A0A077YZS6_TRITR Loading...

Frizzled 1

AlphaFold DB , UniProt , Accession A0A077YZS6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 692 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	41.2	Very low	242 Å²	242	149.9 Å²	149.9	100%	1.192	82%	0.824	S	S	*	*				0	99.1	0	-75.8	-172.9	-168.4	0	0	109
2	L	37.4	Very low	41.2	Very low	172 Å²	172	156.7 Å²	156.7	90%	0.901	83%	0.828	S	S	*	*			trans	166.8	90.6	153.4	-100.3	145.1	0	0	0	106.5
3	R	34.5	Very low	40.6	Very low	236 Å²	236	157 Å²	157	89%	0.891	83%	0.829	S	S	*	*			trans	-71.5	130.1	163.5	-80.6	-177.4	178	-163.1	-0.5	107.2
4	V	46.6	Very low	40.5	Very low	125 Å²	125	155 Å²	155	76%	0.758	83%	0.826	S	S	*	*			trans	-127.3	110.3	152.9	178	0	0	0	0	106.7	V6	V4-V6 HydrophobicContact CG1-CG2 4.31Å
5	V	38.4	Very low	40.2	Very low	122 Å²	122	154.1 Å²	154.1	74%	0.739	82%	0.821	S	S	*	*			trans	-67.2	130.8	168.2	172.8	0	0	0	0	107.8
6	V	42.7	Very low	39.7	Very low	124 Å²	124	151.3 Å²	151.3	75%	0.752	81%	0.813	S	S	*	*			trans	-138.8	122.3	156.6	-179.8	0	0	0	0	107.9	V4	V4-V6 HydrophobicContact CG1-CG2 4.31Å
7	E	39.1	Very low	39.3	Very low	162 Å²	162	148.8 Å²	148.8	76%	0.757	81%	0.811	S	S	*	*			trans	-20.1	133	174.8	-104	86.8	173.5	0	0	118.4
8	S	37	Very low	38.8	Very low	108 Å²	108	149.9 Å²	149.9	76%	0.755	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-70.4	130.7	155.6	46.9	0	0	0	0	111.6
9	P	53.2	Low	38.4	Very low	115 Å²	115	146.6 Å²	146.6	75%	0.747	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-78.9	153.9	170.4	31	-31.4	0	0	0	112.1
10	P	47.1	Very low	38.3	Very low	116 Å²	116	144.1 Å²	144.1	75%	0.753	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-71.7	166.2	-174.9	31.4	-35	0	0	0	112.8
11	P	42.3	Very low	38.4	Very low	127 Å²	127	142 Å²	142	83%	0.825	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-68.8	144.4	-167.1	28.6	-34.1	0	0	0	112.8	L13	P11-L13 PolarHBondContact O-N 3.32Å
12	R	41.2	Very low	39	Very low	231 Å²	231	133.4 Å²	133.4	87%	0.872	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-60.1	125.7	-178.6	-68	178.1	179.1	-160.5	-0.5	111.9	V14	R12-V14 PolarHBondContact O-N 3.14Å
13	L	33.4	Very low	39.7	Very low	161 Å²	161	127.1 Å²	127.1	84%	0.843	73%	0.727	S	S	*	*			trans	-72.4	106	154.8	-129.7	140.1	0	0	0	107.1	P11 L15	P11-L13 PolarHBondContact O-N 3.32Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3.22Å
14	V	38.7	Very low	40.6	Very low	129 Å²	129	116.9 Å²	116.9	78%	0.782	69%	0.691	S	S	*	*			trans	-73.8	87.7	177.5	-179.1	0	0	0	0	108.1	R12	R12-V14 PolarHBondContact O-N 3.14Å
15	L	35.6	Very low	41.4	Very low	142 Å²	142	114.8 Å²	114.8	74%	0.743	68%	0.675	S	S	*	*			trans	-73.5	142.3	152.7	-94.5	137.3	0	0	0	107.6	L13 S17	L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3.22Å; L15-S17 PolarHBondContact O-N 3.46Å
16	P	33	Very low	42.8	Very low	108 Å²	108	115.1 Å²	115.1	70%	0.701	67%	0.668	S	S	*	*			trans	-57.5	122.2	-175	5.7	-0.7	0	0	0	108.4	L18	P16-L18 PolarHBondContact O-N 3.14Å
17	S	32	Very low	43.7	Very low	110 Å²	110	111.1 Å²	111.1	77%	0.769	64%	0.641	S	S	*	*			trans	-54.9	102.2	170	47.8	0	0	0	0	108.6	L15 S19	L15-S17 PolarHBondContact O-N 3.46Å; S17-S19 PolarHBondContact O-N 3.27Å
18	L	30.8	Very low	44.8	Very low	168 Å²	168	106.3 Å²	106.3	88%	0.88	62%	0.62	S	S	*	*			trans	-55.1	111.8	148.9	-100.3	90.2	0	0	0	104.8	P16 S20	P16-L18 PolarHBondContact O-N 3.14Å; L18-S20 PolarHBondContact O-N 3.46Å
19	S	31.4	Very low	46.4	Very low	87 Å²	87	107.7 Å²	107.7	61%	0.608	61%	0.614	S	S	*	*			trans	-51.7	118.6	-177.1	67.4	0	0	0	0	108.8	S17 S21	S17-S19 PolarHBondContact O-N 3.27Å; S19-S21 PolarHBondContact O-N 3.37Å
20	S	36.7	Very low	47	Very low	96 Å²	96	106.7 Å²	106.7	67%	0.671	60%	0.602	S	S	*	*	S	Bend	trans	-67.6	37.4	174.7	177.2	0	0	0	0	112.3	L18	L18-S20 PolarHBondContact O-N 3.46Å
21	S	39.4	Very low	47.9	Very low	102 Å²	102	101.2 Å²	101.2	71%	0.713	57%	0.566	S	S	*	*			trans	-119.5	40.9	174.1	-155.7	0	0	0	0	109.9	S19 S23	S19-S21 PolarHBondContact O-N 3.37Å; S21-S23 PolarHBondContact O-N 3.37Å
22	S	48.2	Very low	49.4	Very low	60 Å²	60	98.7 Å²	98.7	42%	0.42	55%	0.545	S	S	.	.			trans	-68.6	101.3	165.3	-41.3	0	0	0	0	107
23	S	53.4	Low	51	Low	41 Å²	41	90 Å²	90	29%	0.287	52%	0.52	S	S	.	.			trans	-54.3	147.1	173.7	59.8	0	0	0	0	109	S21 L25 H26	S21-S23 PolarHBondContact O-N 3.37Å; S23-L25 PolarHBondContact O-N 3.01Å; S23-H26 VanDerWaalsContact O-CB 3.3Å; S23-H26 WeakPolarHBondContact O-CB 3.28Å; S23-H26 PolarHBondContact O-N 3.01Å
24	P	53.5	Low	52.7	Low	21 Å²	21	84.2 Å²	84.2	14%	0.136	49%	0.492	C	S	.	.	H	α-helix	trans	-60	-21.1	176	19	-18.6	0	0	0	111.8	H26 F27 L28 F297	P24-H26 VanDerWaalsContact C-N 3.3Å; P24-H26 PolarHBondContact O-N 3.01Å; P24-F27 PolarHBondContact O-N 2.9Å; P24-L28 WeakPolarHBondContact O-CB 3.38Å; P24-L28 PolarHBondContact O-N 2.85Å; P24-F297 HydrophobicContact CG-CE1 3.5Å; P24-F297 VanDerWaalsContact CG-CE1 3.5Å; P24-F297 HydrophobicContact CG-CE2 4.45Å; P24-F297 HydrophobicContact CG-CZ 3.31Å
25	L	63.1	Low	54.3	Low	80 Å²	80	78.5 Å²	78.5	42%	0.419	46%	0.457	S	S	.	.	H	α-helix	trans	-56.8	-39.6	167.8	-73.1	160.4	0	0	0	112.5	S23 F27 L28 H29 L298 M301	S23-L25 PolarHBondContact O-N 3.01Å; L25-F27 VanDerWaalsContact C-N 3.33Å; L25-F27 PolarHBondContact O-N 3.06Å; L25-L28 PolarHBondContact O-N 3.29Å; L25-H29 WeakPolarHBondContact O-CB 3.24Å; L25-H29 PolarHBondContact O-N 2.99Å; L25-L298 HydrophobicContact CD1-CD2 4.39Å; L25-L298 HydrophobicContact CD2-CD2 4.3Å; L25-L298 HydrophobicContact CG-CD2 4.48Å; L25-M301 HydrophobicContact CD1-CE 3.9Å
26	H	66.1	Low	56.3	Low	130 Å²	130	75.2 Å²	75.2	60%	0.602	44%	0.443	S	S	*	.	H	α-helix	trans	-63.7	-40.4	179.2	-129.1	-71.3	0	0	0	111.9	S23 P24 H29 L30	S23-H26 VanDerWaalsContact O-CB 3.3Å; S23-H26 WeakPolarHBondContact O-CB 3.28Å; S23-H26 PolarHBondContact O-N 3.01Å; P24-H26 VanDerWaalsContact C-N 3.3Å; P24-H26 PolarHBondContact O-N 3.01Å; H26-H29 PolarHBondContact O-N 3.12Å; H26-L30 PolarHBondContact O-N 3.36Å
27	F	62.2	Low	58.3	Low	40 Å²	40	74.7 Å²	74.7	18%	0.175	44%	0.437	C	S	.	.	H	α-helix	trans	-75.2	-33.2	176.2	-70.4	-71.2	0	0	0	112.7	P24 L25 H29 L30 A31 H461	P24-F27 PolarHBondContact O-N 2.9Å; L25-F27 VanDerWaalsContact C-N 3.33Å; L25-F27 PolarHBondContact O-N 3.06Å; F27-H29 VanDerWaalsContact C-N 3.34Å; F27-L30 WeakPolarHBondContact O-CB 3.46Å; F27-L30 PolarHBondContact O-N 3.48Å; F27-A31 WeakPolarHBondContact O-CB 3.24Å; F27-A31 PolarHBondContact O-N 3.41Å; F27-H461 HydrophobicContact CD1-CB 3.61Å; F27-H461 AromaticContact CD1-CG 3.84Å; F27-H461 AromaticContact CD1-ND1 3.93Å; F27-H461 HydrophobicContact CD2-CB 4.21Å; F27-H461 AromaticContact CD2-CD2 3.73Å; F27-H461 AromaticContact CD2-CE1 3.57Å; F27-H461 AromaticContact CD2-CG 3.56Å; F27-H461 AromaticContact CD2-ND1 3.46Å; F27-H461 WeakPolarHBondContact CD2-ND1 3.34Å; F27-H461 AromaticContact CD2-NE2 3.76Å; F27-H461 HydrophobicContact CE1-CB 3.49Å; F27-H461 VanDerWaalsContact CE1-CB 3.49Å; F27-H461 AromaticContact CE1-CG 3.94Å; F27-H461 HydrophobicContact CE2-CB 4.1Å; F27-H461 AromaticContact CE2-CD2 3.58Å; F27-H461 AromaticContact CE2-CG 3.66Å; F27-H461 AromaticContact CE2-NE2 3.96Å; F27-H461 HydrophobicContact CG-CB 3.97Å; F27-H461 AromaticContact CG-CE1 3.9Å; F27-H461 AromaticContact CG-CG 3.64Å; F27-H461 AromaticContact CG-ND1 3.37Å; F27-H461 WeakPolarHBondContact CG-ND1 3.45Å; F27-H461 HydrophobicContact CZ-CB 3.75Å; F27-H461 AromaticContact CZ-CG 3.85Å
28	L	63.1	Low	59.8	Low	61 Å²	61	69.7 Å²	69.7	32%	0.319	40%	0.403	S	S	.	.	H	α-helix	trans	-63.7	-41.8	170.5	-176.5	66.1	0	0	0	110.9	P24 L25 L30 A31 L32	P24-L28 WeakPolarHBondContact O-CB 3.38Å; P24-L28 PolarHBondContact O-N 2.85Å; L25-L28 PolarHBondContact O-N 3.29Å; L28-L30 VanDerWaalsContact C-N 3.29Å; L28-L30 PolarHBondContact O-N 3.26Å; L28-A31 PolarHBondContact O-N 3.03Å; L28-L32 HydrophobicContact CG-CD1 4.26Å; L28-L32 WeakPolarHBondContact O-CB 3.21Å; L28-L32 VanDerWaalsContact O-CG 3.32Å; L28-L32 WeakPolarHBondContact O-CG 3.48Å; L28-L32 PolarHBondContact O-N 2.75Å
29	H	70.2	Confident	61.6	Low	137 Å²	137	63.1 Å²	63.1	63%	0.634	37%	0.368	S	S	*	.	H	α-helix	trans	-62.7	-38.7	174	-132	-77.4	0	0	0	111.4	L25 H26 F27 S33	L25-H29 WeakPolarHBondContact O-CB 3.24Å; L25-H29 PolarHBondContact O-N 2.99Å; H26-H29 PolarHBondContact O-N 3.12Å; F27-H29 VanDerWaalsContact C-N 3.34Å; H29-S33 WeakPolarHBondContact O-CB 3.17Å; H29-S33 PolarHBondContact O-N 2.77Å; H29-S33 PolarHBondContact O-OG 2.84Å
30	L	66.4	Low	63.7	Low	94 Å²	94	64 Å²	64	49%	0.492	37%	0.366	S	S	.	.	H	α-helix	trans	-65.5	-45.7	174.7	-162.3	78.3	0	0	0	111.2	H26 F27 L28 L32 S33 V34	H26-L30 PolarHBondContact O-N 3.36Å; F27-L30 WeakPolarHBondContact O-CB 3.46Å; F27-L30 PolarHBondContact O-N 3.48Å; L28-L30 VanDerWaalsContact C-N 3.29Å; L28-L30 PolarHBondContact O-N 3.26Å; L30-L32 PolarHBondContact O-N 3.28Å; L30-S33 WeakPolarHBondContact CA-OG 3.37Å; L30-S33 CarbonylContact O-C 3.04Å; L30-S33 PolarHBondContact O-N 3.43Å; L30-S33 VanDerWaalsContact O-N 3.1Å; L30-S33 PolarHBondContact O-OG 3.04Å; L30-V34 WeakPolarHBondContact O-CG2 3.49Å; L30-V34 PolarHBondContact O-N 3.35Å
31	A	65.8	Low	65.1	Low	0 Å²	0	65 Å²	65	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-60	-46.2	175.6	0	0	0	0	0	111.4	F27 L28 S33 V34 V35 Y424 W465	F27-A31 WeakPolarHBondContact O-CB 3.24Å; F27-A31 PolarHBondContact O-N 3.41Å; L28-A31 PolarHBondContact O-N 3.03Å; A31-S33 VanDerWaalsContact C-N 3.3Å; A31-S33 PolarHBondContact O-N 3.1Å; A31-V34 PolarHBondContact O-N 3Å; A31-V35 WeakPolarHBondContact O-CG2 3.37Å; A31-V35 PolarHBondContact O-N 2.92Å; A31-Y424 HydrophobicContact CB-CE1 4.28Å; A31-W465 HydrophobicContact CB-CD2 3.84Å; A31-W465 HydrophobicContact CB-CE3 3.7Å; A31-W465 HydrophobicContact CB-CG 4.39Å; A31-W465 HydrophobicContact CB-CH2 4.35Å; A31-W465 HydrophobicContact CB-CZ2 4.47Å; A31-W465 HydrophobicContact CB-CZ3 3.97Å
32	L	72.3	Confident	66.1	Low	74 Å²	74	60.9 Å²	60.9	39%	0.387	33%	0.328	S	S	.	.	H	α-helix	trans	-59.8	-39.7	172.8	-73.3	167.7	0	0	0	111.6	L28 L30 V35 V36	L28-L32 HydrophobicContact CG-CD1 4.26Å; L28-L32 WeakPolarHBondContact O-CB 3.21Å; L28-L32 VanDerWaalsContact O-CG 3.32Å; L28-L32 WeakPolarHBondContact O-CG 3.48Å; L28-L32 PolarHBondContact O-N 2.75Å; L30-L32 PolarHBondContact O-N 3.28Å; L32-V35 WeakPolarHBondContact O-CB 3.32Å; L32-V35 PolarHBondContact O-N 3.37Å; L32-V36 VanDerWaalsContact O-CG2 3.26Å; L32-V36 WeakPolarHBondContact O-CG2 3.37Å; L32-V36 PolarHBondContact O-N 3.41Å
33	S	75.2	Confident	66.9	Low	48 Å²	48	63 Å²	63	34%	0.336	33%	0.33	S	S	.	.	H	α-helix	trans	-67.2	-36.6	176.7	74.4	0	0	0	0	112.6	H29 L30 A31 V36 V37	H29-S33 WeakPolarHBondContact O-CB 3.17Å; H29-S33 PolarHBondContact O-N 2.77Å; H29-S33 PolarHBondContact O-OG 2.84Å; L30-S33 WeakPolarHBondContact CA-OG 3.37Å; L30-S33 CarbonylContact O-C 3.04Å; L30-S33 PolarHBondContact O-N 3.43Å; L30-S33 VanDerWaalsContact O-N 3.1Å; L30-S33 PolarHBondContact O-OG 3.04Å; A31-S33 VanDerWaalsContact C-N 3.3Å; A31-S33 PolarHBondContact O-N 3.1Å; S33-V36 CarbonylContact O-C 3.54Å; S33-V36 PolarHBondContact O-N 3.19Å; S33-V37 WeakPolarHBondContact O-CG2 3.25Å; S33-V37 PolarHBondContact O-N 3.43Å
34	V	70.3	Confident	67.4	Low	41 Å²	41	64.7 Å²	64.7	25%	0.248	35%	0.346	C	S	.	.	H	α-helix	trans	-66	-42	174.1	168.6	0	0	0	0	110.3	L30 A31 V37 G38 Y424 A469 M472	L30-V34 WeakPolarHBondContact O-CG2 3.49Å; L30-V34 PolarHBondContact O-N 3.35Å; A31-V34 PolarHBondContact O-N 3Å; V34-V37 PolarHBondContact O-N 2.92Å; V34-G38 PolarHBondContact O-N 2.69Å; V34-Y424 HydrophobicContact CG1-CE2 4.1Å; V34-A469 HydrophobicContact CG1-CB 3.57Å; V34-M472 HydrophobicContact CG1-CE 4.24Å
35	V	71.7	Confident	67.5	Low	8 Å²	8	68.4 Å²	68.4	5%	0.048	37%	0.365	C	S	.	.	H	α-helix	trans	-58.6	-50.1	170.8	172.3	0	0	0	0	109.2	A31 L32 V37 G38 L39 I421 Y424 F425	A31-V35 WeakPolarHBondContact O-CG2 3.37Å; A31-V35 PolarHBondContact O-N 2.92Å; L32-V35 WeakPolarHBondContact O-CB 3.32Å; L32-V35 PolarHBondContact O-N 3.37Å; V35-V37 VanDerWaalsContact C-N 3.32Å; V35-V37 PolarHBondContact O-N 3.38Å; V35-G38 CarbonylContact O-C 3.57Å; V35-G38 WeakPolarHBondContact O-CA 3.33Å; V35-G38 PolarHBondContact O-N 3.1Å; V35-L39 HydrophobicContact CG1-CD1 3.93Å; V35-L39 HydrophobicContact CG1-CG 4.08Å; V35-L39 WeakPolarHBondContact O-CG 3.46Å; V35-L39 PolarHBondContact O-N 3.34Å; V35-I421 HydrophobicContact CG1-CD1 4.43Å; V35-I421 HydrophobicContact CG1-CG1 3.88Å; V35-Y424 HydrophobicContact CG2-CD1 4.12Å; V35-Y424 HydrophobicContact CG2-CE1 4.4Å; V35-Y424 HydrophobicContact CG2-CG 4.35Å; V35-F425 HydrophobicContact CG2-CE2 4.19Å
36	V	77.4	Confident	66.7	Low	74 Å²	74	65.5 Å²	65.5	45%	0.448	35%	0.354	S	S	.	.	H	α-helix	trans	-56.6	-41.7	176.7	171.4	0	0	0	0	112.4	L32 S33 L39 L40	L32-V36 VanDerWaalsContact O-CG2 3.26Å; L32-V36 WeakPolarHBondContact O-CG2 3.37Å; L32-V36 PolarHBondContact O-N 3.41Å; S33-V36 CarbonylContact O-C 3.54Å; S33-V36 PolarHBondContact O-N 3.19Å; V36-L39 WeakPolarHBondContact O-CB 3.24Å; V36-L39 PolarHBondContact O-N 3Å; V36-L40 HydrophobicContact CG1-CD1 4.16Å; V36-L40 HydrophobicContact CG1-CG 4.34Å; V36-L40 WeakPolarHBondContact O-CB 3.29Å; V36-L40 VanDerWaalsContact O-CG 3.26Å; V36-L40 WeakPolarHBondContact O-CG 3.31Å; V36-L40 PolarHBondContact O-N 2.85Å
37	V	74.2	Confident	65.5	Low	97 Å²	97	63 Å²	63	59%	0.588	36%	0.356	S	S	*	.	H	α-helix	trans	-65.1	-42.3	175.2	171.7	0	0	0	0	111.2	S33 V34 V35 L39 L40 Y41	S33-V37 WeakPolarHBondContact O-CG2 3.25Å; S33-V37 PolarHBondContact O-N 3.43Å; V34-V37 PolarHBondContact O-N 2.92Å; V35-V37 VanDerWaalsContact C-N 3.32Å; V35-V37 PolarHBondContact O-N 3.38Å; V37-L39 VanDerWaalsContact C-N 3.32Å; V37-L39 PolarHBondContact O-N 3.46Å; V37-L40 PolarHBondContact O-N 3.47Å; V37-Y41 WeakPolarHBondContact O-CB 3.25Å; V37-Y41 PolarHBondContact O-N 2.96Å
38	G	65.3	Low	64.4	Low	5 Å²	5	65.2 Å²	65.2	5%	0.052	37%	0.37	C	S	.	.	H	α-helix	trans	-61.7	-38.9	172.6	0	0	0	0	0	112.7	V34 V35 Y41 A42	V34-G38 PolarHBondContact O-N 2.69Å; V35-G38 CarbonylContact O-C 3.57Å; V35-G38 WeakPolarHBondContact O-CA 3.33Å; V35-G38 PolarHBondContact O-N 3.1Å; G38-Y41 PolarHBondContact O-N 3.39Å; G38-A42 WeakPolarHBondContact O-CB 3.19Å; G38-A42 PolarHBondContact O-N 3.24Å
39	L	67	Low	63.1	Low	29 Å²	29	66.2 Å²	66.2	15%	0.152	38%	0.38	C	S	.	.	H	α-helix	trans	-63.3	-48.5	173.3	-64.2	172	0	0	0	110.2	V35 V36 V37 Y41 A42 F43 I417 I420	V35-L39 HydrophobicContact CG1-CD1 3.93Å; V35-L39 HydrophobicContact CG1-CG 4.08Å; V35-L39 WeakPolarHBondContact O-CG 3.46Å; V35-L39 PolarHBondContact O-N 3.34Å; V36-L39 WeakPolarHBondContact O-CB 3.24Å; V36-L39 PolarHBondContact O-N 3Å; V37-L39 VanDerWaalsContact C-N 3.32Å; V37-L39 PolarHBondContact O-N 3.46Å; L39-Y41 VanDerWaalsContact C-N 3.29Å; L39-Y41 PolarHBondContact O-N 3.38Å; L39-A42 CarbonylContact O-C 3.43Å; L39-A42 WeakPolarHBondContact O-CA 3.3Å; L39-A42 WeakPolarHBondContact O-CB 3.27Å; L39-A42 PolarHBondContact O-N 2.88Å; L39-A42 VanDerWaalsContact O-N 3.08Å; L39-F43 HydrophobicContact CB-CD2 4.32Å; L39-F43 HydrophobicContact CB-CE2 4.17Å; L39-F43 WeakPolarHBondContact O-CD2 3.07Å; L39-F43 PolarHBondContact O-N 3.46Å; L39-I417 HydrophobicContact CD2-CB 3.78Å; L39-I417 HydrophobicContact CD2-CD1 4.31Å; L39-I417 HydrophobicContact CD2-CG1 3.44Å; L39-I417 VanDerWaalsContact CD2-CG1 3.44Å; L39-I417 HydrophobicContact CD2-CG2 3.56Å; L39-I420 HydrophobicContact CD2-CD1 3.73Å; L39-I420 HydrophobicContact CD2-CG1 4.39Å; L39-I420 HydrophobicContact CG-CD1 4.32Å
40	L	75.7	Confident	61.5	Low	107 Å²	107	62.2 Å²	62.2	56%	0.56	38%	0.376	S	S	*	.	H	α-helix	trans	-60.5	-39.5	177.7	-71.9	173.3	0	0	0	111.6	V36 V37 F43 A44	V36-L40 HydrophobicContact CG1-CD1 4.16Å; V36-L40 HydrophobicContact CG1-CG 4.34Å; V36-L40 WeakPolarHBondContact O-CB 3.29Å; V36-L40 VanDerWaalsContact O-CG 3.26Å; V36-L40 WeakPolarHBondContact O-CG 3.31Å; V36-L40 PolarHBondContact O-N 2.85Å; V37-L40 PolarHBondContact O-N 3.47Å; L40-F43 PolarHBondContact O-N 3.44Å; L40-A44 VanDerWaalsContact O-CB 3.25Å; L40-A44 WeakPolarHBondContact O-CB 3.42Å; L40-A44 PolarHBondContact O-N 2.83Å
41	Y	67.2	Low	60.1	Low	116 Å²	116	59.4 Å²	59.4	46%	0.455	36%	0.364	S	S	.	.	H	α-helix	trans	-64.1	-43.3	172.3	-177.3	-93.2	0	0	0	111.8	V37 G38 L39 F43 A44 N45 L476	V37-Y41 WeakPolarHBondContact O-CB 3.25Å; V37-Y41 PolarHBondContact O-N 2.96Å; G38-Y41 PolarHBondContact O-N 3.39Å; L39-Y41 VanDerWaalsContact C-N 3.29Å; L39-Y41 PolarHBondContact O-N 3.38Å; Y41-F43 VanDerWaalsContact C-N 3.34Å; Y41-F43 PolarHBondContact O-N 3.23Å; Y41-A44 PolarHBondContact O-N 2.91Å; Y41-N45 WeakPolarHBondContact CD1-ND2 3.41Å; Y41-N45 WeakPolarHBondContact CD2-ND2 3.49Å; Y41-N45 WeakPolarHBondContact CE1-ND2 3.37Å; Y41-N45 WeakPolarHBondContact CE2-ND2 3.48Å; Y41-N45 WeakPolarHBondContact O-CB 3.48Å; Y41-N45 PolarHBondContact O-N 3.04Å; Y41-N45 PolarHBondContact O-ND2 2.86Å; Y41-L476 HydrophobicContact CD1-CB 4.31Å; Y41-L476 HydrophobicContact CD1-CD1 4.28Å; Y41-L476 HydrophobicContact CE1-CB 4.24Å
42	A	59.7	Low	58.8	Low	15 Å²	15	60.1 Å²	60.1	12%	0.124	37%	0.368	C	S	.	.	H	α-helix	trans	-64	-37.4	175.4	0	0	0	0	0	112.1	G38 L39 G46 T416 L476	G38-A42 WeakPolarHBondContact O-CB 3.19Å; G38-A42 PolarHBondContact O-N 3.24Å; L39-A42 CarbonylContact O-C 3.43Å; L39-A42 WeakPolarHBondContact O-CA 3.3Å; L39-A42 WeakPolarHBondContact O-CB 3.27Å; L39-A42 PolarHBondContact O-N 2.88Å; L39-A42 VanDerWaalsContact O-N 3.08Å; A42-G46 WeakPolarHBondContact O-CA 3.45Å; A42-G46 PolarHBondContact O-N 2.98Å; A42-T416 HydrophobicContact CB-CG2 3.78Å; A42-L476 HydrophobicContact CB-CD2 4.22Å
43	F	64.9	Low	57.2	Low	106 Å²	106	57.8 Å²	57.8	47%	0.465	36%	0.357	S	S	.	.	H	α-helix	trans	-69.2	-41.9	173.8	-76.2	-66.1	0	0	0	111.9	L39 L40 Y41 N45 G46 I417	L39-F43 HydrophobicContact CB-CD2 4.32Å; L39-F43 HydrophobicContact CB-CE2 4.17Å; L39-F43 WeakPolarHBondContact O-CD2 3.07Å; L39-F43 PolarHBondContact O-N 3.46Å; L40-F43 PolarHBondContact O-N 3.44Å; Y41-F43 VanDerWaalsContact C-N 3.34Å; Y41-F43 PolarHBondContact O-N 3.23Å; F43-N45 VanDerWaalsContact C-N 3.28Å; F43-N45 PolarHBondContact O-N 2.97Å; F43-G46 PolarHBondContact O-N 3.46Å; F43-I417 HydrophobicContact CE1-CD1 4.28Å; F43-I417 HydrophobicContact CE2-CD1 4.11Å; F43-I417 HydrophobicContact CZ-CD1 3.55Å; F43-I417 HydrophobicContact CZ-CG1 4.49Å
44	A	63.8	Low	55.4	Low	76 Å²	76	55.8 Å²	55.8	63%	0.628	34%	0.343	S	S	*	.	H	α-helix	trans	-64.8	-33	179.2	0	0	0	0	0	112.5	L40 Y41	L40-A44 VanDerWaalsContact O-CB 3.25Å; L40-A44 WeakPolarHBondContact O-CB 3.42Å; L40-A44 PolarHBondContact O-N 2.83Å; Y41-A44 PolarHBondContact O-N 2.91Å
45	N	55.1	Low	53.8	Low	98 Å²	98	55.5 Å²	55.5	52%	0.524	34%	0.342	S	S	.	.	H	α-helix	trans	-100.7	-8.5	178.6	-62.3	-61.6	0	0	0	113.9	Y41 F43	Y41-N45 WeakPolarHBondContact CD1-ND2 3.41Å; Y41-N45 WeakPolarHBondContact CD2-ND2 3.49Å; Y41-N45 WeakPolarHBondContact CE1-ND2 3.37Å; Y41-N45 WeakPolarHBondContact CE2-ND2 3.48Å; Y41-N45 WeakPolarHBondContact O-CB 3.48Å; Y41-N45 PolarHBondContact O-N 3.04Å; Y41-N45 PolarHBondContact O-ND2 2.86Å; F43-N45 VanDerWaalsContact C-N 3.28Å; F43-N45 PolarHBondContact O-N 2.97Å
46	G	46.3	Very low	51.9	Low	19 Å²	19	59.2 Å²	59.2	20%	0.196	36%	0.362	C	S	.	.			trans	-109	23.5	-176.8	0	0	0	0	0	113.3	A42 F43 D48	A42-G46 WeakPolarHBondContact O-CA 3.45Å; A42-G46 PolarHBondContact O-N 2.98Å; F43-G46 PolarHBondContact O-N 3.46Å; G46-D48 PolarHBondContact O-N 3.15Å
47	A	41.5	Very low	49.7	Very low	79 Å²	79	58 Å²	58	65%	0.653	36%	0.356	S	S	*	.			trans	-60.6	103.8	168.8	0	0	0	0	0	108.6	P49	A47-P49 WeakPolarHBondContact O-CD 3.31Å
48	D	39.8	Very low	47.8	Very low	85 Å²	85	60.5 Å²	60.5	46%	0.455	36%	0.356	S	S	.	.			trans	-37.5	107.6	168.2	-116.1	-52.6	0	0	0	109.8	G46 R358	G46-D48 PolarHBondContact O-N 3.15Å; D48-R358 VanDerWaalsContact CG-NH1 3.31Å; D48-R358 IonicContact OD1-CZ 2.71Å; D48-R358 IonicContact OD1-NH1 2.99Å; D48-R358 PolarHBondContact OD1-NH1 3.49Å; D48-R358 IonicContact OD1-NH2 3.61Å; D48-R358 PolarHBondContact OD1-NH2 3.4Å; D48-R358 IonicContact OD2-CZ 3.11Å; D48-R358 IonicContact OD2-NH1 3.11Å; D48-R358 PolarHBondContact OD2-NH1 3.03Å; D48-R358 IonicContact OD2-NH2 2.7Å; D48-R358 PolarHBondContact OD2-NH2 3.36Å
49	P	36	Very low	46.1	Very low	83 Å²	83	69.3 Å²	69.3	54%	0.539	40%	0.395	S	S	.	.			trans	-74.6	134.4	148.4	4.8	16	0	0	0	105.7	A47	A47-P49 WeakPolarHBondContact O-CD 3.31Å
50	G	36.5	Very low	44.3	Very low	52 Å²	52	77.4 Å²	77.4	54%	0.536	43%	0.429	S	S	.	.	S	Bend	trans	-48.8	160.7	-180	0	0	0	0	0	114.3
51	S	37.1	Very low	42	Very low	35 Å²	35	75 Å²	75	25%	0.245	43%	0.431	C	S	.	.			trans	44.4	95.5	150.3	-41.5	0	0	0	0	116.7	V53 D81	S51-V53 PolarHBondContact O-N 3.4Å; S51-D81 WeakPolarHBondContact CB-OD1 2.86Å; S51-D81 PolarHBondContact OG-OD1 3.45Å; S51-D81 PolarHBondContact OG-OD2 2.72Å
52	V	38.7	Very low	40.2	Very low	15 Å²	15	71.8 Å²	71.8	9%	0.091	43%	0.433	C	S	.	.			trans	-76	100.1	161.3	176	0	0	0	0	106.6	L238 V243	V52-L238 HydrophobicContact CG1-CD1 4.19Å; V52-L238 HydrophobicContact CG1-CD2 3.98Å; V52-V243 HydrophobicContact CG1-CG2 4.05Å; V52-V243 HydrophobicContact CG2-CG2 4.02Å
53	V	37.8	Very low	39	Very low	25 Å²	25	77.9 Å²	77.9	15%	0.152	47%	0.471	C	S	.	.			trans	-72.1	123.9	174.1	-176.9	0	0	0	0	108.3	S51 S55 T240 V354 L355	S51-V53 PolarHBondContact O-N 3.4Å; V53-S55 WeakPolarHBondContact CG1-OG 3.43Å; V53-T240 HydrophobicContact CB-CG2 4.11Å; V53-T240 VanDerWaalsContact O-CG2 3.25Å; V53-T240 WeakPolarHBondContact O-CG2 3.37Å; V53-V354 WeakPolarHBondContact CG1-O 3.31Å; V53-L355 HydrophobicContact CG2-CD1 3.85Å; V53-L355 HydrophobicContact CG2-CG 4.14Å
54	V	37.2	Very low	37.6	Very low	7 Å²	7	76.4 Å²	76.4	4%	0.042	49%	0.486	C	S	.	.			trans	-97.2	88.6	167.9	-172.6	0	0	0	0	107.4	Q237 L238 L340 F342 V356	V54-Q237 WeakPolarHBondContact CG1-O 3.44Å; V54-L238 HydrophobicContact CG2-CD2 3.53Å; V54-L340 HydrophobicContact CG2-CD1 4.36Å; V54-F342 HydrophobicContact CB-CE1 4.03Å; V54-F342 HydrophobicContact CG1-CD1 4.29Å; V54-F342 HydrophobicContact CG1-CE1 3.52Å; V54-F342 HydrophobicContact CG1-CZ 4.27Å; V54-F342 HydrophobicContact CG2-CE1 4.28Å; V54-F342 HydrophobicContact CG2-CZ 4.29Å; V54-V356 HydrophobicContact CB-CG2 4.08Å; V54-V356 HydrophobicContact CG2-CG2 4.02Å
55	S	35.9	Very low	36.1	Very low	34 Å²	34	77 Å²	77	24%	0.238	49%	0.491	C	S	.	.			trans	-79.7	133.6	167.8	-46.9	0	0	0	0	109	V53 T239	V53-S55 WeakPolarHBondContact CG1-OG 3.43Å; S55-T239 WeakPolarHBondContact CA-OG1 3.5Å; S55-T239 WeakPolarHBondContact CB-OG1 3.44Å; S55-T239 PolarHBondContact N-OG1 3.17Å; S55-T239 WeakPolarHBondContact O-CB 3.47Å; S55-T239 WeakPolarHBondContact O-CG2 3.3Å; S55-T239 PolarHBondContact O-OG1 3.11Å
56	D	32.6	Very low	35.2	Very low	86 Å²	86	77.5 Å²	77.5	46%	0.46	50%	0.499	S	S	.	.			trans	-61.1	127.5	175.3	-154	-9.9	0	0	0	110.1	Y58	D56-Y58 PolarHBondContact O-N 3.31Å
57	P	31.4	Very low	35.2	Very low	49 Å²	49	82.3 Å²	82.3	32%	0.318	53%	0.527	S	S	.	.	S	Bend	trans	-80.9	58.8	175.2	32.7	-30.9	0	0	0	110.3	T239	P57-T239 HydrophobicContact CB-CG2 4.09Å; P57-T239 HydrophobicContact CG-CG2 4.37Å
58	Y	34	Very low	35.7	Very low	149 Å²	149	81.4 Å²	81.4	58%	0.584	51%	0.511	S	S	*	.			trans	-134.5	90.5	156.2	-81.2	-80.6	0	0	0	107.9	D56 F60	D56-Y58 PolarHBondContact O-N 3.31Å; Y58-F60 PolarHBondContact O-N 3.45Å
59	H	29.2	Very low	36.8	Very low	190 Å²	190	83.3 Å²	83.3	88%	0.88	53%	0.531	S	S	*	.			trans	-49.2	95.9	146.5	-114.4	-60.1	0	0	0	107.1	G61	H59-G61 PolarHBondContact O-N 3.44Å
60	F	29.2	Very low	38.5	Very low	199 Å²	199	84.6 Å²	84.6	87%	0.873	53%	0.528	S	S	*	.			trans	-76	55.8	154.5	-130.5	-86.1	0	0	0	107.4	Y58 G62	Y58-F60 PolarHBondContact O-N 3.45Å; F60-G62 PolarHBondContact O-N 3.34Å
61	G	28.1	Very low	40.9	Very low	57 Å²	57	84.2 Å²	84.2	59%	0.588	52%	0.517	S	S	*	.			trans	-70	84.5	156.9	0	0	0	0	0	106.2	H59	H59-G61 PolarHBondContact O-N 3.44Å
62	G	30.3	Very low	43.3	Very low	49 Å²	49	86 Å²	86	51%	0.505	52%	0.521	S	S	.	.			trans	-51.8	136.4	151.8	0	0	0	0	0	107.5	F60 G64	F60-G62 PolarHBondContact O-N 3.34Å; G62-G64 PolarHBondContact O-N 3.38Å
63	P	32.7	Very low	45.8	Very low	143 Å²	143	89.1 Å²	89.1	93%	0.929	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	107.7	-179.9	27.1	-30.7	0	0	0	108.1
64	G	35.6	Very low	48.4	Very low	75 Å²	75	88.9 Å²	88.9	77%	0.773	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	161.5	-5.4	171	0	0	0	0	0	121.7	G62	G62-G64 PolarHBondContact O-N 3.38Å
65	A	32.7	Very low	50.9	Low	89 Å²	89	92.3 Å²	92.3	74%	0.736	56%	0.561	S	S	*	*			trans	-101.5	115.9	-178.6	0	0	0	0	0	112.4
66	P	37.6	Very low	53.6	Low	107 Å²	107	90.8 Å²	90.8	70%	0.695	55%	0.55	S	S	*	*			trans	-70.9	146.9	172.3	29.3	-30.4	0	0	0	110.1	N68	P66-N68 PolarHBondContact O-N 3.36Å
67	P	44.6	Very low	56.3	Low	121 Å²	121	90.7 Å²	90.7	79%	0.786	55%	0.554	S	S	*	*			trans	-65.1	120.7	174.4	26.9	-30.9	0	0	0	108.9	S69	P67-S69 PolarHBondContact O-N 3.14Å
68	N	53.7	Low	59.1	Low	59 Å²	59	88.8 Å²	88.8	32%	0.316	54%	0.541	S	S	.	.			trans	-57.2	114.3	160.7	-91.5	-8.9	0	0	0	106.5	P66 K70 C71 T133 V134	P66-N68 PolarHBondContact O-N 3.36Å; N68-K70 PolarHBondContact O-N 3.44Å; N68-C71 PolarHBondContact O-N 2.84Å; N68-C71 VanDerWaalsContact O-N 3.08Å; N68-T133 PolarHBondContact ND2-O 3.41Å; N68-V134 PolarHBondContact ND2-O 3.05Å; N68-V134 VanDerWaalsContact ND2-O 3.14Å
69	S	61.1	Low	61.8	Low	125 Å²	125	81.7 Å²	81.7	87%	0.874	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	2.2	-176.1	53	0	0	0	0	114.5	P67	P67-S69 PolarHBondContact O-N 3.14Å
70	K	73.4	Confident	64.6	Low	110 Å²	110	76.5 Å²	76.5	48%	0.478	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-8.2	178.3	-61.3	-177.1	-177.9	173.9	0	114.3	N68 I88	N68-K70 PolarHBondContact O-N 3.44Å; K70-I88 HydrophobicContact CB-CG1 4.34Å
71	C	85.8	Confident	66.9	Low	44 Å²	44	70.3 Å²	70.3	30%	0.297	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	129.1	176.8	-62.9	0	0	0	0	110.5	N68 M86 T87 C132	N68-C71 PolarHBondContact O-N 2.84Å; N68-C71 VanDerWaalsContact O-N 3.08Å; C71-M86 HydrophobicContact CB-CE 3.83Å; C71-T87 WeakPolarHBondContact CA-O 3.29Å; C71-C132 WeakPolarHBondContact CA-SG 3.39Å; C71-C132 HydrophobicContact CB-CB 3.84Å; C71-C132 WeakPolarHBondContact CB-SG 3.42Å; C71-C132 WeakPolarHBondContact SG-CB 3.49Å; C71-C132 CovalentContact SG-SG 2.02Å; C71-C132 PolarHBondContact SG-SG 3.31Å
72	E	88.8	Confident	69.6	Low	72 Å²	72	68 Å²	68	34%	0.336	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	151.9	174.8	53.5	174	-147	0	0	111.3	T87 Q98	E72-T87 HydrophobicContact CG-CG2 4.13Å; E72-T87 PolarHBondContact N-O 2.96Å; E72-T87 PolarHBondContact O-N 3.06Å; E72-Q98 VanDerWaalsContact CD-NE2 3.33Å; E72-Q98 VanDerWaalsContact OE1-CG 3.27Å; E72-Q98 WeakPolarHBondContact OE1-CG 3.48Å; E72-Q98 PolarHBondContact OE1-NE2 2.79Å
73	P	90.8	Very high	72	Confident	82 Å²	82	71 Å²	71	53%	0.532	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	146.4	177.9	27.8	-34.6	0	0	0	111.5	T75 M86 Q98	P73-T75 PolarHBondContact O-N 3.36Å; P73-M86 HydrophobicContact CB-SD 4.27Å; P73-Q98 PolarHBondContact O-NE2 3.43Å
74	I	90.9	Very high	74.3	Confident	19 Å²	19	65.2 Å²	65.2	10%	0.097	40%	0.401	C	S	.	.			trans	-69.7	120.2	179.9	-61.1	170.5	0	0	0	111.2	I76 C79 Q80 I82 Y84 N85 T87	I74-I76 HydrophobicContact CG2-CB 4.47Å; I74-C79 HydrophobicContact CG2-CB 4.08Å; I74-Q80 HydrophobicContact CG2-CG 4.44Å; I74-I82 HydrophobicContact CD1-CD1 4.02Å; I74-I82 HydrophobicContact CD1-CG1 4.39Å; I74-Y84 HydrophobicContact CD1-CD2 3.79Å; I74-Y84 HydrophobicContact CD1-CE2 3.7Å; I74-Y84 WeakPolarHBondContact CD1-O 3.28Å; I74-N85 PolarHBondContact N-O 3.06Å; I74-T87 HydrophobicContact CG1-CG2 3.81Å
75	T	91.1	Very high	76.7	Confident	79 Å²	79	65.6 Å²	65.6	49%	0.485	39%	0.385	S	S	.	.			trans	-108.9	-10.7	179	55.9	0	0	0	0	113.2	P73 P77 Q80 Q98	P73-T75 PolarHBondContact O-N 3.36Å; T75-P77 WeakPolarHBondContact O-CD 3.5Å; T75-Q80 PolarHBondContact O-NE2 3.27Å; T75-Q98 PolarHBondContact OG1-OE1 3.48Å
76	I	92.1	Very high	79.4	Confident	3 Å²	3	64.5 Å²	64.5	2%	0.015	37%	0.365	C	S	.	.			trans	-72.5	116.4	180	-61	170.4	0	0	0	110.2	I74 L78 C79 Q80 Q98 A101 V105 A129	I74-I76 HydrophobicContact CG2-CB 4.47Å; I76-L78 HydrophobicContact CG2-CB 4.33Å; I76-L78 PolarHBondContact O-N 3.36Å; I76-L78 VanDerWaalsContact O-N 3.1Å; I76-C79 HydrophobicContact CB-CB 4.29Å; I76-C79 HydrophobicContact CG2-CB 4.33Å; I76-C79 CarbonylContact O-C 3.52Å; I76-C79 PolarHBondContact O-N 3.42Å; I76-Q80 WeakPolarHBondContact O-CG 3.32Å; I76-Q80 PolarHBondContact O-N 2.82Å; I76-Q98 HydrophobicContact CD1-CB 4.1Å; I76-Q98 HydrophobicContact CD1-CG 4.16Å; I76-Q98 WeakPolarHBondContact CD1-O 3.49Å; I76-Q98 HydrophobicContact CG1-CB 3.94Å; I76-Q98 HydrophobicContact CG1-CG 4.31Å; I76-Q98 WeakPolarHBondContact CG1-O 3.38Å; I76-A101 HydrophobicContact CD1-CB 3.99Å; I76-V105 HydrophobicContact CG2-CG1 3.8Å; I76-A129 HydrophobicContact CD1-CB 4.17Å
77	P	89.4	Confident	81.9	Confident	84 Å²	84	59.4 Å²	59.4	55%	0.545	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-31.5	-174.4	-26.9	34.7	0	0	0	115	T75	T75-P77 WeakPolarHBondContact O-CD 3.5Å
78	L	89.4	Confident	84.1	Confident	8 Å²	8	53.8 Å²	53.8	4%	0.042	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-32.3	176.3	-169.9	76.1	0	0	0	113	I76 V105 F109 I112 K121	I76-L78 HydrophobicContact CG2-CB 4.33Å; I76-L78 PolarHBondContact O-N 3.36Å; I76-L78 VanDerWaalsContact O-N 3.1Å; L78-V105 HydrophobicContact CB-CG1 4.27Å; L78-V105 HydrophobicContact CD2-CB 4.13Å; L78-V105 HydrophobicContact CD2-CG1 3.81Å; L78-V105 HydrophobicContact CD2-CG2 3.48Å; L78-V105 VanDerWaalsContact CD2-CG2 3.48Å; L78-V105 WeakPolarHBondContact CD2-O 3.4Å; L78-F109 HydrophobicContact CD1-CD2 3.66Å; L78-F109 HydrophobicContact CD1-CE2 4.32Å; L78-I112 HydrophobicContact CD1-CD1 3.44Å; L78-I112 VanDerWaalsContact CD1-CD1 3.44Å; L78-I112 HydrophobicContact CD2-CD1 3.63Å; L78-I112 HydrophobicContact CG-CD1 3.88Å; L78-K121 WeakPolarHBondContact O-CE 3.38Å
79	C	91.8	Very high	85.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	4.5	-176	-64.4	0	0	0	0	113.7	I74 I76 I82 C125 A129	I74-C79 HydrophobicContact CG2-CB 4.08Å; I76-C79 HydrophobicContact CB-CB 4.29Å; I76-C79 HydrophobicContact CG2-CB 4.33Å; I76-C79 CarbonylContact O-C 3.52Å; I76-C79 PolarHBondContact O-N 3.42Å; C79-I82 HydrophobicContact CB-CD1 4.27Å; C79-I82 WeakPolarHBondContact O-CD1 3.29Å; C79-I82 WeakPolarHBondContact O-CG1 3.46Å; C79-C125 WeakPolarHBondContact CA-SG 3.24Å; C79-C125 HydrophobicContact CB-CB 3.71Å; C79-C125 WeakPolarHBondContact CB-SG 3.26Å; C79-C125 WeakPolarHBondContact SG-CA 3.39Å; C79-C125 WeakPolarHBondContact SG-CB 3.3Å; C79-C125 CovalentContact SG-SG 2.05Å; C79-C125 PolarHBondContact SG-SG 2.83Å; C79-A129 HydrophobicContact CB-CB 4.17Å
80	Q	87.3	Confident	87.4	Confident	82 Å²	82	49.2 Å²	49.2	38%	0.383	26%	0.264	S	S	.	.	S	Bend	trans	-66.8	151.9	157.8	-72.2	169.3	-2.5	0	0	108.8	I74 T75 I76 K121	I74-Q80 HydrophobicContact CG2-CG 4.44Å; T75-Q80 PolarHBondContact O-NE2 3.27Å; I76-Q80 WeakPolarHBondContact O-CG 3.32Å; I76-Q80 PolarHBondContact O-N 2.82Å; Q80-K121 PolarHBondContact O-NZ 2.93Å
81	D	78.8	Confident	88.3	Confident	68 Å²	68	44.1 Å²	44.1	36%	0.364	24%	0.242	S	C	.	.	S	Bend	trans	61.5	47.5	-179.8	-60.1	-29.7	0	0	0	113.8	S51 K121 L355	S51-D81 WeakPolarHBondContact CB-OD1 2.86Å; S51-D81 PolarHBondContact OG-OD1 3.45Å; S51-D81 PolarHBondContact OG-OD2 2.72Å; D81-K121 PolarHBondContact O-NZ 2.91Å; D81-L355 VanDerWaalsContact CA-CD2 3.47Å; D81-L355 HydrophobicContact CB-CD1 4.38Å; D81-L355 HydrophobicContact CB-CD2 3.49Å; D81-L355 VanDerWaalsContact CB-CD2 3.49Å
82	I	83	Confident	88.5	Confident	10 Å²	10	44.4 Å²	44.4	5%	0.051	24%	0.24	C	C	.	.	S	Bend	trans	-115.5	177.1	165	67.9	-174.3	0	0	0	109.3	I74 C79 Y84 K121 C125	I74-I82 HydrophobicContact CD1-CD1 4.02Å; I74-I82 HydrophobicContact CD1-CG1 4.39Å; C79-I82 HydrophobicContact CB-CD1 4.27Å; C79-I82 WeakPolarHBondContact O-CD1 3.29Å; C79-I82 WeakPolarHBondContact O-CG1 3.46Å; I82-Y84 HydrophobicContact CD1-CD1 4.36Å; I82-Y84 HydrophobicContact CD1-CD2 4.2Å; I82-Y84 HydrophobicContact CD1-CE1 3.76Å; I82-Y84 HydrophobicContact CD1-CE2 3.56Å; I82-Y84 WeakPolarHBondContact CD1-OH 3.22Å; I82-Y84 HydrophobicContact CG1-CD1 4.39Å; I82-Y84 HydrophobicContact CG1-CD2 4.48Å; I82-Y84 HydrophobicContact CG1-CE1 4.24Å; I82-Y84 HydrophobicContact CG1-CE2 4.31Å; I82-Y84 WeakPolarHBondContact CG1-O 3.44Å; I82-Y84 PolarHBondContact O-N 2.98Å; I82-K121 HydrophobicContact CG2-CD 4.48Å; I82-C125 HydrophobicContact CD1-CB 3.48Å; I82-C125 VanDerWaalsContact CD1-CB 3.48Å; I82-C125 HydrophobicContact CG2-CB 4.26Å
83	E	81.6	Confident	88.7	Confident	110 Å²	110	42.6 Å²	42.6	51%	0.514	23%	0.233	S	C	.	.	S	Bend	trans	-64.8	-7.7	-171.3	-65.8	76.5	-176	0	0	114.3	F122	E83-F122 HydrophobicContact CB-CE2 4.22Å; E83-F122 HydrophobicContact CG-CE2 4.24Å; E83-F122 WeakPolarHBondContact OE2-CD2 3.39Å; E83-F122 WeakPolarHBondContact OE2-CE2 3.46Å
84	Y	81.7	Confident	88.7	Confident	23 Å²	23	45.2 Å²	45.2	9%	0.09	24%	0.243	C	C	.	.			trans	-142.3	154.4	176.2	57.7	-90.8	0	0	0	110.7	I74 I82 F122 C125 T126 A129 V131	I74-Y84 HydrophobicContact CD1-CD2 3.79Å; I74-Y84 HydrophobicContact CD1-CE2 3.7Å; I74-Y84 WeakPolarHBondContact CD1-O 3.28Å; I82-Y84 HydrophobicContact CD1-CD1 4.36Å; I82-Y84 HydrophobicContact CD1-CD2 4.2Å; I82-Y84 HydrophobicContact CD1-CE1 3.76Å; I82-Y84 HydrophobicContact CD1-CE2 3.56Å; I82-Y84 WeakPolarHBondContact CD1-OH 3.22Å; I82-Y84 HydrophobicContact CG1-CD1 4.39Å; I82-Y84 HydrophobicContact CG1-CD2 4.48Å; I82-Y84 HydrophobicContact CG1-CE1 4.24Å; I82-Y84 HydrophobicContact CG1-CE2 4.31Å; I82-Y84 WeakPolarHBondContact CG1-O 3.44Å; I82-Y84 PolarHBondContact O-N 2.98Å; Y84-F122 HydrophobicContact CE1-CE2 4.03Å; Y84-C125 PolarHBondContact OH-O 3.06Å; Y84-C125 VanDerWaalsContact OH-O 3.13Å; Y84-T126 HydrophobicContact CE1-CG2 4.32Å; Y84-T126 WeakPolarHBondContact OH-CA 3.32Å; Y84-T126 PolarHBondContact OH-N 2.87Å; Y84-A129 WeakPolarHBondContact CE2-O 3.48Å; Y84-A129 PolarHBondContact OH-O 2.84Å; Y84-V131 HydrophobicContact CD1-CB 3.91Å; Y84-V131 HydrophobicContact CD1-CG2 4.27Å; Y84-V131 HydrophobicContact CD2-CB 3.74Å; Y84-V131 HydrophobicContact CD2-CG2 4.05Å; Y84-V131 HydrophobicContact CE1-CB 4.18Å; Y84-V131 HydrophobicContact CE2-CB 4.03Å; Y84-V131 HydrophobicContact CG-CB 3.68Å; Y84-V131 HydrophobicContact CG-CG2 3.76Å
85	N	85.7	Confident	88.8	Confident	82 Å²	82	45.9 Å²	45.9	44%	0.439	25%	0.245	S	C	.	.			trans	-120	-11.5	-171.2	62.9	-6.8	0	0	0	115	I74	I74-N85 PolarHBondContact N-O 3.06Å
86	M	88.6	Confident	88.7	Confident	66 Å²	66	45.5 Å²	45.5	33%	0.325	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.3	176.6	-62.4	-63.1	-68.6	0	0	108.8	C71 P73 C132	C71-M86 HydrophobicContact CB-CE 3.83Å; P73-M86 HydrophobicContact CB-SD 4.27Å; M86-C132 HydrophobicContact CB-CB 3.94Å; M86-C132 PolarHBondContact O-N 3.31Å
87	T	91.4	Very high	88.6	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	159.2	178.8	-170.9	0	0	0	0	111.7	C71 E72 I74 F89 Q98 A129 P130	C71-T87 WeakPolarHBondContact CA-O 3.29Å; E72-T87 HydrophobicContact CG-CG2 4.13Å; E72-T87 PolarHBondContact N-O 2.96Å; E72-T87 PolarHBondContact O-N 3.06Å; I74-T87 HydrophobicContact CG1-CG2 3.81Å; T87-F89 HydrophobicContact CG2-CD2 3.95Å; T87-F89 HydrophobicContact CG2-CE2 3.65Å; T87-Q98 HydrophobicContact CG2-CG 4.09Å; T87-A129 WeakPolarHBondContact OG1-CA 3.26Å; T87-A129 PolarHBondContact OG1-O 3.45Å; T87-P130 WeakPolarHBondContact CA-O 3.39Å; T87-P130 WeakPolarHBondContact CB-O 3.37Å; T87-P130 PolarHBondContact OG1-O 3.4Å
88	I	90.7	Very high	88.8	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.9	177.3	-170.9	168.1	0	0	0	109.5	K70 P130 C132 E136 P138	K70-I88 HydrophobicContact CB-CG1 4.34Å; I88-P130 HydrophobicContact CG2-CG 4.05Å; I88-P130 PolarHBondContact N-O 2.97Å; I88-C132 HydrophobicContact CB-CB 4.31Å; I88-E136 WeakPolarHBondContact CD1-O 3.37Å; I88-P138 HydrophobicContact CG2-CB 3.91Å
89	F	90.6	Very high	88.8	Confident	18 Å²	18	53.6 Å²	53.6	8%	0.079	28%	0.279	C	S	.	.	S	Bend	trans	-121.3	143.6	175	-83.8	-105.4	0	0	0	110.2	T87 N91 H95 K97 Q98 A101 Y128	T87-F89 HydrophobicContact CG2-CD2 3.95Å; T87-F89 HydrophobicContact CG2-CE2 3.65Å; F89-N91 HydrophobicContact CD1-CB 4.47Å; F89-N91 HydrophobicContact CE1-CB 4.13Å; F89-N91 HydrophobicContact CZ-CB 4.28Å; F89-H95 WeakPolarHBondContact CD1-O 3.44Å; F89-H95 HydrophobicContact CE1-CB 4.08Å; F89-K97 VanDerWaalsContact CD1-C 3.48Å; F89-K97 VanDerWaalsContact CE1-O 3.26Å; F89-K97 WeakPolarHBondContact CE1-O 3.37Å; F89-Q98 HydrophobicContact CD2-CG 3.87Å; F89-Q98 HydrophobicContact CE1-CG 4.17Å; F89-Q98 HydrophobicContact CE2-CB 4.35Å; F89-Q98 HydrophobicContact CE2-CG 3.17Å; F89-Q98 HydrophobicContact CZ-CB 4.13Å; F89-Q98 HydrophobicContact CZ-CG 3.35Å; F89-A101 HydrophobicContact CE1-CB 3.98Å; F89-A101 HydrophobicContact CZ-CB 4.05Å; F89-Y128 WeakPolarHBondContact CZ-O 3.36Å
90	P	91.8	Very high	88.8	Confident	70 Å²	70	57.3 Å²	57.3	46%	0.455	30%	0.298	S	S	.	.	S	Bend	cis	-70.3	145	4.5	29.5	-35	0	0	0	113.8	H95	P90-H95 WeakPolarHBondContact CA-O 3.37Å; P90-H95 WeakPolarHBondContact CB-O 3.34Å
91	N	92.4	Very high	89.2	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.016	28%	0.28	C	S	.	.			trans	-75.8	180	179.4	69.7	10.6	0	0	0	112.2	F89 L93 N94 H95 A101 Y128 P130	F89-N91 HydrophobicContact CD1-CB 4.47Å; F89-N91 HydrophobicContact CE1-CB 4.13Å; F89-N91 HydrophobicContact CZ-CB 4.28Å; N91-L93 PolarHBondContact O-N 3.07Å; N91-L93 VanDerWaalsContact O-N 3.07Å; N91-L93 WeakPolarHBondContact OD1-CA 3.49Å; N91-L93 PolarHBondContact OD1-N 2.98Å; N91-N94 PolarHBondContact O-N 3.05Å; N91-N94 PolarHBondContact OD1-N 3.23Å; N91-N94 VanDerWaalsContact OD1-N 3.11Å; N91-H95 PolarHBondContact N-O 3.01Å; N91-H95 PolarHBondContact ND2-ND1 3.29Å; N91-H95 WeakPolarHBondContact OD1-CB 3.47Å; N91-H95 PolarHBondContact OD1-N 3.22Å; N91-H95 PolarHBondContact OD1-ND1 3.31Å; N91-A101 WeakPolarHBondContact ND2-CB 3.26Å; N91-Y128 PolarHBondContact ND2-O 3.16Å; N91-P130 HydrophobicContact CB-CG 4.15Å
92	L	91.7	Very high	89.8	Confident	49 Å²	49	50.5 Å²	50.5	26%	0.257	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-16.9	179.6	-73.4	102	0	0	0	114.1	T126 M127 P130 P138 P140	L92-T126 WeakPolarHBondContact CD1-O 3.41Å; L92-M127 HydrophobicContact CB-CE 4.03Å; L92-M127 HydrophobicContact CB-SD 4.34Å; L92-M127 HydrophobicContact CD2-SD 4.26Å; L92-P130 HydrophobicContact CD1-CB 3.78Å; L92-P130 HydrophobicContact CD1-CG 3.99Å; L92-P138 HydrophobicContact CD1-CB 3.82Å; L92-P138 HydrophobicContact CD1-CG 4.18Å; L92-P138 HydrophobicContact CG-CB 4.21Å; L92-P138 HydrophobicContact CG-CG 4.03Å; L92-P140 HydrophobicContact CD2-CB 3.75Å
93	L	92.5	Very high	90.2	Very high	34 Å²	34	56.3 Å²	56.3	18%	0.178	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	9.8	177.2	-60.8	175.8	0	0	0	112.3	N91 H95 M127 Y128 T167	N91-L93 PolarHBondContact O-N 3.07Å; N91-L93 VanDerWaalsContact O-N 3.07Å; N91-L93 WeakPolarHBondContact OD1-CA 3.49Å; N91-L93 PolarHBondContact OD1-N 2.98Å; L93-H95 VanDerWaalsContact C-N 3.26Å; L93-H95 PolarHBondContact O-N 3.41Å; L93-M127 HydrophobicContact CD2-CE 3.94Å; L93-M127 HydrophobicContact CG-CE 4.29Å; L93-Y128 HydrophobicContact CD1-CD1 3.74Å; L93-Y128 HydrophobicContact CD1-CD2 4.27Å; L93-Y128 HydrophobicContact CD1-CE1 3.33Å; L93-Y128 HydrophobicContact CD1-CE2 3.93Å; L93-Y128 HydrophobicContact CD1-CG 4.2Å; L93-Y128 VanDerWaalsContact CD1-CZ 3.44Å; L93-T167 HydrophobicContact CD2-CG2 4.4Å
94	N	90.3	Very high	90.7	Very high	138 Å²	138	54.1 Å²	54.1	74%	0.738	29%	0.286	S	S	*	.			trans	62	22.4	-179.2	-58.8	-57.4	0	0	0	115.4	N91 A96	N91-N94 PolarHBondContact O-N 3.05Å; N91-N94 PolarHBondContact OD1-N 3.23Å; N91-N94 VanDerWaalsContact OD1-N 3.11Å; N94-A96 PolarHBondContact O-N 3.19Å
95	H	92.7	Very high	91.3	Very high	32 Å²	32	53 Å²	53	15%	0.148	28%	0.282	C	S	.	.			trans	-66.6	130.6	165.5	-63.1	94.3	0	0	0	108.7	F89 P90 N91 L93 D100 A101 E104	F89-H95 WeakPolarHBondContact CD1-O 3.44Å; F89-H95 HydrophobicContact CE1-CB 4.08Å; P90-H95 WeakPolarHBondContact CA-O 3.37Å; P90-H95 WeakPolarHBondContact CB-O 3.34Å; N91-H95 PolarHBondContact N-O 3.01Å; N91-H95 PolarHBondContact ND2-ND1 3.29Å; N91-H95 WeakPolarHBondContact OD1-CB 3.47Å; N91-H95 PolarHBondContact OD1-N 3.22Å; N91-H95 PolarHBondContact OD1-ND1 3.31Å; L93-H95 VanDerWaalsContact C-N 3.26Å; L93-H95 PolarHBondContact O-N 3.41Å; H95-D100 HydrophobicContact CB-CB 4.48Å; H95-A101 HydrophobicContact CB-CB 3.94Å; H95-E104 IonicContact CE1-OE2 3.19Å; H95-E104 PolarHBondContact CE1-OE2 3.4Å; H95-E104 IonicContact NE2-OE2 3.8Å; H95-E104 PolarHBondContact NE2-OE2 3.2Å; H95-E104 VanDerWaalsContact NE2-OE2 3.11Å
96	A	89.3	Confident	91.6	Very high	72 Å²	72	52.5 Å²	52.5	60%	0.595	28%	0.277	S	S	*	.	S	Bend	trans	-82.3	-21	-179.9	0	0	0	0	0	112.9	N94	N94-A96 PolarHBondContact O-N 3.19Å
97	K	89.7	Confident	91.6	Very high	119 Å²	119	56.5 Å²	56.5	52%	0.517	30%	0.295	S	S	.	.	S	Bend	trans	-136.9	152.6	-178.5	-61.4	-179.2	-179.6	-178.1	0	111.7	F89 E99 D100 A101	F89-K97 VanDerWaalsContact CD1-C 3.48Å; F89-K97 VanDerWaalsContact CE1-O 3.26Å; F89-K97 WeakPolarHBondContact CE1-O 3.37Å; K97-E99 VanDerWaalsContact C-N 3.28Å; K97-E99 PolarHBondContact O-N 3.33Å; K97-D100 PolarHBondContact O-N 2.85Å; K97-A101 PolarHBondContact O-N 3.5Å
98	Q	93.6	Very high	91.7	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.028	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-33.9	174.5	-81.8	-174.2	77	0	0	114.3	E72 P73 T75 I76 T87 F89 D100 A101 G102	E72-Q98 VanDerWaalsContact CD-NE2 3.33Å; E72-Q98 VanDerWaalsContact OE1-CG 3.27Å; E72-Q98 WeakPolarHBondContact OE1-CG 3.48Å; E72-Q98 PolarHBondContact OE1-NE2 2.79Å; P73-Q98 PolarHBondContact O-NE2 3.43Å; T75-Q98 PolarHBondContact OG1-OE1 3.48Å; I76-Q98 HydrophobicContact CD1-CB 4.1Å; I76-Q98 HydrophobicContact CD1-CG 4.16Å; I76-Q98 WeakPolarHBondContact CD1-O 3.49Å; I76-Q98 HydrophobicContact CG1-CB 3.94Å; I76-Q98 HydrophobicContact CG1-CG 4.31Å; I76-Q98 WeakPolarHBondContact CG1-O 3.38Å; T87-Q98 HydrophobicContact CG2-CG 4.09Å; F89-Q98 HydrophobicContact CD2-CG 3.87Å; F89-Q98 HydrophobicContact CE1-CG 4.17Å; F89-Q98 HydrophobicContact CE2-CB 4.35Å; F89-Q98 HydrophobicContact CE2-CG 3.17Å; F89-Q98 HydrophobicContact CZ-CB 4.13Å; F89-Q98 HydrophobicContact CZ-CG 3.35Å; Q98-D100 VanDerWaalsContact C-N 3.31Å; Q98-D100 PolarHBondContact O-N 3.28Å; Q98-A101 PolarHBondContact O-N 2.98Å; Q98-G102 PolarHBondContact O-N 2.67Å
99	E	89.5	Confident	91.6	Very high	140 Å²	140	61.3 Å²	61.3	65%	0.654	32%	0.316	S	S	*	.	H	α-helix	trans	-58.3	-44	178.6	-66.2	160.2	-147.1	0	0	111.4	K97 G102 L103	K97-E99 VanDerWaalsContact C-N 3.28Å; K97-E99 PolarHBondContact O-N 3.33Å; E99-G102 PolarHBondContact O-N 3.21Å; E99-L103 WeakPolarHBondContact O-CG 3.18Å; E99-L103 PolarHBondContact O-N 3.42Å
100	D	92.7	Very high	91.4	Very high	77 Å²	77	64.3 Å²	64.3	41%	0.412	34%	0.337	S	S	.	.	H	α-helix	trans	-68.9	-46.6	-179.9	-56.7	-39.8	0	0	0	111	H95 K97 Q98 G102 L103	H95-D100 HydrophobicContact CB-CB 4.48Å; K97-D100 PolarHBondContact O-N 2.85Å; Q98-D100 VanDerWaalsContact C-N 3.31Å; Q98-D100 PolarHBondContact O-N 3.28Å; D100-G102 VanDerWaalsContact C-N 3.26Å; D100-G102 PolarHBondContact O-N 3.41Å; D100-L103 PolarHBondContact O-N 2.95Å
101	A	94	Very high	91.4	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-34.3	176.1	0	0	0	0	0	112.3	I76 F89 N91 H95 K97 Q98 E104 V105 Y128	I76-A101 HydrophobicContact CD1-CB 3.99Å; F89-A101 HydrophobicContact CE1-CB 3.98Å; F89-A101 HydrophobicContact CZ-CB 4.05Å; N91-A101 WeakPolarHBondContact ND2-CB 3.26Å; H95-A101 HydrophobicContact CB-CB 3.94Å; K97-A101 PolarHBondContact O-N 3.5Å; Q98-A101 PolarHBondContact O-N 2.98Å; A101-E104 PolarHBondContact O-N 3.14Å; A101-V105 WeakPolarHBondContact O-CB 3.28Å; A101-V105 WeakPolarHBondContact O-CG1 3.38Å; A101-V105 PolarHBondContact O-N 3.06Å; A101-Y128 HydrophobicContact CB-CD1 4.22Å; A101-Y128 WeakPolarHBondContact CB-O 3.5Å; A101-Y128 WeakPolarHBondContact O-CD1 3.5Å
102	G	92.6	Very high	91.3	Very high	7 Å²	7	63.5 Å²	63.5	7%	0.072	33%	0.328	C	S	.	.	H	α-helix	trans	-61.5	-44.6	177	0	0	0	0	0	112.3	Q98 E99 D100 E104 H106	Q98-G102 PolarHBondContact O-N 2.67Å; E99-G102 PolarHBondContact O-N 3.21Å; D100-G102 VanDerWaalsContact C-N 3.26Å; D100-G102 PolarHBondContact O-N 3.41Å; G102-E104 VanDerWaalsContact C-N 3.34Å; G102-E104 PolarHBondContact O-N 2.89Å; G102-H106 VanDerWaalsContact O-CB 3.32Å; G102-H106 WeakPolarHBondContact O-CB 3.28Å; G102-H106 PolarHBondContact O-CD2 2.94Å; G102-H106 PolarHBondContact O-N 3.49Å
103	L	91.1	Very high	91.1	Very high	132 Å²	132	68.5 Å²	68.5	69%	0.691	35%	0.348	S	S	*	.	H	α-helix	trans	-62.2	-39.4	179.6	-70	171.5	0	0	0	112.6	E99 D100	E99-L103 WeakPolarHBondContact O-CG 3.18Å; E99-L103 PolarHBondContact O-N 3.42Å; D100-L103 PolarHBondContact O-N 2.95Å
104	E	92.9	Very high	90.9	Very high	64 Å²	64	71.8 Å²	71.8	30%	0.299	37%	0.365	S	S	.	.	H	α-helix	trans	-75.3	-46.5	179.2	-168.7	178.5	174.3	0	0	111.5	H95 A101 G102 H106 Q107 Y128	H95-E104 IonicContact CE1-OE2 3.19Å; H95-E104 PolarHBondContact CE1-OE2 3.4Å; H95-E104 IonicContact NE2-OE2 3.8Å; H95-E104 PolarHBondContact NE2-OE2 3.2Å; H95-E104 VanDerWaalsContact NE2-OE2 3.11Å; A101-E104 PolarHBondContact O-N 3.14Å; G102-E104 VanDerWaalsContact C-N 3.34Å; G102-E104 PolarHBondContact O-N 2.89Å; E104-H106 VanDerWaalsContact C-N 3.27Å; E104-H106 PolarHBondContact O-N 2.92Å; E104-Q107 WeakPolarHBondContact O-CB 3.28Å; E104-Q107 WeakPolarHBondContact O-CG 3.39Å; E104-Q107 PolarHBondContact O-N 3.48Å; E104-Q107 VanDerWaalsContact O-N 3.13Å; E104-Y128 HydrophobicContact CB-CE1 3.74Å; E104-Y128 HydrophobicContact CG-CE1 3.74Å; E104-Y128 WeakPolarHBondContact CG-OH 3.48Å; E104-Y128 PolarHBondContact OE1-OH 3.37Å
105	V	93.7	Very high	90.8	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-66.3	-29.9	-178.1	80.6	0	0	0	0	112.7	I76 L78 A101 Q107 F108 L124 Y128	I76-V105 HydrophobicContact CG2-CG1 3.8Å; L78-V105 HydrophobicContact CB-CG1 4.27Å; L78-V105 HydrophobicContact CD2-CB 4.13Å; L78-V105 HydrophobicContact CD2-CG1 3.81Å; L78-V105 HydrophobicContact CD2-CG2 3.48Å; L78-V105 VanDerWaalsContact CD2-CG2 3.48Å; L78-V105 WeakPolarHBondContact CD2-O 3.4Å; A101-V105 WeakPolarHBondContact O-CB 3.28Å; A101-V105 WeakPolarHBondContact O-CG1 3.38Å; A101-V105 PolarHBondContact O-N 3.06Å; V105-Q107 PolarHBondContact O-N 3.08Å; V105-Q107 VanDerWaalsContact O-N 3.08Å; V105-F108 PolarHBondContact O-N 2.96Å; V105-L124 HydrophobicContact CG2-CB 3.94Å; V105-Y128 HydrophobicContact CB-CD1 3.9Å; V105-Y128 HydrophobicContact CB-CD2 3.78Å; V105-Y128 HydrophobicContact CB-CE1 4.26Å; V105-Y128 HydrophobicContact CB-CE2 4.14Å; V105-Y128 HydrophobicContact CB-CG 3.65Å; V105-Y128 HydrophobicContact CG2-CD1 4.44Å; V105-Y128 HydrophobicContact CG2-CD2 3.39Å; V105-Y128 HydrophobicContact CG2-CE2 3.83Å; V105-Y128 HydrophobicContact CG2-CG 3.74Å
