-CG 4.23Å; L274-L278 HydrophobicContact CG-CD1 3.96Å; L274-L278 HydrophobicContact CG-CG 4.39Å; L274-L278 WeakPolarHBondContact O-CB 3.39Å; L274-L278 WeakPolarHBondContact O-CG 3.36Å; L274-L278 PolarHBondContact O-N 2.9Å
275	L	89.4	Confident	85.9	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-43.4	177.3	-175.8	61.9	0	0	0	111.7	C202 F203 I206 F271 N272 L273 L278 Q279	C202-L275 HydrophobicContact CB-CD1 4.4Å; F203-L275 HydrophobicContact CB-CD1 4.48Å; F203-L275 HydrophobicContact CB-CD2 4.27Å; F203-L275 HydrophobicContact CD2-CD2 4.01Å; I206-L275 HydrophobicContact CD1-CB 4.37Å; I206-L275 HydrophobicContact CD1-CD2 3.87Å; F271-L275 WeakPolarHBondContact O-CB 3.41Å; F271-L275 PolarHBondContact O-N 2.95Å; N272-L275 PolarHBondContact O-N 3.49Å; L273-L275 VanDerWaalsContact C-N 3.34Å; L273-L275 PolarHBondContact O-N 3.05Å; L275-L278 PolarHBondContact O-N 3.14Å; L275-Q279 HydrophobicContact CD1-CG 4.47Å; L275-Q279 WeakPolarHBondContact O-CG 3.13Å; L275-Q279 PolarHBondContact O-N 3.26Å
276	I	88	Confident	85.7	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-58.3	-49.9	175.3	-70.2	166.5	0	0	0	110.4	N272 L273 L274 L278 Q279 I280 L319 S322 L323 L326 I363	N272-I276 WeakPolarHBondContact O-CG1 3.37Å; N272-I276 PolarHBondContact O-N 2.96Å; L273-I276 PolarHBondContact O-N 3.2Å; L274-I276 PolarHBondContact O-N 2.92Å; I276-L278 VanDerWaalsContact C-N 3.34Å; I276-L278 PolarHBondContact O-N 3.15Å; I276-Q279 PolarHBondContact O-N 2.99Å; I276-I280 HydrophobicContact CG2-CD1 3.76Å; I276-I280 HydrophobicContact CG2-CG1 4.47Å; I276-I280 WeakPolarHBondContact O-CG1 3.48Å; I276-I280 PolarHBondContact O-N 2.88Å; I276-L319 HydrophobicContact CB-CD1 4.41Å; I276-L319 HydrophobicContact CG1-CD1 4.42Å; I276-L319 HydrophobicContact CG2-CD1 3.96Å; I276-S322 WeakPolarHBondContact CG1-OG 3.38Å; I276-L323 HydrophobicContact CD1-CD2 4.03Å; I276-L326 HydrophobicContact CD1-CD2 3.86Å; I276-I363 HydrophobicContact CG2-CG2 4.4Å
277	C	88.3	Confident	85.4	Confident	77 Å²	77	42.3 Å²	42.3	52%	0.52	23%	0.227	S	C	.	.	H	α-helix	trans	-58.8	-45.3	177.8	-69.3	0	0	0	0	111.7	L273 L274 Q279 I280 T281	L273-C277 PolarHBondContact O-N 2.97Å; L273-C277 PolarHBondContact O-SG 3.5Å; L273-C277 VanDerWaalsContact O-SG 3.37Å; L274-C277 PolarHBondContact O-N 3.29Å; C277-Q279 PolarHBondContact O-N 3.18Å; C277-I280 PolarHBondContact O-N 2.68Å; C277-T281 WeakPolarHBondContact O-CG2 3.27Å; C277-T281 PolarHBondContact O-N 2.97Å; C277-T281 PolarHBondContact O-OG1 3.2Å
278	L	89.9	Confident	84.7	Confident	14 Å²	14	47.5 Å²	47.5	7%	0.073	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-45.7	177.4	-69.7	171.2	0	0	0	111.7	L195 I198 L274 L275 I276 T281 L282	L195-L278 HydrophobicContact CD1-CD2 3.22Å; L195-L278 HydrophobicContact CG-CD2 3.84Å; I198-L278 HydrophobicContact CG2-CD1 3.78Å; I198-L278 HydrophobicContact CG2-CD2 4.45Å; L274-L278 HydrophobicContact CD1-CD1 4.23Å; L274-L278 HydrophobicContact CD1-CG 4.23Å; L274-L278 HydrophobicContact CG-CD1 3.96Å; L274-L278 HydrophobicContact CG-CG 4.39Å; L274-L278 WeakPolarHBondContact O-CB 3.39Å; L274-L278 WeakPolarHBondContact O-CG 3.36Å; L274-L278 PolarHBondContact O-N 2.9Å; L275-L278 PolarHBondContact O-N 3.14Å; I276-L278 VanDerWaalsContact C-N 3.34Å; I276-L278 PolarHBondContact O-N 3.15Å; L278-T281 WeakPolarHBondContact CA-OG1 3.48Å; L278-T281 PolarHBondContact O-N 3.33Å; L278-T281 PolarHBondContact O-OG1 3.02Å; L278-L282 WeakPolarHBondContact O-CB 3.36Å; L278-L282 VanDerWaalsContact O-CG 3.31Å; L278-L282 WeakPolarHBondContact O-CG 3.4Å; L278-L282 PolarHBondContact O-N 3.45Å
279	Q	90.3	Very high	83.7	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.1	-43.2	178.1	-62.7	-45.5	-32.8	0	0	112.6	S199 L275 I276 C277 T281 L282 V283 M318 L319	S199-Q279 PolarHBondContact OG-NE2 3.27Å; L275-Q279 HydrophobicContact CD1-CG 4.47Å; L275-Q279 WeakPolarHBondContact O-CG 3.13Å; L275-Q279 PolarHBondContact O-N 3.26Å; I276-Q279 PolarHBondContact O-N 2.99Å; C277-Q279 PolarHBondContact O-N 3.18Å; Q279-T281 VanDerWaalsContact C-N 3.28Å; Q279-T281 PolarHBondContact O-N 3.12Å; Q279-L282 PolarHBondContact O-N 3.36Å; Q279-V283 WeakPolarHBondContact O-CG2 3.46Å; Q279-V283 PolarHBondContact O-N 3.04Å; Q279-M318 HydrophobicContact CG-CB 3.91Å; Q279-L319 HydrophobicContact CB-CB 3.92Å; Q279-L319 HydrophobicContact CB-CD1 4.15Å; Q279-L319 HydrophobicContact CG-CB 4.25Å
280	I	86	Confident	82	Confident	58 Å²	58	51.7 Å²	51.7	30%	0.297	26%	0.263	S	S	.	.	H	α-helix	trans	-58.5	-44.3	176.5	-68	169.4	0	0	0	110.1	I276 C277 V283 A284 L319 I370	I276-I280 HydrophobicContact CG2-CD1 3.76Å; I276-I280 HydrophobicContact CG2-CG1 4.47Å; I276-I280 WeakPolarHBondContact O-CG1 3.48Å; I276-I280 PolarHBondContact O-N 2.88Å; C277-I280 PolarHBondContact O-N 2.68Å; I280-V283 PolarHBondContact O-N 3.18Å; I280-A284 VanDerWaalsContact O-CB 3.31Å; I280-A284 WeakPolarHBondContact O-CB 3.15Å; I280-A284 PolarHBondContact O-N 3.37Å; I280-L319 HydrophobicContact CG1-CD1 4.14Å; I280-I370 HydrophobicContact CG1-CD1 4.26Å
281	T	86.5	Confident	80.4	Confident	61 Å²	61	48.5 Å²	48.5	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-66	-39.7	177.1	57	0	0	0	0	112.9	L195 C277 L278 Q279 A284 M285	L195-T281 WeakPolarHBondContact CD2-OG1 3.43Å; C277-T281 WeakPolarHBondContact O-CG2 3.27Å; C277-T281 PolarHBondContact O-N 2.97Å; C277-T281 PolarHBondContact O-OG1 3.2Å; L278-T281 WeakPolarHBondContact CA-OG1 3.48Å; L278-T281 PolarHBondContact O-N 3.33Å; L278-T281 PolarHBondContact O-OG1 3.02Å; Q279-T281 VanDerWaalsContact C-N 3.28Å; Q279-T281 PolarHBondContact O-N 3.12Å; T281-A284 PolarHBondContact O-N 3.33Å; T281-M285 WeakPolarHBondContact O-CB 3.41Å; T281-M285 VanDerWaalsContact O-CG 3.29Å; T281-M285 WeakPolarHBondContact O-CG 3.21Å; T281-M285 PolarHBondContact O-N 3.47Å
282	L	87.8	Confident	78.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-41.2	177.3	-74.8	166.3	0	0	0	112.3	F192 L195 R196 L278 Q279 M285 S286	F192-L282 HydrophobicContact CD2-CD2 4.15Å; F192-L282 HydrophobicContact CE2-CD2 3.98Å; F192-L282 HydrophobicContact CZ-CD2 4.36Å; L195-L282 HydrophobicContact CB-CD2 4.12Å; L195-L282 HydrophobicContact CD2-CD2 3.79Å; L195-L282 HydrophobicContact CD2-CG 3.89Å; L195-L282 HydrophobicContact CG-CD2 4.13Å; L195-L282 HydrophobicContact CG-CG 4.25Å; R196-L282 HydrophobicContact CG-CD2 4.01Å; L278-L282 WeakPolarHBondContact O-CB 3.36Å; L278-L282 VanDerWaalsContact O-CG 3.31Å; L278-L282 WeakPolarHBondContact O-CG 3.4Å; L278-L282 PolarHBondContact O-N 3.45Å; Q279-L282 PolarHBondContact O-N 3.36Å; L282-M285 HydrophobicContact CD2-CE 3.88Å; L282-M285 PolarHBondContact O-N 2.87Å; L282-S286 WeakPolarHBondContact O-CB 3.47Å; L282-S286 PolarHBondContact O-N 3.3Å; L282-S286 PolarHBondContact O-OG 3.15Å
283	V	85.9	Confident	76.6	Confident	6 Å²	6	56.6 Å²	56.6	4%	0.036	30%	0.299	C	S	.	.	H	α-helix	trans	-65.1	-43.9	172.8	174.4	0	0	0	0	111	Q279 I280 M285 S286 S287 L312 D315 I370	Q279-V283 WeakPolarHBondContact O-CG2 3.46Å; Q279-V283 PolarHBondContact O-N 3.04Å; I280-V283 PolarHBondContact O-N 3.18Å; V283-M285 PolarHBondContact O-N 3.46Å; V283-S286 WeakPolarHBondContact CA-OG 3.42Å; V283-S286 PolarHBondContact O-N 3.22Å; V283-S286 PolarHBondContact O-OG 2.99Å; V283-S287 WeakPolarHBondContact O-CB 3.23Å; V283-S287 PolarHBondContact O-N 2.67Å; V283-S287 PolarHBondContact O-OG 2.95Å; V283-L312 HydrophobicContact CG1-CD1 3.99Å; V283-L312 HydrophobicContact CG2-CD1 4.37Å; V283-D315 HydrophobicContact CG2-CB 3.45Å; V283-D315 VanDerWaalsContact CG2-CB 3.45Å; V283-I370 HydrophobicContact CB-CG2 4.43Å; V283-I370 HydrophobicContact CG1-CB 4.43Å; V283-I370 HydrophobicContact CG1-CD1 4.37Å; V283-I370 HydrophobicContact CG1-CG1 3.98Å; V283-I370 HydrophobicContact CG1-CG2 3.86Å; V283-I370 HydrophobicContact CG2-CG2 4.05Å
284	A	81.6	Confident	74.6	Confident	42 Å²	42	58.8 Å²	58.8	35%	0.347	31%	0.307	S	S	.	.	H	α-helix	trans	-59.8	-46.8	176.2	0	0	0	0	0	110.7	I280 T281 S286 S287 L288	I280-A284 VanDerWaalsContact O-CB 3.31Å; I280-A284 WeakPolarHBondContact O-CB 3.15Å; I280-A284 PolarHBondContact O-N 3.37Å; T281-A284 PolarHBondContact O-N 3.33Å; A284-S286 PolarHBondContact O-N 3.35Å; A284-S287 PolarHBondContact O-N 3Å; A284-S287 PolarHBondContact O-OG 3.24Å; A284-L288 WeakPolarHBondContact O-CB 3.3Å; A284-L288 VanDerWaalsContact O-CG 3.23Å; A284-L288 WeakPolarHBondContact O-CG 3.44Å; A284-L288 PolarHBondContact O-N 3.03Å
285	M	80.7	Confident	72.5	Confident	29 Å²	29	60.6 Å²	60.6	14%	0.143	32%	0.317	C	S	.	.	H	α-helix	trans	-64.4	-38	177.1	-69.5	-166	-51	0	0	112.9	W188 F192 L195 T281 L282 V283 S287 L288 R289	W188-M285 HydrophobicContact CE3-SD 4.16Å; W188-M285 HydrophobicContact CZ3-CG 4.19Å; W188-M285 HydrophobicContact CZ3-SD 3.83Å; F192-M285 HydrophobicContact CB-CE 4.36Å; F192-M285 HydrophobicContact CD2-CB 4.37Å; F192-M285 HydrophobicContact CD2-CE 3.7Å; F192-M285 HydrophobicContact CE2-CE 4.46Å; F192-M285 HydrophobicContact CG-CE 4.39Å; L195-M285 HydrophobicContact CD2-CE 3.45Å; L195-M285 VanDerWaalsContact CD2-CE 3.45Å; T281-M285 WeakPolarHBondContact O-CB 3.41Å; T281-M285 VanDerWaalsContact O-CG 3.29Å; T281-M285 WeakPolarHBondContact O-CG 3.21Å; T281-M285 PolarHBondContact O-N 3.47Å; L282-M285 HydrophobicContact CD2-CE 3.88Å; L282-M285 PolarHBondContact O-N 2.87Å; V283-M285 PolarHBondContact O-N 3.46Å; M285-S287 VanDerWaalsContact C-N 3.34Å; M285-L288 PolarHBondContact O-N 3.29Å; M285-R289 PolarHBondContact O-N 2.97Å
286	S	78	Confident	70.5	Confident	18 Å²	18	63.6 Å²	63.6	13%	0.126	34%	0.336	C	S	.	.	H	α-helix	trans	-69.2	-32.4	177.7	70.8	0	0	0	0	112.4	L282 V283 A284	L282-S286 WeakPolarHBondContact O-CB 3.47Å; L282-S286 PolarHBondContact O-N 3.3Å; L282-S286 PolarHBondContact O-OG 3.15Å; V283-S286 WeakPolarHBondContact CA-OG 3.42Å; V283-S286 PolarHBondContact O-N 3.22Å; V283-S286 PolarHBondContact O-OG 2.99Å; A284-S286 PolarHBondContact O-N 3.35Å
287	S	73.6	Confident	68.7	Low	45 Å²	45	67.5 Å²	67.5	32%	0.315	36%	0.363	S	S	.	.	H	α-helix	trans	-73.9	-36.7	172.3	70.5	0	0	0	0	113.2	V283 A284 M285 R289	V283-S287 WeakPolarHBondContact O-CB 3.23Å; V283-S287 PolarHBondContact O-N 2.67Å; V283-S287 PolarHBondContact O-OG 2.95Å; A284-S287 PolarHBondContact O-N 3Å; A284-S287 PolarHBondContact O-OG 3.24Å; M285-S287 VanDerWaalsContact C-N 3.34Å; S287-R289 VanDerWaalsContact C-N 3.29Å; S287-R289 PolarHBondContact O-N 3.48Å
288	L	68.4	Low	67.1	Low	122 Å²	122	70.4 Å²	70.4	64%	0.639	36%	0.364	S	S	*	.	H	α-helix	trans	-72.6	-18.6	176.5	-71.6	172.4	0	0	0	113.5	A284 M285 L290	A284-L288 WeakPolarHBondContact O-CB 3.3Å; A284-L288 VanDerWaalsContact O-CG 3.23Å; A284-L288 WeakPolarHBondContact O-CG 3.44Å; A284-L288 PolarHBondContact O-N 3.03Å; M285-L288 PolarHBondContact O-N 3.29Å; L288-L290 PolarHBondContact O-N 3.46Å
289	R	65.6	Low	65.3	Low	167 Å²	167	75.8 Å²	75.8	63%	0.63	39%	0.389	S	S	*	.	S	Bend	trans	-70.7	69.7	168	-165.7	173.8	-179.9	177.2	-1.1	109.4	M285 S287 D291	M285-R289 PolarHBondContact O-N 2.97Å; S287-R289 VanDerWaalsContact C-N 3.29Å; S287-R289 PolarHBondContact O-N 3.48Å; R289-D291 PolarHBondContact O-N 2.92Å
290	L	48	Very low	63.8	Low	60 Å²	60	82.2 Å²	82.2	31%	0.314	41%	0.414	S	S	.	.			trans	-73.9	115	179	-161.2	73.4	0	0	0	109.3	F17 L288 N292	F17-L290 HydrophobicContact CD2-CD2 3.74Å; F17-L290 HydrophobicContact CE2-CD1 3.66Å; F17-L290 HydrophobicContact CE2-CD2 3.53Å; F17-L290 HydrophobicContact CE2-CG 4.19Å; F17-L290 HydrophobicContact CZ-CD1 4.41Å; L288-L290 PolarHBondContact O-N 3.46Å; L290-N292 PolarHBondContact O-N 3.33Å
291	D	51.3	Low	62.9	Low	114 Å²	114	80.5 Å²	80.5	61%	0.61	41%	0.407	S	S	*	.			trans	20.4	69.6	150.9	-69.6	-12.4	0	0	0	116.9	R289 K293	R289-D291 PolarHBondContact O-N 2.92Å; D291-K293 PolarHBondContact O-N 2.89Å; D291-K293 VanDerWaalsContact O-N 3.09Å
292	N	48.8	Very low	62.2	Low	91 Å²	91	77.9 Å²	77.9	49%	0.487	39%	0.391	S	S	.	.			trans	-79.2	70.9	144.3	-83.4	-2.6	0	0	0	107.3	R20 L290 H294	R20-N292 PolarHBondContact NH2-OD1 3.37Å; L290-N292 PolarHBondContact O-N 3.33Å; N292-H294 PolarHBondContact O-N 2.83Å
293	K	46.1	Very low	61.4	Low	149 Å²	149	81.7 Å²	81.7	65%	0.648	41%	0.406	S	S	*	.			trans	-72.8	74.8	171.6	-157.8	176.7	-171.2	179.6	0	107.8	D291	D291-K293 PolarHBondContact O-N 2.89Å; D291-K293 VanDerWaalsContact O-N 3.09Å
294	H	44.2	Very low	60.9	Low	97 Å²	97	85.1 Å²	85.1	45%	0.449	42%	0.421	S	S	.	.			trans	-64.5	151.4	164.8	-74.3	-72	0	0	0	108.5	N292 T296	N292-H294 PolarHBondContact O-N 2.83Å; H294-T296 PolarHBondContact O-N 3.25Å
295	N	43.5	Very low	60.8	Low	117 Å²	117	84.6 Å²	84.6	63%	0.626	41%	0.413	S	S	*	.			trans	-61.1	72.6	178.4	-74.5	-16.4	0	0	0	111.7	Q27	Q27-N295 PolarHBondContact OE1-ND2 3.2Å
296	T	47.7	Very low	60.7	Low	64 Å²	64	83.2 Å²	83.2	39%	0.393	41%	0.406	S	S	.	.			trans	-89.1	142.7	171.8	57.4	0	0	0	0	108.6	H294 Y300	H294-T296 PolarHBondContact O-N 3.25Å; T296-Y300 HydrophobicContact CG2-CD1 3.58Å; T296-Y300 HydrophobicContact CG2-CE1 3.72Å
297	S	50.3	Low	60.9	Low	86 Å²	86	85.3 Å²	85.3	60%	0.601	42%	0.415	S	S	*	.			trans	-43.5	141.1	174.3	174.5	0	0	0	0	111.9	H299 Y300 S301	S297-H299 PolarHBondContact O-N 2.81Å; S297-H299 VanDerWaalsContact O-N 3.13Å; S297-Y300 WeakPolarHBondContact O-CA 3.13Å; S297-Y300 WeakPolarHBondContact O-CB 3.19Å; S297-Y300 PolarHBondContact O-N 3.48Å; S297-S301 PolarHBondContact O-N 2.89Å
298	Y	55.6	Low	61.4	Low	139 Å²	139	85.9 Å²	85.9	55%	0.545	41%	0.412	S	S	.	.	H	α-helix	trans	-47.6	-43.1	-178.1	179.8	-97.1	0	0	0	112.6	S301 I302	Y298-S301 WeakPolarHBondContact O-CB 3.38Å; Y298-S301 PolarHBondContact O-N 2.8Å; Y298-I302 HydrophobicContact CD1-CD1 3.95Å; Y298-I302 HydrophobicContact CE1-CD1 3.38Å; Y298-I302 HydrophobicContact CE1-CG1 4.41Å; Y298-I302 PolarHBondContact O-N 2.89Å
299	H	50.9	Low	62.2	Low	126 Å²	126	80.1 Å²	80.1	58%	0.583	38%	0.382	S	S	*	.	H	α-helix	trans	-65	-37.7	176.2	-90.3	-82.5	0	0	0	114	S297 S301 I302 Y303	S297-H299 PolarHBondContact O-N 2.81Å; S297-H299 VanDerWaalsContact O-N 3.13Å; H299-S301 VanDerWaalsContact C-N 3.31Å; H299-I302 PolarHBondContact O-N 2.97Å; H299-Y303 PolarHBondContact O-N 3.38Å
300	Y	58.5	Low	63.2	Low	135 Å²	135	73.9 Å²	73.9	53%	0.529	36%	0.361	S	S	.	.	H	α-helix	trans	-66.4	-37.3	175.7	-177.9	-87.2	0	0	0	111	T296 S297 I302 H304	T296-Y300 HydrophobicContact CG2-CD1 3.58Å; T296-Y300 HydrophobicContact CG2-CE1 3.72Å; S297-Y300 WeakPolarHBondContact O-CA 3.13Å; S297-Y300 WeakPolarHBondContact O-CB 3.19Å; S297-Y300 PolarHBondContact O-N 3.48Å; Y300-I302 PolarHBondContact O-N 3.09Å; Y300-H304 HydrophobicContact CE1-CB 4.44Å; Y300-H304 VanDerWaalsContact O-CB 3.31Å; Y300-H304 WeakPolarHBondContact O-CB 3.19Å; Y300-H304 PolarHBondContact O-N 2.54Å
301	S	68.7	Low	65.1	Low	22 Å²	22	73.4 Å²	73.4	15%	0.154	36%	0.361	C	S	.	.	H	α-helix	trans	-62.1	-42.4	176.4	-173.8	0	0	0	0	112.1	S297 Y298 H299 D305	S297-S301 PolarHBondContact O-N 2.89Å; Y298-S301 WeakPolarHBondContact O-CB 3.38Å; Y298-S301 PolarHBondContact O-N 2.8Å; H299-S301 VanDerWaalsContact C-N 3.31Å; S301-D305 WeakPolarHBondContact O-CB 3.46Å; S301-D305 PolarHBondContact O-N 3.23Å
302	I	71.2	Confident	66.9	Low	6 Å²	6	68.1 Å²	68.1	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-65.6	-48.2	-179.8	-66.2	172.8	0	0	0	110.8	Y298 H299 Y300 H304 D305 G306 F381 L582	Y298-I302 HydrophobicContact CD1-CD1 3.95Å; Y298-I302 HydrophobicContact CE1-CD1 3.38Å; Y298-I302 HydrophobicContact CE1-CG1 4.41Å; Y298-I302 PolarHBondContact O-N 2.89Å; H299-I302 PolarHBondContact O-N 2.97Å; Y300-I302 PolarHBondContact O-N 3.09Å; I302-H304 PolarHBondContact O-N 2.85Å; I302-D305 PolarHBondContact O-N 3.01Å; I302-G306 PolarHBondContact O-N 2.95Å; I302-F381 HydrophobicContact CG2-CE2 4.05Å; I302-L582 HydrophobicContact CG2-CD1 3.95Å
303	Y	70.9	Confident	68.8	Low	80 Å²	80	63.9 Å²	63.9	31%	0.314	31%	0.309	S	S	.	.	H	α-helix	trans	-60.9	-44.5	179.2	176.6	-105.8	0	0	0	112.2	H299 D305 G306 L307 C581	H299-Y303 PolarHBondContact O-N 3.38Å; Y303-D305 PolarHBondContact O-N 3.39Å; Y303-G306 PolarHBondContact O-N 2.58Å; Y303-L307 HydrophobicContact CD1-CD1 3.94Å; Y303-L307 HydrophobicContact CE1-CD1 3.27Å; Y303-L307 HydrophobicContact CE1-CG 4.07Å; Y303-L307 HydrophobicContact CE2-CD1 4.32Å; Y303-L307 HydrophobicContact CE2-CG 4.27Å; Y303-L307 VanDerWaalsContact CZ-CD1 3.5Å; Y303-L307 PolarHBondContact O-N 3.48Å; Y303-C581 HydrophobicContact CE2-CB 3.8Å
304	H	76.2	Confident	70.8	Confident	78 Å²	78	59.3 Å²	59.3	36%	0.361	29%	0.289	S	S	.	.	H	α-helix	trans	-63.5	-40.5	176.8	-178.7	-78.7	0	0	0	112.2	Y300 I302 G306 L307 K308	Y300-H304 HydrophobicContact CE1-CB 4.44Å; Y300-H304 VanDerWaalsContact O-CB 3.31Å; Y300-H304 WeakPolarHBondContact O-CB 3.19Å; Y300-H304 PolarHBondContact O-N 2.54Å; I302-H304 PolarHBondContact O-N 2.85Å; H304-G306 VanDerWaalsContact C-N 3.32Å; H304-L307 PolarHBondContact O-N 2.84Å; H304-K308 WeakPolarHBondContact O-CB 3.41Å; H304-K308 PolarHBondContact O-N 2.97Å