106	H	91.1	Very high	90.7	Very high	72 Å²	72	75.1 Å²	75.1	33%	0.333	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-60.6	-18.1	176.4	-97.1	-74.3	0	0	0	113.5	G102 E104 F108 F109	G102-H106 VanDerWaalsContact O-CB 3.32Å; G102-H106 WeakPolarHBondContact O-CB 3.28Å; G102-H106 PolarHBondContact O-CD2 2.94Å; G102-H106 PolarHBondContact O-N 3.49Å; E104-H106 VanDerWaalsContact C-N 3.27Å; E104-H106 PolarHBondContact O-N 2.92Å; H106-F108 PolarHBondContact O-N 3.36Å; H106-F109 WeakPolarHBondContact O-CB 3.39Å; H106-F109 PolarHBondContact O-N 3.08Å
107	Q	90.4	Very high	90.9	Very high	149 Å²	149	72.6 Å²	72.6	70%	0.696	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-66	-22.7	174.2	-59.6	-177.1	15.9	0	0	112.9	E104 V105 F109 P110	E104-Q107 WeakPolarHBondContact O-CB 3.28Å; E104-Q107 WeakPolarHBondContact O-CG 3.39Å; E104-Q107 PolarHBondContact O-N 3.48Å; E104-Q107 VanDerWaalsContact O-N 3.13Å; V105-Q107 PolarHBondContact O-N 3.08Å; V105-Q107 VanDerWaalsContact O-N 3.08Å; Q107-F109 VanDerWaalsContact C-N 3.33Å; Q107-P110 WeakPolarHBondContact O-CD 2.88Å
108	F	91.6	Very high	90.9	Very high	14 Å²	14	71.5 Å²	71.5	6%	0.061	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-85.2	-3.2	176.8	-65.7	-90.5	0	0	0	113.6	V105 H106 P110 L111 I112 L124 Y128 M157 P165 L168	V105-F108 PolarHBondContact O-N 2.96Å; H106-F108 PolarHBondContact O-N 3.36Å; F108-P110 VanDerWaalsContact C-CD 3.43Å; F108-P110 VanDerWaalsContact C-N 3.34Å; F108-L111 HydrophobicContact CD1-CD1 3.84Å; F108-L111 WeakPolarHBondContact O-CB 3.27Å; F108-L111 PolarHBondContact O-N 2.81Å; F108-I112 HydrophobicContact CB-CD1 4.43Å; F108-I112 PolarHBondContact O-N 3.18Å; F108-I112 VanDerWaalsContact O-N 3.13Å; F108-L124 HydrophobicContact CB-CD1 3.42Å; F108-L124 VanDerWaalsContact CB-CD1 3.42Å; F108-L124 HydrophobicContact CD1-CD1 4.01Å; F108-L124 HydrophobicContact CD1-CD2 4.1Å; F108-L124 HydrophobicContact CD2-CD1 4.18Å; F108-L124 HydrophobicContact CD2-CD2 3.93Å; F108-L124 HydrophobicContact CE1-CD2 4.2Å; F108-L124 HydrophobicContact CE2-CD2 4.04Å; F108-L124 HydrophobicContact CG-CD1 3.61Å; F108-L124 HydrophobicContact CG-CD2 3.97Å; F108-L124 HydrophobicContact CG-CG 4.47Å; F108-L124 HydrophobicContact CZ-CD2 4.17Å; F108-Y128 HydrophobicContact CE2-CE2 4.44Å; F108-M157 HydrophobicContact CE1-CE 4.3Å; F108-P165 HydrophobicContact CZ-CG 4.18Å; F108-L168 HydrophobicContact CE1-CD1 4.4Å; F108-L168 HydrophobicContact CZ-CD1 3.9Å
109	F	90.3	Very high	90.9	Very high	91 Å²	91	72 Å²	72	40%	0.399	36%	0.364	S	S	.	.	H	α-helix	trans	-52.8	-40.5	-177.3	-166.8	-89.2	0	0	0	114.1	L78 H106 Q107 L111 I112 K113	L78-F109 HydrophobicContact CD1-CD2 3.66Å; L78-F109 HydrophobicContact CD1-CE2 4.32Å; H106-F109 WeakPolarHBondContact O-CB 3.39Å; H106-F109 PolarHBondContact O-N 3.08Å; Q107-F109 VanDerWaalsContact C-N 3.33Å; F109-L111 PolarHBondContact O-N 3.48Å; F109-I112 PolarHBondContact O-N 2.89Å; F109-K113 HydrophobicContact CD1-CG 3.89Å; F109-K113 HydrophobicContact CE1-CD 4.15Å; F109-K113 VanDerWaalsContact CE1-CE 3.41Å; F109-K113 HydrophobicContact CE1-CG 3.62Å; F109-K113 VanDerWaalsContact CZ-CE 3.49Å; F109-K113 HydrophobicContact CZ-CG 4.27Å; F109-K113 WeakPolarHBondContact O-CG 3.38Å; F109-K113 PolarHBondContact O-N 2.9Å
110	P	86.6	Confident	91.1	Very high	81 Å²	81	65.3 Å²	65.3	53%	0.526	33%	0.333	S	S	.	.	H	α-helix	trans	-62.1	-39.1	175.5	-23.7	35.7	0	0	0	113.9	Q107 F108 K113 I114	Q107-P110 WeakPolarHBondContact O-CD 2.88Å; F108-P110 VanDerWaalsContact C-CD 3.43Å; F108-P110 VanDerWaalsContact C-N 3.34Å; P110-K113 PolarHBondContact O-N 2.81Å; P110-I114 WeakPolarHBondContact O-CG1 3.5Å; P110-I114 PolarHBondContact O-N 3.45Å
111	L	90.3	Very high	91.2	Very high	22 Å²	22	64.7 Å²	64.7	12%	0.115	33%	0.326	C	S	.	.	H	α-helix	trans	-67.6	-39	178.9	-69.2	160.1	0	0	0	111.1	F108 F109 I114 R115 C116 L120 L156 M157	F108-L111 HydrophobicContact CD1-CD1 3.84Å; F108-L111 WeakPolarHBondContact O-CB 3.27Å; F108-L111 PolarHBondContact O-N 2.81Å; F109-L111 PolarHBondContact O-N 3.48Å; L111-I114 PolarHBondContact O-N 3.29Å; L111-R115 PolarHBondContact O-N 3.45Å; L111-R115 VanDerWaalsContact O-N 3.09Å; L111-C116 PolarHBondContact O-SG 3.11Å; L111-L120 HydrophobicContact CB-CD2 3.61Å; L111-L156 HydrophobicContact CD2-CB 4.41Å; L111-L156 HydrophobicContact CD2-CD2 3.89Å; L111-L156 HydrophobicContact CD2-CG 4.24Å; L111-M157 HydrophobicContact CD1-CG 3.61Å; L111-M157 HydrophobicContact CD1-SD 3.76Å; L111-M157 HydrophobicContact CD2-CG 3.82Å; L111-M157 HydrophobicContact CG-CG 4.36Å
112	I	90.9	Very high	91.1	Very high	34 Å²	34	66 Å²	66	17%	0.174	33%	0.332	C	S	.	.	H	α-helix	trans	-66.9	-42.3	176.2	-64.6	168.8	0	0	0	110.8	L78 F108 F109 I114 R115 L120 K121 L124	L78-I112 HydrophobicContact CD1-CD1 3.44Å; L78-I112 VanDerWaalsContact CD1-CD1 3.44Å; L78-I112 HydrophobicContact CD2-CD1 3.63Å; L78-I112 HydrophobicContact CG-CD1 3.88Å; F108-I112 HydrophobicContact CB-CD1 4.43Å; F108-I112 PolarHBondContact O-N 3.18Å; F108-I112 VanDerWaalsContact O-N 3.13Å; F109-I112 PolarHBondContact O-N 2.89Å; I112-I114 VanDerWaalsContact C-N 3.32Å; I112-I114 PolarHBondContact O-N 2.93Å; I112-R115 PolarHBondContact O-N 3.32Å; I112-R115 VanDerWaalsContact O-N 3.13Å; I112-L120 HydrophobicContact CG1-CD2 3.78Å; I112-L120 HydrophobicContact CG1-CG 4.19Å; I112-K121 HydrophobicContact CD1-CB 4.48Å; I112-K121 HydrophobicContact CG2-CB 4.32Å; I112-L124 HydrophobicContact CD1-CD1 3.92Å; I112-L124 HydrophobicContact CG1-CD1 4.42Å
113	K	87.5	Confident	91.3	Very high	154 Å²	154	65.7 Å²	65.7	67%	0.67	33%	0.329	S	S	*	.	H	α-helix	trans	-62.6	-35.8	175	-81.1	-81	-174.6	176.2	0	112.8	F109 P110 R115	F109-K113 HydrophobicContact CD1-CG 3.89Å; F109-K113 HydrophobicContact CE1-CD 4.15Å; F109-K113 VanDerWaalsContact CE1-CE 3.41Å; F109-K113 HydrophobicContact CE1-CG 3.62Å; F109-K113 VanDerWaalsContact CZ-CE 3.49Å; F109-K113 HydrophobicContact CZ-CG 4.27Å; F109-K113 WeakPolarHBondContact O-CG 3.38Å; F109-K113 PolarHBondContact O-N 2.9Å; P110-K113 PolarHBondContact O-N 2.81Å; K113-R115 VanDerWaalsContact C-N 3.31Å
114	I	88.6	Confident	91.5	Very high	104 Å²	104	59.4 Å²	59.4	53%	0.533	30%	0.296	S	S	.	.	H	α-helix	trans	-75.6	-18.1	175.8	-74	172.1	0	0	0	112.4	P110 L111 I112 L156	P110-I114 WeakPolarHBondContact O-CG1 3.5Å; P110-I114 PolarHBondContact O-N 3.45Å; L111-I114 PolarHBondContact O-N 3.29Å; I112-I114 VanDerWaalsContact C-N 3.32Å; I112-I114 PolarHBondContact O-N 2.93Å; I114-L156 HydrophobicContact CB-CD2 4.37Å; I114-L156 HydrophobicContact CD1-CD2 4.09Å; I114-L156 HydrophobicContact CG2-CD2 3.67Å
115	R	87	Confident	91.6	Very high	211 Å²	211	56.4 Å²	56.4	80%	0.796	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	46.1	-177.7	-58.5	-172.8	-177.8	152.2	1	113.5	L111 I112 K113 S117	L111-R115 PolarHBondContact O-N 3.45Å; L111-R115 VanDerWaalsContact O-N 3.09Å; I112-R115 PolarHBondContact O-N 3.32Å; I112-R115 VanDerWaalsContact O-N 3.13Å; K113-R115 VanDerWaalsContact C-N 3.31Å; R115-S117 PolarHBondContact O-N 3.47Å
116	C	91.7	Very high	91.6	Very high	28 Å²	28	56.5 Å²	56.5	19%	0.189	28%	0.282	C	S	.	.	S	Bend	trans	-61.1	-28.3	176	53.1	0	0	0	0	113.1	L111 G152 C153 L156	L111-C116 PolarHBondContact O-SG 3.11Å; C116-G152 WeakPolarHBondContact CB-O 3.41Å; C116-G152 CarbonylContact O-C 3.6Å; C116-G152 WeakPolarHBondContact O-CA 3.33Å; C116-C153 VanDerWaalsContact C-SG 3.53Å; C116-C153 HydrophobicContact CB-CB 3.89Å; C116-C153 WeakPolarHBondContact CB-SG 3.23Å; C116-C153 WeakPolarHBondContact SG-CB 3.27Å; C116-C153 CovalentContact SG-SG 2.02Å; C116-C153 PolarHBondContact SG-SG 3.23Å; C116-L156 HydrophobicContact CB-CD2 4.21Å
117	S	93.5	Very high	91.7	Very high	19 Å²	19	53.2 Å²	53.2	13%	0.133	27%	0.267	C	S	.	.			trans	-142.4	139.6	166.2	-179.5	0	0	0	0	109.4	R115 D119 L120 S148 C153	R115-S117 PolarHBondContact O-N 3.47Å; S117-D119 PolarHBondContact O-N 3.35Å; S117-D119 PolarHBondContact OG-N 3.19Å; S117-L120 PolarHBondContact O-N 2.94Å; S117-S148 PolarHBondContact OG-O 3.47Å; S117-C153 PolarHBondContact N-SG 3.29Å; S117-C153 VanDerWaalsContact N-SG 3.38Å
118	A	90.6	Very high	92	Very high	96 Å²	96	46.2 Å²	46.2	79%	0.793	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.1	173.2	0	0	0	0	0	111.7
119	D	93.1	Very high	92.1	Very high	16 Å²	16	45.5 Å²	45.5	9%	0.086	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-6.9	-173.1	-60.9	-16	0	0	0	112.5	S117 K121 F122 F123 L145 S148 K184	S117-D119 PolarHBondContact O-N 3.35Å; S117-D119 PolarHBondContact OG-N 3.19Å; D119-K121 PolarHBondContact O-N 3.18Å; D119-F122 PolarHBondContact O-N 3.47Å; D119-F123 WeakPolarHBondContact O-CB 3.29Å; D119-F123 PolarHBondContact O-N 2.63Å; D119-L145 HydrophobicContact CB-CD1 3.79Å; D119-S148 WeakPolarHBondContact OD2-CB 3.44Å; D119-S148 PolarHBondContact OD2-OG 3.29Å; D119-K184 IonicContact OD1-NZ 3.82Å; D119-K184 PolarHBondContact OD1-NZ 2.92Å; D119-K184 IonicContact OD2-NZ 2.68Å; D119-K184 PolarHBondContact OD2-NZ 2.9Å
120	L	94.2	Very high	92.3	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-46.7	-174.2	179.9	68.5	0	0	0	112.8	L111 I112 S117 F122 F123 L124 A149 W164	L111-L120 HydrophobicContact CB-CD2 3.61Å; I112-L120 HydrophobicContact CG1-CD2 3.78Å; I112-L120 HydrophobicContact CG1-CG 4.19Å; S117-L120 PolarHBondContact O-N 2.94Å; L120-F122 VanDerWaalsContact C-N 3.35Å; L120-F122 PolarHBondContact O-N 3.3Å; L120-F123 PolarHBondContact O-N 3.24Å; L120-L124 HydrophobicContact CD1-CD1 3.89Å; L120-L124 HydrophobicContact CD1-CG 4.12Å; L120-L124 HydrophobicContact CD2-CD1 4.43Å; L120-L124 HydrophobicContact CG-CD1 3.85Å; L120-L124 HydrophobicContact CG-CG 4.44Å; L120-L124 WeakPolarHBondContact O-CB 3.27Å; L120-L124 VanDerWaalsContact O-CG 3.32Å; L120-L124 WeakPolarHBondContact O-CG 3.46Å; L120-L124 PolarHBondContact O-N 2.97Å; L120-A149 HydrophobicContact CB-CB 4.47Å; L120-A149 HydrophobicContact CD1-CB 4.09Å; L120-W164 HydrophobicContact CD1-CH2 4.1Å; L120-W164 HydrophobicContact CD1-CZ3 4.42Å
121	K	93.2	Very high	92.4	Very high	64 Å²	64	38.9 Å²	38.9	28%	0.278	20%	0.196	S	C	.	.	H	α-helix	trans	-60.1	-48.6	-179.4	-174.4	-166.9	177.8	-162.7	0	110	L78 Q80 D81 I82 I112 D119 L124 C125	L78-K121 WeakPolarHBondContact O-CE 3.38Å; Q80-K121 PolarHBondContact O-NZ 2.93Å; D81-K121 PolarHBondContact O-NZ 2.91Å; I82-K121 HydrophobicContact CG2-CD 4.48Å; I112-K121 HydrophobicContact CD1-CB 4.48Å; I112-K121 HydrophobicContact CG2-CB 4.32Å; D119-K121 PolarHBondContact O-N 3.18Å; K121-L124 PolarHBondContact O-N 2.85Å; K121-C125 PolarHBondContact O-N 3.11Å; K121-C125 VanDerWaalsContact O-N 3.08Å; K121-C125 PolarHBondContact O-SG 3.09Å
122	F	93.5	Very high	92.3	Very high	28 Å²	28	38.7 Å²	38.7	12%	0.123	20%	0.197	C	C	.	.	H	α-helix	trans	-63	-48.6	-179	-174.9	-122.8	0	0	0	111.5	E83 Y84 D119 L120 L124 C125 T126 L145 V180	E83-F122 HydrophobicContact CB-CE2 4.22Å; E83-F122 HydrophobicContact CG-CE2 4.24Å; E83-F122 WeakPolarHBondContact OE2-CD2 3.39Å; E83-F122 WeakPolarHBondContact OE2-CE2 3.46Å; Y84-F122 HydrophobicContact CE1-CE2 4.03Å; D119-F122 PolarHBondContact O-N 3.47Å; L120-F122 VanDerWaalsContact C-N 3.35Å; L120-F122 PolarHBondContact O-N 3.3Å; F122-L124 PolarHBondContact O-N 3.49Å; F122-C125 PolarHBondContact O-N 3.48Å; F122-T126 HydrophobicContact CD2-CG2 4.34Å; F122-T126 HydrophobicContact CE1-CG2 4.24Å; F122-T126 HydrophobicContact CE2-CG2 4.05Å; F122-T126 HydrophobicContact CZ-CG2 4.01Å; F122-T126 WeakPolarHBondContact O-CG2 3.48Å; F122-T126 PolarHBondContact O-N 3.5Å; F122-T126 PolarHBondContact O-OG1 3.01Å; F122-L145 HydrophobicContact CD1-CD1 3.75Å; F122-L145 HydrophobicContact CD1-CD2 3.52Å; F122-L145 HydrophobicContact CD1-CG 4.29Å; F122-L145 HydrophobicContact CE1-CD1 4.43Å; F122-L145 HydrophobicContact CE1-CD2 3.71Å; F122-V180 HydrophobicContact CE1-CG1 4.07Å; F122-V180 HydrophobicContact CZ-CG1 3.59Å
123	F	95.1	Very high	91.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-55.1	-49.4	176.5	171.7	-111.1	0	0	0	112.7	D119 L120 C125 T126 M127 P141 L145 C146 A149 W164 L168 F173	D119-F123 WeakPolarHBondContact O-CB 3.29Å; D119-F123 PolarHBondContact O-N 2.63Å; L120-F123 PolarHBondContact O-N 3.24Å; F123-C125 VanDerWaalsContact C-N 3.33Å; F123-C125 PolarHBondContact O-N 3Å; F123-T126 WeakPolarHBondContact CA-OG1 3.33Å; F123-T126 PolarHBondContact O-N 3.29Å; F123-T126 PolarHBondContact O-OG1 3.47Å; F123-M127 HydrophobicContact CE2-CG 4.15Å; F123-M127 HydrophobicContact CZ-CG 4.21Å; F123-M127 PolarHBondContact O-N 3.36Å; F123-P141 HydrophobicContact CD2-CB 4.02Å; F123-P141 HydrophobicContact CD2-CG 4.07Å; F123-P141 HydrophobicContact CE2-CB 4.17Å; F123-P141 HydrophobicContact CE2-CG 3.74Å; F123-L145 HydrophobicContact CB-CD2 4.38Å; F123-L145 HydrophobicContact CB-CG 4.09Å; F123-L145 HydrophobicContact CD2-CG 4.39Å; F123-C146 HydrophobicContact CD2-CB 4Å; F123-C146 HydrophobicContact CE2-CB 3.46Å; F123-C146 VanDerWaalsContact CE2-CB 3.46Å; F123-C146 HydrophobicContact CZ-CB 3.92Å; F123-C146 WeakPolarHBondContact CZ-SG 3.42Å; F123-A149 HydrophobicContact CB-CB 3.88Å; F123-A149 HydrophobicContact CD1-CB 3.78Å; F123-A149 HydrophobicContact CG-CB 3.94Å; F123-W164 HydrophobicContact CD1-CH2 4.41Å; F123-W164 HydrophobicContact CD1-CZ2 4.28Å; F123-W164 HydrophobicContact CE1-CH2 4.15Å; F123-W164 AromaticContact CE1-CZ2 3.62Å; F123-W164 HydrophobicContact CE1-CZ2 3.62Å; F123-W164 HydrophobicContact CZ-CZ2 4.36Å; F123-L168 HydrophobicContact CE1-CB 4.32Å; F123-L168 HydrophobicContact CE1-CD1 4.29Å; F123-L168 HydrophobicContact CE1-CD2 4.26Å; F123-L168 HydrophobicContact CZ-CB 4.27Å; F123-L168 HydrophobicContact CZ-CD2 4.19Å; F123-F173 HydrophobicContact CE2-CD2 4.38Å; F123-F173 AromaticContact CE2-CE2 3.8Å; F123-F173 HydrophobicContact CE2-CE2 3.8Å; F123-F173 HydrophobicContact CE2-CZ 4.28Å; F123-F173 AromaticContact CZ-CE2 3.91Å; F123-F173 HydrophobicContact CZ-CE2 3.91Å; F123-F173 HydrophobicContact CZ-CZ 4.37Å
124	L	95.4	Very high	91.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.1	-44	179.3	-71.5	168.9	0	0	0	111.1	V105 F108 I112 L120 K121 F122 T126 M127 Y128 L168	V105-L124 HydrophobicContact CG2-CB 3.94Å; F108-L124 HydrophobicContact CB-CD1 3.42Å; F108-L124 VanDerWaalsContact CB-CD1 3.42Å; F108-L124 HydrophobicContact CD1-CD1 4.01Å; F108-L124 HydrophobicContact CD1-CD2 4.1Å; F108-L124 HydrophobicContact CD2-CD1 4.18Å; F108-L124 HydrophobicContact CD2-CD2 3.93Å; F108-L124 HydrophobicContact CE1-CD2 4.2Å; F108-L124 HydrophobicContact CE2-CD2 4.04Å; F108-L124 HydrophobicContact CG-CD1 3.61Å; F108-L124 HydrophobicContact CG-CD2 3.97Å; F108-L124 HydrophobicContact CG-CG 4.47Å; F108-L124 HydrophobicContact CZ-CD2 4.17Å; I112-L124 HydrophobicContact CD1-CD1 3.92Å; I112-L124 HydrophobicContact CG1-CD1 4.42Å; L120-L124 HydrophobicContact CD1-CD1 3.89Å; L120-L124 HydrophobicContact CD1-CG 4.12Å; L120-L124 HydrophobicContact CD2-CD1 4.43Å; L120-L124 HydrophobicContact CG-CD1 3.85Å; L120-L124 HydrophobicContact CG-CG 4.44Å; L120-L124 WeakPolarHBondContact O-CB 3.27Å; L120-L124 VanDerWaalsContact O-CG 3.32Å; L120-L124 WeakPolarHBondContact O-CG 3.46Å; L120-L124 PolarHBondContact O-N 2.97Å; K121-L124 PolarHBondContact O-N 2.85Å; F122-L124 PolarHBondContact O-N 3.49Å; L124-T126 PolarHBondContact O-N 3.31Å; L124-M127 WeakPolarHBondContact O-CB 3.09Å; L124-M127 PolarHBondContact O-N 3.42Å; L124-Y128 HydrophobicContact CB-CD2 4.49Å; L124-Y128 HydrophobicContact CD2-CD2 4.45Å; L124-Y128 HydrophobicContact CD2-CE2 4Å; L124-Y128 VanDerWaalsContact O-CD2 3.28Å; L124-Y128 WeakPolarHBondContact O-CD2 3.42Å; L124-Y128 PolarHBondContact O-N 3.17Å; L124-L168 HydrophobicContact CD2-CD1 4.01Å
125	C	95.2	Very high	90.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68	-34.8	-180	-64.3	0	0	0	0	113.1	C79 I82 Y84 K121 F122 F123 M127 Y128 A129	C79-C125 WeakPolarHBondContact CA-SG 3.24Å; C79-C125 HydrophobicContact CB-CB 3.71Å; C79-C125 WeakPolarHBondContact CB-SG 3.26Å; C79-C125 WeakPolarHBondContact SG-CA 3.39Å; C79-C125 WeakPolarHBondContact SG-CB 3.3Å; C79-C125 CovalentContact SG-SG 2.05Å; C79-C125 PolarHBondContact SG-SG 2.83Å; I82-C125 HydrophobicContact CD1-CB 3.48Å; I82-C125 VanDerWaalsContact CD1-CB 3.48Å; I82-C125 HydrophobicContact CG2-CB 4.26Å; Y84-C125 PolarHBondContact OH-O 3.06Å; Y84-C125 VanDerWaalsContact OH-O 3.13Å; K121-C125 PolarHBondContact O-N 3.11Å; K121-C125 VanDerWaalsContact O-N 3.08Å; K121-C125 PolarHBondContact O-SG 3.09Å; F122-C125 PolarHBondContact O-N 3.48Å; F123-C125 VanDerWaalsContact C-N 3.33Å; F123-C125 PolarHBondContact O-N 3Å; C125-M127 PolarHBondContact O-N 2.86Å; C125-Y128 PolarHBondContact O-N 2.87Å; C125-A129 CarbonylContact O-C 3.56Å; C125-A129 WeakPolarHBondContact O-CA 3.34Å; C125-A129 PolarHBondContact O-N 2.91Å; C125-A129 VanDerWaalsContact O-O 3.1Å
126	T	92.9	Very high	90.3	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-21.4	171.2	56.3	0	0	0	0	113.8	Y84 L92 F122 F123 L124 P141 V180	Y84-T126 HydrophobicContact CE1-CG2 4.32Å; Y84-T126 WeakPolarHBondContact OH-CA 3.32Å; Y84-T126 PolarHBondContact OH-N 2.87Å; L92-T126 WeakPolarHBondContact CD1-O 3.41Å; F122-T126 HydrophobicContact CD2-CG2 4.34Å; F122-T126 HydrophobicContact CE1-CG2 4.24Å; F122-T126 HydrophobicContact CE2-CG2 4.05Å; F122-T126 HydrophobicContact CZ-CG2 4.01Å; F122-T126 WeakPolarHBondContact O-CG2 3.48Å; F122-T126 PolarHBondContact O-N 3.5Å; F122-T126 PolarHBondContact O-OG1 3.01Å; F123-T126 WeakPolarHBondContact CA-OG1 3.33Å; F123-T126 PolarHBondContact O-N 3.29Å; F123-T126 PolarHBondContact O-OG1 3.47Å; L124-T126 PolarHBondContact O-N 3.31Å; T126-P141 WeakPolarHBondContact OG1-CB 3.39Å; T126-V180 HydrophobicContact CG2-CB 4.11Å; T126-V180 HydrophobicContact CG2-CG1 3.65Å
127	M	94.3	Very high	89.8	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.02	22%	0.224	C	C	.	.	H	α-helix	trans	-89.9	-48.7	174.6	-71.9	-63.2	-65	0	0	113	L92 L93 F123 L124 C125 P141 L168 F173	L92-M127 HydrophobicContact CB-CE 4.03Å; L92-M127 HydrophobicContact CB-SD 4.34Å; L92-M127 HydrophobicContact CD2-SD 4.26Å; L93-M127 HydrophobicContact CD2-CE 3.94Å; L93-M127 HydrophobicContact CG-CE 4.29Å; F123-M127 HydrophobicContact CE2-CG 4.15Å; F123-M127 HydrophobicContact CZ-CG 4.21Å; F123-M127 PolarHBondContact O-N 3.36Å; L124-M127 WeakPolarHBondContact O-CB 3.09Å; L124-M127 PolarHBondContact O-N 3.42Å; C125-M127 PolarHBondContact O-N 2.86Å; M127-P141 HydrophobicContact CG-CG 4.12Å; M127-P141 VanDerWaalsContact SD-CD 3.58Å; M127-P141 HydrophobicContact SD-CG 3.66Å; M127-L168 HydrophobicContact CB-CD2 4.28Å; M127-L168 HydrophobicContact CE-CD2 3.97Å; M127-L168 HydrophobicContact CG-CD2 3.94Å; M127-F173 HydrophobicContact CE-CE1 3.95Å; M127-F173 HydrophobicContact CE-CZ 3.75Å; M127-F173 HydrophobicContact CG-CZ 4.48Å; M127-F173 HydrophobicContact SD-CE1 3.49Å; M127-F173 WeakPolarHBondContact SD-CE1 3.43Å; M127-F173 HydrophobicContact SD-CZ 3.46Å; M127-F173 WeakPolarHBondContact SD-CZ 3.48Å
128	Y	95.7	Very high	89.5	Confident	1 Å²	1	40.9 Å²	40.9	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-86.7	-26.1	-172.5	-74.9	-86.7	0	0	0	113.8	F89 N91 L93 A101 E104 V105 F108 L124 C125	F89-Y128 WeakPolarHBondContact CZ-O 3.36Å; N91-Y128 PolarHBondContact ND2-O 3.16Å; L93-Y128 HydrophobicContact CD1-CD1 3.74Å; L93-Y128 HydrophobicContact CD1-CD2 4.27Å; L93-Y128 HydrophobicContact CD1-CE1 3.33Å; L93-Y128 HydrophobicContact CD1-CE2 3.93Å; L93-Y128 HydrophobicContact CD1-CG 4.2Å; L93-Y128 VanDerWaalsContact CD1-CZ 3.44Å; A101-Y128 HydrophobicContact CB-CD1 4.22Å; A101-Y128 WeakPolarHBondContact CB-O 3.5Å; A101-Y128 WeakPolarHBondContact O-CD1 3.5Å; E104-Y128 HydrophobicContact CB-CE1 3.74Å; E104-Y128 HydrophobicContact CG-CE1 3.74Å; E104-Y128 WeakPolarHBondContact CG-OH 3.48Å; E104-Y128 PolarHBondContact OE1-OH 3.37Å; V105-Y128 HydrophobicContact CB-CD1 3.9Å; V105-Y128 HydrophobicContact CB-CD2 3.78Å; V105-Y128 HydrophobicContact CB-CE1 4.26Å; V105-Y128 HydrophobicContact CB-CE2 4.14Å; V105-Y128 HydrophobicContact CB-CG 3.65Å; V105-Y128 HydrophobicContact CG2-CD1 4.44Å; V105-Y128 HydrophobicContact CG2-CD2 3.39Å; V105-Y128 HydrophobicContact CG2-CE2 3.83Å; V105-Y128 HydrophobicContact CG2-CG 3.74Å; F108-Y128 HydrophobicContact CE2-CE2 4.44Å; L124-Y128 HydrophobicContact CB-CD2 4.49Å; L124-Y128 HydrophobicContact CD2-CD2 4.45Å; L124-Y128 HydrophobicContact CD2-CE2 4Å; L124-Y128 VanDerWaalsContact O-CD2 3.28Å; L124-Y128 WeakPolarHBondContact O-CD2 3.42Å; L124-Y128 PolarHBondContact O-N 3.17Å; C125-Y128 PolarHBondContact O-N 2.87Å
129	A	94.9	Very high	89.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-142.4	63.9	-179.9	0	0	0	0	0	109.8	I76 C79 Y84 T87 C125	I76-A129 HydrophobicContact CD1-CB 4.17Å; C79-A129 HydrophobicContact CB-CB 4.17Å; Y84-A129 WeakPolarHBondContact CE2-O 3.48Å; Y84-A129 PolarHBondContact OH-O 2.84Å; T87-A129 WeakPolarHBondContact OG1-CA 3.26Å; T87-A129 PolarHBondContact OG1-O 3.45Å; C125-A129 CarbonylContact O-C 3.56Å; C125-A129 WeakPolarHBondContact O-CA 3.34Å; C125-A129 PolarHBondContact O-N 2.91Å; C125-A129 VanDerWaalsContact O-O 3.1Å
130	P	93.7	Very high	89.4	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.006	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-60.4	152.5	-173.1	26.8	-35.9	0	0	0	112.4	T87 I88 N91 L92 C132 P138	T87-P130 WeakPolarHBondContact CA-O 3.39Å; T87-P130 WeakPolarHBondContact CB-O 3.37Å; T87-P130 PolarHBondContact OG1-O 3.4Å; I88-P130 HydrophobicContact CG2-CG 4.05Å; I88-P130 PolarHBondContact N-O 2.97Å; N91-P130 HydrophobicContact CB-CG 4.15Å; L92-P130 HydrophobicContact CD1-CB 3.78Å; L92-P130 HydrophobicContact CD1-CG 3.99Å; P130-C132 PolarHBondContact O-N 3.08Å; P130-P138 HydrophobicContact CB-CB 3.74Å; P130-P138 HydrophobicContact CG-CB 3.47Å; P130-P138 VanDerWaalsContact CG-CB 3.47Å; P130-P138 HydrophobicContact CG-CG 4.5Å
131	V	89.4	Confident	89.3	Confident	31 Å²	31	38 Å²	38	19%	0.188	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-59.6	131.6	178.6	60.1	0	0	0	0	111.7	Y84 T133 V180	Y84-V131 HydrophobicContact CD1-CB 3.91Å; Y84-V131 HydrophobicContact CD1-CG2 4.27Å; Y84-V131 HydrophobicContact CD2-CB 3.74Å; Y84-V131 HydrophobicContact CD2-CG2 4.05Å; Y84-V131 HydrophobicContact CE1-CB 4.18Å; Y84-V131 HydrophobicContact CE2-CB 4.03Å; Y84-V131 HydrophobicContact CG-CB 3.68Å; Y84-V131 HydrophobicContact CG-CG2 3.76Å; V131-T133 HydrophobicContact CG1-CG2 4.2Å; V131-T133 HydrophobicContact CG2-CG2 4.37Å; V131-T133 PolarHBondContact O-N 3.48Å; V131-V180 HydrophobicContact CG1-CG2 4.04Å
132	C	88.2	Confident	89.3	Confident	19 Å²	19	35.4 Å²	35.4	13%	0.128	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-76.3	124.8	171.9	-151.2	0	0	0	0	110.5	C71 M86 I88 P130	C71-C132 WeakPolarHBondContact CA-SG 3.39Å; C71-C132 HydrophobicContact CB-CB 3.84Å; C71-C132 WeakPolarHBondContact CB-SG 3.42Å; C71-C132 WeakPolarHBondContact SG-CB 3.49Å; C71-C132 CovalentContact SG-SG 2.02Å; C71-C132 PolarHBondContact SG-SG 3.31Å; M86-C132 HydrophobicContact CB-CB 3.94Å; M86-C132 PolarHBondContact O-N 3.31Å; I88-C132 HydrophobicContact CB-CB 4.31Å; P130-C132 PolarHBondContact O-N 3.08Å
133	T	82.8	Confident	89.4	Confident	48 Å²	48	37.2 Å²	37.2	29%	0.294	20%	0.197	S	C	.	.			trans	-125.1	-173.8	173	69.9	0	0	0	0	110	N68 V131 L135 I139	N68-T133 PolarHBondContact ND2-O 3.41Å; V131-T133 HydrophobicContact CG1-CG2 4.2Å; V131-T133 HydrophobicContact CG2-CG2 4.37Å; V131-T133 PolarHBondContact O-N 3.48Å; T133-L135 PolarHBondContact O-N 3.33Å; T133-L135 WeakPolarHBondContact OG1-CB 3.45Å; T133-L135 PolarHBondContact OG1-N 3.1Å; T133-I139 HydrophobicContact CG2-CD1 3.63Å
134	V	76.6	Confident	89.3	Confident	130 Å²	130	41 Å²	41	79%	0.788	21%	0.214	S	C	*	.	S	Bend	trans	-67	-13.8	172.2	-64.8	0	0	0	0	112.9	N68	N68-V134 PolarHBondContact ND2-O 3.05Å; N68-V134 VanDerWaalsContact ND2-O 3.14Å
135	L	77.4	Confident	89.2	Confident	84 Å²	84	41.2 Å²	41.2	44%	0.44	22%	0.215	S	C	.	.	S	Bend	trans	-73.9	141.3	178.7	-141.8	70.1	0	0	0	111	T133 E137 I139 L178	T133-L135 PolarHBondContact O-N 3.33Å; T133-L135 WeakPolarHBondContact OG1-CB 3.45Å; T133-L135 PolarHBondContact OG1-N 3.1Å; L135-E137 VanDerWaalsContact C-N 3.3Å; L135-I139 HydrophobicContact CD2-CG1 4.46Å; L135-L178 HydrophobicContact CD2-CD2 4.39Å
136	E	75.5	Confident	89.2	Confident	153 Å²	153	41.2 Å²	41.2	72%	0.715	22%	0.215	S	C	*	.	S	Bend	trans	-74.2	-23.1	177.7	-67	-169.7	169.9	0	0	113.1	I88	I88-E136 WeakPolarHBondContact CD1-O 3.37Å
137	E	80.5	Confident	89.3	Confident	149 Å²	149	44.4 Å²	44.4	70%	0.696	23%	0.232	S	C	*	.	S	Bend	trans	-105.1	142.9	179.4	-65.7	-175.3	168.7	0	0	111	L135	L135-E137 VanDerWaalsContact C-N 3.3Å
138	P	86.5	Confident	89.3	Confident	32 Å²	32	46.1 Å²	46.1	21%	0.208	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-67.4	136.8	178.8	26.8	-33.7	0	0	0	112.2	I88 L92 P130	I88-P138 HydrophobicContact CG2-CB 3.91Å; L92-P138 HydrophobicContact CD1-CB 3.82Å; L92-P138 HydrophobicContact CD1-CG 4.18Å; L92-P138 HydrophobicContact CG-CB 4.21Å; L92-P138 HydrophobicContact CG-CG 4.03Å; P130-P138 HydrophobicContact CB-CB 3.74Å; P130-P138 HydrophobicContact CG-CB 3.47Å; P130-P138 VanDerWaalsContact CG-CB 3.47Å; P130-P138 HydrophobicContact CG-CG 4.5Å
139	I	89.5	Confident	89.2	Confident	16 Å²	16	46.1 Å²	46.1	8%	0.082	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-76.4	128.5	178.9	-56.2	173.9	0	0	0	109.7	T133 L135 L178 V180	T133-I139 HydrophobicContact CG2-CD1 3.63Å; L135-I139 HydrophobicContact CD2-CG1 4.46Å; I139-L178 HydrophobicContact CD1-CD1 4.44Å; I139-L178 HydrophobicContact CD1-CD2 3.91Å; I139-L178 HydrophobicContact CD1-CG 4.19Å; I139-L178 HydrophobicContact CG1-CD2 4.14Å; I139-L178 HydrophobicContact CG1-CG 4.49Å; I139-L178 HydrophobicContact CG2-CD2 4.49Å; I139-L178 HydrophobicContact CG2-CG 3.99Å; I139-V180 HydrophobicContact CB-CG2 4.12Å; I139-V180 HydrophobicContact CG2-CG2 3.79Å
140	P	91.9	Very high	89.2	Confident	37 Å²	37	48.3 Å²	48.3	24%	0.24	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-73.4	156.9	179.1	30.4	-35.4	0	0	0	112.8	L92 F173 P174 C179 V180	L92-P140 HydrophobicContact CD2-CB 3.75Å; P140-F173 HydrophobicContact CB-CD1 4.25Å; P140-P174 HydrophobicContact CG-CG 4.22Å; P140-C179 CarbonylContact O-C 3.49Å; P140-C179 VanDerWaalsContact O-CA 3.23Å; P140-C179 WeakPolarHBondContact O-CA 3.49Å; P140-C179 WeakPolarHBondContact O-CB 3.38Å; P140-V180 PolarHBondContact O-N 3.03Å
141	P	93	Very high	89.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-64.9	152.8	168.5	26.4	-32	0	0	0	111.2	F123 T126 M127 L145 F173 V180	F123-P141 HydrophobicContact CD2-CB 4.02Å; F123-P141 HydrophobicContact CD2-CG 4.07Å; F123-P141 HydrophobicContact CE2-CB 4.17Å; F123-P141 HydrophobicContact CE2-CG 3.74Å; T126-P141 WeakPolarHBondContact OG1-CB 3.39Å; M127-P141 HydrophobicContact CG-CG 4.12Å; M127-P141 VanDerWaalsContact SD-CD 3.58Å; M127-P141 HydrophobicContact SD-CG 3.66Å; P141-L145 HydrophobicContact CB-CD2 4.1Å; P141-F173 HydrophobicContact CG-CD1 3.83Å; P141-F173 HydrophobicContact CG-CD2 4.28Å; P141-F173 HydrophobicContact CG-CE1 3.77Å; P141-F173 HydrophobicContact CG-CE2 4.25Å; P141-F173 HydrophobicContact CG-CG 4.1Å; P141-F173 HydrophobicContact CG-CZ 4.01Å; P141-F173 WeakPolarHBondContact O-CB 3.46Å; P141-V180 CarbonylContact C-O 3.54Å; P141-V180 WeakPolarHBondContact CA-O 3.43Å
142	C	94	Very high	89.3	Confident	9 Å²	9	54 Å²	54	6%	0.061	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-71.7	149.6	171.5	-58.7	0	0	0	0	111.3	H144 L145 C146 C179 V180	C142-H144 VanDerWaalsContact C-N 3.31Å; C142-H144 WeakPolarHBondContact CB-CE1 3.3Å; C142-H144 WeakPolarHBondContact CB-ND1 3.16Å; C142-H144 PolarHBondContact O-N 3.42Å; C142-L145 WeakPolarHBondContact O-CB 3.22Å; C142-L145 PolarHBondContact O-N 2.95Å; C142-L145 VanDerWaalsContact O-N 3.12Å; C142-C146 PolarHBondContact O-N 2.84Å; C142-C179 WeakPolarHBondContact CA-SG 3.2Å; C142-C179 HydrophobicContact CB-CB 3.87Å; C142-C179 WeakPolarHBondContact CB-SG 3.4Å; C142-C179 WeakPolarHBondContact SG-CB 3.44Å; C142-C179 PolarHBondContact SG-O 2.73Å; C142-C179 CovalentContact SG-SG 2.03Å; C142-C179 PolarHBondContact SG-SG 3.32Å; C142-V180 PolarHBondContact N-O 2.8Å; C142-V180 VanDerWaalsContact SG-C 3.54Å
143	R	93.7	Very high	89.5	Confident	66 Å²	66	53 Å²	53	25%	0.249	28%	0.284	C	S	.	.	H	α-helix	trans	-57.9	-39.5	-177.3	-174	178.5	-70	-170.5	-11.3	113.3	L145 C146 L147 C170 E171 F173 P174 E175	R143-L145 VanDerWaalsContact C-N 3.3Å; R143-L145 PolarHBondContact O-N 3.41Å; R143-C146 WeakPolarHBondContact O-CB 3.13Å; R143-C146 PolarHBondContact O-N 2.77Å; R143-L147 HydrophobicContact CG-CD1 3.97Å; R143-L147 HydrophobicContact CG-CG 4.23Å; R143-L147 WeakPolarHBondContact O-CG 3.33Å; R143-L147 PolarHBondContact O-N 2.57Å; R143-C170 PolarHBondContact NE-O 2.9Å; R143-E171 PolarHBondContact NH2-O 2.92Å; R143-F173 HydrophobicContact CB-CB 4.33Å; R143-F173 PolarHBondContact NE-O 3.03Å; R143-F173 PolarHBondContact NH2-O 2.98Å; R143-P174 WeakPolarHBondContact CB-O 3.39Å; R143-P174 PolarHBondContact N-O 3.32Å; R143-E175 HydrophobicContact CB-CG 3.94Å; R143-E175 VanDerWaalsContact CD-OE1 3.26Å; R143-E175 WeakPolarHBondContact CD-OE1 3.36Å; R143-E175 HydrophobicContact CG-CG 4.28Å; R143-E175 IonicContact CZ-OE1 2.72Å; R143-E175 IonicContact NE-OE1 3.2Å; R143-E175 IonicContact NH1-OE1 3.69Å; R143-E175 PolarHBondContact NH1-OE1 3.07Å
144	H	93.1	Very high	90	Very high	79 Å²	79	53.3 Å²	53.3	37%	0.366	28%	0.282	S	S	.	.	H	α-helix	trans	-64.5	-33.8	179.8	65.9	-67.7	0	0	0	112.7	C142 L147 S148 E182	C142-H144 VanDerWaalsContact C-N 3.31Å; C142-H144 WeakPolarHBondContact CB-CE1 3.3Å; C142-H144 WeakPolarHBondContact CB-ND1 3.16Å; C142-H144 PolarHBondContact O-N 3.42Å; H144-L147 PolarHBondContact O-N 3.17Å; H144-S148 WeakPolarHBondContact O-CB 3.41Å; H144-S148 PolarHBondContact O-N 2.92Å; H144-E182 PolarHBondContact CD2-O 3.46Å; H144-E182 PolarHBondContact NE2-O 3.28Å
145	L	93.5	Very high	90.7	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-64.6	-45.4	174.8	-179.8	66.1	0	0	0	110.8	D119 F122 F123 P141 C142 R143 S148 A149 V180	D119-L145 HydrophobicContact CB-CD1 3.79Å; F122-L145 HydrophobicContact CD1-CD1 3.75Å; F122-L145 HydrophobicContact CD1-CD2 3.52Å; F122-L145 HydrophobicContact CD1-CG 4.29Å; F122-L145 HydrophobicContact CE1-CD1 4.43Å; F122-L145 HydrophobicContact CE1-CD2 3.71Å; F123-L145 HydrophobicContact CB-CD2 4.38Å; F123-L145 HydrophobicContact CB-CG 4.09Å; F123-L145 HydrophobicContact CD2-CG 4.39Å; P141-L145 HydrophobicContact CB-CD2 4.1Å; C142-L145 WeakPolarHBondContact O-CB 3.22Å; C142-L145 PolarHBondContact O-N 2.95Å; C142-L145 VanDerWaalsContact O-N 3.12Å; R143-L145 VanDerWaalsContact C-N 3.3Å; R143-L145 PolarHBondContact O-N 3.41Å; L145-S148 PolarHBondContact O-N 2.65Å; L145-A149 PolarHBondContact O-N 2.85Å; L145-A149 VanDerWaalsContact O-N 3.12Å; L145-V180 WeakPolarHBondContact CD2-O 3.34Å
146	C	95.8	Very high	91.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-47.6	174.4	-177.2	0	0	0	0	112	F123 C142 R143 S148 A149 K150 L168 C170 F173	F123-C146 HydrophobicContact CD2-CB 4Å; F123-C146 HydrophobicContact CE2-CB 3.46Å; F123-C146 VanDerWaalsContact CE2-CB 3.46Å; F123-C146 HydrophobicContact CZ-CB 3.92Å; F123-C146 WeakPolarHBondContact CZ-SG 3.42Å; C142-C146 PolarHBondContact O-N 2.84Å; R143-C146 WeakPolarHBondContact O-CB 3.13Å; R143-C146 PolarHBondContact O-N 2.77Å; C146-S148 VanDerWaalsContact C-N 3.31Å; C146-S148 PolarHBondContact O-N 3.38Å; C146-A149 PolarHBondContact O-N 3.26Å; C146-K150 VanDerWaalsContact O-CB 3.31Å; C146-K150 WeakPolarHBondContact O-CB 3.44Å; C146-K150 PolarHBondContact O-N 3.46Å; C146-L168 PolarHBondContact SG-O 2.7Å; C146-C170 HydrophobicContact CB-CB 3.73Å; C146-C170 WeakPolarHBondContact CB-SG 2.99Å; C146-C170 PolarHBondContact O-SG 3.36Å; C146-C170 WeakPolarHBondContact SG-CA 3.43Å; C146-C170 WeakPolarHBondContact SG-CB 3.44Å; C146-C170 CovalentContact SG-SG 2.04Å; C146-C170 PolarHBondContact SG-SG 3.07Å; C146-F173 HydrophobicContact CB-CD2 3.68Å; C146-F173 HydrophobicContact CB-CE2 4Å
147	L	95	Very high	92	Very high	69 Å²	69	45.8 Å²	45.8	36%	0.361	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-38.7	-179.5	-71.8	172.5	0	0	0	111.8	R143 H144 K150 N151 C170	R143-L147 HydrophobicContact CG-CD1 3.97Å; R143-L147 HydrophobicContact CG-CG 4.23Å; R143-L147 WeakPolarHBondContact O-CG 3.33Å; R143-L147 PolarHBondContact O-N 2.57Å; H144-L147 PolarHBondContact O-N 3.17Å; L147-K150 PolarHBondContact O-N 3.08Å; L147-N151 WeakPolarHBondContact O-CB 3.36Å; L147-N151 PolarHBondContact O-N 3.2Å; L147-N151 PolarHBondContact O-ND2 3.46Å; L147-C170 HydrophobicContact CD2-CB 3.9Å; L147-C170 HydrophobicContact CG-CB 4.17Å
148	S	93.6	Very high	92.5	Very high	41 Å²	41	42.4 Å²	42.4	29%	0.287	23%	0.226	S	C	.	.	H	α-helix	trans	-64.4	-43.4	175.3	-176	0	0	0	0	112.6	S117 D119 H144 L145 C146 G152	S117-S148 PolarHBondContact OG-O 3.47Å; D119-S148 WeakPolarHBondContact OD2-CB 3.44Å; D119-S148 PolarHBondContact OD2-OG 3.29Å; H144-S148 WeakPolarHBondContact O-CB 3.41Å; H144-S148 PolarHBondContact O-N 2.92Å; L145-S148 PolarHBondContact O-N 2.65Å; C146-S148 VanDerWaalsContact C-N 3.31Å; C146-S148 PolarHBondContact O-N 3.38Å; S148-G152 PolarHBondContact O-N 3.35Å
149	A	94.3	Very high	92.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-46	175.3	0	0	0	0	0	111.7	L120 F123 L145 C146 C153 W164	L120-A149 HydrophobicContact CB-CB 4.47Å; L120-A149 HydrophobicContact CD1-CB 4.09Å; F123-A149 HydrophobicContact CB-CB 3.88Å; F123-A149 HydrophobicContact CD1-CB 3.78Å; F123-A149 HydrophobicContact CG-CB 3.94Å; L145-A149 PolarHBondContact O-N 2.85Å; L145-A149 VanDerWaalsContact O-N 3.12Å; C146-A149 PolarHBondContact O-N 3.26Å; A149-C153 WeakPolarHBondContact O-CB 3.2Å; A149-C153 PolarHBondContact O-N 2.98Å; A149-C153 PolarHBondContact O-SG 2.94Å; A149-W164 HydrophobicContact CB-CH2 4.17Å
150	K	95.2	Very high	92.4	Very high	47 Å²	47	56.2 Å²	56.2	20%	0.204	28%	0.277	C	S	.	.	H	α-helix	trans	-62.7	-53	179	-176.2	177.2	177	-179.5	0	111.7	C146 L147 G152 C153 E154 W164	C146-K150 VanDerWaalsContact O-CB 3.31Å; C146-K150 WeakPolarHBondContact O-CB 3.44Å; C146-K150 PolarHBondContact O-N 3.46Å; L147-K150 PolarHBondContact O-N 3.08Å; K150-G152 VanDerWaalsContact C-N 3.26Å; K150-G152 PolarHBondContact O-N 3.03Å; K150-C153 PolarHBondContact O-N 3.25Å; K150-C153 VanDerWaalsContact O-N 3.09Å; K150-E154 WeakPolarHBondContact CE-OE1 3.42Å; K150-E154 WeakPolarHBondContact CE-OE2 3.33Å; K150-E154 HydrophobicContact CG-CB 4.11Å; K150-E154 IonicContact NZ-OE1 2.96Å; K150-E154 WeakPolarHBondContact O-CB 3.42Å; K150-E154 PolarHBondContact O-N 3.39Å; K150-W164 HydrophobicContact CB-CD2 4.17Å; K150-W164 HydrophobicContact CB-CE3 4.38Å; K150-W164 HydrophobicContact CB-CH2 4.13Å; K150-W164 HydrophobicContact CB-CZ2 3.88Å; K150-W164 HydrophobicContact CB-CZ3 4.38Å; K150-W164 HydrophobicContact CD-CD2 4.34Å; K150-W164 HydrophobicContact CD-CG 4.15Å; K150-W164 HydrophobicContact CG-CD2 3.83Å; K150-W164 HydrophobicContact CG-CE3 4.2Å; K150-W164 HydrophobicContact CG-CG 4.07Å; K150-W164 HydrophobicContact CG-CZ2 4.44Å
151	N	94.1	Very high	92	Very high	118 Å²	118	57.7 Å²	57.7	63%	0.631	30%	0.299	S	S	*	.	H	α-helix	trans	-61.3	-33.7	-176.4	-71.2	-14.9	0	0	0	112.9	L147	L147-N151 WeakPolarHBondContact O-CB 3.36Å; L147-N151 PolarHBondContact O-N 3.2Å; L147-N151 PolarHBondContact O-ND2 3.46Å
152	G	90.5	Very high	91.9	Very high	32 Å²	32	64.1 Å²	64.1	33%	0.33	33%	0.327	S	S	.	.	H	α-helix	trans	-73.9	-32.9	176.5	0	0	0	0	0	113.8	C116 S148 K150	C116-G152 WeakPolarHBondContact CB-O 3.41Å; C116-G152 CarbonylContact O-C 3.6Å; C116-G152 WeakPolarHBondContact O-CA 3.33Å; S148-G152 PolarHBondContact O-N 3.35Å; K150-G152 VanDerWaalsContact C-N 3.26Å; K150-G152 PolarHBondContact O-N 3.03Å
153	C	93.7	Very high	91.7	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-114.8	-22.6	-164.7	-60.6	0	0	0	0	115.4	C116 S117 A149 K150 M155 L156 M157 W164	C116-C153 VanDerWaalsContact C-SG 3.53Å; C116-C153 HydrophobicContact CB-CB 3.89Å; C116-C153 WeakPolarHBondContact CB-SG 3.23Å; C116-C153 WeakPolarHBondContact SG-CB 3.27Å; C116-C153 CovalentContact SG-SG 2.02Å; C116-C153 PolarHBondContact SG-SG 3.23Å; S117-C153 PolarHBondContact N-SG 3.29Å; S117-C153 VanDerWaalsContact N-SG 3.38Å; A149-C153 WeakPolarHBondContact O-CB 3.2Å; A149-C153 PolarHBondContact O-N 2.98Å; A149-C153 PolarHBondContact O-SG 2.94Å; K150-C153 PolarHBondContact O-N 3.25Å; K150-C153 VanDerWaalsContact O-N 3.09Å; C153-M155 PolarHBondContact O-N 2.97Å; C153-L156 WeakPolarHBondContact O-CB 3.38Å; C153-L156 PolarHBondContact O-N 3.29Å; C153-L156 VanDerWaalsContact O-N 3.1Å; C153-M157 WeakPolarHBondContact O-CG 3.06Å; C153-M157 PolarHBondContact O-N 3.36Å; C153-W164 HydrophobicContact CB-CZ3 4.34Å
154	E	93.4	Very high	91.7	Very high	54 Å²	54	69.2 Å²	69.2	25%	0.252	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-42.4	-175	178.1	173.7	-135.1	0	0	112.4	K150 L156 M157 N158 W164	K150-E154 WeakPolarHBondContact CE-OE1 3.42Å; K150-E154 WeakPolarHBondContact CE-OE2 3.33Å; K150-E154 HydrophobicContact CG-CB 4.11Å; K150-E154 IonicContact NZ-OE1 2.96Å; K150-E154 WeakPolarHBondContact O-CB 3.42Å; K150-E154 PolarHBondContact O-N 3.39Å; E154-L156 VanDerWaalsContact C-N 3.25Å; E154-L156 PolarHBondContact O-N 2.91Å; E154-M157 PolarHBondContact O-N 3.5Å; E154-N158 WeakPolarHBondContact O-CB 3.41Å; E154-N158 VanDerWaalsContact O-CG 3.25Å; E154-N158 PolarHBondContact O-N 3.08Å; E154-N158 PolarHBondContact O-ND2 2.81Å; E154-W164 HydrophobicContact CG-CB 4.41Å
155	M	90.2	Very high	91.6	Very high	154 Å²	154	67.2 Å²	67.2	76%	0.759	35%	0.346	S	S	*	.	H	α-helix	trans	-60.2	-38.5	177.3	-171.5	-167.4	-62.5	0	0	111.8	C153 R159	C153-M155 PolarHBondContact O-N 2.97Å; M155-R159 PolarHBondContact O-N 3.31Å; M155-R159 VanDerWaalsContact O-N 3.13Å
156	L	88.9	Confident	91.5	Very high	39 Å²	39	73.3 Å²	73.3	20%	0.204	38%	0.379	C	S	.	.	H	α-helix	trans	-71.7	-42.7	179	-171.3	64	0	0	0	111	L111 I114 C116 C153 E154 N158 R159 F160	L111-L156 HydrophobicContact CD2-CB 4.41Å; L111-L156 HydrophobicContact CD2-CD2 3.89Å; L111-L156 HydrophobicContact CD2-CG 4.24Å; I114-L156 HydrophobicContact CB-CD2 4.37Å; I114-L156 HydrophobicContact CD1-CD2 4.09Å; I114-L156 HydrophobicContact CG2-CD2 3.67Å; C116-L156 HydrophobicContact CB-CD2 4.21Å; C153-L156 WeakPolarHBondContact O-CB 3.38Å; C153-L156 PolarHBondContact O-N 3.29Å; C153-L156 VanDerWaalsContact O-N 3.1Å; E154-L156 VanDerWaalsContact C-N 3.25Å; E154-L156 PolarHBondContact O-N 2.91Å; L156-N158 PolarHBondContact O-N 3.04Å; L156-R159 PolarHBondContact O-N 3.3Å; L156-F160 HydrophobicContact CD1-CD2 4.26Å; L156-F160 HydrophobicContact CD1-CE2 3.71Å; L156-F160 HydrophobicContact CG-CD2 4.3Å; L156-F160 HydrophobicContact CG-CE2 4.11Å; L156-F160 VanDerWaalsContact O-CD2 3.26Å; L156-F160 WeakPolarHBondContact O-CD2 3.1Å; L156-F160 PolarHBondContact O-N 2.81Å
157	M	91.4	Very high	91.3	Very high	15 Å²	15	76.6 Å²	76.6	7%	0.074	40%	0.399	C	S	.	.	H	α-helix	trans	-57.8	-48.7	174.4	-71.9	-175	66.4	0	0	111.2	F108 L111 C153 E154 R159 F160 G161 F162 W164	F108-M157 HydrophobicContact CE1-CE 4.3Å; L111-M157 HydrophobicContact CD1-CG 3.61Å; L111-M157 HydrophobicContact CD1-SD 3.76Å; L111-M157 HydrophobicContact CD2-CG 3.82Å; L111-M157 HydrophobicContact CG-CG 4.36Å; C153-M157 WeakPolarHBondContact O-CG 3.06Å; C153-M157 PolarHBondContact O-N 3.36Å; E154-M157 PolarHBondContact O-N 3.5Å; M157-R159 VanDerWaalsContact C-N 3.26Å; M157-R159 PolarHBondContact O-N 3.24Å; M157-F160 CarbonylContact O-C 3.53Å; M157-F160 PolarHBondContact O-N 3.33Å; M157-G161 PolarHBondContact O-N 2.92Å; M157-F162 CarbonylContact C-O 3.58Å; M157-F162 HydrophobicContact CB-CB 4.31Å; M157-F162 WeakPolarHBondContact CB-O 3.31Å; M157-F162 HydrophobicContact CE-CB 4.11Å; M157-F162 PolarHBondContact O-N 3.21Å; M157-W164 HydrophobicContact SD-CE3 3.71Å; M157-W164 HydrophobicContact SD-CZ3 4.06Å
158	N	91.3	Very high	91.2	Very high	79 Å²	79	73.3 Å²	73.3	42%	0.422	38%	0.381	S	S	.	.	H	α-helix	trans	-61.3	-36.1	-179.8	-71.4	-23.2	0	0	0	111.7	E154 L156 F160 G161 F162	E154-N158 WeakPolarHBondContact O-CB 3.41Å; E154-N158 VanDerWaalsContact O-CG 3.25Å; E154-N158 PolarHBondContact O-N 3.08Å; E154-N158 PolarHBondContact O-ND2 2.81Å; L156-N158 PolarHBondContact O-N 3.04Å; N158-F160 VanDerWaalsContact C-N 3.26Å; N158-F160 PolarHBondContact O-N 3.09Å; N158-G161 PolarHBondContact O-N 3.37Å; N158-G161 VanDerWaalsContact O-N 3.1Å; N158-F162 WeakPolarHBondContact CA-O 3.27Å; N158-F162 PolarHBondContact N-O 2.84Å; N158-F162 VanDerWaalsContact N-O 3.08Å; N158-F162 PolarHBondContact OD1-O 3.4Å; N158-F162 VanDerWaalsContact OD1-O 3.11Å
159	R	87.6	Confident	91.2	Very high	203 Å²	203	73.5 Å²	73.5	77%	0.766	38%	0.379	S	S	*	.	H	α-helix	trans	-64.2	-28.9	175.8	179.3	175.5	-86.8	-179.4	-4.7	112.9	M155 L156 M157	M155-R159 PolarHBondContact O-N 3.31Å; M155-R159 VanDerWaalsContact O-N 3.13Å; L156-R159 PolarHBondContact O-N 3.3Å; M157-R159 VanDerWaalsContact C-N 3.26Å; M157-R159 PolarHBondContact O-N 3.24Å
160	F	85.4	Confident	91.2	Very high	135 Å²	135	73.7 Å²	73.7	59%	0.592	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	8.5	175	-70.6	-72	0	0	0	113.5	L156 M157 N158 F162	L156-F160 HydrophobicContact CD1-CD2 4.26Å; L156-F160 HydrophobicContact CD1-CE2 3.71Å; L156-F160 HydrophobicContact CG-CD2 4.3Å; L156-F160 HydrophobicContact CG-CE2 4.11Å; L156-F160 VanDerWaalsContact O-CD2 3.26Å; L156-F160 WeakPolarHBondContact O-CD2 3.1Å; L156-F160 PolarHBondContact O-N 2.81Å; M157-F160 CarbonylContact O-C 3.53Å; M157-F160 PolarHBondContact O-N 3.33Å; N158-F160 VanDerWaalsContact C-N 3.26Å; N158-F160 PolarHBondContact O-N 3.09Å; F160-F162 HydrophobicContact CB-CD2 3.94Å; F160-F162 HydrophobicContact CB-CE2 4.2Å; F160-F162 WeakPolarHBondContact O-CD2 3.37Å; F160-F162 WeakPolarHBondContact O-CE2 3.4Å
161	G	85.2	Confident	91.1	Very high	67 Å²	67	78.2 Å²	78.2	69%	0.691	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	13.7	177.1	0	0	0	0	0	114.9	M157 N158	M157-G161 PolarHBondContact O-N 2.92Å; N158-G161 PolarHBondContact O-N 3.37Å; N158-G161 VanDerWaalsContact O-N 3.1Å
162	F	89.3	Confident	91	Very high	135 Å²	135	79 Å²	79	59%	0.592	40%	0.401	S	S	*	.			trans	-108.5	130.9	177.2	-59.4	-77.9	0	0	0	110.3	M157 N158 F160	M157-F162 CarbonylContact C-O 3.58Å; M157-F162 HydrophobicContact CB-CB 4.31Å; M157-F162 WeakPolarHBondContact CB-O 3.31Å; M157-F162 HydrophobicContact CE-CB 4.11Å; M157-F162 PolarHBondContact O-N 3.21Å; N158-F162 WeakPolarHBondContact CA-O 3.27Å; N158-F162 PolarHBondContact N-O 2.84Å; N158-F162 VanDerWaalsContact N-O 3.08Å; N158-F162 PolarHBondContact OD1-O 3.4Å; N158-F162 VanDerWaalsContact OD1-O 3.11Å; F160-F162 HydrophobicContact CB-CD2 3.94Å; F160-F162 HydrophobicContact CB-CE2 4.2Å; F160-F162 WeakPolarHBondContact O-CD2 3.37Å; F160-F162 WeakPolarHBondContact O-CE2 3.4Å
163	Q	91.1	Very high	91.1	Very high	164 Å²	164	78.1 Å²	78.1	77%	0.766	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-90.9	155.8	172.5	-64.6	-176	3.7	0	0	110.3	P165	Q163-P165 WeakPolarHBondContact O-CD 3.47Å
164	W	92.5	Very high	90.9	Very high	18 Å²	18	80 Å²	80	7%	0.068	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-61.5	122	173.9	-170.6	-92.9	0	0	0	109.7	L120 F123 A149 K150 C153 E154 M157 L168	L120-W164 HydrophobicContact CD1-CH2 4.1Å; L120-W164 HydrophobicContact CD1-CZ3 4.42Å; F123-W164 HydrophobicContact CD1-CH2 4.41Å; F123-W164 HydrophobicContact CD1-CZ2 4.28Å; F123-W164 HydrophobicContact CE1-CH2 4.15Å; F123-W164 AromaticContact CE1-CZ2 3.62Å; F123-W164 HydrophobicContact CE1-CZ2 3.62Å; F123-W164 HydrophobicContact CZ-CZ2 4.36Å; A149-W164 HydrophobicContact CB-CH2 4.17Å; K150-W164 HydrophobicContact CB-CD2 4.17Å; K150-W164 HydrophobicContact CB-CE3 4.38Å; K150-W164 HydrophobicContact CB-CH2 4.13Å; K150-W164 HydrophobicContact CB-CZ2 3.88Å; K150-W164 HydrophobicContact CB-CZ3 4.38Å; K150-W164 HydrophobicContact CD-CD2 4.34Å; K150-W164 HydrophobicContact CD-CG 4.15Å; K150-W164 HydrophobicContact CG-CD2 3.83Å; K150-W164 HydrophobicContact CG-CE3 4.2Å; K150-W164 HydrophobicContact CG-CG 4.07Å; K150-W164 HydrophobicContact CG-CZ2 4.44Å; C153-W164 HydrophobicContact CB-CZ3 4.34Å; E154-W164 HydrophobicContact CG-CB 4.41Å; M157-W164 HydrophobicContact SD-CE3 3.71Å; M157-W164 HydrophobicContact SD-CZ3 4.06Å; W164-L168 HydrophobicContact CZ2-CB 4.35Å; W164-L168 PolarHBondContact NE1-O 3.1Å
165	P	91.7	Very high	90.5	Very high	38 Å²	38	83.9 Å²	83.9	25%	0.247	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-62.2	141.5	-170.6	-24.2	33.1	0	0	0	113.8	F108 Q163 T167 L168 N169	F108-P165 HydrophobicContact CZ-CG 4.18Å; Q163-P165 WeakPolarHBondContact O-CD 3.47Å; P165-T167 PolarHBondContact O-N 3.48Å; P165-L168 HydrophobicContact CB-CG 4.47Å; P165-L168 HydrophobicContact CG-CD1 4.31Å; P165-L168 CarbonylContact O-C 3.51Å; P165-L168 WeakPolarHBondContact O-CA 3.36Å; P165-L168 PolarHBondContact O-N 3.07Å; P165-N169 PolarHBondContact O-N 3.09Å
166	D	91.5	Very high	89.8	Confident	132 Å²	132	85.2 Å²	85.2	71%	0.706	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-61.8	-28.1	178.5	-68.3	-39.7	0	0	0	113.1	L168 N169 K172	D166-L168 PolarHBondContact O-N 2.98Å; D166-N169 WeakPolarHBondContact O-CB 3.37Å; D166-N169 PolarHBondContact O-N 2.89Å; D166-K172 PolarHBondContact O-NZ 2.71Å
167	T	90.6	Very high	89.2	Confident	68 Å²	68	86.4 Å²	86.4	42%	0.417	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-64.2	-24.7	173.7	50	0	0	0	0	112.5	L93 P165	L93-T167 HydrophobicContact CD2-CG2 4.4Å; P165-T167 PolarHBondContact O-N 3.48Å
168	L	93	Very high	88.8	Confident	0 Å²	0	91.5 Å²	91.5	0%	0	47%	0.471	C	S	.	.	G	3₁₀ helix	trans	-106.2	17.7	178.6	-56.8	179.9	0	0	0	112.4	F108 F123 L124 M127 C146 W164 P165 D166 C170	F108-L168 HydrophobicContact CE1-CD1 4.4Å; F108-L168 HydrophobicContact CZ-CD1 3.9Å; F123-L168 HydrophobicContact CE1-CB 4.32Å; F123-L168 HydrophobicContact CE1-CD1 4.29Å; F123-L168 HydrophobicContact CE1-CD2 4.26Å; F123-L168 HydrophobicContact CZ-CB 4.27Å; F123-L168 HydrophobicContact CZ-CD2 4.19Å; L124-L168 HydrophobicContact CD2-CD1 4.01Å; M127-L168 HydrophobicContact CB-CD2 4.28Å; M127-L168 HydrophobicContact CE-CD2 3.97Å; M127-L168 HydrophobicContact CG-CD2 3.94Å; C146-L168 PolarHBondContact SG-O 2.7Å; W164-L168 HydrophobicContact CZ2-CB 4.35Å; W164-L168 PolarHBondContact NE1-O 3.1Å; P165-L168 HydrophobicContact CB-CG 4.47Å; P165-L168 HydrophobicContact CG-CD1 4.31Å; P165-L168 CarbonylContact O-C 3.51Å; P165-L168 WeakPolarHBondContact O-CA 3.36Å; P165-L168 PolarHBondContact O-N 3.07Å; D166-L168 PolarHBondContact O-N 2.98Å; L168-C170 PolarHBondContact O-N 3.34Å; L168-C170 VanDerWaalsContact O-N 3.15Å
169	N	94.1	Very high	88.6	Confident	45 Å²	45	89.1 Å²	89.1	24%	0.241	46%	0.46	C	S	.	.			trans	-61.9	117.4	177.6	-177.9	-1.1	0	0	0	110.7	P165 D166 E171 K172	P165-N169 PolarHBondContact O-N 3.09Å; D166-N169 WeakPolarHBondContact O-CB 3.37Å; D166-N169 PolarHBondContact O-N 2.89Å; N169-E171 PolarHBondContact O-N 2.86Å; N169-E171 VanDerWaalsContact O-N 3.09Å; N169-E171 PolarHBondContact OD1-N 3.38Å; N169-K172 HydrophobicContact CB-CD 4.46Å; N169-K172 WeakPolarHBondContact O-CB 3.3Å; N169-K172 PolarHBondContact O-N 2.98Å