305	D	79.3	Confident	73	Confident	32 Å²	32	54.7 Å²	54.7	17%	0.171	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-39.3	174.8	-72.5	-17.2	0	0	0	111.4	S301 I302 Y303 K308 S309 F381 K384	S301-D305 WeakPolarHBondContact O-CB 3.46Å; S301-D305 PolarHBondContact O-N 3.23Å; I302-D305 PolarHBondContact O-N 3.01Å; Y303-D305 PolarHBondContact O-N 3.39Å; D305-K308 PolarHBondContact O-N 2.67Å; D305-S309 PolarHBondContact O-N 2.61Å; D305-F381 HydrophobicContact CB-CD2 4.25Å; D305-K384 IonicContact OD2-NZ 3.38Å; D305-K384 PolarHBondContact OD2-NZ 3.27Å
306	G	78.8	Confident	75.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-44.2	175.2	0	0	0	0	0	113	I302 Y303 H304 S309 L310 T585 N589	I302-G306 PolarHBondContact O-N 2.95Å; Y303-G306 PolarHBondContact O-N 2.58Å; H304-G306 VanDerWaalsContact C-N 3.32Å; G306-S309 WeakPolarHBondContact O-CB 3.37Å; G306-S309 PolarHBondContact O-N 3.25Å; G306-L310 WeakPolarHBondContact O-CB 3.33Å; G306-L310 PolarHBondContact O-N 2.96Å; G306-T585 VanDerWaalsContact C-CG2 3.42Å; G306-T585 WeakPolarHBondContact O-CG2 3.22Å; G306-N589 PolarHBondContact O-ND2 3.04Å; G306-N589 VanDerWaalsContact O-ND2 3.12Å
307	L	81.6	Confident	77.2	Confident	61 Å²	61	46.3 Å²	46.3	32%	0.319	22%	0.22	S	C	.	.	H	α-helix	trans	-63.7	-41.9	174	-79.7	174.8	0	0	0	112.2	Y303 H304 S309 L310 V311	Y303-L307 HydrophobicContact CD1-CD1 3.94Å; Y303-L307 HydrophobicContact CE1-CD1 3.27Å; Y303-L307 HydrophobicContact CE1-CG 4.07Å; Y303-L307 HydrophobicContact CE2-CD1 4.32Å; Y303-L307 HydrophobicContact CE2-CG 4.27Å; Y303-L307 VanDerWaalsContact CZ-CD1 3.5Å; Y303-L307 PolarHBondContact O-N 3.48Å; H304-L307 PolarHBondContact O-N 2.84Å; L307-S309 VanDerWaalsContact C-N 3.33Å; L307-S309 PolarHBondContact O-N 2.93Å; L307-L310 PolarHBondContact O-N 2.58Å; L307-V311 WeakPolarHBondContact O-CG2 3.46Å; L307-V311 PolarHBondContact O-N 2.7Å
308	K	83.9	Confident	79.1	Confident	58 Å²	58	42.6 Å²	42.6	25%	0.252	19%	0.193	S	C	.	.	H	α-helix	trans	-60.1	-45.1	176.5	-178.2	178.7	178.7	174.9	0	111	H304 D305 L310 L312	H304-K308 WeakPolarHBondContact O-CB 3.41Å; H304-K308 PolarHBondContact O-N 2.97Å; D305-K308 PolarHBondContact O-N 2.67Å; K308-L310 VanDerWaalsContact C-N 3.33Å; K308-L312 WeakPolarHBondContact O-CB 3.44Å; K308-L312 PolarHBondContact O-N 3.34Å; K308-L312 VanDerWaalsContact O-N 3.15Å
309	S	85.7	Confident	80.7	Confident	1 Å²	1	36 Å²	36	1%	0.007	17%	0.167	C	C	.	.	H	α-helix	trans	-57.6	-46	173.3	174	0	0	0	0	111.5	D305 G306 L307 L312 L313 W378 N589	D305-S309 PolarHBondContact O-N 2.61Å; G306-S309 WeakPolarHBondContact O-CB 3.37Å; G306-S309 PolarHBondContact O-N 3.25Å; L307-S309 VanDerWaalsContact C-N 3.33Å; L307-S309 PolarHBondContact O-N 2.93Å; S309-L312 PolarHBondContact O-N 2.81Å; S309-L313 WeakPolarHBondContact O-CB 2.99Å; S309-L313 WeakPolarHBondContact O-CG 3.01Å; S309-L313 PolarHBondContact O-N 2.69Å; S309-W378 WeakPolarHBondContact OG-CA 3.32Å; S309-W378 WeakPolarHBondContact OG-CB 3.27Å; S309-N589 VanDerWaalsContact C-OD1 3.3Å; S309-N589 PolarHBondContact OG-OD1 3.49Å
310	L	86.3	Confident	82.5	Confident	36 Å²	36	30 Å²	30	19%	0.188	14%	0.14	C	C	.	.	H	α-helix	trans	-62.7	-48.2	-176.8	-178.2	156.2	0	0	0	111.9	G306 L307 K308 L312 L313 Y314 T585 A588 N589	G306-L310 WeakPolarHBondContact O-CB 3.33Å; G306-L310 PolarHBondContact O-N 2.96Å; L307-L310 PolarHBondContact O-N 2.58Å; K308-L310 VanDerWaalsContact C-N 3.33Å; L310-L312 VanDerWaalsContact C-N 3.3Å; L310-L312 PolarHBondContact O-N 3.44Å; L310-L313 PolarHBondContact O-N 3.3Å; L310-Y314 WeakPolarHBondContact O-CB 3.45Å; L310-Y314 PolarHBondContact O-N 2.8Å; L310-T585 HydrophobicContact CD1-CG2 4.08Å; L310-A588 HydrophobicContact CD1-CB 3.45Å; L310-A588 VanDerWaalsContact CD1-CB 3.45Å; L310-A588 HydrophobicContact CG-CB 4.35Å; L310-N589 WeakPolarHBondContact CA-OD1 3.42Å; L310-N589 WeakPolarHBondContact CB-OD1 3.44Å; L310-N589 PolarHBondContact N-OD1 3.09Å
311	V	88.2	Confident	83.9	Confident	50 Å²	50	25.8 Å²	25.8	30%	0.303	13%	0.126	S	C	.	.	H	α-helix	trans	-61.4	-41.9	178.5	175.3	0	0	0	0	110.8	F192 L307 Y314 D315	F192-V311 HydrophobicContact CZ-CG1 4.14Å; L307-V311 WeakPolarHBondContact O-CG2 3.46Å; L307-V311 PolarHBondContact O-N 2.7Å; V311-Y314 WeakPolarHBondContact O-CB 3.17Å; V311-Y314 PolarHBondContact O-N 3.1Å; V311-D315 PolarHBondContact O-N 2.71Å; V311-D315 VanDerWaalsContact O-N 3.1Å
312	L	87.6	Confident	84.8	Confident	3 Å²	3	24.7 Å²	24.7	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-66.6	-43.7	178.8	-174.3	67.7	0	0	0	112.1	V283 K308 S309 L310 Y314 D315 I316 Y373 V377	V283-L312 HydrophobicContact CG1-CD1 3.99Å; V283-L312 HydrophobicContact CG2-CD1 4.37Å; K308-L312 WeakPolarHBondContact O-CB 3.44Å; K308-L312 PolarHBondContact O-N 3.34Å; K308-L312 VanDerWaalsContact O-N 3.15Å; S309-L312 PolarHBondContact O-N 2.81Å; L310-L312 VanDerWaalsContact C-N 3.3Å; L310-L312 PolarHBondContact O-N 3.44Å; L312-Y314 VanDerWaalsContact C-N 3.3Å; L312-Y314 PolarHBondContact O-N 3.34Å; L312-D315 WeakPolarHBondContact O-CB 3.45Å; L312-D315 PolarHBondContact O-N 3.4Å; L312-I316 HydrophobicContact CD1-CD1 4.36Å; L312-I316 HydrophobicContact CG-CD1 3.95Å; L312-I316 WeakPolarHBondContact O-CD1 3.49Å; L312-I316 WeakPolarHBondContact O-CG1 3.46Å; L312-I316 PolarHBondContact O-N 3.26Å; L312-Y373 HydrophobicContact CD1-CD1 3.99Å; L312-Y373 HydrophobicContact CD1-CE1 3.88Å; L312-Y373 HydrophobicContact CD2-CD1 3.7Å; L312-Y373 HydrophobicContact CD2-CE1 3.56Å; L312-Y373 HydrophobicContact CG-CD1 4.43Å; L312-Y373 HydrophobicContact CG-CE1 4.4Å; L312-V377 HydrophobicContact CD2-CB 3.74Å; L312-V377 HydrophobicContact CD2-CG1 4.07Å; L312-V377 HydrophobicContact CD2-CG2 3.74Å
313	L	88.6	Confident	85.5	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-65.1	-35.2	177	-77	174.3	0	0	0	112.2	S309 L310 S317 W378 N589 F592 L593 V596	S309-L313 WeakPolarHBondContact O-CB 2.99Å; S309-L313 WeakPolarHBondContact O-CG 3.01Å; S309-L313 PolarHBondContact O-N 2.69Å; L310-L313 PolarHBondContact O-N 3.3Å; L313-S317 WeakPolarHBondContact O-CB 3.25Å; L313-S317 PolarHBondContact O-N 2.91Å; L313-S317 PolarHBondContact O-OG 2.85Å; L313-W378 HydrophobicContact CD1-CB 4.15Å; L313-W378 HydrophobicContact CD1-CG 4.02Å; L313-N589 HydrophobicContact CD1-CB 4.3Å; L313-F592 HydrophobicContact CB-CB 3.75Å; L313-L593 HydrophobicContact CD2-CD1 4.45Å; L313-V596 HydrophobicContact CD2-CG2 4.31Å
314	Y	89.9	Confident	86.1	Confident	54 Å²	54	21.3 Å²	21.3	21%	0.212	11%	0.106	C	C	.	.	H	α-helix	trans	-59.5	-49.3	170.9	168.9	-96.4	0	0	0	111	L310 V311 L312 I316 S317 M318 F592	L310-Y314 WeakPolarHBondContact O-CB 3.45Å; L310-Y314 PolarHBondContact O-N 2.8Å; V311-Y314 WeakPolarHBondContact O-CB 3.17Å; V311-Y314 PolarHBondContact O-N 3.1Å; L312-Y314 VanDerWaalsContact C-N 3.3Å; L312-Y314 PolarHBondContact O-N 3.34Å; Y314-I316 VanDerWaalsContact C-N 3.3Å; Y314-I316 PolarHBondContact O-N 3.5Å; Y314-S317 WeakPolarHBondContact O-CB 3.35Å; Y314-S317 PolarHBondContact O-N 2.95Å; Y314-S317 VanDerWaalsContact O-N 3.15Å; Y314-M318 HydrophobicContact CD1-CG 4.33Å; Y314-M318 HydrophobicContact CD2-CG 4.16Å; Y314-M318 HydrophobicContact CE1-CG 3.91Å; Y314-M318 HydrophobicContact CE2-CG 3.73Å; Y314-M318 HydrophobicContact CE2-SD 3.92Å; Y314-M318 HydrophobicContact CG-CG 4.44Å; Y314-M318 VanDerWaalsContact O-CG 3.27Å; Y314-M318 WeakPolarHBondContact O-CG 3.49Å; Y314-M318 PolarHBondContact O-N 3.42Å; Y314-F592 AromaticContact CD2-CE1 3.77Å; Y314-F592 HydrophobicContact CD2-CE1 3.77Å; Y314-F592 AromaticContact CD2-CZ 3.75Å; Y314-F592 HydrophobicContact CD2-CZ 3.75Å; Y314-F592 HydrophobicContact CG-CZ 4.44Å
315	D	89.7	Confident	86.5	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59	-44.3	-179.9	-61.5	-12.8	0	0	0	112.4	R196 V283 V311 L312 S317 M318 L319	R196-D315 IonicContact CZ-OD1 3.71Å; R196-D315 IonicContact CZ-OD2 2.99Å; R196-D315 IonicContact NH1-OD1 2.99Å; R196-D315 PolarHBondContact NH1-OD1 3.13Å; R196-D315 IonicContact NH1-OD2 2.7Å; R196-D315 IonicContact NH2-OD1 3.82Å; R196-D315 PolarHBondContact NH2-OD1 3.06Å; R196-D315 IonicContact NH2-OD2 3Å; R196-D315 PolarHBondContact NH2-OD2 2.91Å; V283-D315 HydrophobicContact CG2-CB 3.45Å; V283-D315 VanDerWaalsContact CG2-CB 3.45Å; V311-D315 PolarHBondContact O-N 2.71Å; V311-D315 VanDerWaalsContact O-N 3.1Å; L312-D315 WeakPolarHBondContact O-CB 3.45Å; L312-D315 PolarHBondContact O-N 3.4Å; D315-S317 VanDerWaalsContact C-N 3.34Å; D315-M318 PolarHBondContact O-N 3.31Å; D315-L319 WeakPolarHBondContact O-CB 3.4Å; D315-L319 PolarHBondContact O-N 2.87Å
316	I	89.4	Confident	86.6	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-66.3	-41	179.7	-65	169.8	0	0	0	110.1	L312 Y314 L319 L320 I370 I371 V596	L312-I316 HydrophobicContact CD1-CD1 4.36Å; L312-I316 HydrophobicContact CG-CD1 3.95Å; L312-I316 WeakPolarHBondContact O-CD1 3.49Å; L312-I316 WeakPolarHBondContact O-CG1 3.46Å; L312-I316 PolarHBondContact O-N 3.26Å; Y314-I316 VanDerWaalsContact C-N 3.3Å; Y314-I316 PolarHBondContact O-N 3.5Å; I316-L319 PolarHBondContact O-N 2.91Å; I316-L320 HydrophobicContact CG2-CD1 4.09Å; I316-L320 VanDerWaalsContact O-CB 3.32Å; I316-L320 WeakPolarHBondContact O-CB 3.31Å; I316-L320 WeakPolarHBondContact O-CG 3.38Å; I316-L320 PolarHBondContact O-N 3.36Å; I316-I370 HydrophobicContact CD1-CG2 4.23Å; I316-I370 WeakPolarHBondContact CD1-O 3.33Å; I316-I370 HydrophobicContact CG1-CG2 3.65Å; I316-I371 HydrophobicContact CG2-CB 4.35Å; I316-I371 HydrophobicContact CG2-CG1 3.58Å; I316-V596 HydrophobicContact CB-CG2 4.36Å; I316-V596 HydrophobicContact CG2-CG1 4.18Å; I316-V596 HydrophobicContact CG2-CG2 3.9Å
317	S	90.2	Very high	86.5	Confident	3 Å²	3	21.3 Å²	21.3	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	-60.6	-46.7	174.5	-60.5	0	0	0	0	111	L313 Y314 D315 L319 L320 I321 V596	L313-S317 WeakPolarHBondContact O-CB 3.25Å; L313-S317 PolarHBondContact O-N 2.91Å; L313-S317 PolarHBondContact O-OG 2.85Å; Y314-S317 WeakPolarHBondContact O-CB 3.35Å; Y314-S317 PolarHBondContact O-N 2.95Å; Y314-S317 VanDerWaalsContact O-N 3.15Å; D315-S317 VanDerWaalsContact C-N 3.34Å; S317-L319 PolarHBondContact O-N 3.18Å; S317-L320 PolarHBondContact O-N 2.83Å; S317-I321 WeakPolarHBondContact O-CB 3.29Å; S317-I321 WeakPolarHBondContact O-CD1 3.42Å; S317-I321 WeakPolarHBondContact O-CG1 3.45Å; S317-I321 PolarHBondContact O-N 3.33Å; S317-V596 WeakPolarHBondContact OG-CG2 3.47Å
318	M	89.7	Confident	86.1	Confident	8 Å²	8	20.3 Å²	20.3	4%	0.039	11%	0.106	C	C	.	.	H	α-helix	trans	-64.1	-41.8	179.1	-66.9	-62.8	-66.9	0	0	111.9	F203 Q279 Y314 D315 I321 S322	F203-M318 HydrophobicContact CB-CE 3.61Å; F203-M318 HydrophobicContact CD1-CE 3.66Å; F203-M318 HydrophobicContact CD2-CE 3.28Å; F203-M318 HydrophobicContact CD2-SD 4.33Å; F203-M318 HydrophobicContact CE1-CE 3.99Å; F203-M318 HydrophobicContact CE1-SD 4.28Å; F203-M318 HydrophobicContact CE2-CE 3.64Å; F203-M318 HydrophobicContact CE2-SD 4.09Å; F203-M318 HydrophobicContact CG-CE 3.25Å; F203-M318 HydrophobicContact CG-SD 4.49Å; F203-M318 HydrophobicContact CZ-CE 3.95Å; F203-M318 HydrophobicContact CZ-SD 4.03Å; Q279-M318 HydrophobicContact CG-CB 3.91Å; Y314-M318 HydrophobicContact CD1-CG 4.33Å; Y314-M318 HydrophobicContact CD2-CG 4.16Å; Y314-M318 HydrophobicContact CE1-CG 3.91Å; Y314-M318 HydrophobicContact CE2-CG 3.73Å; Y314-M318 HydrophobicContact CE2-SD 3.92Å; Y314-M318 HydrophobicContact CG-CG 4.44Å; Y314-M318 VanDerWaalsContact O-CG 3.27Å; Y314-M318 WeakPolarHBondContact O-CG 3.49Å; Y314-M318 PolarHBondContact O-N 3.42Å; D315-M318 PolarHBondContact O-N 3.31Å; M318-I321 PolarHBondContact O-N 3.2Å; M318-S322 WeakPolarHBondContact O-CB 3.25Å; M318-S322 PolarHBondContact O-N 3.26Å; M318-S322 PolarHBondContact O-OG 3Å
319	L	89.6	Confident	85.5	Confident	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-60.3	-50.6	174.8	179.9	64.4	0	0	0	110.4	I276 Q279 I280 D315 I316 S317 I321 S322 L323 I370	I276-L319 HydrophobicContact CB-CD1 4.41Å; I276-L319 HydrophobicContact CG1-CD1 4.42Å; I276-L319 HydrophobicContact CG2-CD1 3.96Å; Q279-L319 HydrophobicContact CB-CB 3.92Å; Q279-L319 HydrophobicContact CB-CD1 4.15Å; Q279-L319 HydrophobicContact CG-CB 4.25Å; I280-L319 HydrophobicContact CG1-CD1 4.14Å; D315-L319 WeakPolarHBondContact O-CB 3.4Å; D315-L319 PolarHBondContact O-N 2.87Å; I316-L319 PolarHBondContact O-N 2.91Å; S317-L319 PolarHBondContact O-N 3.18Å; L319-I321 PolarHBondContact O-N 3.46Å; L319-S322 PolarHBondContact O-N 2.83Å; L319-S322 PolarHBondContact O-OG 2.91Å; L319-L323 HydrophobicContact CD1-CD1 4.4Å; L319-L323 HydrophobicContact CG-CD1 4.1Å; L319-L323 WeakPolarHBondContact O-CG 3.38Å; L319-L323 PolarHBondContact O-N 2.89Å; L319-I370 HydrophobicContact CD2-CD1 4.08Å; L319-I370 HydrophobicContact CD2-CG2 4.02Å
320	L	88.5	Confident	84.4	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.9	-40	178.9	-83	173.5	0	0	0	112.9	I316 S317 L323 N324 I371 V596 C599 T600 L603	I316-L320 HydrophobicContact CG2-CD1 4.09Å; I316-L320 VanDerWaalsContact O-CB 3.32Å; I316-L320 WeakPolarHBondContact O-CB 3.31Å; I316-L320 WeakPolarHBondContact O-CG 3.38Å; I316-L320 PolarHBondContact O-N 3.36Å; S317-L320 PolarHBondContact O-N 2.83Å; L320-L323 PolarHBondContact O-N 2.67Å; L320-N324 WeakPolarHBondContact O-CB 3.45Å; L320-N324 PolarHBondContact O-N 3.04Å; L320-N324 PolarHBondContact O-ND2 3.34Å; L320-I371 HydrophobicContact CD1-CD1 3.99Å; L320-I371 HydrophobicContact CD1-CG1 4.16Å; L320-I371 HydrophobicContact CD2-CD1 3.66Å; L320-I371 HydrophobicContact CG-CD1 4.02Å; L320-I371 HydrophobicContact CG-CG1 4.41Å; L320-V596 HydrophobicContact CD1-CB 4.24Å; L320-V596 HydrophobicContact CD1-CG1 3.85Å; L320-V596 HydrophobicContact CD1-CG2 4.35Å; L320-C599 HydrophobicContact CB-CB 3.74Å; L320-C599 HydrophobicContact CD1-CB 4.19Å; L320-C599 HydrophobicContact CG-CB 4.46Å; L320-T600 WeakPolarHBondContact CD1-OG1 3.08Å; L320-L603 HydrophobicContact CD2-CD2 4.03Å
321	I	88.1	Confident	82.9	Confident	46 Å²	46	23.4 Å²	23.4	24%	0.236	14%	0.138	C	C	.	.	H	α-helix	trans	-62.2	-47.2	174.8	-70.1	163.9	0	0	0	109.9	F203 S317 M318 L319 L323 N324 I325 I595	F203-I321 HydrophobicContact CE2-CG2 4.06Å; S317-I321 WeakPolarHBondContact O-CB 3.29Å; S317-I321 WeakPolarHBondContact O-CD1 3.42Å; S317-I321 WeakPolarHBondContact O-CG1 3.45Å; S317-I321 PolarHBondContact O-N 3.33Å; M318-I321 PolarHBondContact O-N 3.2Å; L319-I321 PolarHBondContact O-N 3.46Å; I321-L323 VanDerWaalsContact C-N 3.34Å; I321-L323 PolarHBondContact O-N 2.66Å; I321-N324 PolarHBondContact O-N 3.41Å; I321-I325 HydrophobicContact CG2-CD1 3.84Å; I321-I325 HydrophobicContact CG2-CG1 4.48Å; I321-I325 WeakPolarHBondContact O-CG1 3.36Å; I321-I325 PolarHBondContact O-N 3.15Å; I321-I595 HydrophobicContact CD1-CG2 4.45Å
322	S	87.8	Confident	81.1	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.6	-38.1	178.9	67.2	0	0	0	0	113	I276 M318 L319 I325 L326	I276-S322 WeakPolarHBondContact CG1-OG 3.38Å; M318-S322 WeakPolarHBondContact O-CB 3.25Å; M318-S322 PolarHBondContact O-N 3.26Å; M318-S322 PolarHBondContact O-OG 3Å; L319-S322 PolarHBondContact O-N 2.83Å; L319-S322 PolarHBondContact O-OG 2.91Å; S322-I325 PolarHBondContact O-N 2.82Å; S322-L326 WeakPolarHBondContact O-CB 3.23Å; S322-L326 PolarHBondContact O-N 3.15Å
323	L	85.6	Confident	79	Confident	9 Å²	9	28.1 Å²	28.1	5%	0.047	17%	0.173	C	C	.	.	H	α-helix	trans	-64.7	-42.7	174.4	-71.2	168.3	0	0	0	112.2	I276 L319 L320 I321 I325 L326 L327 I363 L603	I276-L323 HydrophobicContact CD1-CD2 4.03Å; L319-L323 HydrophobicContact CD1-CD1 4.4Å; L319-L323 HydrophobicContact CG-CD1 4.1Å; L319-L323 WeakPolarHBondContact O-CG 3.38Å; L319-L323 PolarHBondContact O-N 2.89Å; L320-L323 PolarHBondContact O-N 2.67Å; I321-L323 VanDerWaalsContact C-N 3.34Å; I321-L323 PolarHBondContact O-N 2.66Å; L323-I325 VanDerWaalsContact C-N 3.34Å; L323-I325 PolarHBondContact O-N 3.24Å; L323-L326 PolarHBondContact O-N 2.79Å; L323-L327 WeakPolarHBondContact O-CB 3.4Å; L323-L327 PolarHBondContact O-N 3.01Å; L323-I363 HydrophobicContact CD2-CG2 3.41Å; L323-I363 VanDerWaalsContact CD2-CG2 3.41Å; L323-L603 HydrophobicContact CB-CD1 4.44Å
324	N	84.2	Confident	76.5	Confident	5 Å²	5	32.9 Å²	32.9	3%	0.027	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-37.5	176.7	-85.5	-85.9	0	0	0	112.2	L320 I321 S328 C599 R602 L603	L320-N324 WeakPolarHBondContact O-CB 3.45Å; L320-N324 PolarHBondContact O-N 3.04Å; L320-N324 PolarHBondContact O-ND2 3.34Å; I321-N324 PolarHBondContact O-N 3.41Å; N324-S328 WeakPolarHBondContact O-CB 2.93Å; N324-S328 PolarHBondContact O-N 2.94Å; N324-S328 PolarHBondContact O-OG 3.06Å; N324-C599 PolarHBondContact ND2-O 3.44Å; N324-R602 WeakPolarHBondContact OD1-CD 3.3Å; N324-R602 WeakPolarHBondContact OD1-CG 3.47Å; N324-L603 PolarHBondContact OD1-N 3.35Å
325	I	83.1	Confident	73.6	Confident	47 Å²	47	34.8 Å²	34.8	24%	0.241	23%	0.227	C	C	.	.	H	α-helix	trans	-65.8	-46.1	175.5	-67.2	167.5	0	0	0	110.5	I206 N272 I321 S322 L323 L327 S328 S329	I206-I325 HydrophobicContact CG2-CD1 4.04Å; N272-I325 WeakPolarHBondContact ND2-CG2 3.35Å; I321-I325 HydrophobicContact CG2-CD1 3.84Å; I321-I325 HydrophobicContact CG2-CG1 4.48Å; I321-I325 WeakPolarHBondContact O-CG1 3.36Å; I321-I325 PolarHBondContact O-N 3.15Å; S322-I325 PolarHBondContact O-N 2.82Å; L323-I325 VanDerWaalsContact C-N 3.34Å; L323-I325 PolarHBondContact O-N 3.24Å; I325-L327 PolarHBondContact O-N 3.35Å; I325-S328 PolarHBondContact O-N 3.43Å; I325-S329 PolarHBondContact O-N 3.41Å; I325-S329 PolarHBondContact O-OG 3Å
326	L	82.2	Confident	70.7	Confident	33 Å²	33	41.3 Å²	41.3	17%	0.173	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-44.3	178.4	-177.2	63.1	0	0	0	111.9	L269 L273 I276 S322 L323 S329 S330	L269-L326 HydrophobicContact CD1-CD1 3.42Å; L269-L326 VanDerWaalsContact CD1-CD1 3.42Å; L273-L326 HydrophobicContact CD2-CD2 4.27Å; I276-L326 HydrophobicContact CD1-CD2 3.86Å; S322-L326 WeakPolarHBondContact O-CB 3.23Å; S322-L326 PolarHBondContact O-N 3.15Å; L323-L326 PolarHBondContact O-N 2.79Å; L326-S329 PolarHBondContact O-N 3.38Å; L326-S330 PolarHBondContact O-N 2.8Å; L326-S330 VanDerWaalsContact O-N 3.12Å; L326-S330 PolarHBondContact O-OG 2.87Å
327	L	76.4	Confident	67.8	Low	30 Å²	30	45.6 Å²	45.6	16%	0.157	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-44.4	178.5	-171.1	59.3	0	0	0	111.5	L323 I325 S329 S330 S331 L603 C606 L607 V610	L323-L327 WeakPolarHBondContact O-CB 3.4Å; L323-L327 PolarHBondContact O-N 3.01Å; I325-L327 PolarHBondContact O-N 3.35Å; L327-S329 VanDerWaalsContact C-N 3.25Å; L327-S329 PolarHBondContact O-N 2.92Å; L327-S330 WeakPolarHBondContact O-CB 3.48Å; L327-S330 PolarHBondContact O-N 3.3Å; L327-S331 PolarHBondContact O-N 2.86Å; L327-S331 PolarHBondContact O-OG 3.47Å; L327-L603 HydrophobicContact CD2-CD1 3.88Å; L327-C606 HydrophobicContact CD2-CB 3.37Å; L327-C606 HydrophobicContact CG-CB 4.19Å; L327-L607 HydrophobicContact CD2-CD2 4.27Å; L327-L607 HydrophobicContact CD2-CG 4.25Å; L327-V610 HydrophobicContact CD1-CG2 4.5Å
328	S	74.2	Confident	65	Low	41 Å²	41	53.7 Å²	53.7	29%	0.287	33%	0.334	S	S	.	.	H	α-helix	trans	-60.8	-34.4	177.4	-56.5	0	0	0	0	112.6	N324 I325 S332 R602	N324-S328 WeakPolarHBondContact O-CB 2.93Å; N324-S328 PolarHBondContact O-N 2.94Å; N324-S328 PolarHBondContact O-OG 3.06Å; I325-S328 PolarHBondContact O-N 3.43Å; S328-S332 PolarHBondContact O-N 3.39Å; S328-S332 PolarHBondContact O-OG 2.76Å; S328-R602 PolarHBondContact OG-NH2 2.96Å
329	S	69.7	Low	62.2	Low	46 Å²	46	60.1 Å²	60.1	32%	0.322	37%	0.369	S	S	.	.	H	α-helix	trans	-71.6	-32.7	176.6	-52.6	0	0	0	0	111.9	I325 L326 L327 S332 S333	I325-S329 PolarHBondContact O-N 3.41Å; I325-S329 PolarHBondContact O-OG 3Å; L326-S329 PolarHBondContact O-N 3.38Å; L327-S329 VanDerWaalsContact C-N 3.25Å; L327-S329 PolarHBondContact O-N 2.92Å; S329-S332 PolarHBondContact O-OG 3.4Å; S329-S333 PolarHBondContact O-OG 2.85Å
330	S	63.6	Low	59.4	Low	65 Å²	65	65.3 Å²	65.3	46%	0.455	41%	0.405	S	S	.	.	H	α-helix	trans	-72.1	-42.7	177.2	-54.5	0	0	0	0	111.4	L326 L327 S332 S333 S334	L326-S330 PolarHBondContact O-N 2.8Å; L326-S330 VanDerWaalsContact O-N 3.12Å; L326-S330 PolarHBondContact O-OG 2.87Å; L327-S330 WeakPolarHBondContact O-CB 3.48Å; L327-S330 PolarHBondContact O-N 3.3Å; S330-S332 VanDerWaalsContact C-N 3.29Å; S330-S332 PolarHBondContact O-N 3.43Å; S330-S333 WeakPolarHBondContact O-CB 3.44Å; S330-S333 PolarHBondContact O-N 3.22Å; S330-S333 VanDerWaalsContact O-N 3.08Å; S330-S334 PolarHBondContact O-N 3.31Å
331	S	55.5	Low	56.5	Low	49 Å²	49	73.7 Å²	73.7	34%	0.343	44%	0.442	S	S	.	.	H	α-helix	trans	-65.9	-26.8	179.3	-45.3	0	0	0	0	114.3	L327 S333 S334	L327-S331 PolarHBondContact O-N 2.86Å; L327-S331 PolarHBondContact O-OG 3.47Å; S331-S333 VanDerWaalsContact C-N 3.33Å; S331-S334 PolarHBondContact O-OG 2.96Å
332	S	49.7	Very low	53.6	Low	69 Å²	69	78.1 Å²	78.1	48%	0.483	47%	0.466	S	S	.	.	H	α-helix	trans	-81.1	-15.7	175.2	35.1	0	0	0	0	112.7	S328 S329 S330 S335	S328-S332 PolarHBondContact O-N 3.39Å; S328-S332 PolarHBondContact O-OG 2.76Å; S329-S332 PolarHBondContact O-OG 3.4Å; S330-S332 VanDerWaalsContact C-N 3.29Å; S330-S332 PolarHBondContact O-N 3.43Å; S332-S335 PolarHBondContact O-OG 3.1Å
333	S	43.3	Very low	50.8	Low	82 Å²	82	85.9 Å²	85.9	57%	0.573	51%	0.506	S	S	*	.	H	α-helix	trans	-81.8	-28.9	176	-51.3	0	0	0	0	112.1	S329 S330 S331 S335 L336	S329-S333 PolarHBondContact O-OG 2.85Å; S330-S333 WeakPolarHBondContact O-CB 3.44Å; S330-S333 PolarHBondContact O-N 3.22Å; S330-S333 VanDerWaalsContact O-N 3.08Å; S331-S333 VanDerWaalsContact C-N 3.33Å; S333-S335 VanDerWaalsContact C-N 3.31Å; S333-S335 PolarHBondContact O-N 2.82Å; S333-L336 PolarHBondContact O-N 3.4Å
334	S	36.3	Very low	47.9	Very low	101 Å²	101	93.2 Å²	93.2	71%	0.706	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.2	179.9	50.6	0	0	0	0	114.1	S330 S331	S330-S334 PolarHBondContact O-N 3.31Å; S331-S334 PolarHBondContact O-OG 2.96Å
335	S	29.8	Very low	45.3	Very low	94 Å²	94	97.2 Å²	97.2	66%	0.657	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-0.1	172.2	61.9	0	0	0	0	113.9	S332 S333 S337	S332-S335 PolarHBondContact O-OG 3.1Å; S333-S335 VanDerWaalsContact C-N 3.31Å; S333-S335 PolarHBondContact O-N 2.82Å; S335-S337 VanDerWaalsContact C-N 3.33Å; S335-S337 PolarHBondContact O-N 2.84Å
336	L	28.8	Very low	42.9	Very low	138 Å²	138	100.7 Å²	100.7	72%	0.723	60%	0.599	S	S	*	*	S	Bend	trans	-75.6	94.7	164.3	-115.1	86.2	0	0	0	108	S333 L338	S333-L336 PolarHBondContact O-N 3.4Å; L336-L338 PolarHBondContact O-N 3.17Å
337	S	27.8	Very low	40.5	Very low	90 Å²	90	105.3 Å²	105.3	63%	0.629	62%	0.623	S	S	*	*			trans	-25.3	129.3	161.7	48	0	0	0	0	112.7	S335 D339	S335-S337 VanDerWaalsContact C-N 3.33Å; S335-S337 PolarHBondContact O-N 2.84Å; S337-D339 PolarHBondContact O-N 2.88Å
338	L	32	Very low	38.2	Very low	173 Å²	173	109.7 Å²	109.7	91%	0.906	65%	0.651	S	S	*	*	S	Bend	trans	-46.1	93.8	155.2	-92.3	86.3	0	0	0	107.9	L336	L336-L338 PolarHBondContact O-N 3.17Å
339	D	29.1	Very low	36.5	Very low	144 Å²	144	112.7 Å²	112.7	77%	0.77	66%	0.663	S	S	*	*			trans	-174.3	64.2	161.6	-89.6	-24.1	0	0	0	108.2	S337	S337-D339 PolarHBondContact O-N 2.88Å
340	S	32.1	Very low	35.2	Very low	110 Å²	110	115.1 Å²	115.1	77%	0.769	68%	0.678	S	S	*	*			trans	-140.3	84.7	153.5	39.6	0	0	0	0	108.9
341	F	26.9	Very low	34	Very low	176 Å²	176	117.1 Å²	117.1	77%	0.772	68%	0.682	S	S	*	*			trans	-11.1	125	151.3	-99.4	-107.7	0	0	0	115.9
342	N	26.8	Very low	33.5	Very low	139 Å²	139	115.9 Å²	115.9	74%	0.743	68%	0.675	S	S	*	*			trans	43.5	93.3	134.7	-67.8	-27.7	0	0	0	117.7
343	L	29.1	Very low	33.6	Very low	162 Å²	162	116 Å²	116	85%	0.848	68%	0.676	S	S	*	*			trans	-142.5	94.8	139.8	-161.5	70.2	0	0	0	110.7
344	M	26.2	Very low	33.9	Very low	163 Å²	163	115.7 Å²	115.7	80%	0.803	67%	0.671	S	S	*	*			trans	59.6	118.7	144	-140	97.1	75.9	0	0	119.4
345	S	28	Very low	34.8	Very low	89 Å²	89	116 Å²	116	62%	0.622	66%	0.661	S	S	*	*			trans	79.1	90.2	153.9	75.5	0	0	0	0	117.7	I347	S345-I347 VanDerWaalsContact C-N 3.33Å; S345-I347 PolarHBondContact O-N 3.33Å
346	S	32.5	Very low	36.2	Very low	121 Å²	121	117.1 Å²	117.1	85%	0.846	66%	0.658	S	S	*	*				7.1	77.5	116.2	61.2	0	0	0	0	116.2
347	I	32.6	Very low	37.7	Very low	130 Å²	130	114.6 Å²	114.6	67%	0.667	65%	0.648	S	S	*	*			trans	-117.5	99.3	145	-62.9	178	0	0	0	105.1	S345 L349	S345-I347 VanDerWaalsContact C-N 3.33Å; S345-I347 PolarHBondContact O-N 3.33Å; I347-L349 PolarHBondContact O-N 3.34Å
348	T	28.9	Very low	39.6	Very low	122 Å²	122	115.8 Å²	115.8	75%	0.748	65%	0.647	S	S	*	*			trans	-9.9	94.9	150.9	44.3	0	0	0	0	113.4	P350	T348-P350 VanDerWaalsContact C-CD 3.44Å
349	L	37.8	Very low	41.3	Very low	104 Å²	104	112.3 Å²	112.3	55%	0.545	63%	0.629	S	S	.	*			trans	-127.9	37.3	172.9	-144.9	74.1	0	0	0	115.3	I347 I351 A352	I347-L349 PolarHBondContact O-N 3.34Å; L349-I351 PolarHBondContact O-N 3.07Å; L349-A352 HydrophobicContact CD1-CB 3.27Å; L349-A352 HydrophobicContact CD2-CB 3.62Å; L349-A352 HydrophobicContact CG-CB 3.29Å
350	P	41.9	Very low	43.2	Very low	96 Å²	96	106.9 Å²	106.9	62%	0.623	61%	0.607	S	S	*	*	H	α-helix	trans	-65.6	-24.9	160.2	27.5	-28.2	0	0	0	110.6	T348	T348-P350 VanDerWaalsContact C-CD 3.44Å
351	I	40	Very low	45	Very low	107 Å²	107	105.9 Å²	105.9	55%	0.549	60%	0.596	S	S	.	*	H	α-helix	trans	-76	-36.8	-178.7	-61.7	171.8	0	0	0	112.3	L349 T354 H355	L349-I351 PolarHBondContact O-N 3.07Å; I351-T354 PolarHBondContact O-OG1 2.85Å; I351-H355 VanDerWaalsContact CG2-CD2 3.41Å; I351-H355 WeakPolarHBondContact CG2-CD2 3.39Å; I351-H355 WeakPolarHBondContact CG2-NE2 3.23Å; I351-H355 PolarHBondContact O-CD2 3.04Å; I351-H355 VanDerWaalsContact O-CG 3.27Å; I351-H355 PolarHBondContact O-N 2.8Å; I351-H355 VanDerWaalsContact O-N 3.08Å
352	A	43.2	Very low	47.2	Very low	24 Å²	24	104 Å²	104	20%	0.198	59%	0.588	C	S	.	*	H	α-helix	trans	-84	-19.7	178.4	0	0	0	0	0	114.5	L349 T354 H355 I356	L349-A352 HydrophobicContact CD1-CB 3.27Å; L349-A352 HydrophobicContact CD2-CB 3.62Å; L349-A352 HydrophobicContact CG-CB 3.29Å; A352-T354 VanDerWaalsContact C-N 3.35Å; A352-H355 PolarHBondContact O-N 2.92Å; A352-I356 VanDerWaalsContact O-CB 3.3Å; A352-I356 WeakPolarHBondContact O-CB 3.22Å; A352-I356 WeakPolarHBondContact O-CD1 3.48Å; A352-I356 WeakPolarHBondContact O-CG1 3.19Å; A352-I356 PolarHBondContact O-N 3.32Å
353	S	52	Low	49.5	Very low	70 Å²	70	98.6 Å²	98.6	49%	0.49	56%	0.559	S	S	.	*	H	α-helix	trans	-58.4	-48.7	165.7	158.5	0	0	0	0	110.6	I356 T357	S353-I356 PolarHBondContact O-N 3.29Å; S353-T357 WeakPolarHBondContact O-CG2 3.17Å; S353-T357 PolarHBondContact O-N 3.43Å; S353-T357 PolarHBondContact O-OG1 2.75Å; S353-T357 VanDerWaalsContact O-OG1 3.11Å
354	T	50.6	Low	51.6	Low	76 Å²	76	93.1 Å²	93.1	47%	0.466	53%	0.53	S	S	.	.	H	α-helix	trans	-69.3	-34.3	177.7	58.5	0	0	0	0	112.7	I351 A352 T357 L358	I351-T354 PolarHBondContact O-OG1 2.85Å; A352-T354 VanDerWaalsContact C-N 3.35Å; T354-T357 WeakPolarHBondContact CA-OG1 3.27Å; T354-T357 PolarHBondContact O-OG1 3.48Å; T354-L358 WeakPolarHBondContact O-CB 3.4Å; T354-L358 PolarHBondContact O-N 2.78Å
355	H	54.4	Low	54	Low	108 Å²	108	91.4 Å²	91.4	50%	0.5	52%	0.518	S	S	.	.	H	α-helix	trans	-69.8	-37.4	173.8	-68.2	-49	0	0	0	113.4	I351 A352 L359	I351-H355 VanDerWaalsContact CG2-CD2 3.41Å; I351-H355 WeakPolarHBondContact CG2-CD2 3.39Å; I351-H355 WeakPolarHBondContact CG2-NE2 3.23Å; I351-H355 PolarHBondContact O-CD2 3.04Å; I351-H355 VanDerWaalsContact O-CG 3.27Å; I351-H355 PolarHBondContact O-N 2.8Å; I351-H355 VanDerWaalsContact O-N 3.08Å; A352-H355 PolarHBondContact O-N 2.92Å; H355-L359 WeakPolarHBondContact O-CB 3.4Å; H355-L359 PolarHBondContact O-N 2.84Å
356	I	59.1	Low	56.3	Low	117 Å²	117	88.3 Å²	88.3	60%	0.6	50%	0.498	S	S	*	.	H	α-helix	trans	-67.7	-43.3	176.4	-69.9	164	0	0	0	110	A352 S353 L359 G360	A352-I356 VanDerWaalsContact O-CB 3.3Å; A352-I356 WeakPolarHBondContact O-CB 3.22Å; A352-I356 WeakPolarHBondContact O-CD1 3.48Å; A352-I356 WeakPolarHBondContact O-CG1 3.19Å; A352-I356 PolarHBondContact O-N 3.32Å; S353-I356 PolarHBondContact O-N 3.29Å; I356-L359 PolarHBondContact O-N 3.18Å; I356-G360 PolarHBondContact O-N 3.4Å
357	T	61.7	Low	58.4	Low	85 Å²	85	82.8 Å²	82.8	52%	0.521	46%	0.46	S	S	.	.	H	α-helix	trans	-66.4	-43.4	175.9	55.4	0	0	0	0	111.7	S353 T354 L359 G360 V361	S353-T357 WeakPolarHBondContact O-CG2 3.17Å; S353-T357 PolarHBondContact O-N 3.43Å; S353-T357 PolarHBondContact O-OG1 2.75Å; S353-T357 VanDerWaalsContact O-OG1 3.11Å; T354-T357 WeakPolarHBondContact CA-OG1 3.27Å; T354-T357 PolarHBondContact O-OG1 3.48Å; T357-L359 VanDerWaalsContact C-N 3.34Å; T357-L359 PolarHBondContact O-N 2.86Å; T357-G360 PolarHBondContact O-N 3.24Å; T357-V361 WeakPolarHBondContact O-CG2 3.24Å; T357-V361 PolarHBondContact O-N 3.45Å
358	L	67	Low	60.7	Low	115 Å²	115	81.8 Å²	81.8	60%	0.602	45%	0.45	S	S	*	.	H	α-helix	trans	-61.7	-41.4	175.1	-174.4	69.3	0	0	0	111.9	T354 G360 V361 F362	T354-L358 WeakPolarHBondContact O-CB 3.4Å; T354-L358 PolarHBondContact O-N 2.78Å; L358-G360 VanDerWaalsContact C-N 3.35Å; L358-V361 PolarHBondContact O-N 3.04Å; L358-F362 WeakPolarHBondContact O-CB 3.48Å; L358-F362 PolarHBondContact O-N 2.91Å
359	L	66.7	Low	63.1	Low	101 Å²	101	80 Å²	80	53%	0.529	44%	0.436	S	S	.	.	H	α-helix	trans	-62.9	-42.6	174.4	-178.6	65.7	0	0	0	110.8	H355 I356 T357 F362 I363	H355-L359 WeakPolarHBondContact O-CB 3.4Å; H355-L359 PolarHBondContact O-N 2.84Å; I356-L359 PolarHBondContact O-N 3.18Å; T357-L359 VanDerWaalsContact C-N 3.34Å; T357-L359 PolarHBondContact O-N 2.86Å; L359-F362 PolarHBondContact O-N 2.94Å; L359-I363 HydrophobicContact CD1-CD1 4.25Å; L359-I363 HydrophobicContact CD1-CG1 4.47Å; L359-I363 HydrophobicContact CG-CD1 3.93Å; L359-I363 WeakPolarHBondContact O-CB 3.24Å; L359-I363 WeakPolarHBondContact O-CG1 3.39Å; L359-I363 PolarHBondContact O-N 2.96Å
360	G	69.7	Low	65.3	Low	30 Å²	30	76.1 Å²	76.1	31%	0.309	42%	0.415	S	S	.	.	H	α-helix	trans	-58.9	-49	173.7	0	0	0	0	0	112.4	I356 T357 L358 F362 I363 L364	I356-G360 PolarHBondContact O-N 3.4Å; T357-G360 PolarHBondContact O-N 3.24Å; L358-G360 VanDerWaalsContact C-N 3.35Å; G360-F362 VanDerWaalsContact C-N 3.34Å; G360-F362 PolarHBondContact O-N 2.71Å; G360-I363 PolarHBondContact O-N 2.86Å; G360-L364 VanDerWaalsContact O-CG 3.28Å; G360-L364 WeakPolarHBondContact O-CG 3.25Å; G360-L364 PolarHBondContact O-N 2.95Å
361	V	70.4	Confident	67.1	Low	88 Å²	88	72.1 Å²	72.1	53%	0.533	39%	0.388	S	S	.	.	H	α-helix	trans	-60.8	-42.3	176.2	172.9	0	0	0	0	111.3	T357 L358 L364 F365	T357-V361 WeakPolarHBondContact O-CG2 3.24Å; T357-V361 PolarHBondContact O-N 3.45Å; L358-V361 PolarHBondContact O-N 3.04Å; V361-L364 PolarHBondContact O-N 2.89Å; V361-F365 WeakPolarHBondContact O-CB 3.31Å; V361-F365 PolarHBondContact O-N 3.04Å
362	F	73.5	Confident	69.2	Low	136 Å²	136	71 Å²	71	60%	0.596	38%	0.383	S	S	*	.	H	α-helix	trans	-63.7	-43.2	176.8	-178.6	-96.8	0	0	0	112	L358 L359 G360 L364 F365 A366	L358-F362 WeakPolarHBondContact O-CB 3.48Å; L358-F362 PolarHBondContact O-N 2.91Å; L359-F362 PolarHBondContact O-N 2.94Å; G360-F362 VanDerWaalsContact C-N 3.34Å; G360-F362 PolarHBondContact O-N 2.71Å; F362-L364 VanDerWaalsContact C-N 3.34Å; F362-L364 PolarHBondContact O-N 3.14Å; F362-F365 PolarHBondContact O-N 2.81Å; F362-A366 VanDerWaalsContact O-CB 3.27Å; F362-A366 WeakPolarHBondContact O-CB 3.47Å; F362-A366 PolarHBondContact O-N 3.28Å
363	I	73.9	Confident	71	Confident	27 Å²	27	73.3 Å²	73.3	14%	0.138	39%	0.387	C	S	.	.	H	α-helix	trans	-62.5	-42.4	175.8	-70.8	167.4	0	0	0	110.4	I276 L323 L359 G360 A366 S367	I276-I363 HydrophobicContact CG2-CG2 4.4Å; L323-I363 HydrophobicContact CD2-CG2 3.41Å; L323-I363 VanDerWaalsContact CD2-CG2 3.41Å; L359-I363 HydrophobicContact CD1-CD1 4.25Å; L359-I363 HydrophobicContact CD1-CG1 4.47Å; L359-I363 HydrophobicContact CG-CD1 3.93Å; L359-I363 WeakPolarHBondContact O-CB 3.24Å; L359-I363 WeakPolarHBondContact O-CG1 3.39Å; L359-I363 PolarHBondContact O-N 2.96Å; G360-I363 PolarHBondContact O-N 2.86Å; I363-A366 PolarHBondContact O-N 3.34Å; I363-S367 VanDerWaalsContact O-CB 3.28Å; I363-S367 WeakPolarHBondContact O-CB 3.27Å; I363-S367 PolarHBondContact O-N 2.86Å; I363-S367 PolarHBondContact O-OG 3.31Å
364	L	73.6	Confident	72.5	Confident	47 Å²	47	70 Å²	70	25%	0.246	36%	0.364	C	S	.	.	H	α-helix	trans	-63.5	-46	176.1	-70.2	171.2	0	0	0	111.5	G360 V361 F362 S367 F368 L603 L607	G360-L364 VanDerWaalsContact O-CG 3.28Å; G360-L364 WeakPolarHBondContact O-CG 3.25Å; G360-L364 PolarHBondContact O-N 2.95Å; V361-L364 PolarHBondContact O-N 2.89Å; F362-L364 VanDerWaalsContact C-N 3.34Å; F362-L364 PolarHBondContact O-N 3.14Å; L364-S367 WeakPolarHBondContact CA-OG 3.5Å; L364-S367 PolarHBondContact O-N 3.29Å; L364-S367 PolarHBondContact O-OG 3.42Å; L364-F368 PolarHBondContact O-N 2.95Å; L364-L603 HydrophobicContact CD2-CD1 4.11Å; L364-L603 HydrophobicContact CD2-CD2 3.91Å; L364-L603 HydrophobicContact CD2-CG 4.3Å; L364-L607 HydrophobicContact CD1-CD1 3.89Å; L364-L607 HydrophobicContact CD1-CD2 3.68Å; L364-L607 HydrophobicContact CD1-CG 4.45Å; L364-L607 HydrophobicContact CD2-CD1 4.11Å