170	C	94.7	Very high	88.6	Confident	5 Å²	5	80.7 Å²	80.7	3%	0.034	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-61	-21.7	-174	-56.2	0	0	0	0	114.6	R143 C146 L147 L168 K172 F173	R143-C170 PolarHBondContact NE-O 2.9Å; C146-C170 HydrophobicContact CB-CB 3.73Å; C146-C170 WeakPolarHBondContact CB-SG 2.99Å; C146-C170 PolarHBondContact O-SG 3.36Å; C146-C170 WeakPolarHBondContact SG-CA 3.43Å; C146-C170 WeakPolarHBondContact SG-CB 3.44Å; C146-C170 CovalentContact SG-SG 2.04Å; C146-C170 PolarHBondContact SG-SG 3.07Å; L147-C170 HydrophobicContact CD2-CB 3.9Å; L147-C170 HydrophobicContact CG-CB 4.17Å; L168-C170 PolarHBondContact O-N 3.34Å; L168-C170 VanDerWaalsContact O-N 3.15Å; C170-K172 PolarHBondContact O-N 2.84Å; C170-F173 PolarHBondContact O-N 3.34Å
171	E	93.2	Very high	88.2	Confident	142 Å²	142	75.8 Å²	75.8	66%	0.664	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-62.7	-23.2	176.1	-68.2	179	174.1	0	0	112.9	R143 N169 F173	R143-E171 PolarHBondContact NH2-O 2.92Å; N169-E171 PolarHBondContact O-N 2.86Å; N169-E171 VanDerWaalsContact O-N 3.09Å; N169-E171 PolarHBondContact OD1-N 3.38Å; E171-F173 VanDerWaalsContact C-N 3.25Å; E171-F173 PolarHBondContact O-N 3.43Å
172	K	91.7	Very high	87.3	Confident	135 Å²	135	77.4 Å²	77.4	59%	0.587	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-74.2	-13.3	178.5	-64.1	175.9	176.8	172.8	0	113.6	D166 N169 C170	D166-K172 PolarHBondContact O-NZ 2.71Å; N169-K172 HydrophobicContact CB-CD 4.46Å; N169-K172 WeakPolarHBondContact O-CB 3.3Å; N169-K172 PolarHBondContact O-N 2.98Å; C170-K172 PolarHBondContact O-N 2.84Å
173	F	92.6	Very high	85.6	Confident	12 Å²	12	77.9 Å²	77.9	5%	0.053	42%	0.417	C	S	.	.	S	Bend	trans	-100.4	145.2	-175.5	-56.3	-51.6	0	0	0	112.1	F123 M127 P140 P141 R143 C146 C170 E171	F123-F173 HydrophobicContact CE2-CD2 4.38Å; F123-F173 AromaticContact CE2-CE2 3.8Å; F123-F173 HydrophobicContact CE2-CE2 3.8Å; F123-F173 HydrophobicContact CE2-CZ 4.28Å; F123-F173 AromaticContact CZ-CE2 3.91Å; F123-F173 HydrophobicContact CZ-CE2 3.91Å; F123-F173 HydrophobicContact CZ-CZ 4.37Å; M127-F173 HydrophobicContact CE-CE1 3.95Å; M127-F173 HydrophobicContact CE-CZ 3.75Å; M127-F173 HydrophobicContact CG-CZ 4.48Å; M127-F173 HydrophobicContact SD-CE1 3.49Å; M127-F173 WeakPolarHBondContact SD-CE1 3.43Å; M127-F173 HydrophobicContact SD-CZ 3.46Å; M127-F173 WeakPolarHBondContact SD-CZ 3.48Å; P140-F173 HydrophobicContact CB-CD1 4.25Å; P141-F173 HydrophobicContact CG-CD1 3.83Å; P141-F173 HydrophobicContact CG-CD2 4.28Å; P141-F173 HydrophobicContact CG-CE1 3.77Å; P141-F173 HydrophobicContact CG-CE2 4.25Å; P141-F173 HydrophobicContact CG-CG 4.1Å; P141-F173 HydrophobicContact CG-CZ 4.01Å; P141-F173 WeakPolarHBondContact O-CB 3.46Å; R143-F173 HydrophobicContact CB-CB 4.33Å; R143-F173 PolarHBondContact NE-O 3.03Å; R143-F173 PolarHBondContact NH2-O 2.98Å; C146-F173 HydrophobicContact CB-CD2 3.68Å; C146-F173 HydrophobicContact CB-CE2 4Å; C170-F173 PolarHBondContact O-N 3.34Å; E171-F173 VanDerWaalsContact C-N 3.25Å; E171-F173 PolarHBondContact O-N 3.43Å
174	P	90.3	Very high	83.6	Confident	40 Å²	40	75.7 Å²	75.7	26%	0.26	41%	0.405	S	S	.	.			trans	-70.8	144.2	-178.7	29.8	-35.7	0	0	0	112.2	P140 R143 C179	P140-P174 HydrophobicContact CG-CG 4.22Å; R143-P174 WeakPolarHBondContact CB-O 3.39Å; R143-P174 PolarHBondContact N-O 3.32Å; P174-C179 HydrophobicContact CG-CB 3.82Å
175	E	84.1	Confident	81	Confident	136 Å²	136	79.8 Å²	79.8	64%	0.636	43%	0.432	S	S	*	.	S	Bend	trans	-85.5	-36.8	167	-72.6	-178.8	-174	0	0	111.5	R143	R143-E175 HydrophobicContact CB-CG 3.94Å; R143-E175 VanDerWaalsContact CD-OE1 3.26Å; R143-E175 WeakPolarHBondContact CD-OE1 3.36Å; R143-E175 HydrophobicContact CG-CG 4.28Å; R143-E175 IonicContact CZ-OE1 2.72Å; R143-E175 IonicContact NE-OE1 3.2Å; R143-E175 IonicContact NH1-OE1 3.69Å; R143-E175 PolarHBondContact NH1-OE1 3.07Å
176	E	74.8	Confident	78.2	Confident	182 Å²	182	87.2 Å²	87.2	85%	0.85	46%	0.463	S	S	*	.	S	Bend	trans	-126.8	142	178	-61.7	-176.2	172.3	0	0	109.4
177	G	77	Confident	75.3	Confident	64 Å²	64	86.6 Å²	86.6	66%	0.66	47%	0.469	S	S	*	.	S	Bend	trans	124.3	-169.7	-178	0	0	0	0	0	113	C179	G177-C179 PolarHBondContact O-N 3.11Å
178	L	82.4	Confident	72.3	Confident	121 Å²	121	89 Å²	89	63%	0.634	48%	0.484	S	S	*	.	S	Bend	trans	-74.5	107.9	176.3	-176.4	67.4	0	0	0	109.5	L135 I139	L135-L178 HydrophobicContact CD2-CD2 4.39Å; I139-L178 HydrophobicContact CD1-CD1 4.44Å; I139-L178 HydrophobicContact CD1-CD2 3.91Å; I139-L178 HydrophobicContact CD1-CG 4.19Å; I139-L178 HydrophobicContact CG1-CD2 4.14Å; I139-L178 HydrophobicContact CG1-CG 4.49Å; I139-L178 HydrophobicContact CG2-CD2 4.49Å; I139-L178 HydrophobicContact CG2-CG 3.99Å
179	C	88.7	Confident	69.3	Low	29 Å²	29	97.5 Å²	97.5	20%	0.196	52%	0.524	C	S	.	.			trans	-148.3	161.2	176.7	63.8	0	0	0	0	110.8	P140 C142 P174 G177	P140-C179 CarbonylContact O-C 3.49Å; P140-C179 VanDerWaalsContact O-CA 3.23Å; P140-C179 WeakPolarHBondContact O-CA 3.49Å; P140-C179 WeakPolarHBondContact O-CB 3.38Å; C142-C179 WeakPolarHBondContact CA-SG 3.2Å; C142-C179 HydrophobicContact CB-CB 3.87Å; C142-C179 WeakPolarHBondContact CB-SG 3.4Å; C142-C179 WeakPolarHBondContact SG-CB 3.44Å; C142-C179 PolarHBondContact SG-O 2.73Å; C142-C179 CovalentContact SG-SG 2.03Å; C142-C179 PolarHBondContact SG-SG 3.32Å; P174-C179 HydrophobicContact CG-CB 3.82Å; G177-C179 PolarHBondContact O-N 3.11Å
180	V	86.3	Confident	65.9	Low	26 Å²	26	107 Å²	107	16%	0.158	56%	0.556	C	S	.	*	B	Isolated β-bridge	trans	-97.5	119.9	-179.8	-175.3	0	0	0	0	110.5	F122 T126 V131 I139 P140 P141 C142 L145	F122-V180 HydrophobicContact CE1-CG1 4.07Å; F122-V180 HydrophobicContact CZ-CG1 3.59Å; T126-V180 HydrophobicContact CG2-CB 4.11Å; T126-V180 HydrophobicContact CG2-CG1 3.65Å; V131-V180 HydrophobicContact CG1-CG2 4.04Å; I139-V180 HydrophobicContact CB-CG2 4.12Å; I139-V180 HydrophobicContact CG2-CG2 3.79Å; P140-V180 PolarHBondContact O-N 3.03Å; P141-V180 CarbonylContact C-O 3.54Å; P141-V180 WeakPolarHBondContact CA-O 3.43Å; C142-V180 PolarHBondContact N-O 2.8Å; C142-V180 VanDerWaalsContact SG-C 3.54Å; L145-V180 WeakPolarHBondContact CD2-O 3.34Å
181	G	76.7	Confident	62.6	Low	32 Å²	32	111.8 Å²	111.8	33%	0.33	59%	0.587	S	S	.	*			trans	-179.3	158	176.9	0	0	0	0	0	114.2
182	E	67.3	Low	59.3	Low	102 Å²	102	110.4 Å²	110.4	48%	0.477	59%	0.593	S	S	.	*			trans	-78	140.2	173.6	-71.5	-172.3	151.4	0	0	111.7	H144 K184	H144-E182 PolarHBondContact CD2-O 3.46Å; H144-E182 PolarHBondContact NE2-O 3.28Å; E182-K184 PolarHBondContact O-N 3.05Å; E182-K184 VanDerWaalsContact O-N 3.13Å; E182-K184 WeakPolarHBondContact OE2-CE 3.23Å; E182-K184 IonicContact OE2-NZ 3.02Å
183	N	54.3	Low	56.3	Low	145 Å²	145	110.2 Å²	110.2	78%	0.775	60%	0.603	S	S	*	*			trans	-83.5	87.2	-179.3	-154.8	5.5	0	0	0	111.5	T185	N183-T185 VanDerWaalsContact C-N 3.34Å; N183-T185 PolarHBondContact O-N 3.16Å; N183-T185 PolarHBondContact OD1-OG1 3.39Å
184	K	49	Very low	53.1	Low	117 Å²	117	116.5 Å²	116.5	51%	0.509	64%	0.637	S	S	.	*			trans	-88.5	30.8	-177.4	-70.3	-175.4	-176.7	168.9	0	115.2	D119 E182 H186	D119-K184 IonicContact OD1-NZ 3.82Å; D119-K184 PolarHBondContact OD1-NZ 2.92Å; D119-K184 IonicContact OD2-NZ 2.68Å; D119-K184 PolarHBondContact OD2-NZ 2.9Å; E182-K184 PolarHBondContact O-N 3.05Å; E182-K184 VanDerWaalsContact O-N 3.13Å; E182-K184 WeakPolarHBondContact OE2-CE 3.23Å; E182-K184 IonicContact OE2-NZ 3.02Å; K184-H186 PolarHBondContact O-N 3.23Å
185	T	36.2	Very low	50.2	Low	104 Å²	104	124.5 Å²	124.5	64%	0.638	67%	0.668	S	S	*	*			trans	-87.1	80	171.4	50	0	0	0	0	110.8	N183	N183-T185 VanDerWaalsContact C-N 3.34Å; N183-T185 PolarHBondContact O-N 3.16Å; N183-T185 PolarHBondContact OD1-OG1 3.39Å
186	H	33.4	Very low	47.4	Very low	194 Å²	194	124 Å²	124	90%	0.898	67%	0.674	S	S	*	*			trans	167.8	83.7	152.4	-91.7	-69.6	0	0	0	110.2	K184	K184-H186 PolarHBondContact O-N 3.23Å
187	S	29.9	Very low	45.1	Very low	120 Å²	120	120.7 Å²	120.7	84%	0.839	67%	0.668	S	S	*	*			trans	-103.5	102	170	-171.2	0	0	0	0	109.5
188	T	29.3	Very low	42.7	Very low	117 Å²	117	125 Å²	125	72%	0.718	68%	0.676	S	S	*	*			trans	-152.3	107.7	163.1	-53.2	0	0	0	0	110.1
189	Q	28.4	Very low	40.2	Very low	180 Å²	180	124.9 Å²	124.9	84%	0.841	68%	0.682	S	S	*	*			trans	53.4	110.9	152.5	-63.4	178	-7.3	0	0	119.2	P191	Q189-P191 WeakPolarHBondContact O-CD 3.15Å
190	R	24.2	Very low	37.2	Very low	245 Å²	245	127.7 Å²	127.7	93%	0.925	70%	0.702	S	S	*	*			trans	-88.3	113.5	168	-174.6	-174.8	-101.6	-167	-6.4	109.6
191	P	25.6	Very low	34.4	Very low	105 Å²	105	137.5 Å²	137.5	68%	0.682	74%	0.736	S	S	*	*			trans	-89.1	136.8	164.8	1.1	19.5	0	0	0	110.1	Q189	Q189-P191 WeakPolarHBondContact O-CD 3.15Å
192	S	24.1	Very low	32	Very low	112 Å²	112	146.7 Å²	146.7	78%	0.783	76%	0.762	S	S	*	*			trans	-52	130	166.6	48.2	0	0	0	0	111.7
193	V	28.3	Very low	30.2	Very low	131 Å²	131	146.7 Å²	146.7	79%	0.794	77%	0.774	S	S	*	*			trans	-129.2	119.7	167.4	-170.1	0	0	0	0	109.8
194	D	24.2	Very low	28.9	Very low	144 Å²	144	146.3 Å²	146.3	77%	0.77	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-65.9	141.7	177.2	-64.7	-56.1	0	0	0	112.3	V196	D194-V196 PolarHBondContact O-N 2.95Å
195	F	29.1	Very low	28	Very low	208 Å²	208	145.5 Å²	145.5	91%	0.912	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-72.5	119.5	170.9	-85.8	-94.3	0	0	0	110.7
196	V	25.7	Very low	27.6	Very low	127 Å²	127	145.1 Å²	145.1	77%	0.77	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-80.5	125.4	167	179.6	0	0	0	0	109.1	D194	D194-V196 PolarHBondContact O-N 2.95Å
197	P	26.8	Very low	27.4	Very low	112 Å²	112	141.3 Å²	141.3	73%	0.727	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-83.8	131	175.6	30.9	-28.9	0	0	0	110.9
198	L	27.4	Very low	27.5	Very low	155 Å²	155	141.1 Å²	141.1	81%	0.812	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-78.5	139.6	170.9	-122.2	83.7	0	0	0	110.6
199	P	28.5	Very low	27.8	Very low	117 Å²	117	142.1 Å²	142.1	76%	0.76	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-82.1	137.7	-163.3	30.8	-31	0	0	0	113.2	R201	P199-R201 PolarHBondContact O-N 3.33Å
200	S	26.5	Very low	28	Very low	88 Å²	88	139.2 Å²	139.2	62%	0.615	78%	0.781	S	S	*	*			trans	-63.5	114.5	161	-40.5	0	0	0	0	109.7
201	R	28.1	Very low	28.5	Very low	233 Å²	233	139.7 Å²	139.7	88%	0.879	78%	0.783	S	S	*	*			trans	-155.1	103.2	154.5	-154	169.6	-73	-153.3	0.9	112.4	P199 S203	P199-R201 PolarHBondContact O-N 3.33Å; R201-S203 PolarHBondContact O-N 3.45Å
202	Y	25.9	Very low	28.7	Very low	224 Å²	224	142.5 Å²	142.5	88%	0.878	79%	0.785	S	S	*	*			trans	-51.9	128	152.2	-91.2	-102.7	0	0	0	109.5
203	S	29.9	Very low	29.1	Very low	103 Å²	103	147 Å²	147	72%	0.72	79%	0.79	S	S	*	*			trans	-161.3	109.3	146.7	-91.7	0	0	0	0	109.8	R201	R201-S203 PolarHBondContact O-N 3.45Å
204	T	26	Very low	29.4	Very low	136 Å²	136	150.1 Å²	150.1	83%	0.834	80%	0.796	S	S	*	*			trans	-8.2	116.2	142.9	52	0	0	0	0	116.1
205	A	29.5	Very low	29.6	Very low	100 Å²	100	146.1 Å²	146.1	83%	0.826	79%	0.79	S	S	*	*			trans	-166.4	126.8	142.5	0	0	0	0	0	109.3
206	A	27.8	Very low	29.8	Very low	97 Å²	97	144.5 Å²	144.5	80%	0.802	79%	0.79	S	S	*	*			trans	-62.1	140.9	171.5	0	0	0	0	0	111.5
207	S	29.4	Very low	30.1	Very low	113 Å²	113	143.5 Å²	143.5	79%	0.79	79%	0.789	S	S	*	*			trans	-166.3	113.1	143.1	-113.8	0	0	0	0	108.4
208	P	32.4	Very low	30.3	Very low	117 Å²	117	146.2 Å²	146.2	76%	0.76	80%	0.798	S	S	*	*			trans	-96.3	105.9	169.6	32.8	-20.5	0	0	0	108.1
209	D	36.4	Very low	30.3	Very low	138 Å²	138	142.6 Å²	142.6	74%	0.738	80%	0.797	S	S	*	*			trans	-147	117.8	163.3	-88.4	-42.3	0	0	0	111.8
210	L	32.4	Very low	30.4	Very low	119 Å²	119	141.8 Å²	141.8	62%	0.623	80%	0.795	S	S	*	*			trans	39.6	116	147.3	-79.5	91.8	0	0	0	120.5	F212	L210-F212 HydrophobicContact CB-CD2 4.27Å; L210-F212 HydrophobicContact CB-CE2 3.97Å; L210-F212 HydrophobicContact CD2-CD1 4.32Å; L210-F212 HydrophobicContact CD2-CD2 4.15Å; L210-F212 HydrophobicContact CD2-CE1 3.76Å; L210-F212 HydrophobicContact CD2-CE2 3.56Å; L210-F212 HydrophobicContact CD2-CG 4.5Å; L210-F212 HydrophobicContact CD2-CZ 3.34Å; L210-F212 HydrophobicContact CG-CE2 4.42Å
211	W	34.6	Very low	30.5	Very low	254 Å²	254	144.5 Å²	144.5	96%	0.962	81%	0.807	S	S	*	*			trans	-131.4	87.1	134.8	46.7	-57.6	0	0	0	109.2
212	F	30.7	Very low	30.5	Very low	165 Å²	165	139.4 Å²	139.4	72%	0.724	80%	0.802	S	S	*	*			trans	16.6	129.2	148.2	-68.7	-87.2	0	0	0	122.2	L210	L210-F212 HydrophobicContact CB-CD2 4.27Å; L210-F212 HydrophobicContact CB-CE2 3.97Å; L210-F212 HydrophobicContact CD2-CD1 4.32Å; L210-F212 HydrophobicContact CD2-CD2 4.15Å; L210-F212 HydrophobicContact CD2-CE1 3.76Å; L210-F212 HydrophobicContact CD2-CE2 3.56Å; L210-F212 HydrophobicContact CD2-CG 4.5Å; L210-F212 HydrophobicContact CD2-CZ 3.34Å; L210-F212 HydrophobicContact CG-CE2 4.42Å
213	F	31.2	Very low	30.6	Very low	205 Å²	205	134 Å²	134	90%	0.899	81%	0.805	S	S	*	*			trans	-71.3	134.1	145.4	-84.2	-95.2	0	0	0	111.4
214	Q	35.7	Very low	30.5	Very low	197 Å²	197	132.7 Å²	132.7	92%	0.921	81%	0.807	S	S	*	*			trans	-174.7	131	149	-127.2	165.4	-17.8	0	0	105.5
215	G	28.6	Very low	30.7	Very low	61 Å²	61	130.7 Å²	130.7	63%	0.629	81%	0.813	S	S	*	*			cis	168.4	133.7	3	0	0	0	0	0	104
216	D	32.5	Very low	31	Very low	173 Å²	173	129.4 Å²	129.4	93%	0.925	81%	0.81	S	S	*	*				172	137.6	126.7	-89.3	-13.2	0	0	0	113.1
217	S	32.8	Very low	32.3	Very low	106 Å²	106	128.1 Å²	128.1	74%	0.741	81%	0.806	S	S	*	*			trans	-85.8	132.3	-173	-50.8	0	0	0	0	110.8
218	N	29.9	Very low	33.9	Very low	170 Å²	170	125.2 Å²	125.2	91%	0.909	79%	0.789	S	S	*	*			trans	167.9	124.5	132.6	-90.4	-18.6	0	0	0	110.6
219	G	28	Very low	36.2	Very low	78 Å²	78	122.7 Å²	122.7	80%	0.804	77%	0.774	S	S	*	*			trans	129.5	98	153.7	0	0	0	0	0	116.7
220	S	29.8	Very low	38.6	Very low	101 Å²	101	117.4 Å²	117.4	71%	0.706	74%	0.744	S	S	*	*			trans	71.8	91.2	147.1	-161.6	0	0	0	0	119	T222	S220-T222 PolarHBondContact O-N 3.38Å; S220-T222 PolarHBondContact OG-OG1 3.48Å
221	T	28.4	Very low	41.2	Very low	144 Å²	144	117.2 Å²	117.2	88%	0.883	74%	0.74	S	S	*	*			trans	-52	107.4	140.8	44.8	0	0	0	0	111.4
222	T	29.8	Very low	43.8	Very low	126 Å²	126	106.1 Å²	106.1	77%	0.773	70%	0.701	S	S	*	*			trans	-150.9	131.2	148.1	21.5	0	0	0	0	109.4	S220	S220-T222 PolarHBondContact O-N 3.38Å; S220-T222 PolarHBondContact OG-OG1 3.48Å
223	A	26.3	Very low	46.6	Very low	112 Å²	112	98.5 Å²	98.5	93%	0.926	67%	0.668	S	S	*	*			trans	-44.9	139.4	-175	0	0	0	0	0	116.5
224	G	28.8	Very low	49.1	Very low	74 Å²	74	95.3 Å²	95.3	76%	0.763	65%	0.65	S	S	*	*			trans	157.2	96.8	165.3	0	0	0	0	0	110.9	G226	G224-G226 PolarHBondContact O-N 3.3Å
225	G	30.7	Very low	51.4	Low	94 Å²	94	87.7 Å²	87.7	97%	0.969	61%	0.613	S	S	*	*			trans	-66.3	76.3	177.2	0	0	0	0	0	112.1	G227	G225-G227 PolarHBondContact O-N 3.13Å
226	G	34.7	Very low	54.1	Low	74 Å²	74	84.9 Å²	84.9	76%	0.763	58%	0.583	S	S	*	*			trans	-83.1	84.6	179	0	0	0	0	0	111	G224 A228	G224-G226 PolarHBondContact O-N 3.3Å; G226-A228 PolarHBondContact O-N 3.04Å
227	G	54.9	Low	56.4	Low	69 Å²	69	79.2 Å²	79.2	71%	0.711	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-59.3	125.3	161.6	0	0	0	0	0	108.6	G225 S229	G225-G227 PolarHBondContact O-N 3.13Å; G227-S229 PolarHBondContact O-N 3.43Å
228	A	63.4	Low	58.2	Low	53 Å²	53	74.3 Å²	74.3	44%	0.438	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-58.4	128	177.1	0	0	0	0	0	109.7	G226 P603	G226-A228 PolarHBondContact O-N 3.04Å; A228-P603 HydrophobicContact CB-CG 4.45Å; A228-P603 VanDerWaalsContact O-CB 3.3Å; A228-P603 WeakPolarHBondContact O-CB 3.46Å
229	S	80.2	Confident	59.7	Low	64 Å²	64	68.6 Å²	68.6	45%	0.448	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-68.4	150.5	176.8	178.4	0	0	0	0	110.8	G227 E253	G227-S229 PolarHBondContact O-N 3.43Å; S229-E253 WeakPolarHBondContact CB-OE1 3.26Å; S229-E253 PolarHBondContact OG-OE1 2.91Å; S229-E253 PolarHBondContact OG-OE2 3.19Å
230	Y	87.1	Confident	61.2	Low	27 Å²	27	66.1 Å²	66.1	11%	0.106	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-72.9	142.8	175.8	-57.8	-86.4	0	0	0	109.6	V250 E253 L255 V580 Y583 P603	Y230-V250 HydrophobicContact CD1-CG1 3.7Å; Y230-V250 HydrophobicContact CD2-CG1 4.28Å; Y230-V250 HydrophobicContact CE1-CG1 4.01Å; Y230-V250 HydrophobicContact CG-CB 4.45Å; Y230-V250 HydrophobicContact CG-CG1 3.86Å; Y230-E253 WeakPolarHBondContact CA-OE2 3.31Å; Y230-E253 VanDerWaalsContact CB-OE2 3.24Å; Y230-E253 WeakPolarHBondContact CB-OE2 3.31Å; Y230-E253 HydrophobicContact CD2-CG 4.42Å; Y230-E253 WeakPolarHBondContact CD2-OE2 3.31Å; Y230-E253 PolarHBondContact N-OE2 3.38Å; Y230-L255 WeakPolarHBondContact O-CD2 3.22Å; Y230-V580 HydrophobicContact CE1-CG1 4.43Å; Y230-V580 VanDerWaalsContact OH-CG1 3.28Å; Y230-V580 WeakPolarHBondContact OH-CG1 3.49Å; Y230-Y583 AromaticContact CD1-CD1 3.7Å; Y230-Y583 HydrophobicContact CD1-CD1 3.7Å; Y230-Y583 HydrophobicContact CD1-CD2 4.25Å; Y230-Y583 AromaticContact CD1-CE1 3.91Å; Y230-Y583 HydrophobicContact CD1-CE1 3.91Å; Y230-Y583 HydrophobicContact CD1-CE2 4.4Å; Y230-Y583 AromaticContact CD1-CG 3.9Å; Y230-Y583 HydrophobicContact CD1-CG 3.9Å; Y230-Y583 HydrophobicContact CE1-CD1 4.12Å; Y230-Y583 HydrophobicContact CE1-CG 4.41Å; Y230-P603 HydrophobicContact CD1-CB 4.06Å; Y230-P603 HydrophobicContact CD1-CG 3.82Å; Y230-P603 HydrophobicContact CE1-CB 3.81Å; Y230-P603 HydrophobicContact CE1-CG 4.1Å; Y230-P603 HydrophobicContact CG-CG 4.34Å
231	Q	87.5	Confident	62	Low	115 Å²	115	70.5 Å²	70.5	54%	0.537	46%	0.464	S	S	.	.			trans	-131.8	144.7	-178.4	-64.7	179.5	18.3	0	0	109.6	P233 Y583	Q231-P233 WeakPolarHBondContact O-CD 3.48Å; Q231-Y583 PolarHBondContact N-OH 2.97Å; Q231-Y583 VanDerWaalsContact O-CE2 3.26Å; Q231-Y583 WeakPolarHBondContact O-CE2 3.23Å; Q231-Y583 PolarHBondContact O-OH 3.29Å
232	C	88.9	Confident	62.9	Low	21 Å²	21	69 Å²	69	14%	0.142	45%	0.45	C	S	.	.			trans	-66.2	129.2	173.6	-167.5	0	0	0	0	109.6	L236 Q237 C258	C232-L236 VanDerWaalsContact SG-C 3.51Å; C232-L236 PolarHBondContact SG-O 3.41Å; C232-L236 VanDerWaalsContact SG-O 3.35Å; C232-Q237 HydrophobicContact CB-CB 4.43Å; C232-C258 HydrophobicContact CB-CB 3.77Å; C232-C258 WeakPolarHBondContact CB-SG 3.25Å; C232-C258 WeakPolarHBondContact SG-CA 3.38Å; C232-C258 WeakPolarHBondContact SG-CB 3.43Å; C232-C258 CovalentContact SG-SG 2.04Å; C232-C258 PolarHBondContact SG-SG 3.5Å
233	P	89.5	Confident	64.2	Low	4 Å²	4	63.1 Å²	63.1	3%	0.026	41%	0.414	C	S	.	.			trans	-58.5	144.1	174.4	-26.2	37.6	0	0	0	111.3	Q231 R235 L236 Q237 F596 F598	Q231-P233 WeakPolarHBondContact O-CD 3.48Å; P233-R235 VanDerWaalsContact C-N 3.29Å; P233-R235 PolarHBondContact O-N 2.95Å; P233-L236 HydrophobicContact CB-CB 4.31Å; P233-L236 HydrophobicContact CB-CD1 4.19Å; P233-L236 HydrophobicContact CB-CG 4.33Å; P233-L236 HydrophobicContact CG-CD1 4.03Å; P233-L236 CarbonylContact O-C 3.57Å; P233-L236 WeakPolarHBondContact O-CA 3.29Å; P233-L236 PolarHBondContact O-N 3.12Å; P233-Q237 PolarHBondContact O-N 3.48Å; P233-Q237 VanDerWaalsContact O-N 3.12Å; P233-F596 CarbonylContact C-O 3.34Å; P233-F596 HydrophobicContact CB-CB 4.06Å; P233-F596 WeakPolarHBondContact CB-O 2.92Å; P233-F598 HydrophobicContact CB-CD1 4.43Å; P233-F598 HydrophobicContact CB-CD2 4.16Å; P233-F598 HydrophobicContact CB-CE2 4.34Å; P233-F598 HydrophobicContact CB-CG 4.2Å; P233-F598 HydrophobicContact CG-CD1 3.62Å; P233-F598 HydrophobicContact CG-CD2 3.91Å; P233-F598 HydrophobicContact CG-CE1 3.46Å; P233-F598 VanDerWaalsContact CG-CE1 3.46Å; P233-F598 HydrophobicContact CG-CE2 3.76Å; P233-F598 HydrophobicContact CG-CG 3.84Å; P233-F598 HydrophobicContact CG-CZ 3.53Å
234	R	84.2	Confident	65.3	Low	138 Å²	138	61.8 Å²	61.8	52%	0.521	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-55	-42.4	-170.8	-66.5	-177.7	-177.6	170.4	-3.4	113	L236 Q237 F596 G597	R234-L236 VanDerWaalsContact C-N 3.27Å; R234-L236 PolarHBondContact O-N 3.2Å; R234-Q237 PolarHBondContact O-N 2.97Å; R234-F596 PolarHBondContact N-O 2.76Å; R234-G597 PolarHBondContact N-O 3.03Å
235	R	83.1	Confident	66.8	Low	38 Å²	38	62 Å²	62	14%	0.143	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-86.7	9.9	179.1	-57.4	-171.9	-167.1	141.7	-1.8	113.7	P233 F342 D344 I401 I403 S594 L595 F596	P233-R235 VanDerWaalsContact C-N 3.29Å; P233-R235 PolarHBondContact O-N 2.95Å; R235-F342 HydrophobicContact CB-CD1 3.82Å; R235-F342 HydrophobicContact CB-CE1 3.81Å; R235-F342 HydrophobicContact CB-CG 4.21Å; R235-F342 HydrophobicContact CB-CZ 4.25Å; R235-F342 HydrophobicContact CG-CD1 4Å; R235-F342 HydrophobicContact CG-CE1 4.45Å; R235-F342 HydrophobicContact CG-CG 4.34Å; R235-F342 WeakPolarHBondContact O-CE1 3.28Å; R235-F342 WeakPolarHBondContact O-CZ 3.21Å; R235-D344 IonicContact CZ-OD1 3.36Å; R235-D344 IonicContact CZ-OD2 3.78Å; R235-D344 IonicContact NE-OD1 3.52Å; R235-D344 PolarHBondContact NE-OD1 2.87Å; R235-D344 IonicContact NH2-OD1 2.77Å; R235-D344 PolarHBondContact NH2-OD1 3.26Å; R235-D344 IonicContact NH2-OD2 2.72Å; R235-D344 PolarHBondContact NH2-OD2 3.1Å; R235-I401 VanDerWaalsContact NH1-CD1 3.33Å; R235-I401 VanDerWaalsContact NH2-CD1 3.35Å; R235-I403 HydrophobicContact CB-CD1 3.75Å; R235-S594 PolarHBondContact NH1-O 3.29Å; R235-L595 WeakPolarHBondContact CD-O 3.4Å; R235-L595 PolarHBondContact NH1-O 2.91Å; R235-F596 WeakPolarHBondContact CB-O 3.42Å; R235-F596 PolarHBondContact N-O 2.75Å
236	L	85.3	Confident	68.7	Low	2 Å²	2	58.5 Å²	58.5	1%	0.01	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-118.8	1.4	169.8	-63.8	178.6	0	0	0	111.8	C232 P233 R234 C258 V259 P261 I403 V405 F596	C232-L236 VanDerWaalsContact SG-C 3.51Å; C232-L236 PolarHBondContact SG-O 3.41Å; C232-L236 VanDerWaalsContact SG-O 3.35Å; P233-L236 HydrophobicContact CB-CB 4.31Å; P233-L236 HydrophobicContact CB-CD1 4.19Å; P233-L236 HydrophobicContact CB-CG 4.33Å; P233-L236 HydrophobicContact CG-CD1 4.03Å; P233-L236 CarbonylContact O-C 3.57Å; P233-L236 WeakPolarHBondContact O-CA 3.29Å; P233-L236 PolarHBondContact O-N 3.12Å; R234-L236 VanDerWaalsContact C-N 3.27Å; R234-L236 PolarHBondContact O-N 3.2Å; L236-C258 WeakPolarHBondContact O-CA 3.45Å; L236-V259 HydrophobicContact CB-CG2 4.21Å; L236-V259 HydrophobicContact CD2-CG2 4Å; L236-V259 WeakPolarHBondContact O-CG2 3.4Å; L236-V259 PolarHBondContact O-N 3.04Å; L236-P261 HydrophobicContact CD1-CG 4.42Å; L236-P261 HydrophobicContact CD2-CB 4.44Å; L236-I403 HydrophobicContact CD2-CG2 4.3Å; L236-V405 HydrophobicContact CD2-CG1 4.33Å; L236-F596 HydrophobicContact CD1-CB 4.09Å; L236-F596 HydrophobicContact CD1-CD1 4.01Å; L236-F596 HydrophobicContact CD1-CG 4.1Å; L236-F596 HydrophobicContact CD2-CD1 3.93Å; L236-F596 HydrophobicContact CD2-CE1 4.41Å; L236-F596 HydrophobicContact CG-CB 4.27Å; L236-F596 HydrophobicContact CG-CD1 4.05Å; L236-F596 HydrophobicContact CG-CG 4.45Å
237	Q	82.1	Confident	70.8	Confident	53 Å²	53	60 Å²	60	25%	0.248	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-88	133.9	176.4	-168.7	170.7	1.5	0	0	109.9	V54 C232 P233 R234 Q257	V54-Q237 WeakPolarHBondContact CG1-O 3.44Å; C232-Q237 HydrophobicContact CB-CB 4.43Å; P233-Q237 PolarHBondContact O-N 3.48Å; P233-Q237 VanDerWaalsContact O-N 3.12Å; R234-Q237 PolarHBondContact O-N 2.97Å; Q237-Q257 CarbonylContact C-O 2.9Å; Q237-Q257 WeakPolarHBondContact CA-O 3.16Å
238	L	70.5	Confident	72.2	Confident	4 Å²	4	57 Å²	57	2%	0.021	29%	0.291	C	S	.	.			trans	-103.7	139	174.2	-57.6	-178.5	0	0	0	109.2	V52 V54 V243 Y246 Q257 V259 L340	V52-L238 HydrophobicContact CG1-CD1 4.19Å; V52-L238 HydrophobicContact CG1-CD2 3.98Å; V54-L238 HydrophobicContact CG2-CD2 3.53Å; L238-V243 HydrophobicContact CD1-CB 4.24Å; L238-V243 HydrophobicContact CD1-CG1 3.37Å; L238-Y246 HydrophobicContact CD1-CD1 4.36Å; L238-Y246 HydrophobicContact CD1-CG 4.36Å; L238-Q257 PolarHBondContact N-O 3.16Å; L238-Q257 VanDerWaalsContact O-CB 3.27Å; L238-Q257 WeakPolarHBondContact O-CB 3.48Å; L238-V259 HydrophobicContact CD1-CG1 3.36Å; L238-V259 HydrophobicContact CD2-CG1 4.17Å; L238-V259 HydrophobicContact CG-CG1 3.74Å; L238-L340 HydrophobicContact CD2-CD1 4.35Å
239	T	61.5	Low	73.3	Confident	49 Å²	49	58.4 Å²	58.4	30%	0.301	29%	0.286	S	S	.	.			trans	-108.6	-3.3	-176.4	43	0	0	0	0	114.1	S55 P57	S55-T239 WeakPolarHBondContact CA-OG1 3.5Å; S55-T239 WeakPolarHBondContact CB-OG1 3.44Å; S55-T239 PolarHBondContact N-OG1 3.17Å; S55-T239 WeakPolarHBondContact O-CB 3.47Å; S55-T239 WeakPolarHBondContact O-CG2 3.3Å; S55-T239 PolarHBondContact O-OG1 3.11Å; P57-T239 HydrophobicContact CB-CG2 4.09Å; P57-T239 HydrophobicContact CG-CG2 4.37Å
240	T	58.9	Low	73.6	Confident	27 Å²	27	55.4 Å²	55.4	17%	0.166	27%	0.265	C	S	.	.			trans	-76.9	131.8	-179.8	45.9	0	0	0	0	112.4	V53 D242 V243	V53-T240 HydrophobicContact CB-CG2 4.11Å; V53-T240 VanDerWaalsContact O-CG2 3.25Å; V53-T240 WeakPolarHBondContact O-CG2 3.37Å; T240-D242 PolarHBondContact O-N 3.21Å; T240-V243 PolarHBondContact O-N 3.36Å; T240-V243 VanDerWaalsContact O-N 3.1Å; T240-V243 WeakPolarHBondContact OG1-CG2 3.49Å
241	K	47	Very low	73.4	Confident	193 Å²	193	54.5 Å²	54.5	84%	0.839	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-57.1	-30.2	173.5	-121.3	-179.3	-178.6	178.7	0	112.7	V243	K241-V243 PolarHBondContact O-N 3.39Å; K241-V243 VanDerWaalsContact O-N 3.12Å
242	D	47.1	Very low	73	Confident	113 Å²	113	56.2 Å²	56.2	60%	0.604	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-71.4	-0.1	179.1	-62.7	-34.7	0	0	0	113.5	T240 R411	T240-D242 PolarHBondContact O-N 3.21Å; D242-R411 PolarHBondContact O-NH1 2.82Å; D242-R411 PolarHBondContact O-NH2 3.29Å
243	V	56.2	Low	72.8	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.006	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-124.3	23.5	-171.3	-162.4	0	0	0	0	112	V52 L238 T240 K241 E245 Y246	V52-V243 HydrophobicContact CG1-CG2 4.05Å; V52-V243 HydrophobicContact CG2-CG2 4.02Å; L238-V243 HydrophobicContact CD1-CB 4.24Å; L238-V243 HydrophobicContact CD1-CG1 3.37Å; T240-V243 PolarHBondContact O-N 3.36Å; T240-V243 VanDerWaalsContact O-N 3.1Å; T240-V243 WeakPolarHBondContact OG1-CG2 3.49Å; K241-V243 PolarHBondContact O-N 3.39Å; K241-V243 VanDerWaalsContact O-N 3.12Å; V243-E245 PolarHBondContact O-N 3.43Å; V243-Y246 HydrophobicContact CB-CD2 4.26Å; V243-Y246 HydrophobicContact CG1-CD1 4.41Å; V243-Y246 HydrophobicContact CG1-CD2 2.96Å; V243-Y246 HydrophobicContact CG1-CE2 3.23Å; V243-Y246 HydrophobicContact CG1-CG 3.59Å; V243-Y246 PolarHBondContact O-N 2.88Å; V243-Y246 VanDerWaalsContact O-N 3.13Å
244	S	49.6	Very low	72.5	Confident	84 Å²	84	62.8 Å²	62.8	59%	0.587	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-18.3	175.5	56	0	0	0	0	114.4
245	E	61	Low	72.6	Confident	79 Å²	79	57.2 Å²	57.2	37%	0.369	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-22.2	177.8	-71.4	158.9	-168.2	0	0	113.6	V243 Q247 R411 Q479	V243-E245 PolarHBondContact O-N 3.43Å; E245-Q247 PolarHBondContact O-N 2.78Å; E245-R411 IonicContact OE1-NH2 3.61Å; E245-R411 IonicContact OE2-CZ 2.76Å; E245-R411 IonicContact OE2-NE 3.78Å; E245-R411 IonicContact OE2-NH2 3.41Å; E245-R411 PolarHBondContact OE2-NH2 2.85Å; E245-Q479 PolarHBondContact OE1-OE1 2.79Å; E245-Q479 PolarHBondContact OE2-OE1 3.09Å
246	Y	70.8	Confident	72.6	Confident	20 Å²	20	64.4 Å²	64.4	8%	0.078	31%	0.314	C	S	.	.			trans	-79	117.5	-176.7	-74.7	-115.1	0	0	0	109.5	L238 V243 Q257 V259 Q408	L238-Y246 HydrophobicContact CD1-CD1 4.36Å; L238-Y246 HydrophobicContact CD1-CG 4.36Å; V243-Y246 HydrophobicContact CB-CD2 4.26Å; V243-Y246 HydrophobicContact CG1-CD1 4.41Å; V243-Y246 HydrophobicContact CG1-CD2 2.96Å; V243-Y246 HydrophobicContact CG1-CE2 3.23Å; V243-Y246 HydrophobicContact CG1-CG 3.59Å; V243-Y246 PolarHBondContact O-N 2.88Å; V243-Y246 VanDerWaalsContact O-N 3.13Å; Y246-Q257 PolarHBondContact O-N 2.64Å; Y246-V259 HydrophobicContact CD1-CG1 3.69Å; Y246-V259 HydrophobicContact CE1-CG1 4.06Å; Y246-Q408 HydrophobicContact CD1-CB 3.65Å; Y246-Q408 HydrophobicContact CD1-CG 4.01Å; Y246-Q408 HydrophobicContact CE1-CB 3.56Å; Y246-Q408 HydrophobicContact CE1-CG 4.13Å; Y246-Q408 HydrophobicContact CG-CB 4.37Å; Y246-Q408 VanDerWaalsContact CZ-O 3.31Å; Y246-Q408 PolarHBondContact OH-O 3.43Å; Y246-Q408 VanDerWaalsContact OH-O 3.09Å
247	Q	78.7	Confident	72.3	Confident	105 Å²	105	67.4 Å²	67.4	49%	0.491	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	143	-178.9	59.8	-176.9	-15.6	0	0	110	E245 I254 L255	E245-Q247 PolarHBondContact O-N 2.78Å; Q247-I254 HydrophobicContact CB-CG2 3.98Å; Q247-L255 WeakPolarHBondContact CA-O 3.44Å
248	V	83.8	Confident	72.5	Confident	6 Å²	6	65.1 Å²	65.1	4%	0.036	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.4	179.1	177.6	0	0	0	0	108.3	V250 L255 C258 L260 M579	V248-V250 HydrophobicContact CG1-CG2 3.99Å; V248-L255 PolarHBondContact N-O 3.21Å; V248-L255 PolarHBondContact O-N 3.4Å; V248-C258 HydrophobicContact CG2-CB 4.45Å; V248-C258 WeakPolarHBondContact CG2-O 3.29Å; V248-L260 HydrophobicContact CB-CD2 4.33Å; V248-L260 HydrophobicContact CG1-CD1 4.3Å; V248-L260 HydrophobicContact CG1-CD2 3.61Å; V248-L260 HydrophobicContact CG1-CG 4.23Å; V248-L260 HydrophobicContact CG2-CD1 4.03Å; V248-L260 HydrophobicContact CG2-CD2 3.75Å; V248-L260 HydrophobicContact CG2-CG 3.64Å; V248-M579 HydrophobicContact CG1-CE 3.61Å
249	R	86.1	Confident	73.2	Confident	84 Å²	84	65 Å²	65	32%	0.317	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	118.7	174.5	-172.8	174.8	-179.9	164.1	1.8	110.4	G251 E253	R249-G251 PolarHBondContact NE-O 3.11Å; R249-E253 WeakPolarHBondContact CA-O 3.37Å
250	V	86.2	Confident	74.5	Confident	1 Å²	1	63 Å²	63	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	105.6	173.9	-174.7	0	0	0	0	107.8	Y230 V248 D252 E253 L255 M579 V580 Y583	Y230-V250 HydrophobicContact CD1-CG1 3.7Å; Y230-V250 HydrophobicContact CD2-CG1 4.28Å; Y230-V250 HydrophobicContact CE1-CG1 4.01Å; Y230-V250 HydrophobicContact CG-CB 4.45Å; Y230-V250 HydrophobicContact CG-CG1 3.86Å; V248-V250 HydrophobicContact CG1-CG2 3.99Å; V250-D252 PolarHBondContact O-N 2.88Å; V250-E253 PolarHBondContact N-O 3.46Å; V250-E253 PolarHBondContact O-N 3.38Å; V250-E253 VanDerWaalsContact O-N 3.14Å; V250-L255 HydrophobicContact CB-CD1 4.45Å; V250-L255 HydrophobicContact CG2-CD1 3.85Å; V250-M579 HydrophobicContact CG2-CE 4.08Å; V250-V580 HydrophobicContact CG1-CG2 4.05Å; V250-Y583 HydrophobicContact CG1-CD2 4.28Å; V250-Y583 HydrophobicContact CG1-CG 4.33Å
251	G	82.8	Confident	76.1	Confident	8 Å²	8	61.7 Å²	61.7	8%	0.082	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	-128.5	-173.2	0	0	0	0	0	111.4	R249 T576 V580	R249-G251 PolarHBondContact NE-O 3.11Å; G251-T576 VanDerWaalsContact CA-CG2 3.41Å; G251-T576 VanDerWaalsContact O-CG2 3.31Å; G251-T576 WeakPolarHBondContact O-CG2 3.18Å; G251-V580 VanDerWaalsContact CA-CG2 3.5Å; G251-V580 VanDerWaalsContact N-CG2 3.31Å
252	D	80.4	Confident	78.1	Confident	150 Å²	150	52.8 Å²	52.8	80%	0.802	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-3.2	174.6	-63.6	-40	0	0	0	112.8	V250	V250-D252 PolarHBondContact O-N 2.88Å
253	E	83.3	Confident	80.1	Confident	63 Å²	63	49 Å²	49	29%	0.294	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	141.6	-177.7	-63.1	-176.9	171.6	0	0	111.6	S229 Y230 R249 V250	S229-E253 WeakPolarHBondContact CB-OE1 3.26Å; S229-E253 PolarHBondContact OG-OE1 2.91Å; S229-E253 PolarHBondContact OG-OE2 3.19Å; Y230-E253 WeakPolarHBondContact CA-OE2 3.31Å; Y230-E253 VanDerWaalsContact CB-OE2 3.24Å; Y230-E253 WeakPolarHBondContact CB-OE2 3.31Å; Y230-E253 HydrophobicContact CD2-CG 4.42Å; Y230-E253 WeakPolarHBondContact CD2-OE2 3.31Å; Y230-E253 PolarHBondContact N-OE2 3.38Å; R249-E253 WeakPolarHBondContact CA-O 3.37Å; V250-E253 PolarHBondContact N-O 3.46Å; V250-E253 PolarHBondContact O-N 3.38Å; V250-E253 VanDerWaalsContact O-N 3.14Å
254	I	84.7	Confident	81.3	Confident	100 Å²	100	53.5 Å²	53.5	51%	0.513	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	108.7	174.5	-58.7	174.7	0	0	0	107.7	Q247 R256	Q247-I254 HydrophobicContact CB-CG2 3.98Å; I254-R256 PolarHBondContact O-N 3.47Å
255	L	85.5	Confident	83.2	Confident	21 Å²	21	50.1 Å²	50.1	11%	0.11	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	107.2	176.2	-58.3	178.2	0	0	0	108.7	Y230 Q247 V248 V250 C258	Y230-L255 WeakPolarHBondContact O-CD2 3.22Å; Q247-L255 WeakPolarHBondContact CA-O 3.44Å; V248-L255 PolarHBondContact N-O 3.21Å; V248-L255 PolarHBondContact O-N 3.4Å; V250-L255 HydrophobicContact CB-CD1 4.45Å; V250-L255 HydrophobicContact CG2-CD1 3.85Å; L255-C258 HydrophobicContact CB-CB 3.93Å
256	R	82.2	Confident	84.6	Confident	189 Å²	189	48.5 Å²	48.5	71%	0.713	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81	153.2	175.5	-65.7	-177	178.3	168.5	0	111	I254 C258	I254-R256 PolarHBondContact O-N 3.47Å; R256-C258 PolarHBondContact O-N 3.36Å
257	Q	80	Confident	85.6	Confident	65 Å²	65	48.6 Å²	48.6	30%	0.304	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	35	-178.9	-51.1	174.2	-67.9	0	0	112.5	Q237 L238 Y246	Q237-Q257 CarbonylContact C-O 2.9Å; Q237-Q257 WeakPolarHBondContact CA-O 3.16Å; L238-Q257 PolarHBondContact N-O 3.16Å; L238-Q257 VanDerWaalsContact O-CB 3.27Å; L238-Q257 WeakPolarHBondContact O-CB 3.48Å; Y246-Q257 PolarHBondContact O-N 2.64Å
258	C	85.8	Confident	86.1	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.034	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-118.7	133.4	-178.4	-159.8	0	0	0	0	109.4	C232 L236 V248 L255 R256	C232-C258 HydrophobicContact CB-CB 3.77Å; C232-C258 WeakPolarHBondContact CB-SG 3.25Å; C232-C258 WeakPolarHBondContact SG-CA 3.38Å; C232-C258 WeakPolarHBondContact SG-CB 3.43Å; C232-C258 CovalentContact SG-SG 2.04Å; C232-C258 PolarHBondContact SG-SG 3.5Å; L236-C258 WeakPolarHBondContact O-CA 3.45Å; V248-C258 HydrophobicContact CG2-CB 4.45Å; V248-C258 WeakPolarHBondContact CG2-O 3.29Å; L255-C258 HydrophobicContact CB-CB 3.93Å; R256-C258 PolarHBondContact O-N 3.36Å
259	V	86.4	Confident	86.4	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.018	25%	0.245	C	C	.	.			trans	-105.4	158.7	174.9	-59.4	0	0	0	0	111.6	L236 L238 Y246 V405	L236-V259 HydrophobicContact CB-CG2 4.21Å; L236-V259 HydrophobicContact CD2-CG2 4Å; L236-V259 WeakPolarHBondContact O-CG2 3.4Å; L236-V259 PolarHBondContact O-N 3.04Å; L238-V259 HydrophobicContact CD1-CG1 3.36Å; L238-V259 HydrophobicContact CD2-CG1 4.17Å; L238-V259 HydrophobicContact CG-CG1 3.74Å; Y246-V259 HydrophobicContact CD1-CG1 3.69Å; Y246-V259 HydrophobicContact CE1-CG1 4.06Å; V259-V405 HydrophobicContact CB-CB 4.32Å; V259-V405 HydrophobicContact CG2-CB 4.04Å; V259-V405 HydrophobicContact CG2-CG1 3.7Å
260	L	89.1	Confident	86.6	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.026	25%	0.252	C	S	.	.			trans	-101.6	137	176.1	-64.2	171.7	0	0	0	109.9	V248 M265 V405 I406 W495 M579	V248-L260 HydrophobicContact CB-CD2 4.33Å; V248-L260 HydrophobicContact CG1-CD1 4.3Å; V248-L260 HydrophobicContact CG1-CD2 3.61Å; V248-L260 HydrophobicContact CG1-CG 4.23Å; V248-L260 HydrophobicContact CG2-CD1 4.03Å; V248-L260 HydrophobicContact CG2-CD2 3.75Å; V248-L260 HydrophobicContact CG2-CG 3.64Å; L260-M265 HydrophobicContact CB-CE 3.81Å; L260-M265 HydrophobicContact CB-SD 4.36Å; L260-M265 HydrophobicContact CD1-CE 3.63Å; L260-M265 HydrophobicContact CD2-CE 3.62Å; L260-M265 HydrophobicContact CG-CE 3.86Å; L260-V405 CarbonylContact O-C 3.53Å; L260-V405 VanDerWaalsContact O-CA 3.29Å; L260-V405 WeakPolarHBondContact O-CA 3.43Å; L260-V405 WeakPolarHBondContact O-CB 3.27Å; L260-I406 HydrophobicContact CB-CB 4.4Å; L260-I406 HydrophobicContact CB-CD1 3.77Å; L260-I406 HydrophobicContact CB-CG1 4.47Å; L260-I406 PolarHBondContact O-N 3.2Å; L260-W495 HydrophobicContact CD1-CB 4.1Å; L260-W495 HydrophobicContact CD1-CD2 3.79Å; L260-W495 HydrophobicContact CD1-CE3 3.69Å; L260-W495 HydrophobicContact CD1-CG 3.95Å; L260-W495 HydrophobicContact CD1-CZ3 4.45Å; L260-M579 HydrophobicContact CD2-CE 3.94Å
261	P	90.5	Very high	86.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-72.1	145.6	175.1	32.4	-34.6	0	0	0	110.5	L236 D263 M265 S404 I406 W582 F596	L236-P261 HydrophobicContact CD1-CG 4.42Å; L236-P261 HydrophobicContact CD2-CB 4.44Å; P261-D263 WeakPolarHBondContact CB-O 3.45Å; P261-M265 HydrophobicContact CG-SD 4.33Å; P261-S404 CarbonylContact C-O 3.52Å; P261-S404 WeakPolarHBondContact CA-O 3.33Å; P261-I406 WeakPolarHBondContact O-CD1 3.45Å; P261-W582 HydrophobicContact CG-CH2 4.14Å; P261-W582 HydrophobicContact CG-CZ2 3.62Å; P261-F596 HydrophobicContact CB-CD1 4.39Å; P261-F596 HydrophobicContact CB-CE1 3.46Å; P261-F596 VanDerWaalsContact CB-CE1 3.46Å; P261-F596 HydrophobicContact CB-CZ 3.54Å; P261-F596 HydrophobicContact CG-CE1 3.95Å; P261-F596 HydrophobicContact CG-CE2 4.28Å; P261-F596 HydrophobicContact CG-CZ 3.72Å
262	C	90.6	Very high	87.4	Confident	6 Å²	6	56.6 Å²	56.6	4%	0.041	27%	0.266	C	S	.	.	S	Bend	trans	-74.6	-37.1	171.2	-86.1	0	0	0	0	111.8	C337 S404 V405 I406 V485	C262-C337 HydrophobicContact CB-CB 3.98Å; C262-C337 WeakPolarHBondContact CB-SG 3.5Å; C262-C337 VanDerWaalsContact SG-CA 3.58Å; C262-C337 WeakPolarHBondContact SG-CB 3.45Å; C262-C337 CovalentContact SG-SG 2.02Å; C262-C337 PolarHBondContact SG-SG 2.92Å; C262-S404 PolarHBondContact N-O 3.48Å; C262-V405 PolarHBondContact SG-O 3.49Å; C262-I406 HydrophobicContact CB-CG1 4.39Å; C262-I406 VanDerWaalsContact SG-CA 3.58Å; C262-I406 VanDerWaalsContact SG-CG1 3.51Å; C262-I406 PolarHBondContact SG-N 2.96Å; C262-I406 VanDerWaalsContact SG-N 3.44Å; C262-V485 HydrophobicContact CB-CG2 4.39Å
263	D	87.9	Confident	87.9	Confident	33 Å²	33	55 Å²	55	18%	0.176	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	151.2	176.1	-65.7	-51.4	0	0	0	111.3	P261 M265 R269	P261-D263 WeakPolarHBondContact CB-O 3.45Å; D263-M265 PolarHBondContact O-N 3.32Å; D263-M265 VanDerWaalsContact O-N 3.16Å; D263-R269 IonicContact OD1-CZ 2.8Å; D263-R269 IonicContact OD1-NE 2.7Å; D263-R269 PolarHBondContact OD1-NE 3.22Å; D263-R269 IonicContact OD1-NH2 3.45Å; D263-R269 PolarHBondContact OD1-NH2 3.21Å; D263-R269 IonicContact OD2-CZ 3.63Å; D263-R269 IonicContact OD2-NE 2.88Å; D263-R269 IonicContact OD2-NH2 3.78Å; D263-R269 PolarHBondContact OD2-NH2 3.46Å
264	H	83.1	Confident	88.5	Confident	96 Å²	96	56.6 Å²	56.6	44%	0.444	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	28.5	178.7	-50.5	-72.9	0	0	0	114	W582 Q586 T592 F596	H264-W582 PolarHBondContact O-NE1 3.18Å; H264-Q586 PolarHBondContact O-NE2 3.3Å; H264-T592 HydrophobicContact CB-CG2 4.17Å; H264-F596 HydrophobicContact CB-CE2 4.46Å
265	M	88.9	Confident	89	Confident	13 Å²	13	51.8 Å²	51.8	6%	0.064	24%	0.239	C	C	.	.	S	Bend	trans	-73.8	-108.3	173.7	-158.9	61.4	172.5	0	0	109.5	L260 P261 D263 I406 W495 M579 W582	L260-M265 HydrophobicContact CB-CE 3.81Å; L260-M265 HydrophobicContact CB-SD 4.36Å; L260-M265 HydrophobicContact CD1-CE 3.63Å; L260-M265 HydrophobicContact CD2-CE 3.62Å; L260-M265 HydrophobicContact CG-CE 3.86Å; P261-M265 HydrophobicContact CG-SD 4.33Å; D263-M265 PolarHBondContact O-N 3.32Å; D263-M265 VanDerWaalsContact O-N 3.16Å; M265-I406 HydrophobicContact CE-CD1 4.42Å; M265-I406 HydrophobicContact CG-CD1 4.42Å; M265-W495 HydrophobicContact CE-CD2 4.5Å; M265-W495 HydrophobicContact CE-CE3 3.66Å; M265-W495 HydrophobicContact CE-CH2 3.5Å; M265-W495 VanDerWaalsContact CE-CH2 3.5Å; M265-W495 HydrophobicContact CE-CZ2 4.35Å; M265-W495 HydrophobicContact CE-CZ3 3.09Å; M265-W495 HydrophobicContact CG-CH2 3.44Å; M265-W495 VanDerWaalsContact CG-CH2 3.44Å; M265-W495 HydrophobicContact CG-CZ2 4.27Å; M265-W495 HydrophobicContact CG-CZ3 3.97Å; M265-W495 HydrophobicContact SD-CH2 4.35Å; M265-W495 HydrophobicContact SD-CZ3 4.41Å; M265-M579 HydrophobicContact CE-CE 4.4Å; M265-M579 HydrophobicContact CE-SD 4.06Å; M265-W582 PolarHBondContact O-NE1 3.06Å; M265-W582 VanDerWaalsContact O-NE1 3.09Å; M265-W582 HydrophobicContact SD-CD2 4.28Å; M265-W582 HydrophobicContact SD-CH2 4.48Å; M265-W582 HydrophobicContact SD-CZ2 3.81Å
266	F	90.2	Very high	89.4	Confident	45 Å²	45	51.8 Å²	51.8	20%	0.197	24%	0.237	C	C	.	.	S	Bend	trans	-93.2	-26.4	178.1	-65.2	-49.2	0	0	0	115.1	W495 W578 M579 W582 P620	F266-W495 AromaticContact CD2-CH2 3.93Å; F266-W495 HydrophobicContact CD2-CH2 3.93Å; F266-W495 HydrophobicContact CD2-CZ3 4.05Å; F266-W495 HydrophobicContact CE2-CE3 4.46Å; F266-W495 AromaticContact CE2-CH2 3.69Å; F266-W495 HydrophobicContact CE2-CH2 3.69Å; F266-W495 AromaticContact CE2-CZ3 3.33Å; F266-W495 HydrophobicContact CE2-CZ3 3.33Å; F266-W495 AromaticContact CZ-CZ3 3.93Å; F266-W495 HydrophobicContact CZ-CZ3 3.93Å; F266-W578 HydrophobicContact CE1-CB 3.84Å; F266-W578 HydrophobicContact CZ-CB 4.04Å; F266-M579 HydrophobicContact CE1-SD 4.4Å; F266-M579 HydrophobicContact CZ-SD 3.86Å; F266-W582 HydrophobicContact CD1-CB 4.38Å; F266-W582 HydrophobicContact CE1-CB 3.99Å; F266-W582 HydrophobicContact CE1-CG 4.42Å; F266-P620 HydrophobicContact CB-CG 3.48Å; F266-P620 VanDerWaalsContact CB-CG 3.48Å; F266-P620 HydrophobicContact CD1-CG 3.83Å; F266-P620 HydrophobicContact CD2-CG 3.97Å; F266-P620 HydrophobicContact CG-CG 3.51Å
267	F	91.4	Very high	90.1	Very high	23 Å²	23	46.7 Å²	46.7	10%	0.101	23%	0.227	C	C	.	.	S	Bend	trans	-127.3	150.9	-171.3	-56.7	-70.6	0	0	0	110.2	E271 V272 L486 P620 F622 F625	F267-E271 HydrophobicContact CB-CB 3.98Å; F267-V272 HydrophobicContact CB-CG2 4.2Å; F267-L486 HydrophobicContact CD2-CD1 4.25Å; F267-L486 HydrophobicContact CD2-CD2 3.79Å; F267-L486 HydrophobicContact CD2-CG 4.39Å; F267-L486 HydrophobicContact CE2-CD1 3.93Å; F267-L486 HydrophobicContact CE2-CD2 4.29Å; F267-P620 HydrophobicContact CE1-CG 4.37Å; F267-P620 HydrophobicContact CE2-CG 4.29Å; F267-P620 HydrophobicContact CZ-CB 3.93Å; F267-P620 HydrophobicContact CZ-CG 3.84Å; F267-F622 HydrophobicContact CD1-CB 4.26Å; F267-F622 AromaticContact CD1-CD2 3.75Å; F267-F622 HydrophobicContact CD1-CD2 3.75Å; F267-F622 HydrophobicContact CD1-CG 4.48Å; F267-F622 HydrophobicContact CE1-CB 3.75Å; F267-F622 AromaticContact CE1-CD2 3.87Å; F267-F622 HydrophobicContact CE1-CD2 3.87Å; F267-F622 HydrophobicContact CE1-CG 4.33Å; F267-F622 HydrophobicContact CG-CD2 4.36Å; F267-F625 HydrophobicContact CE2-CD2 4.27Å; F267-F625 AromaticContact CZ-CD2 3.93Å; F267-F625 HydrophobicContact CZ-CD2 3.93Å; F267-F625 HydrophobicContact CZ-CE2 4.3Å
268	S	90	Very high	90.9	Very high	52 Å²	52	47.6 Å²	47.6	36%	0.364	23%	0.228	S	C	.	.			trans	-67.8	160.1	172.6	64.8	0	0	0	0	111.3	Q270 E271 V272	S268-Q270 VanDerWaalsContact C-N 3.25Å; S268-Q270 PolarHBondContact O-N 3.29Å; S268-E271 WeakPolarHBondContact CB-OE2 3.44Å; S268-E271 PolarHBondContact N-OE2 3Å; S268-E271 WeakPolarHBondContact O-CB 3.37Å; S268-E271 PolarHBondContact O-N 2.79Å; S268-E271 VanDerWaalsContact O-N 3.14Å; S268-E271 VanDerWaalsContact OG-CG 3.31Å; S268-E271 WeakPolarHBondContact OG-CG 3.34Å; S268-E271 PolarHBondContact OG-N 2.76Å; S268-E271 PolarHBondContact OG-OE2 3.46Å; S268-V272 WeakPolarHBondContact O-CG2 3.43Å; S268-V272 PolarHBondContact O-N 3.08Å
269	R	88.6	Confident	91.5	Very high	143 Å²	143	47.4 Å²	47.4	54%	0.54	23%	0.226	S	C	.	.	H	α-helix	trans	-58.3	-37.5	176.2	-78.3	-152.5	173.1	-163.7	4.7	113.2	D263 E271 V272 E273	D263-R269 IonicContact OD1-CZ 2.8Å; D263-R269 IonicContact OD1-NE 2.7Å; D263-R269 PolarHBondContact OD1-NE 3.22Å; D263-R269 IonicContact OD1-NH2 3.45Å; D263-R269 PolarHBondContact OD1-NH2 3.21Å; D263-R269 IonicContact OD2-CZ 3.63Å; D263-R269 IonicContact OD2-NE 2.88Å; D263-R269 IonicContact OD2-NH2 3.78Å; D263-R269 PolarHBondContact OD2-NH2 3.46Å; R269-E271 PolarHBondContact O-N 3.14Å; R269-V272 PolarHBondContact O-N 3.39Å; R269-E273 WeakPolarHBondContact O-CB 3.42Å; R269-E273 WeakPolarHBondContact O-CG 3.34Å; R269-E273 PolarHBondContact O-N 2.74Å
270	Q	90.8	Very high	92	Very high	101 Å²	101	47.5 Å²	47.5	47%	0.472	23%	0.227	S	C	.	.	H	α-helix	trans	-61.4	-44.6	176.1	-67.9	178.8	-8.9	0	0	111.4	S268 E273 I274	S268-Q270 VanDerWaalsContact C-N 3.25Å; S268-Q270 PolarHBondContact O-N 3.29Å; Q270-E273 PolarHBondContact O-N 3.48Å; Q270-I274 WeakPolarHBondContact O-CD1 3.22Å; Q270-I274 VanDerWaalsContact O-CG1 3.24Å; Q270-I274 WeakPolarHBondContact O-CG1 3.22Å; Q270-I274 PolarHBondContact O-N 2.92Å
271	E	92.8	Very high	92.4	Very high	60 Å²	60	51 Å²	51	28%	0.28	25%	0.249	S	C	.	.	H	α-helix	trans	-63.4	-42.6	176.1	-76	167.5	129.8	0	0	111.9	F267 S268 R269 I274 V275 F622	F267-E271 HydrophobicContact CB-CB 3.98Å; S268-E271 WeakPolarHBondContact CB-OE2 3.44Å; S268-E271 PolarHBondContact N-OE2 3Å; S268-E271 WeakPolarHBondContact O-CB 3.37Å; S268-E271 PolarHBondContact O-N 2.79Å; S268-E271 VanDerWaalsContact O-N 3.14Å; S268-E271 VanDerWaalsContact OG-CG 3.31Å; S268-E271 WeakPolarHBondContact OG-CG 3.34Å; S268-E271 PolarHBondContact OG-N 2.76Å; S268-E271 PolarHBondContact OG-OE2 3.46Å; R269-E271 PolarHBondContact O-N 3.14Å; E271-I274 PolarHBondContact O-N 3.38Å; E271-V275 WeakPolarHBondContact O-CG2 3.31Å; E271-V275 PolarHBondContact O-N 3.26Å; E271-F622 HydrophobicContact CB-CD2 4.09Å; E271-F622 HydrophobicContact CB-CE2 3.58Å; E271-F622 HydrophobicContact CB-CZ 4.16Å; E271-F622 HydrophobicContact CG-CD2 4.3Å; E271-F622 HydrophobicContact CG-CE2 4.05Å; E271-F622 HydrophobicContact CG-CZ 4.37Å; E271-F622 WeakPolarHBondContact O-CE2 3.41Å
272	V	92.7	Very high	92.8	Very high	15 Å²	15	54 Å²	54	9%	0.091	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-44.8	175.7	174.8	0	0	0	0	111.1	F267 S268 R269 I274 V275 R276 V485 L486	F267-V272 HydrophobicContact CB-CG2 4.2Å; S268-V272 WeakPolarHBondContact O-CG2 3.43Å; S268-V272 PolarHBondContact O-N 3.08Å; R269-V272 PolarHBondContact O-N 3.39Å; V272-I274 PolarHBondContact O-N 3.39Å; V272-V275 PolarHBondContact O-N 3.27Å; V272-R276 HydrophobicContact CG1-CG 4.47Å; V272-R276 WeakPolarHBondContact O-CG 3.45Å; V272-R276 PolarHBondContact O-N 2.92Å; V272-V485 HydrophobicContact CG1-CG1 4.35Å; V272-L486 HydrophobicContact CG2-CD2 4.19Å
273	E	92.5	Very high	93.1	Very high	118 Å²	118	53.8 Å²	53.8	55%	0.551	26%	0.259	S	S	*	.	H	α-helix	trans	-61.7	-42.7	177	-75.6	176.6	175.3	0	0	112	R269 Q270 V275 R276 V277	R269-E273 WeakPolarHBondContact O-CB 3.42Å; R269-E273 WeakPolarHBondContact O-CG 3.34Å; R269-E273 PolarHBondContact O-N 2.74Å; Q270-E273 PolarHBondContact O-N 3.48Å; E273-V275 PolarHBondContact O-N 3.05Å; E273-R276 PolarHBondContact O-N 3.32Å; E273-V277 WeakPolarHBondContact O-CG2 3.47Å; E273-V277 PolarHBondContact O-N 3.03Å
274	I	94.7	Very high	93.6	Very high	95 Å²	95	56.2 Å²	56.2	49%	0.487	27%	0.274	S	S	.	.	H	α-helix	trans	-59.7	-45.8	175.1	-69.9	164.3	0	0	0	110.7	Q270 E271 V272 V277 W278 F622	Q270-I274 WeakPolarHBondContact O-CD1 3.22Å; Q270-I274 VanDerWaalsContact O-CG1 3.24Å; Q270-I274 WeakPolarHBondContact O-CG1 3.22Å; Q270-I274 PolarHBondContact O-N 2.92Å; E271-I274 PolarHBondContact O-N 3.38Å; V272-I274 PolarHBondContact O-N 3.39Å; I274-V277 PolarHBondContact O-N 3.23Å; I274-W278 VanDerWaalsContact O-CB 3.3Å; I274-W278 WeakPolarHBondContact O-CB 3.29Å; I274-W278 PolarHBondContact O-N 3.37Å; I274-F622 HydrophobicContact CB-CZ 4.48Å; I274-F622 HydrophobicContact CG2-CZ 4.2Å