365	F	76.7	Confident	73.9	Confident	127 Å²	127	69.5 Å²	69.5	56%	0.557	36%	0.358	S	S	*	.	H	α-helix	trans	-63.1	-45.8	177	-174.9	-98.3	0	0	0	111.9	V361 F362 S367 F368 I369	V361-F365 WeakPolarHBondContact O-CB 3.31Å; V361-F365 PolarHBondContact O-N 3.04Å; F362-F365 PolarHBondContact O-N 2.81Å; F365-S367 VanDerWaalsContact C-N 3.3Å; F365-S367 PolarHBondContact O-N 3.39Å; F365-F368 WeakPolarHBondContact O-CB 3.48Å; F365-F368 PolarHBondContact O-N 3.18Å; F365-F368 VanDerWaalsContact O-N 3.15Å; F365-I369 HydrophobicContact CD1-CG1 4.25Å; F365-I369 HydrophobicContact CE1-CD1 4.29Å; F365-I369 HydrophobicContact CE1-CG1 3.86Å; F365-I369 HydrophobicContact CZ-CD1 4.05Å; F365-I369 HydrophobicContact CZ-CG1 4.11Å; F365-I369 WeakPolarHBondContact O-CG1 3.4Å; F365-I369 PolarHBondContact O-N 3.03Å
366	A	76.8	Confident	75.4	Confident	23 Å²	23	73.5 Å²	73.5	19%	0.19	37%	0.368	C	S	.	.	H	α-helix	trans	-59.7	-42.3	174.9	0	0	0	0	0	111.3	F362 I363 F368 I369 I370	F362-A366 VanDerWaalsContact O-CB 3.27Å; F362-A366 WeakPolarHBondContact O-CB 3.47Å; F362-A366 PolarHBondContact O-N 3.28Å; I363-A366 PolarHBondContact O-N 3.34Å; A366-F368 VanDerWaalsContact C-N 3.33Å; A366-F368 PolarHBondContact O-N 3.47Å; A366-I369 PolarHBondContact O-N 3.24Å; A366-I370 WeakPolarHBondContact O-CB 3.49Å; A366-I370 WeakPolarHBondContact O-CD1 3.47Å; A366-I370 VanDerWaalsContact O-CG1 3.24Å; A366-I370 WeakPolarHBondContact O-CG1 3.36Å; A366-I370 PolarHBondContact O-N 3.05Å
367	S	76.7	Confident	76.5	Confident	6 Å²	6	69.2 Å²	69.2	4%	0.042	35%	0.347	C	S	.	.	H	α-helix	trans	-62.7	-39.2	175.6	79.3	0	0	0	0	112	I363 L364 F365 I370 I371	I363-S367 VanDerWaalsContact O-CB 3.28Å; I363-S367 WeakPolarHBondContact O-CB 3.27Å; I363-S367 PolarHBondContact O-N 2.86Å; I363-S367 PolarHBondContact O-OG 3.31Å; L364-S367 WeakPolarHBondContact CA-OG 3.5Å; L364-S367 PolarHBondContact O-N 3.29Å; L364-S367 PolarHBondContact O-OG 3.42Å; F365-S367 VanDerWaalsContact C-N 3.3Å; F365-S367 PolarHBondContact O-N 3.39Å; S367-I370 WeakPolarHBondContact O-CB 3.49Å; S367-I370 PolarHBondContact O-N 3.49Å; S367-I371 VanDerWaalsContact O-CD1 3.29Å; S367-I371 WeakPolarHBondContact O-CD1 3.28Å; S367-I371 WeakPolarHBondContact O-CG1 3.39Å; S367-I371 PolarHBondContact O-N 3.39Å
368	F	79.4	Confident	77.6	Confident	108 Å²	108	67.4 Å²	67.4	47%	0.474	33%	0.331	S	S	.	.	H	α-helix	trans	-64.1	-46.2	177.1	-178.1	-105.2	0	0	0	112.2	L364 F365 A366 I370 I371 L372	L364-F368 PolarHBondContact O-N 2.95Å; F365-F368 WeakPolarHBondContact O-CB 3.48Å; F365-F368 PolarHBondContact O-N 3.18Å; F365-F368 VanDerWaalsContact O-N 3.15Å; A366-F368 VanDerWaalsContact C-N 3.33Å; A366-F368 PolarHBondContact O-N 3.47Å; F368-I370 VanDerWaalsContact C-N 3.3Å; F368-I370 PolarHBondContact O-N 3.39Å; F368-I371 PolarHBondContact O-N 3.43Å; F368-L372 HydrophobicContact CD1-CD1 3.98Å; F368-L372 HydrophobicContact CD1-CG 4.48Å; F368-L372 HydrophobicContact CE1-CD1 3.43Å; F368-L372 VanDerWaalsContact CE1-CD1 3.43Å; F368-L372 HydrophobicContact CE1-CG 4.13Å; F368-L372 HydrophobicContact CE2-CG 4.5Å; F368-L372 HydrophobicContact CZ-CD1 3.79Å; F368-L372 HydrophobicContact CZ-CD2 4.29Å; F368-L372 HydrophobicContact CZ-CG 4.14Å; F368-L372 WeakPolarHBondContact O-CG 3.36Å; F368-L372 PolarHBondContact O-N 2.8Å
369	I	81.1	Confident	78.5	Confident	86 Å²	86	65.6 Å²	65.6	44%	0.441	32%	0.322	S	S	.	.	H	α-helix	trans	-60.7	-42	175.3	-63.1	-59.8	0	0	0	111.2	F365 A366 L372 Y373	F365-I369 HydrophobicContact CD1-CG1 4.25Å; F365-I369 HydrophobicContact CE1-CD1 4.29Å; F365-I369 HydrophobicContact CE1-CG1 3.86Å; F365-I369 HydrophobicContact CZ-CD1 4.05Å; F365-I369 HydrophobicContact CZ-CG1 4.11Å; F365-I369 WeakPolarHBondContact O-CG1 3.4Å; F365-I369 PolarHBondContact O-N 3.03Å; A366-I369 PolarHBondContact O-N 3.24Å; I369-L372 PolarHBondContact O-N 2.66Å; I369-Y373 WeakPolarHBondContact O-CB 3Å; I369-Y373 PolarHBondContact O-N 2.89Å
370	I	82.2	Confident	79.2	Confident	22 Å²	22	63.6 Å²	63.6	11%	0.113	32%	0.316	C	S	.	.	H	α-helix	trans	-61.9	-42.7	176.2	-76	169.8	0	0	0	111.4	I280 V283 I316 L319 A366 S367 F368 Y373 G374	I280-I370 HydrophobicContact CG1-CD1 4.26Å; V283-I370 HydrophobicContact CB-CG2 4.43Å; V283-I370 HydrophobicContact CG1-CB 4.43Å; V283-I370 HydrophobicContact CG1-CD1 4.37Å; V283-I370 HydrophobicContact CG1-CG1 3.98Å; V283-I370 HydrophobicContact CG1-CG2 3.86Å; V283-I370 HydrophobicContact CG2-CG2 4.05Å; I316-I370 HydrophobicContact CD1-CG2 4.23Å; I316-I370 WeakPolarHBondContact CD1-O 3.33Å; I316-I370 HydrophobicContact CG1-CG2 3.65Å; L319-I370 HydrophobicContact CD2-CD1 4.08Å; L319-I370 HydrophobicContact CD2-CG2 4.02Å; A366-I370 WeakPolarHBondContact O-CB 3.49Å; A366-I370 WeakPolarHBondContact O-CD1 3.47Å; A366-I370 VanDerWaalsContact O-CG1 3.24Å; A366-I370 WeakPolarHBondContact O-CG1 3.36Å; A366-I370 PolarHBondContact O-N 3.05Å; S367-I370 WeakPolarHBondContact O-CB 3.49Å; S367-I370 PolarHBondContact O-N 3.49Å; F368-I370 VanDerWaalsContact C-N 3.3Å; F368-I370 PolarHBondContact O-N 3.39Å; I370-Y373 PolarHBondContact O-N 3.35Å; I370-G374 PolarHBondContact O-N 3.15Å
371	I	81	Confident	79.8	Confident	11 Å²	11	62.4 Å²	62.4	6%	0.056	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-48	176.6	-69	157.5	0	0	0	110.8	I316 L320 S367 F368 Y373 G374 I375 V596	I316-I371 HydrophobicContact CG2-CB 4.35Å; I316-I371 HydrophobicContact CG2-CG1 3.58Å; L320-I371 HydrophobicContact CD1-CD1 3.99Å; L320-I371 HydrophobicContact CD1-CG1 4.16Å; L320-I371 HydrophobicContact CD2-CD1 3.66Å; L320-I371 HydrophobicContact CG-CD1 4.02Å; L320-I371 HydrophobicContact CG-CG1 4.41Å; S367-I371 VanDerWaalsContact O-CD1 3.29Å; S367-I371 WeakPolarHBondContact O-CD1 3.28Å; S367-I371 WeakPolarHBondContact O-CG1 3.39Å; S367-I371 PolarHBondContact O-N 3.39Å; F368-I371 PolarHBondContact O-N 3.43Å; I371-Y373 VanDerWaalsContact C-N 3.29Å; I371-Y373 PolarHBondContact O-N 3.22Å; I371-G374 WeakPolarHBondContact O-CA 3.41Å; I371-G374 PolarHBondContact O-N 2.87Å; I371-G374 VanDerWaalsContact O-N 3.14Å; I371-I375 HydrophobicContact CG2-CD1 3.77Å; I371-I375 HydrophobicContact CG2-CG1 4.42Å; I371-I375 WeakPolarHBondContact O-CG1 3.43Å; I371-I375 PolarHBondContact O-N 2.91Å; I371-V596 HydrophobicContact CG2-CG1 4.17Å
372	L	82.6	Confident	80.4	Confident	85 Å²	85	62.3 Å²	62.3	45%	0.445	30%	0.295	S	S	.	.	H	α-helix	trans	-60.9	-39.3	177.8	-70.1	-179.4	0	0	0	112.1	F368 I369 I375 R376	F368-L372 HydrophobicContact CD1-CD1 3.98Å; F368-L372 HydrophobicContact CD1-CG 4.48Å; F368-L372 HydrophobicContact CE1-CD1 3.43Å; F368-L372 VanDerWaalsContact CE1-CD1 3.43Å; F368-L372 HydrophobicContact CE1-CG 4.13Å; F368-L372 HydrophobicContact CE2-CG 4.5Å; F368-L372 HydrophobicContact CZ-CD1 3.79Å; F368-L372 HydrophobicContact CZ-CD2 4.29Å; F368-L372 HydrophobicContact CZ-CG 4.14Å; F368-L372 WeakPolarHBondContact O-CG 3.36Å; F368-L372 PolarHBondContact O-N 2.8Å; I369-L372 PolarHBondContact O-N 2.66Å; L372-I375 PolarHBondContact O-N 3.15Å; L372-R376 WeakPolarHBondContact O-CB 3.24Å; L372-R376 PolarHBondContact O-N 3.33Å
373	Y	82.9	Confident	80.8	Confident	72 Å²	72	60.1 Å²	60.1	28%	0.282	29%	0.289	S	S	.	.	H	α-helix	trans	-62.1	-45.5	173.7	177.4	-103.9	0	0	0	111.7	L312 I369 I370 I371 R376 V377	L312-Y373 HydrophobicContact CD1-CD1 3.99Å; L312-Y373 HydrophobicContact CD1-CE1 3.88Å; L312-Y373 HydrophobicContact CD2-CD1 3.7Å; L312-Y373 HydrophobicContact CD2-CE1 3.56Å; L312-Y373 HydrophobicContact CG-CD1 4.43Å; L312-Y373 HydrophobicContact CG-CE1 4.4Å; I369-Y373 WeakPolarHBondContact O-CB 3Å; I369-Y373 PolarHBondContact O-N 2.89Å; I370-Y373 PolarHBondContact O-N 3.35Å; I371-Y373 VanDerWaalsContact C-N 3.29Å; I371-Y373 PolarHBondContact O-N 3.22Å; Y373-R376 PolarHBondContact O-N 3.31Å; Y373-V377 HydrophobicContact CE1-CG2 4.07Å; Y373-V377 HydrophobicContact CE2-CG2 4.07Å; Y373-V377 WeakPolarHBondContact O-CG2 3.16Å; Y373-V377 PolarHBondContact O-N 2.89Å
374	G	81.6	Confident	81	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-52.6	-54.2	172.4	0	0	0	0	0	113.8	I370 I371 R376 V377 W378	I370-G374 PolarHBondContact O-N 3.15Å; I371-G374 WeakPolarHBondContact O-CA 3.41Å; I371-G374 PolarHBondContact O-N 2.87Å; I371-G374 VanDerWaalsContact O-N 3.14Å; G374-R376 VanDerWaalsContact C-N 3.29Å; G374-R376 PolarHBondContact O-N 3.45Å; G374-V377 PolarHBondContact O-N 3.23Å; G374-W378 PolarHBondContact O-N 3.34Å
375	I	81.9	Confident	81.2	Confident	65 Å²	65	60.5 Å²	60.5	33%	0.333	29%	0.288	S	S	.	.	H	α-helix	trans	-60.3	-41.4	179.8	-66.8	168.5	0	0	0	110.4	I371 L372 W378 L379	I371-I375 HydrophobicContact CG2-CD1 3.77Å; I371-I375 HydrophobicContact CG2-CG1 4.42Å; I371-I375 WeakPolarHBondContact O-CG1 3.43Å; I371-I375 PolarHBondContact O-N 2.91Å; L372-I375 PolarHBondContact O-N 3.15Å; I375-W378 PolarHBondContact O-N 3.41Å; I375-L379 WeakPolarHBondContact O-CB 3.36Å; I375-L379 PolarHBondContact O-N 2.77Å
376	R	85.8	Confident	81.1	Confident	193 Å²	193	57.4 Å²	57.4	73%	0.728	28%	0.282	S	S	*	.	H	α-helix	trans	-62.6	-43.8	177.5	-179.8	-179.6	172.8	135.2	-0.2	112.4	L372 Y373 G374 S380	L372-R376 WeakPolarHBondContact O-CB 3.24Å; L372-R376 PolarHBondContact O-N 3.33Å; Y373-R376 PolarHBondContact O-N 3.31Å; G374-R376 VanDerWaalsContact C-N 3.29Å; G374-R376 PolarHBondContact O-N 3.45Å; R376-S380 WeakPolarHBondContact O-CB 3.45Å; R376-S380 PolarHBondContact O-N 2.84Å
377	V	82.2	Confident	81.1	Confident	26 Å²	26	63 Å²	63	16%	0.158	30%	0.302	C	S	.	.	H	α-helix	trans	-65.7	-46.2	178.3	172.4	0	0	0	0	110.4	L312 Y373 G374 S380 F381	L312-V377 HydrophobicContact CD2-CB 3.74Å; L312-V377 HydrophobicContact CD2-CG1 4.07Å; L312-V377 HydrophobicContact CD2-CG2 3.74Å; Y373-V377 HydrophobicContact CE1-CG2 4.07Å; Y373-V377 HydrophobicContact CE2-CG2 4.07Å; Y373-V377 WeakPolarHBondContact O-CG2 3.16Å; Y373-V377 PolarHBondContact O-N 2.89Å; G374-V377 PolarHBondContact O-N 3.23Å; V377-S380 PolarHBondContact O-N 3.14Å; V377-F381 PolarHBondContact O-N 2.78Å; V377-F381 VanDerWaalsContact O-N 3.09Å
378	W	84.5	Confident	81	Confident	47 Å²	47	63.6 Å²	63.6	18%	0.178	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-46.5	175.7	174.3	77.9	0	0	0	112.1	S309 L313 G374 I375 S380 F381 F382 L593	S309-W378 WeakPolarHBondContact OG-CA 3.32Å; S309-W378 WeakPolarHBondContact OG-CB 3.27Å; L313-W378 HydrophobicContact CD1-CB 4.15Å; L313-W378 HydrophobicContact CD1-CG 4.02Å; G374-W378 PolarHBondContact O-N 3.34Å; I375-W378 PolarHBondContact O-N 3.41Å; W378-S380 VanDerWaalsContact C-N 3.28Å; W378-S380 PolarHBondContact O-N 3.35Å; W378-F381 WeakPolarHBondContact O-CB 3.3Å; W378-F381 PolarHBondContact O-N 3.43Å; W378-F381 VanDerWaalsContact O-N 3.1Å; W378-F382 HydrophobicContact CH2-CG 4.42Å; W378-F382 HydrophobicContact CZ2-CB 4.36Å; W378-F382 HydrophobicContact CZ2-CD2 4.2Å; W378-F382 HydrophobicContact CZ2-CG 4.34Å; W378-F382 WeakPolarHBondContact O-CB 3.3Å; W378-F382 PolarHBondContact O-N 3.39Å; W378-L593 HydrophobicContact CD2-CD2 4.03Å; W378-L593 HydrophobicContact CE3-CD1 4.39Å; W378-L593 HydrophobicContact CE3-CD2 3.93Å; W378-L593 HydrophobicContact CH2-CD2 3.37Å; W378-L593 HydrophobicContact CZ2-CD2 3.47Å; W378-L593 VanDerWaalsContact CZ2-CD2 3.47Å; W378-L593 HydrophobicContact CZ3-CD2 3.61Å
379	L	84.6	Confident	80.7	Confident	78 Å²	78	61.8 Å²	61.8	41%	0.408	30%	0.299	S	S	.	.	H	α-helix	trans	-61.3	-38.7	178.5	-175.7	64.4	0	0	0	111.4	I375 F382 L383	I375-L379 WeakPolarHBondContact O-CB 3.36Å; I375-L379 PolarHBondContact O-N 2.77Å; L379-F382 HydrophobicContact CD1-CD1 4.48Å; L379-F382 PolarHBondContact O-N 3.01Å; L379-L383 HydrophobicContact CD1-CD1 4.45Å; L379-L383 HydrophobicContact CD1-CG 4.34Å; L379-L383 HydrophobicContact CG-CD1 4.14Å; L379-L383 HydrophobicContact CG-CG 4.45Å; L379-L383 WeakPolarHBondContact O-CB 3.37Å; L379-L383 VanDerWaalsContact O-CG 3.23Å; L379-L383 WeakPolarHBondContact O-CG 3.35Å; L379-L383 PolarHBondContact O-N 2.98Å
380	S	83	Confident	80.2	Confident	58 Å²	58	62.4 Å²	62.4	41%	0.406	30%	0.3	S	S	.	.	H	α-helix	trans	-63.6	-40.5	175	-174	0	0	0	0	112.4	R376 V377 W378 K384	R376-S380 WeakPolarHBondContact O-CB 3.45Å; R376-S380 PolarHBondContact O-N 2.84Å; V377-S380 PolarHBondContact O-N 3.14Å; W378-S380 VanDerWaalsContact C-N 3.28Å; W378-S380 PolarHBondContact O-N 3.35Å; S380-K384 WeakPolarHBondContact O-CG 3.49Å; S380-K384 PolarHBondContact O-N 3.27Å
381	F	82.2	Confident	79.7	Confident	5 Å²	5	67.9 Å²	67.9	2%	0.022	32%	0.323	C	S	.	.	H	α-helix	trans	-64.9	-51.3	173.3	163	-105	0	0	0	111.1	I302 D305 V377 W378 L383 K384 D385	I302-F381 HydrophobicContact CG2-CE2 4.05Å; D305-F381 HydrophobicContact CB-CD2 4.25Å; V377-F381 PolarHBondContact O-N 2.78Å; V377-F381 VanDerWaalsContact O-N 3.09Å; W378-F381 WeakPolarHBondContact O-CB 3.3Å; W378-F381 PolarHBondContact O-N 3.43Å; W378-F381 VanDerWaalsContact O-N 3.1Å; F381-L383 VanDerWaalsContact C-N 3.31Å; F381-L383 PolarHBondContact O-N 2.92Å; F381-K384 WeakPolarHBondContact O-CB 3.35Å; F381-K384 PolarHBondContact O-N 3.39Å; F381-D385 HydrophobicContact CE2-CB 4.38Å; F381-D385 HydrophobicContact CZ-CB 4.32Å; F381-D385 PolarHBondContact O-N 2.99Å
382	F	81.6	Confident	79.1	Confident	87 Å²	87	70.7 Å²	70.7	38%	0.382	34%	0.341	S	S	.	.	H	α-helix	trans	-54.9	-44.9	-179.8	176.2	-100	0	0	0	112.2	W378 L379 K384 D385 C386	W378-F382 HydrophobicContact CH2-CG 4.42Å; W378-F382 HydrophobicContact CZ2-CB 4.36Å; W378-F382 HydrophobicContact CZ2-CD2 4.2Å; W378-F382 HydrophobicContact CZ2-CG 4.34Å; W378-F382 WeakPolarHBondContact O-CB 3.3Å; W378-F382 PolarHBondContact O-N 3.39Å; L379-F382 HydrophobicContact CD1-CD1 4.48Å; L379-F382 PolarHBondContact O-N 3.01Å; F382-K384 VanDerWaalsContact C-N 3.32Å; F382-K384 PolarHBondContact O-N 2.95Å; F382-D385 PolarHBondContact O-N 3.11Å; F382-C386 WeakPolarHBondContact O-CB 3.49Å; F382-C386 PolarHBondContact O-N 3.4Å
383	L	82	Confident	78.2	Confident	89 Å²	89	72 Å²	72	47%	0.466	35%	0.347	S	S	.	.	H	α-helix	trans	-65.1	-33.1	177.7	-71.3	172.7	0	0	0	113	L379 F381 K387	L379-L383 HydrophobicContact CD1-CD1 4.45Å; L379-L383 HydrophobicContact CD1-CG 4.34Å; L379-L383 HydrophobicContact CG-CD1 4.14Å; L379-L383 HydrophobicContact CG-CG 4.45Å; L379-L383 WeakPolarHBondContact O-CB 3.37Å; L379-L383 VanDerWaalsContact O-CG 3.23Å; L379-L383 WeakPolarHBondContact O-CG 3.35Å; L379-L383 PolarHBondContact O-N 2.98Å; F381-L383 VanDerWaalsContact C-N 3.31Å; F381-L383 PolarHBondContact O-N 2.92Å; L383-K387 WeakPolarHBondContact O-CB 3.48Å; L383-K387 VanDerWaalsContact O-CG 3.27Å; L383-K387 WeakPolarHBondContact O-CG 3.26Å; L383-K387 PolarHBondContact O-N 2.99Å
384	K	78.9	Confident	77.5	Confident	68 Å²	68	75.1 Å²	75.1	30%	0.296	36%	0.362	S	S	.	.	H	α-helix	trans	-71.9	-45.1	175.5	-72.5	175.6	-170.6	175.6	0	111.3	D305 S380 F381 F382 K387 S388	D305-K384 IonicContact OD2-NZ 3.38Å; D305-K384 PolarHBondContact OD2-NZ 3.27Å; S380-K384 WeakPolarHBondContact O-CG 3.49Å; S380-K384 PolarHBondContact O-N 3.27Å; F381-K384 WeakPolarHBondContact O-CB 3.35Å; F381-K384 PolarHBondContact O-N 3.39Å; F382-K384 VanDerWaalsContact C-N 3.32Å; F382-K384 PolarHBondContact O-N 2.95Å; K384-K387 PolarHBondContact O-N 3.47Å; K384-S388 WeakPolarHBondContact O-CB 3.28Å; K384-S388 PolarHBondContact O-N 2.85Å
385	D	77.7	Confident	76.6	Confident	15 Å²	15	80.8 Å²	80.8	8%	0.08	39%	0.393	C	S	.	.	H	α-helix	trans	-63.1	-48.4	179.1	-171.8	66.2	0	0	0	110.9	F381 F382 K387 S388 Q389	F381-D385 HydrophobicContact CE2-CB 4.38Å; F381-D385 HydrophobicContact CZ-CB 4.32Å; F381-D385 PolarHBondContact O-N 2.99Å; F382-D385 PolarHBondContact O-N 3.11Å; D385-K387 VanDerWaalsContact C-N 3.34Å; D385-K387 PolarHBondContact O-N 2.82Å; D385-S388 CarbonylContact O-C 3.4Å; D385-S388 WeakPolarHBondContact O-CA 3.45Å; D385-S388 VanDerWaalsContact O-CB 3.27Å; D385-S388 WeakPolarHBondContact O-CB 2.92Å; D385-S388 PolarHBondContact O-N 3.28Å; D385-Q389 WeakPolarHBondContact O-CG 3.37Å; D385-Q389 PolarHBondContact O-N 3.46Å
386	C	75.5	Confident	75.8	Confident	62 Å²	62	82.7 Å²	82.7	42%	0.419	41%	0.407	S	S	.	.	H	α-helix	trans	-55.6	-45.4	175.6	-179.1	0	0	0	0	112.6	F382 S388 Q389 Q390	F382-C386 WeakPolarHBondContact O-CB 3.49Å; F382-C386 PolarHBondContact O-N 3.4Å; C386-S388 VanDerWaalsContact C-N 3.33Å; C386-S388 PolarHBondContact O-N 2.89Å; C386-Q389 PolarHBondContact O-N 2.73Å; C386-Q390 WeakPolarHBondContact O-CB 3.46Å; C386-Q390 PolarHBondContact O-N 3.05Å
387	K	75.3	Confident	74.3	Confident	141 Å²	141	82 Å²	82	61%	0.613	41%	0.405	S	S	*	.	H	α-helix	trans	-63.1	-38.1	174.3	-75.9	178.9	-178.4	-173	0	112.6	L383 K384 D385 K391	L383-K387 WeakPolarHBondContact O-CB 3.48Å; L383-K387 VanDerWaalsContact O-CG 3.27Å; L383-K387 WeakPolarHBondContact O-CG 3.26Å; L383-K387 PolarHBondContact O-N 2.99Å; K384-K387 PolarHBondContact O-N 3.47Å; D385-K387 VanDerWaalsContact C-N 3.34Å; D385-K387 PolarHBondContact O-N 2.82Å; K387-K391 WeakPolarHBondContact O-CB 3.4Å; K387-K391 PolarHBondContact O-N 3.11Å
388	S	75.4	Confident	72.4	Confident	17 Å²	17	84.9 Å²	84.9	12%	0.119	42%	0.424	C	S	.	.	H	α-helix	trans	-63.9	-48.9	176.7	-164.7	0	0	0	0	111	K384 D385 C386 Q390 K391 T392	K384-S388 WeakPolarHBondContact O-CB 3.28Å; K384-S388 PolarHBondContact O-N 2.85Å; D385-S388 CarbonylContact O-C 3.4Å; D385-S388 WeakPolarHBondContact O-CA 3.45Å; D385-S388 VanDerWaalsContact O-CB 3.27Å; D385-S388 WeakPolarHBondContact O-CB 2.92Å; D385-S388 PolarHBondContact O-N 3.28Å; C386-S388 VanDerWaalsContact C-N 3.33Å; C386-S388 PolarHBondContact O-N 2.89Å; S388-Q390 PolarHBondContact O-N 3.13Å; S388-K391 WeakPolarHBondContact O-CB 3.09Å; S388-K391 PolarHBondContact O-N 3.46Å; S388-T392 PolarHBondContact O-N 3.21Å; S388-T392 PolarHBondContact O-OG1 3.34Å; S388-T392 VanDerWaalsContact O-OG1 3.07Å
389	Q	73.6	Confident	70.6	Confident	70 Å²	70	86.8 Å²	86.8	33%	0.327	44%	0.444	S	S	.	.	H	α-helix	trans	-62.3	-42	177.8	-64.6	-65.5	-9.3	0	0	111.6	D385 C386 K391 T392 L393	D385-Q389 WeakPolarHBondContact O-CG 3.37Å; D385-Q389 PolarHBondContact O-N 3.46Å; C386-Q389 PolarHBondContact O-N 2.73Å; Q389-K391 VanDerWaalsContact C-N 3.3Å; Q389-K391 PolarHBondContact O-N 3.08Å; Q389-T392 PolarHBondContact O-N 3.18Å; Q389-L393 WeakPolarHBondContact O-CB 3.36Å; Q389-L393 WeakPolarHBondContact O-CG 3.35Å; Q389-L393 PolarHBondContact O-N 3.19Å
390	Q	70.4	Confident	68.4	Low	100 Å²	100	90 Å²	90	47%	0.467	46%	0.457	S	S	.	.	H	α-helix	trans	-60.8	-39.8	175.3	-171.1	-175.6	9.4	0	0	111.9	C386 S388 K394	C386-Q390 WeakPolarHBondContact O-CB 3.46Å; C386-Q390 PolarHBondContact O-N 3.05Å; S388-Q390 PolarHBondContact O-N 3.13Å; Q390-K394 WeakPolarHBondContact O-CG 3.49Å; Q390-K394 PolarHBondContact O-N 2.8Å
391	K	71.4	Confident	65.9	Low	137 Å²	137	92.4 Å²	92.4	60%	0.596	47%	0.469	S	S	*	.	H	α-helix	trans	-65.5	-49.1	176.1	-174.9	178.1	177.7	-179.7	0	110.9	K387 S388 Q389 L393 K394 D395	K387-K391 WeakPolarHBondContact O-CB 3.4Å; K387-K391 PolarHBondContact O-N 3.11Å; S388-K391 WeakPolarHBondContact O-CB 3.09Å; S388-K391 PolarHBondContact O-N 3.46Å; Q389-K391 VanDerWaalsContact C-N 3.3Å; Q389-K391 PolarHBondContact O-N 3.08Å; K391-L393 VanDerWaalsContact C-N 3.29Å; K391-L393 PolarHBondContact O-N 3.44Å; K391-K394 PolarHBondContact O-N 3.29Å; K391-K394 VanDerWaalsContact O-N 3.14Å; K391-D395 WeakPolarHBondContact O-CB 3.34Å; K391-D395 VanDerWaalsContact O-CG 3.22Å; K391-D395 PolarHBondContact O-N 3.22Å
392	T	69	Low	63.4	Low	70 Å²	70	101.7 Å²	101.7	43%	0.429	51%	0.51	S	S	.	.	H	α-helix	trans	-57.3	-43.1	176.6	-53.3	0	0	0	0	111.7	S388 Q389 D395 T396	S388-T392 PolarHBondContact O-N 3.21Å; S388-T392 PolarHBondContact O-OG1 3.34Å; S388-T392 VanDerWaalsContact O-OG1 3.07Å; Q389-T392 PolarHBondContact O-N 3.18Å; T392-D395 PolarHBondContact O-N 3.19Å; T392-T396 WeakPolarHBondContact O-CB 3.37Å; T392-T396 PolarHBondContact O-N 2.85Å; T392-T396 PolarHBondContact O-OG1 3.19Å
393	L	63	Low	60.9	Low	111 Å²	111	104.1 Å²	104.1	58%	0.581	53%	0.526	S	S	*	.	H	α-helix	trans	-61.3	-45.7	175.8	-84.3	157.7	0	0	0	112.1	Q389 K391 T396 W397	Q389-L393 WeakPolarHBondContact O-CB 3.36Å; Q389-L393 WeakPolarHBondContact O-CG 3.35Å; Q389-L393 PolarHBondContact O-N 3.19Å; K391-L393 VanDerWaalsContact C-N 3.29Å; K391-L393 PolarHBondContact O-N 3.44Å; L393-T396 PolarHBondContact O-N 3.17Å; L393-W397 WeakPolarHBondContact O-CB 3.05Å; L393-W397 PolarHBondContact O-N 2.99Å
394	K	67.7	Low	58.3	Low	138 Å²	138	105.6 Å²	105.6	60%	0.6	54%	0.54	S	S	*	.	H	α-helix	trans	-61.9	-43.1	175.9	-75.7	177.7	178.4	-176.4	0	112	Q390 K391 T396 W397	Q390-K394 WeakPolarHBondContact O-CG 3.49Å; Q390-K394 PolarHBondContact O-N 2.8Å; K391-K394 PolarHBondContact O-N 3.29Å; K391-K394 VanDerWaalsContact O-N 3.14Å; K394-T396 VanDerWaalsContact C-N 3.32Å; K394-T396 PolarHBondContact O-N 2.96Å; K394-W397 PolarHBondContact O-N 3.43Å
395	D	63.1	Low	55.9	Low	119 Å²	119	108.1 Å²	108.1	64%	0.636	57%	0.565	S	S	*	*	H	α-helix	trans	-69.7	-30.5	-179.1	-65	-14.2	0	0	0	111.9	K391 T392	K391-D395 WeakPolarHBondContact O-CB 3.34Å; K391-D395 VanDerWaalsContact O-CG 3.22Å; K391-D395 PolarHBondContact O-N 3.22Å; T392-D395 PolarHBondContact O-N 3.19Å
396	T	64.4	Low	53.4	Low	105 Å²	105	115.1 Å²	115.1	64%	0.644	60%	0.602	S	S	*	*	H	α-helix	trans	-90.7	-12.8	179.2	-41.3	0	0	0	0	112.5	T392 L393 K394 P398	T392-T396 WeakPolarHBondContact O-CB 3.37Å; T392-T396 PolarHBondContact O-N 2.85Å; T392-T396 PolarHBondContact O-OG1 3.19Å; L393-T396 PolarHBondContact O-N 3.17Å; K394-T396 VanDerWaalsContact C-N 3.32Å; K394-T396 PolarHBondContact O-N 2.96Å; T396-P398 WeakPolarHBondContact O-CD 3.36Å
397	W	54.2	Low	51	Low	180 Å²	180	121.3 Å²	121.3	68%	0.682	63%	0.625	S	S	*	*	S	Bend	trans	-67.5	123	-176.8	-168	-96.3	0	0	0	110.5	L393 K394 S399	L393-W397 WeakPolarHBondContact O-CB 3.05Å; L393-W397 PolarHBondContact O-N 2.99Å; K394-W397 PolarHBondContact O-N 3.43Å; W397-S399 PolarHBondContact O-N 3.28Å; W397-S399 PolarHBondContact O-OG 3.32Å
398	P	42	Very low	48.7	Very low	85 Å²	85	120 Å²	120	55%	0.552	63%	0.633	S	S	*	*			trans	-73.1	91.7	-179.1	29.5	-33.1	0	0	0	109.5	T396 H400 V401	T396-P398 WeakPolarHBondContact O-CD 3.36Å; P398-H400 PolarHBondContact O-N 2.89Å; P398-V401 HydrophobicContact CB-CG2 4.01Å
399	S	47.3	Very low	46.1	Very low	87 Å²	87	124.4 Å²	124.4	61%	0.608	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	5	-178.6	29.5	0	0	0	0	113.7	W397	W397-S399 PolarHBondContact O-N 3.28Å; W397-S399 PolarHBondContact O-OG 3.32Å
400	H	38.4	Very low	43.7	Very low	146 Å²	146	127.7 Å²	127.7	68%	0.676	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.7	28.7	-175.3	-48.4	-43.7	0	0	0	115.1	P398 K402	P398-H400 PolarHBondContact O-N 2.89Å; H400-K402 PolarHBondContact O-N 3.39Å
401	V	31.6	Very low	41.7	Very low	108 Å²	108	128.8 Å²	128.8	66%	0.655	70%	0.698	S	S	*	*			trans	-74.9	79.6	167.7	-171.3	0	0	0	0	108.5	P398 L403	P398-V401 HydrophobicContact CB-CG2 4.01Å; V401-L403 VanDerWaalsContact C-N 3.32Å; V401-L403 PolarHBondContact O-N 3.04Å
402	K	29.4	Very low	39.3	Very low	201 Å²	201	129.5 Å²	129.5	87%	0.874	71%	0.707	S	S	*	*			trans	-65.4	103	154.6	-82.6	-174.7	178.1	-179.3	0	105.8	H400	H400-K402 PolarHBondContact O-N 3.39Å
403	L	27.4	Very low	37.1	Very low	138 Å²	138	131.1 Å²	131.1	72%	0.723	72%	0.721	S	S	*	*			trans	-49.9	134.3	171.2	-148.2	71.7	0	0	0	108.1	V401 C405	V401-L403 VanDerWaalsContact C-N 3.32Å; V401-L403 PolarHBondContact O-N 3.04Å; L403-C405 PolarHBondContact O-N 2.86Å
404	P	28.6	Very low	35.1	Very low	119 Å²	119	134.6 Å²	134.6	77%	0.773	73%	0.728	S	S	*	*			trans	-67.2	101.1	-177.3	-9.4	23.6	0	0	0	108.6	L406	P404-L406 PolarHBondContact O-N 3.06Å
405	C	27.8	Very low	33.3	Very low	121 Å²	121	139.1 Å²	139.1	82%	0.818	74%	0.743	S	S	*	*			trans	-65.1	120.8	167	-61	0	0	0	0	107.3	L403 Q407	L403-C405 PolarHBondContact O-N 2.86Å; C405-Q407 PolarHBondContact O-N 3.14Å
406	L	25.1	Very low	31.3	Very low	163 Å²	163	137.5 Å²	137.5	85%	0.853	74%	0.741	S	S	*	*			trans	-32.1	119.2	169.9	-98.8	71.4	0	0	0	111.2	P404 S408	P404-L406 PolarHBondContact O-N 3.06Å; L406-S408 PolarHBondContact O-N 3.26Å
407	Q	26	Very low	29.4	Very low	191 Å²	191	139.2 Å²	139.2	89%	0.893	75%	0.752	S	S	*	*			trans	-70.6	96.4	162.5	-74.4	179.8	-38.2	0	0	107.5	C405 T409	C405-Q407 PolarHBondContact O-N 3.14Å; Q407-T409 PolarHBondContact O-N 3.04Å
408	S	26.8	Very low	28.3	Very low	114 Å²	114	136 Å²	136	80%	0.797	75%	0.753	S	S	*	*			trans	-65.2	124.7	157	27.3	0	0	0	0	108.2	L406	L406-S408 PolarHBondContact O-N 3.26Å
409	T	21.2	Very low	27.3	Very low	109 Å²	109	136.4 Å²	136.4	67%	0.669	76%	0.759	S	S	*	*			trans	-62.1	165.2	173.2	48.1	0	0	0	0	111.4	Q407	Q407-T409 PolarHBondContact O-N 3.04Å
410	D	23.4	Very low	26.2	Very low	139 Å²	139	140.1 Å²	140.1	74%	0.743	77%	0.766	S	S	*	*			trans	92.5	95.4	155.6	-46.5	-42	0	0	0	117.3
411	S	28.2	Very low	25.7	Very low	124 Å²	124	140.6 Å²	140.6	87%	0.867	77%	0.768	S	S	*	*				-168.3	102.9	117.3	26.7	0	0	0	0	110.9
412	I	20.4	Very low	25.2	Very low	151 Å²	151	139.7 Å²	139.7	77%	0.774	77%	0.767	S	S	*	*			trans	-70.5	134.6	158.6	-69.3	157.7	0	0	0	107.8
413	S	22.1	Very low	25.1	Very low	104 Å²	104	136.6 Å²	136.6	73%	0.727	77%	0.765	S	S	*	*			trans	177.2	123.2	132.4	43.8	0	0	0	0	114.3
414	Y	23	Very low	24.9	Very low	184 Å²	184	136.8 Å²	136.8	72%	0.722	77%	0.767	S	S	*	*			trans	37	123.7	133.2	-72.9	-92.8	0	0	0	120.3
415	Y	29.6	Very low	24.6	Very low	233 Å²	233	141.3 Å²	141.3	91%	0.914	77%	0.77	S	S	*	*				-161.2	123.2	97.2	-93.8	-74.2	0	0	0	111.5
416	S	20.4	Very low	24.3	Very low	85 Å²	85	141.7 Å²	141.7	59%	0.594	77%	0.769	S	S	*	*			trans	-78.6	152.4	164.4	-42	0	0	0	0	110.1
417	T	24.5	Very low	24.2	Very low	142 Å²	142	141.4 Å²	141.4	87%	0.871	77%	0.765	S	S	*	*				169.8	154.4	123.1	33.8	0	0	0	0	112.5
418	P	31.6	Very low	23.9	Very low	111 Å²	111	138.4 Å²	138.4	72%	0.721	76%	0.755	S	S	*	*			trans	-115.3	164.5	-141.1	12.2	12.5	0	0	0	115.8
419	S	20.5	Very low	23.8	Very low	95 Å²	95	137.5 Å²	137.5	66%	0.664	75%	0.749	S	S	*	*			trans	-13.3	134	151.9	54.1	0	0	0	0	117.3
420	H	25	Very low	24.2	Very low	164 Å²	164	140.4 Å²	140.4	76%	0.759	76%	0.759	S	S	*	*			trans	-169.5	133.9	135.2	-97.4	-66.8	0	0	0	112
421	H	27.1	Very low	24.2	Very low	156 Å²	156	140.3 Å²	140.3	72%	0.722	76%	0.757	S	S	*	*			trans	64.6	104	151.3	-68.5	-59.3	0	0	0	119.6
422	S	21.9	Very low	23.9	Very low	90 Å²	90	141.6 Å²	141.6	63%	0.629	76%	0.755	S	S	*	*				63.1	108	85	73.3	0	0	0	0	114.4
423	T	26.8	Very low	24.2	Very low	136 Å²	136	139.9 Å²	139.9	83%	0.834	76%	0.756	S	S	*	*				177.9	123.7	119.6	33.8	0	0	0	0	111.8
424	N	23.7	Very low	24.4	Very low	141 Å²	141	140.4 Å²	140.4	75%	0.754	76%	0.759	S	S	*	*			trans	15.4	122.1	144.8	-64.8	-15.7	0	0	0	120.9
425	Y	21.2	Very low	24.5	Very low	214 Å²	214	135.2 Å²	135.2	84%	0.839	76%	0.762	S	S	*	*				17.8	118.9	125.4	-69.3	-85.4	0	0	0	117.6
426	T	21.6	Very low	24.4	Very low	129 Å²	129	136.1 Å²	136.1	79%	0.791	76%	0.764	S	S	*	*				177.2	150.2	110.6	27.5	0	0	0	0	112.4
427	M	22.2	Very low	24.8	Very low	157 Å²	157	135.5 Å²	135.5	77%	0.773	76%	0.759	S	S	*	*			trans	73.9	102.1	160.8	-66.4	-84	142.5	0	0	115.7
428	D	21.5	Very low	25	Very low	129 Å²	129	136.5 Å²	136.5	69%	0.69	76%	0.759	S	S	*	*				94.5	123	72.7	-96.5	-18.6	0	0	0	112.4
429	S	24.4	Very low	25.1	Very low	95 Å²	95	138.7 Å²	138.7	66%	0.664	76%	0.759	S	S	*	*			trans	55.6	113.1	150.7	65.4	0	0	0	0	119.9
430	L	28.8	Very low	25.6	Very low	169 Å²	169	141.6 Å²	141.6	89%	0.885	77%	0.767	S	S	*	*			trans	-173.2	83.3	138.5	-94.3	162.1	0	0	0	105.5
431	I	22.7	Very low	25.8	Very low	137 Å²	137	142 Å²	142	70%	0.703	77%	0.77	S	S	*	*				42.8	107.9	93.9	-57.6	-178.4	0	0	0	113.6
432	N	22.6	Very low	25.8	Very low	152 Å²	152	142.4 Å²	142.4	81%	0.813	78%	0.776	S	S	*	*			trans	60.8	109.9	150.6	-63.7	-13.9	0	0	0	120
433	S	27.8	Very low	26.1	Very low	114 Å²	114	142.1 Å²	142.1	80%	0.797	78%	0.779	S	S	*	*				-157.4	112.1	121	42.8	0	0	0	0	111.4
434	S	24.7	Very low	26	Very low	115 Å²	115	142.6 Å²	142.6	80%	0.804	78%	0.777	S	S	*	*			trans	1.1	125.2	145.1	51.4	0	0	0	0	119.2
435	G	26	Very low	26.1	Very low	76 Å²	76	142 Å²	142	78%	0.784	78%	0.778	S	S	*	*				79.4	88	125.2	0	0	0	0	0	117.6
436	R	27.5	Very low	26.3	Very low	252 Å²	252	141.7 Å²	141.7	95%	0.951	78%	0.781	S	S	*	*			trans	-129	125.4	142.4	-80.3	-172.4	-167.9	179.9	3.9	109.8
437	S	28.1	Very low	26.5	Very low	71 Å²	71	142.9 Å²	142.9	50%	0.497	78%	0.782	S	S	.	*			trans	-58.7	140.6	177.3	175.5	0	0	0	0	110.3	E439	S437-E439 PolarHBondContact O-N 3.04Å; S437-E439 WeakPolarHBondContact OG-CG 3.28Å; S437-E439 PolarHBondContact OG-N 3.1Å; S437-E439 PolarHBondContact OG-OE2 2.61Å
438	L	30	Very low	26.5	Very low	164 Å²	164	145 Å²	145	86%	0.859	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	9.5	177.5	-161.7	72.6	0	0	0	112.9
439	E	33.9	Very low	26.8	Very low	156 Å²	156	143.3 Å²	143.3	73%	0.729	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-21.1	-174.5	-69.5	166.4	150.4	0	0	113.2	S437	S437-E439 PolarHBondContact O-N 3.04Å; S437-E439 WeakPolarHBondContact OG-CG 3.28Å; S437-E439 PolarHBondContact OG-N 3.1Å; S437-E439 PolarHBondContact OG-OE2 2.61Å
440	D	29.5	Very low	26.8	Very low	156 Å²	156	143.6 Å²	143.6	83%	0.834	79%	0.794	S	S	*	*	S	Bend	trans	-91.3	-5.1	-174.8	-73.2	-24.6	0	0	0	114.8
441	E	29.3	Very low	26.7	Very low	174 Å²	174	140.6 Å²	140.6	81%	0.813	78%	0.782	S	S	*	*	S	Bend	trans	-101.9	-2.8	179.1	-149	173.2	173.3	0	0	113.9
442	L	27.4	Very low	26.8	Very low	163 Å²	163	143.4 Å²	143.4	85%	0.853	79%	0.789	S	S	*	*	S	Bend	trans	-93.2	7	-177.5	-153	69	0	0	0	114.7
443	A	29	Very low	26.9	Very low	84 Å²	84	143.1 Å²	143.1	69%	0.694	79%	0.788	S	S	*	*	S	Bend	trans	-85.9	-22.3	179.4	0	0	0	0	0	114.4
444	D	24.7	Very low	26.9	Very low	146 Å²	146	147.6 Å²	147.6	78%	0.781	79%	0.789	S	S	*	*	S	Bend	trans	-137.3	67.7	-167.9	-78.8	-35.3	0	0	0	114.2
445	T	26.2	Very low	27	Very low	128 Å²	128	148.9 Å²	148.9	79%	0.785	79%	0.787	S	S	*	*			trans	-163	82.1	141	-6.8	0	0	0	0	112.4	L447	T445-L447 HydrophobicContact CG2-CB 4.41Å; T445-L447 PolarHBondContact O-N 3.19Å
446	K	23.4	Very low	27.2	Very low	209 Å²	209	151.2 Å²	151.2	91%	0.909	78%	0.781	S	S	*	*			trans	-71.8	99.4	150.7	-82.7	175.2	177.9	168.7	0	107.2
447	L	25.9	Very low	27.3	Very low	153 Å²	153	145.4 Å²	145.4	80%	0.801	77%	0.774	S	S	*	*			trans	-128.5	123.3	166.2	-151.2	76.3	0	0	0	112.2	T445 S449	T445-L447 HydrophobicContact CG2-CB 4.41Å; T445-L447 PolarHBondContact O-N 3.19Å; L447-S449 PolarHBondContact O-N 3.04Å
448	F	23.6	Very low	27.1	Very low	203 Å²	203	151.1 Å²	151.1	89%	0.89	79%	0.79	S	S	*	*			trans	-51.4	120.7	-175.5	-84.7	-104.6	0	0	0	113.8	A450	F448-A450 PolarHBondContact O-N 3.35Å
449	S	26.7	Very low	27	Very low	93 Å²	93	150.5 Å²	150.5	65%	0.65	78%	0.776	S	S	*	*			trans	-85.5	97.9	160.6	38.1	0	0	0	0	109.8	L447 T451	L447-S449 PolarHBondContact O-N 3.04Å; S449-T451 PolarHBondContact O-N 3.06Å
450	A	24.5	Very low	26.5	Very low	101 Å²	101	148.4 Å²	148.4	84%	0.835	78%	0.776	S	S	*	*			trans	-86.1	94.2	157	0	0	0	0	0	107.5	F448	F448-A450 PolarHBondContact O-N 3.35Å
451	T	27.6	Very low	26.3	Very low	106 Å²	106	145.7 Å²	145.7	65%	0.65	77%	0.769	S	S	*	*			trans	-138.4	131.4	173.7	-7.1	0	0	0	0	112.5	S449	S449-T451 PolarHBondContact O-N 3.06Å
452	K	24.1	Very low	26.1	Very low	195 Å²	195	142.9 Å²	142.9	85%	0.848	76%	0.764	S	S	*	*			trans	-59.6	133.9	-167	-70.4	163.4	174.1	173.1	0	112.5	Y454	K452-Y454 PolarHBondContact O-N 2.74Å; K452-Y454 VanDerWaalsContact O-N 3.14Å
453	N	24.8	Very low	26.1	Very low	147 Å²	147	141.3 Å²	141.3	79%	0.786	76%	0.756	S	S	*	*			trans	-53	108.7	174.3	-75.8	-23.8	0	0	0	112.3
454	Y	27.8	Very low	26	Very low	207 Å²	207	142.1 Å²	142.1	81%	0.812	76%	0.756	S	S	*	*			trans	-102	108.1	148.2	-86.8	-81.7	0	0	0	107.8	K452 N456	K452-Y454 PolarHBondContact O-N 2.74Å; K452-Y454 VanDerWaalsContact O-N 3.14Å; Y454-N456 VanDerWaalsContact C-N 3.34Å; Y454-N456 PolarHBondContact O-N 3.28Å
455	N	27.4	Very low	26	Very low	142 Å²	142	140.6 Å²	140.6	76%	0.759	76%	0.757	S	S	*	*			trans	-73.9	89.2	170	-74.2	-18	0	0	0	108.4	V457	N455-V457 PolarHBondContact O-N 3.47Å
456	N	29.5	Very low	26	Very low	126 Å²	126	139 Å²	139	67%	0.674	75%	0.751	S	S	*	*			trans	-78.5	108.4	164.5	-74.9	-12.8	0	0	0	108.5	Y454	Y454-N456 VanDerWaalsContact C-N 3.34Å; Y454-N456 PolarHBondContact O-N 3.28Å
457	V	29.3	Very low	26.1	Very low	130 Å²	130	136.6 Å²	136.6	79%	0.788	75%	0.748	S	S	*	*			trans	-56	134.9	168.6	174	0	0	0	0	108.7	N455 R459	N455-V457 PolarHBondContact O-N 3.47Å; V457-R459 PolarHBondContact O-N 2.75Å
458	F	25.1	Very low	26.2	Very low	191 Å²	191	136.9 Å²	136.9	84%	0.838	75%	0.749	S	S	*	*			trans	-32.4	116.8	176.3	-92.9	-96.2	0	0	0	112.9
459	R	27	Very low	26.2	Very low	151 Å²	151	131.8 Å²	131.8	57%	0.57	74%	0.738	S	S	*	*			trans	-102.4	108	171.4	-161.7	-175	-161.2	-163.4	4.5	106.5	V457 S461	V457-R459 PolarHBondContact O-N 2.75Å; R459-S461 PolarHBondContact O-N 3.36Å
460	P	23.9	Very low	26.2	Very low	111 Å²	111	133.5 Å²	133.5	72%	0.721	75%	0.747	S	S	*	*			trans	-61.6	131.2	166.5	-14.9	28.7	0	0	0	107.4	V462	P460-V462 PolarHBondContact O-N 3.34Å
461	S	24.5	Very low	26.2	Very low	100 Å²	100	133.7 Å²	133.7	70%	0.699	74%	0.743	S	S	*	*			trans	-46.5	126	174.1	-60.2	0	0	0	0	109.4	R459 L463	R459-S461 PolarHBondContact O-N 3.36Å; S461-L463 PolarHBondContact O-N 3.44Å
462	V	25.2	Very low	26	Very low	115 Å²	115	133.6 Å²	133.6	70%	0.697	75%	0.753	S	S	*	*			trans	-71.5	70.4	171.6	-175	0	0	0	0	107.3	P460	P460-V462 PolarHBondContact O-N 3.34Å
463	L	28.8	Very low	26.2	Very low	130 Å²	130	132 Å²	132	68%	0.681	75%	0.752	S	S	*	*			trans	-115.4	95.7	162.2	-78.2	165.4	0	0	0	105.1	S461 S465	S461-L463 PolarHBondContact O-N 3.44Å; L463-S465 PolarHBondContact O-N 2.85Å
464	S	25.5	Very low	26.1	Very low	100 Å²	100	128.1 Å²	128.1	70%	0.699	75%	0.746	S	S	*	*			trans	-33.8	110.6	175.5	42.7	0	0	0	0	113.5