275	V	95.1	Very high	94.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.4	-40.1	178.6	174	0	0	0	0	111.5	E271 V272 E273 W278 I279 L486 F622 M626 Y629	E271-V275 WeakPolarHBondContact O-CG2 3.31Å; E271-V275 PolarHBondContact O-N 3.26Å; V272-V275 PolarHBondContact O-N 3.27Å; E273-V275 PolarHBondContact O-N 3.05Å; V275-W278 WeakPolarHBondContact O-CB 3.41Å; V275-W278 PolarHBondContact O-N 2.97Å; V275-I279 HydrophobicContact CG1-CD1 3.64Å; V275-I279 HydrophobicContact CG1-CG1 4.21Å; V275-I279 VanDerWaalsContact O-CG1 3.24Å; V275-I279 WeakPolarHBondContact O-CG1 3.29Å; V275-I279 PolarHBondContact O-N 2.88Å; V275-L486 HydrophobicContact CB-CD2 4.31Å; V275-L486 HydrophobicContact CG1-CB 4.05Å; V275-L486 HydrophobicContact CG1-CD2 4.25Å; V275-L486 HydrophobicContact CG2-CD2 4.34Å; V275-F622 HydrophobicContact CG2-CD2 4.18Å; V275-F622 HydrophobicContact CG2-CE2 3.19Å; V275-F622 HydrophobicContact CG2-CZ 3.44Å; V275-F622 VanDerWaalsContact CG2-CZ 3.44Å; V275-M626 HydrophobicContact CG2-CG 3.97Å; V275-Y629 HydrophobicContact CG1-CD2 4.3Å; V275-Y629 HydrophobicContact CG1-CE2 4.35Å
276	R	94.9	Very high	94.7	Very high	21 Å²	21	54.8 Å²	54.8	8%	0.079	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-46.9	177	-75.7	177.7	178.9	172.7	0.4	112.1	V272 E273 W278 I279 G280 F329 D333 V485 L486	V272-R276 HydrophobicContact CG1-CG 4.47Å; V272-R276 WeakPolarHBondContact O-CG 3.45Å; V272-R276 PolarHBondContact O-N 2.92Å; E273-R276 PolarHBondContact O-N 3.32Å; R276-W278 VanDerWaalsContact C-N 3.3Å; R276-W278 PolarHBondContact O-N 2.64Å; R276-I279 PolarHBondContact O-N 2.83Å; R276-G280 PolarHBondContact O-N 3.36Å; R276-F329 HydrophobicContact CB-CD2 4.42Å; R276-F329 VanDerWaalsContact O-CD2 3.22Å; R276-F329 WeakPolarHBondContact O-CD2 3.27Å; R276-D333 IonicContact CZ-OD1 3.29Å; R276-D333 IonicContact CZ-OD2 3.42Å; R276-D333 IonicContact NH1-OD1 3.24Å; R276-D333 PolarHBondContact NH1-OD1 3.11Å; R276-D333 IonicContact NH1-OD2 3.53Å; R276-D333 PolarHBondContact NH1-OD2 3.41Å; R276-D333 IonicContact NH2-OD1 2.86Å; R276-D333 PolarHBondContact NH2-OD1 2.92Å; R276-V485 PolarHBondContact NE-O 3.39Å; R276-V485 PolarHBondContact NH2-O 3.37Å; R276-L486 VanDerWaalsContact CG-O 3.27Å; R276-L486 WeakPolarHBondContact CG-O 3.44Å
277	V	96.3	Very high	95	Very high	82 Å²	82	53.2 Å²	53.2	50%	0.497	26%	0.264	S	S	.	.	H	α-helix	trans	-60.8	-42.7	175.4	173.6	0	0	0	0	110.5	E273 I274 G280 V281 F329	E273-V277 WeakPolarHBondContact O-CG2 3.47Å; E273-V277 PolarHBondContact O-N 3.03Å; I274-V277 PolarHBondContact O-N 3.23Å; V277-G280 PolarHBondContact O-N 3.43Å; V277-V281 HydrophobicContact CG1-CG2 4.43Å; V277-V281 WeakPolarHBondContact O-CG2 3.4Å; V277-V281 PolarHBondContact O-N 3.46Å; V277-F329 HydrophobicContact CG2-CE2 4.17Å
278	W	97.4	Very high	95.3	Very high	83 Å²	83	55 Å²	55	31%	0.314	28%	0.283	S	S	.	.	H	α-helix	trans	-56.6	-52.6	175.1	178.6	-97.4	0	0	0	112.1	I274 V275 R276 G280 V281 W282 M626 L630	I274-W278 VanDerWaalsContact O-CB 3.3Å; I274-W278 WeakPolarHBondContact O-CB 3.29Å; I274-W278 PolarHBondContact O-N 3.37Å; V275-W278 WeakPolarHBondContact O-CB 3.41Å; V275-W278 PolarHBondContact O-N 2.97Å; R276-W278 VanDerWaalsContact C-N 3.3Å; R276-W278 PolarHBondContact O-N 2.64Å; W278-G280 VanDerWaalsContact C-N 3.34Å; W278-G280 PolarHBondContact O-N 3.2Å; W278-V281 PolarHBondContact O-N 2.89Å; W278-W282 AromaticContact CD1-CD1 4Å; W278-W282 AromaticContact CD2-CD1 3.71Å; W278-W282 AromaticContact CD2-NE1 3.58Å; W278-W282 AromaticContact CE2-CD1 3.53Å; W278-W282 AromaticContact CE2-NE1 3.29Å; W278-W282 VanDerWaalsContact CE2-NE1 3.29Å; W278-W282 AromaticContact CE3-NE1 3.77Å; W278-W282 HydrophobicContact CH2-CZ2 4.36Å; W278-W282 AromaticContact CH2-NE1 3.45Å; W278-W282 AromaticContact CZ2-CD1 3.95Å; W278-W282 AromaticContact CZ2-NE1 3.23Å; W278-W282 AromaticContact CZ3-NE1 3.71Å; W278-W282 AromaticContact NE1-CD1 3.71Å; W278-W282 AromaticContact NE1-NE1 3.93Å; W278-W282 PolarHBondContact O-N 2.95Å; W278-W282 VanDerWaalsContact O-N 3.13Å; W278-M626 HydrophobicContact CB-CE 4.2Å; W278-M626 HydrophobicContact CD2-CE 3.47Å; W278-M626 VanDerWaalsContact CD2-CE 3.47Å; W278-M626 HydrophobicContact CE3-CE 3.73Å; W278-M626 HydrophobicContact CG-CE 3.7Å; W278-M626 HydrophobicContact CZ2-CE 4.36Å; W278-M626 HydrophobicContact CZ3-CE 4.28Å; W278-M626 PolarHBondContact NE1-O 3.42Å; W278-L630 HydrophobicContact CZ2-CB 4.42Å; W278-L630 HydrophobicContact CZ2-CD1 4.21Å; W278-L630 HydrophobicContact CZ2-CD2 4.19Å
279	I	97.3	Very high	95.6	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-43.1	177.3	-66	168.4	0	0	0	110.9	V275 R276 V281 W282 S283 Y325 Y629	V275-I279 HydrophobicContact CG1-CD1 3.64Å; V275-I279 HydrophobicContact CG1-CG1 4.21Å; V275-I279 VanDerWaalsContact O-CG1 3.24Å; V275-I279 WeakPolarHBondContact O-CG1 3.29Å; V275-I279 PolarHBondContact O-N 2.88Å; R276-I279 PolarHBondContact O-N 2.83Å; I279-V281 PolarHBondContact O-N 2.86Å; I279-W282 PolarHBondContact O-N 2.87Å; I279-S283 WeakPolarHBondContact O-CB 3.35Å; I279-S283 PolarHBondContact O-N 3.42Å; I279-S283 PolarHBondContact O-OG 3.16Å; I279-Y325 HydrophobicContact CG2-CD1 3.63Å; I279-Y325 HydrophobicContact CG2-CE1 4.47Å; I279-Y325 HydrophobicContact CG2-CG 3.96Å; I279-Y629 HydrophobicContact CD1-CD1 3.91Å; I279-Y629 HydrophobicContact CD1-CD2 3.57Å; I279-Y629 HydrophobicContact CD1-CE1 4.24Å; I279-Y629 HydrophobicContact CD1-CE2 3.96Å; I279-Y629 HydrophobicContact CD1-CG 3.58Å; I279-Y629 HydrophobicContact CG1-CD1 4.42Å; I279-Y629 HydrophobicContact CG1-CD2 4.06Å; I279-Y629 HydrophobicContact CG1-CG 3.82Å
280	G	97.1	Very high	95.9	Very high	4 Å²	4	46.7 Å²	46.7	4%	0.041	25%	0.247	C	C	.	.	H	α-helix	trans	-57.7	-47.3	177.3	0	0	0	0	0	112.7	R276 V277 W278 S283 V284	R276-G280 PolarHBondContact O-N 3.36Å; V277-G280 PolarHBondContact O-N 3.43Å; W278-G280 VanDerWaalsContact C-N 3.34Å; W278-G280 PolarHBondContact O-N 3.2Å; G280-S283 WeakPolarHBondContact CA-OG 3.33Å; G280-S283 PolarHBondContact O-N 3.43Å; G280-S283 PolarHBondContact O-OG 2.89Å; G280-V284 WeakPolarHBondContact O-CG2 3.47Å; G280-V284 PolarHBondContact O-N 3.32Å; G280-V284 VanDerWaalsContact O-N 3.1Å
281	V	97.8	Very high	96	Very high	79 Å²	79	45.3 Å²	45.3	48%	0.479	24%	0.242	S	C	.	.	H	α-helix	trans	-63.2	-50.2	178.5	170.9	0	0	0	0	111.4	V277 W278 I279 S283 V284 M285	V277-V281 HydrophobicContact CG1-CG2 4.43Å; V277-V281 WeakPolarHBondContact O-CG2 3.4Å; V277-V281 PolarHBondContact O-N 3.46Å; W278-V281 PolarHBondContact O-N 2.89Å; I279-V281 PolarHBondContact O-N 2.86Å; V281-S283 VanDerWaalsContact C-N 3.31Å; V281-S283 PolarHBondContact O-N 3.24Å; V281-V284 PolarHBondContact O-N 3.13Å; V281-M285 WeakPolarHBondContact O-CG 3.19Å; V281-M285 PolarHBondContact O-N 2.79Å; V281-M285 VanDerWaalsContact O-N 3.16Å
282	W	98.2	Very high	96	Very high	64 Å²	64	45.9 Å²	45.9	24%	0.242	24%	0.244	C	C	.	.	H	α-helix	trans	-67.4	-32	-178.6	-74.2	107.1	0	0	0	112.7	W278 I279 M285 C286 L630 L633 I637	W278-W282 AromaticContact CD1-CD1 4Å; W278-W282 AromaticContact CD2-CD1 3.71Å; W278-W282 AromaticContact CD2-NE1 3.58Å; W278-W282 AromaticContact CE2-CD1 3.53Å; W278-W282 AromaticContact CE2-NE1 3.29Å; W278-W282 VanDerWaalsContact CE2-NE1 3.29Å; W278-W282 AromaticContact CE3-NE1 3.77Å; W278-W282 HydrophobicContact CH2-CZ2 4.36Å; W278-W282 AromaticContact CH2-NE1 3.45Å; W278-W282 AromaticContact CZ2-CD1 3.95Å; W278-W282 AromaticContact CZ2-NE1 3.23Å; W278-W282 AromaticContact CZ3-NE1 3.71Å; W278-W282 AromaticContact NE1-CD1 3.71Å; W278-W282 AromaticContact NE1-NE1 3.93Å; W278-W282 PolarHBondContact O-N 2.95Å; W278-W282 VanDerWaalsContact O-N 3.13Å; I279-W282 PolarHBondContact O-N 2.87Å; W282-M285 HydrophobicContact CD2-CE 3.54Å; W282-M285 HydrophobicContact CE3-CE 3.04Å; W282-M285 HydrophobicContact CG-CE 4.33Å; W282-M285 HydrophobicContact CH2-CE 3.79Å; W282-M285 HydrophobicContact CZ2-CE 4.22Å; W282-M285 HydrophobicContact CZ3-CE 3.19Å; W282-C286 VanDerWaalsContact O-CB 3.27Å; W282-C286 WeakPolarHBondContact O-CB 3.03Å; W282-C286 PolarHBondContact O-N 3.01Å; W282-L630 HydrophobicContact CD2-CD1 3.34Å; W282-L630 HydrophobicContact CE3-CD1 3.63Å; W282-L630 HydrophobicContact CG-CD1 3.85Å; W282-L630 HydrophobicContact CH2-CD1 3.95Å; W282-L630 HydrophobicContact CZ2-CD1 3.64Å; W282-L630 HydrophobicContact CZ3-CD1 3.93Å; W282-L633 HydrophobicContact CB-CB 4.37Å; W282-L633 HydrophobicContact CB-CD1 3.68Å; W282-I637 HydrophobicContact CE3-CD1 3.5Å; W282-I637 VanDerWaalsContact CE3-CD1 3.5Å; W282-I637 HydrophobicContact CZ3-CD1 3.79Å
283	S	97.9	Very high	96	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-71.1	-40.7	178	58.9	0	0	0	0	111.6	I279 G280 V281 M285 C286 A287 S322 I326	I279-S283 WeakPolarHBondContact O-CB 3.35Å; I279-S283 PolarHBondContact O-N 3.42Å; I279-S283 PolarHBondContact O-OG 3.16Å; G280-S283 WeakPolarHBondContact CA-OG 3.33Å; G280-S283 PolarHBondContact O-N 3.43Å; G280-S283 PolarHBondContact O-OG 2.89Å; V281-S283 VanDerWaalsContact C-N 3.31Å; V281-S283 PolarHBondContact O-N 3.24Å; S283-M285 PolarHBondContact O-N 3.28Å; S283-C286 PolarHBondContact O-N 2.99Å; S283-A287 WeakPolarHBondContact O-CB 3.47Å; S283-A287 PolarHBondContact O-N 3.43Å; S283-S322 WeakPolarHBondContact O-CB 3.44Å; S283-I326 WeakPolarHBondContact OG-CG1 3.37Å
284	V	97.9	Very high	95.9	Very high	84 Å²	84	41.3 Å²	41.3	51%	0.509	22%	0.224	S	C	.	.	H	α-helix	trans	-61.6	-44	173	171.8	0	0	0	0	111.6	G280 V281 C286 A287 A288 I326	G280-V284 WeakPolarHBondContact O-CG2 3.47Å; G280-V284 PolarHBondContact O-N 3.32Å; G280-V284 VanDerWaalsContact O-N 3.1Å; V281-V284 PolarHBondContact O-N 3.13Å; V284-C286 PolarHBondContact O-N 3.36Å; V284-A287 PolarHBondContact O-N 3.36Å; V284-A288 WeakPolarHBondContact O-CB 3.49Å; V284-A288 PolarHBondContact O-N 3.13Å; V284-I326 HydrophobicContact CG2-CD1 4.16Å; V284-I326 HydrophobicContact CG2-CG1 4.17Å
285	M	97.2	Very high	95.6	Very high	80 Å²	80	40.1 Å²	40.1	39%	0.394	22%	0.219	S	C	.	.	H	α-helix	trans	-64	-41	176.3	-67.8	-165.1	-52.8	0	0	112.3	V281 W282 S283 S289 I637	V281-M285 WeakPolarHBondContact O-CG 3.19Å; V281-M285 PolarHBondContact O-N 2.79Å; V281-M285 VanDerWaalsContact O-N 3.16Å; W282-M285 HydrophobicContact CD2-CE 3.54Å; W282-M285 HydrophobicContact CE3-CE 3.04Å; W282-M285 HydrophobicContact CG-CE 4.33Å; W282-M285 HydrophobicContact CH2-CE 3.79Å; W282-M285 HydrophobicContact CZ2-CE 4.22Å; W282-M285 HydrophobicContact CZ3-CE 3.19Å; S283-M285 PolarHBondContact O-N 3.28Å; M285-S289 VanDerWaalsContact O-CB 3.29Å; M285-S289 WeakPolarHBondContact O-CB 3.01Å; M285-S289 PolarHBondContact O-N 3.16Å; M285-I637 HydrophobicContact CB-CD1 4.1Å; M285-I637 HydrophobicContact CE-CD1 4.28Å
286	C	97.7	Very high	95.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-46.9	174.6	-176	0	0	0	0	111.5	W282 S283 V284 A288 S289 T290 L633 I637	W282-C286 VanDerWaalsContact O-CB 3.27Å; W282-C286 WeakPolarHBondContact O-CB 3.03Å; W282-C286 PolarHBondContact O-N 3.01Å; S283-C286 PolarHBondContact O-N 2.99Å; V284-C286 PolarHBondContact O-N 3.36Å; C286-A288 PolarHBondContact O-N 3.37Å; C286-S289 PolarHBondContact O-N 3.14Å; C286-T290 WeakPolarHBondContact O-CB 3.44Å; C286-T290 WeakPolarHBondContact O-CG2 3.38Å; C286-T290 PolarHBondContact O-N 3.48Å; C286-T290 PolarHBondContact O-OG1 3.25Å; C286-L633 HydrophobicContact CB-CB 4.28Å; C286-L633 HydrophobicContact CB-CD2 4.09Å; C286-L633 PolarHBondContact SG-O 3.49Å; C286-L633 VanDerWaalsContact SG-O 3.41Å; C286-I637 HydrophobicContact CB-CD1 4.44Å; C286-I637 HydrophobicContact CB-CG1 3.94Å
287	A	97.3	Very high	95	Very high	12 Å²	12	39.7 Å²	39.7	10%	0.099	22%	0.217	C	C	.	.	H	α-helix	trans	-58.9	-48.4	178.2	0	0	0	0	0	111.4	S283 V284 T290 L291 S322 I326	S283-A287 WeakPolarHBondContact O-CB 3.47Å; S283-A287 PolarHBondContact O-N 3.43Å; V284-A287 PolarHBondContact O-N 3.36Å; A287-T290 PolarHBondContact O-OG1 3.36Å; A287-L291 WeakPolarHBondContact O-CB 3.3Å; A287-L291 PolarHBondContact O-N 3.39Å; A287-S322 WeakPolarHBondContact CA-OG 3.46Å; A287-S322 WeakPolarHBondContact CB-OG 3.32Å; A287-S322 PolarHBondContact N-OG 3.25Å; A287-I326 HydrophobicContact CB-CD1 3.93Å
288	A	96.4	Very high	94.6	Very high	59 Å²	59	39.2 Å²	39.2	49%	0.488	21%	0.212	S	C	.	.	H	α-helix	trans	-62.5	-46.1	179.1	0	0	0	0	0	112.1	V284 C286 F292	V284-A288 WeakPolarHBondContact O-CB 3.49Å; V284-A288 PolarHBondContact O-N 3.13Å; C286-A288 PolarHBondContact O-N 3.37Å; A288-F292 WeakPolarHBondContact O-CB 3.43Å; A288-F292 PolarHBondContact O-N 2.89Å
289	S	95.8	Very high	94.1	Very high	22 Å²	22	37.4 Å²	37.4	15%	0.154	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-48.2	179.5	-177.7	0	0	0	0	112.2	M285 C286 F292 T293 I637 G640	M285-S289 VanDerWaalsContact O-CB 3.29Å; M285-S289 WeakPolarHBondContact O-CB 3.01Å; M285-S289 PolarHBondContact O-N 3.16Å; C286-S289 PolarHBondContact O-N 3.14Å; S289-F292 PolarHBondContact O-N 3.49Å; S289-T293 PolarHBondContact O-N 3.36Å; S289-T293 VanDerWaalsContact O-N 3.12Å; S289-T293 PolarHBondContact O-OG1 2.96Å; S289-I637 PolarHBondContact OG-O 2.97Å; S289-G640 VanDerWaalsContact OG-CA 3.27Å; S289-G640 WeakPolarHBondContact OG-CA 3.24Å; S289-G640 PolarHBondContact OG-N 2.92Å
290	T	95.3	Very high	93.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-70.2	-38.6	-179.4	52.8	0	0	0	0	112.4	C286 A287 F292 T293 V294 S315 F319 G636	C286-T290 WeakPolarHBondContact O-CB 3.44Å; C286-T290 WeakPolarHBondContact O-CG2 3.38Å; C286-T290 PolarHBondContact O-N 3.48Å; C286-T290 PolarHBondContact O-OG1 3.25Å; A287-T290 PolarHBondContact O-OG1 3.36Å; T290-F292 VanDerWaalsContact C-N 3.34Å; T290-F292 PolarHBondContact O-N 3.35Å; T290-T293 WeakPolarHBondContact O-CB 3.46Å; T290-T293 PolarHBondContact O-N 3.02Å; T290-V294 WeakPolarHBondContact O-CG2 3.48Å; T290-V294 PolarHBondContact O-N 2.87Å; T290-S315 WeakPolarHBondContact CB-O 3.28Å; T290-F319 WeakPolarHBondContact OG1-CA 3.42Å; T290-F319 WeakPolarHBondContact OG1-CB 3.35Å; T290-G636 WeakPolarHBondContact CG2-O 3.33Å
291	L	93.7	Very high	92.9	Very high	71 Å²	71	43.1 Å²	43.1	37%	0.372	24%	0.238	S	C	.	.	H	α-helix	trans	-60	-45.3	173.3	-179.5	60.6	0	0	0	111	A287 T293 V294 L295 F319	A287-L291 WeakPolarHBondContact O-CB 3.3Å; A287-L291 PolarHBondContact O-N 3.39Å; L291-T293 VanDerWaalsContact C-N 3.29Å; L291-T293 PolarHBondContact O-N 3.48Å; L291-V294 PolarHBondContact O-N 3.26Å; L291-L295 HydrophobicContact CD1-CD1 4.1Å; L291-L295 HydrophobicContact CD1-CG 4.02Å; L291-L295 HydrophobicContact CG-CD1 3.91Å; L291-L295 HydrophobicContact CG-CG 4.26Å; L291-L295 WeakPolarHBondContact O-CB 3.17Å; L291-L295 VanDerWaalsContact O-CG 3.27Å; L291-L295 WeakPolarHBondContact O-CG 3.49Å; L291-L295 PolarHBondContact O-N 2.87Å; L291-F319 HydrophobicContact CB-CD2 4Å; L291-F319 HydrophobicContact CB-CE2 3.81Å; L291-F319 HydrophobicContact CD1-CE2 4.06Å; L291-F319 HydrophobicContact CD1-CZ 4.11Å; L291-F319 HydrophobicContact CD2-CE2 4.4Å; L291-F319 HydrophobicContact CG-CE2 4.31Å
292	F	93	Very high	92.1	Very high	73 Å²	73	49.4 Å²	49.4	32%	0.32	25%	0.253	S	S	.	.	H	α-helix	trans	-59.9	-39.8	176.1	179.9	-116.4	0	0	0	112.1	A288 S289 T290 T296 I643 W644 T648 W652	A288-F292 WeakPolarHBondContact O-CB 3.43Å; A288-F292 PolarHBondContact O-N 2.89Å; S289-F292 PolarHBondContact O-N 3.49Å; T290-F292 VanDerWaalsContact C-N 3.34Å; T290-F292 PolarHBondContact O-N 3.35Å; F292-T296 WeakPolarHBondContact O-CB 3.36Å; F292-T296 PolarHBondContact O-N 3.02Å; F292-T296 PolarHBondContact O-OG1 2.93Å; F292-I643 HydrophobicContact CD1-CD1 3.3Å; F292-I643 HydrophobicContact CD1-CG1 4.14Å; F292-I643 HydrophobicContact CE1-CD1 3.26Å; F292-I643 HydrophobicContact CE1-CG1 4.05Å; F292-I643 HydrophobicContact CG-CD1 4.12Å; F292-I643 HydrophobicContact CZ-CD1 4.07Å; F292-W644 AromaticContact CE1-CD1 3.98Å; F292-W644 AromaticContact CE1-NE1 3.83Å; F292-T648 HydrophobicContact CZ-CG2 4.1Å; F292-W652 HydrophobicContact CD2-CZ2 4.07Å; F292-W652 AromaticContact CE2-CE2 3.76Å; F292-W652 AromaticContact CE2-CZ2 3.86Å; F292-W652 HydrophobicContact CE2-CZ2 3.86Å; F292-W652 AromaticContact CE2-NE1 3.54Å; F292-W652 AromaticContact CZ-NE1 3.88Å
293	T	92	Very high	91.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.6	-49.5	173.9	-60.3	0	0	0	0	112.5	S289 T290 L291 T296 F297 I312 S315 G640 I643	S289-T293 PolarHBondContact O-N 3.36Å; S289-T293 VanDerWaalsContact O-N 3.12Å; S289-T293 PolarHBondContact O-OG1 2.96Å; T290-T293 WeakPolarHBondContact O-CB 3.46Å; T290-T293 PolarHBondContact O-N 3.02Å; L291-T293 VanDerWaalsContact C-N 3.29Å; L291-T293 PolarHBondContact O-N 3.48Å; T293-T296 PolarHBondContact O-N 2.95Å; T293-F297 PolarHBondContact O-N 3.18Å; T293-F297 VanDerWaalsContact O-N 3.08Å; T293-I312 HydrophobicContact CG2-CD1 3.76Å; T293-S315 VanDerWaalsContact CG2-OG 3.3Å; T293-S315 WeakPolarHBondContact CG2-OG 3.49Å; T293-G640 VanDerWaalsContact OG1-CA 3.31Å; T293-G640 WeakPolarHBondContact OG1-CA 3.28Å; T293-I643 HydrophobicContact CG2-CG2 3.82Å
294	V	90.2	Very high	90.7	Very high	36 Å²	36	48.8 Å²	48.8	22%	0.218	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-45.1	179.7	173.6	0	0	0	0	110.8	T290 L291 T296 F297 L298	T290-V294 WeakPolarHBondContact O-CG2 3.48Å; T290-V294 PolarHBondContact O-N 2.87Å; L291-V294 PolarHBondContact O-N 3.26Å; V294-T296 PolarHBondContact O-N 3.48Å; V294-F297 WeakPolarHBondContact O-CB 2.92Å; V294-F297 PolarHBondContact O-N 3.03Å; V294-L298 HydrophobicContact CG1-CD1 4.37Å; V294-L298 WeakPolarHBondContact O-CG 3.23Å; V294-L298 PolarHBondContact O-N 3.45Å
295	L	89.7	Confident	90.1	Very high	71 Å²	71	50.8 Å²	50.8	37%	0.372	25%	0.249	S	C	.	.	H	α-helix	trans	-61.9	-42.8	177.3	-71	175.9	0	0	0	112.1	L291 F297 L298 V299 W652	L291-L295 HydrophobicContact CD1-CD1 4.1Å; L291-L295 HydrophobicContact CD1-CG 4.02Å; L291-L295 HydrophobicContact CG-CD1 3.91Å; L291-L295 HydrophobicContact CG-CG 4.26Å; L291-L295 WeakPolarHBondContact O-CB 3.17Å; L291-L295 VanDerWaalsContact O-CG 3.27Å; L291-L295 WeakPolarHBondContact O-CG 3.49Å; L291-L295 PolarHBondContact O-N 2.87Å; L295-F297 VanDerWaalsContact C-N 3.26Å; L295-F297 PolarHBondContact O-N 3.37Å; L295-L298 HydrophobicContact CD2-CD1 4.47Å; L295-L298 PolarHBondContact O-N 3.15Å; L295-L298 VanDerWaalsContact O-N 3.08Å; L295-V299 WeakPolarHBondContact O-CG2 3.47Å; L295-V299 PolarHBondContact O-N 3.1Å; L295-W652 HydrophobicContact CB-CH2 3.97Å; L295-W652 HydrophobicContact CB-CZ2 4Å
296	T	90.2	Very high	89.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-39.4	176.1	-61.1	0	0	0	0	111.2	F292 T293 V294 V299 D300 F304 I643 T648 W652	F292-T296 WeakPolarHBondContact O-CB 3.36Å; F292-T296 PolarHBondContact O-N 3.02Å; F292-T296 PolarHBondContact O-OG1 2.93Å; T293-T296 PolarHBondContact O-N 2.95Å; V294-T296 PolarHBondContact O-N 3.48Å; T296-V299 PolarHBondContact O-N 2.62Å; T296-D300 PolarHBondContact O-N 3.29Å; T296-D300 VanDerWaalsContact O-N 3.15Å; T296-F304 HydrophobicContact CG2-CE2 4.18Å; T296-F304 HydrophobicContact CG2-CZ 4.1Å; T296-I643 HydrophobicContact CG2-CD1 4.1Å; T296-I643 VanDerWaalsContact OG1-CD1 3.29Å; T296-I643 WeakPolarHBondContact OG1-CD1 3.48Å; T296-T648 HydrophobicContact CG2-CG2 3.78Å; T296-W652 PolarHBondContact OG1-NE1 3.03Å
297	F	87.4	Confident	89.5	Confident	11 Å²	11	48 Å²	48	5%	0.048	24%	0.236	C	C	.	.	H	α-helix	trans	-64.2	-41.9	173.1	170	-92.2	0	0	0	112.4	P24 T293 V294 L295 V299 D300 M301 F304 I312	P24-F297 HydrophobicContact CG-CE1 3.5Å; P24-F297 VanDerWaalsContact CG-CE1 3.5Å; P24-F297 HydrophobicContact CG-CE2 4.45Å; P24-F297 HydrophobicContact CG-CZ 3.31Å; T293-F297 PolarHBondContact O-N 3.18Å; T293-F297 VanDerWaalsContact O-N 3.08Å; V294-F297 WeakPolarHBondContact O-CB 2.92Å; V294-F297 PolarHBondContact O-N 3.03Å; L295-F297 VanDerWaalsContact C-N 3.26Å; L295-F297 PolarHBondContact O-N 3.37Å; F297-V299 VanDerWaalsContact C-N 3.32Å; F297-V299 PolarHBondContact O-N 3.48Å; F297-D300 CarbonylContact O-C 3.51Å; F297-D300 PolarHBondContact O-N 3.22Å; F297-M301 HydrophobicContact CD1-CG 4.39Å; F297-M301 HydrophobicContact CE1-CE 4.37Å; F297-M301 HydrophobicContact CE1-CG 3.83Å; F297-M301 HydrophobicContact CE1-SD 4.33Å; F297-M301 HydrophobicContact CE2-CB 4.31Å; F297-M301 HydrophobicContact CE2-CG 4.42Å; F297-M301 HydrophobicContact CZ-CB 4.04Å; F297-M301 HydrophobicContact CZ-CG 3.82Å; F297-M301 HydrophobicContact CZ-SD 4.44Å; F297-M301 VanDerWaalsContact O-CA 3.24Å; F297-M301 WeakPolarHBondContact O-CA 3.41Å; F297-M301 WeakPolarHBondContact O-CG 3.48Å; F297-M301 PolarHBondContact O-N 3.43Å; F297-F304 HydrophobicContact CB-CD2 4.15Å; F297-F304 HydrophobicContact CB-CE2 4.35Å; F297-F304 HydrophobicContact CD2-CB 3.73Å; F297-F304 AromaticContact CD2-CD2 3.67Å; F297-F304 HydrophobicContact CD2-CD2 3.67Å; F297-F304 HydrophobicContact CD2-CG 4Å; F297-F304 HydrophobicContact CE2-CB 4Å; F297-F304 HydrophobicContact CG-CD2 4.39Å; F297-I312 HydrophobicContact CB-CD1 4.18Å; F297-I312 HydrophobicContact CB-CG1 4.28Å; F297-I312 HydrophobicContact CB-CG2 3.68Å; F297-I312 HydrophobicContact CD1-CG2 3.95Å; F297-I312 HydrophobicContact CD2-CB 4.37Å; F297-I312 HydrophobicContact CD2-CG1 3.89Å; F297-I312 HydrophobicContact CD2-CG2 3.92Å; F297-I312 HydrophobicContact CG-CB 4.44Å; F297-I312 HydrophobicContact CG-CG1 4.26Å; F297-I312 HydrophobicContact CG-CG2 3.54Å
298	L	87	Confident	89.1	Confident	73 Å²	73	48.9 Å²	48.9	38%	0.382	24%	0.238	S	C	.	.	H	α-helix	trans	-65.8	-35.7	178.6	-66.2	178.6	0	0	0	112.3	L25 V294 L295 M301	L25-L298 HydrophobicContact CD1-CD2 4.39Å; L25-L298 HydrophobicContact CD2-CD2 4.3Å; L25-L298 HydrophobicContact CG-CD2 4.48Å; V294-L298 HydrophobicContact CG1-CD1 4.37Å; V294-L298 WeakPolarHBondContact O-CG 3.23Å; V294-L298 PolarHBondContact O-N 3.45Å; L295-L298 HydrophobicContact CD2-CD1 4.47Å; L295-L298 PolarHBondContact O-N 3.15Å; L295-L298 VanDerWaalsContact O-N 3.08Å; L298-M301 HydrophobicContact CD2-CE 3.59Å
299	V	87	Confident	88.8	Confident	45 Å²	45	47.3 Å²	47.3	27%	0.273	22%	0.22	S	C	.	.	H	α-helix	trans	-66.6	-42.8	176.1	170.3	0	0	0	0	111.4	L295 T296 F297 W652 F655	L295-V299 WeakPolarHBondContact O-CG2 3.47Å; L295-V299 PolarHBondContact O-N 3.1Å; T296-V299 PolarHBondContact O-N 2.62Å; F297-V299 VanDerWaalsContact C-N 3.32Å; F297-V299 PolarHBondContact O-N 3.48Å; V299-W652 HydrophobicContact CG2-CH2 4.39Å; V299-W652 HydrophobicContact CG2-CZ3 4.47Å; V299-F655 HydrophobicContact CG1-CB 3.77Å; V299-F655 HydrophobicContact CG1-CD2 4.08Å; V299-F655 HydrophobicContact CG1-CG 4.06Å; V299-F655 HydrophobicContact CG2-CD2 4.1Å; V299-F655 HydrophobicContact CG2-CE2 4.36Å; V299-F655 HydrophobicContact CG2-CG 4.18Å
300	D	84.4	Confident	88.6	Confident	52 Å²	52	46.3 Å²	46.3	28%	0.278	21%	0.213	S	C	.	.			trans	-134.5	78.1	178.9	-172.6	-2	0	0	0	112	T296 F297 R302 R303 F304	T296-D300 PolarHBondContact O-N 3.29Å; T296-D300 VanDerWaalsContact O-N 3.15Å; F297-D300 CarbonylContact O-C 3.51Å; F297-D300 PolarHBondContact O-N 3.22Å; D300-R302 PolarHBondContact O-N 3.49Å; D300-R302 PolarHBondContact OD1-N 2.81Å; D300-R303 HydrophobicContact CB-CB 4.3Å; D300-R303 VanDerWaalsContact CG-CB 3.47Å; D300-R303 PolarHBondContact O-N 2.71Å; D300-R303 PolarHBondContact OD1-N 3.37Å; D300-R303 VanDerWaalsContact OD1-N 3.17Å; D300-R303 WeakPolarHBondContact OD2-CB 3.22Å; D300-F304 WeakPolarHBondContact O-CD2 3.47Å
301	M	84.5	Confident	88.5	Confident	74 Å²	74	46.3 Å²	46.3	37%	0.365	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-28.3	178.9	-63.6	-175.4	-176.6	0	0	112.5	L25 F297 L298 R303 F304	L25-M301 HydrophobicContact CD1-CE 3.9Å; F297-M301 HydrophobicContact CD1-CG 4.39Å; F297-M301 HydrophobicContact CE1-CE 4.37Å; F297-M301 HydrophobicContact CE1-CG 3.83Å; F297-M301 HydrophobicContact CE1-SD 4.33Å; F297-M301 HydrophobicContact CE2-CB 4.31Å; F297-M301 HydrophobicContact CE2-CG 4.42Å; F297-M301 HydrophobicContact CZ-CB 4.04Å; F297-M301 HydrophobicContact CZ-CG 3.82Å; F297-M301 HydrophobicContact CZ-SD 4.44Å; F297-M301 VanDerWaalsContact O-CA 3.24Å; F297-M301 WeakPolarHBondContact O-CA 3.41Å; F297-M301 WeakPolarHBondContact O-CG 3.48Å; F297-M301 PolarHBondContact O-N 3.43Å; L298-M301 HydrophobicContact CD2-CE 3.59Å; M301-R303 VanDerWaalsContact C-N 3.25Å; M301-R303 PolarHBondContact O-N 3.17Å; M301-F304 PolarHBondContact O-N 3.28Å
302	R	81.4	Confident	88.4	Confident	210 Å²	210	43.5 Å²	43.5	79%	0.792	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-23.9	-174.5	-69.3	-174.9	178.2	-175.5	0.7	112.2	D300 R305	D300-R302 PolarHBondContact O-N 3.49Å; D300-R302 PolarHBondContact OD1-N 2.81Å; R302-R305 PolarHBondContact O-NE 3.49Å; R302-R305 VanDerWaalsContact O-NE 3.14Å
303	R	83.3	Confident	88.4	Confident	49 Å²	49	40.9 Å²	40.9	19%	0.185	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-37.2	177	174.5	177	172.6	-167.7	-6.9	113.4	D300 M301 R305 K647 T648	D300-R303 HydrophobicContact CB-CB 4.3Å; D300-R303 VanDerWaalsContact CG-CB 3.47Å; D300-R303 PolarHBondContact O-N 2.71Å; D300-R303 PolarHBondContact OD1-N 3.37Å; D300-R303 VanDerWaalsContact OD1-N 3.17Å; D300-R303 WeakPolarHBondContact OD2-CB 3.22Å; M301-R303 VanDerWaalsContact C-N 3.25Å; M301-R303 PolarHBondContact O-N 3.17Å; R303-R305 PolarHBondContact O-N 3.41Å; R303-K647 PolarHBondContact NH1-O 3.18Å; R303-T648 VanDerWaalsContact NH1-N 3.19Å; R303-T648 PolarHBondContact NH1-OG1 3.27Å; R303-T648 PolarHBondContact NH2-OG1 3.31Å
304	F	82.7	Confident	88.5	Confident	3 Å²	3	40.9 Å²	40.9	1%	0.013	19%	0.188	C	C	.	.			trans	-99.6	77.1	-171.8	-59.7	-74.4	0	0	0	111.8	T296 F297 D300 M301 I312 W642 I643	T296-F304 HydrophobicContact CG2-CE2 4.18Å; T296-F304 HydrophobicContact CG2-CZ 4.1Å; F297-F304 HydrophobicContact CB-CD2 4.15Å; F297-F304 HydrophobicContact CB-CE2 4.35Å; F297-F304 HydrophobicContact CD2-CB 3.73Å; F297-F304 AromaticContact CD2-CD2 3.67Å; F297-F304 HydrophobicContact CD2-CD2 3.67Å; F297-F304 HydrophobicContact CD2-CG 4Å; F297-F304 HydrophobicContact CE2-CB 4Å; F297-F304 HydrophobicContact CG-CD2 4.39Å; D300-F304 WeakPolarHBondContact O-CD2 3.47Å; M301-F304 PolarHBondContact O-N 3.28Å; F304-I312 HydrophobicContact CB-CG1 4.42Å; F304-I312 HydrophobicContact CD1-CD1 4.31Å; F304-I312 HydrophobicContact CG-CD1 4.42Å; F304-I312 HydrophobicContact CG-CG1 4.44Å; F304-W642 HydrophobicContact CD1-CH2 4.09Å; F304-W642 AromaticContact CD1-CZ3 3.93Å; F304-W642 HydrophobicContact CD1-CZ3 3.93Å; F304-W642 HydrophobicContact CE1-CH2 4.09Å; F304-W642 AromaticContact CE1-CZ3 3.62Å; F304-W642 HydrophobicContact CE1-CZ3 3.62Å; F304-I643 HydrophobicContact CE1-CG2 4.33Å; F304-I643 HydrophobicContact CZ-CG2 4.29Å
305	R	86.9	Confident	88.7	Confident	125 Å²	125	39.2 Å²	39.2	47%	0.472	18%	0.178	S	C	.	.			trans	-89.6	168.1	175.8	-56	-170.4	-167.3	169.3	-3.6	111.2	R302 R303 E308 R309 H450	R302-R305 PolarHBondContact O-NE 3.49Å; R302-R305 VanDerWaalsContact O-NE 3.14Å; R303-R305 PolarHBondContact O-N 3.41Å; R305-E308 WeakPolarHBondContact O-CB 3.21Å; R305-E308 PolarHBondContact O-N 3.35Å; R305-R309 PolarHBondContact O-N 2.94Å; R305-H450 WeakPolarHBondContact CD-CD2 3.44Å; R305-H450 PolarHBondContact NH1-NE2 3.31Å; R305-H450 VanDerWaalsContact NH1-NE2 3.12Å
306	Y	90.1	Very high	88.8	Confident	6 Å²	6	36.6 Å²	36.6	2%	0.024	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	140.2	168.9	-76.2	-79.9	0	0	0	110.1	R309 P310 T439 H450 I453 E454 S457 F460 H461	Y306-R309 HydrophobicContact CD1-CB 4.3Å; Y306-R309 HydrophobicContact CE1-CB 4.32Å; Y306-R309 HydrophobicContact CG-CB 4.43Å; Y306-P310 HydrophobicContact CD1-CG 4.39Å; Y306-P310 HydrophobicContact CE1-CG 4.13Å; Y306-T439 HydrophobicContact CD1-CG2 4.08Å; Y306-T439 HydrophobicContact CE1-CG2 4.4Å; Y306-H450 VanDerWaalsContact O-CB 3.29Å; Y306-H450 WeakPolarHBondContact O-CB 3.49Å; Y306-I453 HydrophobicContact CD1-CG2 3.84Å; Y306-I453 HydrophobicContact CG-CG2 3.83Å; Y306-E454 HydrophobicContact CD2-CB 3.98Å; Y306-E454 HydrophobicContact CD2-CG 4.23Å; Y306-E454 HydrophobicContact CE2-CG 4.49Å; Y306-S457 WeakPolarHBondContact OH-CB 3.39Å; Y306-F460 AromaticContact CE1-CD2 3.99Å; Y306-F460 HydrophobicContact CE1-CD2 3.99Å; Y306-F460 HydrophobicContact CE1-CE2 4.46Å; Y306-H461 PolarHBondContact OH-NE2 2.97Å
307	P	90.5	Very high	89.1	Confident	16 Å²	16	36.6 Å²	36.6	10%	0.104	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.4	6.9	10.2	35.4	-35.9	0	0	0	116	P310 A443 I550	P307-P310 VanDerWaalsContact O-CD 3.26Å; P307-P310 WeakPolarHBondContact O-CD 3.41Å; P307-A443 HydrophobicContact CG-CB 4.2Å; P307-I550 HydrophobicContact CB-CD1 4.36Å; P307-I550 HydrophobicContact CG-CD1 3.73Å
308	E	88.9	Confident	89.6	Confident	31 Å²	31	36.5 Å²	36.5	15%	0.145	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-29.8	-177.1	-63.3	174.5	-163.6	0	0	113.6	R305 P310 I311 L546 I550 W642	R305-E308 WeakPolarHBondContact O-CB 3.21Å; R305-E308 PolarHBondContact O-N 3.35Å; E308-P310 VanDerWaalsContact C-N 3.33Å; E308-P310 WeakPolarHBondContact O-CD 3.37Å; E308-P310 VanDerWaalsContact O-N 3.13Å; E308-I311 WeakPolarHBondContact O-CB 3.42Å; E308-I311 PolarHBondContact O-N 3.43Å; E308-L546 HydrophobicContact CG-CD1 3.77Å; E308-L546 HydrophobicContact CG-CD2 4.44Å; E308-L546 WeakPolarHBondContact OE1-CD1 3.27Å; E308-L546 VanDerWaalsContact OE1-CD2 3.29Å; E308-L546 WeakPolarHBondContact OE1-CD2 3.31Å; E308-I550 HydrophobicContact CG-CD1 4.07Å; E308-W642 HydrophobicContact CB-CH2 3.83Å; E308-W642 HydrophobicContact CB-CZ2 4.14Å; E308-W642 HydrophobicContact CG-CH2 3.89Å; E308-W642 HydrophobicContact CG-CZ2 3.85Å; E308-W642 VanDerWaalsContact OE2-CH2 3.24Å; E308-W642 WeakPolarHBondContact OE2-CH2 3.35Å
309	R	90.1	Very high	90	Very high	26 Å²	26	35.7 Å²	35.7	10%	0.098	16%	0.161	C	C	.	.	H	α-helix	trans	-49.8	-36.8	-172.9	-160.8	171.2	173.2	-173.9	-7.5	115.7	R305 Y306 I311 I312 C313 E454	R305-R309 PolarHBondContact O-N 2.94Å; Y306-R309 HydrophobicContact CD1-CB 4.3Å; Y306-R309 HydrophobicContact CE1-CB 4.32Å; Y306-R309 HydrophobicContact CG-CB 4.43Å; R309-I311 PolarHBondContact O-N 2.97Å; R309-I312 WeakPolarHBondContact O-CB 3.3Å; R309-I312 PolarHBondContact O-N 3.33Å; R309-I312 VanDerWaalsContact O-N 3.11Å; R309-C313 PolarHBondContact O-N 2.88Å; R309-E454 IonicContact NH1-OE1 3.36Å; R309-E454 PolarHBondContact NH1-OE1 3.13Å
310	P	93.4	Very high	90.4	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-56.9	-29.8	174.8	-27.6	37.9	0	0	0	114.8	Y306 P307 E308 I312 C313 L314 W432 V435 L436	Y306-P310 HydrophobicContact CD1-CG 4.39Å; Y306-P310 HydrophobicContact CE1-CG 4.13Å; P307-P310 VanDerWaalsContact O-CD 3.26Å; P307-P310 WeakPolarHBondContact O-CD 3.41Å; E308-P310 VanDerWaalsContact C-N 3.33Å; E308-P310 WeakPolarHBondContact O-CD 3.37Å; E308-P310 VanDerWaalsContact O-N 3.13Å; P310-I312 VanDerWaalsContact C-N 3.27Å; P310-I312 PolarHBondContact O-N 3.44Å; P310-C313 PolarHBondContact O-N 3.49Å; P310-L314 WeakPolarHBondContact O-CB 3.48Å; P310-L314 PolarHBondContact O-N 2.87Å; P310-W432 HydrophobicContact CB-CE3 4.01Å; P310-V435 HydrophobicContact CB-CG1 4.31Å; P310-V435 HydrophobicContact CG-CG1 3.81Å; P310-L436 HydrophobicContact CB-CB 3.98Å; P310-L436 HydrophobicContact CB-CD1 4.22Å; P310-L436 HydrophobicContact CG-CD1 4.48Å
311	I	92.3	Very high	91	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.4	-39.3	177.2	-61.3	175.6	0	0	0	110.3	E308 R309 L314 S315 L436 F553 W642	E308-I311 WeakPolarHBondContact O-CB 3.42Å; E308-I311 PolarHBondContact O-N 3.43Å; R309-I311 PolarHBondContact O-N 2.97Å; I311-L314 WeakPolarHBondContact O-CB 3.48Å; I311-L314 PolarHBondContact O-N 2.94Å; I311-S315 PolarHBondContact O-N 2.91Å; I311-S315 PolarHBondContact O-OG 3.09Å; I311-S315 VanDerWaalsContact O-OG 3.11Å; I311-L436 HydrophobicContact CD1-CD1 4.21Å; I311-L436 HydrophobicContact CD1-CD2 4.44Å; I311-L436 HydrophobicContact CG1-CD1 3.78Å; I311-L436 HydrophobicContact CG1-CD2 3.89Å; I311-L436 HydrophobicContact CG1-CG 4.49Å; I311-F553 HydrophobicContact CD1-CD1 4.04Å; I311-F553 HydrophobicContact CD1-CE1 4.47Å; I311-F553 HydrophobicContact CD1-CG 4.38Å; I311-F553 HydrophobicContact CG1-CD1 4.03Å; I311-F553 HydrophobicContact CG1-CE1 4.02Å; I311-F553 HydrophobicContact CG2-CE1 4.15Å; I311-F553 HydrophobicContact CG2-CZ 4.11Å; I311-W642 HydrophobicContact CD1-CD2 3.91Å; I311-W642 HydrophobicContact CD1-CE3 4.44Å; I311-W642 HydrophobicContact CD1-CG 4.32Å; I311-W642 HydrophobicContact CD1-CH2 4.36Å; I311-W642 HydrophobicContact CD1-CZ2 3.81Å; I311-W642 HydrophobicContact CG2-CD2 4.34Å; I311-W642 HydrophobicContact CG2-CE3 4.2Å
312	I	91.7	Very high	91.7	Very high	12 Å²	12	29.7 Å²	29.7	6%	0.062	13%	0.129	C	C	.	.	H	α-helix	trans	-68.1	-42	179.2	-52.9	-55.8	0	0	0	111.2	T293 F297 F304 R309 P310 L314 S315 G316	T293-I312 HydrophobicContact CG2-CD1 3.76Å; F297-I312 HydrophobicContact CB-CD1 4.18Å; F297-I312 HydrophobicContact CB-CG1 4.28Å; F297-I312 HydrophobicContact CB-CG2 3.68Å; F297-I312 HydrophobicContact CD1-CG2 3.95Å; F297-I312 HydrophobicContact CD2-CB 4.37Å; F297-I312 HydrophobicContact CD2-CG1 3.89Å; F297-I312 HydrophobicContact CD2-CG2 3.92Å; F297-I312 HydrophobicContact CG-CB 4.44Å; F297-I312 HydrophobicContact CG-CG1 4.26Å; F297-I312 HydrophobicContact CG-CG2 3.54Å; F304-I312 HydrophobicContact CB-CG1 4.42Å; F304-I312 HydrophobicContact CD1-CD1 4.31Å; F304-I312 HydrophobicContact CG-CD1 4.42Å; F304-I312 HydrophobicContact CG-CG1 4.44Å; R309-I312 WeakPolarHBondContact O-CB 3.3Å; R309-I312 PolarHBondContact O-N 3.33Å; R309-I312 VanDerWaalsContact O-N 3.11Å; P310-I312 VanDerWaalsContact C-N 3.27Å; P310-I312 PolarHBondContact O-N 3.44Å; I312-L314 VanDerWaalsContact C-N 3.3Å; I312-L314 PolarHBondContact O-N 3.47Å; I312-S315 PolarHBondContact O-N 3.41Å; I312-G316 PolarHBondContact O-N 3.41Å
313	C	92.6	Very high	92.4	Very high	17 Å²	17	23 Å²	23	12%	0.115	11%	0.108	C	C	.	.	H	α-helix	trans	-61.7	-41.2	175.3	-63.8	0	0	0	0	111.3	R309 P310 G316 C317 W432	R309-C313 PolarHBondContact O-N 2.88Å; P310-C313 PolarHBondContact O-N 3.49Å; C313-G316 PolarHBondContact O-N 3.39Å; C313-C317 PolarHBondContact O-N 3.1Å; C313-C317 PolarHBondContact O-SG 3.48Å; C313-W432 HydrophobicContact CB-CD2 3.44Å; C313-W432 VanDerWaalsContact CB-CD2 3.44Å; C313-W432 VanDerWaalsContact CB-CE2 3.45Å; C313-W432 HydrophobicContact CB-CE3 3.86Å; C313-W432 HydrophobicContact CB-CG 3.81Å; C313-W432 HydrophobicContact CB-CH2 4.31Å; C313-W432 HydrophobicContact CB-CZ2 3.91Å; C313-W432 HydrophobicContact CB-CZ3 4.27Å
314	L	94.3	Very high	93	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-62	-45.6	175	179.7	153.9	0	0	0	111.3	P310 I311 I312 G316 C317 Y318 W432 W433 F553 Y557 V635	P310-L314 WeakPolarHBondContact O-CB 3.48Å; P310-L314 PolarHBondContact O-N 2.87Å; I311-L314 WeakPolarHBondContact O-CB 3.48Å; I311-L314 PolarHBondContact O-N 2.94Å; I312-L314 VanDerWaalsContact C-N 3.3Å; I312-L314 PolarHBondContact O-N 3.47Å; L314-G316 VanDerWaalsContact C-N 3.3Å; L314-G316 PolarHBondContact O-N 3.43Å; L314-C317 WeakPolarHBondContact O-CB 3.3Å; L314-C317 PolarHBondContact O-N 3.44Å; L314-C317 VanDerWaalsContact O-N 3.14Å; L314-Y318 HydrophobicContact CD2-CD2 3.65Å; L314-Y318 HydrophobicContact CD2-CE2 3.72Å; L314-Y318 HydrophobicContact CG-CD2 4.06Å; L314-Y318 HydrophobicContact CG-CE2 3.89Å; L314-Y318 VanDerWaalsContact O-CD2 3.3Å; L314-Y318 WeakPolarHBondContact O-CD2 3.45Å; L314-Y318 PolarHBondContact O-N 3Å; L314-W432 HydrophobicContact CB-CB 4.35Å; L314-W433 HydrophobicContact CD1-CB 4.15Å; L314-F553 HydrophobicContact CD1-CE1 4.43Å; L314-F553 HydrophobicContact CD2-CE1 4.48Å; L314-F553 HydrophobicContact CD2-CZ 4.02Å; L314-Y557 HydrophobicContact CD1-CD2 3.91Å; L314-Y557 HydrophobicContact CD1-CE2 3.76Å; L314-V635 HydrophobicContact CD2-CG1 3.99Å
315	S	94.1	Very high	93.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.9	-40.5	173.1	-60.1	0	0	0	0	112.3	T290 T293 I311 I312 C317 Y318 F319 S639	T290-S315 WeakPolarHBondContact CB-O 3.28Å; T293-S315 VanDerWaalsContact CG2-OG 3.3Å; T293-S315 WeakPolarHBondContact CG2-OG 3.49Å; I311-S315 PolarHBondContact O-N 2.91Å; I311-S315 PolarHBondContact O-OG 3.09Å; I311-S315 VanDerWaalsContact O-OG 3.11Å; I312-S315 PolarHBondContact O-N 3.41Å; S315-C317 VanDerWaalsContact C-N 3.33Å; S315-C317 PolarHBondContact O-N 2.95Å; S315-Y318 PolarHBondContact O-N 2.97Å; S315-F319 PolarHBondContact O-N 2.96Å; S315-S639 WeakPolarHBondContact OG-CB 3.26Å; S315-S639 PolarHBondContact OG-OG 3.18Å
316	G	93.1	Very high	94.3	Very high	16 Å²	16	17.2 Å²	17.2	17%	0.165	9%	0.089	C	C	.	.	H	α-helix	trans	-60.4	-40.2	174.5	0	0	0	0	0	112.9	I312 C313 L314 F319 I320	I312-G316 PolarHBondContact O-N 3.41Å; C313-G316 PolarHBondContact O-N 3.39Å; L314-G316 VanDerWaalsContact C-N 3.3Å; L314-G316 PolarHBondContact O-N 3.43Å; G316-F319 PolarHBondContact O-N 3.45Å; G316-I320 PolarHBondContact O-N 2.91Å
317	C	96.1	Very high	94.5	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.007	10%	0.103	C	C	.	.	H	α-helix	trans	-63.4	-47.9	175.2	-59.6	0	0	0	0	111.3	C313 L314 S315 F319 I320 I321 F425	C313-C317 PolarHBondContact O-N 3.1Å; C313-C317 PolarHBondContact O-SG 3.48Å; L314-C317 WeakPolarHBondContact O-CB 3.3Å; L314-C317 PolarHBondContact O-N 3.44Å; L314-C317 VanDerWaalsContact O-N 3.14Å; S315-C317 VanDerWaalsContact C-N 3.33Å; S315-C317 PolarHBondContact O-N 2.95Å; C317-F319 VanDerWaalsContact C-N 3.3Å; C317-F319 PolarHBondContact O-N 2.95Å; C317-I320 PolarHBondContact O-N 3.2Å; C317-I321 WeakPolarHBondContact O-CG1 3.47Å; C317-I321 PolarHBondContact O-N 3.48Å; C317-F425 HydrophobicContact CB-CB 4.29Å; C317-F425 HydrophobicContact CB-CD1 4.05Å
318	Y	96.6	Very high	94.6	Very high	9 Å²	9	18.7 Å²	18.7	4%	0.035	10%	0.098	C	C	.	.	H	α-helix	trans	-67.8	-27.8	179.2	-78.6	-71.1	0	0	0	113.7	L314 S315 I321 S322 Y557 T632 V635	L314-Y318 HydrophobicContact CD2-CD2 3.65Å; L314-Y318 HydrophobicContact CD2-CE2 3.72Å; L314-Y318 HydrophobicContact CG-CD2 4.06Å; L314-Y318 HydrophobicContact CG-CE2 3.89Å; L314-Y318 VanDerWaalsContact O-CD2 3.3Å; L314-Y318 WeakPolarHBondContact O-CD2 3.45Å; L314-Y318 PolarHBondContact O-N 3Å; S315-Y318 PolarHBondContact O-N 2.97Å; Y318-I321 HydrophobicContact CD1-CD1 4Å; Y318-I321 HydrophobicContact CE1-CD1 4.17Å; Y318-S322 VanDerWaalsContact O-CB 3.29Å; Y318-S322 WeakPolarHBondContact O-CB 3.33Å; Y318-S322 PolarHBondContact O-N 3Å; Y318-S322 PolarHBondContact O-OG 3.39Å; Y318-Y557 HydrophobicContact CE2-CE2 4.37Å; Y318-T632 WeakPolarHBondContact CE1-O 3.27Å; Y318-V635 HydrophobicContact CD2-CB 4.39Å; Y318-V635 HydrophobicContact CD2-CG1 3.99Å; Y318-V635 HydrophobicContact CE1-CB 4Å; Y318-V635 HydrophobicContact CE1-CG1 4.43Å; Y318-V635 HydrophobicContact CE2-CB 3.71Å; Y318-V635 HydrophobicContact CE2-CG1 3.23Å; Y318-V635 VanDerWaalsContact CZ-CB 3.47Å; Y318-V635 VanDerWaalsContact CZ-CG1 3.5Å; Y318-V635 WeakPolarHBondContact OH-CB 3.34Å
319	F	96.1	Very high	94.9	Very high	55 Å²	55	21.3 Å²	21.3	24%	0.241	11%	0.11	C	C	.	.	H	α-helix	trans	-59.4	-50.5	169.6	179	-111.5	0	0	0	110.4	T290 L291 S315 G316 C317 I321 S322 I323	T290-F319 WeakPolarHBondContact OG1-CA 3.42Å; T290-F319 WeakPolarHBondContact OG1-CB 3.35Å; L291-F319 HydrophobicContact CB-CD2 4Å; L291-F319 HydrophobicContact CB-CE2 3.81Å; L291-F319 HydrophobicContact CD1-CE2 4.06Å; L291-F319 HydrophobicContact CD1-CZ 4.11Å; L291-F319 HydrophobicContact CD2-CE2 4.4Å; L291-F319 HydrophobicContact CG-CE2 4.31Å; S315-F319 PolarHBondContact O-N 2.96Å; G316-F319 PolarHBondContact O-N 3.45Å; C317-F319 VanDerWaalsContact C-N 3.3Å; C317-F319 PolarHBondContact O-N 2.95Å; F319-I321 PolarHBondContact O-N 3.29Å; F319-S322 PolarHBondContact O-N 3.31Å; F319-S322 PolarHBondContact O-OG 2.94Å; F319-I323 HydrophobicContact CE1-CG1 4.44Å; F319-I323 HydrophobicContact CE2-CD1 4.27Å; F319-I323 HydrophobicContact CE2-CG1 4.44Å; F319-I323 HydrophobicContact CZ-CD1 4.24Å; F319-I323 HydrophobicContact CZ-CG1 4.25Å; F319-I323 WeakPolarHBondContact O-CG1 3.21Å; F319-I323 PolarHBondContact O-N 2.61Å; F319-I323 VanDerWaalsContact O-N 3.1Å
320	I	96.4	Very high	95.1	Very high	45 Å²	45	24 Å²	24	23%	0.231	13%	0.129	C	C	.	.	H	α-helix	trans	-64.5	-43.7	178.9	-56.8	-60	0	0	0	111.9	G316 C317 S322 I323 V324 I421 F425	G316-I320 PolarHBondContact O-N 2.91Å; C317-I320 PolarHBondContact O-N 3.2Å; I320-S322 VanDerWaalsContact C-N 3.26Å; I320-S322 PolarHBondContact O-N 3.23Å; I320-I323 PolarHBondContact O-N 3.37Å; I320-I323 VanDerWaalsContact O-N 3.15Å; I320-V324 PolarHBondContact O-N 3Å; I320-V324 VanDerWaalsContact O-N 3.1Å; I320-I421 HydrophobicContact CG2-CG2 3.42Å; I320-I421 VanDerWaalsContact CG2-CG2 3.42Å; I320-F425 HydrophobicContact CB-CD1 4.44Å; I320-F425 HydrophobicContact CB-CD2 3.94Å; I320-F425 HydrophobicContact CB-CE2 4.07Å; I320-F425 HydrophobicContact CB-CG 4.15Å; I320-F425 HydrophobicContact CB-CZ 4.36Å; I320-F425 HydrophobicContact CG1-CE1 4.23Å; I320-F425 HydrophobicContact CG1-CE2 4.24Å; I320-F425 HydrophobicContact CG1-CZ 4.07Å; I320-F425 HydrophobicContact CG2-CD2 3.5Å; I320-F425 VanDerWaalsContact CG2-CD2 3.5Å; I320-F425 HydrophobicContact CG2-CE2 3.52Å; I320-F425 HydrophobicContact CG2-CG 4.21Å; I320-F425 HydrophobicContact CG2-CZ 4.21Å
321	I	96.9	Very high	94.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-56.8	-42.8	175.3	-66.5	166.1	0	0	0	110.7	C317 Y318 F319 I323 V324 Y325 F425 T632	C317-I321 WeakPolarHBondContact O-CG1 3.47Å; C317-I321 PolarHBondContact O-N 3.48Å; Y318-I321 HydrophobicContact CD1-CD1 4Å; Y318-I321 HydrophobicContact CE1-CD1 4.17Å; F319-I321 PolarHBondContact O-N 3.29Å; I321-I323 VanDerWaalsContact C-N 3.35Å; I321-I323 PolarHBondContact O-N 3.25Å; I321-V324 PolarHBondContact O-N 3.34Å; I321-Y325 HydrophobicContact CG2-CD2 3.8Å; I321-Y325 HydrophobicContact CG2-CE2 3.58Å; I321-Y325 VanDerWaalsContact O-CD2 3.29Å; I321-Y325 WeakPolarHBondContact O-CD2 3.47Å; I321-Y325 PolarHBondContact O-N 3.1Å; I321-F425 HydrophobicContact CD1-CB 4.1Å; I321-F425 HydrophobicContact CG1-CB 3.78Å; I321-T632 HydrophobicContact CG2-CG2 4.26Å
322	S	97.5	Very high	94.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.5	-37.4	178.9	72.2	0	0	0	0	112.8	S283 A287 Y318 F319 I320 V324 Y325 I326	S283-S322 WeakPolarHBondContact O-CB 3.44Å; A287-S322 WeakPolarHBondContact CA-OG 3.46Å; A287-S322 WeakPolarHBondContact CB-OG 3.32Å; A287-S322 PolarHBondContact N-OG 3.25Å; Y318-S322 VanDerWaalsContact O-CB 3.29Å; Y318-S322 WeakPolarHBondContact O-CB 3.33Å; Y318-S322 PolarHBondContact O-N 3Å; Y318-S322 PolarHBondContact O-OG 3.39Å; F319-S322 PolarHBondContact O-N 3.31Å; F319-S322 PolarHBondContact O-OG 2.94Å; I320-S322 VanDerWaalsContact C-N 3.26Å; I320-S322 PolarHBondContact O-N 3.23Å; S322-V324 VanDerWaalsContact C-N 3.35Å; S322-V324 PolarHBondContact O-N 2.87Å; S322-Y325 PolarHBondContact O-N 3.37Å; S322-I326 VanDerWaalsContact O-CG1 3.27Å; S322-I326 WeakPolarHBondContact O-CG1 3.49Å; S322-I326 PolarHBondContact O-N 3Å
323	I	96.9	Very high	94.3	Very high	70 Å²	70	35 Å²	35	36%	0.359	18%	0.176	S	C	.	.	H	α-helix	trans	-63	-41.7	174.1	-63.4	-58.3	0	0	0	110.9	F319 I320 I321 Y325 I326 V327	F319-I323 HydrophobicContact CE1-CG1 4.44Å; F319-I323 HydrophobicContact CE2-CD1 4.27Å; F319-I323 HydrophobicContact CE2-CG1 4.44Å; F319-I323 HydrophobicContact CZ-CD1 4.24Å; F319-I323 HydrophobicContact CZ-CG1 4.25Å; F319-I323 WeakPolarHBondContact O-CG1 3.21Å; F319-I323 PolarHBondContact O-N 2.61Å; F319-I323 VanDerWaalsContact O-N 3.1Å; I320-I323 PolarHBondContact O-N 3.37Å; I320-I323 VanDerWaalsContact O-N 3.15Å; I321-I323 VanDerWaalsContact C-N 3.35Å; I321-I323 PolarHBondContact O-N 3.25Å; I323-Y325 VanDerWaalsContact C-N 3.34Å; I323-Y325 PolarHBondContact O-N 2.78Å; I323-I326 HydrophobicContact CD1-CD1 4.29Å; I323-I326 PolarHBondContact O-N 3.49Å; I323-V327 HydrophobicContact CG2-CG2 4.43Å; I323-V327 WeakPolarHBondContact O-CG2 3.2Å; I323-V327 PolarHBondContact O-N 3.41Å
324	V	96.7	Very high	93.9	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.03	18%	0.178	C	C	.	.	H	α-helix	trans	-58.7	-46.1	176.8	172.6	0	0	0	0	111.3	I320 I321 S322 I326 V327 G328 L418 I421 E422 I489	I320-V324 PolarHBondContact O-N 3Å; I320-V324 VanDerWaalsContact O-N 3.1Å; I321-V324 PolarHBondContact O-N 3.34Å; S322-V324 VanDerWaalsContact C-N 3.35Å; S322-V324 PolarHBondContact O-N 2.87Å; V324-I326 PolarHBondContact O-N 3.09Å; V324-V327 PolarHBondContact O-N 2.96Å; V324-G328 PolarHBondContact O-N 3.05Å; V324-L418 HydrophobicContact CB-CD2 4.48Å; V324-L418 HydrophobicContact CG1-CB 4.09Å; V324-L418 HydrophobicContact CG1-CD2 4.1Å; V324-L418 HydrophobicContact CG2-CD2 4.15Å; V324-I421 HydrophobicContact CG2-CB 4.15Å; V324-I421 HydrophobicContact CG2-CG2 3.54Å; V324-E422 HydrophobicContact CG1-CB 4.18Å; V324-I489 HydrophobicContact CG1-CD1 3.72Å; V324-I489 HydrophobicContact CG1-CG2 4.05Å
325	Y	97.8	Very high	93.7	Very high	8 Å²	8	35.9 Å²	35.9	3%	0.031	18%	0.181	C	C	.	.	H	α-helix	trans	-67.9	-32.8	177.1	-76.1	-64.5	0	0	0	113.4	I279 I321 S322 I323 G328 F329 I489 Y629 T632 L633	I279-Y325 HydrophobicContact CG2-CD1 3.63Å; I279-Y325 HydrophobicContact CG2-CE1 4.47Å; I279-Y325 HydrophobicContact CG2-CG 3.96Å; I321-Y325 HydrophobicContact CG2-CD2 3.8Å; I321-Y325 HydrophobicContact CG2-CE2 3.58Å; I321-Y325 VanDerWaalsContact O-CD2 3.29Å; I321-Y325 WeakPolarHBondContact O-CD2 3.47Å; I321-Y325 PolarHBondContact O-N 3.1Å; S322-Y325 PolarHBondContact O-N 3.37Å; I323-Y325 VanDerWaalsContact C-N 3.34Å; I323-Y325 PolarHBondContact O-N 2.78Å; Y325-G328 PolarHBondContact O-N 2.98Å; Y325-F329 PolarHBondContact O-N 3.26Å; Y325-I489 HydrophobicContact CD1-CD1 4.29Å; Y325-I489 HydrophobicContact CE1-CD1 3.94Å; Y325-Y629 AromaticContact CE1-CD1 3.9Å; Y325-Y629 HydrophobicContact CE1-CD1 3.9Å; Y325-Y629 HydrophobicContact CE1-CE1 4.14Å; Y325-T632 HydrophobicContact CE2-CG2 3.97Å; Y325-L633 HydrophobicContact CD2-CD2 3.97Å
326	I	97.5	Very high	93.5	Very high	42 Å²	42	35.9 Å²	35.9	22%	0.215	18%	0.181	C	C	.	.	H	α-helix	trans	-63.9	-43.3	171.7	-69.9	164.4	0	0	0	110.4	S283 V284 A287 S322 I323 V324 G328 F329 V330	S283-I326 WeakPolarHBondContact OG-CG1 3.37Å; V284-I326 HydrophobicContact CG2-CD1 4.16Å; V284-I326 HydrophobicContact CG2-CG1 4.17Å; A287-I326 HydrophobicContact CB-CD1 3.93Å; S322-I326 VanDerWaalsContact O-CG1 3.27Å; S322-I326 WeakPolarHBondContact O-CG1 3.49Å; S322-I326 PolarHBondContact O-N 3Å; I323-I326 HydrophobicContact CD1-CD1 4.29Å; I323-I326 PolarHBondContact O-N 3.49Å; V324-I326 PolarHBondContact O-N 3.09Å; I326-G328 VanDerWaalsContact C-N 3.33Å; I326-G328 PolarHBondContact O-N 3.35Å; I326-F329 WeakPolarHBondContact O-CB 3.5Å; I326-F329 PolarHBondContact O-N 3.37Å; I326-V330 HydrophobicContact CG2-CG2 4.48Å; I326-V330 WeakPolarHBondContact O-CG2 3.5Å; I326-V330 PolarHBondContact O-N 2.7Å
327	V	94.9	Very high	93.3	Very high	53 Å²	53	35.3 Å²	35.3	32%	0.321	17%	0.174	S	C	.	.	H	α-helix	trans	-61.4	-43.1	175.5	172.9	0	0	0	0	110.7	I323 V324 F329 V330 S331 I335 L418	I323-V327 HydrophobicContact CG2-CG2 4.43Å; I323-V327 WeakPolarHBondContact O-CG2 3.2Å; I323-V327 PolarHBondContact O-N 3.41Å; V324-V327 PolarHBondContact O-N 2.96Å; V327-F329 PolarHBondContact O-N 3.32Å; V327-V330 PolarHBondContact O-N 3.34Å; V327-S331 WeakPolarHBondContact O-CB 3.36Å; V327-S331 PolarHBondContact O-N 2.87Å; V327-S331 PolarHBondContact O-OG 3.14Å; V327-I335 HydrophobicContact CG1-CD1 3.92Å; V327-L418 HydrophobicContact CG1-CD1 3.79Å; V327-L418 HydrophobicContact CG1-CD2 4.31Å