465	S	25.2	Very low	25.9	Very low	114 Å²	114	123.8 Å²	123.8	80%	0.797	75%	0.746	S	S	*	*			trans	-109.2	76.1	157.3	30	0	0	0	0	108.1	L463 N467	L463-S465 PolarHBondContact O-N 2.85Å; S465-N467 VanDerWaalsContact C-N 3.31Å; S465-N467 PolarHBondContact O-N 3.21Å
466	S	26.3	Very low	25.8	Very low	96 Å²	96	126.1 Å²	126.1	67%	0.671	75%	0.752	S	S	*	*			trans	-82	79.9	163.6	56.1	0	0	0	0	108.9
467	N	25	Very low	25.4	Very low	157 Å²	157	128.8 Å²	128.8	84%	0.84	76%	0.76	S	S	*	*			trans	-108	70.9	158.8	-80.6	-6.9	0	0	0	107.8	S465 S469	S465-N467 VanDerWaalsContact C-N 3.31Å; S465-N467 PolarHBondContact O-N 3.21Å; N467-S469 PolarHBondContact O-N 3.11Å
468	I	28.1	Very low	25.2	Very low	159 Å²	159	127.8 Å²	127.8	82%	0.815	76%	0.759	S	S	*	*			trans	-77	110.3	159.1	-64.5	173.4	0	0	0	105.3
469	S	24.1	Very low	25.1	Very low	97 Å²	97	124.9 Å²	124.9	68%	0.678	76%	0.757	S	S	*	*			trans	-46.5	125.9	172.3	-44.6	0	0	0	0	110	N467 S471	N467-S469 PolarHBondContact O-N 3.11Å; S469-S471 PolarHBondContact O-N 3.39Å
470	P	25.8	Very low	24.8	Very low	128 Å²	128	124.1 Å²	124.1	83%	0.831	77%	0.769	S	S	*	*			trans	-70.3	109.4	-179.6	26.1	-30.2	0	0	0	109	A472	P470-A472 PolarHBondContact O-N 3.32Å
471	S	25.8	Very low	24.8	Very low	106 Å²	106	126.5 Å²	126.5	74%	0.741	78%	0.776	S	S	*	*			trans	-57	122.8	163.9	-53.6	0	0	0	0	108.5	S469 I473	S469-S471 PolarHBondContact O-N 3.39Å; S471-I473 PolarHBondContact O-N 3.38Å
472	A	23.4	Very low	24.6	Very low	104 Å²	104	126 Å²	126	86%	0.86	77%	0.772	S	S	*	*			trans	-54	108	175.4	0	0	0	0	0	110.9	P470	P470-A472 PolarHBondContact O-N 3.32Å
473	I	27.6	Very low	24.4	Very low	162 Å²	162	131 Å²	131	83%	0.831	78%	0.778	S	S	*	*			trans	-124.4	123.9	159	-65	178.8	0	0	0	106.4	S471	S471-I473 PolarHBondContact O-N 3.38Å
474	G	23.7	Very low	24.1	Very low	64 Å²	64	133 Å²	133	66%	0.66	78%	0.784	S	S	*	*			trans	-58.3	149.6	-164.7	0	0	0	0	0	115	Q476	G474-Q476 PolarHBondContact O-N 3.47Å
475	S	23.2	Very low	23.9	Very low	116 Å²	116	132.7 Å²	132.7	81%	0.811	78%	0.781	S	S	*	*			trans	-35.4	116.6	163.1	51.9	0	0	0	0	113.9
476	Q	25.2	Very low	23.8	Very low	191 Å²	191	136.7 Å²	136.7	89%	0.893	79%	0.785	S	S	*	*			trans	-126.8	94.6	147.4	-70.6	-169.6	-4.2	0	0	108.1	G474	G474-Q476 PolarHBondContact O-N 3.47Å
477	H	20.7	Very low	23.4	Very low	183 Å²	183	143.6 Å²	143.6	85%	0.847	80%	0.796	S	S	*	*			trans	-56.8	129.9	152.6	-87.5	-72.5	0	0	0	108.4
478	S	24.7	Very low	23.3	Very low	109 Å²	109	141.1 Å²	141.1	76%	0.762	79%	0.791	S	S	*	*			trans	-178.3	107.9	142.2	-77.2	0	0	0	0	111.4
479	T	23.4	Very low	23	Very low	130 Å²	130	138.4 Å²	138.4	80%	0.798	79%	0.786	S	S	*	*			trans	43	108.5	136.8	36.3	0	0	0	0	121.1	N481	T479-N481 PolarHBondContact O-N 3.24Å
480	V	19.8	Very low	23.1	Very low	134 Å²	134	141.1 Å²	141.1	81%	0.812	79%	0.793	S	S	*	*			trans	-5.7	114.2	132.1	-176.5	0	0	0	0	114.5
481	N	25	Very low	22.8	Very low	162 Å²	162	143.5 Å²	143.5	87%	0.866	80%	0.795	S	S	*	*			trans	-151.4	153.4	140	-109.6	-18.9	0	0	0	112.1	T479	T479-N481 PolarHBondContact O-N 3.24Å
482	S	20.2	Very low	22.9	Very low	88 Å²	88	149 Å²	149	62%	0.615	80%	0.802	S	S	*	*			trans	-108	166	-154.8	57.8	0	0	0	0	112.5
483	R	20.9	Very low	22.8	Very low	222 Å²	222	148.5 Å²	148.5	84%	0.838	79%	0.792	S	S	*	*			trans	77.9	113.8	154.4	-68.1	-179.8	175.9	179.6	-0.7	119.9
484	H	22.6	Very low	22.8	Very low	171 Å²	171	147.1 Å²	147.1	79%	0.792	79%	0.791	S	S	*	*				74.2	125.5	126.8	-84.2	-71.6	0	0	0	122.4
485	S	21.3	Very low	22.8	Very low	93 Å²	93	151.1 Å²	151.1	65%	0.65	79%	0.792	S	S	*	*			trans	80.1	116.6	135.3	43.5	0	0	0	0	122.2
486	F	22.2	Very low	22.9	Very low	199 Å²	199	156.7 Å²	156.7	87%	0.873	80%	0.797	S	S	*	*			trans	71.3	115.1	135.3	-77.7	-78.5	0	0	0	121.8
487	R	19.5	Very low	22.8	Very low	241 Å²	241	153.5 Å²	153.5	91%	0.909	79%	0.786	S	S	*	*				72.3	115.3	126.4	-162.6	-179.9	-170.7	-171.5	2.4	119.8
488	S	23.4	Very low	23.6	Very low	104 Å²	104	150.6 Å²	150.6	73%	0.727	78%	0.783	S	S	*	*			trans	152.8	106.6	134.5	-173.8	0	0	0	0	109.3
489	S	21.6	Very low	23.5	Very low	103 Å²	103	154.2 Å²	154.2	72%	0.72	79%	0.79	S	S	*	*				53	106.7	105.8	-50.6	0	0	0	0	115.3
490	N	25.1	Very low	23.5	Very low	153 Å²	153	157.5 Å²	157.5	82%	0.818	79%	0.794	S	S	*	*			trans	-167.5	104.4	142.3	-89.1	-19.2	0	0	0	106.1
491	M	20.8	Very low	23.8	Very low	179 Å²	179	160.3 Å²	160.3	88%	0.882	80%	0.798	S	S	*	*				39.9	89.1	89.8	-79.8	-131.7	160.6	0	0	113.3
492	Y	27.9	Very low	23.8	Very low	222 Å²	222	161.1 Å²	161.1	87%	0.871	80%	0.796	S	S	*	*			trans	-125.5	105	140.1	-89	-81.3	0	0	0	108.5
493	S	21	Very low	23.8	Very low	93 Å²	93	165.9 Å²	165.9	65%	0.65	81%	0.811	S	S	*	*			trans	-73.1	127.2	159	172.8	0	0	0	0	108.2
494	T	26.9	Very low	24.2	Very low	133 Å²	133	163.1 Å²	163.1	82%	0.816	81%	0.811	S	S	*	*			trans	-134.6	106.2	152	46.2	0	0	0	0	108.2
495	H	23.4	Very low	24.3	Very low	147 Å²	147	163.1 Å²	163.1	68%	0.681	81%	0.812	S	S	*	*			trans	-38.4	134.1	165.6	-87.2	-92.3	0	0	0	113.7
496	Y	25.2	Very low	24.3	Very low	234 Å²	234	164 Å²	164	92%	0.918	82%	0.818	S	S	*	*			trans	-136	105.1	141.1	-126.9	-92.5	0	0	0	108.6
497	N	24.2	Very low	24.4	Very low	123 Å²	123	157.7 Å²	157.7	66%	0.658	81%	0.809	S	S	*	*			trans	-82.4	147.8	178.3	-107.7	-27.8	0	0	0	110.3
498	P	36.1	Very low	24.8	Very low	122 Å²	122	155.6 Å²	155.6	79%	0.792	81%	0.809	S	S	*	*			trans	-86.9	123	177.6	33.5	-28.2	0	0	0	110
499	M	23.7	Very low	25	Very low	185 Å²	185	161.4 Å²	161.4	91%	0.911	82%	0.815	S	S	*	*			trans	-135.8	116.2	170	-127.1	-171.9	171.8	0	0	112
500	K	22.3	Very low	25.4	Very low	199 Å²	199	164 Å²	164	87%	0.865	82%	0.821	S	S	*	*			trans	-2.9	122.9	150.4	-77.9	171.5	167.5	176.1	0	117.3
501	Q	27.4	Very low	25.6	Very low	193 Å²	193	163.7 Å²	163.7	90%	0.902	82%	0.819	S	S	*	*			trans	-147.7	90.2	142.4	-101	172.4	-17.6	0	0	105.5
502	Q	24.3	Very low	26.2	Very low	179 Å²	179	162.7 Å²	162.7	84%	0.836	82%	0.817	S	S	*	*				45.1	105	90.1	-108.1	177.4	-11.5	0	0	113.9
503	M	21	Very low	26.4	Very low	188 Å²	188	159 Å²	159	93%	0.926	81%	0.813	S	S	*	*			trans	13.8	106.7	147.6	-72.8	172.9	160.7	0	0	116.6
504	I	28.4	Very low	26.9	Very low	164 Å²	164	162.5 Å²	162.5	84%	0.841	82%	0.824	S	S	*	*			trans	-119.8	95.8	148.1	-62.2	178.2	0	0	0	106.7
505	E	23.9	Very low	27	Very low	172 Å²	172	160.5 Å²	160.5	80%	0.804	82%	0.815	S	S	*	*			trans	30.5	131.2	130.9	-151.9	159.3	-174.3	0	0	120.5
506	S	23.1	Very low	27.3	Very low	112 Å²	112	163.7 Å²	163.7	78%	0.783	82%	0.822	S	S	*	*			trans	-36.7	138.2	168.9	49.1	0	0	0	0	117.2
507	G	23.9	Very low	27.4	Very low	65 Å²	65	160.5 Å²	160.5	67%	0.67	82%	0.82	S	S	*	*			trans	145	91.1	141.5	0	0	0	0	0	114.6
508	Q	28.3	Very low	27.6	Very low	198 Å²	198	159.3 Å²	159.3	93%	0.925	82%	0.822	S	S	*	*				-176.2	133.2	121.4	-103.8	165.2	-35.8	0	0	111.3
509	R	26.4	Very low	27.2	Very low	226 Å²	226	157.6 Å²	157.6	85%	0.853	81%	0.813	S	S	*	*			trans	-73.3	116.9	178.5	-57.7	168.4	-151.8	172.1	6.2	107.8
510	D	31	Very low	27.4	Very low	157 Å²	157	156.3 Å²	156.3	84%	0.84	82%	0.815	S	S	*	*			trans	-136	60.4	156	-81.4	-31.4	0	0	0	107.5	D512	D510-D512 VanDerWaalsContact C-N 3.33Å; D510-D512 PolarHBondContact O-N 2.88Å; D510-D512 VanDerWaalsContact O-N 3.09Å
511	D	29.1	Very low	27.8	Very low	146 Å²	146	151.7 Å²	151.7	78%	0.781	81%	0.808	S	S	*	*			trans	-75	83.1	170.1	-75.4	-36.7	0	0	0	108.9
512	D	33.9	Very low	27.6	Very low	158 Å²	158	150.5 Å²	150.5	85%	0.845	80%	0.802	S	S	*	*			trans	-156.6	29.1	165.1	-98.2	-20.5	0	0	0	114.5	D510	D510-D512 VanDerWaalsContact C-N 3.33Å; D510-D512 PolarHBondContact O-N 2.88Å; D510-D512 VanDerWaalsContact O-N 3.09Å
513	N	30.3	Very low	27.7	Very low	146 Å²	146	152.7 Å²	152.7	78%	0.781	80%	0.804	S	S	*	*	S	Bend	trans	-133.3	20.5	178.2	-88.2	-46.1	0	0	0	116.6
514	L	31.5	Very low	27.9	Very low	166 Å²	166	152.4 Å²	152.4	87%	0.869	80%	0.797	S	S	*	*			trans	-122.3	41.3	-178.8	-141.9	82.2	0	0	0	115
515	S	29.3	Very low	27.8	Very low	90 Å²	90	149.1 Å²	149.1	63%	0.629	79%	0.787	S	S	*	*	S	Bend	trans	-114.9	15.2	175.4	70.4	0	0	0	0	115.9
516	Y	29.3	Very low	27.8	Very low	215 Å²	215	147.1 Å²	147.1	84%	0.843	78%	0.782	S	S	*	*	S	Bend	trans	-129	28.3	173.3	-78	-76.4	0	0	0	114.9
517	L	28.7	Very low	27.7	Very low	166 Å²	166	146.8 Å²	146.8	87%	0.869	78%	0.778	S	S	*	*			trans	-123.4	46.2	165.1	-104.1	144.4	0	0	0	110.2
518	S	28.3	Very low	27.9	Very low	99 Å²	99	153 Å²	153	69%	0.692	78%	0.783	S	S	*	*			trans	-94.4	96.7	163.2	70.9	0	0	0	0	110
519	S	27	Very low	27.7	Very low	86 Å²	86	148.9 Å²	148.9	60%	0.601	77%	0.771	S	S	*	*			trans	60.7	83.2	141.9	65.7	0	0	0	0	118.7
520	V	28.1	Very low	27.7	Very low	157 Å²	157	145.5 Å²	145.5	95%	0.952	77%	0.769	S	S	*	*	S	Bend	trans	-99.7	4.3	152.8	174.8	0	0	0	0	111.9
521	S	31	Very low	27.5	Very low	103 Å²	103	145 Å²	145	72%	0.72	77%	0.766	S	S	*	*	S	Bend	trans	-117.7	14.3	-174.9	62.1	0	0	0	0	117.2
522	H	23.9	Very low	27.3	Very low	167 Å²	167	142.9 Å²	142.9	77%	0.773	76%	0.764	S	S	*	*			trans	-114.8	59.1	170.5	-79.2	-66.5	0	0	0	112.3
523	Y	25.5	Very low	27	Very low	225 Å²	225	142.9 Å²	142.9	88%	0.882	76%	0.764	S	S	*	*			trans	-121.3	86.1	150.7	-114.4	-92.1	0	0	0	107.3	P525	Y523-P525 WeakPolarHBondContact O-CD 3.29Å
524	K	24.4	Very low	26.8	Very low	182 Å²	182	141.5 Å²	141.5	79%	0.791	77%	0.765	S	S	*	*			trans	-93.6	103	163.6	-151.7	-177.6	-170.6	-173.9	0	104.8	N526	K524-N526 PolarHBondContact O-N 3.23Å; K524-N526 VanDerWaalsContact O-N 3.15Å
525	P	27.2	Very low	26.5	Very low	96 Å²	96	139.5 Å²	139.5	62%	0.623	77%	0.765	S	S	*	*			trans	-68.7	116.2	172.4	-1.1	17.3	0	0	0	106.1	Y523 C527	Y523-P525 WeakPolarHBondContact O-CD 3.29Å; P525-C527 PolarHBondContact O-N 3.45Å
526	N	23.4	Very low	26.4	Very low	130 Å²	130	138.7 Å²	138.7	70%	0.695	77%	0.771	S	S	*	*			trans	-64.6	81.5	163.4	-81.4	-16.4	0	0	0	107.8	K524 Y528	K524-N526 PolarHBondContact O-N 3.23Å; K524-N526 VanDerWaalsContact O-N 3.15Å; N526-Y528 HydrophobicContact CB-CE2 4.27Å; N526-Y528 PolarHBondContact O-N 3.05Å
527	C	22.3	Very low	26.4	Very low	104 Å²	104	137.4 Å²	137.4	70%	0.703	77%	0.772	S	S	*	*			trans	-82.2	90.9	160.8	-76	0	0	0	0	106.8	P525 T529	P525-C527 PolarHBondContact O-N 3.45Å; C527-T529 PolarHBondContact O-N 3.36Å; C527-T529 VanDerWaalsContact O-N 3.11Å
528	Y	26.5	Very low	26.2	Very low	195 Å²	195	136.4 Å²	136.4	77%	0.765	77%	0.767	S	S	*	*			trans	-61.7	108.1	150.6	-65.4	-81.3	0	0	0	105.9	N526 L530	N526-Y528 HydrophobicContact CB-CE2 4.27Å; N526-Y528 PolarHBondContact O-N 3.05Å; Y528-L530 VanDerWaalsContact C-N 3.28Å; Y528-L530 PolarHBondContact O-N 2.97Å
529	T	25.1	Very low	26.2	Very low	112 Å²	112	137.4 Å²	137.4	69%	0.687	77%	0.771	S	S	*	*			trans	-65.5	97.3	158.3	43.2	0	0	0	0	106	C527 D531	C527-T529 PolarHBondContact O-N 3.36Å; C527-T529 VanDerWaalsContact O-N 3.11Å; T529-D531 PolarHBondContact O-N 3.14Å
530	L	25.4	Very low	26.1	Very low	155 Å²	155	138.2 Å²	138.2	81%	0.812	77%	0.772	S	S	*	*			trans	-69.5	91.2	159.6	-93.8	142.6	0	0	0	106	Y528 S532	Y528-L530 VanDerWaalsContact C-N 3.28Å; Y528-L530 PolarHBondContact O-N 2.97Å; L530-S532 VanDerWaalsContact C-N 3.31Å; L530-S532 PolarHBondContact O-N 3.13Å
531	D	26.5	Very low	26	Very low	146 Å²	146	137.6 Å²	137.6	78%	0.781	76%	0.764	S	S	*	*			trans	-68.9	96.3	164.8	-77.6	-26.6	0	0	0	107.6	T529 N533	T529-D531 PolarHBondContact O-N 3.14Å; D531-N533 VanDerWaalsContact C-N 3.28Å; D531-N533 PolarHBondContact O-N 3.14Å; D531-N533 VanDerWaalsContact O-N 3.1Å
532	S	24.9	Very low	25.9	Very low	103 Å²	103	141.1 Å²	141.1	72%	0.72	77%	0.774	S	S	*	*			trans	-74.4	85	164.2	-54.4	0	0	0	0	107.9	L530	L530-S532 VanDerWaalsContact C-N 3.31Å; L530-S532 PolarHBondContact O-N 3.13Å
533	N	29	Very low	26.1	Very low	158 Å²	158	139.2 Å²	139.2	85%	0.845	77%	0.774	S	S	*	*			trans	-150.9	100.6	146	-94.1	-22.1	0	0	0	109	D531 S535	D531-N533 VanDerWaalsContact C-N 3.28Å; D531-N533 PolarHBondContact O-N 3.14Å; D531-N533 VanDerWaalsContact O-N 3.1Å; N533-S535 PolarHBondContact O-N 2.74Å
534	S	24.8	Very low	26.2	Very low	116 Å²	116	137.3 Å²	137.3	81%	0.811	77%	0.773	S	S	*	*			trans	-52.4	120.2	168.8	54	0	0	0	0	111.5
535	S	26.1	Very low	26.3	Very low	124 Å²	124	133.9 Å²	133.9	87%	0.867	77%	0.772	S	S	*	*			trans	-176.2	124	133.4	31.1	0	0	0	0	109.9	N533	N533-S535 PolarHBondContact O-N 2.74Å
536	G	27.8	Very low	26.2	Very low	73 Å²	73	136 Å²	136	75%	0.753	78%	0.776	S	S	*	*	S	Bend	trans	107.7	96.2	156	0	0	0	0	0	116.6
537	H	29.3	Very low	26.6	Very low	188 Å²	188	135.8 Å²	135.8	87%	0.87	78%	0.778	S	S	*	*			trans	59.3	98.2	150.3	-84.7	-75.1	0	0	0	119.8	P539	H537-P539 WeakPolarHBondContact O-CD 3.29Å
538	L	24.4	Very low	26.7	Very low	145 Å²	145	138.5 Å²	138.5	76%	0.759	78%	0.778	S	S	*	*			trans	-57.8	122.6	153.5	-168.3	80.3	0	0	0	110.7	T540	L538-T540 HydrophobicContact CD2-CG2 4.12Å
539	P	27.3	Very low	26.9	Very low	120 Å²	120	137.9 Å²	137.9	78%	0.779	78%	0.782	S	S	*	*			trans	-89.1	106.8	153.2	8.2	11.8	0	0	0	107.5	H537	H537-P539 WeakPolarHBondContact O-CD 3.29Å
540	T	24.5	Very low	26.8	Very low	103 Å²	103	141.3 Å²	141.3	63%	0.632	79%	0.787	S	S	*	*			trans	-56.5	142.2	158.1	23.7	0	0	0	0	109.8	L538	L538-T540 HydrophobicContact CD2-CG2 4.12Å
541	N	26.2	Very low	26.9	Very low	144 Å²	144	139.3 Å²	139.3	77%	0.77	79%	0.787	S	S	*	*			trans	88.6	82.2	171.6	-49.1	-23.6	0	0	0	116.1
542	L	30.4	Very low	26.9	Very low	178 Å²	178	139.1 Å²	139.1	93%	0.932	79%	0.785	S	S	*	*			trans	-135.1	106.9	131.1	-130.8	88.6	0	0	0	109.2
543	T	27.5	Very low	26.9	Very low	127 Å²	127	139.2 Å²	139.2	78%	0.779	79%	0.786	S	S	*	*			trans	-59	145.3	177.7	35.4	0	0	0	0	111.9	S545	T543-S545 PolarHBondContact O-N 3.3Å
544	Q	27	Very low	27.1	Very low	184 Å²	184	136.8 Å²	136.8	86%	0.86	78%	0.782	S	S	*	*			trans	-42.7	102.8	166.3	-65.1	163.5	-8.2	0	0	111.5
545	S	27.2	Very low	27.4	Very low	111 Å²	111	140.8 Å²	140.8	78%	0.776	79%	0.785	S	S	*	*			trans	-105.7	93.8	155.3	68.4	0	0	0	0	108.4	T543 V547	T543-S545 PolarHBondContact O-N 3.3Å; S545-V547 PolarHBondContact O-N 3.21Å; S545-V547 VanDerWaalsContact O-N 3.15Å
546	M	25	Very low	27.5	Very low	141 Å²	141	146.1 Å²	146.1	70%	0.695	79%	0.786	S	S	*	*			trans	-57.8	107.6	167.5	-67.9	-177.7	154	0	0	110	K548	M546-K548 VanDerWaalsContact C-N 3.3Å; M546-K548 HydrophobicContact CB-CG 4.24Å; M546-K548 PolarHBondContact O-N 3.01Å
547	V	32	Very low	27.6	Very low	124 Å²	124	152 Å²	152	75%	0.752	79%	0.79	S	S	*	*			trans	-85.3	86.2	154	-178.9	0	0	0	0	107.4	S545 H549	S545-V547 PolarHBondContact O-N 3.21Å; S545-V547 VanDerWaalsContact O-N 3.15Å; V547-H549 PolarHBondContact O-N 3.18Å; V547-H549 VanDerWaalsContact O-N 3.11Å
548	K	24.4	Very low	28.1	Very low	162 Å²	162	154 Å²	154	70%	0.704	79%	0.79	S	S	*	*			trans	-62.8	97.4	168.9	-77.8	169	175.6	165.3	0	109.5	M546 K550	M546-K548 VanDerWaalsContact C-N 3.3Å; M546-K548 HydrophobicContact CB-CG 4.24Å; M546-K548 PolarHBondContact O-N 3.01Å; K548-K550 PolarHBondContact O-N 3.38Å
549	H	29.1	Very low	28.6	Very low	181 Å²	181	158.8 Å²	158.8	84%	0.838	80%	0.798	S	S	*	*			trans	-86.6	88.5	151.2	-87	-66.7	0	0	0	109.4	V547	V547-H549 PolarHBondContact O-N 3.18Å; V547-H549 VanDerWaalsContact O-N 3.11Å
550	K	24.2	Very low	29.4	Very low	184 Å²	184	157.2 Å²	157.2	80%	0.8	79%	0.787	S	S	*	*			trans	-82	112	168.3	-165.3	-178.2	-172	-175.9	0	107.1	K548	K548-K550 PolarHBondContact O-N 3.38Å
551	S	27.3	Very low	30.8	Very low	114 Å²	114	154.3 Å²	154.3	80%	0.797	78%	0.777	S	S	*	*			trans	-148.2	94.9	153.2	61.9	0	0	0	0	111.3
552	N	25.8	Very low	32.6	Very low	141 Å²	141	154 Å²	154	75%	0.754	78%	0.775	S	S	*	*			trans	30.2	114.7	148.4	-65	-9.7	0	0	0	119.7	S554	N552-S554 PolarHBondContact O-N 2.75Å
553	S	26.1	Very low	34.2	Very low	106 Å²	106	151.7 Å²	151.7	74%	0.741	76%	0.762	S	S	*	*			trans	-42.2	124.5	145.3	63.9	0	0	0	0	112.1
554	S	32	Very low	35.7	Very low	107 Å²	107	148.3 Å²	148.3	75%	0.748	74%	0.737	S	S	*	*			trans	-117.5	81.9	138.1	62.7	0	0	0	0	107.2	N552 R556	N552-S554 PolarHBondContact O-N 2.75Å; S554-R556 PolarHBondContact O-N 2.84Å
555	K	31.2	Very low	37.3	Very low	200 Å²	200	145.5 Å²	145.5	87%	0.87	72%	0.723	S	S	*	*			trans	-62.6	79.4	157.3	-76.6	179.6	177.8	174.3	0	106.8	K557	K555-K557 PolarHBondContact O-N 2.82Å
556	R	28.5	Very low	39.3	Very low	236 Å²	236	143.2 Å²	143.2	89%	0.891	70%	0.703	S	S	*	*			trans	-72.1	88.3	169.5	-135.6	175.8	-172.9	160.9	1.1	105.1	S554 R558	S554-R556 PolarHBondContact O-N 2.84Å; R556-R558 VanDerWaalsContact C-N 3.27Å; R556-R558 PolarHBondContact O-N 3.33Å
557	K	29.8	Very low	40.8	Very low	196 Å²	196	137.3 Å²	137.3	85%	0.852	68%	0.675	S	S	*	*			trans	-51.4	100	162.2	-90.4	179.8	172.6	178.3	0	105.7	K555 R559	K555-K557 PolarHBondContact O-N 2.82Å; K557-R559 PolarHBondContact O-N 3.22Å