328	G	93	Very high	92.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.7	-46.6	173.3	0	0	0	0	0	113	V324 Y325 I326 V330 S331 R332 I489	V324-G328 PolarHBondContact O-N 3.05Å; Y325-G328 PolarHBondContact O-N 2.98Å; I326-G328 VanDerWaalsContact C-N 3.33Å; I326-G328 PolarHBondContact O-N 3.35Å; G328-V330 PolarHBondContact O-N 2.89Å; G328-S331 PolarHBondContact O-N 3.41Å; G328-R332 PolarHBondContact O-N 3.46Å; G328-R332 VanDerWaalsContact O-N 3.14Å; G328-I489 VanDerWaalsContact CA-CG2 3.48Å
329	F	94.4	Very high	91.9	Very high	86 Å²	86	44 Å²	44	38%	0.377	21%	0.207	S	C	.	.	H	α-helix	trans	-59.2	-47.4	176.9	174.3	-107.4	0	0	0	112.6	R276 V277 Y325 I326 V327	R276-F329 HydrophobicContact CB-CD2 4.42Å; R276-F329 VanDerWaalsContact O-CD2 3.22Å; R276-F329 WeakPolarHBondContact O-CD2 3.27Å; V277-F329 HydrophobicContact CG2-CE2 4.17Å; Y325-F329 PolarHBondContact O-N 3.26Å; I326-F329 WeakPolarHBondContact O-CB 3.5Å; I326-F329 PolarHBondContact O-N 3.37Å; V327-F329 PolarHBondContact O-N 3.32Å
330	V	94.1	Very high	90.7	Very high	82 Å²	82	41.6 Å²	41.6	50%	0.497	20%	0.197	S	C	.	.	H	α-helix	trans	-67.8	-39	179.9	173.6	0	0	0	0	111.6	I326 V327 G328 R332 V365	I326-V330 HydrophobicContact CG2-CG2 4.48Å; I326-V330 WeakPolarHBondContact O-CG2 3.5Å; I326-V330 PolarHBondContact O-N 2.7Å; V327-V330 PolarHBondContact O-N 3.34Å; G328-V330 PolarHBondContact O-N 2.89Å; V330-R332 VanDerWaalsContact C-N 3.29Å; V330-R332 PolarHBondContact O-N 3.48Å; V330-V365 HydrophobicContact CG1-CG1 4.23Å
331	S	88.3	Confident	89.1	Confident	21 Å²	21	40.2 Å²	40.2	15%	0.147	19%	0.194	C	C	.	.	H	α-helix	trans	-80	-9.6	-174.1	-52.1	0	0	0	0	113.6	V327 G328 D333 S334 I335	V327-S331 WeakPolarHBondContact O-CB 3.36Å; V327-S331 PolarHBondContact O-N 2.87Å; V327-S331 PolarHBondContact O-OG 3.14Å; G328-S331 PolarHBondContact O-N 3.41Å; S331-D333 PolarHBondContact O-N 3.43Å; S331-S334 WeakPolarHBondContact CB-OG 3.29Å; S331-S334 WeakPolarHBondContact O-CB 3.39Å; S331-S334 PolarHBondContact O-N 2.94Å; S331-S334 VanDerWaalsContact O-N 3.11Å; S331-S334 PolarHBondContact O-OG 3.48Å; S331-I335 WeakPolarHBondContact OG-CD1 3.48Å
332	R	88.3	Confident	87.5	Confident	182 Å²	182	41 Å²	41	69%	0.687	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	-115.2	-177.6	-59.1	178	176.3	152.2	-2.8	111.4	G328 V330 G488	G328-R332 PolarHBondContact O-N 3.46Å; G328-R332 VanDerWaalsContact O-N 3.14Å; V330-R332 VanDerWaalsContact C-N 3.29Å; V330-R332 PolarHBondContact O-N 3.48Å; R332-G488 WeakPolarHBondContact O-CA 3.32Å
333	D	85.2	Confident	85.3	Confident	42 Å²	42	45.9 Å²	45.9	23%	0.225	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-15.9	-178.2	-63.8	-67.9	0	0	0	113.7	R276 S331 I335 A336 C337	R276-D333 IonicContact CZ-OD1 3.29Å; R276-D333 IonicContact CZ-OD2 3.42Å; R276-D333 IonicContact NH1-OD1 3.24Å; R276-D333 PolarHBondContact NH1-OD1 3.11Å; R276-D333 IonicContact NH1-OD2 3.53Å; R276-D333 PolarHBondContact NH1-OD2 3.41Å; R276-D333 IonicContact NH2-OD1 2.86Å; R276-D333 PolarHBondContact NH2-OD1 2.92Å; S331-D333 PolarHBondContact O-N 3.43Å; D333-I335 PolarHBondContact O-N 2.69Å; D333-I335 VanDerWaalsContact O-N 3.1Å; D333-A336 PolarHBondContact O-N 2.92Å; D333-C337 HydrophobicContact CB-CB 4.17Å; D333-C337 WeakPolarHBondContact O-CA 3.45Å; D333-C337 WeakPolarHBondContact O-CB 3.4Å; D333-C337 PolarHBondContact O-N 2.99Å
334	S	83.4	Confident	82.9	Confident	23 Å²	23	46.6 Å²	46.6	16%	0.161	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-31.9	-164.7	59.3	0	0	0	0	114.7	S331 C337 R407	S331-S334 WeakPolarHBondContact CB-OG 3.29Å; S331-S334 WeakPolarHBondContact O-CB 3.39Å; S331-S334 PolarHBondContact O-N 2.94Å; S331-S334 VanDerWaalsContact O-N 3.11Å; S331-S334 PolarHBondContact O-OG 3.48Å; S334-C337 VanDerWaalsContact O-O 3.09Å; S334-R407 PolarHBondContact O-NH2 3.5Å
335	I	89.7	Confident	80.1	Confident	14 Å²	14	49.2 Å²	49.2	7%	0.072	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-51.1	-178.9	-63.2	-178.2	0	0	0	110.5	V327 S331 D333 C337 R407 C415 L418	V327-I335 HydrophobicContact CG1-CD1 3.92Å; S331-I335 WeakPolarHBondContact OG-CD1 3.48Å; D333-I335 PolarHBondContact O-N 2.69Å; D333-I335 VanDerWaalsContact O-N 3.1Å; I335-C337 VanDerWaalsContact C-N 3.34Å; I335-C337 PolarHBondContact O-N 3.38Å; I335-R407 WeakPolarHBondContact O-CD 3.24Å; I335-R407 PolarHBondContact O-NE 3.48Å; I335-C415 HydrophobicContact CG2-CB 4.43Å; I335-L418 HydrophobicContact CD1-CD1 3.49Å; I335-L418 VanDerWaalsContact CD1-CD1 3.49Å; I335-L418 HydrophobicContact CG2-CD1 3.93Å
336	A	91.2	Very high	77.1	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-27.5	-178.5	0	0	0	0	0	113.5	D333 R407 I489	D333-A336 PolarHBondContact O-N 2.92Å; A336-R407 PolarHBondContact O-N 2.96Å; A336-I489 WeakPolarHBondContact CB-O 3.45Å
337	C	89.2	Confident	73.9	Confident	4 Å²	4	57.1 Å²	57.1	3%	0.027	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	155.6	-172.1	-58	0	0	0	0	112.7	C262 D333 S334 I335 S404 V405 R407	C262-C337 HydrophobicContact CB-CB 3.98Å; C262-C337 WeakPolarHBondContact CB-SG 3.5Å; C262-C337 VanDerWaalsContact SG-CA 3.58Å; C262-C337 WeakPolarHBondContact SG-CB 3.45Å; C262-C337 CovalentContact SG-SG 2.02Å; C262-C337 PolarHBondContact SG-SG 2.92Å; D333-C337 HydrophobicContact CB-CB 4.17Å; D333-C337 WeakPolarHBondContact O-CA 3.45Å; D333-C337 WeakPolarHBondContact O-CB 3.4Å; D333-C337 PolarHBondContact O-N 2.99Å; S334-C337 VanDerWaalsContact O-O 3.09Å; I335-C337 VanDerWaalsContact C-N 3.34Å; I335-C337 PolarHBondContact O-N 3.38Å; C337-S404 WeakPolarHBondContact CB-OG 3.42Å; C337-V405 CarbonylContact C-O 3.54Å; C337-V405 VanDerWaalsContact CA-O 3.32Å; C337-V405 WeakPolarHBondContact CA-O 3.27Å; C337-R407 PolarHBondContact O-NE 3Å; C337-R407 VanDerWaalsContact O-NE 3.14Å; C337-R407 PolarHBondContact O-NH2 3.22Å; C337-R407 VanDerWaalsContact O-NH2 3.11Å
338	R	83.1	Confident	70.8	Confident	45 Å²	45	59.9 Å²	59.9	17%	0.17	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.8	170.8	-179.7	-178.8	-177.7	170.1	4.9	108.3	V405 R407	R338-V405 HydrophobicContact CB-CG2 4.36Å; R338-V405 PolarHBondContact N-O 2.94Å; R338-V405 WeakPolarHBondContact O-CG2 3.21Å; R338-V405 PolarHBondContact O-N 3.37Å; R338-R407 HydrophobicContact CB-CG 4.14Å
339	R	78.7	Confident	67.7	Low	148 Å²	148	64.5 Å²	64.5	56%	0.558	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	135.9	174	-64	-175.4	-175.5	-170.7	3.2	110.3	I402	R339-I402 HydrophobicContact CB-CG2 3.95Å; R339-I402 HydrophobicContact CG-CG2 4.34Å
340	L	71.5	Confident	64.7	Low	4 Å²	4	68.1 Å²	68.1	2%	0.021	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.3	173.2	-62.4	178.6	0	0	0	109	V54 L238 F342 V356 I402 I403 V405	V54-L340 HydrophobicContact CG2-CD1 4.36Å; L238-L340 HydrophobicContact CD2-CD1 4.35Å; L340-F342 HydrophobicContact CB-CE2 3.71Å; L340-F342 HydrophobicContact CB-CZ 4.22Å; L340-F342 HydrophobicContact CD1-CZ 4.44Å; L340-V356 HydrophobicContact CB-CG1 4.05Å; L340-V356 HydrophobicContact CD2-CG1 3.85Å; L340-I402 CarbonylContact O-C 3.52Å; L340-I402 WeakPolarHBondContact O-CA 3.39Å; L340-I403 PolarHBondContact N-O 3.03Å; L340-I403 PolarHBondContact O-N 3.13Å; L340-V405 HydrophobicContact CD1-CB 4.39Å; L340-V405 HydrophobicContact CD1-CG1 3.92Å; L340-V405 HydrophobicContact CD1-CG2 3.59Å; L340-V405 HydrophobicContact CG-CG1 4.46Å; L340-V405 HydrophobicContact CG-CG2 3.85Å
341	G	63	Low	61.9	Low	16 Å²	16	67.6 Å²	67.6	17%	0.165	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136.5	173.2	0	0	0	0	0	111.7	V356 I401	G341-V356 WeakPolarHBondContact O-CG2 3.32Å; G341-I401 CarbonylContact C-O 3.49Å
342	F	62.8	Low	59.2	Low	15 Å²	15	72.9 Å²	72.9	7%	0.066	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.9	177.5	-65.8	-96.5	0	0	0	108.9	V54 R235 L340 I401 I403	V54-F342 HydrophobicContact CB-CE1 4.03Å; V54-F342 HydrophobicContact CG1-CD1 4.29Å; V54-F342 HydrophobicContact CG1-CE1 3.52Å; V54-F342 HydrophobicContact CG1-CZ 4.27Å; V54-F342 HydrophobicContact CG2-CE1 4.28Å; V54-F342 HydrophobicContact CG2-CZ 4.29Å; R235-F342 HydrophobicContact CB-CD1 3.82Å; R235-F342 HydrophobicContact CB-CE1 3.81Å; R235-F342 HydrophobicContact CB-CG 4.21Å; R235-F342 HydrophobicContact CB-CZ 4.25Å; R235-F342 HydrophobicContact CG-CD1 4Å; R235-F342 HydrophobicContact CG-CE1 4.45Å; R235-F342 HydrophobicContact CG-CG 4.34Å; R235-F342 WeakPolarHBondContact O-CE1 3.28Å; R235-F342 WeakPolarHBondContact O-CZ 3.21Å; L340-F342 HydrophobicContact CB-CE2 3.71Å; L340-F342 HydrophobicContact CB-CZ 4.22Å; L340-F342 HydrophobicContact CD1-CZ 4.44Å; F342-I401 HydrophobicContact CB-CB 4.32Å; F342-I401 PolarHBondContact N-O 2.9Å; F342-I401 PolarHBondContact O-N 3.37Å; F342-I403 HydrophobicContact CD2-CB 4.19Å; F342-I403 HydrophobicContact CD2-CD1 3.68Å; F342-I403 HydrophobicContact CD2-CG1 3.81Å; F342-I403 HydrophobicContact CE2-CB 3.86Å; F342-I403 HydrophobicContact CE2-CD1 3.69Å; F342-I403 HydrophobicContact CE2-CG1 3.91Å; F342-I403 HydrophobicContact CG-CD1 4.44Å; F342-I403 HydrophobicContact CZ-CD1 4.42Å
343	H	51.1	Low	56.6	Low	104 Å²	104	65.5 Å²	65.5	48%	0.481	39%	0.389	S	S	.	.			trans	-106.4	124.2	169.1	-72.5	-92	0	0	0	108	A345 V354	H343-A345 PolarHBondContact O-N 3.29Å; H343-V354 HydrophobicContact CB-CG1 4.07Å; H343-V354 HydrophobicContact CB-CG2 4.1Å
344	D	46.8	Very low	54.1	Low	85 Å²	85	65.3 Å²	65.3	46%	0.455	39%	0.389	S	S	.	.			trans	-72.8	115.4	173.7	-78.2	-26.3	0	0	0	108.8	R235 S346	R235-D344 IonicContact CZ-OD1 3.36Å; R235-D344 IonicContact CZ-OD2 3.78Å; R235-D344 IonicContact NE-OD1 3.52Å; R235-D344 PolarHBondContact NE-OD1 2.87Å; R235-D344 IonicContact NH2-OD1 2.77Å; R235-D344 PolarHBondContact NH2-OD1 3.26Å; R235-D344 IonicContact NH2-OD2 2.72Å; R235-D344 PolarHBondContact NH2-OD2 3.1Å; D344-S346 PolarHBondContact O-N 3.36Å
345	A	38.2	Very low	51.8	Low	59 Å²	59	66.9 Å²	66.9	49%	0.488	40%	0.395	S	S	.	.			trans	-74.4	24.1	178.3	0	0	0	0	0	113.9	H343 T347	H343-A345 PolarHBondContact O-N 3.29Å; A345-T347 PolarHBondContact O-N 2.97Å
346	S	34.1	Very low	49.4	Very low	89 Å²	89	66.5 Å²	66.5	62%	0.622	39%	0.393	S	S	*	.			trans	-103.2	60.8	-173.8	59.1	0	0	0	0	112.6	D344	D344-S346 PolarHBondContact O-N 3.36Å
347	T	30.9	Very low	46.7	Very low	128 Å²	128	69.2 Å²	69.2	79%	0.785	42%	0.421	S	S	*	.	S	Bend	trans	-162.5	2.3	154.2	1.3	0	0	0	0	116.6	A345	A345-T347 PolarHBondContact O-N 2.97Å
348	T	29.7	Very low	44	Very low	110 Å²	110	74.1 Å²	74.1	68%	0.675	44%	0.439	S	S	*	.	S	Bend	trans	-143.1	116.8	171	33.6	0	0	0	0	110.1	N350	T348-N350 PolarHBondContact O-N 3.23Å
349	A	28.6	Very low	41.9	Very low	97 Å²	97	76.9 Å²	76.9	80%	0.802	46%	0.456	S	S	*	.	S	Bend	trans	-53.7	121.1	165.4	0	0	0	0	0	108.2
350	N	30.3	Very low	39.7	Very low	162 Å²	162	73.9 Å²	73.9	87%	0.866	45%	0.451	S	S	*	.			trans	102.9	76.3	-177.2	-52.1	-19.9	0	0	0	115	T348	T348-N350 PolarHBondContact O-N 3.23Å
351	A	35.4	Very low	38.2	Very low	71 Å²	71	75.6 Å²	75.6	59%	0.587	46%	0.463	S	S	*	.			trans	-147.9	105.3	158.8	0	0	0	0	0	110.6
352	N	31.2	Very low	37.1	Very low	132 Å²	132	79.5 Å²	79.5	71%	0.706	48%	0.483	S	S	*	.			trans	-83	133.9	171.1	-71.6	-38.1	0	0	0	109.2
353	A	33.6	Very low	36.1	Very low	28 Å²	28	86.5 Å²	86.5	23%	0.231	52%	0.516	C	S	.	.			trans	54.9	97.7	163.8	0	0	0	0	0	118.2	L355	A353-L355 PolarHBondContact O-N 2.99Å
354	V	33.6	Very low	35.4	Very low	37 Å²	37	87.1 Å²	87.1	22%	0.224	52%	0.523	C	S	.	.			trans	-70.5	117.3	170.3	177.9	0	0	0	0	110.5	V53 H343	V53-V354 WeakPolarHBondContact CG1-O 3.31Å; H343-V354 HydrophobicContact CB-CG1 4.07Å; H343-V354 HydrophobicContact CB-CG2 4.1Å
355	L	36.1	Very low	35.2	Very low	56 Å²	56	86.5 Å²	86.5	29%	0.293	52%	0.522	S	S	.	.			trans	-91.4	119.8	177.3	-148	113.5	0	0	0	110.8	V53 D81 A353 G357	V53-L355 HydrophobicContact CG2-CD1 3.85Å; V53-L355 HydrophobicContact CG2-CG 4.14Å; D81-L355 VanDerWaalsContact CA-CD2 3.47Å; D81-L355 HydrophobicContact CB-CD1 4.38Å; D81-L355 HydrophobicContact CB-CD2 3.49Å; D81-L355 VanDerWaalsContact CB-CD2 3.49Å; A353-L355 PolarHBondContact O-N 2.99Å; L355-G357 PolarHBondContact O-N 3.31Å
356	V	37.5	Very low	35.2	Very low	6 Å²	6	91.7 Å²	91.7	4%	0.036	54%	0.538	C	S	.	.			trans	-88.4	100.5	-177.3	-176.7	0	0	0	0	110.5	V54 L340 G341	V54-V356 HydrophobicContact CB-CG2 4.08Å; V54-V356 HydrophobicContact CG2-CG2 4.02Å; L340-V356 HydrophobicContact CB-CG1 4.05Å; L340-V356 HydrophobicContact CD2-CG1 3.85Å; G341-V356 WeakPolarHBondContact O-CG2 3.32Å
357	G	34.8	Very low	35.5	Very low	57 Å²	57	91.2 Å²	91.2	59%	0.588	54%	0.54	S	S	*	.			trans	-62.2	132.9	173.2	0	0	0	0	0	112.9	L355 I359	L355-G357 PolarHBondContact O-N 3.31Å; G357-I359 PolarHBondContact O-N 3.5Å
358	R	34.2	Very low	35.8	Very low	107 Å²	107	91.3 Å²	91.3	40%	0.404	54%	0.536	S	S	.	.			trans	-71.9	116.2	173.8	-171.9	-178.7	-163.8	129.6	0.8	109.8	D48 D360	D48-R358 VanDerWaalsContact CG-NH1 3.31Å; D48-R358 IonicContact OD1-CZ 2.71Å; D48-R358 IonicContact OD1-NH1 2.99Å; D48-R358 PolarHBondContact OD1-NH1 3.49Å; D48-R358 IonicContact OD1-NH2 3.61Å; D48-R358 PolarHBondContact OD1-NH2 3.4Å; D48-R358 IonicContact OD2-CZ 3.11Å; D48-R358 IonicContact OD2-NH1 3.11Å; D48-R358 PolarHBondContact OD2-NH1 3.03Å; D48-R358 IonicContact OD2-NH2 2.7Å; D48-R358 PolarHBondContact OD2-NH2 3.36Å; R358-D360 VanDerWaalsContact CD-OD1 3.29Å; R358-D360 WeakPolarHBondContact CD-OD1 3.49Å; R358-D360 WeakPolarHBondContact CD-OD2 3.08Å; R358-D360 WeakPolarHBondContact CG-OD1 3.31Å; R358-D360 IonicContact CZ-OD1 2.81Å; R358-D360 IonicContact NE-OD1 2.95Å; R358-D360 PolarHBondContact NE-OD1 3.1Å; R358-D360 IonicContact NE-OD2 2.76Å; R358-D360 IonicContact NH2-OD1 2.99Å
359	I	38	Very low	35.8	Very low	103 Å²	103	96 Å²	96	53%	0.528	54%	0.541	S	S	.	.			trans	-94.3	97.3	159.5	-56.4	174.3	0	0	0	105.9	G357 P361	G357-I359 PolarHBondContact O-N 3.5Å; I359-P361 VanDerWaalsContact O-CD 3.27Å; I359-P361 WeakPolarHBondContact O-CD 3.42Å
360	D	32.2	Very low	36.2	Very low	85 Å²	85	96.7 Å²	96.7	46%	0.455	54%	0.537	S	S	.	.			trans	-66.3	118.2	175.4	-75.5	-52.2	0	0	0	109.9	R358 V362	R358-D360 VanDerWaalsContact CD-OD1 3.29Å; R358-D360 WeakPolarHBondContact CD-OD1 3.49Å; R358-D360 WeakPolarHBondContact CD-OD2 3.08Å; R358-D360 WeakPolarHBondContact CG-OD1 3.31Å; R358-D360 IonicContact CZ-OD1 2.81Å; R358-D360 IonicContact NE-OD1 2.95Å; R358-D360 PolarHBondContact NE-OD1 3.1Å; R358-D360 IonicContact NE-OD2 2.76Å; R358-D360 IonicContact NH2-OD1 2.99Å; D360-V362 VanDerWaalsContact C-N 3.28Å; D360-V362 PolarHBondContact O-N 3.42Å
361	P	40	Very low	36.6	Very low	40 Å²	40	95.4 Å²	95.4	26%	0.26	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	14.9	179.6	14.4	1.4	0	0	0	113.5	I359	I359-P361 VanDerWaalsContact O-CD 3.27Å; I359-P361 WeakPolarHBondContact O-CD 3.42Å
362	V	40.7	Very low	36.5	Very low	98 Å²	98	96.6 Å²	96.6	59%	0.594	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-17.7	-171.4	-172.4	0	0	0	0	112.9	D360	D360-V362 VanDerWaalsContact C-N 3.28Å; D360-V362 PolarHBondContact O-N 3.42Å
363	E	40.9	Very low	36.7	Very low	162 Å²	162	98.8 Å²	98.8	76%	0.757	55%	0.545	S	S	*	.	S	Bend	trans	-89.3	-20.4	-178.9	-69.6	-174.9	146.7	0	0	114.2	V365	E363-V365 PolarHBondContact O-N 3.16Å
364	D	36.2	Very low	36.7	Very low	118 Å²	118	102.3 Å²	102.3	63%	0.631	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-14.9	-177	-79.6	-25.6	0	0	0	114.9
365	V	43.4	Very low	36.8	Very low	72 Å²	72	105.2 Å²	105.2	44%	0.436	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.4	-18.1	-175.7	-178.9	0	0	0	0	112.6	V330 E363	V330-V365 HydrophobicContact CG1-CG1 4.23Å; E363-V365 PolarHBondContact O-N 3.16Å
366	M	37.5	Very low	36.8	Very low	168 Å²	168	107.7 Å²	107.7	83%	0.828	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-18.1	176.3	-61.5	-166.9	-166.3	0	0	113.6
367	A	41.9	Very low	36.6	Very low	78 Å²	78	112.2 Å²	112.2	65%	0.645	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-15.4	-179.2	0	0	0	0	0	114.5
368	N	36	Very low	36.6	Very low	131 Å²	131	114.6 Å²	114.6	70%	0.701	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	32.3	-172.4	-77.7	-27.9	0	0	0	114.5	P370	N368-P370 VanDerWaalsContact O-CD 3.29Å; N368-P370 WeakPolarHBondContact O-CD 3.25Å
369	W	30.5	Very low	36.7	Very low	208 Å²	208	114.7 Å²	114.7	79%	0.788	67%	0.669	S	S	*	*			trans	-75	116.5	170.3	-151.3	-74.4	0	0	0	110.1	T371	W369-T371 PolarHBondContact O-N 3.48Å
370	P	36.2	Very low	36.4	Very low	112 Å²	112	114.8 Å²	114.8	73%	0.727	68%	0.678	S	S	*	*			trans	-74	105.3	177.3	29.3	-29.2	0	0	0	108.4	N368 S372	N368-P370 VanDerWaalsContact O-CD 3.29Å; N368-P370 WeakPolarHBondContact O-CD 3.25Å; P370-S372 PolarHBondContact O-N 3.18Å
371	T	38.7	Very low	36.7	Very low	134 Å²	134	116.8 Å²	116.8	82%	0.822	70%	0.699	S	S	*	*			trans	-80.2	103.8	161.1	43.1	0	0	0	0	107.2	W369	W369-T371 PolarHBondContact O-N 3.48Å
372	S	33.7	Very low	36.3	Very low	97 Å²	97	120.4 Å²	120.4	68%	0.678	73%	0.726	S	S	*	*			trans	-63.2	129.1	172.2	52.6	0	0	0	0	110.9	P370	P370-S372 PolarHBondContact O-N 3.18Å
373	H	34.8	Very low	36	Very low	177 Å²	177	121.3 Å²	121.3	82%	0.819	74%	0.736	S	S	*	*			trans	-173.4	121.2	134.5	-97.8	-64.3	0	0	0	111.3
374	S	35	Very low	35.8	Very low	103 Å²	103	118.6 Å²	118.6	72%	0.72	74%	0.735	S	S	*	*			trans	52.7	135.2	145.6	56	0	0	0	0	119.1
375	S	35.6	Very low	35.3	Very low	97 Å²	97	122.6 Å²	122.6	68%	0.678	75%	0.747	S	S	*	*			cis	173.2	147.1	17.7	31.3	0	0	0	0	107.2
376	S	34.3	Very low	34.8	Very low	109 Å²	109	127.3 Å²	127.3	76%	0.762	77%	0.769	S	S	*	*			trans	55	136.7	151.2	52.5	0	0	0	0	118.7
377	S	35.1	Very low	34.3	Very low	100 Å²	100	124.1 Å²	124.1	70%	0.699	76%	0.763	S	S	*	*			cis	177.3	148.7	26	35.2	0	0	0	0	108.3
378	S	33.8	Very low	34	Very low	107 Å²	107	126.5 Å²	126.5	75%	0.748	78%	0.775	S	S	*	*			trans	47.3	133.4	144.8	59.5	0	0	0	0	119.4
379	S	35.7	Very low	33.8	Very low	110 Å²	110	125.5 Å²	125.5	77%	0.769	78%	0.779	S	S	*	*			cis	-174.9	147	41.8	37.9	0	0	0	0	111.5
380	S	33.1	Very low	33.8	Very low	104 Å²	104	120 Å²	120	73%	0.727	77%	0.772	S	S	*	*			trans	-35.5	148.8	163.2	43.9	0	0	0	0	119.2
381	S	36.6	Very low	33.7	Very low	128 Å²	128	121.8 Å²	121.8	90%	0.895	78%	0.775	S	S	*	*				-167	134.2	126.4	-77	0	0	0	0	112.1
382	S	32.3	Very low	33.1	Very low	116 Å²	116	119.5 Å²	119.5	81%	0.811	78%	0.778	S	S	*	*			trans	-109.9	146.6	-173.4	-47.2	0	0	0	0	111.2
383	S	35.5	Very low	33	Very low	116 Å²	116	121.5 Å²	121.5	81%	0.811	79%	0.786	S	S	*	*			trans	170.6	145.5	155.9	49.4	0	0	0	0	108.9
384	S	35	Very low	33	Very low	106 Å²	106	118.1 Å²	118.1	74%	0.741	78%	0.782	S	S	*	*			cis	-179.2	142.6	-18.1	41.1	0	0	0	0	105.4
385	F	26.2	Very low	32.9	Very low	201 Å²	201	118.7 Å²	118.7	88%	0.882	78%	0.783	S	S	*	*			trans	-3.1	140.1	161	-67.8	-91.2	0	0	0	120.4
386	L	32.7	Very low	32.8	Very low	171 Å²	171	121.9 Å²	121.9	90%	0.895	79%	0.793	S	S	*	*				-170.6	137.3	112	-95.2	161	0	0	0	112
387	S	28.3	Very low	33.1	Very low	101 Å²	101	123.7 Å²	123.7	71%	0.706	79%	0.793	S	S	*	*			trans	-73.3	145	-178.9	49.1	0	0	0	0	114.2
388	S	33.9	Very low	33.7	Very low	128 Å²	128	126.4 Å²	126.4	90%	0.895	80%	0.8	S	S	*	*			trans	-153	138.8	148.2	-82.2	0	0	0	0	111.4
389	S	32.5	Very low	34.6	Very low	111 Å²	111	129.3 Å²	129.3	78%	0.776	80%	0.802	S	S	*	*			trans	-81.8	173.1	-169.8	-157.9	0	0	0	0	112.6
390	S	30.8	Very low	35.8	Very low	91 Å²	91	126.4 Å²	126.4	64%	0.636	78%	0.78	S	S	*	*			trans	72.1	102.3	157.9	52.9	0	0	0	0	119.3
391	N	33.3	Very low	37.5	Very low	151 Å²	151	123.6 Å²	123.6	81%	0.807	76%	0.757	S	S	*	*				165.1	136.2	104.5	-80.2	-29.3	0	0	0	110.9
392	G	26	Very low	39.4	Very low	86 Å²	86	121.5 Å²	121.5	89%	0.887	73%	0.734	S	S	*	*			trans	-62.5	136.8	-173.5	0	0	0	0	0	113.6
393	V	31.9	Very low	41.6	Very low	138 Å²	138	116.3 Å²	116.3	84%	0.836	70%	0.698	S	S	*	*			trans	-130.7	120.7	172.6	177.1	0	0	0	0	107.6
394	S	34.4	Very low	44	Very low	106 Å²	106	111.5 Å²	111.5	74%	0.741	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-61.9	143.2	173.7	-72.2	0	0	0	0	110.9
395	P	33.7	Very low	46.4	Very low	115 Å²	115	106.7 Å²	106.7	75%	0.747	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-73.2	136.7	175.5	30.7	-30.3	0	0	0	110.1	L397	P395-L397 PolarHBondContact O-N 2.96Å
396	N	33.3	Very low	49.5	Very low	164 Å²	164	97.2 Å²	97.2	88%	0.877	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-49	122.9	177	-74.8	-57.8	0	0	0	112.2
397	L	40.9	Very low	52	Low	147 Å²	147	90.9 Å²	90.9	77%	0.77	55%	0.553	S	S	*	*	S	Bend	trans	-78.9	107.9	162.4	-84.6	82.2	0	0	0	107	P395	P395-L397 PolarHBondContact O-N 2.96Å
398	D	47.1	Very low	54.6	Low	157 Å²	157	86.6 Å²	86.6	84%	0.84	52%	0.522	S	S	*	.			trans	179.6	8.4	158.7	-89	-24.2	0	0	0	113.7
399	E	52.2	Low	56.3	Low	168 Å²	168	81 Å²	81	79%	0.785	48%	0.484	S	S	*	.			trans	-84.4	129.9	177.3	-162.7	168.1	172.5	0	0	111.5	I401	E399-I401 PolarHBondContact O-N 3.25Å
400	P	61.5	Low	58	Low	49 Å²	49	76.6 Å²	76.6	32%	0.318	45%	0.454	S	S	.	.			trans	-59.9	137.6	176.7	19	-28.8	0	0	0	111.9	I402	P400-I402 PolarHBondContact O-N 3.26Å; P400-I402 VanDerWaalsContact O-N 3.17Å
401	I	69	Low	59.7	Low	46 Å²	46	75.1 Å²	75.1	24%	0.236	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	105.7	175.7	-60.4	175.6	0	0	0	108	R235 G341 F342 E399 I403 L595	R235-I401 VanDerWaalsContact NH1-CD1 3.33Å; R235-I401 VanDerWaalsContact NH2-CD1 3.35Å; G341-I401 CarbonylContact C-O 3.49Å; F342-I401 HydrophobicContact CB-CB 4.32Å; F342-I401 PolarHBondContact N-O 2.9Å; F342-I401 PolarHBondContact O-N 3.37Å; E399-I401 PolarHBondContact O-N 3.25Å; I401-I403 HydrophobicContact CG2-CD1 4.47Å; I401-I403 HydrophobicContact CG2-CG1 4.13Å; I401-L595 HydrophobicContact CG2-CD1 3.87Å
402	I	75.9	Confident	61.8	Low	83 Å²	83	69 Å²	69	43%	0.426	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.1	178.2	-57.3	173.7	0	0	0	109.8	R339 L340 P400	R339-I402 HydrophobicContact CB-CG2 3.95Å; R339-I402 HydrophobicContact CG-CG2 4.34Å; L340-I402 CarbonylContact O-C 3.52Å; L340-I402 WeakPolarHBondContact O-CA 3.39Å; P400-I402 PolarHBondContact O-N 3.26Å; P400-I402 VanDerWaalsContact O-N 3.17Å
403	I	79.2	Confident	64.4	Low	7 Å²	7	67.8 Å²	67.8	4%	0.036	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.6	175.4	-54.1	179.5	0	0	0	109	R235 L236 L340 F342 I401 V405 F596	R235-I403 HydrophobicContact CB-CD1 3.75Å; L236-I403 HydrophobicContact CD2-CG2 4.3Å; L340-I403 PolarHBondContact N-O 3.03Å; L340-I403 PolarHBondContact O-N 3.13Å; F342-I403 HydrophobicContact CD2-CB 4.19Å; F342-I403 HydrophobicContact CD2-CD1 3.68Å; F342-I403 HydrophobicContact CD2-CG1 3.81Å; F342-I403 HydrophobicContact CE2-CB 3.86Å; F342-I403 HydrophobicContact CE2-CD1 3.69Å; F342-I403 HydrophobicContact CE2-CG1 3.91Å; F342-I403 HydrophobicContact CG-CD1 4.44Å; F342-I403 HydrophobicContact CZ-CD1 4.42Å; I401-I403 HydrophobicContact CG2-CD1 4.47Å; I401-I403 HydrophobicContact CG2-CG1 4.13Å; I403-V405 HydrophobicContact CG2-CG1 4.02Å; I403-F596 HydrophobicContact CD1-CD1 4.21Å; I403-F596 HydrophobicContact CG2-CD1 4.26Å; I403-F596 HydrophobicContact CG2-CE1 3.84Å
404	S	85.5	Confident	67	Low	15 Å²	15	63 Å²	63	11%	0.105	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	124.8	170.2	-168.6	0	0	0	0	109.3	P261 C262 C337	P261-S404 CarbonylContact C-O 3.52Å; P261-S404 WeakPolarHBondContact CA-O 3.33Å; C262-S404 PolarHBondContact N-O 3.48Å; C337-S404 WeakPolarHBondContact CB-OG 3.42Å
405	V	86.7	Confident	69.6	Low	6 Å²	6	58 Å²	58	4%	0.036	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	148.8	-178.9	-56	0	0	0	0	111.3	L236 V259 L260 C262 C337 R338 L340 I403	L236-V405 HydrophobicContact CD2-CG1 4.33Å; V259-V405 HydrophobicContact CB-CB 4.32Å; V259-V405 HydrophobicContact CG2-CB 4.04Å; V259-V405 HydrophobicContact CG2-CG1 3.7Å; L260-V405 CarbonylContact O-C 3.53Å; L260-V405 VanDerWaalsContact O-CA 3.29Å; L260-V405 WeakPolarHBondContact O-CA 3.43Å; L260-V405 WeakPolarHBondContact O-CB 3.27Å; C262-V405 PolarHBondContact SG-O 3.49Å; C337-V405 CarbonylContact C-O 3.54Å; C337-V405 VanDerWaalsContact CA-O 3.32Å; C337-V405 WeakPolarHBondContact CA-O 3.27Å; R338-V405 HydrophobicContact CB-CG2 4.36Å; R338-V405 PolarHBondContact N-O 2.94Å; R338-V405 WeakPolarHBondContact O-CG2 3.21Å; R338-V405 PolarHBondContact O-N 3.37Å; L340-V405 HydrophobicContact CD1-CB 4.39Å; L340-V405 HydrophobicContact CD1-CG1 3.92Å; L340-V405 HydrophobicContact CD1-CG2 3.59Å; L340-V405 HydrophobicContact CG-CG1 4.46Å; L340-V405 HydrophobicContact CG-CG2 3.85Å; I403-V405 HydrophobicContact CG2-CG1 4.02Å
406	I	89.7	Confident	72.3	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	132.6	177.9	-66.3	163.1	0	0	0	108.7	L260 P261 C262 M265 Q408 G483 V485 W495	L260-I406 HydrophobicContact CB-CB 4.4Å; L260-I406 HydrophobicContact CB-CD1 3.77Å; L260-I406 HydrophobicContact CB-CG1 4.47Å; L260-I406 PolarHBondContact O-N 3.2Å; P261-I406 WeakPolarHBondContact O-CD1 3.45Å; C262-I406 HydrophobicContact CB-CG1 4.39Å; C262-I406 VanDerWaalsContact SG-CA 3.58Å; C262-I406 VanDerWaalsContact SG-CG1 3.51Å; C262-I406 PolarHBondContact SG-N 2.96Å; C262-I406 VanDerWaalsContact SG-N 3.44Å; M265-I406 HydrophobicContact CE-CD1 4.42Å; M265-I406 HydrophobicContact CG-CD1 4.42Å; I406-Q408 PolarHBondContact O-N 3.1Å; I406-G483 WeakPolarHBondContact CG2-O 3.46Å; I406-V485 HydrophobicContact CD1-CG2 3.87Å; I406-V485 HydrophobicContact CG1-CG2 3.66Å; I406-W495 HydrophobicContact CD1-CD2 4.4Å; I406-W495 HydrophobicContact CD1-CH2 4.1Å; I406-W495 HydrophobicContact CD1-CZ2 3.41Å; I406-W495 VanDerWaalsContact CD1-CZ2 3.41Å
407	R	87.1	Confident	75	Confident	39 Å²	39	46.4 Å²	46.4	15%	0.147	25%	0.253	C	S	.	.			trans	-67.3	129.6	171.9	-63.6	-169.5	-167.9	-98.3	0.7	109.3	S334 I335 A336 C337 R338 D482 G483	S334-R407 PolarHBondContact O-NH2 3.5Å; I335-R407 WeakPolarHBondContact O-CD 3.24Å; I335-R407 PolarHBondContact O-NE 3.48Å; A336-R407 PolarHBondContact O-N 2.96Å; C337-R407 PolarHBondContact O-NE 3Å; C337-R407 VanDerWaalsContact O-NE 3.14Å; C337-R407 PolarHBondContact O-NH2 3.22Å; C337-R407 VanDerWaalsContact O-NH2 3.11Å; R338-R407 HydrophobicContact CB-CG 4.14Å; R407-D482 CarbonylContact O-C 3.6Å; R407-D482 WeakPolarHBondContact O-CA 3.24Å; R407-G483 PolarHBondContact O-N 3.43Å
408	Q	81.2	Confident	77.4	Confident	11 Å²	11	40.3 Å²	40.3	5%	0.051	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-120.7	148.5	168.8	-57.5	179.7	-16.9	0	0	108.4	Y246 I406	Y246-Q408 HydrophobicContact CD1-CB 3.65Å; Y246-Q408 HydrophobicContact CD1-CG 4.01Å; Y246-Q408 HydrophobicContact CE1-CB 3.56Å; Y246-Q408 HydrophobicContact CE1-CG 4.13Å; Y246-Q408 HydrophobicContact CG-CB 4.37Å; Y246-Q408 VanDerWaalsContact CZ-O 3.31Å; Y246-Q408 PolarHBondContact OH-O 3.43Å; Y246-Q408 VanDerWaalsContact OH-O 3.09Å; I406-Q408 PolarHBondContact O-N 3.1Å
409	G	71.4	Confident	79.7	Confident	10 Å²	10	32.8 Å²	32.8	10%	0.103	18%	0.181	C	C	.	.	S	Bend	trans	79.7	170.7	-177.6	0	0	0	0	0	114.4	R411 Q479 I481	G409-R411 VanDerWaalsContact C-N 3.3Å; G409-R411 PolarHBondContact O-N 3.35Å; G409-Q479 WeakPolarHBondContact CA-O 3.34Å; G409-I481 WeakPolarHBondContact CA-O 3.3Å; G409-I481 PolarHBondContact N-O 3.38Å
410	A	68.2	Low	81.6	Confident	18 Å²	18	24.9 Å²	24.9	15%	0.149	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	17.3	-173.5	0	0	0	0	0	115.4	T416	A410-T416 VanDerWaalsContact CA-OG1 3.27Å; A410-T416 WeakPolarHBondContact CA-OG1 3.47Å; A410-T416 HydrophobicContact CB-CG2 4.27Å; A410-T416 PolarHBondContact O-OG1 3.44Å
411	R	65.3	Low	83.1	Confident	61 Å²	61	23.9 Å²	23.9	23%	0.23	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-25.6	-168.5	-61.4	-173.1	-172.2	-172.1	1.3	115.2	D242 E245 G409	D242-R411 PolarHBondContact O-NH1 2.82Å; D242-R411 PolarHBondContact O-NH2 3.29Å; E245-R411 IonicContact OE1-NH2 3.61Å; E245-R411 IonicContact OE2-CZ 2.76Å; E245-R411 IonicContact OE2-NE 3.78Å; E245-R411 IonicContact OE2-NH2 3.41Å; E245-R411 PolarHBondContact OE2-NH2 2.85Å; G409-R411 VanDerWaalsContact C-N 3.3Å; G409-R411 PolarHBondContact O-N 3.35Å
412	S	76.9	Confident	84.4	Confident	21 Å²	21	22.7 Å²	22.7	15%	0.147	13%	0.129	C	C	.	.			trans	-88.3	115.6	174.9	168	0	0	0	0	109.2	A414 C415 T416	S412-A414 PolarHBondContact O-N 3.46Å; S412-C415 WeakPolarHBondContact O-CB 3.5Å; S412-C415 PolarHBondContact O-N 2.94Å; S412-C415 WeakPolarHBondContact OG-CB 3.48Å; S412-C415 PolarHBondContact OG-N 3.46Å; S412-T416 WeakPolarHBondContact O-CB 3.27Å; S412-T416 PolarHBondContact O-N 3.13Å; S412-T416 PolarHBondContact O-OG1 3.08Å
413	S	81.5	Confident	85.4	Confident	61 Å²	61	19 Å²	19	43%	0.427	11%	0.11	S	C	.	.	H	α-helix	trans	-54.4	-55.7	179.9	57.7	0	0	0	0	111.1	C415 T416 I417	S413-C415 VanDerWaalsContact C-N 3.29Å; S413-C415 PolarHBondContact O-N 3.18Å; S413-T416 PolarHBondContact O-N 3.2Å; S413-I417 WeakPolarHBondContact O-CB 3.39Å; S413-I417 WeakPolarHBondContact O-CD1 3.44Å; S413-I417 WeakPolarHBondContact O-CG1 3.07Å; S413-I417 PolarHBondContact O-N 3.24Å
414	A	86.4	Confident	86.2	Confident	37 Å²	37	18.7 Å²	18.7	31%	0.306	11%	0.108	S	C	.	.	H	α-helix	trans	-55.9	-41.5	-179.9	0	0	0	0	0	113.4	S412 L418	S412-A414 PolarHBondContact O-N 3.46Å; A414-L418 WeakPolarHBondContact O-CG 3.34Å; A414-L418 PolarHBondContact O-N 3.43Å
415	C	89.2	Confident	86.7	Confident	1 Å²	1	18.1 Å²	18.1	1%	0.007	10%	0.104	C	C	.	.	H	α-helix	trans	-62.9	-53	176.9	174.5	0	0	0	0	111.1	I335 S412 S413 I417 L418 A419 C490	I335-C415 HydrophobicContact CG2-CB 4.43Å; S412-C415 WeakPolarHBondContact O-CB 3.5Å; S412-C415 PolarHBondContact O-N 2.94Å; S412-C415 WeakPolarHBondContact OG-CB 3.48Å; S412-C415 PolarHBondContact OG-N 3.46Å; S413-C415 VanDerWaalsContact C-N 3.29Å; S413-C415 PolarHBondContact O-N 3.18Å; C415-I417 PolarHBondContact O-N 3.31Å; C415-L418 PolarHBondContact O-N 3.17Å; C415-A419 WeakPolarHBondContact O-CB 3.29Å; C415-A419 PolarHBondContact O-N 2.89Å; C415-C490 WeakPolarHBondContact CA-SG 3.42Å; C415-C490 HydrophobicContact CB-CB 4.01Å; C415-C490 WeakPolarHBondContact CB-SG 2.9Å; C415-C490 WeakPolarHBondContact O-CB 3.34Å; C415-C490 WeakPolarHBondContact SG-CB 3.32Å; C415-C490 CovalentContact SG-SG 2.01Å; C415-C490 PolarHBondContact SG-SG 2.9Å
416	T	90.1	Very high	87.2	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.3	-45.4	179.7	-58.7	0	0	0	0	111.5	A42 A410 S412 S413 L418 A419 I420 L476 I481	A42-T416 HydrophobicContact CB-CG2 3.78Å; A410-T416 VanDerWaalsContact CA-OG1 3.27Å; A410-T416 WeakPolarHBondContact CA-OG1 3.47Å; A410-T416 HydrophobicContact CB-CG2 4.27Å; A410-T416 PolarHBondContact O-OG1 3.44Å; S412-T416 WeakPolarHBondContact O-CB 3.27Å; S412-T416 PolarHBondContact O-N 3.13Å; S412-T416 PolarHBondContact O-OG1 3.08Å; S413-T416 PolarHBondContact O-N 3.2Å; T416-L418 PolarHBondContact O-N 3.02Å; T416-A419 PolarHBondContact O-N 3.27Å; T416-I420 HydrophobicContact CG2-CG2 4.43Å; T416-I420 WeakPolarHBondContact O-CG1 3.38Å; T416-I420 WeakPolarHBondContact O-CG2 3.5Å; T416-I420 PolarHBondContact O-N 3.13Å; T416-L476 HydrophobicContact CG2-CD2 3.81Å; T416-I481 HydrophobicContact CG2-CD1 3.87Å
417	I	89.6	Confident	87.6	Confident	37 Å²	37	19.1 Å²	19.1	19%	0.19	11%	0.11	C	C	.	.	H	α-helix	trans	-57.1	-49.5	179.6	-66.6	169.7	0	0	0	111	L39 F43 S413 C415 I420 I421	L39-I417 HydrophobicContact CD2-CB 3.78Å; L39-I417 HydrophobicContact CD2-CD1 4.31Å; L39-I417 HydrophobicContact CD2-CG1 3.44Å; L39-I417 VanDerWaalsContact CD2-CG1 3.44Å; L39-I417 HydrophobicContact CD2-CG2 3.56Å; F43-I417 HydrophobicContact CE1-CD1 4.28Å; F43-I417 HydrophobicContact CE2-CD1 4.11Å; F43-I417 HydrophobicContact CZ-CD1 3.55Å; F43-I417 HydrophobicContact CZ-CG1 4.49Å; S413-I417 WeakPolarHBondContact O-CB 3.39Å; S413-I417 WeakPolarHBondContact O-CD1 3.44Å; S413-I417 WeakPolarHBondContact O-CG1 3.07Å; S413-I417 PolarHBondContact O-N 3.24Å; C415-I417 PolarHBondContact O-N 3.31Å; I417-I420 VanDerWaalsContact O-CG1 3.28Å; I417-I420 WeakPolarHBondContact O-CG1 3.36Å; I417-I421 HydrophobicContact CG2-CD1 3.77Å; I417-I421 WeakPolarHBondContact O-CB 3.4Å; I417-I421 WeakPolarHBondContact O-CD1 3.34Å; I417-I421 WeakPolarHBondContact O-CG1 3.43Å; I417-I421 PolarHBondContact O-N 3.02Å; I417-I421 VanDerWaalsContact O-N 3.1Å
418	L	92.2	Very high	88	Confident	18 Å²	18	17.2 Å²	17.2	9%	0.094	10%	0.103	C	C	.	.	H	α-helix	trans	-69.8	-38.1	-179	-67.1	177.9	0	0	0	112	V324 V327 I335 A414 C415 T416 I421 E422 I489	V324-L418 HydrophobicContact CB-CD2 4.48Å; V324-L418 HydrophobicContact CG1-CB 4.09Å; V324-L418 HydrophobicContact CG1-CD2 4.1Å; V324-L418 HydrophobicContact CG2-CD2 4.15Å; V327-L418 HydrophobicContact CG1-CD1 3.79Å; V327-L418 HydrophobicContact CG1-CD2 4.31Å; I335-L418 HydrophobicContact CD1-CD1 3.49Å; I335-L418 VanDerWaalsContact CD1-CD1 3.49Å; I335-L418 HydrophobicContact CG2-CD1 3.93Å; A414-L418 WeakPolarHBondContact O-CG 3.34Å; A414-L418 PolarHBondContact O-N 3.43Å; C415-L418 PolarHBondContact O-N 3.17Å; T416-L418 PolarHBondContact O-N 3.02Å; L418-I421 PolarHBondContact O-N 2.9Å; L418-E422 VanDerWaalsContact O-CB 3.31Å; L418-E422 WeakPolarHBondContact O-CB 3.01Å; L418-E422 PolarHBondContact O-N 3.45Å; L418-I489 HydrophobicContact CD1-CG2 4.2Å
419	A	94.1	Very high	88.8	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.8	-45.7	176.4	0	0	0	0	0	112.3	C415 T416 Y423 I481 C490	C415-A419 WeakPolarHBondContact O-CB 3.29Å; C415-A419 PolarHBondContact O-N 2.89Å; T416-A419 PolarHBondContact O-N 3.27Å; A419-Y423 WeakPolarHBondContact O-CB 3.46Å; A419-Y423 PolarHBondContact O-N 3.45Å; A419-I481 HydrophobicContact CB-CD1 4.24Å; A419-I481 HydrophobicContact CB-CG1 4.35Å; A419-I481 HydrophobicContact CB-CG2 3.5Å; A419-I481 VanDerWaalsContact CB-CG2 3.5Å; A419-C490 VanDerWaalsContact CA-O 3.28Å; A419-C490 WeakPolarHBondContact CA-O 3.02Å; A419-C490 HydrophobicContact CB-CB 3.97Å; A419-C490 WeakPolarHBondContact CB-O 3.38Å
420	I	92.5	Very high	90	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-71.4	-35.6	-179.4	66	177.4	0	0	0	112.5	L39 T416 I417 Y424 M472 L476 I481	L39-I420 HydrophobicContact CD2-CD1 3.73Å; L39-I420 HydrophobicContact CD2-CG1 4.39Å; L39-I420 HydrophobicContact CG-CD1 4.32Å; T416-I420 HydrophobicContact CG2-CG2 4.43Å; T416-I420 WeakPolarHBondContact O-CG1 3.38Å; T416-I420 WeakPolarHBondContact O-CG2 3.5Å; T416-I420 PolarHBondContact O-N 3.13Å; I417-I420 VanDerWaalsContact O-CG1 3.28Å; I417-I420 WeakPolarHBondContact O-CG1 3.36Å; I420-Y424 WeakPolarHBondContact O-CB 3.46Å; I420-Y424 PolarHBondContact O-N 2.95Å; I420-M472 HydrophobicContact CB-CG 4.09Å; I420-M472 HydrophobicContact CB-SD 4.1Å; I420-M472 HydrophobicContact CG2-CG 4.31Å; I420-L476 HydrophobicContact CG2-CD1 4.3Å; I420-L476 HydrophobicContact CG2-CD2 3.72Å; I420-L476 HydrophobicContact CG2-CG 3.96Å; I420-I481 HydrophobicContact CG2-CD1 4.11Å
421	I	93.6	Very high	91.4	Very high	28 Å²	28	16.3 Å²	16.3	14%	0.144	9%	0.094	C	C	.	.	H	α-helix	trans	-64.9	-51.2	176.2	-70.6	171.1	0	0	0	109.3	V35 I320 V324 I417 L418 Y423 Y424 F425	V35-I421 HydrophobicContact CG1-CD1 4.43Å; V35-I421 HydrophobicContact CG1-CG1 3.88Å; I320-I421 HydrophobicContact CG2-CG2 3.42Å; I320-I421 VanDerWaalsContact CG2-CG2 3.42Å; V324-I421 HydrophobicContact CG2-CB 4.15Å; V324-I421 HydrophobicContact CG2-CG2 3.54Å; I417-I421 HydrophobicContact CG2-CD1 3.77Å; I417-I421 WeakPolarHBondContact O-CB 3.4Å; I417-I421 WeakPolarHBondContact O-CD1 3.34Å; I417-I421 WeakPolarHBondContact O-CG1 3.43Å; I417-I421 PolarHBondContact O-N 3.02Å; I417-I421 VanDerWaalsContact O-N 3.1Å; L418-I421 PolarHBondContact O-N 2.9Å; I421-Y423 PolarHBondContact O-N 3.18Å; I421-Y424 PolarHBondContact O-N 3.25Å; I421-F425 HydrophobicContact CG2-CD2 3.81Å; I421-F425 HydrophobicContact CG2-CE2 4.05Å; I421-F425 VanDerWaalsContact O-CD2 3.23Å; I421-F425 WeakPolarHBondContact O-CD2 3.47Å; I421-F425 PolarHBondContact O-N 3.19Å; I421-F425 VanDerWaalsContact O-N 3.09Å
422	E	95.7	Very high	92.9	Very high	22 Å²	22	13.5 Å²	13.5	10%	0.103	8%	0.084	C	C	.	.	H	α-helix	trans	-55.1	-52.3	176.8	-173.7	-77.9	140	0	0	110.8	V324 L418 Y424 F425 T426 I489	V324-E422 HydrophobicContact CG1-CB 4.18Å; L418-E422 VanDerWaalsContact O-CB 3.31Å; L418-E422 WeakPolarHBondContact O-CB 3.01Å; L418-E422 PolarHBondContact O-N 3.45Å; E422-Y424 PolarHBondContact O-N 2.84Å; E422-F425 PolarHBondContact O-N 2.99Å; E422-T426 VanDerWaalsContact O-CB 3.3Å; E422-T426 WeakPolarHBondContact O-CB 3.48Å; E422-T426 PolarHBondContact O-N 2.88Å; E422-T426 PolarHBondContact O-OG1 3.31Å; E422-T426 PolarHBondContact OE1-OG1 3.46Å; E422-I489 HydrophobicContact CB-CD1 4.47Å; E422-I489 HydrophobicContact CG-CD1 4.2Å
423	Y	96.4	Very high	93.9	Very high	6 Å²	6	12.6 Å²	12.6	2%	0.024	8%	0.077	C	C	.	.	H	α-helix	trans	-59.1	-50.9	-179.4	-178.8	-102.4	0	0	0	112.8	A419 I421 F425 T426 I427 L471 M472 V475 V492 F503 V504	A419-Y423 WeakPolarHBondContact O-CB 3.46Å; A419-Y423 PolarHBondContact O-N 3.45Å; I421-Y423 PolarHBondContact O-N 3.18Å; Y423-F425 PolarHBondContact O-N 3.43Å; Y423-T426 PolarHBondContact O-N 2.88Å; Y423-I427 HydrophobicContact CE1-CG1 4.25Å; Y423-I427 HydrophobicContact CE2-CD1 4.32Å; Y423-I427 HydrophobicContact CE2-CG1 4.13Å; Y423-I427 WeakPolarHBondContact O-CG1 3.18Å; Y423-I427 PolarHBondContact O-N 3.02Å; Y423-L471 HydrophobicContact CE1-CB 3.96Å; Y423-M472 HydrophobicContact CD1-CB 4.38Å; Y423-V475 HydrophobicContact CE1-CG2 3.91Å; Y423-V492 HydrophobicContact CD2-CB 4.28Å; Y423-V492 HydrophobicContact CD2-CG2 3.75Å; Y423-V492 HydrophobicContact CE2-CG2 4.4Å; Y423-V492 HydrophobicContact CG-CG2 3.88Å; Y423-F503 VanDerWaalsContact CE2-O 3.23Å; Y423-F503 WeakPolarHBondContact CE2-O 3.47Å; Y423-F503 PolarHBondContact OH-O 3.39Å; Y423-V504 HydrophobicContact CE2-CG2 4.24Å
424	Y	96.2	Very high	94.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.4	-48.9	-177.8	-179.8	-88.7	0	0	0	111.4	A31 V34 V35 I420 I421 E422 I427 A428 W465 P468 A469 M472	A31-Y424 HydrophobicContact CB-CE1 4.28Å; V34-Y424 HydrophobicContact CG1-CE2 4.1Å; V35-Y424 HydrophobicContact CG2-CD1 4.12Å; V35-Y424 HydrophobicContact CG2-CE1 4.4Å; V35-Y424 HydrophobicContact CG2-CG 4.35Å; I420-Y424 WeakPolarHBondContact O-CB 3.46Å; I420-Y424 PolarHBondContact O-N 2.95Å; I421-Y424 PolarHBondContact O-N 3.25Å; E422-Y424 PolarHBondContact O-N 2.84Å; Y424-I427 PolarHBondContact O-N 3.22Å; Y424-A428 VanDerWaalsContact O-CB 3.26Å; Y424-A428 WeakPolarHBondContact O-CB 3.36Å; Y424-A428 PolarHBondContact O-N 3.44Å; Y424-W465 AromaticContact CE1-CE3 3.85Å; Y424-W465 HydrophobicContact CE1-CE3 3.85Å; Y424-W465 HydrophobicContact CE1-CZ3 4.05Å; Y424-W465 PolarHBondContact OH-O 3.46Å; Y424-P468 HydrophobicContact CD2-CB 3.74Å; Y424-P468 HydrophobicContact CE2-CB 3.74Å; Y424-P468 HydrophobicContact CG-CB 4.24Å; Y424-A469 HydrophobicContact CE2-CB 3.93Å; Y424-M472 HydrophobicContact CD2-CB 4.4Å; Y424-M472 HydrophobicContact CD2-SD 3.96Å; Y424-M472 HydrophobicContact CG-SD 4.4Å
425	F	96.8	Very high	95.1	Very high	3 Å²	3	9.3 Å²	9.3	1%	0.013	5%	0.05	C	C	.	.	H	α-helix	trans	-74	-26.7	-177.6	-74.8	-73.1	0	0	0	112.8	V35 C317 I320 I321 I421 E422 Y423 S429 W465	V35-F425 HydrophobicContact CG2-CE2 4.19Å; C317-F425 HydrophobicContact CB-CB 4.29Å; C317-F425 HydrophobicContact CB-CD1 4.05Å; I320-F425 HydrophobicContact CB-CD1 4.44Å; I320-F425 HydrophobicContact CB-CD2 3.94Å; I320-F425 HydrophobicContact CB-CE2 4.07Å; I320-F425 HydrophobicContact CB-CG 4.15Å; I320-F425 HydrophobicContact CB-CZ 4.36Å; I320-F425 HydrophobicContact CG1-CE1 4.23Å; I320-F425 HydrophobicContact CG1-CE2 4.24Å; I320-F425 HydrophobicContact CG1-CZ 4.07Å; I320-F425 HydrophobicContact CG2-CD2 3.5Å; I320-F425 VanDerWaalsContact CG2-CD2 3.5Å; I320-F425 HydrophobicContact CG2-CE2 3.52Å; I320-F425 HydrophobicContact CG2-CG 4.21Å; I320-F425 HydrophobicContact CG2-CZ 4.21Å; I321-F425 HydrophobicContact CD1-CB 4.1Å; I321-F425 HydrophobicContact CG1-CB 3.78Å; I421-F425 HydrophobicContact CG2-CD2 3.81Å; I421-F425 HydrophobicContact CG2-CE2 4.05Å; I421-F425 VanDerWaalsContact O-CD2 3.23Å; I421-F425 WeakPolarHBondContact O-CD2 3.47Å; I421-F425 PolarHBondContact O-N 3.19Å; I421-F425 VanDerWaalsContact O-N 3.09Å; E422-F425 PolarHBondContact O-N 2.99Å; Y423-F425 PolarHBondContact O-N 3.43Å; F425-S429 VanDerWaalsContact O-CB 3.31Å; F425-S429 WeakPolarHBondContact O-CB 3.49Å; F425-S429 PolarHBondContact O-N 3.07Å; F425-S429 PolarHBondContact O-OG 3.47Å; F425-W465 HydrophobicContact CD1-CZ3 4.45Å; F425-W465 HydrophobicContact CE1-CZ3 4.22Å
426	T	97.1	Very high	95.5	Very high	25 Å²	25	9.3 Å²	9.3	15%	0.153	5%	0.05	C	C	.	.	H	α-helix	trans	-67.6	-42.9	172.4	-70.1	0	0	0	0	111.9	E422 Y423 S429 S430 L508	E422-T426 VanDerWaalsContact O-CB 3.3Å; E422-T426 WeakPolarHBondContact O-CB 3.48Å; E422-T426 PolarHBondContact O-N 2.88Å; E422-T426 PolarHBondContact O-OG1 3.31Å; E422-T426 PolarHBondContact OE1-OG1 3.46Å; Y423-T426 PolarHBondContact O-N 2.88Å; T426-S429 PolarHBondContact O-OG 3.24Å; T426-S430 PolarHBondContact O-N 3.35Å; T426-S430 PolarHBondContact O-OG 3.19Å; T426-S430 VanDerWaalsContact O-OG 3.1Å; T426-L508 HydrophobicContact CG2-CD2 4.41Å
427	I	97.2	Very high	95.8	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-70.7	-43.3	174.1	-56.9	-56.3	0	0	0	110.4	Y423 Y424 S429 S430 V431 L467 P468 L471 P507 L508	Y423-I427 HydrophobicContact CE1-CG1 4.25Å; Y423-I427 HydrophobicContact CE2-CD1 4.32Å; Y423-I427 HydrophobicContact CE2-CG1 4.13Å; Y423-I427 WeakPolarHBondContact O-CG1 3.18Å; Y423-I427 PolarHBondContact O-N 3.02Å; Y424-I427 PolarHBondContact O-N 3.22Å; I427-S429 VanDerWaalsContact C-N 3.34Å; I427-S429 PolarHBondContact O-N 3.35Å; I427-S430 WeakPolarHBondContact O-CB 3.29Å; I427-S430 PolarHBondContact O-N 3.07Å; I427-S430 VanDerWaalsContact O-N 3.16Å; I427-V431 HydrophobicContact CG2-CG2 4.42Å; I427-V431 WeakPolarHBondContact O-CG2 3.35Å; I427-V431 PolarHBondContact O-N 3.42Å; I427-L467 HydrophobicContact CG2-CD2 3.83Å; I427-P468 HydrophobicContact CB-CB 4.06Å; I427-P468 HydrophobicContact CB-CG 4.2Å; I427-P468 HydrophobicContact CG2-CB 4.06Å; I427-P468 HydrophobicContact CG2-CG 3.87Å; I427-L471 HydrophobicContact CG2-CD1 4.04Å; I427-P507 HydrophobicContact CD1-CB 4.03Å; I427-L508 HydrophobicContact CD1-CD2 4.3Å
428	A	96.9	Very high	96.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-59.1	-43.2	179.3	0	0	0	0	0	112.2	Y424 S430 V431 W432 W465 P468	Y424-A428 VanDerWaalsContact O-CB 3.26Å; Y424-A428 WeakPolarHBondContact O-CB 3.36Å; Y424-A428 PolarHBondContact O-N 3.44Å; A428-S430 VanDerWaalsContact C-N 3.31Å; A428-S430 PolarHBondContact O-N 3.27Å; A428-V431 PolarHBondContact O-N 2.9Å; A428-W432 WeakPolarHBondContact O-CB 3.39Å; A428-W432 PolarHBondContact O-N 3.45Å; A428-W465 HydrophobicContact CB-CE3 3.98Å; A428-W465 HydrophobicContact CB-CZ3 3.67Å; A428-P468 HydrophobicContact CB-CB 4.35Å; A428-P468 HydrophobicContact CB-CG 3.77Å
429	S	96.6	Very high	96.2	Very high	1 Å²	1	8 Å²	8	1%	0.007	4%	0.044	C	C	.	.	H	α-helix	trans	-61.7	-39.4	177.3	69.2	0	0	0	0	111.9	F425 T426 I427 W432 W433	F425-S429 VanDerWaalsContact O-CB 3.31Å; F425-S429 WeakPolarHBondContact O-CB 3.49Å; F425-S429 PolarHBondContact O-N 3.07Å; F425-S429 PolarHBondContact O-OG 3.47Å; T426-S429 PolarHBondContact O-OG 3.24Å; I427-S429 VanDerWaalsContact C-N 3.34Å; I427-S429 PolarHBondContact O-N 3.35Å; S429-W432 PolarHBondContact O-N 3.04Å; S429-W433 PolarHBondContact O-N 3.06Å
430	S	97.2	Very high	96.2	Very high	9 Å²	9	8 Å²	8	6%	0.063	4%	0.044	C	C	.	.	H	α-helix	trans	-64.7	-41.4	175.6	-62.6	0	0	0	0	112.2	T426 I427 A428 W433 I434 L508 Y557	T426-S430 PolarHBondContact O-N 3.35Å; T426-S430 PolarHBondContact O-OG 3.19Å; T426-S430 VanDerWaalsContact O-OG 3.1Å; I427-S430 WeakPolarHBondContact O-CB 3.29Å; I427-S430 PolarHBondContact O-N 3.07Å; I427-S430 VanDerWaalsContact O-N 3.16Å; A428-S430 VanDerWaalsContact C-N 3.31Å; A428-S430 PolarHBondContact O-N 3.27Å; S430-W433 WeakPolarHBondContact O-CB 3.12Å; S430-W433 PolarHBondContact O-N 2.87Å; S430-I434 WeakPolarHBondContact O-CG1 3.2Å; S430-I434 PolarHBondContact O-N 3.14Å; S430-I434 VanDerWaalsContact O-N 3.13Å; S430-L508 WeakPolarHBondContact OG-CD2 3.18Å; S430-Y557 WeakPolarHBondContact CA-OH 3.44Å; S430-Y557 PolarHBondContact OG-OH 3.23Å
431	V	97.5	Very high	96.3	Very high	10 Å²	10	10.1 Å²	10.1	6%	0.061	5%	0.053	C	C	.	.	H	α-helix	trans	-68.6	-39	174.9	-175.3	0	0	0	0	111.3	I427 A428 W433 I434 V435 A464 L467	I427-V431 HydrophobicContact CG2-CG2 4.42Å; I427-V431 WeakPolarHBondContact O-CG2 3.35Å; I427-V431 PolarHBondContact O-N 3.42Å; A428-V431 PolarHBondContact O-N 2.9Å; V431-W433 VanDerWaalsContact C-N 3.26Å; V431-W433 PolarHBondContact O-N 2.79Å; V431-I434 WeakPolarHBondContact O-CB 3.37Å; V431-I434 PolarHBondContact O-N 2.93Å; V431-V435 WeakPolarHBondContact O-CG2 3.5Å; V431-V435 PolarHBondContact O-N 3.08Å; V431-A464 HydrophobicContact CB-CB 4.41Å; V431-A464 HydrophobicContact CG1-CB 3.98Å; V431-L467 HydrophobicContact CG2-CD2 4.17Å
432	W	97.1	Very high	96.3	Very high	1 Å²	1	9.8 Å²	9.8	0%	0.004	5%	0.051	C	C	.	.	H	α-helix	trans	-61.3	-34.8	173.4	-82.2	117.2	0	0	0	112.7	P310 C313 L314 A428 S429 V435 L436 H461 A464 W465	P310-W432 HydrophobicContact CB-CE3 4.01Å; C313-W432 HydrophobicContact CB-CD2 3.44Å; C313-W432 VanDerWaalsContact CB-CD2 3.44Å; C313-W432 VanDerWaalsContact CB-CE2 3.45Å; C313-W432 HydrophobicContact CB-CE3 3.86Å; C313-W432 HydrophobicContact CB-CG 3.81Å; C313-W432 HydrophobicContact CB-CH2 4.31Å; C313-W432 HydrophobicContact CB-CZ2 3.91Å; C313-W432 HydrophobicContact CB-CZ3 4.27Å; L314-W432 HydrophobicContact CB-CB 4.35Å; A428-W432 WeakPolarHBondContact O-CB 3.39Å; A428-W432 PolarHBondContact O-N 3.45Å; S429-W432 PolarHBondContact O-N 3.04Å; W432-V435 HydrophobicContact CE3-CB 4.12Å; W432-V435 HydrophobicContact CE3-CG1 4.12Å; W432-V435 HydrophobicContact CE3-CG2 4.4Å; W432-V435 HydrophobicContact CZ3-CB 4.46Å; W432-V435 HydrophobicContact CZ3-CG1 4.02Å; W432-V435 PolarHBondContact O-N 3Å; W432-L436 PolarHBondContact O-N 3.5Å; W432-H461 AromaticContact CH2-CE1 3.44Å; W432-H461 VanDerWaalsContact CH2-CE1 3.44Å; W432-H461 WeakPolarHBondContact CH2-CE1 3.14Å; W432-H461 AromaticContact CH2-CG 3.93Å; W432-H461 AromaticContact CH2-ND1 3.37Å; W432-H461 WeakPolarHBondContact CH2-ND1 3.31Å; W432-H461 AromaticContact CZ2-CE1 3.88Å; W432-H461 AromaticContact CZ2-ND1 3.56Å; W432-A464 HydrophobicContact CD2-CB 3.77Å; W432-A464 VanDerWaalsContact CE2-CB 3.42Å; W432-A464 HydrophobicContact CE3-CB 4.29Å; W432-A464 HydrophobicContact CG-CB 4.2Å; W432-A464 HydrophobicContact CH2-CB 4.16Å; W432-A464 HydrophobicContact CZ2-CB 3.65Å; W432-A464 HydrophobicContact CZ3-CB 4.48Å; W432-W465 AromaticContact CE2-CZ2 3.88Å; W432-W465 AromaticContact CZ2-CE2 3.8Å; W432-W465 AromaticContact CZ2-CZ2 3.93Å; W432-W465 HydrophobicContact CZ2-CZ2 3.93Å; W432-W465 AromaticContact CZ2-NE1 3.67Å; W432-W465 AromaticContact NE1-CE2 3.64Å; W432-W465 AromaticContact NE1-CH2 3.42Å; W432-W465 AromaticContact NE1-CZ2 3.28Å; W432-W465 VanDerWaalsContact NE1-CZ2 3.28Å; W432-W465 AromaticContact NE1-CZ3 3.89Å
433	W	97.5	Very high	96	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.008	5%	0.053	C	C	.	.	H	α-helix	trans	-66	-38.7	171.4	178.7	79.2	0	0	0	112.3	L314 S429 S430 V431 L436 N437 L512 T516 S554 Y557 T558	L314-W433 HydrophobicContact CD1-CB 4.15Å; S429-W433 PolarHBondContact O-N 3.06Å; S430-W433 WeakPolarHBondContact O-CB 3.12Å; S430-W433 PolarHBondContact O-N 2.87Å; V431-W433 VanDerWaalsContact C-N 3.26Å; V431-W433 PolarHBondContact O-N 2.79Å; W433-L436 WeakPolarHBondContact O-CB 3.4Å; W433-L436 PolarHBondContact O-N 3.31Å; W433-N437 VanDerWaalsContact CZ2-ND2 3.3Å; W433-N437 WeakPolarHBondContact CZ2-ND2 3.34Å; W433-N437 PolarHBondContact NE1-ND2 3.08Å; W433-N437 PolarHBondContact O-N 2.97Å; W433-N437 VanDerWaalsContact O-N 3.11Å; W433-N437 PolarHBondContact O-ND2 3.11Å; W433-L512 HydrophobicContact CH2-CD1 4.03Å; W433-L512 HydrophobicContact CZ3-CD1 4.18Å; W433-T516 HydrophobicContact CH2-CG2 4.01Å; W433-S554 PolarHBondContact NE1-O 2.98Å; W433-Y557 HydrophobicContact CB-CD1 4.21Å; W433-Y557 HydrophobicContact CB-CD2 4.3Å; W433-Y557 HydrophobicContact CB-CE1 3.91Å; W433-Y557 HydrophobicContact CB-CE2 4Å; W433-Y557 HydrophobicContact CB-CG 4.44Å; W433-Y557 AromaticContact CD1-CD1 3.33Å; W433-Y557 AromaticContact CD1-CD2 3.66Å; W433-Y557 AromaticContact CD1-CE1 3.93Å; W433-Y557 AromaticContact CD1-CG 3.21Å; W433-Y557 AromaticContact CD2-CD1 3.48Å; W433-Y557 HydrophobicContact CD2-CD1 3.48Å; W433-Y557 VanDerWaalsContact CD2-CD1 3.48Å; W433-Y557 AromaticContact CD2-CE1 3.65Å; W433-Y557 HydrophobicContact CD2-CE1 3.65Å; W433-Y557 HydrophobicContact CD2-CG 4.2Å; W433-Y557 AromaticContact CE2-CD1 3.47Å; W433-Y557 VanDerWaalsContact CE2-CD1 3.47Å; W433-Y557 HydrophobicContact CE3-CD1 4.25Å; W433-Y557 HydrophobicContact CE3-CE1 4.08Å; W433-Y557 AromaticContact CG-CD1 3.42Å; W433-Y557 HydrophobicContact CG-CD1 3.42Å; W433-Y557 VanDerWaalsContact CG-CD1 3.42Å; W433-Y557 HydrophobicContact CG-CD2 4.05Å; W433-Y557 AromaticContact CG-CE1 3.55Å; W433-Y557 HydrophobicContact CG-CE1 3.55Å; W433-Y557 HydrophobicContact CG-CE2 4.15Å; W433-Y557 AromaticContact CG-CG 3.72Å; W433-Y557 HydrophobicContact CG-CG 3.72Å; W433-Y557 AromaticContact CG-CZ 3.94Å; W433-Y557 HydrophobicContact CZ2-CD1 4.24Å; W433-Y557 AromaticContact NE1-CD1 3.35Å; W433-Y557 AromaticContact NE1-CG 3.42Å; W433-T558 HydrophobicContact CH2-CG2 3.92Å; W433-T558 HydrophobicContact CZ2-CG2 3.42Å; W433-T558 VanDerWaalsContact CZ2-CG2 3.42Å
434	I	97.7	Very high	95.6	Very high	24 Å²	24	9.4 Å²	9.4	12%	0.123	5%	0.054	C	C	.	.	H	α-helix	trans	-61.4	-46.6	171.3	-60	167.4	0	0	0	110.3	S430 V431 L436 N437 V438 C511 L514	S430-I434 WeakPolarHBondContact O-CG1 3.2Å; S430-I434 PolarHBondContact O-N 3.14Å; S430-I434 VanDerWaalsContact O-N 3.13Å; V431-I434 WeakPolarHBondContact O-CB 3.37Å; V431-I434 PolarHBondContact O-N 2.93Å; I434-L436 VanDerWaalsContact C-N 3.26Å; I434-L436 PolarHBondContact O-N 3.03Å; I434-N437 PolarHBondContact O-N 3.34Å; I434-N437 VanDerWaalsContact O-N 3.07Å; I434-V438 HydrophobicContact CG2-CG2 4.11Å; I434-V438 WeakPolarHBondContact O-CG2 3.47Å; I434-V438 PolarHBondContact O-N 2.9Å; I434-C511 HydrophobicContact CD1-CB 3.84Å; I434-L514 HydrophobicContact CD1-CB 4.37Å
435	V	97	Very high	95.1	Very high	6 Å²	6	10.6 Å²	10.6	4%	0.036	7%	0.065	C	C	.	.	H	α-helix	trans	-58.1	-39.7	177.2	173.8	0	0	0	0	111	P310 V431 W432 V438 T439 F460	P310-V435 HydrophobicContact CB-CG1 4.31Å; P310-V435 HydrophobicContact CG-CG1 3.81Å; V431-V435 WeakPolarHBondContact O-CG2 3.5Å; V431-V435 PolarHBondContact O-N 3.08Å; W432-V435 HydrophobicContact CE3-CB 4.12Å; W432-V435 HydrophobicContact CE3-CG1 4.12Å; W432-V435 HydrophobicContact CE3-CG2 4.4Å; W432-V435 HydrophobicContact CZ3-CB 4.46Å; W432-V435 HydrophobicContact CZ3-CG1 4.02Å; W432-V435 PolarHBondContact O-N 3Å; V435-V438 PolarHBondContact O-N 3.25Å; V435-T439 HydrophobicContact CG1-CG2 4.12Å; V435-T439 WeakPolarHBondContact O-CB 3.01Å; V435-T439 VanDerWaalsContact O-CG2 3.28Å; V435-T439 WeakPolarHBondContact O-CG2 3.4Å; V435-T439 PolarHBondContact O-N 2.95Å; V435-T439 PolarHBondContact O-OG1 3.31Å; V435-F460 HydrophobicContact CG1-CB 3.79Å; V435-F460 HydrophobicContact CG1-CD1 4.21Å; V435-F460 HydrophobicContact CG1-CD2 4.28Å; V435-F460 HydrophobicContact CG1-CG 3.85Å; V435-F460 HydrophobicContact CG2-CB 4.17Å
436	L	95.7	Very high	94.7	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-57.9	-49.1	173.7	-177.9	63.8	0	0	0	111.5	P310 I311 W432 W433 I434 T439 W440 I550 F553 S554	P310-L436 HydrophobicContact CB-CB 3.98Å; P310-L436 HydrophobicContact CB-CD1 4.22Å; P310-L436 HydrophobicContact CG-CD1 4.48Å; I311-L436 HydrophobicContact CD1-CD1 4.21Å; I311-L436 HydrophobicContact CD1-CD2 4.44Å; I311-L436 HydrophobicContact CG1-CD1 3.78Å; I311-L436 HydrophobicContact CG1-CD2 3.89Å; I311-L436 HydrophobicContact CG1-CG 4.49Å; W432-L436 PolarHBondContact O-N 3.5Å; W433-L436 WeakPolarHBondContact O-CB 3.4Å; W433-L436 PolarHBondContact O-N 3.31Å; I434-L436 VanDerWaalsContact C-N 3.26Å; I434-L436 PolarHBondContact O-N 3.03Å; L436-T439 PolarHBondContact O-N 3.37Å; L436-T439 PolarHBondContact O-OG1 3.1Å; L436-T439 VanDerWaalsContact O-OG1 3.09Å; L436-W440 WeakPolarHBondContact O-CB 3.23Å; L436-W440 PolarHBondContact O-N 2.02Å; L436-I550 HydrophobicContact CD1-CG2 3.75Å; L436-I550 HydrophobicContact CG-CG2 4.11Å; L436-F553 HydrophobicContact CD2-CD1 3.68Å; L436-F553 HydrophobicContact CD2-CE1 4.03Å; L436-S554 WeakPolarHBondContact CD2-OG 3.36Å
437	N	96.5	Very high	94.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67.8	-37.7	-179.9	-69.8	-66.7	0	0	0	112.8	W433 I434 F441 F518 L519 S554	W433-N437 VanDerWaalsContact CZ2-ND2 3.3Å; W433-N437 WeakPolarHBondContact CZ2-ND2 3.34Å; W433-N437 PolarHBondContact NE1-ND2 3.08Å; W433-N437 PolarHBondContact O-N 2.97Å; W433-N437 VanDerWaalsContact O-N 3.11Å; W433-N437 PolarHBondContact O-ND2 3.11Å; I434-N437 PolarHBondContact O-N 3.34Å; I434-N437 VanDerWaalsContact O-N 3.07Å; N437-F441 WeakPolarHBondContact O-CB 3.34Å; N437-F441 PolarHBondContact O-N 3.02Å; N437-F518 HydrophobicContact CB-CB 3.85Å; N437-L519 WeakPolarHBondContact OD1-CD1 3.45Å; N437-S554 VanDerWaalsContact OD1-CB 3.31Å; N437-S554 WeakPolarHBondContact OD1-CB 3.43Å; N437-S554 PolarHBondContact OD1-OG 3.21Å; N437-S554 VanDerWaalsContact OD1-OG 3.11Å
438	V	96	Very high	93.9	Very high	27 Å²	27	25.6 Å²	25.6	16%	0.164	13%	0.13	C	C	.	.	H	α-helix	trans	-63.3	-52.7	174.7	170	0	0	0	0	110.3	I434 V435 W440 F441 L442 F460 F518	I434-V438 HydrophobicContact CG2-CG2 4.11Å; I434-V438 WeakPolarHBondContact O-CG2 3.47Å; I434-V438 PolarHBondContact O-N 2.9Å; V435-V438 PolarHBondContact O-N 3.25Å; V438-W440 VanDerWaalsContact C-N 3.28Å; V438-W440 PolarHBondContact O-N 3.47Å; V438-F441 PolarHBondContact O-N 3.46Å; V438-F441 VanDerWaalsContact O-N 3.17Å; V438-L442 HydrophobicContact CG1-CD1 4Å; V438-L442 HydrophobicContact CG1-CG 4.34Å; V438-L442 VanDerWaalsContact O-CG 3.28Å; V438-L442 WeakPolarHBondContact O-CG 3.37Å; V438-L442 PolarHBondContact O-N 3.09Å; V438-F460 HydrophobicContact CG1-CE1 4.43Å; V438-F518 HydrophobicContact CG2-CD1 4.12Å; V438-F518 HydrophobicContact CG2-CD2 3.56Å; V438-F518 HydrophobicContact CG2-CE1 4.19Å; V438-F518 HydrophobicContact CG2-CE2 3.65Å; V438-F518 HydrophobicContact CG2-CG 3.82Å; V438-F518 HydrophobicContact CG2-CZ 3.97Å
439	T	95	Very high	93.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.6	-34.9	-178.9	55.8	0	0	0	0	112	Y306 V435 L436 A443 I453 F460	Y306-T439 HydrophobicContact CD1-CG2 4.08Å; Y306-T439 HydrophobicContact CE1-CG2 4.4Å; V435-T439 HydrophobicContact CG1-CG2 4.12Å; V435-T439 WeakPolarHBondContact O-CB 3.01Å; V435-T439 VanDerWaalsContact O-CG2 3.28Å; V435-T439 WeakPolarHBondContact O-CG2 3.4Å; V435-T439 PolarHBondContact O-N 2.95Å; V435-T439 PolarHBondContact O-OG1 3.31Å; L436-T439 PolarHBondContact O-N 3.37Å; L436-T439 PolarHBondContact O-OG1 3.1Å; L436-T439 VanDerWaalsContact O-OG1 3.09Å; T439-A443 WeakPolarHBondContact O-CB 2.96Å; T439-A443 PolarHBondContact O-N 3.37Å; T439-I453 HydrophobicContact CG2-CG2 3.66Å; T439-F460 HydrophobicContact CG2-CD2 4.21Å; T439-F460 HydrophobicContact CG2-CE2 3.73Å; T439-F460 HydrophobicContact CG2-CZ 3.9Å
440	W	94.2	Very high	93.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.7	-45.1	171.4	176.4	78.6	0	0	0	112.6	L436 V438 A443 A444 L519 G522 F523 L526 I547 I550 S551	L436-W440 WeakPolarHBondContact O-CB 3.23Å; L436-W440 PolarHBondContact O-N 2.02Å; V438-W440 VanDerWaalsContact C-N 3.28Å; V438-W440 PolarHBondContact O-N 3.47Å; W440-A443 PolarHBondContact O-N 3.44Å; W440-A444 VanDerWaalsContact O-CB 3.28Å; W440-A444 WeakPolarHBondContact O-CB 3.44Å; W440-A444 PolarHBondContact O-N 3.4Å; W440-L519 HydrophobicContact CE3-CD1 4.46Å; W440-L519 HydrophobicContact CH2-CD1 4.11Å; W440-L519 WeakPolarHBondContact CH2-O 3.15Å; W440-L519 HydrophobicContact CZ3-CD1 3.89Å; W440-L519 WeakPolarHBondContact CZ3-O 3.45Å; W440-G522 VanDerWaalsContact CZ3-C 3.43Å; W440-F523 HydrophobicContact CH2-CB 4.25Å; W440-F523 HydrophobicContact CH2-CD1 4.37Å; W440-F523 AromaticContact CH2-CD2 3.82Å; W440-F523 HydrophobicContact CH2-CD2 3.82Å; W440-F523 HydrophobicContact CH2-CE2 4.24Å; W440-F523 AromaticContact CH2-CG 3.88Å; W440-F523 HydrophobicContact CH2-CG 3.88Å; W440-L526 HydrophobicContact CZ2-CD1 4.35Å; W440-I547 VanDerWaalsContact NE1-CG2 3.29Å; W440-I547 PolarHBondContact NE1-O 3.23Å; W440-I550 HydrophobicContact CB-CG2 4Å; W440-I550 HydrophobicContact CG-CG2 3.94Å; W440-S551 VanDerWaalsContact CZ2-CB 3.46Å
441	F	94.1	Very high	92.9	Very high	45 Å²	45	36.8 Å²	36.8	20%	0.197	19%	0.193	C	C	.	.	H	α-helix	trans	-62.5	-42.2	174.2	167.5	-104.5	0	0	0	112.3	N437 V438 A443 A444 G445 L446 F518 A521	N437-F441 WeakPolarHBondContact O-CB 3.34Å; N437-F441 PolarHBondContact O-N 3.02Å; V438-F441 PolarHBondContact O-N 3.46Å; V438-F441 VanDerWaalsContact O-N 3.17Å; F441-A443 VanDerWaalsContact C-N 3.34Å; F441-A443 PolarHBondContact O-N 3.42Å; F441-A444 PolarHBondContact O-N 3.48Å; F441-G445 WeakPolarHBondContact O-CA 3.45Å; F441-G445 PolarHBondContact O-N 3.38Å; F441-L446 HydrophobicContact CE1-CG 4.43Å; F441-F518 HydrophobicContact CB-CD1 4.5Å; F441-F518 HydrophobicContact CD1-CD1 4.15Å; F441-F518 HydrophobicContact CD1-CE1 4.48Å; F441-F518 HydrophobicContact CG-CD1 4.4Å; F441-A521 HydrophobicContact CD2-CB 3.82Å; F441-A521 HydrophobicContact CE2-CB 3.86Å
442	L	93.8	Very high	92.7	Very high	21 Å²	21	38.3 Å²	38.3	11%	0.11	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-42.6	176.7	-67.4	174.5	0	0	0	111.5	V438 L446 K447 W448 I453 F460	V438-L442 HydrophobicContact CG1-CD1 4Å; V438-L442 HydrophobicContact CG1-CG 4.34Å; V438-L442 VanDerWaalsContact O-CG 3.28Å; V438-L442 WeakPolarHBondContact O-CG 3.37Å; V438-L442 PolarHBondContact O-N 3.09Å; L442-L446 HydrophobicContact CD2-CD1 3.61Å; L442-L446 HydrophobicContact CD2-CG 4.39Å; L442-L446 CarbonylContact O-C 3.18Å; L442-L446 WeakPolarHBondContact O-CA 3.41Å; L442-L446 WeakPolarHBondContact O-CB 3.25Å; L442-L446 PolarHBondContact O-N 3.13Å; L442-K447 PolarHBondContact O-N 2.97Å; L442-W448 HydrophobicContact CB-CB 4.34Å; L442-W448 HydrophobicContact CB-CD2 4.31Å; L442-W448 HydrophobicContact CB-CE3 4.39Å; L442-W448 HydrophobicContact CB-CG 4.31Å; L442-W448 HydrophobicContact CD1-CE3 4.04Å; L442-W448 HydrophobicContact CD1-CZ3 4.09Å; L442-W448 HydrophobicContact CD2-CD2 4.36Å; L442-W448 HydrophobicContact CD2-CZ2 4.48Å; L442-W448 PolarHBondContact O-N 2.93Å; L442-I453 HydrophobicContact CB-CD1 4.45Å; L442-F460 HydrophobicContact CD1-CZ 4.46Å
443	A	90.6	Very high	92.6	Very high	16 Å²	16	38.2 Å²	38.2	13%	0.132	21%	0.206	C	C	.	.	H	α-helix	trans	-67.4	-47.3	176.9	0	0	0	0	0	112.1	P307 T439 W440 F441 K447 I453	P307-A443 HydrophobicContact CG-CB 4.2Å; T439-A443 WeakPolarHBondContact O-CB 2.96Å; T439-A443 PolarHBondContact O-N 3.37Å; W440-A443 PolarHBondContact O-N 3.44Å; F441-A443 VanDerWaalsContact C-N 3.34Å; F441-A443 PolarHBondContact O-N 3.42Å; A443-K447 WeakPolarHBondContact O-CA 3.26Å; A443-I453 HydrophobicContact CB-CD1 4.11Å
444	A	87.1	Confident	92.4	Very high	5 Å²	5	40.6 Å²	40.6	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-77.3	-48.9	-176.2	0	0	0	0	0	112.7	W440 F441 I529 I547	W440-A444 VanDerWaalsContact O-CB 3.28Å; W440-A444 WeakPolarHBondContact O-CB 3.44Å; W440-A444 PolarHBondContact O-N 3.4Å; F441-A444 PolarHBondContact O-N 3.48Å; A444-I529 WeakPolarHBondContact O-CD1 3.37Å; A444-I547 HydrophobicContact CB-CD1 4.45Å; A444-I547 HydrophobicContact CB-CG2 4.12Å
445	G	85.8	Confident	92.2	Very high	24 Å²	24	42.5 Å²	42.5	25%	0.247	23%	0.232	C	C	.	.	H	α-helix	trans	-88.2	-42.4	-173.4	0	0	0	0	0	115	F441 S525	F441-G445 WeakPolarHBondContact O-CA 3.45Å; F441-G445 PolarHBondContact O-N 3.38Å; G445-S525 VanDerWaalsContact CA-CB 3.45Å
446	L	88.4	Confident	92	Very high	92 Å²	92	46.4 Å²	46.4	48%	0.482	25%	0.249	S	C	.	.	S	Bend	trans	-96.8	1.3	-178.6	-56.3	-171.9	0	0	0	113.3	F441 L442 W448	F441-L446 HydrophobicContact CE1-CG 4.43Å; L442-L446 HydrophobicContact CD2-CD1 3.61Å; L442-L446 HydrophobicContact CD2-CG 4.39Å; L442-L446 CarbonylContact O-C 3.18Å; L442-L446 WeakPolarHBondContact O-CA 3.41Å; L442-L446 WeakPolarHBondContact O-CB 3.25Å; L442-L446 PolarHBondContact O-N 3.13Å; L446-W448 HydrophobicContact CB-CG 4.39Å; L446-W448 PolarHBondContact O-N 3.48Å
447	K	86.8	Confident	91.8	Very high	156 Å²	156	47.2 Å²	47.2	68%	0.678	26%	0.255	S	S	*	.			trans	56.2	30.9	-179.4	-55.5	-179.4	177.9	-178.3	0	113.1	L442 A443 G449	L442-K447 PolarHBondContact O-N 2.97Å; A443-K447 WeakPolarHBondContact O-CA 3.26Å; K447-G449 PolarHBondContact O-N 3.36Å
448	W	90.9	Very high	91.6	Very high	98 Å²	98	51.7 Å²	51.7	37%	0.371	28%	0.275	S	S	.	.			trans	-68	130.3	177.3	-75.8	25.1	0	0	0	110.4	L442 L446 A452 I453 K456	L442-W448 HydrophobicContact CB-CB 4.34Å; L442-W448 HydrophobicContact CB-CD2 4.31Å; L442-W448 HydrophobicContact CB-CE3 4.39Å; L442-W448 HydrophobicContact CB-CG 4.31Å; L442-W448 HydrophobicContact CD1-CE3 4.04Å; L442-W448 HydrophobicContact CD1-CZ3 4.09Å; L442-W448 HydrophobicContact CD2-CD2 4.36Å; L442-W448 HydrophobicContact CD2-CZ2 4.48Å; L442-W448 PolarHBondContact O-N 2.93Å; L446-W448 HydrophobicContact CB-CG 4.39Å; L446-W448 PolarHBondContact O-N 3.48Å; W448-A452 HydrophobicContact CB-CB 4.36Å; W448-A452 HydrophobicContact CD2-CB 4.46Å; W448-A452 HydrophobicContact CE3-CB 4.26Å; W448-I453 HydrophobicContact CB-CD1 4.28Å; W448-I453 HydrophobicContact CB-CG1 3.91Å; W448-I453 HydrophobicContact CE3-CG1 4.04Å; W448-K456 HydrophobicContact CZ3-CG 4.25Å
449	G	88	Confident	91.5	Very high	43 Å²	43	56.5 Å²	56.5	44%	0.443	29%	0.291	S	S	.	.			trans	-73.1	163.6	170.7	0	0	0	0	0	111.9	K447 E451 A452 I453	K447-G449 PolarHBondContact O-N 3.36Å; G449-E451 VanDerWaalsContact C-N 3.3Å; G449-E451 PolarHBondContact O-N 3.13Å; G449-A452 WeakPolarHBondContact O-CB 3.46Å; G449-A452 PolarHBondContact O-N 2.69Å; G449-A452 VanDerWaalsContact O-N 3.1Å; G449-I453 PolarHBondContact O-N 2.88Å
450	H	89.3	Confident	91.5	Very high	61 Å²	61	57.7 Å²	57.7	28%	0.282	30%	0.296	S	S	.	.	H	α-helix	trans	-56.7	-39.7	-179.8	73.4	-51.9	0	0	0	113.6	R305 Y306 A452 I453 E454	R305-H450 WeakPolarHBondContact CD-CD2 3.44Å; R305-H450 PolarHBondContact NH1-NE2 3.31Å; R305-H450 VanDerWaalsContact NH1-NE2 3.12Å; Y306-H450 VanDerWaalsContact O-CB 3.29Å; Y306-H450 WeakPolarHBondContact O-CB 3.49Å; H450-A452 PolarHBondContact O-N 3.46Å; H450-I453 PolarHBondContact O-N 3.41Å; H450-E454 VanDerWaalsContact O-CB 3.24Å; H450-E454 WeakPolarHBondContact O-CB 3.36Å; H450-E454 PolarHBondContact O-N 3.03Å
451	E	92.1	Very high	91.4	Very high	141 Å²	141	57.8 Å²	57.8	66%	0.659	30%	0.297	S	S	*	.	H	α-helix	trans	-62.1	-40.1	176	-72.3	167.5	-156.8	0	0	112.6	G449 E454 S455	G449-E451 VanDerWaalsContact C-N 3.3Å; G449-E451 PolarHBondContact O-N 3.13Å; E451-E454 PolarHBondContact O-N 3.4Å; E451-S455 WeakPolarHBondContact O-CB 3.2Å; E451-S455 PolarHBondContact O-N 3.37Å
452	A	94.1	Very high	91.3	Very high	41 Å²	41	61.4 Å²	61.4	34%	0.339	32%	0.318	S	S	.	.	H	α-helix	trans	-65.6	-43.4	178.7	0	0	0	0	0	111	W448 G449 H450 S455	W448-A452 HydrophobicContact CB-CB 4.36Å; W448-A452 HydrophobicContact CD2-CB 4.46Å; W448-A452 HydrophobicContact CE3-CB 4.26Å; G449-A452 WeakPolarHBondContact O-CB 3.46Å; G449-A452 PolarHBondContact O-N 2.69Å; G449-A452 VanDerWaalsContact O-N 3.1Å; H450-A452 PolarHBondContact O-N 3.46Å; A452-S455 PolarHBondContact O-OG 3.37Å
453	I	94.5	Very high	91.2	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-66.5	-44.6	175.9	-60.2	174	0	0	0	110.4	Y306 T439 L442 A443 W448 G449 H450 S455 K456 S457 F460	Y306-I453 HydrophobicContact CD1-CG2 3.84Å; Y306-I453 HydrophobicContact CG-CG2 3.83Å; T439-I453 HydrophobicContact CG2-CG2 3.66Å; L442-I453 HydrophobicContact CB-CD1 4.45Å; A443-I453 HydrophobicContact CB-CD1 4.11Å; W448-I453 HydrophobicContact CB-CD1 4.28Å; W448-I453 HydrophobicContact CB-CG1 3.91Å; W448-I453 HydrophobicContact CE3-CG1 4.04Å; G449-I453 PolarHBondContact O-N 2.88Å; H450-I453 PolarHBondContact O-N 3.41Å; I453-S455 VanDerWaalsContact C-N 3.29Å; I453-S455 PolarHBondContact O-N 2.89Å; I453-K456 PolarHBondContact O-N 3.49Å; I453-S457 PolarHBondContact O-N 3.45Å; I453-F460 HydrophobicContact CG2-CE2 3.76Å; I453-F460 HydrophobicContact CG2-CZ 4.31Å
454	E	92.3	Very high	91.4	Very high	52 Å²	52	63 Å²	63	24%	0.243	33%	0.327	C	S	.	.	H	α-helix	trans	-63.2	-34.4	-179.5	-174.9	157.8	-149.2	0	0	112.4	Y306 R309 H450 E451 K456 S457	Y306-E454 HydrophobicContact CD2-CB 3.98Å; Y306-E454 HydrophobicContact CD2-CG 4.23Å; Y306-E454 HydrophobicContact CE2-CG 4.49Å; R309-E454 IonicContact NH1-OE1 3.36Å; R309-E454 PolarHBondContact NH1-OE1 3.13Å; H450-E454 VanDerWaalsContact O-CB 3.24Å; H450-E454 WeakPolarHBondContact O-CB 3.36Å; H450-E454 PolarHBondContact O-N 3.03Å; E451-E454 PolarHBondContact O-N 3.4Å; E454-K456 PolarHBondContact O-N 2.93Å; E454-K456 VanDerWaalsContact O-N 3.1Å; E454-S457 WeakPolarHBondContact O-CB 3.39Å; E454-S457 PolarHBondContact O-N 2.67Å; E454-S457 PolarHBondContact O-OG 3.13Å
455	S	93.8	Very high	91.8	Very high	64 Å²	64	63.6 Å²	63.6	45%	0.448	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.6	174	80.5	0	0	0	0	113.8	E451 A452 I453 H458	E451-S455 WeakPolarHBondContact O-CB 3.2Å; E451-S455 PolarHBondContact O-N 3.37Å; A452-S455 PolarHBondContact O-OG 3.37Å; I453-S455 VanDerWaalsContact C-N 3.29Å; I453-S455 PolarHBondContact O-N 2.89Å; S455-H458 PolarHBondContact O-CE1 3.14Å; S455-H458 PolarHBondContact O-ND1 2.99Å
456	K	93.6	Very high	92	Very high	88 Å²	88	63.8 Å²	63.8	38%	0.383	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	5.7	178.1	-59.5	-59.5	-177.4	179.3	0	113.5	W448 I453 E454 H458 Y459 F460	W448-K456 HydrophobicContact CZ3-CG 4.25Å; I453-K456 PolarHBondContact O-N 3.49Å; E454-K456 PolarHBondContact O-N 2.93Å; E454-K456 VanDerWaalsContact O-N 3.1Å; K456-H458 PolarHBondContact O-N 3.27Å; K456-H458 VanDerWaalsContact O-N 3.16Å; K456-Y459 HydrophobicContact CB-CD2 4.32Å; K456-Y459 HydrophobicContact CD-CD2 4.14Å; K456-Y459 HydrophobicContact CD-CE2 4.04Å; K456-Y459 PolarHBondContact O-N 3.28Å; K456-F460 HydrophobicContact CB-CE2 4.48Å; K456-F460 HydrophobicContact CB-CZ 4.36Å
457	S	91.9	Very high	92.2	Very high	18 Å²	18	63.3 Å²	63.3	13%	0.126	33%	0.327	C	S	.	.	H	α-helix	trans	-56	-33.5	-175.8	57.6	0	0	0	0	114.6	Y306 I453 E454 Y459 F460 H461	Y306-S457 WeakPolarHBondContact OH-CB 3.39Å; I453-S457 PolarHBondContact O-N 3.45Å; E454-S457 WeakPolarHBondContact O-CB 3.39Å; E454-S457 PolarHBondContact O-N 2.67Å; E454-S457 PolarHBondContact O-OG 3.13Å; S457-Y459 VanDerWaalsContact C-N 3.27Å; S457-Y459 PolarHBondContact O-N 3.04Å; S457-F460 WeakPolarHBondContact O-CB 3.32Å; S457-F460 PolarHBondContact O-N 2.84Å; S457-F460 VanDerWaalsContact O-N 3.07Å; S457-H461 PolarHBondContact O-CD2 3.11Å; S457-H461 VanDerWaalsContact O-CD2 3.31Å; S457-H461 PolarHBondContact O-N 3.44Å
458	H	90.9	Very high	92.6	Very high	94 Å²	94	55.9 Å²	55.9	44%	0.435	30%	0.295	S	S	.	.	H	α-helix	trans	-59.1	-35.6	177.5	59.2	-85.3	0	0	0	112.7	S455 K456 L462	S455-H458 PolarHBondContact O-CE1 3.14Å; S455-H458 PolarHBondContact O-ND1 2.99Å; K456-H458 PolarHBondContact O-N 3.27Å; K456-H458 VanDerWaalsContact O-N 3.16Å; H458-L462 VanDerWaalsContact O-CB 3.25Å; H458-L462 WeakPolarHBondContact O-CB 3.47Å; H458-L462 PolarHBondContact O-N 3.11Å
459	Y	94.1	Very high	92.7	Very high	128 Å²	128	51.8 Å²	51.8	50%	0.502	28%	0.282	S	S	.	.	H	α-helix	trans	-66.5	-42	173.9	-67.1	-67.6	0	0	0	111.8	K456 S457 L462 T463	K456-Y459 HydrophobicContact CB-CD2 4.32Å; K456-Y459 HydrophobicContact CD-CD2 4.14Å; K456-Y459 HydrophobicContact CD-CE2 4.04Å; K456-Y459 PolarHBondContact O-N 3.28Å; S457-Y459 VanDerWaalsContact C-N 3.27Å; S457-Y459 PolarHBondContact O-N 3.04Å; Y459-L462 PolarHBondContact O-N 3.36Å; Y459-T463 WeakPolarHBondContact O-CG2 3.12Å; Y459-T463 PolarHBondContact O-N 3.49Å; Y459-T463 PolarHBondContact O-OG1 3.01Å; Y459-T463 VanDerWaalsContact O-OG1 3.1Å
460	F	94.6	Very high	92.9	Very high	24 Å²	24	54.1 Å²	54.1	11%	0.105	29%	0.288	C	S	.	.	H	α-helix	trans	-64.3	-42.1	178.7	-54	-38.1	0	0	0	112.1	Y306 V435 V438 T439 L442 I453 K456 S457 T463 A464	Y306-F460 AromaticContact CE1-CD2 3.99Å; Y306-F460 HydrophobicContact CE1-CD2 3.99Å; Y306-F460 HydrophobicContact CE1-CE2 4.46Å; V435-F460 HydrophobicContact CG1-CB 3.79Å; V435-F460 HydrophobicContact CG1-CD1 4.21Å; V435-F460 HydrophobicContact CG1-CD2 4.28Å; V435-F460 HydrophobicContact CG1-CG 3.85Å; V435-F460 HydrophobicContact CG2-CB 4.17Å; V438-F460 HydrophobicContact CG1-CE1 4.43Å; T439-F460 HydrophobicContact CG2-CD2 4.21Å; T439-F460 HydrophobicContact CG2-CE2 3.73Å; T439-F460 HydrophobicContact CG2-CZ 3.9Å; L442-F460 HydrophobicContact CD1-CZ 4.46Å; I453-F460 HydrophobicContact CG2-CE2 3.76Å; I453-F460 HydrophobicContact CG2-CZ 4.31Å; K456-F460 HydrophobicContact CB-CE2 4.48Å; K456-F460 HydrophobicContact CB-CZ 4.36Å; S457-F460 WeakPolarHBondContact O-CB 3.32Å; S457-F460 PolarHBondContact O-N 2.84Å; S457-F460 VanDerWaalsContact O-N 3.07Å; F460-T463 PolarHBondContact O-OG1 3.01Å; F460-T463 VanDerWaalsContact O-OG1 3.06Å; F460-A464 WeakPolarHBondContact O-CB 3.22Å; F460-A464 PolarHBondContact O-N 2.76Å
461	H	92.5	Very high	93.1	Very high	3 Å²	3	53.1 Å²	53.1	1%	0.014	28%	0.284	C	S	.	.	H	α-helix	trans	-69.1	-41	177.2	-80.2	-76.3	0	0	0	112.2	F27 Y306 W432 S457 T463 W465	F27-H461 HydrophobicContact CD1-CB 3.61Å; F27-H461 AromaticContact CD1-CG 3.84Å; F27-H461 AromaticContact CD1-ND1 3.93Å; F27-H461 HydrophobicContact CD2-CB 4.21Å; F27-H461 AromaticContact CD2-CD2 3.73Å; F27-H461 AromaticContact CD2-CE1 3.57Å; F27-H461 AromaticContact CD2-CG 3.56Å; F27-H461 AromaticContact CD2-ND1 3.46Å; F27-H461 WeakPolarHBondContact CD2-ND1 3.34Å; F27-H461 AromaticContact CD2-NE2 3.76Å; F27-H461 HydrophobicContact CE1-CB 3.49Å; F27-H461 VanDerWaalsContact CE1-CB 3.49Å; F27-H461 AromaticContact CE1-CG 3.94Å; F27-H461 HydrophobicContact CE2-CB 4.1Å; F27-H461 AromaticContact CE2-CD2 3.58Å; F27-H461 AromaticContact CE2-CG 3.66Å; F27-H461 AromaticContact CE2-NE2 3.96Å; F27-H461 HydrophobicContact CG-CB 3.97Å; F27-H461 AromaticContact CG-CE1 3.9Å; F27-H461 AromaticContact CG-CG 3.64Å; F27-H461 AromaticContact CG-ND1 3.37Å; F27-H461 WeakPolarHBondContact CG-ND1 3.45Å; F27-H461 HydrophobicContact CZ-CB 3.75Å; F27-H461 AromaticContact CZ-CG 3.85Å; Y306-H461 PolarHBondContact OH-NE2 2.97Å; W432-H461 AromaticContact CH2-CE1 3.44Å; W432-H461 VanDerWaalsContact CH2-CE1 3.44Å; W432-H461 WeakPolarHBondContact CH2-CE1 3.14Å; W432-H461 AromaticContact CH2-CG 3.93Å; W432-H461 AromaticContact CH2-ND1 3.37Å; W432-H461 WeakPolarHBondContact CH2-ND1 3.31Å; W432-H461 AromaticContact CZ2-CE1 3.88Å; W432-H461 AromaticContact CZ2-ND1 3.56Å; S457-H461 PolarHBondContact O-CD2 3.11Å; S457-H461 VanDerWaalsContact O-CD2 3.31Å; S457-H461 PolarHBondContact O-N 3.44Å; H461-T463 VanDerWaalsContact C-N 3.35Å; H461-T463 PolarHBondContact O-N 2.7Å; H461-W465 AromaticContact ND1-NE1 3.62Å; H461-W465 WeakPolarHBondContact O-CB 3.33Å; H461-W465 PolarHBondContact O-N 3.42Å; H461-W465 VanDerWaalsContact O-N 3.11Å
462	L	91.8	Very high	93.1	Very high	121 Å²	121	46.5 Å²	46.5	63%	0.634	25%	0.253	S	S	*	.	H	α-helix	trans	-60.5	-44.3	177.1	179.8	63.9	0	0	0	111.4	H458 Y459 G466	H458-L462 VanDerWaalsContact O-CB 3.25Å; H458-L462 WeakPolarHBondContact O-CB 3.47Å; H458-L462 PolarHBondContact O-N 3.11Å; Y459-L462 PolarHBondContact O-N 3.36Å; L462-G466 VanDerWaalsContact O-CA 3.27Å; L462-G466 WeakPolarHBondContact O-CA 2.91Å; L462-G466 PolarHBondContact O-N 3.44Å
463	T	93.1	Very high	92.9	Very high	71 Å²	71	49.3 Å²	49.3	44%	0.436	26%	0.261	S	S	.	.	H	α-helix	trans	-71.1	-45.8	179.2	55.3	0	0	0	0	112.1	Y459 F460 H461 W465 L467	Y459-T463 WeakPolarHBondContact O-CG2 3.12Å; Y459-T463 PolarHBondContact O-N 3.49Å; Y459-T463 PolarHBondContact O-OG1 3.01Å; Y459-T463 VanDerWaalsContact O-OG1 3.1Å; F460-T463 PolarHBondContact O-OG1 3.01Å; F460-T463 VanDerWaalsContact O-OG1 3.06Å; H461-T463 VanDerWaalsContact C-N 3.35Å; H461-T463 PolarHBondContact O-N 2.7Å; T463-W465 VanDerWaalsContact C-N 3.29Å; T463-W465 PolarHBondContact O-N 3.1Å; T463-L467 WeakPolarHBondContact O-CB 3.39Å; T463-L467 PolarHBondContact O-N 2.87Å; T463-L467 VanDerWaalsContact O-N 3.13Å
464	A	94.6	Very high	92.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.9	-27.1	-175.9	0	0	0	0	0	114.2	V431 W432 F460 P468	V431-A464 HydrophobicContact CB-CB 4.41Å; V431-A464 HydrophobicContact CG1-CB 3.98Å; W432-A464 HydrophobicContact CD2-CB 3.77Å; W432-A464 VanDerWaalsContact CE2-CB 3.42Å; W432-A464 HydrophobicContact CE3-CB 4.29Å; W432-A464 HydrophobicContact CG-CB 4.2Å; W432-A464 HydrophobicContact CH2-CB 4.16Å; W432-A464 HydrophobicContact CZ2-CB 3.65Å; W432-A464 HydrophobicContact CZ3-CB 4.48Å; F460-A464 WeakPolarHBondContact O-CB 3.22Å; F460-A464 PolarHBondContact O-N 2.76Å; A464-P468 VanDerWaalsContact O-CD 3.3Å; A464-P468 WeakPolarHBondContact O-CD 3.47Å; A464-P468 WeakPolarHBondContact O-CG 3.18Å
465	W	94.5	Very high	92.6	Very high	17 Å²	17	50 Å²	50	6%	0.064	27%	0.269	C	S	.	.	H	α-helix	trans	-103.7	-31.4	177.2	-59.9	128.6	0	0	0	113.7	A31 Y424 F425 A428 W432 H461 T463 A469	A31-W465 HydrophobicContact CB-CD2 3.84Å; A31-W465 HydrophobicContact CB-CE3 3.7Å; A31-W465 HydrophobicContact CB-CG 4.39Å; A31-W465 HydrophobicContact CB-CH2 4.35Å; A31-W465 HydrophobicContact CB-CZ2 4.47Å; A31-W465 HydrophobicContact CB-CZ3 3.97Å; Y424-W465 AromaticContact CE1-CE3 3.85Å; Y424-W465 HydrophobicContact CE1-CE3 3.85Å; Y424-W465 HydrophobicContact CE1-CZ3 4.05Å; Y424-W465 PolarHBondContact OH-O 3.46Å; F425-W465 HydrophobicContact CD1-CZ3 4.45Å; F425-W465 HydrophobicContact CE1-CZ3 4.22Å; A428-W465 HydrophobicContact CB-CE3 3.98Å; A428-W465 HydrophobicContact CB-CZ3 3.67Å; W432-W465 AromaticContact CE2-CZ2 3.88Å; W432-W465 AromaticContact CZ2-CE2 3.8Å; W432-W465 AromaticContact CZ2-CZ2 3.93Å; W432-W465 HydrophobicContact CZ2-CZ2 3.93Å; W432-W465 AromaticContact CZ2-NE1 3.67Å; W432-W465 AromaticContact NE1-CE2 3.64Å; W432-W465 AromaticContact NE1-CH2 3.42Å; W432-W465 AromaticContact NE1-CZ2 3.28Å; W432-W465 VanDerWaalsContact NE1-CZ2 3.28Å; W432-W465 AromaticContact NE1-CZ3 3.89Å; H461-W465 AromaticContact ND1-NE1 3.62Å; H461-W465 WeakPolarHBondContact O-CB 3.33Å; H461-W465 PolarHBondContact O-N 3.42Å; H461-W465 VanDerWaalsContact O-N 3.11Å; T463-W465 VanDerWaalsContact C-N 3.29Å; T463-W465 PolarHBondContact O-N 3.1Å; W465-A469 WeakPolarHBondContact O-CB 3.22Å; W465-A469 PolarHBondContact O-N 2.6Å
466	G	90.6	Very high	92.3	Very high	27 Å²	27	47.4 Å²	47.4	28%	0.278	25%	0.25	S	S	.	.	H	α-helix	trans	-73.9	-43.6	-178.8	0	0	0	0	0	113.1	L462 A469 V470	L462-G466 VanDerWaalsContact O-CA 3.27Å; L462-G466 WeakPolarHBondContact O-CA 2.91Å; L462-G466 PolarHBondContact O-N 3.44Å; G466-A469 WeakPolarHBondContact O-CB 3.39Å; G466-A469 PolarHBondContact O-N 3.35Å; G466-V470 WeakPolarHBondContact O-CG2 3.5Å; G466-V470 PolarHBondContact O-N 3.16Å
467	L	93.3	Very high	92	Very high	82 Å²	82	46.4 Å²	46.4	43%	0.429	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-48.1	-178.8	-175.2	156.1	0	0	0	112.4	I427 V431 T463 A469 V470 L471	I427-L467 HydrophobicContact CG2-CD2 3.83Å; V431-L467 HydrophobicContact CG2-CD2 4.17Å; T463-L467 WeakPolarHBondContact O-CB 3.39Å; T463-L467 PolarHBondContact O-N 2.87Å; T463-L467 VanDerWaalsContact O-N 3.13Å; L467-A469 VanDerWaalsContact C-N 3.27Å; L467-A469 PolarHBondContact O-N 3.32Å; L467-V470 PolarHBondContact O-N 3.4Å; L467-L471 HydrophobicContact CD2-CD1 3.74Å; L467-L471 HydrophobicContact CD2-CG 4.43Å; L467-L471 PolarHBondContact O-N 3.29Å; L467-L471 VanDerWaalsContact O-N 3.16Å
468	P	95.1	Very high	91.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60	-35.5	173	-21.9	31.4	0	0	0	113.4	Y424 I427 A428 A464 L471 M472	Y424-P468 HydrophobicContact CD2-CB 3.74Å; Y424-P468 HydrophobicContact CE2-CB 3.74Å; Y424-P468 HydrophobicContact CG-CB 4.24Å; I427-P468 HydrophobicContact CB-CB 4.06Å; I427-P468 HydrophobicContact CB-CG 4.2Å; I427-P468 HydrophobicContact CG2-CB 4.06Å; I427-P468 HydrophobicContact CG2-CG 3.87Å; A428-P468 HydrophobicContact CB-CB 4.35Å; A428-P468 HydrophobicContact CB-CG 3.77Å; A464-P468 VanDerWaalsContact O-CD 3.3Å; A464-P468 WeakPolarHBondContact O-CD 3.47Å; A464-P468 WeakPolarHBondContact O-CG 3.18Å; P468-L471 PolarHBondContact O-N 3.36Å; P468-M472 VanDerWaalsContact O-CB 3.29Å; P468-M472 WeakPolarHBondContact O-CB 3.27Å; P468-M472 PolarHBondContact O-N 3.09Å
469	A	91.7	Very high	91.3	Very high	12 Å²	12	47.8 Å²	47.8	10%	0.099	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-46.4	179	0	0	0	0	0	111.8	V34 Y424 W465 G466 L467 M472 I473	V34-A469 HydrophobicContact CG1-CB 3.57Å; Y424-A469 HydrophobicContact CE2-CB 3.93Å; W465-A469 WeakPolarHBondContact O-CB 3.22Å; W465-A469 PolarHBondContact O-N 2.6Å; G466-A469 WeakPolarHBondContact O-CB 3.39Å; G466-A469 PolarHBondContact O-N 3.35Å; L467-A469 VanDerWaalsContact C-N 3.27Å; L467-A469 PolarHBondContact O-N 3.32Å; A469-M472 PolarHBondContact O-N 3.25Å; A469-I473 VanDerWaalsContact O-CG1 3.29Å; A469-I473 WeakPolarHBondContact O-CG1 3.45Å; A469-I473 PolarHBondContact O-N 3.4Å
470	V	92.4	Very high	90.8	Very high	93 Å²	93	42.7 Å²	42.7	56%	0.564	25%	0.25	S	C	*	.	H	α-helix	trans	-61.1	-48.1	177.5	173.4	0	0	0	0	110.2	G466 L467 M472 I473 V474	G466-V470 WeakPolarHBondContact O-CG2 3.5Å; G466-V470 PolarHBondContact O-N 3.16Å; L467-V470 PolarHBondContact O-N 3.4Å; V470-M472 VanDerWaalsContact C-N 3.35Å; V470-M472 PolarHBondContact O-N 2.78Å; V470-I473 PolarHBondContact O-N 3.39Å; V470-V474 WeakPolarHBondContact O-CG2 3.32Å; V470-V474 PolarHBondContact O-N 3.36Å; V470-V474 VanDerWaalsContact O-N 3.13Å
471	L	93.4	Very high	90.6	Very high	40 Å²	40	41.5 Å²	41.5	21%	0.209	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-41.5	178.5	-70.5	178.3	0	0	0	112.4	Y423 I427 L467 P468 I473 V474 V475 P507	Y423-L471 HydrophobicContact CE1-CB 3.96Å; I427-L471 HydrophobicContact CG2-CD1 4.04Å; L467-L471 HydrophobicContact CD2-CD1 3.74Å; L467-L471 HydrophobicContact CD2-CG 4.43Å; L467-L471 PolarHBondContact O-N 3.29Å; L467-L471 VanDerWaalsContact O-N 3.16Å; P468-L471 PolarHBondContact O-N 3.36Å; L471-I473 PolarHBondContact O-N 3.35Å; L471-V474 PolarHBondContact O-N 2.92Å; L471-V475 WeakPolarHBondContact O-CG2 3.37Å; L471-V475 PolarHBondContact O-N 3.29Å; L471-P507 HydrophobicContact CD1-CB 4.14Å; L471-P507 HydrophobicContact CD1-CG 4.09Å
472	M	92.1	Very high	90.5	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-42.8	176.5	-179.5	-170	72.6	0	0	112.2	V34 I420 Y423 Y424 P468 A469 V470 V474 V475 L476	V34-M472 HydrophobicContact CG1-CE 4.24Å; I420-M472 HydrophobicContact CB-CG 4.09Å; I420-M472 HydrophobicContact CB-SD 4.1Å; I420-M472 HydrophobicContact CG2-CG 4.31Å; Y423-M472 HydrophobicContact CD1-CB 4.38Å; Y424-M472 HydrophobicContact CD2-CB 4.4Å; Y424-M472 HydrophobicContact CD2-SD 3.96Å; Y424-M472 HydrophobicContact CG-SD 4.4Å; P468-M472 VanDerWaalsContact O-CB 3.29Å; P468-M472 WeakPolarHBondContact O-CB 3.27Å; P468-M472 PolarHBondContact O-N 3.09Å; A469-M472 PolarHBondContact O-N 3.25Å; V470-M472 VanDerWaalsContact C-N 3.35Å; V470-M472 PolarHBondContact O-N 2.78Å; M472-V474 VanDerWaalsContact C-N 3.31Å; M472-V474 PolarHBondContact O-N 2.95Å; M472-V475 PolarHBondContact O-N 2.86Å; M472-L476 HydrophobicContact CG-CD1 4.39Å; M472-L476 PolarHBondContact O-N 2.81Å
473	I	90.4	Very high	90.5	Very high	100 Å²	100	36.3 Å²	36.3	51%	0.513	22%	0.218	S	C	.	.	H	α-helix	trans	-61.6	-41.9	177	-68.7	163.5	0	0	0	110.4	A469 V470 L471 L476 A477	A469-I473 VanDerWaalsContact O-CG1 3.29Å; A469-I473 WeakPolarHBondContact O-CG1 3.45Å; A469-I473 PolarHBondContact O-N 3.4Å; V470-I473 PolarHBondContact O-N 3.39Å; L471-I473 PolarHBondContact O-N 3.35Å; I473-L476 PolarHBondContact O-N 2.54Å; I473-A477 PolarHBondContact O-N 3.37Å
474	V	90.9	Very high	90.6	Very high	64 Å²	64	33.2 Å²	33.2	39%	0.388	20%	0.199	S	C	.	.	H	α-helix	trans	-64.9	-44.1	177.5	-178.9	0	0	0	0	111	V470 L471 M472 L476 A477 T478 F503	V470-V474 WeakPolarHBondContact O-CG2 3.32Å; V470-V474 PolarHBondContact O-N 3.36Å; V470-V474 VanDerWaalsContact O-N 3.13Å; L471-V474 PolarHBondContact O-N 2.92Å; M472-V474 VanDerWaalsContact C-N 3.31Å; M472-V474 PolarHBondContact O-N 2.95Å; V474-L476 VanDerWaalsContact C-N 3.32Å; V474-L476 PolarHBondContact O-N 3.2Å; V474-A477 WeakPolarHBondContact O-CB 3.27Å; V474-A477 PolarHBondContact O-N 3.41Å; V474-A477 VanDerWaalsContact O-N 3.09Å; V474-T478 WeakPolarHBondContact O-CG2 3.33Å; V474-T478 PolarHBondContact O-N 3.1Å; V474-F503 HydrophobicContact CB-CE1 4.25Å; V474-F503 HydrophobicContact CG1-CE1 3.53Å; V474-F503 HydrophobicContact CG1-CZ 3.86Å
475	V	90.2	Very high	90.5	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-41.7	175.9	165.5	0	0	0	0	112.1	Y423 L471 M472 A477 T478 Q479 I481 V492 F503	Y423-V475 HydrophobicContact CE1-CG2 3.91Å; L471-V475 WeakPolarHBondContact O-CG2 3.37Å; L471-V475 PolarHBondContact O-N 3.29Å; M472-V475 PolarHBondContact O-N 2.86Å; V475-A477 VanDerWaalsContact C-N 3.3Å; V475-A477 PolarHBondContact O-N 3.21Å; V475-T478 PolarHBondContact O-N 2.01Å; V475-T478 PolarHBondContact O-OG1 2.81Å; V475-T478 VanDerWaalsContact O-OG1 3.14Å; V475-Q479 PolarHBondContact O-N 3.25Å; V475-I481 HydrophobicContact CG1-CG1 4.32Å; V475-V492 HydrophobicContact CG1-CB 4.31Å; V475-V492 HydrophobicContact CG1-CG1 3.74Å; V475-V492 HydrophobicContact CG1-CG2 3.57Å; V475-V492 HydrophobicContact CG2-CG1 3.95Å; V475-F503 HydrophobicContact CG2-CB 4.01Å; V475-F503 HydrophobicContact CG2-CD1 3.7Å; V475-F503 HydrophobicContact CG2-CD2 4.48Å; V475-F503 HydrophobicContact CG2-CE1 4.29Å; V475-F503 HydrophobicContact CG2-CG 3.81Å
476	L	87.7	Confident	90.5	Very high	11 Å²	11	33.6 Å²	33.6	6%	0.058	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-37.5	175.1	-78.8	170.1	0	0	0	111.7	Y41 A42 T416 I420 M472 I473 V474 Q479 I481	Y41-L476 HydrophobicContact CD1-CB 4.31Å; Y41-L476 HydrophobicContact CD1-CD1 4.28Å; Y41-L476 HydrophobicContact CE1-CB 4.24Å; A42-L476 HydrophobicContact CB-CD2 4.22Å; T416-L476 HydrophobicContact CG2-CD2 3.81Å; I420-L476 HydrophobicContact CG2-CD1 4.3Å; I420-L476 HydrophobicContact CG2-CD2 3.72Å; I420-L476 HydrophobicContact CG2-CG 3.96Å; M472-L476 HydrophobicContact CG-CD1 4.39Å; M472-L476 PolarHBondContact O-N 2.81Å; I473-L476 PolarHBondContact O-N 2.54Å; V474-L476 VanDerWaalsContact C-N 3.32Å; V474-L476 PolarHBondContact O-N 3.2Å; L476-Q479 PolarHBondContact O-N 3.33Å; L476-I481 HydrophobicContact CD2-CD1 4.32Å
477	A	85.8	Confident	90.7	Very high	66 Å²	66	32.4 Å²	32.4	55%	0.545	19%	0.19	S	C	.	.	H	α-helix	trans	-68.7	-31.7	177.3	0	0	0	0	0	113	I473 V474 V475 Q479	I473-A477 PolarHBondContact O-N 3.37Å; V474-A477 WeakPolarHBondContact O-CB 3.27Å; V474-A477 PolarHBondContact O-N 3.41Å; V474-A477 VanDerWaalsContact O-N 3.09Å; V475-A477 VanDerWaalsContact C-N 3.3Å; V475-A477 PolarHBondContact O-N 3.21Å; A477-Q479 VanDerWaalsContact C-N 3.33Å
478	T	85.1	Confident	90.6	Very high	62 Å²	62	28.5 Å²	28.5	38%	0.38	17%	0.169	S	C	.	.	H	α-helix	trans	-84	-6.6	176.5	65.5	0	0	0	0	113.7	V474 V475 S480 F503	V474-T478 WeakPolarHBondContact O-CG2 3.33Å; V474-T478 PolarHBondContact O-N 3.1Å; V475-T478 PolarHBondContact O-N 2.01Å; V475-T478 PolarHBondContact O-OG1 2.81Å; V475-T478 VanDerWaalsContact O-OG1 3.14Å; T478-S480 WeakPolarHBondContact CB-OG 3.35Å; T478-S480 PolarHBondContact O-N 2.84Å; T478-S480 PolarHBondContact O-OG 3.05Å; T478-S480 PolarHBondContact OG1-OG 2.95Å; T478-F503 HydrophobicContact CG2-CE2 4.18Å; T478-F503 HydrophobicContact CG2-CZ 3.87Å
479	Q	82.7	Confident	90.6	Very high	79 Å²	79	28.5 Å²	28.5	37%	0.369	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	26	-178.3	-60.6	179.2	-17.1	0	0	114.2	E245 G409 V475 L476 A477 I481	E245-Q479 PolarHBondContact OE1-OE1 2.79Å; E245-Q479 PolarHBondContact OE2-OE1 3.09Å; G409-Q479 WeakPolarHBondContact CA-O 3.34Å; V475-Q479 PolarHBondContact O-N 3.25Å; L476-Q479 PolarHBondContact O-N 3.33Å; A477-Q479 VanDerWaalsContact C-N 3.33Å; Q479-I481 VanDerWaalsContact C-N 3.27Å; Q479-I481 PolarHBondContact O-N 3.45Å
480	S	84.6	Confident	90.7	Very high	21 Å²	21	27.9 Å²	27.9	15%	0.147	16%	0.164	C	C	.	.			trans	-91.4	52.4	-169.6	-38.3	0	0	0	0	112.3	T478 G493	T478-S480 WeakPolarHBondContact CB-OG 3.35Å; T478-S480 PolarHBondContact O-N 2.84Å; T478-S480 PolarHBondContact O-OG 3.05Å; T478-S480 PolarHBondContact OG1-OG 2.95Å; S480-G493 PolarHBondContact O-N 3.04Å
481	I	90.1	Very high	90.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.2	180	-64.8	171.7	0	0	0	108.8	G409 T416 A419 I420 V475 L476 Q479 C490	G409-I481 WeakPolarHBondContact CA-O 3.3Å; G409-I481 PolarHBondContact N-O 3.38Å; T416-I481 HydrophobicContact CG2-CD1 3.87Å; A419-I481 HydrophobicContact CB-CD1 4.24Å; A419-I481 HydrophobicContact CB-CG1 4.35Å; A419-I481 HydrophobicContact CB-CG2 3.5Å; A419-I481 VanDerWaalsContact CB-CG2 3.5Å; I420-I481 HydrophobicContact CG2-CD1 4.11Å; V475-I481 HydrophobicContact CG1-CG1 4.32Å; L476-I481 HydrophobicContact CD2-CD1 4.32Å; Q479-I481 VanDerWaalsContact C-N 3.27Å; Q479-I481 PolarHBondContact O-N 3.45Å; I481-C490 HydrophobicContact CG2-CB 3.92Å
482	D	90.7	Very high	90.8	Very high	15 Å²	15	22.3 Å²	22.3	8%	0.08	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	156	179.3	-44.4	-68.6	0	0	0	112.6	R407 C490 S491 N494 W495	R407-D482 CarbonylContact O-C 3.6Å; R407-D482 WeakPolarHBondContact O-CA 3.24Å; D482-C490 CarbonylContact O-C 3.58Å; D482-C490 VanDerWaalsContact O-CA 3.23Å; D482-C490 WeakPolarHBondContact O-CA 2.97Å; D482-C490 WeakPolarHBondContact O-CB 3.25Å; D482-S491 PolarHBondContact N-O 2.8Å; D482-S491 PolarHBondContact O-N 2.67Å; D482-N494 HydrophobicContact CB-CB 4.49Å; D482-N494 PolarHBondContact OD2-N 3.28Å; D482-W495 PolarHBondContact OD2-N 2.9Å
483	G	91.9	Very high	90.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	132.3	172.8	0	0	0	0	0	112.8	I406 R407 W495	I406-G483 WeakPolarHBondContact CG2-O 3.46Å; R407-G483 PolarHBondContact O-N 3.43Å; G483-W495 PolarHBondContact O-NE1 2.68Å
484	D	94.3	Very high	90.8	Very high	6 Å²	6	18 Å²	18	3%	0.032	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	99.5	169.9	178.7	14.7	0	0	0	109.9	L486 S487 G488 I489 Y629	D484-L486 PolarHBondContact O-N 3.02Å; D484-L486 PolarHBondContact OD1-N 3.44Å; D484-S487 WeakPolarHBondContact CB-OG 3.5Å; D484-S487 PolarHBondContact O-N 2.88Å; D484-S487 PolarHBondContact O-OG 3.19Å; D484-S487 WeakPolarHBondContact OD2-CB 3.28Å; D484-S487 PolarHBondContact OD2-OG 3.37Å; D484-G488 PolarHBondContact O-N 3.29Å; D484-I489 PolarHBondContact N-O 3.17Å; D484-Y629 PolarHBondContact OD1-OH 3.24Å; D484-Y629 PolarHBondContact OD2-OH 3.41Å
485	V	92.9	Very high	90.7	Very high	13 Å²	13	16.1 Å²	16.1	8%	0.079	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-33.1	-176.4	-175.7	0	0	0	0	111.9	C262 V272 R276 I406	C262-V485 HydrophobicContact CB-CG2 4.39Å; V272-V485 HydrophobicContact CG1-CG1 4.35Å; R276-V485 PolarHBondContact NE-O 3.39Å; R276-V485 PolarHBondContact NH2-O 3.37Å; I406-V485 HydrophobicContact CD1-CG2 3.87Å; I406-V485 HydrophobicContact CG1-CG2 3.66Å
486	L	94.2	Very high	90.7	Very high	11 Å²	11	18.5 Å²	18.5	6%	0.058	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-41.2	-176.3	-71.1	178	0	0	0	112.7	F267 V272 V275 R276 D484 F625 Y629	F267-L486 HydrophobicContact CD2-CD1 4.25Å; F267-L486 HydrophobicContact CD2-CD2 3.79Å; F267-L486 HydrophobicContact CD2-CG 4.39Å; F267-L486 HydrophobicContact CE2-CD1 3.93Å; F267-L486 HydrophobicContact CE2-CD2 4.29Å; V272-L486 HydrophobicContact CG2-CD2 4.19Å; V275-L486 HydrophobicContact CB-CD2 4.31Å; V275-L486 HydrophobicContact CG1-CB 4.05Å; V275-L486 HydrophobicContact CG1-CD2 4.25Å; V275-L486 HydrophobicContact CG2-CD2 4.34Å; R276-L486 VanDerWaalsContact CG-O 3.27Å; R276-L486 WeakPolarHBondContact CG-O 3.44Å; D484-L486 PolarHBondContact O-N 3.02Å; D484-L486 PolarHBondContact OD1-N 3.44Å; L486-F625 HydrophobicContact CD1-CB 3.76Å; L486-F625 HydrophobicContact CD1-CD1 3.53Å; L486-F625 HydrophobicContact CD1-CE1 4.32Å; L486-F625 HydrophobicContact CD1-CG 3.74Å; L486-Y629 HydrophobicContact CB-CE2 4.01Å; L486-Y629 HydrophobicContact CD1-CE2 4.22Å
487	S	94.4	Very high	90.9	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.014	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-17.6	-179.7	61	0	0	0	0	113.8	D484 I489	D484-S487 WeakPolarHBondContact CB-OG 3.5Å; D484-S487 PolarHBondContact O-N 2.88Å; D484-S487 PolarHBondContact O-OG 3.19Å; D484-S487 WeakPolarHBondContact OD2-CB 3.28Å; D484-S487 PolarHBondContact OD2-OG 3.37Å; S487-I489 PolarHBondContact O-N 2.91Å; S487-I489 WeakPolarHBondContact OG-CG1 3.47Å
488	G	92.7	Very high	91.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	6.3	-177.3	0	0	0	0	0	114	R332 D484	R332-G488 WeakPolarHBondContact O-CA 3.32Å; D484-G488 PolarHBondContact O-N 3.29Å
489	I	94.1	Very high	91.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-170.4	175	64.4	165.8	0	0	0	110.7	V324 Y325 G328 A336 L418 E422 D484 S487	V324-I489 HydrophobicContact CG1-CD1 3.72Å; V324-I489 HydrophobicContact CG1-CG2 4.05Å; Y325-I489 HydrophobicContact CD1-CD1 4.29Å; Y325-I489 HydrophobicContact CE1-CD1 3.94Å; G328-I489 VanDerWaalsContact CA-CG2 3.48Å; A336-I489 WeakPolarHBondContact CB-O 3.45Å; L418-I489 HydrophobicContact CD1-CG2 4.2Å; E422-I489 HydrophobicContact CB-CD1 4.47Å; E422-I489 HydrophobicContact CG-CD1 4.2Å; D484-I489 PolarHBondContact N-O 3.17Å; S487-I489 PolarHBondContact O-N 2.91Å; S487-I489 WeakPolarHBondContact OG-CG1 3.47Å
490	C	94	Very high	92	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	156.1	167.3	-61.8	0	0	0	0	110.5	C415 A419 I481 D482	C415-C490 WeakPolarHBondContact CA-SG 3.42Å; C415-C490 HydrophobicContact CB-CB 4.01Å; C415-C490 WeakPolarHBondContact CB-SG 2.9Å; C415-C490 WeakPolarHBondContact O-CB 3.34Å; C415-C490 WeakPolarHBondContact SG-CB 3.32Å; C415-C490 CovalentContact SG-SG 2.01Å; C415-C490 PolarHBondContact SG-SG 2.9Å; A419-C490 VanDerWaalsContact CA-O 3.28Å; A419-C490 WeakPolarHBondContact CA-O 3.02Å; A419-C490 HydrophobicContact CB-CB 3.97Å; A419-C490 WeakPolarHBondContact CB-O 3.38Å; I481-C490 HydrophobicContact CG2-CB 3.92Å; D482-C490 CarbonylContact O-C 3.58Å; D482-C490 VanDerWaalsContact O-CA 3.23Å; D482-C490 WeakPolarHBondContact O-CA 2.97Å; D482-C490 WeakPolarHBondContact O-CB 3.25Å
491	S	94.8	Very high	92.6	Very high	12 Å²	12	17 Å²	17	8%	0.084	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	161.5	-177.7	-56.9	0	0	0	0	111.1	D482 G493	D482-S491 PolarHBondContact N-O 2.8Å; D482-S491 PolarHBondContact O-N 2.67Å; S491-G493 PolarHBondContact O-N 2.98Å
492	V	94.1	Very high	92.8	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.024	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	121.7	-177.9	-176.1	0	0	0	0	110.6	Y423 V475 N494 T499 F503 V504	Y423-V492 HydrophobicContact CD2-CB 4.28Å; Y423-V492 HydrophobicContact CD2-CG2 3.75Å; Y423-V492 HydrophobicContact CE2-CG2 4.4Å; Y423-V492 HydrophobicContact CG-CG2 3.88Å; V475-V492 HydrophobicContact CG1-CB 4.31Å; V475-V492 HydrophobicContact CG1-CG1 3.74Å; V475-V492 HydrophobicContact CG1-CG2 3.57Å; V475-V492 HydrophobicContact CG2-CG1 3.95Å; V492-N494 PolarHBondContact O-N 3.41Å; V492-T499 HydrophobicContact CG1-CG2 3.93Å; V492-F503 HydrophobicContact CG1-CB 4.06Å; V492-V504 HydrophobicContact CB-CG2 4.34Å
493	G	90.9	Very high	93.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	39.9	173.7	0	0	0	0	0	114.9	S480 S491 W495 R500	S480-G493 PolarHBondContact O-N 3.04Å; S491-G493 PolarHBondContact O-N 2.98Å; G493-W495 VanDerWaalsContact C-N 3.26Å; G493-W495 PolarHBondContact O-N 3.35Å; G493-R500 WeakPolarHBondContact O-CB 3.35Å
494	N	90.9	Very high	93.3	Very high	10 Å²	10	22.1 Å²	22.1	5%	0.053	11%	0.11	C	C	.	.	S	Bend	trans	-68.8	-30.7	179.9	-161.4	46.6	0	0	0	112.3	D482 V492 R500 Q571	D482-N494 HydrophobicContact CB-CB 4.49Å; D482-N494 PolarHBondContact OD2-N 3.28Å; V492-N494 PolarHBondContact O-N 3.41Å; N494-R500 PolarHBondContact OD1-NH1 2.81Å; N494-Q571 PolarHBondContact O-NE2 2.78Å; N494-Q571 PolarHBondContact OD1-NE2 3.44Å; N494-Q571 VanDerWaalsContact OD1-NE2 3.09Å
495	W	89.2	Confident	93.4	Very high	25 Å²	25	22.5 Å²	22.5	10%	0.095	11%	0.112	C	C	.	.	S	Bend	trans	-112.7	3.1	-179	-58.6	98	0	0	0	113.9	L260 M265 F266 I406 D482 G483 G493 F575	L260-W495 HydrophobicContact CD1-CB 4.1Å; L260-W495 HydrophobicContact CD1-CD2 3.79Å; L260-W495 HydrophobicContact CD1-CE3 3.69Å; L260-W495 HydrophobicContact CD1-CG 3.95Å; L260-W495 HydrophobicContact CD1-CZ3 4.45Å; M265-W495 HydrophobicContact CE-CD2 4.5Å; M265-W495 HydrophobicContact CE-CE3 3.66Å; M265-W495 HydrophobicContact CE-CH2 3.5Å; M265-W495 VanDerWaalsContact CE-CH2 3.5Å; M265-W495 HydrophobicContact CE-CZ2 4.35Å; M265-W495 HydrophobicContact CE-CZ3 3.09Å; M265-W495 HydrophobicContact CG-CH2 3.44Å; M265-W495 VanDerWaalsContact CG-CH2 3.44Å; M265-W495 HydrophobicContact CG-CZ2 4.27Å; M265-W495 HydrophobicContact CG-CZ3 3.97Å; M265-W495 HydrophobicContact SD-CH2 4.35Å; M265-W495 HydrophobicContact SD-CZ3 4.41Å; F266-W495 AromaticContact CD2-CH2 3.93Å; F266-W495 HydrophobicContact CD2-CH2 3.93Å; F266-W495 HydrophobicContact CD2-CZ3 4.05Å; F266-W495 HydrophobicContact CE2-CE3 4.46Å; F266-W495 AromaticContact CE2-CH2 3.69Å; F266-W495 HydrophobicContact CE2-CH2 3.69Å; F266-W495 AromaticContact CE2-CZ3 3.33Å; F266-W495 HydrophobicContact CE2-CZ3 3.33Å; F266-W495 AromaticContact CZ-CZ3 3.93Å; F266-W495 HydrophobicContact CZ-CZ3 3.93Å; I406-W495 HydrophobicContact CD1-CD2 4.4Å; I406-W495 HydrophobicContact CD1-CH2 4.1Å; I406-W495 HydrophobicContact CD1-CZ2 3.41Å; I406-W495 VanDerWaalsContact CD1-CZ2 3.41Å; D482-W495 PolarHBondContact OD2-N 2.9Å; G483-W495 PolarHBondContact O-NE1 2.68Å; G493-W495 VanDerWaalsContact C-N 3.26Å; G493-W495 PolarHBondContact O-N 3.35Å; W495-F575 HydrophobicContact CB-CZ 4.41Å; W495-F575 AromaticContact CE3-CE2 3.89Å; W495-F575 HydrophobicContact CE3-CE2 3.89Å; W495-F575 AromaticContact CE3-CZ 3.98Å; W495-F575 HydrophobicContact CE3-CZ 3.98Å; W495-F575 HydrophobicContact CZ3-CE2 4.42Å; W495-F575 WeakPolarHBondContact O-CZ 3.17Å