558	R	39.1	Very low	42.2	Very low	230 Å²	230	133.2 Å²	133.2	87%	0.868	65%	0.651	S	S	*	*			trans	-59.1	107.1	165.7	-117.2	179	176	176.5	-1.5	104	R556 T560	R556-R558 VanDerWaalsContact C-N 3.27Å; R556-R558 PolarHBondContact O-N 3.33Å; R558-T560 PolarHBondContact O-N 3.35Å
559	R	35.5	Very low	44.1	Very low	245 Å²	245	131.3 Å²	131.3	93%	0.925	65%	0.648	S	S	*	*			trans	-62.3	86.3	165.1	-86.5	-178.3	168.9	-179.4	-3.2	105.6	K557 G561	K557-R559 PolarHBondContact O-N 3.22Å; R559-G561 PolarHBondContact O-N 2.94Å; R559-G561 VanDerWaalsContact O-N 3.11Å
560	T	45.2	Very low	45.7	Very low	87 Å²	87	128.2 Å²	128.2	53%	0.534	64%	0.637	S	S	.	*			trans	-61.1	110.8	158.4	42.7	0	0	0	0	104.6	R558	R558-T560 PolarHBondContact O-N 3.35Å
561	G	54	Low	47.7	Very low	42 Å²	42	122.4 Å²	122.4	43%	0.433	61%	0.612	S	S	.	*			trans	-57.6	159.3	-175.1	0	0	0	0	0	111.1	R559 I563 H564 F565	R559-G561 PolarHBondContact O-N 2.94Å; R559-G561 VanDerWaalsContact O-N 3.11Å; G561-I563 PolarHBondContact O-N 3.25Å; G561-H564 PolarHBondContact O-N 3.41Å; G561-F565 PolarHBondContact O-N 2.91Å
562	L	64.1	Low	49.4	Very low	138 Å²	138	118.6 Å²	118.6	72%	0.723	59%	0.591	S	S	*	*	H	α-helix	trans	-45.6	-33.3	178.2	-173.2	148.2	0	0	0	112.9	F565 V566	L562-F565 WeakPolarHBondContact O-CB 3.27Å; L562-F565 PolarHBondContact O-N 2.71Å; L562-V566 HydrophobicContact CD2-CG2 3.88Å; L562-V566 WeakPolarHBondContact O-CG2 3.48Å; L562-V566 PolarHBondContact O-N 3.35Å
563	I	63.3	Low	51	Low	129 Å²	129	121.7 Å²	121.7	66%	0.662	59%	0.592	S	S	*	*	H	α-helix	trans	-58.1	-49.6	174	-62.2	169.6	0	0	0	112.2	G561 F565 V566 L567	G561-I563 PolarHBondContact O-N 3.25Å; I563-F565 VanDerWaalsContact C-N 3.28Å; I563-F565 PolarHBondContact O-N 3.38Å; I563-V566 PolarHBondContact O-N 3.02Å; I563-L567 HydrophobicContact CG2-CD1 3.75Å; I563-L567 HydrophobicContact CG2-CG 4.35Å; I563-L567 WeakPolarHBondContact O-CB 3.5Å; I563-L567 WeakPolarHBondContact O-CG 3.45Å; I563-L567 PolarHBondContact O-N 3.12Å
564	H	58.9	Low	52.8	Low	57 Å²	57	117.4 Å²	117.4	26%	0.264	56%	0.56	S	S	.	*	H	α-helix	trans	-65.2	-34.8	178.6	-173	-72.1	0	0	0	111.5	G561 C568	G561-H564 PolarHBondContact O-N 3.41Å; H564-C568 PolarHBondContact CE1-SG 3.04Å; H564-C568 PolarHBondContact ND1-SG 2.92Å; H564-C568 VanDerWaalsContact ND1-SG 3.4Å; H564-C568 WeakPolarHBondContact O-CB 3.33Å; H564-C568 PolarHBondContact O-N 3.43Å; H564-C568 PolarHBondContact O-SG 2.84Å
565	F	61.5	Low	54.4	Low	125 Å²	125	118.6 Å²	118.6	55%	0.548	55%	0.554	S	S	.	*	H	α-helix	trans	-65.3	-47	174.7	176	-101.5	0	0	0	111.9	G561 L562 I563 L567 C568 L569	G561-F565 PolarHBondContact O-N 2.91Å; L562-F565 WeakPolarHBondContact O-CB 3.27Å; L562-F565 PolarHBondContact O-N 2.71Å; I563-F565 VanDerWaalsContact C-N 3.28Å; I563-F565 PolarHBondContact O-N 3.38Å; F565-L567 VanDerWaalsContact C-N 3.34Å; F565-L567 PolarHBondContact O-N 3.38Å; F565-C568 PolarHBondContact O-N 2.9Å; F565-L569 HydrophobicContact CD1-CD1 3.89Å; F565-L569 HydrophobicContact CE1-CD1 3.3Å; F565-L569 HydrophobicContact CE1-CG 4.2Å; F565-L569 HydrophobicContact CE2-CD1 4.35Å; F565-L569 HydrophobicContact CE2-CG 4.45Å; F565-L569 HydrophobicContact CZ-CD1 3.58Å; F565-L569 HydrophobicContact CZ-CG 4.12Å; F565-L569 PolarHBondContact O-N 3.3Å
566	V	67.4	Low	56.3	Low	62 Å²	62	111.8 Å²	111.8	38%	0.376	53%	0.529	S	S	.	.	H	α-helix	trans	-61.6	-42.4	175.8	172.4	0	0	0	0	111	L562 I563 L569 L570	L562-V566 HydrophobicContact CD2-CG2 3.88Å; L562-V566 WeakPolarHBondContact O-CG2 3.48Å; L562-V566 PolarHBondContact O-N 3.35Å; I563-V566 PolarHBondContact O-N 3.02Å; V566-L569 PolarHBondContact O-N 3.37Å; V566-L570 HydrophobicContact CG1-CD1 3.98Å; V566-L570 WeakPolarHBondContact O-CG 3.39Å; V566-L570 PolarHBondContact O-N 2.9Å
567	L	57.5	Low	58.4	Low	18 Å²	18	110.3 Å²	110.3	9%	0.094	52%	0.524	C	S	.	.	H	α-helix	trans	-64.8	-40.6	176.5	-68.7	168.9	0	0	0	111.9	I563 F565 L569 L570 F571 L574 V580 L584	I563-L567 HydrophobicContact CG2-CD1 3.75Å; I563-L567 HydrophobicContact CG2-CG 4.35Å; I563-L567 WeakPolarHBondContact O-CB 3.5Å; I563-L567 WeakPolarHBondContact O-CG 3.45Å; I563-L567 PolarHBondContact O-N 3.12Å; F565-L567 VanDerWaalsContact C-N 3.34Å; F565-L567 PolarHBondContact O-N 3.38Å; L567-L569 VanDerWaalsContact C-N 3.31Å; L567-L569 PolarHBondContact O-N 3.37Å; L567-L570 PolarHBondContact O-N 3.13Å; L567-F571 HydrophobicContact CB-CD2 4.46Å; L567-F571 HydrophobicContact CD2-CD2 4.06Å; L567-F571 HydrophobicContact CD2-CE2 3.74Å; L567-F571 WeakPolarHBondContact O-CB 3.41Å; L567-F571 WeakPolarHBondContact O-CD2 3.45Å; L567-F571 PolarHBondContact O-N 3.29Å; L567-L574 HydrophobicContact CB-CD1 3.63Å; L567-L574 WeakPolarHBondContact O-CD1 3.39Å; L567-V580 HydrophobicContact CD1-CG1 3.71Å; L567-L584 HydrophobicContact CD2-CD2 3.86Å; L567-L584 HydrophobicContact CD2-CG 4.31Å
568	C	61.6	Low	60.2	Low	38 Å²	38	109.3 Å²	109.3	26%	0.257	52%	0.52	S	S	.	.	H	α-helix	trans	-66.8	-31.6	174.4	-76.5	0	0	0	0	113.2	H564 F565 G572	H564-C568 PolarHBondContact CE1-SG 3.04Å; H564-C568 PolarHBondContact ND1-SG 2.92Å; H564-C568 VanDerWaalsContact ND1-SG 3.4Å; H564-C568 WeakPolarHBondContact O-CB 3.33Å; H564-C568 PolarHBondContact O-N 3.43Å; H564-C568 PolarHBondContact O-SG 2.84Å; F565-C568 PolarHBondContact O-N 2.9Å; C568-G572 VanDerWaalsContact CA-O 3.23Å; C568-G572 WeakPolarHBondContact CA-O 3.44Å; C568-G572 CarbonylContact O-C 3.59Å; C568-G572 WeakPolarHBondContact O-CA 3.41Å; C568-G572 PolarHBondContact O-N 3.47Å
569	L	63.8	Low	61.7	Low	122 Å²	122	100.9 Å²	100.9	64%	0.639	49%	0.492	S	S	*	.	H	α-helix	trans	-69.3	-39	172.9	-79.7	173.9	0	0	0	112.1	F565 V566 L567	F565-L569 HydrophobicContact CD1-CD1 3.89Å; F565-L569 HydrophobicContact CE1-CD1 3.3Å; F565-L569 HydrophobicContact CE1-CG 4.2Å; F565-L569 HydrophobicContact CE2-CD1 4.35Å; F565-L569 HydrophobicContact CE2-CG 4.45Å; F565-L569 HydrophobicContact CZ-CD1 3.58Å; F565-L569 HydrophobicContact CZ-CG 4.12Å; F565-L569 PolarHBondContact O-N 3.3Å; V566-L569 PolarHBondContact O-N 3.37Å; L567-L569 VanDerWaalsContact C-N 3.31Å; L567-L569 PolarHBondContact O-N 3.37Å
570	L	63.6	Low	63.4	Low	116 Å²	116	89.6 Å²	89.6	61%	0.607	45%	0.45	S	S	*	.	H	α-helix	trans	-76	-40.4	-179.3	-72.3	170.7	0	0	0	113	V566 L567	V566-L570 HydrophobicContact CG1-CD1 3.98Å; V566-L570 WeakPolarHBondContact O-CG 3.39Å; V566-L570 PolarHBondContact O-N 2.9Å; L567-L570 PolarHBondContact O-N 3.13Å
571	F	64.7	Low	64.8	Low	61 Å²	61	87.7 Å²	87.7	27%	0.268	44%	0.44	S	S	.	.	H	α-helix	trans	-116.4	-4.8	-169.3	-57.9	-71	0	0	0	114.3	L567 L574 E583 L587	L567-F571 HydrophobicContact CB-CD2 4.46Å; L567-F571 HydrophobicContact CD2-CD2 4.06Å; L567-F571 HydrophobicContact CD2-CE2 3.74Å; L567-F571 WeakPolarHBondContact O-CB 3.41Å; L567-F571 WeakPolarHBondContact O-CD2 3.45Å; L567-F571 PolarHBondContact O-N 3.29Å; F571-L574 HydrophobicContact CB-CD1 4.24Å; F571-L574 HydrophobicContact CB-CD2 4.34Å; F571-L574 HydrophobicContact CB-CG 4.42Å; F571-E583 HydrophobicContact CB-CB 4.39Å; F571-E583 HydrophobicContact CB-CG 4.05Å; F571-E583 HydrophobicContact CD1-CB 3.74Å; F571-E583 HydrophobicContact CD1-CG 3.96Å; F571-E583 VanDerWaalsContact CD1-OE2 3.27Å; F571-E583 WeakPolarHBondContact CD1-OE2 3.36Å; F571-E583 HydrophobicContact CD2-CB 3.97Å; F571-E583 HydrophobicContact CE1-CB 3.9Å; F571-E583 HydrophobicContact CE2-CB 4.12Å; F571-E583 HydrophobicContact CG-CB 3.77Å; F571-E583 HydrophobicContact CG-CG 3.95Å; F571-E583 HydrophobicContact CZ-CB 4.08Å; F571-L587 HydrophobicContact CZ-CB 4.04Å; F571-L587 HydrophobicContact CZ-CD2 4.14Å
572	G	64.2	Low	65.9	Low	34 Å²	34	86.8 Å²	86.8	35%	0.351	43%	0.425	S	S	.	.	S	Bend	trans	82.9	-148.2	-176.3	0	0	0	0	0	113.8	C568 L574	C568-G572 VanDerWaalsContact CA-O 3.23Å; C568-G572 WeakPolarHBondContact CA-O 3.44Å; C568-G572 CarbonylContact O-C 3.59Å; C568-G572 WeakPolarHBondContact O-CA 3.41Å; C568-G572 PolarHBondContact O-N 3.47Å; G572-L574 PolarHBondContact O-N 3.45Å
573	R	59	Low	66.6	Low	207 Å²	207	82.1 Å²	82.1	78%	0.781	40%	0.399	S	S	*	.			trans	-73.1	98.7	-172	-176.5	173.2	146.7	142.2	-4.1	110.7	E575	R573-E575 HydrophobicContact CG-CG 4.01Å; R573-E575 IonicContact CZ-OE1 3.12Å; R573-E575 IonicContact NE-OE1 3.01Å; R573-E575 PolarHBondContact NE-OE1 3.48Å; R573-E575 VanDerWaalsContact NH2-CD 3.25Å; R573-E575 IonicContact NH2-OE1 3.72Å; R573-E575 PolarHBondContact NH2-OE1 2.96Å; R573-E575 IonicContact NH2-OE2 2.86Å
574	L	64.4	Low	67.3	Low	15 Å²	15	79.6 Å²	79.6	8%	0.079	39%	0.387	C	S	.	.			trans	-92.3	107.1	172.8	-66	160.4	0	0	0	108.6	L567 F571 G572 D579 V580 E583	L567-L574 HydrophobicContact CB-CD1 3.63Å; L567-L574 WeakPolarHBondContact O-CD1 3.39Å; F571-L574 HydrophobicContact CB-CD1 4.24Å; F571-L574 HydrophobicContact CB-CD2 4.34Å; F571-L574 HydrophobicContact CB-CG 4.42Å; G572-L574 PolarHBondContact O-N 3.45Å; L574-D579 HydrophobicContact CD2-CB 3.95Å; L574-V580 HydrophobicContact CB-CG2 4.1Å; L574-V580 HydrophobicContact CD1-CG2 4.13Å; L574-V580 HydrophobicContact CD2-CG2 4.26Å; L574-V580 HydrophobicContact CG-CG2 4.4Å; L574-E583 HydrophobicContact CD2-CG 3.97Å
575	E	65.2	Low	68.4	Low	132 Å²	132	77.3 Å²	77.3	62%	0.617	38%	0.377	S	S	*	.			trans	-89.6	-32	-177.1	-64	-174.7	-163.3	0	0	112.2	R573	R573-E575 HydrophobicContact CG-CG 4.01Å; R573-E575 IonicContact CZ-OE1 3.12Å; R573-E575 IonicContact NE-OE1 3.01Å; R573-E575 PolarHBondContact NE-OE1 3.48Å; R573-E575 VanDerWaalsContact NH2-CD 3.25Å; R573-E575 IonicContact NH2-OE1 3.72Å; R573-E575 PolarHBondContact NH2-OE1 2.96Å; R573-E575 IonicContact NH2-OE2 2.86Å
576	T	71.3	Confident	69.4	Low	57 Å²	57	73.1 Å²	73.1	35%	0.35	36%	0.363	S	S	.	.	S	Bend	trans	-128.4	153.9	-175.5	77.2	0	0	0	0	112.6	K578 D579 V580	T576-K578 PolarHBondContact O-N 3.1Å; T576-K578 PolarHBondContact OG1-N 3.32Å; T576-D579 WeakPolarHBondContact CB-OD2 3.46Å; T576-D579 PolarHBondContact N-OD2 2.98Å; T576-D579 WeakPolarHBondContact O-CB 3.2Å; T576-D579 PolarHBondContact O-N 3.04Å; T576-D579 VanDerWaalsContact O-N 3.12Å; T576-D579 PolarHBondContact OG1-N 2.86Å; T576-D579 PolarHBondContact OG1-OD1 2.87Å; T576-D579 PolarHBondContact OG1-OD2 3.46Å; T576-V580 PolarHBondContact O-N 3.12Å
577	W	71.3	Confident	70.1	Confident	205 Å²	205	73.7 Å²	73.7	78%	0.777	36%	0.364	S	S	*	.	H	α-helix	trans	-58.7	-26.4	172.1	-79.2	107.9	0	0	0	113.1	V580 C581	W577-V580 PolarHBondContact O-N 3.11Å; W577-C581 PolarHBondContact O-N 3.5Å; W577-C581 PolarHBondContact O-SG 3.09Å
578	K	67.9	Low	71.4	Confident	175 Å²	175	74 Å²	74	76%	0.761	37%	0.369	S	S	*	.	H	α-helix	trans	-68	-40.2	176.9	-67.8	177.4	-179.5	170.4	0	111.1	T576 C581 L582	T576-K578 PolarHBondContact O-N 3.1Å; T576-K578 PolarHBondContact OG1-N 3.32Å; K578-C581 PolarHBondContact O-N 3.18Å; K578-L582 PolarHBondContact O-N 3.3Å
579	D	70.3	Confident	72.6	Confident	54 Å²	54	72.2 Å²	72.2	29%	0.289	36%	0.357	S	S	.	.	H	α-helix	trans	-64	-44.8	175.7	-50.3	-37.5	0	0	0	110	L574 T576 C581 L582 E583	L574-D579 HydrophobicContact CD2-CB 3.95Å; T576-D579 WeakPolarHBondContact CB-OD2 3.46Å; T576-D579 PolarHBondContact N-OD2 2.98Å; T576-D579 WeakPolarHBondContact O-CB 3.2Å; T576-D579 PolarHBondContact O-N 3.04Å; T576-D579 VanDerWaalsContact O-N 3.12Å; T576-D579 PolarHBondContact OG1-N 2.86Å; T576-D579 PolarHBondContact OG1-OD1 2.87Å; T576-D579 PolarHBondContact OG1-OD2 3.46Å; D579-C581 VanDerWaalsContact C-N 3.33Å; D579-C581 PolarHBondContact O-N 3.49Å; D579-L582 PolarHBondContact O-N 3.04Å; D579-L582 VanDerWaalsContact O-N 3.15Å; D579-E583 WeakPolarHBondContact O-CG 3.32Å; D579-E583 PolarHBondContact O-N 2.82Å
580	V	72.4	Confident	73.7	Confident	7 Å²	7	68.5 Å²	68.5	4%	0.042	34%	0.344	C	S	.	.	H	α-helix	trans	-55.1	-47.9	174.7	174.6	0	0	0	0	111.6	L567 L574 T576 W577 L584	L567-V580 HydrophobicContact CD1-CG1 3.71Å; L574-V580 HydrophobicContact CB-CG2 4.1Å; L574-V580 HydrophobicContact CD1-CG2 4.13Å; L574-V580 HydrophobicContact CD2-CG2 4.26Å; L574-V580 HydrophobicContact CG-CG2 4.4Å; T576-V580 PolarHBondContact O-N 3.12Å; W577-V580 PolarHBondContact O-N 3.11Å; V580-L584 HydrophobicContact CG1-CD1 3.88Å; V580-L584 HydrophobicContact CG1-CG 4.46Å; V580-L584 WeakPolarHBondContact O-CB 3.36Å; V580-L584 VanDerWaalsContact O-CG 3.32Å; V580-L584 WeakPolarHBondContact O-CG 3.44Å; V580-L584 PolarHBondContact O-N 3.01Å
581	C	75	Confident	74.8	Confident	48 Å²	48	67.3 Å²	67.3	32%	0.324	34%	0.337	S	S	.	.	H	α-helix	trans	-65.1	-37.4	179.2	-71.3	0	0	0	0	112.7	Y303 W577 K578 D579 T585	Y303-C581 HydrophobicContact CE2-CB 3.8Å; W577-C581 PolarHBondContact O-N 3.5Å; W577-C581 PolarHBondContact O-SG 3.09Å; K578-C581 PolarHBondContact O-N 3.18Å; D579-C581 VanDerWaalsContact C-N 3.33Å; D579-C581 PolarHBondContact O-N 3.49Å; C581-T585 WeakPolarHBondContact O-CB 3.4Å; C581-T585 PolarHBondContact O-N 3.45Å; C581-T585 PolarHBondContact O-OG1 2.84Å
582	L	75.6	Confident	76	Confident	23 Å²	23	66.6 Å²	66.6	12%	0.12	33%	0.334	C	S	.	.	H	α-helix	trans	-65.1	-48.5	177.4	-175.1	70.5	0	0	0	110.9	I302 K578 D579 L584 T585 C586	I302-L582 HydrophobicContact CG2-CD1 3.95Å; K578-L582 PolarHBondContact O-N 3.3Å; D579-L582 PolarHBondContact O-N 3.04Å; D579-L582 VanDerWaalsContact O-N 3.15Å; L582-L584 PolarHBondContact O-N 3.14Å; L582-T585 WeakPolarHBondContact O-CB 3.47Å; L582-T585 PolarHBondContact O-N 3.03Å; L582-T585 VanDerWaalsContact O-N 3.14Å; L582-C586 PolarHBondContact O-N 2.98Å
583	E	79.2	Confident	77.2	Confident	39 Å²	39	66.1 Å²	66.1	18%	0.182	32%	0.323	C	S	.	.	H	α-helix	trans	-63.7	-42.8	179.5	-68.5	-55.3	151	0	0	112.1	F571 L574 D579 T585 C586 L587	F571-E583 HydrophobicContact CB-CB 4.39Å; F571-E583 HydrophobicContact CB-CG 4.05Å; F571-E583 HydrophobicContact CD1-CB 3.74Å; F571-E583 HydrophobicContact CD1-CG 3.96Å; F571-E583 VanDerWaalsContact CD1-OE2 3.27Å; F571-E583 WeakPolarHBondContact CD1-OE2 3.36Å; F571-E583 HydrophobicContact CD2-CB 3.97Å; F571-E583 HydrophobicContact CE1-CB 3.9Å; F571-E583 HydrophobicContact CE2-CB 4.12Å; F571-E583 HydrophobicContact CG-CB 3.77Å; F571-E583 HydrophobicContact CG-CG 3.95Å; F571-E583 HydrophobicContact CZ-CB 4.08Å; L574-E583 HydrophobicContact CD2-CG 3.97Å; D579-E583 WeakPolarHBondContact O-CG 3.32Å; D579-E583 PolarHBondContact O-N 2.82Å; E583-T585 VanDerWaalsContact C-N 3.28Å; E583-T585 PolarHBondContact O-N 2.78Å; E583-C586 WeakPolarHBondContact O-CB 3.4Å; E583-C586 PolarHBondContact O-N 3.17Å; E583-L587 PolarHBondContact O-N 2.91Å
584	L	79.1	Confident	78.6	Confident	76 Å²	76	60 Å²	60	40%	0.398	31%	0.311	S	S	.	.	H	α-helix	trans	-60.8	-37.8	173.3	-77	172.9	0	0	0	112.3	L567 V580 L582 A588	L567-L584 HydrophobicContact CD2-CD2 3.86Å; L567-L584 HydrophobicContact CD2-CG 4.31Å; V580-L584 HydrophobicContact CG1-CD1 3.88Å; V580-L584 HydrophobicContact CG1-CG 4.46Å; V580-L584 WeakPolarHBondContact O-CB 3.36Å; V580-L584 VanDerWaalsContact O-CG 3.32Å; V580-L584 WeakPolarHBondContact O-CG 3.44Å; V580-L584 PolarHBondContact O-N 3.01Å; L582-L584 PolarHBondContact O-N 3.14Å; L584-A588 WeakPolarHBondContact O-CB 3.34Å; L584-A588 PolarHBondContact O-N 3.15Å
585	T	80.8	Confident	79.8	Confident	10 Å²	10	61.9 Å²	61.9	6%	0.061	32%	0.321	C	S	.	.	H	α-helix	trans	-67.6	-39.6	176.2	-57.4	0	0	0	0	110.9	G306 L310 C581 L582 E583 N589	G306-T585 VanDerWaalsContact C-CG2 3.42Å; G306-T585 WeakPolarHBondContact O-CG2 3.22Å; L310-T585 HydrophobicContact CD1-CG2 4.08Å; C581-T585 WeakPolarHBondContact O-CB 3.4Å; C581-T585 PolarHBondContact O-N 3.45Å; C581-T585 PolarHBondContact O-OG1 2.84Å; L582-T585 WeakPolarHBondContact O-CB 3.47Å; L582-T585 PolarHBondContact O-N 3.03Å; L582-T585 VanDerWaalsContact O-N 3.14Å; E583-T585 VanDerWaalsContact C-N 3.28Å; E583-T585 PolarHBondContact O-N 2.78Å; T585-N589 WeakPolarHBondContact O-CB 3.45Å; T585-N589 PolarHBondContact O-N 3.5Å; T585-N589 PolarHBondContact O-ND2 3.17Å
586	C	82.4	Confident	80.9	Confident	37 Å²	37	55.8 Å²	55.8	25%	0.25	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-47.6	174.9	-168.9	0	0	0	0	111.6	L582 E583 A588 N589 A590	L582-C586 PolarHBondContact O-N 2.98Å; E583-C586 WeakPolarHBondContact O-CB 3.4Å; E583-C586 PolarHBondContact O-N 3.17Å; C586-A588 PolarHBondContact O-N 3.49Å; C586-N589 WeakPolarHBondContact O-CB 3.09Å; C586-N589 PolarHBondContact O-N 3.37Å; C586-A590 PolarHBondContact O-N 3.45Å
587	L	82.5	Confident	81.7	Confident	74 Å²	74	58 Å²	58	39%	0.387	30%	0.302	S	S	.	.	H	α-helix	trans	-59.2	-46.9	176.2	-179.9	67.7	0	0	0	111.9	F571 E583 N589 A590 I591	F571-L587 HydrophobicContact CZ-CB 4.04Å; F571-L587 HydrophobicContact CZ-CD2 4.14Å; E583-L587 PolarHBondContact O-N 2.91Å; L587-N589 PolarHBondContact O-N 3.06Å; L587-A590 WeakPolarHBondContact O-CB 3.47Å; L587-A590 PolarHBondContact O-N 3.49Å; L587-I591 HydrophobicContact CD1-CD1 4.48Å; L587-I591 HydrophobicContact CG-CD1 4.1Å; L587-I591 WeakPolarHBondContact O-CG1 3.41Å; L587-I591 PolarHBondContact O-N 3.03Å