496	D	89.2	Confident	93.6	Very high	51 Å²	51	26 Å²	26	27%	0.273	13%	0.13	S	C	.	.			trans	-118.9	106.1	170.7	177.4	10.3	0	0	0	110.5	E498 T499 R500	D496-E498 PolarHBondContact O-N 2.89Å; D496-E498 PolarHBondContact OD1-N 3.28Å; D496-T499 PolarHBondContact O-N 3.32Å; D496-T499 WeakPolarHBondContact OD2-CB 3.39Å; D496-T499 PolarHBondContact OD2-N 3.43Å; D496-T499 PolarHBondContact OD2-OG1 3.11Å; D496-R500 PolarHBondContact O-N 2.7Å
497	P	91.8	Very high	93.7	Very high	7 Å²	7	26.2 Å²	26.2	5%	0.045	13%	0.131	C	C	.	.	H	α-helix	trans	-65	-26	-177.5	27.5	-34.8	0	0	0	113.2	R501 V572 F575	P497-R501 VanDerWaalsContact O-CB 3.31Å; P497-R501 WeakPolarHBondContact O-CB 3.42Å; P497-R501 PolarHBondContact O-N 3.09Å; P497-R501 VanDerWaalsContact O-N 3.11Å; P497-V572 HydrophobicContact CB-CG1 4.31Å; P497-F575 HydrophobicContact CB-CB 4.25Å; P497-F575 HydrophobicContact CB-CD1 4.4Å; P497-F575 HydrophobicContact CB-CG 4.4Å; P497-F575 HydrophobicContact CG-CD1 3.92Å; P497-F575 HydrophobicContact CG-CG 4.4Å
498	E	91.1	Very high	93.9	Very high	75 Å²	75	27 Å²	27	35%	0.35	14%	0.135	S	C	.	.	H	α-helix	trans	-75.1	-48.5	179	-65	-57.3	137.4	0	0	110.7	D496 R500 R501 V502	D496-E498 PolarHBondContact O-N 2.89Å; D496-E498 PolarHBondContact OD1-N 3.28Å; E498-R500 VanDerWaalsContact C-N 3.34Å; E498-R500 PolarHBondContact O-N 2.88Å; E498-R501 WeakPolarHBondContact O-CB 2.94Å; E498-R501 PolarHBondContact O-N 3.24Å; E498-R501 VanDerWaalsContact O-N 3.16Å; E498-R501 IonicContact OE1-CZ 2.7Å; E498-R501 IonicContact OE1-NH1 2.7Å; E498-R501 PolarHBondContact OE1-NH1 3.28Å; E498-R501 IonicContact OE1-NH2 3.6Å; E498-R501 PolarHBondContact OE1-NH2 3.3Å; E498-R501 IonicContact OE2-CZ 3.17Å; E498-R501 IonicContact OE2-NH1 2.7Å; E498-R501 PolarHBondContact OE2-NH1 2.85Å; E498-R501 IonicContact OE2-NH2 3.89Å; E498-V502 WeakPolarHBondContact O-CG2 3.01Å; E498-V502 PolarHBondContact O-N 3.27Å
499	T	92.6	Very high	94.1	Very high	12 Å²	12	32.3 Å²	32.3	7%	0.074	16%	0.159	C	C	.	.	H	α-helix	trans	-55.5	-48.1	172.7	-70.2	0	0	0	0	111.2	V492 D496 R501 V502 F503	V492-T499 HydrophobicContact CG1-CG2 3.93Å; D496-T499 PolarHBondContact O-N 3.32Å; D496-T499 WeakPolarHBondContact OD2-CB 3.39Å; D496-T499 PolarHBondContact OD2-N 3.43Å; D496-T499 PolarHBondContact OD2-OG1 3.11Å; T499-R501 VanDerWaalsContact C-N 3.29Å; T499-R501 PolarHBondContact O-N 2.55Å; T499-V502 PolarHBondContact O-N 3.37Å; T499-F503 HydrophobicContact CG2-CD2 3.71Å; T499-F503 HydrophobicContact CG2-CE2 4.36Å; T499-F503 WeakPolarHBondContact O-CB 3.42Å; T499-F503 WeakPolarHBondContact O-CD2 3.32Å; T499-F503 PolarHBondContact O-N 3.16Å
500	R	94.6	Very high	94.3	Very high	16 Å²	16	36 Å²	36	6%	0.06	18%	0.178	C	C	.	.	H	α-helix	trans	-59.4	-41.4	178.3	-158.5	-180	-176.4	91.1	19.9	112.2	G493 N494 D496 E498 V504 L505 D568 Q571 V572 K628	G493-R500 WeakPolarHBondContact O-CB 3.35Å; N494-R500 PolarHBondContact OD1-NH1 2.81Å; D496-R500 PolarHBondContact O-N 2.7Å; E498-R500 VanDerWaalsContact C-N 3.34Å; E498-R500 PolarHBondContact O-N 2.88Å; R500-V504 HydrophobicContact CG-CB 4.35Å; R500-V504 HydrophobicContact CG-CG2 4.48Å; R500-V504 WeakPolarHBondContact O-CA 3.46Å; R500-V504 WeakPolarHBondContact O-CB 3.33Å; R500-V504 PolarHBondContact O-N 3.42Å; R500-V504 VanDerWaalsContact O-N 3.08Å; R500-L505 PolarHBondContact O-N 3.21Å; R500-D568 IonicContact CZ-OD1 2.76Å; R500-D568 VanDerWaalsContact CZ-OD1 3.24Å; R500-D568 IonicContact NE-OD1 3.66Å; R500-D568 PolarHBondContact NE-OD1 3.33Å; R500-D568 IonicContact NH2-OD1 3.7Å; R500-D568 PolarHBondContact NH2-OD1 3.33Å; R500-Q571 VanDerWaalsContact CZ-CD 3.47Å; R500-V572 HydrophobicContact CB-CG2 4.02Å; R500-V572 HydrophobicContact CG-CG2 4.18Å; R500-K628 VanDerWaalsContact NH2-CE 3.25Å
501	R	95.6	Very high	94.5	Very high	99 Å²	99	36.4 Å²	36.4	37%	0.374	18%	0.181	S	C	.	.	I	π-helix	trans	-62.6	-47.3	-179.7	-170	-173.8	-57.7	140.2	13	111.2	P497 E498 T499 L505 L506 V572	P497-R501 VanDerWaalsContact O-CB 3.31Å; P497-R501 WeakPolarHBondContact O-CB 3.42Å; P497-R501 PolarHBondContact O-N 3.09Å; P497-R501 VanDerWaalsContact O-N 3.11Å; E498-R501 WeakPolarHBondContact O-CB 2.94Å; E498-R501 PolarHBondContact O-N 3.24Å; E498-R501 VanDerWaalsContact O-N 3.16Å; E498-R501 IonicContact OE1-CZ 2.7Å; E498-R501 IonicContact OE1-NH1 2.7Å; E498-R501 PolarHBondContact OE1-NH1 3.28Å; E498-R501 IonicContact OE1-NH2 3.6Å; E498-R501 PolarHBondContact OE1-NH2 3.3Å; E498-R501 IonicContact OE2-CZ 3.17Å; E498-R501 IonicContact OE2-NH1 2.7Å; E498-R501 PolarHBondContact OE2-NH1 2.85Å; E498-R501 IonicContact OE2-NH2 3.89Å; T499-R501 VanDerWaalsContact C-N 3.29Å; T499-R501 PolarHBondContact O-N 2.55Å; R501-L505 HydrophobicContact CG-CD2 4.34Å; R501-L506 WeakPolarHBondContact O-CB 3.38Å; R501-L506 PolarHBondContact O-N 2.83Å; R501-V572 HydrophobicContact CB-CG1 4.17Å; R501-V572 HydrophobicContact CG-CG1 4.47Å
502	V	95.6	Very high	94.6	Very high	74 Å²	74	36.6 Å²	36.6	45%	0.448	18%	0.181	S	C	.	.	I	π-helix	trans	-77.7	-44.6	-174.3	176.1	0	0	0	0	112.1	E498 T499 P507	E498-V502 WeakPolarHBondContact O-CG2 3.01Å; E498-V502 PolarHBondContact O-N 3.27Å; T499-V502 PolarHBondContact O-N 3.37Å; V502-P507 WeakPolarHBondContact O-CD 3.43Å
503	F	95.7	Very high	94.8	Very high	28 Å²	28	39.1 Å²	39.1	12%	0.123	20%	0.196	C	C	.	.	I	π-helix	trans	-93.6	-22.4	-171.2	-67.9	-65.9	0	0	0	114.7	Y423 V474 V475 T478 V492 T499 P507	Y423-F503 VanDerWaalsContact CE2-O 3.23Å; Y423-F503 WeakPolarHBondContact CE2-O 3.47Å; Y423-F503 PolarHBondContact OH-O 3.39Å; V474-F503 HydrophobicContact CB-CE1 4.25Å; V474-F503 HydrophobicContact CG1-CE1 3.53Å; V474-F503 HydrophobicContact CG1-CZ 3.86Å; V475-F503 HydrophobicContact CG2-CB 4.01Å; V475-F503 HydrophobicContact CG2-CD1 3.7Å; V475-F503 HydrophobicContact CG2-CD2 4.48Å; V475-F503 HydrophobicContact CG2-CE1 4.29Å; V475-F503 HydrophobicContact CG2-CG 3.81Å; T478-F503 HydrophobicContact CG2-CE2 4.18Å; T478-F503 HydrophobicContact CG2-CZ 3.87Å; V492-F503 HydrophobicContact CG1-CB 4.06Å; T499-F503 HydrophobicContact CG2-CD2 3.71Å; T499-F503 HydrophobicContact CG2-CE2 4.36Å; T499-F503 WeakPolarHBondContact O-CB 3.42Å; T499-F503 WeakPolarHBondContact O-CD2 3.32Å; T499-F503 PolarHBondContact O-N 3.16Å; F503-P507 WeakPolarHBondContact O-CG 3.37Å
504	V	96.2	Very high	95.1	Very high	19 Å²	19	43.1 Å²	43.1	12%	0.115	22%	0.217	C	C	.	.	I	π-helix	trans	-112.1	-62.6	-178.1	-176.2	0	0	0	0	110.4	Y423 V492 R500 L506 P507 L508	Y423-V504 HydrophobicContact CE2-CG2 4.24Å; V492-V504 HydrophobicContact CB-CG2 4.34Å; R500-V504 HydrophobicContact CG-CB 4.35Å; R500-V504 HydrophobicContact CG-CG2 4.48Å; R500-V504 WeakPolarHBondContact O-CA 3.46Å; R500-V504 WeakPolarHBondContact O-CB 3.33Å; R500-V504 PolarHBondContact O-N 3.42Å; R500-V504 VanDerWaalsContact O-N 3.08Å; V504-L506 PolarHBondContact O-N 2.92Å; V504-P507 WeakPolarHBondContact O-CD 3.47Å; V504-L508 HydrophobicContact CG1-CD1 3.9Å; V504-L508 WeakPolarHBondContact O-CB 3.38Å; V504-L508 VanDerWaalsContact O-CG 3.25Å; V504-L508 WeakPolarHBondContact O-CG 3.41Å; V504-L508 PolarHBondContact O-N 3.38Å; V504-L508 VanDerWaalsContact O-N 3.14Å
505	L	97.1	Very high	95.4	Very high	15 Å²	15	42.6 Å²	42.6	8%	0.079	21%	0.214	C	C	.	.	I	π-helix	trans	-64.7	-47	-171.7	178	65	0	0	0	112.6	R500 R501 L508 F509 I565 D568 L569	R500-L505 PolarHBondContact O-N 3.21Å; R501-L505 HydrophobicContact CG-CD2 4.34Å; L505-L508 PolarHBondContact O-N 3.34Å; L505-F509 VanDerWaalsContact O-CB 3.27Å; L505-F509 WeakPolarHBondContact O-CB 3.36Å; L505-F509 PolarHBondContact O-N 2.76Å; L505-I565 HydrophobicContact CD1-CB 4.46Å; L505-I565 HydrophobicContact CD1-CG2 3.91Å; L505-D568 HydrophobicContact CD1-CB 4.24Å; L505-L569 HydrophobicContact CD1-CD2 4.24Å; L505-L569 HydrophobicContact CD1-CG 3.96Å; L505-L569 HydrophobicContact CD2-CD2 3.54Å; L505-L569 HydrophobicContact CD2-CG 4.09Å; L505-L569 HydrophobicContact CG-CD2 4.47Å
506	L	96.9	Very high	95.7	Very high	87 Å²	87	43.7 Å²	43.7	46%	0.455	22%	0.224	S	C	.	.	H	α-helix	trans	-62.3	-50.8	-178.5	173	69	0	0	0	112.2	R501 V504 L508 F509 I510	R501-L506 WeakPolarHBondContact O-CB 3.38Å; R501-L506 PolarHBondContact O-N 2.83Å; V504-L506 PolarHBondContact O-N 2.92Å; L506-L508 PolarHBondContact O-N 3.44Å; L506-F509 PolarHBondContact O-N 3.35Å; L506-I510 HydrophobicContact CD1-CD1 3.8Å; L506-I510 HydrophobicContact CD1-CG1 4.17Å; L506-I510 HydrophobicContact CG-CD1 3.91Å; L506-I510 VanDerWaalsContact O-CG1 3.3Å; L506-I510 WeakPolarHBondContact O-CG1 3.2Å; L506-I510 PolarHBondContact O-N 3.4Å
507	P	97.2	Very high	96.1	Very high	14 Å²	14	47.4 Å²	47.4	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-57.9	-43.1	174.3	-30.7	38	0	0	0	113.8	I427 L471 V502 F503 V504 I510 C511	I427-P507 HydrophobicContact CD1-CB 4.03Å; L471-P507 HydrophobicContact CD1-CB 4.14Å; L471-P507 HydrophobicContact CD1-CG 4.09Å; V502-P507 WeakPolarHBondContact O-CD 3.43Å; F503-P507 WeakPolarHBondContact O-CG 3.37Å; V504-P507 WeakPolarHBondContact O-CD 3.47Å; P507-I510 PolarHBondContact O-N 3.49Å; P507-C511 WeakPolarHBondContact O-CB 3.32Å; P507-C511 PolarHBondContact O-N 3.49Å; P507-C511 PolarHBondContact O-SG 3.11Å
508	L	97.1	Very high	96.3	Very high	19 Å²	19	49.6 Å²	49.6	10%	0.099	25%	0.246	C	C	.	.	H	α-helix	trans	-64.9	-41.3	178.3	-69.3	178.6	0	0	0	111.9	T426 I427 S430 V504 L505 L506 C511 L512 I565	T426-L508 HydrophobicContact CG2-CD2 4.41Å; I427-L508 HydrophobicContact CD1-CD2 4.3Å; S430-L508 WeakPolarHBondContact OG-CD2 3.18Å; V504-L508 HydrophobicContact CG1-CD1 3.9Å; V504-L508 WeakPolarHBondContact O-CB 3.38Å; V504-L508 VanDerWaalsContact O-CG 3.25Å; V504-L508 WeakPolarHBondContact O-CG 3.41Å; V504-L508 PolarHBondContact O-N 3.38Å; V504-L508 VanDerWaalsContact O-N 3.14Å; L505-L508 PolarHBondContact O-N 3.34Å; L506-L508 PolarHBondContact O-N 3.44Å; L508-C511 PolarHBondContact O-N 3.49Å; L508-L512 WeakPolarHBondContact O-CB 3.28Å; L508-L512 PolarHBondContact O-N 3.29Å; L508-I565 HydrophobicContact CB-CD1 4.3Å; L508-I565 HydrophobicContact CB-CG1 4.17Å
509	F	97.7	Very high	96.5	Very high	111 Å²	111	46.5 Å²	46.5	49%	0.487	23%	0.232	S	C	.	.	H	α-helix	trans	-63.6	-45	175.9	-177	-94.9	0	0	0	112	L505 L506 C511 L512 T513	L505-F509 VanDerWaalsContact O-CB 3.27Å; L505-F509 WeakPolarHBondContact O-CB 3.36Å; L505-F509 PolarHBondContact O-N 2.76Å; L506-F509 PolarHBondContact O-N 3.35Å; F509-C511 VanDerWaalsContact C-N 3.34Å; F509-C511 PolarHBondContact O-N 3.49Å; F509-L512 PolarHBondContact O-N 3.2Å; F509-T513 HydrophobicContact CD1-CG2 4.16Å; F509-T513 HydrophobicContact CE1-CG2 3.78Å; F509-T513 HydrophobicContact CE2-CG2 4.25Å; F509-T513 HydrophobicContact CZ-CG2 3.83Å; F509-T513 WeakPolarHBondContact O-CB 3.16Å; F509-T513 VanDerWaalsContact O-CG2 3.3Å; F509-T513 WeakPolarHBondContact O-CG2 3.27Å; F509-T513 PolarHBondContact O-N 2.86Å; F509-T513 PolarHBondContact O-OG1 3.01Å
510	I	98	Very high	96.6	Very high	78 Å²	78	50 Å²	50	40%	0.4	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-44.9	174.6	-67.7	166.8	0	0	0	110.2	L506 P507 L512 T513 L514	L506-I510 HydrophobicContact CD1-CD1 3.8Å; L506-I510 HydrophobicContact CD1-CG1 4.17Å; L506-I510 HydrophobicContact CG-CD1 3.91Å; L506-I510 VanDerWaalsContact O-CG1 3.3Å; L506-I510 WeakPolarHBondContact O-CG1 3.2Å; L506-I510 PolarHBondContact O-N 3.4Å; P507-I510 PolarHBondContact O-N 3.49Å; I510-L512 PolarHBondContact O-N 3.38Å; I510-T513 WeakPolarHBondContact CA-OG1 2.95Å; I510-T513 PolarHBondContact O-N 3.45Å; I510-T513 PolarHBondContact O-OG1 3.45Å; I510-L514 HydrophobicContact CG2-CD1 3.82Å; I510-L514 HydrophobicContact CG2-CG 4.38Å; I510-L514 WeakPolarHBondContact O-CB 3.33Å; I510-L514 VanDerWaalsContact O-CG 3.31Å; I510-L514 WeakPolarHBondContact O-CG 3.2Å; I510-L514 PolarHBondContact O-N 3.28Å
511	C	97.6	Very high	96.6	Very high	9 Å²	9	50.2 Å²	50.2	6%	0.061	26%	0.259	C	S	.	.	H	α-helix	trans	-63.1	-44.1	179.3	-70.3	0	0	0	0	112.1	I434 P507 L508 F509 G515	I434-C511 HydrophobicContact CD1-CB 3.84Å; P507-C511 WeakPolarHBondContact O-CB 3.32Å; P507-C511 PolarHBondContact O-N 3.49Å; P507-C511 PolarHBondContact O-SG 3.11Å; L508-C511 PolarHBondContact O-N 3.49Å; F509-C511 VanDerWaalsContact C-N 3.34Å; F509-C511 PolarHBondContact O-N 3.49Å; C511-G515 PolarHBondContact O-N 2.99Å
512	L	97.3	Very high	96.4	Very high	16 Å²	16	45.5 Å²	45.5	8%	0.084	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-45.6	179.6	-177	65.6	0	0	0	111.5	W433 L508 F509 I510 G515 T516 A561 L562 I565	W433-L512 HydrophobicContact CH2-CD1 4.03Å; W433-L512 HydrophobicContact CZ3-CD1 4.18Å; L508-L512 WeakPolarHBondContact O-CB 3.28Å; L508-L512 PolarHBondContact O-N 3.29Å; F509-L512 PolarHBondContact O-N 3.2Å; I510-L512 PolarHBondContact O-N 3.38Å; L512-G515 PolarHBondContact O-N 3.31Å; L512-T516 HydrophobicContact CD1-CG2 3.94Å; L512-T516 HydrophobicContact CG-CG2 4.25Å; L512-T516 VanDerWaalsContact O-CB 3.31Å; L512-T516 WeakPolarHBondContact O-CB 3.48Å; L512-T516 VanDerWaalsContact O-CG2 3.27Å; L512-T516 WeakPolarHBondContact O-CG2 3.24Å; L512-T516 PolarHBondContact O-N 2.9Å; L512-T516 PolarHBondContact O-OG1 3.34Å; L512-A561 HydrophobicContact CD1-CB 4.01Å; L512-L562 HydrophobicContact CD2-CD2 3.49Å; L512-L562 VanDerWaalsContact CD2-CD2 3.49Å; L512-L562 HydrophobicContact CD2-CG 3.82Å; L512-I565 HydrophobicContact CB-CD1 3.99Å; L512-I565 HydrophobicContact CD2-CD1 3.57Å; L512-I565 HydrophobicContact CG-CD1 4.41Å
513	T	97.7	Very high	96.2	Very high	57 Å²	57	45.4 Å²	45.4	35%	0.35	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-45.1	178.8	51.3	0	0	0	0	111.9	F509 I510 T516 F517	F509-T513 HydrophobicContact CD1-CG2 4.16Å; F509-T513 HydrophobicContact CE1-CG2 3.78Å; F509-T513 HydrophobicContact CE2-CG2 4.25Å; F509-T513 HydrophobicContact CZ-CG2 3.83Å; F509-T513 WeakPolarHBondContact O-CB 3.16Å; F509-T513 VanDerWaalsContact O-CG2 3.3Å; F509-T513 WeakPolarHBondContact O-CG2 3.27Å; F509-T513 PolarHBondContact O-N 2.86Å; F509-T513 PolarHBondContact O-OG1 3.01Å; I510-T513 WeakPolarHBondContact CA-OG1 2.95Å; I510-T513 PolarHBondContact O-N 3.45Å; I510-T513 PolarHBondContact O-OG1 3.45Å; T513-T516 WeakPolarHBondContact CA-OG1 3.11Å; T513-T516 PolarHBondContact O-OG1 2.88Å; T513-F517 WeakPolarHBondContact O-CB 3.28Å; T513-F517 PolarHBondContact O-N 3.46Å
514	L	97.6	Very high	96	Very high	83 Å²	83	49.1 Å²	49.1	44%	0.435	26%	0.255	S	S	.	.	H	α-helix	trans	-64.1	-47	176.7	-71	176	0	0	0	112.3	I434 I510 F517 F518	I434-L514 HydrophobicContact CD1-CB 4.37Å; I510-L514 HydrophobicContact CG2-CD1 3.82Å; I510-L514 HydrophobicContact CG2-CG 4.38Å; I510-L514 WeakPolarHBondContact O-CB 3.33Å; I510-L514 VanDerWaalsContact O-CG 3.31Å; I510-L514 WeakPolarHBondContact O-CG 3.2Å; I510-L514 PolarHBondContact O-N 3.28Å; L514-F517 WeakPolarHBondContact O-CB 3.21Å; L514-F517 PolarHBondContact O-N 2.94Å; L514-F518 WeakPolarHBondContact O-CD2 3.04Å; L514-F518 PolarHBondContact O-N 3.47Å
515	G	97	Very high	95.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-71.3	-33.9	-179.1	0	0	0	0	0	113.2	C511 L512 F518 L519	C511-G515 PolarHBondContact O-N 2.99Å; L512-G515 PolarHBondContact O-N 3.31Å; G515-F518 PolarHBondContact O-N 3.3Å; G515-L519 WeakPolarHBondContact O-CB 3.31Å; G515-L519 PolarHBondContact O-N 3.4Å
516	T	96.5	Very high	95	Very high	48 Å²	48	49.2 Å²	49.2	29%	0.294	26%	0.256	S	S	.	.	H	α-helix	trans	-66.5	-37	173	48.9	0	0	0	0	111.9	W433 L512 T513 F518 L519 V520 T558	W433-T516 HydrophobicContact CH2-CG2 4.01Å; L512-T516 HydrophobicContact CD1-CG2 3.94Å; L512-T516 HydrophobicContact CG-CG2 4.25Å; L512-T516 VanDerWaalsContact O-CB 3.31Å; L512-T516 WeakPolarHBondContact O-CB 3.48Å; L512-T516 VanDerWaalsContact O-CG2 3.27Å; L512-T516 WeakPolarHBondContact O-CG2 3.24Å; L512-T516 PolarHBondContact O-N 2.9Å; L512-T516 PolarHBondContact O-OG1 3.34Å; T513-T516 WeakPolarHBondContact CA-OG1 3.11Å; T513-T516 PolarHBondContact O-OG1 2.88Å; T516-F518 PolarHBondContact O-N 2.05Å; T516-L519 WeakPolarHBondContact O-CB 3.4Å; T516-L519 PolarHBondContact O-N 2.91Å; T516-V520 WeakPolarHBondContact O-CG2 3.42Å; T516-V520 PolarHBondContact O-N 3.32Å; T516-T558 HydrophobicContact CG2-CG2 4.1Å
517	F	97	Very high	94.4	Very high	129 Å²	129	49.2 Å²	49.2	57%	0.566	26%	0.256	S	S	*	.	H	α-helix	trans	-56	-50.4	171.5	167.9	-94.8	0	0	0	111.7	T513 L514 L519 V520 A521	T513-F517 WeakPolarHBondContact O-CB 3.28Å; T513-F517 PolarHBondContact O-N 3.46Å; L514-F517 WeakPolarHBondContact O-CB 3.21Å; L514-F517 PolarHBondContact O-N 2.94Å; F517-L519 VanDerWaalsContact C-N 3.35Å; F517-L519 PolarHBondContact O-N 2.93Å; F517-V520 PolarHBondContact O-N 3.05Å; F517-A521 WeakPolarHBondContact O-CB 3.31Å; F517-A521 PolarHBondContact O-N 3.44Å
518	F	96.5	Very high	93.9	Very high	52 Å²	52	55.3 Å²	55.3	23%	0.228	28%	0.281	C	S	.	.	H	α-helix	trans	-67.1	-34.6	177.6	-74	-67.7	0	0	0	112.9	N437 V438 F441 L514 G515 T516 A521 G522	N437-F518 HydrophobicContact CB-CB 3.85Å; V438-F518 HydrophobicContact CG2-CD1 4.12Å; V438-F518 HydrophobicContact CG2-CD2 3.56Å; V438-F518 HydrophobicContact CG2-CE1 4.19Å; V438-F518 HydrophobicContact CG2-CE2 3.65Å; V438-F518 HydrophobicContact CG2-CG 3.82Å; V438-F518 HydrophobicContact CG2-CZ 3.97Å; F441-F518 HydrophobicContact CB-CD1 4.5Å; F441-F518 HydrophobicContact CD1-CD1 4.15Å; F441-F518 HydrophobicContact CD1-CE1 4.48Å; F441-F518 HydrophobicContact CG-CD1 4.4Å; L514-F518 WeakPolarHBondContact O-CD2 3.04Å; L514-F518 PolarHBondContact O-N 3.47Å; G515-F518 PolarHBondContact O-N 3.3Å; T516-F518 PolarHBondContact O-N 2.05Å; F518-A521 PolarHBondContact O-N 3.08Å; F518-G522 PolarHBondContact O-N 3.2Å
519	L	95	Very high	92.9	Very high	11 Å²	11	56.5 Å²	56.5	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-46	174.1	-176.2	59.3	0	0	0	111.3	N437 W440 G515 T516 F517 G522 F523 V555 T558	N437-L519 WeakPolarHBondContact OD1-CD1 3.45Å; W440-L519 HydrophobicContact CE3-CD1 4.46Å; W440-L519 HydrophobicContact CH2-CD1 4.11Å; W440-L519 WeakPolarHBondContact CH2-O 3.15Å; W440-L519 HydrophobicContact CZ3-CD1 3.89Å; W440-L519 WeakPolarHBondContact CZ3-O 3.45Å; G515-L519 WeakPolarHBondContact O-CB 3.31Å; G515-L519 PolarHBondContact O-N 3.4Å; T516-L519 WeakPolarHBondContact O-CB 3.4Å; T516-L519 PolarHBondContact O-N 2.91Å; F517-L519 VanDerWaalsContact C-N 3.35Å; F517-L519 PolarHBondContact O-N 2.93Å; L519-G522 PolarHBondContact O-N 2.81Å; L519-F523 HydrophobicContact CD1-CD2 3.96Å; L519-F523 HydrophobicContact CD1-CE2 3.6Å; L519-F523 HydrophobicContact CG-CD2 4.06Å; L519-F523 HydrophobicContact CG-CE2 3.94Å; L519-F523 WeakPolarHBondContact O-CD2 3.49Å; L519-F523 PolarHBondContact O-N 2.92Å; L519-V555 HydrophobicContact CD1-CG2 4.41Å; L519-V555 HydrophobicContact CD2-CG2 4Å; L519-T558 HydrophobicContact CD2-CG2 3.91Å
520	V	94.8	Very high	92	Very high	86 Å²	86	56.9 Å²	56.9	52%	0.521	29%	0.285	S	S	.	.	H	α-helix	trans	-65.9	-44.5	176.3	173.2	0	0	0	0	110.7	T516 F517 G522 F523 I524	T516-V520 WeakPolarHBondContact O-CG2 3.42Å; T516-V520 PolarHBondContact O-N 3.32Å; F517-V520 PolarHBondContact O-N 3.05Å; V520-G522 VanDerWaalsContact C-N 3.33Å; V520-G522 PolarHBondContact O-N 3.14Å; V520-F523 PolarHBondContact O-N 3.36Å; V520-F523 VanDerWaalsContact O-N 3.16Å; V520-I524 HydrophobicContact CG1-CD1 3.82Å; V520-I524 HydrophobicContact CG1-CG1 4.4Å; V520-I524 WeakPolarHBondContact O-CG1 3.5Å; V520-I524 PolarHBondContact O-N 2.76Å
521	A	94.6	Very high	91	Very high	20 Å²	20	61.1 Å²	61.1	17%	0.165	30%	0.301	C	S	.	.	H	α-helix	trans	-59.6	-41.2	178.4	0	0	0	0	0	112.6	F441 F517 F518 S525	F441-A521 HydrophobicContact CD2-CB 3.82Å; F441-A521 HydrophobicContact CE2-CB 3.86Å; F517-A521 WeakPolarHBondContact O-CB 3.31Å; F517-A521 PolarHBondContact O-N 3.44Å; F518-A521 PolarHBondContact O-N 3.08Å; A521-S525 WeakPolarHBondContact O-CB 3.33Å; A521-S525 PolarHBondContact O-N 3.48Å; A521-S525 PolarHBondContact O-OG 2.9Å
522	G	91.7	Very high	89.8	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-72.1	-32.1	176.2	0	0	0	0	0	113.1	W440 F518 L519 V520 S525 L526	W440-G522 VanDerWaalsContact CZ3-C 3.43Å; F518-G522 PolarHBondContact O-N 3.2Å; L519-G522 PolarHBondContact O-N 2.81Å; V520-G522 VanDerWaalsContact C-N 3.33Å; V520-G522 PolarHBondContact O-N 3.14Å; G522-S525 WeakPolarHBondContact O-CB 3.49Å; G522-S525 PolarHBondContact O-N 2.8Å; G522-L526 WeakPolarHBondContact O-CB 3.36Å; G522-L526 PolarHBondContact O-N 3.19Å
523	F	91	Very high	88.2	Confident	71 Å²	71	72 Å²	72	31%	0.311	35%	0.348	S	S	.	.	H	α-helix	trans	-65.7	-45.3	173.4	-92.5	-65.8	0	0	0	111.1	W440 L519 V520 S525 L526 I527 V555	W440-F523 HydrophobicContact CH2-CB 4.25Å; W440-F523 HydrophobicContact CH2-CD1 4.37Å; W440-F523 AromaticContact CH2-CD2 3.82Å; W440-F523 HydrophobicContact CH2-CD2 3.82Å; W440-F523 HydrophobicContact CH2-CE2 4.24Å; W440-F523 AromaticContact CH2-CG 3.88Å; W440-F523 HydrophobicContact CH2-CG 3.88Å; L519-F523 HydrophobicContact CD1-CD2 3.96Å; L519-F523 HydrophobicContact CD1-CE2 3.6Å; L519-F523 HydrophobicContact CG-CD2 4.06Å; L519-F523 HydrophobicContact CG-CE2 3.94Å; L519-F523 WeakPolarHBondContact O-CD2 3.49Å; L519-F523 PolarHBondContact O-N 2.92Å; V520-F523 PolarHBondContact O-N 3.36Å; V520-F523 VanDerWaalsContact O-N 3.16Å; F523-S525 VanDerWaalsContact C-N 3.27Å; F523-S525 PolarHBondContact O-N 3.21Å; F523-L526 PolarHBondContact O-N 3.35Å; F523-I527 WeakPolarHBondContact O-CG1 3.46Å; F523-I527 PolarHBondContact O-N 2.61Å; F523-V555 HydrophobicContact CE2-CG2 3.73Å; F523-V555 HydrophobicContact CZ-CG2 3.93Å
524	I	92	Very high	86.4	Confident	107 Å²	107	79 Å²	79	55%	0.549	37%	0.374	S	S	.	.	H	α-helix	trans	-58.1	-44	175	-67.5	167.9	0	0	0	110.3	V520 I527 K528	V520-I524 HydrophobicContact CG1-CD1 3.82Å; V520-I524 HydrophobicContact CG1-CG1 4.4Å; V520-I524 WeakPolarHBondContact O-CG1 3.5Å; V520-I524 PolarHBondContact O-N 2.76Å; I524-I527 PolarHBondContact O-N 3.33Å; I524-K528 PolarHBondContact O-N 3.25Å
525	S	88	Confident	84.6	Confident	22 Å²	22	83.1 Å²	83.1	15%	0.154	39%	0.391	C	S	.	.	H	α-helix	trans	-61.8	-43.5	177.6	-62.7	0	0	0	0	112.6	G445 A521 G522 F523 K528 I529	G445-S525 VanDerWaalsContact CA-CB 3.45Å; A521-S525 WeakPolarHBondContact O-CB 3.33Å; A521-S525 PolarHBondContact O-N 3.48Å; A521-S525 PolarHBondContact O-OG 2.9Å; G522-S525 WeakPolarHBondContact O-CB 3.49Å; G522-S525 PolarHBondContact O-N 2.8Å; F523-S525 VanDerWaalsContact C-N 3.27Å; F523-S525 PolarHBondContact O-N 3.21Å; S525-K528 WeakPolarHBondContact O-CB 3.46Å; S525-K528 PolarHBondContact O-N 3.39Å; S525-I529 WeakPolarHBondContact O-CG1 3.44Å; S525-I529 PolarHBondContact O-N 3.49Å
526	L	83.7	Confident	82.7	Confident	14 Å²	14	89.4 Å²	89.4	7%	0.073	42%	0.424	C	S	.	.	H	α-helix	trans	-63.4	-44.3	177.4	-168.9	162.4	0	0	0	111.3	W440 G522 F523 K528 I529 R530 I547	W440-L526 HydrophobicContact CZ2-CD1 4.35Å; G522-L526 WeakPolarHBondContact O-CB 3.36Å; G522-L526 PolarHBondContact O-N 3.19Å; F523-L526 PolarHBondContact O-N 3.35Å; L526-K528 VanDerWaalsContact C-N 3.35Å; L526-K528 PolarHBondContact O-N 2.94Å; L526-I529 PolarHBondContact O-N 3.11Å; L526-R530 HydrophobicContact CD2-CG 4.07Å; L526-R530 PolarHBondContact O-N 2.79Å; L526-I547 HydrophobicContact CD1-CG2 3.61Å
527	I	85.5	Confident	81	Confident	86 Å²	86	90.6 Å²	90.6	44%	0.441	45%	0.447	S	S	.	.	H	α-helix	trans	-61.7	-43.4	176	-67	165.5	0	0	0	110.7	F523 I524 I529 R530 K531	F523-I527 WeakPolarHBondContact O-CG1 3.46Å; F523-I527 PolarHBondContact O-N 2.61Å; I524-I527 PolarHBondContact O-N 3.33Å; I527-I529 VanDerWaalsContact C-N 3.34Å; I527-I529 PolarHBondContact O-N 2.91Å; I527-R530 PolarHBondContact O-N 2.81Å; I527-K531 HydrophobicContact CG2-CD 4.29Å; I527-K531 WeakPolarHBondContact O-CG 3.5Å; I527-K531 PolarHBondContact O-N 2.64Å
528	K	84.9	Confident	79.5	Confident	143 Å²	143	86 Å²	86	62%	0.622	44%	0.435	S	S	*	.	H	α-helix	trans	-58.2	-47.3	176.9	-173.1	177.2	-179.4	178	0	110.6	I524 S525 L526 K531 F532	I524-K528 PolarHBondContact O-N 3.25Å; S525-K528 WeakPolarHBondContact O-CB 3.46Å; S525-K528 PolarHBondContact O-N 3.39Å; L526-K528 VanDerWaalsContact C-N 3.35Å; L526-K528 PolarHBondContact O-N 2.94Å; K528-K531 PolarHBondContact O-N 3.38Å; K528-F532 HydrophobicContact CG-CD2 4.27Å; K528-F532 HydrophobicContact CG-CE2 4.27Å; K528-F532 VanDerWaalsContact O-CD2 3.23Å; K528-F532 WeakPolarHBondContact O-CD2 3.24Å; K528-F532 PolarHBondContact O-N 3.02Å
529	I	77.3	Confident	78	Confident	44 Å²	44	92.7 Å²	92.7	23%	0.226	46%	0.464	C	S	.	.	H	α-helix	trans	-63.8	-46	179.9	-72.4	171.9	0	0	0	112	A444 S525 L526 I527 K531 F532 M533	A444-I529 WeakPolarHBondContact O-CD1 3.37Å; S525-I529 WeakPolarHBondContact O-CG1 3.44Å; S525-I529 PolarHBondContact O-N 3.49Å; L526-I529 PolarHBondContact O-N 3.11Å; I527-I529 VanDerWaalsContact C-N 3.34Å; I527-I529 PolarHBondContact O-N 2.91Å; I529-K531 VanDerWaalsContact C-N 3.26Å; I529-K531 PolarHBondContact O-N 3.03Å; I529-F532 PolarHBondContact O-N 3.07Å; I529-F532 VanDerWaalsContact O-N 3.08Å; I529-M533 HydrophobicContact CG2-CE 3.26Å; I529-M533 HydrophobicContact CG2-CG 4.08Å; I529-M533 HydrophobicContact CG2-SD 3.75Å; I529-M533 WeakPolarHBondContact O-CG 3.42Å; I529-M533 PolarHBondContact O-N 2.79Å
530	R	77.6	Confident	76.7	Confident	118 Å²	118	95 Å²	95	45%	0.445	48%	0.476	S	S	.	.	H	α-helix	trans	-61.4	-33.2	177.8	-77.8	-174.8	170.6	166.9	-2.5	113.4	L526 I527 F532 E544	L526-R530 HydrophobicContact CD2-CG 4.07Å; L526-R530 PolarHBondContact O-N 2.79Å; I527-R530 PolarHBondContact O-N 2.81Å; R530-F532 VanDerWaalsContact C-N 3.3Å; R530-F532 PolarHBondContact O-N 2.87Å; R530-E544 IonicContact CZ-OE1 3.96Å; R530-E544 IonicContact NE-OE1 2.61Å; R530-E544 PolarHBondContact NE-OE1 3.3Å; R530-E544 IonicContact NH2-OE1 3.19Å; R530-E544 PolarHBondContact NH2-OE1 2.99Å
531	K	77.3	Confident	75.8	Confident	168 Å²	168	95.5 Å²	95.5	73%	0.73	47%	0.473	S	S	*	.	H	α-helix	trans	-67.6	-28.6	175.9	-76.3	-177.9	177.9	-175.3	0	112.8	I527 K528 I529	I527-K531 HydrophobicContact CG2-CD 4.29Å; I527-K531 WeakPolarHBondContact O-CG 3.5Å; I527-K531 PolarHBondContact O-N 2.64Å; K528-K531 PolarHBondContact O-N 3.38Å; I529-K531 VanDerWaalsContact C-N 3.26Å; I529-K531 PolarHBondContact O-N 3.03Å
532	F	73.5	Confident	74.9	Confident	171 Å²	171	102.6 Å²	102.6	75%	0.75	50%	0.5	S	S	*	.	H	α-helix	trans	-101.9	-22.3	-175.3	-76.2	-73.9	0	0	0	115.3	K528 I529 R530	K528-F532 HydrophobicContact CG-CD2 4.27Å; K528-F532 HydrophobicContact CG-CE2 4.27Å; K528-F532 VanDerWaalsContact O-CD2 3.23Å; K528-F532 WeakPolarHBondContact O-CD2 3.24Å; K528-F532 PolarHBondContact O-N 3.02Å; I529-F532 PolarHBondContact O-N 3.07Å; I529-F532 VanDerWaalsContact O-N 3.08Å; R530-F532 VanDerWaalsContact C-N 3.3Å; R530-F532 PolarHBondContact O-N 2.87Å
533	M	62.8	Low	74	Confident	81 Å²	81	107.3 Å²	107.3	40%	0.399	52%	0.524	S	S	.	.			trans	-104.2	42.3	-167.9	-60.3	-160.3	-34.5	0	0	116.1	I529 H535 I540	I529-M533 HydrophobicContact CG2-CE 3.26Å; I529-M533 HydrophobicContact CG2-CG 4.08Å; I529-M533 HydrophobicContact CG2-SD 3.75Å; I529-M533 WeakPolarHBondContact O-CG 3.42Å; I529-M533 PolarHBondContact O-N 2.79Å; M533-H535 PolarHBondContact O-N 3.15Å; M533-I540 HydrophobicContact CE-CD1 3.99Å; M533-I540 HydrophobicContact CE-CG2 3.69Å
534	K	60.9	Low	73.4	Confident	204 Å²	204	107.1 Å²	107.1	89%	0.887	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	4.4	-177.5	-106.3	-176.1	179.1	-176.4	0	116.5
535	H	58.5	Low	73	Confident	171 Å²	171	108.8 Å²	108.8	79%	0.792	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133	7.5	-162.7	-132.6	-72.7	0	0	0	120.2	M533	M533-H535 PolarHBondContact O-N 3.15Å
536	D	58.4	Low	72.8	Confident	131 Å²	131	109.7 Å²	109.7	70%	0.701	53%	0.531	S	S	*	.			trans	-132.3	86.9	176.8	-75.8	-40.3	0	0	0	113.2	I540	D536-I540 HydrophobicContact CB-CD1 4.09Å; D536-I540 VanDerWaalsContact O-CD1 3.31Å; D536-I540 WeakPolarHBondContact O-CD1 3.41Å
537	G	59.9	Low	72.9	Confident	74 Å²	74	109.9 Å²	109.9	76%	0.763	53%	0.531	S	S	*	.			trans	-98.3	92.8	-158.7	0	0	0	0	0	117.6
538	G	65.3	Low	73	Confident	31 Å²	31	108.6 Å²	108.6	32%	0.32	53%	0.525	S	S	.	.	S	Bend	trans	171.5	-49.5	157.2	0	0	0	0	0	115.5
539	K	64.4	Low	73.2	Confident	194 Å²	194	105.9 Å²	105.9	84%	0.843	51%	0.511	S	S	*	.	H	α-helix	trans	-72	-35.7	173.1	-72.6	-176.5	-179	176.3	0	111.5	E541 K542 L543	K539-E541 VanDerWaalsContact C-N 3.28Å; K539-E541 PolarHBondContact O-N 3.27Å; K539-K542 PolarHBondContact O-N 3.43Å; K539-L543 PolarHBondContact O-N 3.42Å
540	I	69.6	Low	73.9	Confident	59 Å²	59	103.8 Å²	103.8	30%	0.303	50%	0.5	S	S	.	.	H	α-helix	trans	-62.4	-38.2	176.4	-58.2	-173.1	0	0	0	110.4	M533 D536 K542 L543 E544	M533-I540 HydrophobicContact CE-CD1 3.99Å; M533-I540 HydrophobicContact CE-CG2 3.69Å; D536-I540 HydrophobicContact CB-CD1 4.09Å; D536-I540 VanDerWaalsContact O-CD1 3.31Å; D536-I540 WeakPolarHBondContact O-CD1 3.41Å; I540-K542 PolarHBondContact O-N 3.24Å; I540-L543 PolarHBondContact O-N 3.21Å; I540-E544 VanDerWaalsContact O-CB 3.27Å; I540-E544 WeakPolarHBondContact O-CB 3.44Å; I540-E544 PolarHBondContact O-N 2.94Å
541	E	74.8	Confident	74.5	Confident	97 Å²	97	98.4 Å²	98.4	45%	0.453	48%	0.481	S	S	.	.	H	α-helix	trans	-62.1	-38.9	-179.4	-61.7	-176.5	-176.8	0	0	113.4	K539 E544 K545	K539-E541 VanDerWaalsContact C-N 3.28Å; K539-E541 PolarHBondContact O-N 3.27Å; E541-E544 PolarHBondContact O-N 2.84Å; E541-K545 WeakPolarHBondContact O-CB 3Å; E541-K545 VanDerWaalsContact O-CG 3.28Å; E541-K545 WeakPolarHBondContact O-CG 3.41Å; E541-K545 PolarHBondContact O-N 3.06Å
542	K	75.1	Confident	75.2	Confident	169 Å²	169	94.1 Å²	94.1	74%	0.735	47%	0.468	S	S	*	.	H	α-helix	trans	-67	-44.2	178.6	-70.7	-175.9	-179.8	176.4	0	111.2	K539 I540 E544 L546	K539-K542 PolarHBondContact O-N 3.43Å; I540-K542 PolarHBondContact O-N 3.24Å; K542-E544 VanDerWaalsContact C-N 3.34Å; K542-L546 PolarHBondContact O-N 3.42Å
543	L	73.4	Confident	76.1	Confident	99 Å²	99	86.3 Å²	86.3	52%	0.518	43%	0.434	S	S	.	.	H	α-helix	trans	-64.7	-41.9	176.4	179.8	61.5	0	0	0	110.8	K539 I540 L546 I547	K539-L543 PolarHBondContact O-N 3.42Å; I540-L543 PolarHBondContact O-N 3.21Å; L543-L546 WeakPolarHBondContact O-CB 3.34Å; L543-L546 PolarHBondContact O-N 3.43Å; L543-I547 HydrophobicContact CD1-CD1 4.04Å; L543-I547 HydrophobicContact CD1-CG1 4.26Å; L543-I547 HydrophobicContact CD2-CD1 4.45Å; L543-I547 HydrophobicContact CG-CD1 3.82Å; L543-I547 HydrophobicContact CG-CG1 4.42Å; L543-I547 VanDerWaalsContact O-CG1 3.29Å; L543-I547 WeakPolarHBondContact O-CG1 2.87Å; L543-I547 PolarHBondContact O-N 2.91Å
544	E	78.8	Confident	77.5	Confident	66 Å²	66	82.5 Å²	82.5	31%	0.308	42%	0.415	S	S	.	.	H	α-helix	trans	-62.5	-46.9	178.3	-168.2	-174.5	168.8	0	0	111.8	R530 I540 E541 K542 L546 I547 I548	R530-E544 IonicContact CZ-OE1 3.96Å; R530-E544 IonicContact NE-OE1 2.61Å; R530-E544 PolarHBondContact NE-OE1 3.3Å; R530-E544 IonicContact NH2-OE1 3.19Å; R530-E544 PolarHBondContact NH2-OE1 2.99Å; I540-E544 VanDerWaalsContact O-CB 3.27Å; I540-E544 WeakPolarHBondContact O-CB 3.44Å; I540-E544 PolarHBondContact O-N 2.94Å; E541-E544 PolarHBondContact O-N 2.84Å; K542-E544 VanDerWaalsContact C-N 3.34Å; E544-L546 PolarHBondContact O-N 3.09Å; E544-I547 PolarHBondContact O-N 3.32Å; E544-I548 HydrophobicContact CG-CD1 4.18Å; E544-I548 WeakPolarHBondContact O-CG1 3Å; E544-I548 PolarHBondContact O-N 2.79Å
545	K	83.5	Confident	79.1	Confident	143 Å²	143	75.5 Å²	75.5	62%	0.622	39%	0.39	S	S	*	.	H	α-helix	trans	-56.1	-41.3	174.7	-76.6	173.2	-177.3	173.7	0	111.8	E541 R549	E541-K545 WeakPolarHBondContact O-CB 3Å; E541-K545 VanDerWaalsContact O-CG 3.28Å; E541-K545 WeakPolarHBondContact O-CG 3.41Å; E541-K545 PolarHBondContact O-N 3.06Å; K545-R549 WeakPolarHBondContact O-CB 3.43Å; K545-R549 PolarHBondContact O-N 3.07Å; K545-R549 VanDerWaalsContact O-N 3.09Å
546	L	83.6	Confident	80.7	Confident	41 Å²	41	71.7 Å²	71.7	22%	0.215	38%	0.375	C	S	.	.	H	α-helix	trans	-64.7	-50	176.3	173.7	56	0	0	0	112	E308 K542 L543 E544 I548 R549 I550	E308-L546 HydrophobicContact CG-CD1 3.77Å; E308-L546 HydrophobicContact CG-CD2 4.44Å; E308-L546 WeakPolarHBondContact OE1-CD1 3.27Å; E308-L546 VanDerWaalsContact OE1-CD2 3.29Å; E308-L546 WeakPolarHBondContact OE1-CD2 3.31Å; K542-L546 PolarHBondContact O-N 3.42Å; L543-L546 WeakPolarHBondContact O-CB 3.34Å; L543-L546 PolarHBondContact O-N 3.43Å; E544-L546 PolarHBondContact O-N 3.09Å; L546-I548 VanDerWaalsContact C-N 3.3Å; L546-I548 PolarHBondContact O-N 3.3Å; L546-R549 WeakPolarHBondContact O-CB 3.35Å; L546-R549 PolarHBondContact O-N 3.13Å; L546-R549 VanDerWaalsContact O-N 3.08Å; L546-I550 HydrophobicContact CD1-CD1 3.99Å; L546-I550 HydrophobicContact CD1-CG1 4.18Å; L546-I550 HydrophobicContact CG-CD1 4.17Å; L546-I550 PolarHBondContact O-N 3.12Å
547	I	86	Confident	82.5	Confident	17 Å²	17	65.9 Å²	65.9	9%	0.087	34%	0.343	C	S	.	.	H	α-helix	trans	-60.1	-40.8	-179.3	-69.2	173.1	0	0	0	110.9	W440 A444 L526 L543 E544 I550 S551	W440-I547 VanDerWaalsContact NE1-CG2 3.29Å; W440-I547 PolarHBondContact NE1-O 3.23Å; A444-I547 HydrophobicContact CB-CD1 4.45Å; A444-I547 HydrophobicContact CB-CG2 4.12Å; L526-I547 HydrophobicContact CD1-CG2 3.61Å; L543-I547 HydrophobicContact CD1-CD1 4.04Å; L543-I547 HydrophobicContact CD1-CG1 4.26Å; L543-I547 HydrophobicContact CD2-CD1 4.45Å; L543-I547 HydrophobicContact CG-CD1 3.82Å; L543-I547 HydrophobicContact CG-CG1 4.42Å; L543-I547 VanDerWaalsContact O-CG1 3.29Å; L543-I547 WeakPolarHBondContact O-CG1 2.87Å; L543-I547 PolarHBondContact O-N 2.91Å; E544-I547 PolarHBondContact O-N 3.32Å; I547-I550 PolarHBondContact O-N 3.31Å; I547-S551 PolarHBondContact O-N 3.5Å; I547-S551 VanDerWaalsContact O-N 3.07Å
548	I	86.9	Confident	84.2	Confident	59 Å²	59	63.2 Å²	63.2	30%	0.303	31%	0.312	S	S	.	.	H	α-helix	trans	-61	-47.2	174	-63.6	163.1	0	0	0	110.2	E544 L546 I550 S551 V552	E544-I548 HydrophobicContact CG-CD1 4.18Å; E544-I548 WeakPolarHBondContact O-CG1 3Å; E544-I548 PolarHBondContact O-N 2.79Å; L546-I548 VanDerWaalsContact C-N 3.3Å; L546-I548 PolarHBondContact O-N 3.3Å; I548-I550 VanDerWaalsContact C-N 3.31Å; I548-I550 PolarHBondContact O-N 2.86Å; I548-S551 WeakPolarHBondContact CA-OG 3.08Å; I548-S551 PolarHBondContact O-N 3.02Å; I548-S551 VanDerWaalsContact O-N 3.09Å; I548-S551 PolarHBondContact O-OG 3.01Å; I548-V552 HydrophobicContact CG2-CG2 4.33Å; I548-V552 WeakPolarHBondContact O-CG2 3.11Å; I548-V552 PolarHBondContact O-N 2.71Å
549	R	89.7	Confident	85.6	Confident	87 Å²	87	65.9 Å²	65.9	33%	0.328	32%	0.322	S	S	.	.	H	α-helix	trans	-59.2	-42.8	-178.1	-167.2	-169.3	-171.2	164.9	19.8	112.1	K545 L546 V552 F553 W642 W644	K545-R549 WeakPolarHBondContact O-CB 3.43Å; K545-R549 PolarHBondContact O-N 3.07Å; K545-R549 VanDerWaalsContact O-N 3.09Å; L546-R549 WeakPolarHBondContact O-CB 3.35Å; L546-R549 PolarHBondContact O-N 3.13Å; L546-R549 VanDerWaalsContact O-N 3.08Å; R549-V552 PolarHBondContact O-N 3.1Å; R549-F553 PolarHBondContact O-N 2.96Å; R549-W642 PolarHBondContact NH1-O 3.37Å; R549-W642 PolarHBondContact NH2-O 3.41Å; R549-W644 PolarHBondContact NH2-O 2.66Å; R549-W644 VanDerWaalsContact NH2-O 3.08Å
550	I	91.2	Very high	87.1	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-44.2	175.7	-66.2	170.9	0	0	0	110.2	P307 E308 L436 W440 L546 I547 I548 V552 F553 S554	P307-I550 HydrophobicContact CB-CD1 4.36Å; P307-I550 HydrophobicContact CG-CD1 3.73Å; E308-I550 HydrophobicContact CG-CD1 4.07Å; L436-I550 HydrophobicContact CD1-CG2 3.75Å; L436-I550 HydrophobicContact CG-CG2 4.11Å; W440-I550 HydrophobicContact CB-CG2 4Å; W440-I550 HydrophobicContact CG-CG2 3.94Å; L546-I550 HydrophobicContact CD1-CD1 3.99Å; L546-I550 HydrophobicContact CD1-CG1 4.18Å; L546-I550 HydrophobicContact CG-CD1 4.17Å; L546-I550 PolarHBondContact O-N 3.12Å; I547-I550 PolarHBondContact O-N 3.31Å; I548-I550 VanDerWaalsContact C-N 3.31Å; I548-I550 PolarHBondContact O-N 2.86Å; I550-V552 VanDerWaalsContact C-N 3.33Å; I550-V552 PolarHBondContact O-N 3.47Å; I550-F553 PolarHBondContact O-N 3.4Å; I550-S554 PolarHBondContact O-N 2.84Å; I550-S554 PolarHBondContact O-OG 2.04Å
551	S	91.1	Very high	88.4	Confident	5 Å²	5	54.9 Å²	54.9	4%	0.035	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-39.3	179.1	75.1	0	0	0	0	113.1	W440 I547 I548 S554 V555	W440-S551 VanDerWaalsContact CZ2-CB 3.46Å; I547-S551 PolarHBondContact O-N 3.5Å; I547-S551 VanDerWaalsContact O-N 3.07Å; I548-S551 WeakPolarHBondContact CA-OG 3.08Å; I548-S551 PolarHBondContact O-N 3.02Å; I548-S551 VanDerWaalsContact O-N 3.09Å; I548-S551 PolarHBondContact O-OG 3.01Å; S551-S554 PolarHBondContact O-N 3.48Å; S551-V555 VanDerWaalsContact O-CG2 3.31Å; S551-V555 WeakPolarHBondContact O-CG2 3.47Å; S551-V555 PolarHBondContact O-N 3.29Å
552	V	92	Very high	89.4	Confident	78 Å²	78	54.9 Å²	54.9	47%	0.473	28%	0.278	S	S	.	.	H	α-helix	trans	-63.7	-45.4	176.6	172.3	0	0	0	0	110.7	I548 R549 I550 V555 L556	I548-V552 HydrophobicContact CG2-CG2 4.33Å; I548-V552 WeakPolarHBondContact O-CG2 3.11Å; I548-V552 PolarHBondContact O-N 2.71Å; R549-V552 PolarHBondContact O-N 3.1Å; I550-V552 VanDerWaalsContact C-N 3.33Å; I550-V552 PolarHBondContact O-N 3.47Å; V552-V555 PolarHBondContact O-N 3.5Å; V552-L556 HydrophobicContact CG1-CD1 4.06Å; V552-L556 HydrophobicContact CG1-CG 4.49Å; V552-L556 WeakPolarHBondContact O-CB 3.29Å; V552-L556 WeakPolarHBondContact O-CG 3.39Å; V552-L556 PolarHBondContact O-N 3.06Å
553	F	92.5	Very high	90.5	Very high	7 Å²	7	48.2 Å²	48.2	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-44.2	176.3	-178.2	-95.4	0	0	0	111.9	I311 L314 L436 R549 I550 V555 L556 Y557 W642	I311-F553 HydrophobicContact CD1-CD1 4.04Å; I311-F553 HydrophobicContact CD1-CE1 4.47Å; I311-F553 HydrophobicContact CD1-CG 4.38Å; I311-F553 HydrophobicContact CG1-CD1 4.03Å; I311-F553 HydrophobicContact CG1-CE1 4.02Å; I311-F553 HydrophobicContact CG2-CE1 4.15Å; I311-F553 HydrophobicContact CG2-CZ 4.11Å; L314-F553 HydrophobicContact CD1-CE1 4.43Å; L314-F553 HydrophobicContact CD2-CE1 4.48Å; L314-F553 HydrophobicContact CD2-CZ 4.02Å; L436-F553 HydrophobicContact CD2-CD1 3.68Å; L436-F553 HydrophobicContact CD2-CE1 4.03Å; R549-F553 PolarHBondContact O-N 2.96Å; I550-F553 PolarHBondContact O-N 3.4Å; F553-V555 PolarHBondContact O-N 3.01Å; F553-L556 PolarHBondContact O-N 2.76Å; F553-Y557 PolarHBondContact O-N 3.28Å; F553-W642 HydrophobicContact CD2-CB 4.32Å
554	S	93.1	Very high	91.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.2	-42.4	176.7	-72.1	0	0	0	0	112.5	W433 L436 N437 I550 S551 Y557 T558	W433-S554 PolarHBondContact NE1-O 2.98Å; L436-S554 WeakPolarHBondContact CD2-OG 3.36Å; N437-S554 VanDerWaalsContact OD1-CB 3.31Å; N437-S554 WeakPolarHBondContact OD1-CB 3.43Å; N437-S554 PolarHBondContact OD1-OG 3.21Å; N437-S554 VanDerWaalsContact OD1-OG 3.11Å; I550-S554 PolarHBondContact O-N 2.84Å; I550-S554 PolarHBondContact O-OG 2.04Å; S551-S554 PolarHBondContact O-N 3.48Å; S554-Y557 WeakPolarHBondContact O-CB 3.38Å; S554-Y557 PolarHBondContact O-N 3.09Å; S554-T558 PolarHBondContact O-N 3.38Å
555	V	93.6	Very high	92.4	Very high	58 Å²	58	42.1 Å²	42.1	35%	0.352	22%	0.222	S	C	.	.	H	α-helix	trans	-64.8	-44.3	175.3	171.9	0	0	0	0	110.7	L519 F523 S551 V552 F553 Y557 T558	L519-V555 HydrophobicContact CD1-CG2 4.41Å; L519-V555 HydrophobicContact CD2-CG2 4Å; F523-V555 HydrophobicContact CE2-CG2 3.73Å; F523-V555 HydrophobicContact CZ-CG2 3.93Å; S551-V555 VanDerWaalsContact O-CG2 3.31Å; S551-V555 WeakPolarHBondContact O-CG2 3.47Å; S551-V555 PolarHBondContact O-N 3.29Å; V552-V555 PolarHBondContact O-N 3.5Å; F553-V555 PolarHBondContact O-N 3.01Å; V555-Y557 PolarHBondContact O-N 3.27Å; V555-T558 WeakPolarHBondContact O-CB 3.44Å; V555-T558 PolarHBondContact O-N 3.12Å; V555-T558 PolarHBondContact O-OG1 3.15Å
556	L	92.8	Very high	93	Very high	91 Å²	91	37.4 Å²	37.4	48%	0.476	21%	0.21	S	C	.	.	H	α-helix	trans	-60.9	-31.3	178.1	-74.4	173.1	0	0	0	112.9	V552 F553 P560	V552-L556 HydrophobicContact CG1-CD1 4.06Å; V552-L556 HydrophobicContact CG1-CG 4.49Å; V552-L556 WeakPolarHBondContact O-CB 3.29Å; V552-L556 WeakPolarHBondContact O-CG 3.39Å; V552-L556 PolarHBondContact O-N 3.06Å; F553-L556 PolarHBondContact O-N 2.76Å; L556-P560 WeakPolarHBondContact O-CD 3.46Å
557	Y	94.7	Very high	93.6	Very high	8 Å²	8	36 Å²	36	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-35.9	172.5	-177.8	-77.1	0	0	0	112.8	L314 Y318 S430 W433 F553 S554 V555 V559 P560 A561 V635	L314-Y557 HydrophobicContact CD1-CD2 3.91Å; L314-Y557 HydrophobicContact CD1-CE2 3.76Å; Y318-Y557 HydrophobicContact CE2-CE2 4.37Å; S430-Y557 WeakPolarHBondContact CA-OH 3.44Å; S430-Y557 PolarHBondContact OG-OH 3.23Å; W433-Y557 HydrophobicContact CB-CD1 4.21Å; W433-Y557 HydrophobicContact CB-CD2 4.3Å; W433-Y557 HydrophobicContact CB-CE1 3.91Å; W433-Y557 HydrophobicContact CB-CE2 4Å; W433-Y557 HydrophobicContact CB-CG 4.44Å; W433-Y557 AromaticContact CD1-CD1 3.33Å; W433-Y557 AromaticContact CD1-CD2 3.66Å; W433-Y557 AromaticContact CD1-CE1 3.93Å; W433-Y557 AromaticContact CD1-CG 3.21Å; W433-Y557 AromaticContact CD2-CD1 3.48Å; W433-Y557 HydrophobicContact CD2-CD1 3.48Å; W433-Y557 VanDerWaalsContact CD2-CD1 3.48Å; W433-Y557 AromaticContact CD2-CE1 3.65Å; W433-Y557 HydrophobicContact CD2-CE1 3.65Å; W433-Y557 HydrophobicContact CD2-CG 4.2Å; W433-Y557 AromaticContact CE2-CD1 3.47Å; W433-Y557 VanDerWaalsContact CE2-CD1 3.47Å; W433-Y557 HydrophobicContact CE3-CD1 4.25Å; W433-Y557 HydrophobicContact CE3-CE1 4.08Å; W433-Y557 AromaticContact CG-CD1 3.42Å; W433-Y557 HydrophobicContact CG-CD1 3.42Å; W433-Y557 VanDerWaalsContact CG-CD1 3.42Å; W433-Y557 HydrophobicContact CG-CD2 4.05Å; W433-Y557 AromaticContact CG-CE1 3.55Å; W433-Y557 HydrophobicContact CG-CE1 3.55Å; W433-Y557 HydrophobicContact CG-CE2 4.15Å; W433-Y557 AromaticContact CG-CG 3.72Å; W433-Y557 HydrophobicContact CG-CG 3.72Å; W433-Y557 AromaticContact CG-CZ 3.94Å; W433-Y557 HydrophobicContact CZ2-CD1 4.24Å; W433-Y557 AromaticContact NE1-CD1 3.35Å; W433-Y557 AromaticContact NE1-CG 3.42Å; F553-Y557 PolarHBondContact O-N 3.28Å; S554-Y557 WeakPolarHBondContact O-CB 3.38Å; S554-Y557 PolarHBondContact O-N 3.09Å; V555-Y557 PolarHBondContact O-N 3.27Å; Y557-V559 PolarHBondContact O-N 3.46Å; Y557-P560 WeakPolarHBondContact O-CD 3.35Å; Y557-A561 HydrophobicContact CD1-CB 4.14Å; Y557-A561 HydrophobicContact CE1-CB 3.85Å; Y557-A561 WeakPolarHBondContact O-CB 3.18Å; Y557-A561 PolarHBondContact O-N 2.83Å; Y557-V635 HydrophobicContact CD2-CB 4.43Å; Y557-V635 HydrophobicContact CD2-CG1 3.34Å; Y557-V635 HydrophobicContact CD2-CG2 4.21Å; Y557-V635 HydrophobicContact CE2-CG1 3.58Å; Y557-V635 HydrophobicContact CE2-CG2 4.38Å; Y557-V635 HydrophobicContact CG-CG1 4.44Å
558	T	95.5	Very high	94	Very high	18 Å²	18	35.5 Å²	35.5	11%	0.11	20%	0.201	C	C	.	.	H	α-helix	trans	-60.8	-31.9	-178	63	0	0	0	0	112.8	W433 T516 L519 S554 V555 A561 L562	W433-T558 HydrophobicContact CH2-CG2 3.92Å; W433-T558 HydrophobicContact CZ2-CG2 3.42Å; W433-T558 VanDerWaalsContact CZ2-CG2 3.42Å; T516-T558 HydrophobicContact CG2-CG2 4.1Å; L519-T558 HydrophobicContact CD2-CG2 3.91Å; S554-T558 PolarHBondContact O-N 3.38Å; V555-T558 WeakPolarHBondContact O-CB 3.44Å; V555-T558 PolarHBondContact O-N 3.12Å; V555-T558 PolarHBondContact O-OG1 3.15Å; T558-A561 PolarHBondContact O-N 2.94Å; T558-L562 WeakPolarHBondContact O-CB 3.41Å; T558-L562 VanDerWaalsContact O-CG 3.27Å; T558-L562 WeakPolarHBondContact O-CG 3.47Å; T558-L562 PolarHBondContact O-N 3.47Å
559	V	94.9	Very high	94.5	Very high	88 Å²	88	36.5 Å²	36.5	53%	0.533	21%	0.206	S	C	.	.	H	α-helix	trans	-67.5	-54.8	-176.7	174	0	0	0	0	111.8	Y557 A561 L562 C563	Y557-V559 PolarHBondContact O-N 3.46Å; V559-A561 VanDerWaalsContact C-N 3.33Å; V559-A561 PolarHBondContact O-N 3.43Å; V559-L562 PolarHBondContact O-N 2.55Å; V559-C563 WeakPolarHBondContact O-CB 3.25Å; V559-C563 PolarHBondContact O-N 3.44Å
560	P	96.2	Very high	94.7	Very high	8 Å²	8	36.1 Å²	36.1	5%	0.052	21%	0.21	C	C	.	.	H	α-helix	trans	-57.9	-41.7	171.3	-26.6	35.1	0	0	0	113.4	L556 Y557 L562 C563 L564 M631 V634 V635	L556-P560 WeakPolarHBondContact O-CD 3.46Å; Y557-P560 WeakPolarHBondContact O-CD 3.35Å; P560-L562 PolarHBondContact O-N 2.96Å; P560-C563 PolarHBondContact O-N 3.28Å; P560-L564 VanDerWaalsContact O-CG 3.31Å; P560-L564 WeakPolarHBondContact O-CG 3.45Å; P560-L564 PolarHBondContact O-N 2.81Å; P560-M631 HydrophobicContact CB-CB 4.05Å; P560-M631 WeakPolarHBondContact CB-O 3.16Å; P560-M631 HydrophobicContact CB-SD 3.94Å; P560-M631 HydrophobicContact CG-SD 4.06Å; P560-V634 HydrophobicContact CG-CG1 4.29Å; P560-V635 HydrophobicContact CB-CG2 3.64Å; P560-V635 HydrophobicContact CG-CG2 3.82Å
561	A	96.4	Very high	94.8	Very high	14 Å²	14	36.6 Å²	36.6	12%	0.116	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-43.3	-179.8	0	0	0	0	0	112.8	L512 Y557 T558 V559 C563 L564 I565	L512-A561 HydrophobicContact CD1-CB 4.01Å; Y557-A561 HydrophobicContact CD1-CB 4.14Å; Y557-A561 HydrophobicContact CE1-CB 3.85Å; Y557-A561 WeakPolarHBondContact O-CB 3.18Å; Y557-A561 PolarHBondContact O-N 2.83Å; T558-A561 PolarHBondContact O-N 2.94Å; V559-A561 VanDerWaalsContact C-N 3.33Å; V559-A561 PolarHBondContact O-N 3.43Å; A561-C563 VanDerWaalsContact C-N 3.35Å; A561-L564 PolarHBondContact O-N 2.99Å; A561-I565 WeakPolarHBondContact O-CG1 3.42Å; A561-I565 PolarHBondContact O-N 2.95Å; A561-I565 VanDerWaalsContact O-N 3.07Å
562	L	97.2	Very high	95	Very high	97 Å²	97	36.9 Å²	36.9	51%	0.508	21%	0.213	S	C	.	.	H	α-helix	trans	-62.5	-42.1	173.8	-79.3	166.9	0	0	0	111.8	L512 T558 V559 P560 I565 A566	L512-L562 HydrophobicContact CD2-CD2 3.49Å; L512-L562 VanDerWaalsContact CD2-CD2 3.49Å; L512-L562 HydrophobicContact CD2-CG 3.82Å; T558-L562 WeakPolarHBondContact O-CB 3.41Å; T558-L562 VanDerWaalsContact O-CG 3.27Å; T558-L562 WeakPolarHBondContact O-CG 3.47Å; T558-L562 PolarHBondContact O-N 3.47Å; V559-L562 PolarHBondContact O-N 2.55Å; P560-L562 PolarHBondContact O-N 2.96Å; L562-I565 PolarHBondContact O-N 2.99Å; L562-A566 WeakPolarHBondContact O-CB 3.45Å; L562-A566 PolarHBondContact O-N 2.99Å
563	C	96.7	Very high	95	Very high	28 Å²	28	37.7 Å²	37.7	19%	0.189	22%	0.219	C	C	.	.	H	α-helix	trans	-65.6	-41.2	179.2	-170.8	0	0	0	0	112.1	V559 P560 A561 A566 C567 L627 M631	V559-C563 WeakPolarHBondContact O-CB 3.25Å; V559-C563 PolarHBondContact O-N 3.44Å; P560-C563 PolarHBondContact O-N 3.28Å; A561-C563 VanDerWaalsContact C-N 3.35Å; C563-A566 PolarHBondContact O-N 3.28Å; C563-C567 PolarHBondContact O-N 2.9Å; C563-C567 PolarHBondContact O-SG 3.38Å; C563-L627 WeakPolarHBondContact SG-CD2 3.27Å; C563-L627 VanDerWaalsContact SG-CG 3.55Å; C563-M631 HydrophobicContact CB-CB 4.43Å; C563-M631 HydrophobicContact CB-CG 3.8Å; C563-M631 HydrophobicContact CB-SD 4.34Å