588	A	84.3	Confident	82.5	Confident	25 Å²	25	54.5 Å²	54.5	21%	0.207	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-40.7	178.1	0	0	0	0	0	112.1	L310 L584 C586 A590 I591 F592	L310-A588 HydrophobicContact CD1-CB 3.45Å; L310-A588 VanDerWaalsContact CD1-CB 3.45Å; L310-A588 HydrophobicContact CG-CB 4.35Å; L584-A588 WeakPolarHBondContact O-CB 3.34Å; L584-A588 PolarHBondContact O-N 3.15Å; C586-A588 PolarHBondContact O-N 3.49Å; A588-A590 VanDerWaalsContact C-N 3.32Å; A588-A590 PolarHBondContact O-N 3.49Å; A588-I591 PolarHBondContact O-N 3.02Å; A588-F592 WeakPolarHBondContact O-CD2 3.49Å; A588-F592 PolarHBondContact O-N 3.05Å
589	N	86.7	Confident	83.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.5	-44.6	171.9	-85.8	-48.9	0	0	0	111.8	G306 S309 L310 L313 T585 C586 L587 F592 L593	G306-N589 PolarHBondContact O-ND2 3.04Å; G306-N589 VanDerWaalsContact O-ND2 3.12Å; S309-N589 VanDerWaalsContact C-OD1 3.3Å; S309-N589 PolarHBondContact OG-OD1 3.49Å; L310-N589 WeakPolarHBondContact CA-OD1 3.42Å; L310-N589 WeakPolarHBondContact CB-OD1 3.44Å; L310-N589 PolarHBondContact N-OD1 3.09Å; L313-N589 HydrophobicContact CD1-CB 4.3Å; T585-N589 WeakPolarHBondContact O-CB 3.45Å; T585-N589 PolarHBondContact O-N 3.5Å; T585-N589 PolarHBondContact O-ND2 3.17Å; C586-N589 WeakPolarHBondContact O-CB 3.09Å; C586-N589 PolarHBondContact O-N 3.37Å; L587-N589 PolarHBondContact O-N 3.06Å; N589-F592 PolarHBondContact O-N 2.91Å; N589-L593 WeakPolarHBondContact O-CB 3.35Å; N589-L593 PolarHBondContact O-N 2.86Å
590	A	87.3	Confident	84.2	Confident	44 Å²	44	45.8 Å²	45.8	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-62.8	-44.5	177.9	0	0	0	0	0	112	C586 L587 A588 L593 S594	C586-A590 PolarHBondContact O-N 3.45Å; L587-A590 WeakPolarHBondContact O-CB 3.47Å; L587-A590 PolarHBondContact O-N 3.49Å; A588-A590 VanDerWaalsContact C-N 3.32Å; A588-A590 PolarHBondContact O-N 3.49Å; A590-L593 PolarHBondContact O-N 2.98Å; A590-S594 PolarHBondContact O-N 3.47Å; A590-S594 PolarHBondContact O-OG 3.36Å
591	I	88	Confident	84.8	Confident	91 Å²	91	53.4 Å²	53.4	47%	0.467	28%	0.282	S	S	.	.	H	α-helix	trans	-59	-49.7	176.8	-68.1	166.5	0	0	0	110.8	L587 A588 L593 S594 I595	L587-I591 HydrophobicContact CD1-CD1 4.48Å; L587-I591 HydrophobicContact CG-CD1 4.1Å; L587-I591 WeakPolarHBondContact O-CG1 3.41Å; L587-I591 PolarHBondContact O-N 3.03Å; A588-I591 PolarHBondContact O-N 3.02Å; I591-L593 VanDerWaalsContact C-N 3.35Å; I591-L593 PolarHBondContact O-N 3.36Å; I591-S594 WeakPolarHBondContact O-CB 3.37Å; I591-S594 PolarHBondContact O-N 3.35Å; I591-I595 HydrophobicContact CG2-CD1 4.05Å; I591-I595 WeakPolarHBondContact O-CG1 3.44Å; I591-I595 PolarHBondContact O-N 2.58Å
592	F	89.6	Confident	85.1	Confident	46 Å²	46	56 Å²	56	20%	0.202	29%	0.285	C	S	.	.	H	α-helix	trans	-66.1	-36.5	179	-74.4	-63.5	0	0	0	112.4	L313 Y314 A588 N589 S594 I595 V596	L313-F592 HydrophobicContact CB-CB 3.75Å; Y314-F592 AromaticContact CD2-CE1 3.77Å; Y314-F592 HydrophobicContact CD2-CE1 3.77Å; Y314-F592 AromaticContact CD2-CZ 3.75Å; Y314-F592 HydrophobicContact CD2-CZ 3.75Å; Y314-F592 HydrophobicContact CG-CZ 4.44Å; A588-F592 WeakPolarHBondContact O-CD2 3.49Å; A588-F592 PolarHBondContact O-N 3.05Å; N589-F592 PolarHBondContact O-N 2.91Å; F592-S594 VanDerWaalsContact C-N 3.34Å; F592-S594 PolarHBondContact O-N 3.26Å; F592-I595 HydrophobicContact CD1-CD1 4.12Å; F592-I595 WeakPolarHBondContact O-CB 3.34Å; F592-I595 PolarHBondContact O-N 3Å; F592-V596 WeakPolarHBondContact O-CG2 3.5Å; F592-V596 PolarHBondContact O-N 3.21Å
593	L	89	Confident	85.3	Confident	24 Å²	24	55.1 Å²	55.1	13%	0.126	28%	0.281	C	S	.	.	H	α-helix	trans	-60.9	-43.4	173.6	-176.6	69.2	0	0	0	111.6	L313 W378 N589 A590 I591 I595 V596 I597	L313-L593 HydrophobicContact CD2-CD1 4.45Å; W378-L593 HydrophobicContact CD2-CD2 4.03Å; W378-L593 HydrophobicContact CE3-CD1 4.39Å; W378-L593 HydrophobicContact CE3-CD2 3.93Å; W378-L593 HydrophobicContact CH2-CD2 3.37Å; W378-L593 HydrophobicContact CZ2-CD2 3.47Å; W378-L593 VanDerWaalsContact CZ2-CD2 3.47Å; W378-L593 HydrophobicContact CZ3-CD2 3.61Å; N589-L593 WeakPolarHBondContact O-CB 3.35Å; N589-L593 PolarHBondContact O-N 2.86Å; A590-L593 PolarHBondContact O-N 2.98Å; I591-L593 VanDerWaalsContact C-N 3.35Å; I591-L593 PolarHBondContact O-N 3.36Å; L593-I595 VanDerWaalsContact C-N 3.31Å; L593-I595 PolarHBondContact O-N 2.91Å; L593-V596 PolarHBondContact O-N 2.9Å; L593-I597 HydrophobicContact CG-CD1 4.03Å; L593-I597 VanDerWaalsContact O-CG1 3.31Å; L593-I597 WeakPolarHBondContact O-CG1 3.41Å; L593-I597 PolarHBondContact O-N 3.4Å
594	S	88.8	Confident	85.4	Confident	77 Å²	77	57.9 Å²	57.9	54%	0.538	30%	0.295	S	S	.	.	H	α-helix	trans	-60.3	-40.4	174.7	-60.4	0	0	0	0	112.1	A590 I591 F592 I597 Y598	A590-S594 PolarHBondContact O-N 3.47Å; A590-S594 PolarHBondContact O-OG 3.36Å; I591-S594 WeakPolarHBondContact O-CB 3.37Å; I591-S594 PolarHBondContact O-N 3.35Å; F592-S594 VanDerWaalsContact C-N 3.34Å; F592-S594 PolarHBondContact O-N 3.26Å; S594-I597 PolarHBondContact O-N 3.31Å; S594-Y598 WeakPolarHBondContact O-CB 3.24Å; S594-Y598 PolarHBondContact O-N 3.39Å
595	I	89.2	Confident	85.3	Confident	56 Å²	56	60.6 Å²	60.6	29%	0.287	30%	0.3	S	S	.	.	H	α-helix	trans	-62.9	-46.6	174.5	-65.9	166.7	0	0	0	110.7	I321 I591 F592 L593 I597 Y598 C599	I321-I595 HydrophobicContact CD1-CG2 4.45Å; I591-I595 HydrophobicContact CG2-CD1 4.05Å; I591-I595 WeakPolarHBondContact O-CG1 3.44Å; I591-I595 PolarHBondContact O-N 2.58Å; F592-I595 HydrophobicContact CD1-CD1 4.12Å; F592-I595 WeakPolarHBondContact O-CB 3.34Å; F592-I595 PolarHBondContact O-N 3Å; L593-I595 VanDerWaalsContact C-N 3.31Å; L593-I595 PolarHBondContact O-N 2.91Å; I595-I597 PolarHBondContact O-N 3.17Å; I595-Y598 PolarHBondContact O-N 3.26Å; I595-C599 WeakPolarHBondContact O-CB 3.31Å; I595-C599 PolarHBondContact O-N 2.92Å; I595-C599 PolarHBondContact O-SG 3.32Å; I595-C599 VanDerWaalsContact O-SG 3.36Å
596	V	89	Confident	84.9	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.018	31%	0.306	C	S	.	.	H	α-helix	trans	-58.2	-47.4	177.4	169.1	0	0	0	0	111	L313 I316 S317 L320 I371 F592 L593 T600	L313-V596 HydrophobicContact CD2-CG2 4.31Å; I316-V596 HydrophobicContact CB-CG2 4.36Å; I316-V596 HydrophobicContact CG2-CG1 4.18Å; I316-V596 HydrophobicContact CG2-CG2 3.9Å; S317-V596 WeakPolarHBondContact OG-CG2 3.47Å; L320-V596 HydrophobicContact CD1-CB 4.24Å; L320-V596 HydrophobicContact CD1-CG1 3.85Å; L320-V596 HydrophobicContact CD1-CG2 4.35Å; I371-V596 HydrophobicContact CG2-CG1 4.17Å; F592-V596 WeakPolarHBondContact O-CG2 3.5Å; F592-V596 PolarHBondContact O-N 3.21Å; L593-V596 PolarHBondContact O-N 2.9Å; V596-T600 VanDerWaalsContact O-CB 3.27Å; V596-T600 WeakPolarHBondContact O-CB 3.43Å; V596-T600 PolarHBondContact O-N 2.8Å; V596-T600 PolarHBondContact O-OG1 3.33Å
597	I	87.5	Confident	84.4	Confident	105 Å²	105	60.8 Å²	60.8	54%	0.538	30%	0.3	S	S	.	.	H	α-helix	trans	-60	-50.1	178.1	-68	166.3	0	0	0	110.3	L593 S594 I595 T600 Y601	L593-I597 HydrophobicContact CG-CD1 4.03Å; L593-I597 VanDerWaalsContact O-CG1 3.31Å; L593-I597 WeakPolarHBondContact O-CG1 3.41Å; L593-I597 PolarHBondContact O-N 3.4Å; S594-I597 PolarHBondContact O-N 3.31Å; I595-I597 PolarHBondContact O-N 3.17Å; I597-T600 PolarHBondContact O-N 3.37Å; I597-Y601 WeakPolarHBondContact O-CB 3.31Å; I597-Y601 PolarHBondContact O-N 3.24Å
598	Y	88.2	Confident	83.9	Confident	131 Å²	131	60.8 Å²	60.8	51%	0.514	30%	0.303	S	S	.	.	H	α-helix	trans	-61	-48.6	-179.9	173.1	-98.6	0	0	0	112.4	S594 I595 T600 Y601 R602	S594-Y598 WeakPolarHBondContact O-CB 3.24Å; S594-Y598 PolarHBondContact O-N 3.39Å; I595-Y598 PolarHBondContact O-N 3.26Å; Y598-T600 VanDerWaalsContact C-N 3.32Å; Y598-T600 PolarHBondContact O-N 3.46Å; Y598-Y601 PolarHBondContact O-N 3.28Å; Y598-R602 WeakPolarHBondContact O-CB 3.42Å; Y598-R602 PolarHBondContact O-N 2.99Å
599	C	87.4	Confident	83.1	Confident	11 Å²	11	62.4 Å²	62.4	7%	0.074	31%	0.308	C	S	.	.	H	α-helix	trans	-68	-32.7	-179.2	-68.6	0	0	0	0	112.5	L320 N324 I595 L603	L320-C599 HydrophobicContact CB-CB 3.74Å; L320-C599 HydrophobicContact CD1-CB 4.19Å; L320-C599 HydrophobicContact CG-CB 4.46Å; N324-C599 PolarHBondContact ND2-O 3.44Å; I595-C599 WeakPolarHBondContact O-CB 3.31Å; I595-C599 PolarHBondContact O-N 2.92Å; I595-C599 PolarHBondContact O-SG 3.32Å; I595-C599 VanDerWaalsContact O-SG 3.36Å; C599-L603 VanDerWaalsContact O-CB 3.27Å; C599-L603 WeakPolarHBondContact O-CB 3.49Å; C599-L603 PolarHBondContact O-N 3.22Å
600	T	85.8	Confident	82	Confident	35 Å²	35	65.7 Å²	65.7	22%	0.215	33%	0.328	C	S	.	.	H	α-helix	trans	-67.4	-46.3	173.6	-55.4	0	0	0	0	110.5	L320 V596 I597 Y598 R602 L603 M604	L320-T600 WeakPolarHBondContact CD1-OG1 3.08Å; V596-T600 VanDerWaalsContact O-CB 3.27Å; V596-T600 WeakPolarHBondContact O-CB 3.43Å; V596-T600 PolarHBondContact O-N 2.8Å; V596-T600 PolarHBondContact O-OG1 3.33Å; I597-T600 PolarHBondContact O-N 3.37Å; Y598-T600 VanDerWaalsContact C-N 3.32Å; Y598-T600 PolarHBondContact O-N 3.46Å; T600-R602 PolarHBondContact O-N 3.48Å; T600-L603 PolarHBondContact O-N 3.04Å; T600-M604 WeakPolarHBondContact O-CG 3.41Å; T600-M604 PolarHBondContact O-N 3.42Å
601	Y	85.9	Confident	80.8	Confident	166 Å²	166	71.4 Å²	71.4	65%	0.651	35%	0.345	S	S	*	.	H	α-helix	trans	-59	-46.2	176	177.2	-99.3	0	0	0	111.8	I597 Y598 L603 M604 Y605	I597-Y601 WeakPolarHBondContact O-CB 3.31Å; I597-Y601 PolarHBondContact O-N 3.24Å; Y598-Y601 PolarHBondContact O-N 3.28Å; Y601-L603 PolarHBondContact O-N 3.23Å; Y601-M604 PolarHBondContact O-N 2.93Å; Y601-Y605 WeakPolarHBondContact O-CB 3.21Å; Y601-Y605 PolarHBondContact O-N 3.1Å
602	R	81.4	Confident	79.7	Confident	103 Å²	103	73.1 Å²	73.1	39%	0.389	36%	0.355	S	S	.	.	H	α-helix	trans	-61.2	-43.8	176.2	-175.1	-177.6	171.7	-173.5	-5.3	112	N324 S328 Y598 T600 M604 Y605 C606	N324-R602 WeakPolarHBondContact OD1-CD 3.3Å; N324-R602 WeakPolarHBondContact OD1-CG 3.47Å; S328-R602 PolarHBondContact OG-NH2 2.96Å; Y598-R602 WeakPolarHBondContact O-CB 3.42Å; Y598-R602 PolarHBondContact O-N 2.99Å; T600-R602 PolarHBondContact O-N 3.48Å; R602-M604 VanDerWaalsContact C-N 3.35Å; R602-M604 PolarHBondContact O-N 3.41Å; R602-Y605 PolarHBondContact O-N 3.4Å; R602-C606 PolarHBondContact O-N 3.34Å; R602-C606 PolarHBondContact O-SG 2.95Å; R602-C606 VanDerWaalsContact O-SG 3.38Å
603	L	80.2	Confident	77.7	Confident	5 Å²	5	79.9 Å²	79.9	3%	0.026	39%	0.394	C	S	.	.	H	α-helix	trans	-60.8	-45.1	177.5	-178.3	66.8	0	0	0	111.1	L320 L323 N324 L327 L364 C599 T600 Y601 C606 L607	L320-L603 HydrophobicContact CD2-CD2 4.03Å; L323-L603 HydrophobicContact CB-CD1 4.44Å; N324-L603 PolarHBondContact OD1-N 3.35Å; L327-L603 HydrophobicContact CD2-CD1 3.88Å; L364-L603 HydrophobicContact CD2-CD1 4.11Å; L364-L603 HydrophobicContact CD2-CD2 3.91Å; L364-L603 HydrophobicContact CD2-CG 4.3Å; C599-L603 VanDerWaalsContact O-CB 3.27Å; C599-L603 WeakPolarHBondContact O-CB 3.49Å; C599-L603 PolarHBondContact O-N 3.22Å; T600-L603 PolarHBondContact O-N 3.04Å; Y601-L603 PolarHBondContact O-N 3.23Å; L603-C606 PolarHBondContact O-N 3.45Å; L603-L607 HydrophobicContact CD1-CD1 4.49Å; L603-L607 HydrophobicContact CG-CD1 4.13Å; L603-L607 WeakPolarHBondContact O-CB 3.4Å; L603-L607 VanDerWaalsContact O-CG 3.3Å; L603-L607 WeakPolarHBondContact O-CG 3.48Å; L603-L607 PolarHBondContact O-N 3.17Å
604	M	80.2	Confident	77.2	Confident	96 Å²	96	82.7 Å²	82.7	47%	0.473	41%	0.407	S	S	.	.	H	α-helix	trans	-60.7	-46.6	175.6	-70.2	-64	101	0	0	111.6	T600 Y601 R602 C606 L607 V608	T600-M604 WeakPolarHBondContact O-CG 3.41Å; T600-M604 PolarHBondContact O-N 3.42Å; Y601-M604 PolarHBondContact O-N 2.93Å; R602-M604 VanDerWaalsContact C-N 3.35Å; R602-M604 PolarHBondContact O-N 3.41Å; M604-C606 PolarHBondContact O-N 3.46Å; M604-L607 HydrophobicContact CE-CD1 3.59Å; M604-L607 PolarHBondContact O-N 3.43Å; M604-V608 WeakPolarHBondContact O-CG2 3.44Å; M604-V608 PolarHBondContact O-N 3.28Å
605	Y	77.2	Confident	76.5	Confident	133 Å²	133	83 Å²	83	52%	0.522	40%	0.4	S	S	.	.	H	α-helix	trans	-58.4	-46.2	176.8	178.7	-98.5	0	0	0	112	Y601 R602 L607 V608 N609	Y601-Y605 WeakPolarHBondContact O-CB 3.21Å; Y601-Y605 PolarHBondContact O-N 3.1Å; R602-Y605 PolarHBondContact O-N 3.4Å; Y605-L607 VanDerWaalsContact C-N 3.35Å; Y605-L607 PolarHBondContact O-N 3.17Å; Y605-V608 PolarHBondContact O-N 2.91Å; Y605-N609 WeakPolarHBondContact CE1-ND2 3.39Å; Y605-N609 VanDerWaalsContact CZ-ND2 3.34Å; Y605-N609 PolarHBondContact O-N 2.82Å; Y605-N609 VanDerWaalsContact O-N 3.11Å; Y605-N609 PolarHBondContact O-OD1 2.68Å; Y605-N609 PolarHBondContact OH-ND2 3.25Å
606	C	72.5	Confident	75.8	Confident	25 Å²	25	84.5 Å²	84.5	17%	0.169	41%	0.407	C	S	.	.	H	α-helix	trans	-65.3	-36.4	177	-70.1	0	0	0	0	112.6	L327 R602 L603 M604 V610	L327-C606 HydrophobicContact CD2-CB 3.37Å; L327-C606 HydrophobicContact CG-CB 4.19Å; R602-C606 PolarHBondContact O-N 3.34Å; R602-C606 PolarHBondContact O-SG 2.95Å; R602-C606 VanDerWaalsContact O-SG 3.38Å; L603-C606 PolarHBondContact O-N 3.45Å; M604-C606 PolarHBondContact O-N 3.46Å; C606-V610 VanDerWaalsContact O-CG2 3.27Å; C606-V610 WeakPolarHBondContact O-CG2 3.41Å; C606-V610 PolarHBondContact O-N 3.15Å
607	L	71.6	Confident	75.1	Confident	26 Å²	26	89.3 Å²	89.3	14%	0.136	43%	0.429	C	S	.	.	H	α-helix	trans	-67.8	-44.4	176.7	-74.7	169.1	0	0	0	112.1	L327 L364 L603 M604 Y605 N609 V610 F611	L327-L607 HydrophobicContact CD2-CD2 4.27Å; L327-L607 HydrophobicContact CD2-CG 4.25Å; L364-L607 HydrophobicContact CD1-CD1 3.89Å; L364-L607 HydrophobicContact CD1-CD2 3.68Å; L364-L607 HydrophobicContact CD1-CG 4.45Å; L364-L607 HydrophobicContact CD2-CD1 4.11Å; L603-L607 HydrophobicContact CD1-CD1 4.49Å; L603-L607 HydrophobicContact CG-CD1 4.13Å; L603-L607 WeakPolarHBondContact O-CB 3.4Å; L603-L607 VanDerWaalsContact O-CG 3.3Å; L603-L607 WeakPolarHBondContact O-CG 3.48Å; L603-L607 PolarHBondContact O-N 3.17Å; M604-L607 HydrophobicContact CE-CD1 3.59Å; M604-L607 PolarHBondContact O-N 3.43Å; Y605-L607 VanDerWaalsContact C-N 3.35Å; Y605-L607 PolarHBondContact O-N 3.17Å; L607-N609 VanDerWaalsContact C-N 3.32Å; L607-N609 PolarHBondContact O-N 2.92Å; L607-V610 PolarHBondContact O-N 3.25Å; L607-F611 WeakPolarHBondContact O-CD2 3.41Å; L607-F611 PolarHBondContact O-N 2.96Å; L607-F611 VanDerWaalsContact O-N 3.07Å
608	V	72.2	Confident	74.3	Confident	75 Å²	75	88.3 Å²	88.3	46%	0.455	42%	0.423	S	S	.	.	H	α-helix	trans	-57.1	-47.6	175.5	171.8	0	0	0	0	110.3	M604 Y605 V610 F611 D612	M604-V608 WeakPolarHBondContact O-CG2 3.44Å; M604-V608 PolarHBondContact O-N 3.28Å; Y605-V608 PolarHBondContact O-N 2.91Å; V608-V610 PolarHBondContact O-N 2.91Å; V608-V610 VanDerWaalsContact O-N 3.16Å; V608-F611 PolarHBondContact O-N 2.86Å; V608-D612 WeakPolarHBondContact CG1-OD2 3.4Å; V608-D612 PolarHBondContact O-N 3.44Å
609	N	67.2	Low	73.4	Confident	59 Å²	59	85.5 Å²	85.5	32%	0.316	42%	0.416	S	S	.	.	H	α-helix	trans	-62.5	-23.5	176.8	-70.4	0.3	0	0	0	114.2	Y605 L607 N613	Y605-N609 WeakPolarHBondContact CE1-ND2 3.39Å; Y605-N609 VanDerWaalsContact CZ-ND2 3.34Å; Y605-N609 PolarHBondContact O-N 2.82Å; Y605-N609 VanDerWaalsContact O-N 3.11Å; Y605-N609 PolarHBondContact O-OD1 2.68Å; Y605-N609 PolarHBondContact OH-ND2 3.25Å; L607-N609 VanDerWaalsContact C-N 3.32Å; L607-N609 PolarHBondContact O-N 2.92Å; N609-N613 PolarHBondContact O-ND2 3.07Å
610	V	64.4	Low	72.4	Confident	69 Å²	69	90.8 Å²	90.8	42%	0.418	44%	0.441	S	S	.	.	H	α-helix	trans	-82.4	-27	175.5	168.9	0	0	0	0	111.5	L327 C606 L607 V608 N613	L327-V610 HydrophobicContact CD1-CG2 4.5Å; C606-V610 VanDerWaalsContact O-CG2 3.27Å; C606-V610 WeakPolarHBondContact O-CG2 3.41Å; C606-V610 PolarHBondContact O-N 3.15Å; L607-V610 PolarHBondContact O-N 3.25Å; V608-V610 PolarHBondContact O-N 2.91Å; V608-V610 VanDerWaalsContact O-N 3.16Å; V610-N613 VanDerWaalsContact O-OXT 3.13Å
611	F	62.3	Low	71.3	Confident	163 Å²	163	95.1 Å²	95.1	72%	0.715	46%	0.458	S	S	*	.	H	α-helix	trans	-87.6	-26	176.1	-75	-68.2	0	0	0	113.6	L607 V608 N613	L607-F611 WeakPolarHBondContact O-CD2 3.41Å; L607-F611 PolarHBondContact O-N 2.96Å; L607-F611 VanDerWaalsContact O-N 3.07Å; V608-F611 PolarHBondContact O-N 2.86Å; F611-N613 VanDerWaalsContact C-N 3.31Å
612	D	64.4	Low	70.1	Confident	127 Å²	127	89.2 Å²	89.2	68%	0.679	44%	0.442	S	S	*	.			trans	-76.5	-18.5	175.6	-73.5	-15.1	0	0	0	112.8	V608	V608-D612 WeakPolarHBondContact CG1-OD2 3.4Å; V608-D612 PolarHBondContact O-N 3.44Å
613	N	47.9	Very low	69.1	Low	189 Å²	189	87.9 Å²	87.9	100%	1.011	45%	0.447	S	S	*	.			trans	-98.2	0	171.9	-70	-49.6	0	0	0	110.5	N609 V610 F611	N609-N613 PolarHBondContact O-ND2 3.07Å; V610-N613 VanDerWaalsContact O-OXT 3.13Å; F611-N613 VanDerWaalsContact C-N 3.31Å

Retrieved 613 of 613 residues in 1074.3 ms (Link to these results)

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