564	L	96.1	Very high	95	Very high	25 Å²	25	41.7 Å²	41.7	13%	0.131	24%	0.236	C	C	.	.	H	α-helix	trans	-60.3	-49.2	174.2	-71.8	174.3	0	0	0	111.7	P560 A561 A566 C567 D568 K628 M631 T632	P560-L564 VanDerWaalsContact O-CG 3.31Å; P560-L564 WeakPolarHBondContact O-CG 3.45Å; P560-L564 PolarHBondContact O-N 2.81Å; A561-L564 PolarHBondContact O-N 2.99Å; L564-A566 VanDerWaalsContact C-N 3.29Å; L564-A566 PolarHBondContact O-N 3.26Å; L564-C567 PolarHBondContact O-N 3.48Å; L564-D568 PolarHBondContact O-N 3.35Å; L564-K628 HydrophobicContact CD2-CG 3.95Å; L564-K628 WeakPolarHBondContact CD2-O 3.12Å; L564-M631 HydrophobicContact CD2-CB 3.99Å; L564-M631 HydrophobicContact CG-CB 3.99Å; L564-T632 VanDerWaalsContact CD2-OG1 3.32Å; L564-T632 WeakPolarHBondContact CD2-OG1 3.43Å
565	I	97.1	Very high	94.9	Very high	12 Å²	12	42 Å²	42	6%	0.062	24%	0.237	C	C	.	.	H	α-helix	trans	-59	-41.9	176.1	-73.7	169.2	0	0	0	110.9	L505 L508 L512 A561 L562 D568 L569	L505-I565 HydrophobicContact CD1-CB 4.46Å; L505-I565 HydrophobicContact CD1-CG2 3.91Å; L508-I565 HydrophobicContact CB-CD1 4.3Å; L508-I565 HydrophobicContact CB-CG1 4.17Å; L512-I565 HydrophobicContact CB-CD1 3.99Å; L512-I565 HydrophobicContact CD2-CD1 3.57Å; L512-I565 HydrophobicContact CG-CD1 4.41Å; A561-I565 WeakPolarHBondContact O-CG1 3.42Å; A561-I565 PolarHBondContact O-N 2.95Å; A561-I565 VanDerWaalsContact O-N 3.07Å; L562-I565 PolarHBondContact O-N 2.99Å; I565-D568 PolarHBondContact O-N 3.29Å; I565-L569 HydrophobicContact CG2-CD1 3.83Å; I565-L569 HydrophobicContact CG2-CG 4.37Å; I565-L569 WeakPolarHBondContact O-CB 3.44Å; I565-L569 VanDerWaalsContact O-CG 3.22Å; I565-L569 WeakPolarHBondContact O-CG 3.3Å; I565-L569 PolarHBondContact O-N 3.35Å
566	A	96.7	Very high	94.7	Very high	45 Å²	45	41.1 Å²	41.1	37%	0.372	23%	0.232	S	C	.	.	H	α-helix	trans	-63.4	-43.7	176.5	0	0	0	0	0	112.3	L562 C563 L564 L569 I570	L562-A566 WeakPolarHBondContact O-CB 3.45Å; L562-A566 PolarHBondContact O-N 2.99Å; C563-A566 PolarHBondContact O-N 3.28Å; L564-A566 VanDerWaalsContact C-N 3.29Å; L564-A566 PolarHBondContact O-N 3.26Å; A566-L569 PolarHBondContact O-N 2.8Å; A566-I570 VanDerWaalsContact O-CG1 3.28Å; A566-I570 WeakPolarHBondContact O-CG1 3.34Å; A566-I570 PolarHBondContact O-N 3.13Å
567	C	96.1	Very high	94.6	Very high	12 Å²	12	40.2 Å²	40.2	8%	0.081	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-43.3	176.3	-65.6	0	0	0	0	111.5	C563 L564 I570 Q571 K628	C563-C567 PolarHBondContact O-N 2.9Å; C563-C567 PolarHBondContact O-SG 3.38Å; L564-C567 PolarHBondContact O-N 3.48Å; C567-I570 PolarHBondContact O-N 3.18Å; C567-Q571 PolarHBondContact O-N 2.67Å; C567-K628 HydrophobicContact CB-CB 4.02Å; C567-K628 HydrophobicContact CB-CD 4.42Å; C567-K628 HydrophobicContact CB-CG 4.3Å
568	D	94.6	Very high	94.4	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.032	23%	0.227	C	C	.	.	H	α-helix	trans	-67.1	-37.6	177.6	-77.2	-29	0	0	0	112.3	R500 L505 L564 I565 Q571 V572 K628	R500-D568 IonicContact CZ-OD1 2.76Å; R500-D568 VanDerWaalsContact CZ-OD1 3.24Å; R500-D568 IonicContact NE-OD1 3.66Å; R500-D568 PolarHBondContact NE-OD1 3.33Å; R500-D568 IonicContact NH2-OD1 3.7Å; R500-D568 PolarHBondContact NH2-OD1 3.33Å; L505-D568 HydrophobicContact CD1-CB 4.24Å; L564-D568 PolarHBondContact O-N 3.35Å; I565-D568 PolarHBondContact O-N 3.29Å; D568-Q571 PolarHBondContact O-N 2.92Å; D568-V572 WeakPolarHBondContact O-CB 3.38Å; D568-V572 WeakPolarHBondContact O-CG2 3.26Å; D568-V572 PolarHBondContact O-N 2.81Å; D568-K628 IonicContact OD1-NZ 3.96Å
569	L	95.8	Very high	94.2	Very high	79 Å²	79	39.7 Å²	39.7	41%	0.414	22%	0.221	S	C	.	.	H	α-helix	trans	-61.4	-44.4	172.6	-79.2	167	0	0	0	111.5	L505 I565 A566 Q571 V572 T573	L505-L569 HydrophobicContact CD1-CD2 4.24Å; L505-L569 HydrophobicContact CD1-CG 3.96Å; L505-L569 HydrophobicContact CD2-CD2 3.54Å; L505-L569 HydrophobicContact CD2-CG 4.09Å; L505-L569 HydrophobicContact CG-CD2 4.47Å; I565-L569 HydrophobicContact CG2-CD1 3.83Å; I565-L569 HydrophobicContact CG2-CG 4.37Å; I565-L569 WeakPolarHBondContact O-CB 3.44Å; I565-L569 VanDerWaalsContact O-CG 3.22Å; I565-L569 WeakPolarHBondContact O-CG 3.3Å; I565-L569 PolarHBondContact O-N 3.35Å; A566-L569 PolarHBondContact O-N 2.8Å; L569-Q571 VanDerWaalsContact C-N 3.35Å; L569-V572 PolarHBondContact O-N 3.43Å; L569-T573 WeakPolarHBondContact O-CB 3.49Å; L569-T573 WeakPolarHBondContact O-CG2 3.46Å; L569-T573 PolarHBondContact O-N 2.02Å; L569-T573 PolarHBondContact O-OG1 2.99Å
570	I	94.5	Very high	94	Very high	79 Å²	79	35.6 Å²	35.6	41%	0.405	20%	0.197	S	C	.	.	H	α-helix	trans	-61	-47.3	174.9	-66.7	163.7	0	0	0	109.7	A566 C567 V572 T573 K574 W578	A566-I570 VanDerWaalsContact O-CG1 3.28Å; A566-I570 WeakPolarHBondContact O-CG1 3.34Å; A566-I570 PolarHBondContact O-N 3.13Å; C567-I570 PolarHBondContact O-N 3.18Å; I570-V572 PolarHBondContact O-N 2.79Å; I570-T573 PolarHBondContact O-N 2.94Å; I570-T573 PolarHBondContact O-OG1 3.38Å; I570-K574 HydrophobicContact CG2-CG 4.37Å; I570-K574 VanDerWaalsContact O-CB 3.3Å; I570-K574 WeakPolarHBondContact O-CB 3.44Å; I570-K574 PolarHBondContact O-N 3.35Å; I570-W578 HydrophobicContact CG2-CH2 3.92Å; I570-W578 HydrophobicContact CG2-CZ2 3.92Å
571	Q	93.8	Very high	93.7	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.047	20%	0.195	C	C	.	.	H	α-helix	trans	-57.4	-51.4	178.9	-177.4	169.3	-7.5	0	0	111.3	N494 R500 C567 D568 L569 F575 W578	N494-Q571 PolarHBondContact O-NE2 2.78Å; N494-Q571 PolarHBondContact OD1-NE2 3.44Å; N494-Q571 VanDerWaalsContact OD1-NE2 3.09Å; R500-Q571 VanDerWaalsContact CZ-CD 3.47Å; C567-Q571 PolarHBondContact O-N 2.67Å; D568-Q571 PolarHBondContact O-N 2.92Å; L569-Q571 VanDerWaalsContact C-N 3.35Å; Q571-F575 VanDerWaalsContact O-CB 3.24Å; Q571-F575 WeakPolarHBondContact O-CB 3.47Å; Q571-F575 PolarHBondContact O-N 3.03Å; Q571-W578 HydrophobicContact CB-CZ3 4.32Å; Q571-W578 HydrophobicContact CG-CZ3 4.28Å
572	V	94.1	Very high	93.5	Very high	11 Å²	11	35.3 Å²	35.3	7%	0.067	19%	0.192	C	C	.	.	H	α-helix	trans	-67.1	-39	-177.8	172.3	0	0	0	0	112.5	P497 R500 R501 D568 L569 I570	P497-V572 HydrophobicContact CB-CG1 4.31Å; R500-V572 HydrophobicContact CB-CG2 4.02Å; R500-V572 HydrophobicContact CG-CG2 4.18Å; R501-V572 HydrophobicContact CB-CG1 4.17Å; R501-V572 HydrophobicContact CG-CG1 4.47Å; D568-V572 WeakPolarHBondContact O-CB 3.38Å; D568-V572 WeakPolarHBondContact O-CG2 3.26Å; D568-V572 PolarHBondContact O-N 2.81Å; L569-V572 PolarHBondContact O-N 3.43Å; I570-V572 PolarHBondContact O-N 2.79Å
573	T	93.2	Very high	93.3	Very high	95 Å²	95	30.9 Å²	30.9	58%	0.583	17%	0.168	S	C	*	.	H	α-helix	trans	-78.7	-30.8	-176.1	55.8	0	0	0	0	113.4	L569 I570	L569-T573 WeakPolarHBondContact O-CB 3.49Å; L569-T573 WeakPolarHBondContact O-CG2 3.46Å; L569-T573 PolarHBondContact O-N 2.02Å; L569-T573 PolarHBondContact O-OG1 2.99Å; I570-T573 PolarHBondContact O-N 2.94Å; I570-T573 PolarHBondContact O-OG1 3.38Å
574	K	92.1	Very high	92.9	Very high	91 Å²	91	30 Å²	30	40%	0.396	16%	0.162	S	C	.	.	H	α-helix	trans	-100.4	-11.1	-176.7	-61.7	-59.7	-169.6	177.8	0	114.1	I570 T576 Q577 W578	I570-K574 HydrophobicContact CG2-CG 4.37Å; I570-K574 VanDerWaalsContact O-CB 3.3Å; I570-K574 WeakPolarHBondContact O-CB 3.44Å; I570-K574 PolarHBondContact O-N 3.35Å; K574-T576 VanDerWaalsContact C-N 3.32Å; K574-T576 PolarHBondContact O-N 3.02Å; K574-Q577 WeakPolarHBondContact O-CB 3.41Å; K574-Q577 PolarHBondContact O-N 3.2Å; K574-W578 HydrophobicContact CB-CD2 3.93Å; K574-W578 HydrophobicContact CB-CE3 4.47Å; K574-W578 HydrophobicContact CB-CG 4.48Å; K574-W578 HydrophobicContact CB-CH2 4.11Å; K574-W578 HydrophobicContact CB-CZ2 3.49Å; K574-W578 VanDerWaalsContact CB-CZ2 3.49Å; K574-W578 HydrophobicContact CG-CZ2 4.21Å; K574-W578 PolarHBondContact O-N 3.31Å
575	F	91.7	Very high	92.6	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-45.7	-51.7	-177.3	-170.2	-97.9	0	0	0	113.6	W495 P497 Q571 Q577 W578 M579	W495-F575 HydrophobicContact CB-CZ 4.41Å; W495-F575 AromaticContact CE3-CE2 3.89Å; W495-F575 HydrophobicContact CE3-CE2 3.89Å; W495-F575 AromaticContact CE3-CZ 3.98Å; W495-F575 HydrophobicContact CE3-CZ 3.98Å; W495-F575 HydrophobicContact CZ3-CE2 4.42Å; W495-F575 WeakPolarHBondContact O-CZ 3.17Å; P497-F575 HydrophobicContact CB-CB 4.25Å; P497-F575 HydrophobicContact CB-CD1 4.4Å; P497-F575 HydrophobicContact CB-CG 4.4Å; P497-F575 HydrophobicContact CG-CD1 3.92Å; P497-F575 HydrophobicContact CG-CG 4.4Å; Q571-F575 VanDerWaalsContact O-CB 3.24Å; Q571-F575 WeakPolarHBondContact O-CB 3.47Å; Q571-F575 PolarHBondContact O-N 3.03Å; F575-Q577 VanDerWaalsContact C-N 3.31Å; F575-Q577 PolarHBondContact O-N 3.36Å; F575-W578 PolarHBondContact O-N 2.76Å; F575-M579 HydrophobicContact CD1-CG 3.92Å; F575-M579 HydrophobicContact CE1-CG 3.51Å; F575-M579 HydrophobicContact CE1-SD 4.4Å; F575-M579 HydrophobicContact CE2-CG 4.36Å; F575-M579 HydrophobicContact CZ-CG 3.75Å; F575-M579 HydrophobicContact CZ-SD 4.09Å; F575-M579 WeakPolarHBondContact O-CG 3.41Å; F575-M579 PolarHBondContact O-N 3.45Å
576	T	88.9	Confident	92.2	Very high	40 Å²	40	34 Å²	34	25%	0.245	18%	0.181	C	C	.	.	H	α-helix	trans	-60.9	-39.4	-178	-54.6	0	0	0	0	112.5	G251 K574 V580	G251-T576 VanDerWaalsContact CA-CG2 3.41Å; G251-T576 VanDerWaalsContact O-CG2 3.31Å; G251-T576 WeakPolarHBondContact O-CG2 3.18Å; K574-T576 VanDerWaalsContact C-N 3.32Å; K574-T576 PolarHBondContact O-N 3.02Å; T576-V580 WeakPolarHBondContact O-CG2 3.45Å; T576-V580 PolarHBondContact O-N 2.88Å; T576-V580 VanDerWaalsContact O-N 3.15Å
577	Q	89.5	Confident	92	Very high	72 Å²	72	31.9 Å²	31.9	34%	0.336	16%	0.164	S	C	.	.	H	α-helix	trans	-67.3	-45.1	177.2	-64.8	-176.2	-26.4	0	0	110.6	K574 F575 M579 V580 T581 W607 P618	K574-Q577 WeakPolarHBondContact O-CB 3.41Å; K574-Q577 PolarHBondContact O-N 3.2Å; F575-Q577 VanDerWaalsContact C-N 3.31Å; F575-Q577 PolarHBondContact O-N 3.36Å; Q577-M579 VanDerWaalsContact C-N 3.34Å; Q577-M579 PolarHBondContact O-N 2.83Å; Q577-V580 PolarHBondContact O-N 3.19Å; Q577-T581 WeakPolarHBondContact O-CB 3.13Å; Q577-T581 PolarHBondContact O-N 2.82Å; Q577-T581 PolarHBondContact O-OG1 2.92Å; Q577-W607 HydrophobicContact CB-CH2 4.17Å; Q577-W607 HydrophobicContact CG-CH2 4.46Å; Q577-W607 HydrophobicContact CG-CZ3 4.5Å; Q577-P618 HydrophobicContact CB-CB 4.3Å; Q577-P618 HydrophobicContact CB-CG 4.1Å
578	W	92.1	Very high	91.7	Very high	15 Å²	15	38.3 Å²	38.3	6%	0.057	19%	0.186	C	C	.	.	H	α-helix	trans	-61.3	-41.1	177.4	-61	-22.7	0	0	0	112.3	F266 I570 Q571 K574 F575 T581 W582 K619 P620 F625	F266-W578 HydrophobicContact CE1-CB 3.84Å; F266-W578 HydrophobicContact CZ-CB 4.04Å; I570-W578 HydrophobicContact CG2-CH2 3.92Å; I570-W578 HydrophobicContact CG2-CZ2 3.92Å; Q571-W578 HydrophobicContact CB-CZ3 4.32Å; Q571-W578 HydrophobicContact CG-CZ3 4.28Å; K574-W578 HydrophobicContact CB-CD2 3.93Å; K574-W578 HydrophobicContact CB-CE3 4.47Å; K574-W578 HydrophobicContact CB-CG 4.48Å; K574-W578 HydrophobicContact CB-CH2 4.11Å; K574-W578 HydrophobicContact CB-CZ2 3.49Å; K574-W578 VanDerWaalsContact CB-CZ2 3.49Å; K574-W578 HydrophobicContact CG-CZ2 4.21Å; K574-W578 PolarHBondContact O-N 3.31Å; F575-W578 PolarHBondContact O-N 2.76Å; W578-T581 PolarHBondContact O-N 2.95Å; W578-W582 VanDerWaalsContact O-CB 3.24Å; W578-W582 WeakPolarHBondContact O-CB 3.38Å; W578-W582 PolarHBondContact O-N 3.08Å; W578-K619 VanDerWaalsContact CD1-C 3.47Å; W578-K619 VanDerWaalsContact NE1-C 3.29Å; W578-K619 PolarHBondContact NE1-O 2.75Å; W578-P620 HydrophobicContact CD2-CB 3.92Å; W578-P620 HydrophobicContact CD2-CG 4.37Å; W578-P620 HydrophobicContact CE3-CB 3.94Å; W578-P620 HydrophobicContact CE3-CG 4.49Å; W578-P620 HydrophobicContact CH2-CB 3.99Å; W578-P620 HydrophobicContact CZ2-CB 3.98Å; W578-P620 HydrophobicContact CZ3-CB 3.97Å; W578-F625 HydrophobicContact CH2-CE2 4.34Å; W578-F625 HydrophobicContact CZ3-CE2 4.37Å; W578-F625 HydrophobicContact CZ3-CZ 4.17Å
579	M	91.5	Very high	91.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.1	-42.1	178.5	-78.3	-57.5	-59.5	0	0	112.9	V248 V250 L260 M265 F266 F575 Q577 W582 Y583	V248-M579 HydrophobicContact CG1-CE 3.61Å; V250-M579 HydrophobicContact CG2-CE 4.08Å; L260-M579 HydrophobicContact CD2-CE 3.94Å; M265-M579 HydrophobicContact CE-CE 4.4Å; M265-M579 HydrophobicContact CE-SD 4.06Å; F266-M579 HydrophobicContact CE1-SD 4.4Å; F266-M579 HydrophobicContact CZ-SD 3.86Å; F575-M579 HydrophobicContact CD1-CG 3.92Å; F575-M579 HydrophobicContact CE1-CG 3.51Å; F575-M579 HydrophobicContact CE1-SD 4.4Å; F575-M579 HydrophobicContact CE2-CG 4.36Å; F575-M579 HydrophobicContact CZ-CG 3.75Å; F575-M579 HydrophobicContact CZ-SD 4.09Å; F575-M579 WeakPolarHBondContact O-CG 3.41Å; F575-M579 PolarHBondContact O-N 3.45Å; Q577-M579 VanDerWaalsContact C-N 3.34Å; Q577-M579 PolarHBondContact O-N 2.83Å; M579-W582 HydrophobicContact CE-CE3 4.14Å; M579-W582 HydrophobicContact CE-CZ3 4.49Å; M579-W582 PolarHBondContact O-N 3.24Å; M579-Y583 WeakPolarHBondContact O-CB 3.41Å; M579-Y583 PolarHBondContact O-N 2.8Å
580	V	90.5	Very high	91.1	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	21%	0.213	C	C	.	.	H	α-helix	trans	-66.5	-43.7	175.8	164.1	0	0	0	0	111	Y230 V250 G251 T576 Q577 W582 Y583 D584 I605 W607	Y230-V580 HydrophobicContact CE1-CG1 4.43Å; Y230-V580 VanDerWaalsContact OH-CG1 3.28Å; Y230-V580 WeakPolarHBondContact OH-CG1 3.49Å; V250-V580 HydrophobicContact CG1-CG2 4.05Å; G251-V580 VanDerWaalsContact CA-CG2 3.5Å; G251-V580 VanDerWaalsContact N-CG2 3.31Å; T576-V580 WeakPolarHBondContact O-CG2 3.45Å; T576-V580 PolarHBondContact O-N 2.88Å; T576-V580 VanDerWaalsContact O-N 3.15Å; Q577-V580 PolarHBondContact O-N 3.19Å; V580-W582 VanDerWaalsContact C-N 3.34Å; V580-Y583 PolarHBondContact O-N 3.19Å; V580-D584 PolarHBondContact O-N 3.43Å; V580-I605 HydrophobicContact CG1-CG2 4.24Å; V580-W607 HydrophobicContact CB-CH2 3.64Å; V580-W607 HydrophobicContact CB-CZ3 4.08Å; V580-W607 HydrophobicContact CG1-CH2 3.43Å; V580-W607 VanDerWaalsContact CG1-CH2 3.43Å; V580-W607 HydrophobicContact CG1-CZ2 4.25Å; V580-W607 HydrophobicContact CG1-CZ3 3.75Å
581	T	89.8	Confident	90.7	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-61	-44.2	174.3	-75	0	0	0	0	111.7	Q577 W578 D584 M585 W607 L617 P618	Q577-T581 WeakPolarHBondContact O-CB 3.13Å; Q577-T581 PolarHBondContact O-N 2.82Å; Q577-T581 PolarHBondContact O-OG1 2.92Å; W578-T581 PolarHBondContact O-N 2.95Å; T581-D584 PolarHBondContact O-N 2.85Å; T581-M585 HydrophobicContact CG2-CG 4.26Å; T581-M585 HydrophobicContact CG2-SD 3.72Å; T581-M585 WeakPolarHBondContact O-CB 3.31Å; T581-M585 VanDerWaalsContact O-CG 3.24Å; T581-M585 WeakPolarHBondContact O-CG 3.48Å; T581-M585 PolarHBondContact O-N 3.3Å; T581-W607 WeakPolarHBondContact OG1-CZ2 3.48Å; T581-L617 HydrophobicContact CG2-CB 3.7Å; T581-L617 HydrophobicContact CG2-CD2 3.93Å; T581-L617 HydrophobicContact CG2-CG 4.4Å; T581-P618 WeakPolarHBondContact CB-O 3.31Å; T581-P618 WeakPolarHBondContact CG2-O 3.14Å; T581-P618 WeakPolarHBondContact OG1-CD 3.45Å; T581-P618 WeakPolarHBondContact OG1-CG 3.03Å; T581-P618 PolarHBondContact OG1-O 3.25Å
582	W	92	Very high	90.4	Very high	14 Å²	14	42.2 Å²	42.2	5%	0.053	22%	0.221	C	C	.	.	H	α-helix	trans	-57.6	-50.5	175.6	173.6	79.1	0	0	0	111.4	P261 H264 M265 F266 W578 M579 V580 D584 M585 Q586 F598	P261-W582 HydrophobicContact CG-CH2 4.14Å; P261-W582 HydrophobicContact CG-CZ2 3.62Å; H264-W582 PolarHBondContact O-NE1 3.18Å; M265-W582 PolarHBondContact O-NE1 3.06Å; M265-W582 VanDerWaalsContact O-NE1 3.09Å; M265-W582 HydrophobicContact SD-CD2 4.28Å; M265-W582 HydrophobicContact SD-CH2 4.48Å; M265-W582 HydrophobicContact SD-CZ2 3.81Å; F266-W582 HydrophobicContact CD1-CB 4.38Å; F266-W582 HydrophobicContact CE1-CB 3.99Å; F266-W582 HydrophobicContact CE1-CG 4.42Å; W578-W582 VanDerWaalsContact O-CB 3.24Å; W578-W582 WeakPolarHBondContact O-CB 3.38Å; W578-W582 PolarHBondContact O-N 3.08Å; M579-W582 HydrophobicContact CE-CE3 4.14Å; M579-W582 HydrophobicContact CE-CZ3 4.49Å; M579-W582 PolarHBondContact O-N 3.24Å; V580-W582 VanDerWaalsContact C-N 3.34Å; W582-D584 PolarHBondContact O-N 3.34Å; W582-M585 PolarHBondContact O-N 3.01Å; W582-Q586 HydrophobicContact CD2-CG 4.09Å; W582-Q586 HydrophobicContact CG-CG 4.32Å; W582-Q586 HydrophobicContact CZ2-CG 3.83Å; W582-Q586 WeakPolarHBondContact O-CG 3.36Å; W582-Q586 PolarHBondContact O-N 2.99Å; W582-F598 HydrophobicContact CH2-CZ 4.33Å
583	Y	91.7	Very high	90.1	Very high	3 Å²	3	44.4 Å²	44.4	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-57.1	-48	179.9	-173	-73.3	0	0	0	111.4	Y230 Q231 V250 M579 V580 Q586 C587 F598 P603	Y230-Y583 AromaticContact CD1-CD1 3.7Å; Y230-Y583 HydrophobicContact CD1-CD1 3.7Å; Y230-Y583 HydrophobicContact CD1-CD2 4.25Å; Y230-Y583 AromaticContact CD1-CE1 3.91Å; Y230-Y583 HydrophobicContact CD1-CE1 3.91Å; Y230-Y583 HydrophobicContact CD1-CE2 4.4Å; Y230-Y583 AromaticContact CD1-CG 3.9Å; Y230-Y583 HydrophobicContact CD1-CG 3.9Å; Y230-Y583 HydrophobicContact CE1-CD1 4.12Å; Y230-Y583 HydrophobicContact CE1-CG 4.41Å; Q231-Y583 PolarHBondContact N-OH 2.97Å; Q231-Y583 VanDerWaalsContact O-CE2 3.26Å; Q231-Y583 WeakPolarHBondContact O-CE2 3.23Å; Q231-Y583 PolarHBondContact O-OH 3.29Å; V250-Y583 HydrophobicContact CG1-CD2 4.28Å; V250-Y583 HydrophobicContact CG1-CG 4.33Å; M579-Y583 WeakPolarHBondContact O-CB 3.41Å; M579-Y583 PolarHBondContact O-N 2.8Å; V580-Y583 PolarHBondContact O-N 3.19Å; Y583-Q586 PolarHBondContact O-N 3.22Å; Y583-C587 HydrophobicContact CD1-CB 4.38Å; Y583-C587 HydrophobicContact CE1-CB 4.24Å; Y583-C587 WeakPolarHBondContact O-CB 3.47Å; Y583-C587 PolarHBondContact O-N 3.45Å; Y583-F598 HydrophobicContact CD1-CE1 4.19Å; Y583-F598 AromaticContact CD2-CE1 3.85Å; Y583-F598 HydrophobicContact CD2-CE1 3.85Å; Y583-F598 HydrophobicContact CE1-CD1 4.1Å; Y583-F598 HydrophobicContact CE1-CE1 4.01Å; Y583-F598 HydrophobicContact CE2-CD1 4.23Å; Y583-F598 AromaticContact CE2-CE1 3.68Å; Y583-F598 HydrophobicContact CE2-CE1 3.68Å; Y583-F598 HydrophobicContact CG-CE1 4.11Å; Y583-F598 AromaticContact CZ-CD1 3.88Å; Y583-F598 AromaticContact CZ-CE1 3.76Å; Y583-P603 HydrophobicContact CE1-CG 4.1Å
584	D	89.4	Confident	89.7	Confident	11 Å²	11	43.5 Å²	43.5	6%	0.059	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-46.1	178.4	179.8	82	0	0	0	111.6	V580 T581 W582 Q586 C587 R588 I605	V580-D584 PolarHBondContact O-N 3.43Å; T581-D584 PolarHBondContact O-N 2.85Å; W582-D584 PolarHBondContact O-N 3.34Å; D584-Q586 PolarHBondContact O-N 2.87Å; D584-C587 PolarHBondContact O-N 3.18Å; D584-R588 VanDerWaalsContact CG-NE 3.27Å; D584-R588 WeakPolarHBondContact O-CB 3.48Å; D584-R588 WeakPolarHBondContact O-CG 3.41Å; D584-R588 PolarHBondContact O-N 3.24Å; D584-R588 IonicContact OD1-CZ 3.32Å; D584-R588 IonicContact OD1-NE 2.77Å; D584-R588 PolarHBondContact OD1-NE 3.41Å; D584-R588 IonicContact OD1-NH2 2.98Å; D584-R588 PolarHBondContact OD1-NH2 2.96Å; D584-R588 IonicContact OD2-CZ 3.92Å; D584-R588 IonicContact OD2-NE 3.11Å; D584-R588 PolarHBondContact OD2-NE 2.82Å; D584-R588 VanDerWaalsContact OD2-NE 3.11Å; D584-I605 HydrophobicContact CB-CD1 4.04Å; D584-I605 HydrophobicContact CB-CG1 3.93Å
585	M	88.5	Confident	89.3	Confident	101 Å²	101	41.8 Å²	41.8	50%	0.498	22%	0.222	S	C	.	.	H	α-helix	trans	-61.4	-44.1	179	-73.6	-179.4	67.5	0	0	112.4	T581 W582 N589	T581-M585 HydrophobicContact CG2-CG 4.26Å; T581-M585 HydrophobicContact CG2-SD 3.72Å; T581-M585 WeakPolarHBondContact O-CB 3.31Å; T581-M585 VanDerWaalsContact O-CG 3.24Å; T581-M585 WeakPolarHBondContact O-CG 3.48Å; T581-M585 PolarHBondContact O-N 3.3Å; W582-M585 PolarHBondContact O-N 3.01Å; M585-N589 WeakPolarHBondContact O-CB 3.16Å; M585-N589 PolarHBondContact O-N 3.4Å; M585-N589 VanDerWaalsContact O-N 3.17Å
586	Q	90.4	Very high	89	Confident	20 Å²	20	41.6 Å²	41.6	9%	0.093	22%	0.221	C	C	.	.	H	α-helix	trans	-73.4	-36.6	179.1	-58.5	-45.9	-26.6	0	0	112.7	H264 W582 Y583 D584 R588 N589 T592 K593 F598	H264-Q586 PolarHBondContact O-NE2 3.3Å; W582-Q586 HydrophobicContact CD2-CG 4.09Å; W582-Q586 HydrophobicContact CG-CG 4.32Å; W582-Q586 HydrophobicContact CZ2-CG 3.83Å; W582-Q586 WeakPolarHBondContact O-CG 3.36Å; W582-Q586 PolarHBondContact O-N 2.99Å; Y583-Q586 PolarHBondContact O-N 3.22Å; D584-Q586 PolarHBondContact O-N 2.87Å; Q586-R588 VanDerWaalsContact C-N 3.3Å; Q586-R588 PolarHBondContact O-N 3.33Å; Q586-N589 PolarHBondContact O-N 3.12Å; Q586-T592 WeakPolarHBondContact CA-OG1 3.16Å; Q586-T592 PolarHBondContact O-OG1 2.9Å; Q586-T592 VanDerWaalsContact O-OG1 3.04Å; Q586-T592 VanDerWaalsContact OE1-CB 3.3Å; Q586-T592 VanDerWaalsContact OE1-CG2 3.27Å; Q586-T592 PolarHBondContact OE1-OG1 3.39Å; Q586-K593 PolarHBondContact O-N 2.7Å; Q586-F598 HydrophobicContact CB-CE2 3.73Å; Q586-F598 HydrophobicContact CB-CZ 3.71Å
587	C	91.7	Very high	88.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-33.7	177	-176.1	0	0	0	0	112.5	Y583 D584 K593 F598 C602	Y583-C587 HydrophobicContact CD1-CB 4.38Å; Y583-C587 HydrophobicContact CE1-CB 4.24Å; Y583-C587 WeakPolarHBondContact O-CB 3.47Å; Y583-C587 PolarHBondContact O-N 3.45Å; D584-C587 PolarHBondContact O-N 3.18Å; C587-K593 VanDerWaalsContact O-CD 3.3Å; C587-K593 WeakPolarHBondContact O-CD 3.34Å; C587-F598 HydrophobicContact CB-CB 4.33Å; C587-F598 HydrophobicContact CB-CD1 3.59Å; C587-F598 HydrophobicContact CB-CE1 4.05Å; C587-F598 HydrophobicContact CB-CG 4.04Å; C587-C602 HydrophobicContact CB-CB 3.87Å; C587-C602 WeakPolarHBondContact CB-SG 3.47Å; C587-C602 PolarHBondContact O-SG 2.92Å; C587-C602 WeakPolarHBondContact SG-CA 2.83Å; C587-C602 WeakPolarHBondContact SG-CB 3.45Å; C587-C602 CovalentContact SG-SG 2.03Å; C587-C602 PolarHBondContact SG-SG 3.45Å
588	R	89.9	Confident	88.8	Confident	147 Å²	147	37.8 Å²	37.8	56%	0.555	21%	0.205	S	C	*	.	H	α-helix	trans	-84.1	-24.3	179.7	-70.1	179.5	-169.2	-114.3	-0.4	114.1	D584 Q586 P590 C602	D584-R588 VanDerWaalsContact CG-NE 3.27Å; D584-R588 WeakPolarHBondContact O-CB 3.48Å; D584-R588 WeakPolarHBondContact O-CG 3.41Å; D584-R588 PolarHBondContact O-N 3.24Å; D584-R588 IonicContact OD1-CZ 3.32Å; D584-R588 IonicContact OD1-NE 2.77Å; D584-R588 PolarHBondContact OD1-NE 3.41Å; D584-R588 IonicContact OD1-NH2 2.98Å; D584-R588 PolarHBondContact OD1-NH2 2.96Å; D584-R588 IonicContact OD2-CZ 3.92Å; D584-R588 IonicContact OD2-NE 3.11Å; D584-R588 PolarHBondContact OD2-NE 2.82Å; D584-R588 VanDerWaalsContact OD2-NE 3.11Å; Q586-R588 VanDerWaalsContact C-N 3.3Å; Q586-R588 PolarHBondContact O-N 3.33Å; R588-P590 WeakPolarHBondContact O-CD 3.37Å; R588-C602 HydrophobicContact CG-CB 4.47Å
589	N	87.9	Confident	88.6	Confident	67 Å²	67	38.5 Å²	38.5	36%	0.358	21%	0.212	S	C	.	.	S	Bend	trans	-75.7	118.8	178.6	177.9	-22.7	0	0	0	109.9	M585 Q586 S591 T592 K593	M585-N589 WeakPolarHBondContact O-CB 3.16Å; M585-N589 PolarHBondContact O-N 3.4Å; M585-N589 VanDerWaalsContact O-N 3.17Å; Q586-N589 PolarHBondContact O-N 3.12Å; N589-S591 VanDerWaalsContact C-N 3.25Å; N589-S591 PolarHBondContact O-N 3.27Å; N589-S591 PolarHBondContact OD1-N 2.76Å; N589-T592 WeakPolarHBondContact CB-OG1 3.49Å; N589-T592 PolarHBondContact O-N 2.94Å; N589-K593 WeakPolarHBondContact O-CB 3.33Å; N589-K593 PolarHBondContact O-N 2.96Å
590	P	89.5	Confident	88.2	Confident	100 Å²	100	43.1 Å²	43.1	65%	0.649	25%	0.25	S	C	*	.	H	α-helix	trans	-56.6	-36.6	-175.8	-26	34.9	0	0	0	114.2	R588 S594	R588-P590 WeakPolarHBondContact O-CD 3.37Å; P590-S594 WeakPolarHBondContact O-CB 3.24Å; P590-S594 PolarHBondContact O-N 2.7Å; P590-S594 VanDerWaalsContact O-N 3.15Å; P590-S594 PolarHBondContact O-OG 3.31Å
591	S	86.1	Confident	88.1	Confident	85 Å²	85	47 Å²	47	59%	0.594	28%	0.277	S	S	*	.	H	α-helix	trans	-68.9	-47.3	-178.3	-54.3	0	0	0	0	111.5	N589 S594 L595	N589-S591 VanDerWaalsContact C-N 3.25Å; N589-S591 PolarHBondContact O-N 3.27Å; N589-S591 PolarHBondContact OD1-N 2.76Å; S591-S594 PolarHBondContact O-OG 3.5Å; S591-L595 WeakPolarHBondContact O-CB 3.06Å; S591-L595 PolarHBondContact O-N 3.34Å
592	T	87.7	Confident	88.1	Confident	4 Å²	4	48.2 Å²	48.2	3%	0.025	29%	0.285	C	S	.	.	H	α-helix	trans	-80.7	-28.5	-179.3	52.4	0	0	0	0	112.5	H264 Q586 N589 L595 F596	H264-T592 HydrophobicContact CB-CG2 4.17Å; Q586-T592 WeakPolarHBondContact CA-OG1 3.16Å; Q586-T592 PolarHBondContact O-OG1 2.9Å; Q586-T592 VanDerWaalsContact O-OG1 3.04Å; Q586-T592 VanDerWaalsContact OE1-CB 3.3Å; Q586-T592 VanDerWaalsContact OE1-CG2 3.27Å; Q586-T592 PolarHBondContact OE1-OG1 3.39Å; N589-T592 WeakPolarHBondContact CB-OG1 3.49Å; N589-T592 PolarHBondContact O-N 2.94Å; T592-L595 PolarHBondContact O-N 3.14Å; T592-F596 HydrophobicContact CG2-CD2 4.48Å; T592-F596 HydrophobicContact CG2-CE2 3.97Å; T592-F596 WeakPolarHBondContact O-CB 3.19Å; T592-F596 VanDerWaalsContact O-CD2 3.22Å; T592-F596 WeakPolarHBondContact O-CD2 2.99Å; T592-F596 PolarHBondContact O-N 3.17Å
593	K	88.6	Confident	87.8	Confident	57 Å²	57	47.8 Å²	47.8	25%	0.248	28%	0.284	C	S	.	.	H	α-helix	trans	-56.4	-50.5	170.2	-172.7	-179.9	-165	147.1	0	111.8	Q586 C587 N589 G597 F598 P599 A600	Q586-K593 PolarHBondContact O-N 2.7Å; C587-K593 VanDerWaalsContact O-CD 3.3Å; C587-K593 WeakPolarHBondContact O-CD 3.34Å; N589-K593 WeakPolarHBondContact O-CB 3.33Å; N589-K593 PolarHBondContact O-N 2.96Å; K593-G597 WeakPolarHBondContact O-CA 3.06Å; K593-G597 PolarHBondContact O-N 2.72Å; K593-F598 HydrophobicContact CG-CB 3.93Å; K593-F598 PolarHBondContact O-N 2.78Å; K593-F598 VanDerWaalsContact O-N 3.07Å; K593-P599 WeakPolarHBondContact CE-O 3.47Å; K593-P599 PolarHBondContact NZ-O 3.37Å; K593-A600 PolarHBondContact NZ-O 2.94Å
594	S	83.4	Confident	87.3	Confident	76 Å²	76	58 Å²	58	53%	0.531	32%	0.323	S	S	.	.	H	α-helix	trans	-71.3	-39.6	177.4	56.5	0	0	0	0	112.2	R235 P590 S591	R235-S594 PolarHBondContact NH1-O 3.29Å; P590-S594 WeakPolarHBondContact O-CB 3.24Å; P590-S594 PolarHBondContact O-N 2.7Å; P590-S594 VanDerWaalsContact O-N 3.15Å; P590-S594 PolarHBondContact O-OG 3.31Å; S591-S594 PolarHBondContact O-OG 3.5Å
595	L	84.3	Confident	86.8	Confident	54 Å²	54	59.2 Å²	59.2	28%	0.283	33%	0.329	S	S	.	.	H	α-helix	trans	-61.8	-46.4	179	-179.1	62.6	0	0	0	112.9	R235 I401 S591 T592	R235-L595 WeakPolarHBondContact CD-O 3.4Å; R235-L595 PolarHBondContact NH1-O 2.91Å; I401-L595 HydrophobicContact CG2-CD1 3.87Å; S591-L595 WeakPolarHBondContact O-CB 3.06Å; S591-L595 PolarHBondContact O-N 3.34Å; T592-L595 PolarHBondContact O-N 3.14Å
596	F	86.3	Confident	86.1	Confident	3 Å²	3	59.1 Å²	59.1	1%	0.013	34%	0.336	C	S	.	.	H	α-helix	trans	-94.8	-13.7	-176.2	-59.3	-56.8	0	0	0	113.6	P233 R234 R235 L236 P261 H264 I403 T592 F598	P233-F596 CarbonylContact C-O 3.34Å; P233-F596 HydrophobicContact CB-CB 4.06Å; P233-F596 WeakPolarHBondContact CB-O 2.92Å; R234-F596 PolarHBondContact N-O 2.76Å; R235-F596 WeakPolarHBondContact CB-O 3.42Å; R235-F596 PolarHBondContact N-O 2.75Å; L236-F596 HydrophobicContact CD1-CB 4.09Å; L236-F596 HydrophobicContact CD1-CD1 4.01Å; L236-F596 HydrophobicContact CD1-CG 4.1Å; L236-F596 HydrophobicContact CD2-CD1 3.93Å; L236-F596 HydrophobicContact CD2-CE1 4.41Å; L236-F596 HydrophobicContact CG-CB 4.27Å; L236-F596 HydrophobicContact CG-CD1 4.05Å; L236-F596 HydrophobicContact CG-CG 4.45Å; P261-F596 HydrophobicContact CB-CD1 4.39Å; P261-F596 HydrophobicContact CB-CE1 3.46Å; P261-F596 VanDerWaalsContact CB-CE1 3.46Å; P261-F596 HydrophobicContact CB-CZ 3.54Å; P261-F596 HydrophobicContact CG-CE1 3.95Å; P261-F596 HydrophobicContact CG-CE2 4.28Å; P261-F596 HydrophobicContact CG-CZ 3.72Å; H264-F596 HydrophobicContact CB-CE2 4.46Å; I403-F596 HydrophobicContact CD1-CD1 4.21Å; I403-F596 HydrophobicContact CG2-CD1 4.26Å; I403-F596 HydrophobicContact CG2-CE1 3.84Å; T592-F596 HydrophobicContact CG2-CD2 4.48Å; T592-F596 HydrophobicContact CG2-CE2 3.97Å; T592-F596 WeakPolarHBondContact O-CB 3.19Å; T592-F596 VanDerWaalsContact O-CD2 3.22Å; T592-F596 WeakPolarHBondContact O-CD2 2.99Å; T592-F596 PolarHBondContact O-N 3.17Å; F596-F598 HydrophobicContact CB-CD2 3.83Å; F596-F598 HydrophobicContact CB-CE2 3.73Å; F596-F598 HydrophobicContact CD2-CD2 4.47Å; F596-F598 AromaticContact CD2-CE2 3.82Å; F596-F598 HydrophobicContact CD2-CE2 3.82Å; F596-F598 HydrophobicContact CG-CE2 4.19Å
597	G	85.2	Confident	85.1	Confident	18 Å²	18	61.6 Å²	61.6	19%	0.186	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	45.9	-179	0	0	0	0	0	113.3	R234 K593	R234-G597 PolarHBondContact N-O 3.03Å; K593-G597 WeakPolarHBondContact O-CA 3.06Å; K593-G597 PolarHBondContact O-N 2.72Å
598	F	88.8	Confident	83.3	Confident	13 Å²	13	66.3 Å²	66.3	6%	0.057	38%	0.377	C	S	.	.			trans	-66.6	154	174.6	-83.2	-91.7	0	0	0	111.8	P233 W582 Y583 Q586 C587 K593 F596	P233-F598 HydrophobicContact CB-CD1 4.43Å; P233-F598 HydrophobicContact CB-CD2 4.16Å; P233-F598 HydrophobicContact CB-CE2 4.34Å; P233-F598 HydrophobicContact CB-CG 4.2Å; P233-F598 HydrophobicContact CG-CD1 3.62Å; P233-F598 HydrophobicContact CG-CD2 3.91Å; P233-F598 HydrophobicContact CG-CE1 3.46Å; P233-F598 VanDerWaalsContact CG-CE1 3.46Å; P233-F598 HydrophobicContact CG-CE2 3.76Å; P233-F598 HydrophobicContact CG-CG 3.84Å; P233-F598 HydrophobicContact CG-CZ 3.53Å; W582-F598 HydrophobicContact CH2-CZ 4.33Å; Y583-F598 HydrophobicContact CD1-CE1 4.19Å; Y583-F598 AromaticContact CD2-CE1 3.85Å; Y583-F598 HydrophobicContact CD2-CE1 3.85Å; Y583-F598 HydrophobicContact CE1-CD1 4.1Å; Y583-F598 HydrophobicContact CE1-CE1 4.01Å; Y583-F598 HydrophobicContact CE2-CD1 4.23Å; Y583-F598 AromaticContact CE2-CE1 3.68Å; Y583-F598 HydrophobicContact CE2-CE1 3.68Å; Y583-F598 HydrophobicContact CG-CE1 4.11Å; Y583-F598 AromaticContact CZ-CD1 3.88Å; Y583-F598 AromaticContact CZ-CE1 3.76Å; Q586-F598 HydrophobicContact CB-CE2 3.73Å; Q586-F598 HydrophobicContact CB-CZ 3.71Å; C587-F598 HydrophobicContact CB-CB 4.33Å; C587-F598 HydrophobicContact CB-CD1 3.59Å; C587-F598 HydrophobicContact CB-CE1 4.05Å; C587-F598 HydrophobicContact CB-CG 4.04Å; K593-F598 HydrophobicContact CG-CB 3.93Å; K593-F598 PolarHBondContact O-N 2.78Å; K593-F598 VanDerWaalsContact O-N 3.07Å; F596-F598 HydrophobicContact CB-CD2 3.83Å; F596-F598 HydrophobicContact CB-CE2 3.73Å; F596-F598 HydrophobicContact CD2-CD2 4.47Å; F596-F598 AromaticContact CD2-CE2 3.82Å; F596-F598 HydrophobicContact CD2-CE2 3.82Å; F596-F598 HydrophobicContact CG-CE2 4.19Å
599	P	86.7	Confident	81.5	Confident	31 Å²	31	65.1 Å²	65.1	20%	0.201	38%	0.38	C	S	.	.			trans	-59.9	155.6	178.5	23.9	-33.6	0	0	0	113	K593 S601	K593-P599 WeakPolarHBondContact CE-O 3.47Å; K593-P599 PolarHBondContact NZ-O 3.37Å; P599-S601 WeakPolarHBondContact CG-O 3.46Å; P599-S601 PolarHBondContact O-N 3.16Å
600	A	84.6	Confident	79.3	Confident	97 Å²	97	65.8 Å²	65.8	80%	0.802	40%	0.404	S	S	*	.	S	Bend	trans	-57.1	-39.3	-179.7	0	0	0	0	0	112	K593	K593-A600 PolarHBondContact NZ-O 2.94Å
601	S	88.2	Confident	77.3	Confident	83 Å²	83	64.3 Å²	64.3	58%	0.58	41%	0.407	S	S	*	.	S	Bend	trans	-103.5	138	173.1	51.2	0	0	0	0	111.5	P599	P599-S601 WeakPolarHBondContact CG-O 3.46Å; P599-S601 PolarHBondContact O-N 3.16Å
602	C	88.2	Confident	75.4	Confident	28 Å²	28	61.7 Å²	61.7	19%	0.189	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-97.9	137.4	175.3	-55.7	0	0	0	0	110.2	C587 R588	C587-C602 HydrophobicContact CB-CB 3.87Å; C587-C602 WeakPolarHBondContact CB-SG 3.47Å; C587-C602 PolarHBondContact O-SG 2.92Å; C587-C602 WeakPolarHBondContact SG-CA 2.83Å; C587-C602 WeakPolarHBondContact SG-CB 3.45Å; C587-C602 CovalentContact SG-SG 2.03Å; C587-C602 PolarHBondContact SG-SG 3.45Å; R588-C602 HydrophobicContact CG-CB 4.47Å
603	P	86	Confident	73.4	Confident	6 Å²	6	68.9 Å²	68.9	4%	0.039	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-51.5	148.5	168.9	-28.9	38.2	0	0	0	112.5	A228 Y230 Y583	A228-P603 HydrophobicContact CB-CG 4.45Å; A228-P603 VanDerWaalsContact O-CB 3.3Å; A228-P603 WeakPolarHBondContact O-CB 3.46Å; Y230-P603 HydrophobicContact CD1-CB 4.06Å; Y230-P603 HydrophobicContact CD1-CG 3.82Å; Y230-P603 HydrophobicContact CE1-CB 3.81Å; Y230-P603 HydrophobicContact CE1-CG 4.1Å; Y230-P603 HydrophobicContact CG-CG 4.34Å; Y583-P603 HydrophobicContact CE1-CG 4.1Å
604	R	80.8	Confident	71.7	Confident	218 Å²	218	73.9 Å²	73.9	82%	0.823	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-83	140.2	169.9	-68.3	-171.4	-176.2	156.4	1.8	109.4
605	I	80.1	Confident	70.6	Confident	35 Å²	35	72.4 Å²	72.4	18%	0.179	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-62.5	132.6	174.7	-56.6	175.2	0	0	0	109	V580 D584 W607 L617	V580-I605 HydrophobicContact CG1-CG2 4.24Å; D584-I605 HydrophobicContact CB-CD1 4.04Å; D584-I605 HydrophobicContact CB-CG1 3.93Å; I605-W607 VanDerWaalsContact C-N 3.27Å; I605-W607 HydrophobicContact CG2-CD2 3.35Å; I605-W607 HydrophobicContact CG2-CE3 3.81Å; I605-W607 HydrophobicContact CG2-CG 3.86Å; I605-W607 HydrophobicContact CG2-CH2 3.86Å; I605-W607 HydrophobicContact CG2-CZ2 3.39Å; I605-W607 HydrophobicContact CG2-CZ3 4.04Å; I605-W607 PolarHBondContact O-N 2.85Å; I605-L617 HydrophobicContact CD1-CD2 3.45Å; I605-L617 VanDerWaalsContact CD1-CD2 3.45Å; I605-L617 HydrophobicContact CD1-CG 4.2Å
606	P	72.4	Confident	69.8	Low	99 Å²	99	75.9 Å²	75.9	64%	0.643	47%	0.469	S	S	*	.	S	Bend	trans	-74.9	-11.5	-172.3	24.8	-30.1	0	0	0	114.4
607	W	70.4	Confident	69.4	Low	73 Å²	73	78.3 Å²	78.3	28%	0.277	48%	0.482	S	S	.	.	S	Bend	trans	-102.4	133.4	172	55.7	87.1	0	0	0	110.9	Q577 V580 T581 I605 I609 P618	Q577-W607 HydrophobicContact CB-CH2 4.17Å; Q577-W607 HydrophobicContact CG-CH2 4.46Å; Q577-W607 HydrophobicContact CG-CZ3 4.5Å; V580-W607 HydrophobicContact CB-CH2 3.64Å; V580-W607 HydrophobicContact CB-CZ3 4.08Å; V580-W607 HydrophobicContact CG1-CH2 3.43Å; V580-W607 VanDerWaalsContact CG1-CH2 3.43Å; V580-W607 HydrophobicContact CG1-CZ2 4.25Å; V580-W607 HydrophobicContact CG1-CZ3 3.75Å; T581-W607 WeakPolarHBondContact OG1-CZ2 3.48Å; I605-W607 VanDerWaalsContact C-N 3.27Å; I605-W607 HydrophobicContact CG2-CD2 3.35Å; I605-W607 HydrophobicContact CG2-CE3 3.81Å; I605-W607 HydrophobicContact CG2-CG 3.86Å; I605-W607 HydrophobicContact CG2-CH2 3.86Å; I605-W607 HydrophobicContact CG2-CZ2 3.39Å; I605-W607 HydrophobicContact CG2-CZ3 4.04Å; I605-W607 PolarHBondContact O-N 2.85Å; W607-I609 PolarHBondContact O-N 3.09Å; W607-P618 HydrophobicContact CH2-CG 4.45Å; W607-P618 HydrophobicContact CZ2-CG 3.57Å
608	S	53.9	Low	69.3	Low	99 Å²	99	79 Å²	79	69%	0.692	48%	0.483	S	S	*	.			trans	-58.8	135.8	170.8	-52.9	0	0	0	0	109.6	G610 G611	S608-G610 PolarHBondContact O-N 3.49Å; S608-G611 PolarHBondContact O-N 2.94Å
609	I	51.7	Low	69.2	Low	121 Å²	121	83 Å²	83	62%	0.621	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-50.9	-21.5	173	-63.2	176.6	0	0	0	111.4	W607 G611 A612	W607-I609 PolarHBondContact O-N 3.09Å; I609-G611 PolarHBondContact O-N 3.35Å; I609-G611 VanDerWaalsContact O-N 3.1Å; I609-A612 PolarHBondContact O-N 2.93Å; I609-A612 VanDerWaalsContact O-N 3.17Å
610	G	43.1	Very low	69.5	Low	82 Å²	82	81.8 Å²	81.8	85%	0.845	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-66	3.1	173.1	0	0	0	0	0	117.6	S608	S608-G610 PolarHBondContact O-N 3.49Å
611	G	45.9	Very low	69.8	Low	69 Å²	69	83.1 Å²	83.1	71%	0.711	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-106.8	-6.4	169.1	0	0	0	0	0	114.8	S608 I609 N613	S608-G611 PolarHBondContact O-N 2.94Å; I609-G611 PolarHBondContact O-N 3.35Å; I609-G611 VanDerWaalsContact O-N 3.1Å; G611-N613 PolarHBondContact O-N 2.86Å
612	A	47.1	Very low	70	Confident	30 Å²	30	81.2 Å²	81.2	25%	0.248	46%	0.464	C	S	.	.	S	Bend	trans	-83	109.2	175.8	0	0	0	0	0	108.9	I609 N614 G615 Q616	I609-A612 PolarHBondContact O-N 2.93Å; I609-A612 VanDerWaalsContact O-N 3.17Å; A612-N614 PolarHBondContact O-N 3.41Å; A612-G615 PolarHBondContact O-N 3.14Å; A612-G615 VanDerWaalsContact O-N 3.09Å; A612-Q616 WeakPolarHBondContact CB-O 3.47Å
613	N	45.1	Very low	70.2	Confident	155 Å²	155	84.6 Å²	84.6	83%	0.829	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-51.2	111.7	161.6	-73.5	-21.2	0	0	0	107.2	G611	G611-N613 PolarHBondContact O-N 2.86Å
614	N	53.4	Low	70.6	Confident	162 Å²	162	85.4 Å²	85.4	87%	0.866	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	79.5	15.3	-179.9	-50.4	-23.2	0	0	0	118.5	A612 Q616	A612-N614 PolarHBondContact O-N 3.41Å; N614-Q616 PolarHBondContact O-N 3.47Å; N614-Q616 VanDerWaalsContact O-N 3.15Å
615	G	59.3	Low	71.2	Confident	45 Å²	45	75.9 Å²	75.9	46%	0.464	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	69.1	11.4	174.3	0	0	0	0	0	115	A612	A612-G615 PolarHBondContact O-N 3.14Å; A612-G615 VanDerWaalsContact O-N 3.09Å
616	Q	67.7	Low	71.9	Confident	127 Å²	127	75.7 Å²	75.7	59%	0.593	45%	0.454	S	S	*	.			trans	-92.1	125.5	178.5	-166.2	152.9	22.5	0	0	110.5	A612 N614	A612-Q616 WeakPolarHBondContact CB-O 3.47Å; N614-Q616 PolarHBondContact O-N 3.47Å; N614-Q616 VanDerWaalsContact O-N 3.15Å
617	L	78.1	Confident	73	Confident	53 Å²	53	74.2 Å²	74.2	28%	0.277	44%	0.44	S	S	.	.			trans	-63.1	143.3	176.4	-86.6	69.1	0	0	0	110.5	T581 I605 K619	T581-L617 HydrophobicContact CG2-CB 3.7Å; T581-L617 HydrophobicContact CG2-CD2 3.93Å; T581-L617 HydrophobicContact CG2-CG 4.4Å; I605-L617 HydrophobicContact CD1-CD2 3.45Å; I605-L617 VanDerWaalsContact CD1-CD2 3.45Å; I605-L617 HydrophobicContact CD1-CG 4.2Å; L617-K619 PolarHBondContact O-N 2.02Å; L617-K619 VanDerWaalsContact O-N 3.14Å
618	P	84.4	Confident	74.3	Confident	32 Å²	32	71.5 Å²	71.5	21%	0.208	43%	0.43	C	S	.	.			trans	-65.1	115.7	-177.8	26.5	-33.2	0	0	0	110.7	Q577 T581 W607	Q577-P618 HydrophobicContact CB-CB 4.3Å; Q577-P618 HydrophobicContact CB-CG 4.1Å; T581-P618 WeakPolarHBondContact CB-O 3.31Å; T581-P618 WeakPolarHBondContact CG2-O 3.14Å; T581-P618 WeakPolarHBondContact OG1-CD 3.45Å; T581-P618 WeakPolarHBondContact OG1-CG 3.03Å; T581-P618 PolarHBondContact OG1-O 3.25Å; W607-P618 HydrophobicContact CH2-CG 4.45Å; W607-P618 HydrophobicContact CZ2-CG 3.57Å
619	K	87.1	Confident	76.3	Confident	99 Å²	99	67 Å²	67	43%	0.43	40%	0.398	S	S	.	.			trans	-126.5	158.1	174	65.2	173	-175.2	165.7	0	109.9	W578 L617 E621	W578-K619 VanDerWaalsContact CD1-C 3.47Å; W578-K619 VanDerWaalsContact NE1-C 3.29Å; W578-K619 PolarHBondContact NE1-O 2.75Å; L617-K619 PolarHBondContact O-N 2.02Å; L617-K619 VanDerWaalsContact O-N 3.14Å; K619-E621 PolarHBondContact O-N 3.12Å
620	P	91.5	Very high	78.5	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.032	38%	0.375	C	S	.	.			trans	-64.7	134.3	174	24.3	-32.3	0	0	0	111.2	F266 F267 W578 F622 F625	F266-P620 HydrophobicContact CB-CG 3.48Å; F266-P620 VanDerWaalsContact CB-CG 3.48Å; F266-P620 HydrophobicContact CD1-CG 3.83Å; F266-P620 HydrophobicContact CD2-CG 3.97Å; F266-P620 HydrophobicContact CG-CG 3.51Å; F267-P620 HydrophobicContact CE1-CG 4.37Å; F267-P620 HydrophobicContact CE2-CG 4.29Å; F267-P620 HydrophobicContact CZ-CB 3.93Å; F267-P620 HydrophobicContact CZ-CG 3.84Å; W578-P620 HydrophobicContact CD2-CB 3.92Å; W578-P620 HydrophobicContact CD2-CG 4.37Å; W578-P620 HydrophobicContact CE3-CB 3.94Å; W578-P620 HydrophobicContact CE3-CG 4.49Å; W578-P620 HydrophobicContact CH2-CB 3.99Å; W578-P620 HydrophobicContact CZ2-CB 3.98Å; W578-P620 HydrophobicContact CZ3-CB 3.97Å; P620-F622 PolarHBondContact O-N 2.04Å; P620-F625 HydrophobicContact CB-CD2 4.4Å; P620-F625 HydrophobicContact CB-CE2 3.6Å; P620-F625 HydrophobicContact CB-CZ 4.36Å
621	E	91.2	Very high	81	Confident	125 Å²	125	59.9 Å²	59.9	58%	0.584	34%	0.341	S	S	*	.			trans	-72.9	114.8	175.8	-69.7	-61.8	149.8	0	0	109.8	K619 V623 A624	K619-E621 PolarHBondContact O-N 3.12Å; E621-V623 PolarHBondContact O-N 3.15Å; E621-A624 HydrophobicContact CB-CB 4.13Å; E621-A624 WeakPolarHBondContact O-CB 3.1Å; E621-A624 PolarHBondContact O-N 3.4Å
622	F	92.3	Very high	83.4	Confident	42 Å²	42	57.3 Å²	57.3	18%	0.184	31%	0.312	C	S	.	.	H	α-helix	trans	-51.5	-43	-179.5	178	-110.3	0	0	0	112.8	F267 E271 I274 V275 P620 A624 F625 M626	F267-F622 HydrophobicContact CD1-CB 4.26Å; F267-F622 AromaticContact CD1-CD2 3.75Å; F267-F622 HydrophobicContact CD1-CD2 3.75Å; F267-F622 HydrophobicContact CD1-CG 4.48Å; F267-F622 HydrophobicContact CE1-CB 3.75Å; F267-F622 AromaticContact CE1-CD2 3.87Å; F267-F622 HydrophobicContact CE1-CD2 3.87Å; F267-F622 HydrophobicContact CE1-CG 4.33Å; F267-F622 HydrophobicContact CG-CD2 4.36Å; E271-F622 HydrophobicContact CB-CD2 4.09Å; E271-F622 HydrophobicContact CB-CE2 3.58Å; E271-F622 HydrophobicContact CB-CZ 4.16Å; E271-F622 HydrophobicContact CG-CD2 4.3Å; E271-F622 HydrophobicContact CG-CE2 4.05Å; E271-F622 HydrophobicContact CG-CZ 4.37Å; E271-F622 WeakPolarHBondContact O-CE2 3.41Å; I274-F622 HydrophobicContact CB-CZ 4.48Å; I274-F622 HydrophobicContact CG2-CZ 4.2Å; V275-F622 HydrophobicContact CG2-CD2 4.18Å; V275-F622 HydrophobicContact CG2-CE2 3.19Å; V275-F622 HydrophobicContact CG2-CZ 3.44Å; V275-F622 VanDerWaalsContact CG2-CZ 3.44Å; P620-F622 PolarHBondContact O-N 2.04Å; F622-A624 VanDerWaalsContact C-N 3.3Å; F622-A624 PolarHBondContact O-N 3.43Å; F622-F625 PolarHBondContact O-N 2.93Å; F622-M626 HydrophobicContact CD1-CG 4.45Å; F622-M626 HydrophobicContact CD1-SD 3.95Å; F622-M626 HydrophobicContact CE1-CG 4.09Å; F622-M626 HydrophobicContact CE1-SD 3.34Å; F622-M626 WeakPolarHBondContact CE1-SD 3.36Å; F622-M626 HydrophobicContact CZ-CG 4.22Å; F622-M626 HydrophobicContact CZ-SD 3.87Å; F622-M626 PolarHBondContact O-N 2.81Å
623	V	93.1	Very high	85.8	Confident	99 Å²	99	55.9 Å²	55.9	60%	0.6	30%	0.3	S	S	*	.	H	α-helix	trans	-64.5	-32.6	-179.2	-179.2	0	0	0	0	112.2	E621 F625 M626 L627	E621-V623 PolarHBondContact O-N 3.15Å; V623-F625 VanDerWaalsContact C-N 3.31Å; V623-F625 PolarHBondContact O-N 3.45Å; V623-M626 PolarHBondContact O-N 3.47Å; V623-L627 VanDerWaalsContact O-CB 3.28Å; V623-L627 WeakPolarHBondContact O-CB 3.04Å; V623-L627 PolarHBondContact O-N 3.38Å
624	A	93.5	Very high	88.2	Confident	24 Å²	24	50 Å²	50	20%	0.198	27%	0.27	C	S	.	.	H	α-helix	trans	-64.3	-38.5	178.6	0	0	0	0	0	111.4	E621 F622 L627 K628	E621-A624 HydrophobicContact CB-CB 4.13Å; E621-A624 WeakPolarHBondContact O-CB 3.1Å; E621-A624 PolarHBondContact O-N 3.4Å; F622-A624 VanDerWaalsContact C-N 3.3Å; F622-A624 PolarHBondContact O-N 3.43Å; A624-L627 PolarHBondContact O-N 2.98Å; A624-K628 WeakPolarHBondContact O-CB 3.4Å; A624-K628 PolarHBondContact O-N 3.22Å
625	F	93.9	Very high	90.1	Very high	17 Å²	17	42.3 Å²	42.3	8%	0.075	23%	0.229	C	C	.	.	H	α-helix	trans	-71.7	-41.2	176.1	-73.9	-92.9	0	0	0	112	F267 L486 W578 P620 F622 V623 L627 K628 Y629	F267-F625 HydrophobicContact CE2-CD2 4.27Å; F267-F625 AromaticContact CZ-CD2 3.93Å; F267-F625 HydrophobicContact CZ-CD2 3.93Å; F267-F625 HydrophobicContact CZ-CE2 4.3Å; L486-F625 HydrophobicContact CD1-CB 3.76Å; L486-F625 HydrophobicContact CD1-CD1 3.53Å; L486-F625 HydrophobicContact CD1-CE1 4.32Å; L486-F625 HydrophobicContact CD1-CG 3.74Å; W578-F625 HydrophobicContact CH2-CE2 4.34Å; W578-F625 HydrophobicContact CZ3-CE2 4.37Å; W578-F625 HydrophobicContact CZ3-CZ 4.17Å; P620-F625 HydrophobicContact CB-CD2 4.4Å; P620-F625 HydrophobicContact CB-CE2 3.6Å; P620-F625 HydrophobicContact CB-CZ 4.36Å; F622-F625 PolarHBondContact O-N 2.93Å; V623-F625 VanDerWaalsContact C-N 3.31Å; V623-F625 PolarHBondContact O-N 3.45Å; F625-L627 VanDerWaalsContact C-N 3.29Å; F625-L627 PolarHBondContact O-N 3.03Å; F625-K628 WeakPolarHBondContact O-CB 3.47Å; F625-K628 PolarHBondContact O-N 2.91Å; F625-Y629 HydrophobicContact CB-CE2 4.42Å; F625-Y629 WeakPolarHBondContact O-CD2 3.36Å; F625-Y629 PolarHBondContact O-N 3.14Å
626	M	95.6	Very high	91.8	Very high	32 Å²	32	40.2 Å²	40.2	16%	0.158	21%	0.207	C	C	.	.	H	α-helix	trans	-57.4	-44	172.3	-70.8	-171.3	74.8	0	0	112.2	V275 W278 F622 V623 L630	V275-M626 HydrophobicContact CG2-CG 3.97Å; W278-M626 HydrophobicContact CB-CE 4.2Å; W278-M626 HydrophobicContact CD2-CE 3.47Å; W278-M626 VanDerWaalsContact CD2-CE 3.47Å; W278-M626 HydrophobicContact CE3-CE 3.73Å; W278-M626 HydrophobicContact CG-CE 3.7Å; W278-M626 HydrophobicContact CZ2-CE 4.36Å; W278-M626 HydrophobicContact CZ3-CE 4.28Å; W278-M626 PolarHBondContact NE1-O 3.42Å; F622-M626 HydrophobicContact CD1-CG 4.45Å; F622-M626 HydrophobicContact CD1-SD 3.95Å; F622-M626 HydrophobicContact CE1-CG 4.09Å; F622-M626 HydrophobicContact CE1-SD 3.34Å; F622-M626 WeakPolarHBondContact CE1-SD 3.36Å; F622-M626 HydrophobicContact CZ-CG 4.22Å; F622-M626 HydrophobicContact CZ-SD 3.87Å; F622-M626 PolarHBondContact O-N 2.81Å; V623-M626 PolarHBondContact O-N 3.47Å; M626-L630 WeakPolarHBondContact O-CB 3.26Å; M626-L630 PolarHBondContact O-N 3.48Å; M626-L630 VanDerWaalsContact O-N 3.09Å
627	L	95.8	Very high	93	Very high	67 Å²	67	35.3 Å²	35.3	35%	0.351	18%	0.184	S	C	.	.	H	α-helix	trans	-64.9	-42.3	178.7	-179.2	60.8	0	0	0	111.6	C563 V623 A624 F625 L630 M631	C563-L627 WeakPolarHBondContact SG-CD2 3.27Å; C563-L627 VanDerWaalsContact SG-CG 3.55Å; V623-L627 VanDerWaalsContact O-CB 3.28Å; V623-L627 WeakPolarHBondContact O-CB 3.04Å; V623-L627 PolarHBondContact O-N 3.38Å; A624-L627 PolarHBondContact O-N 2.98Å; F625-L627 VanDerWaalsContact C-N 3.29Å; F625-L627 PolarHBondContact O-N 3.03Å; L627-L630 HydrophobicContact CD1-CD2 4.43Å; L627-L630 WeakPolarHBondContact O-CB 3.43Å; L627-L630 PolarHBondContact O-N 2.72Å; L627-M631 HydrophobicContact CD1-CE 3.72Å; L627-M631 HydrophobicContact CD1-CG 3.94Å; L627-M631 HydrophobicContact CG-CG 4.29Å; L627-M631 WeakPolarHBondContact O-CB 3.22Å; L627-M631 VanDerWaalsContact O-CG 3.25Å; L627-M631 WeakPolarHBondContact O-CG 3.2Å; L627-M631 PolarHBondContact O-N 3.13Å
628	K	96.4	Very high	93.7	Very high	16 Å²	16	34.3 Å²	34.3	7%	0.07	18%	0.181	C	C	.	.	H	α-helix	trans	-54	-57.3	175.5	176.3	-175.6	170.9	-169.1	0	111.5	R500 L564 C567 D568 A624 F625 L630 M631 T632	R500-K628 VanDerWaalsContact NH2-CE 3.25Å; L564-K628 HydrophobicContact CD2-CG 3.95Å; L564-K628 WeakPolarHBondContact CD2-O 3.12Å; C567-K628 HydrophobicContact CB-CB 4.02Å; C567-K628 HydrophobicContact CB-CD 4.42Å; C567-K628 HydrophobicContact CB-CG 4.3Å; D568-K628 IonicContact OD1-NZ 3.96Å; A624-K628 WeakPolarHBondContact O-CB 3.4Å; A624-K628 PolarHBondContact O-N 3.22Å; F625-K628 WeakPolarHBondContact O-CB 3.47Å; F625-K628 PolarHBondContact O-N 2.91Å; K628-L630 VanDerWaalsContact C-N 3.31Å; K628-L630 PolarHBondContact O-N 3Å; K628-M631 PolarHBondContact O-N 3.35Å; K628-M631 VanDerWaalsContact O-N 3.16Å; K628-T632 PolarHBondContact O-N 2.03Å; K628-T632 PolarHBondContact O-OG1 3.45Å
629	Y	96.6	Very high	93.8	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-65.9	-33.7	-178.7	-60	-72.2	0	0	0	113	V275 I279 Y325 D484 L486 F625 T632 L633	V275-Y629 HydrophobicContact CG1-CD2 4.3Å; V275-Y629 HydrophobicContact CG1-CE2 4.35Å; I279-Y629 HydrophobicContact CD1-CD1 3.91Å; I279-Y629 HydrophobicContact CD1-CD2 3.57Å; I279-Y629 HydrophobicContact CD1-CE1 4.24Å; I279-Y629 HydrophobicContact CD1-CE2 3.96Å; I279-Y629 HydrophobicContact CD1-CG 3.58Å; I279-Y629 HydrophobicContact CG1-CD1 4.42Å; I279-Y629 HydrophobicContact CG1-CD2 4.06Å; I279-Y629 HydrophobicContact CG1-CG 3.82Å; Y325-Y629 AromaticContact CE1-CD1 3.9Å; Y325-Y629 HydrophobicContact CE1-CD1 3.9Å; Y325-Y629 HydrophobicContact CE1-CE1 4.14Å; D484-Y629 PolarHBondContact OD1-OH 3.24Å; D484-Y629 PolarHBondContact OD2-OH 3.41Å; L486-Y629 HydrophobicContact CB-CE2 4.01Å; L486-Y629 HydrophobicContact CD1-CE2 4.22Å; F625-Y629 HydrophobicContact CB-CE2 4.42Å; F625-Y629 WeakPolarHBondContact O-CD2 3.36Å; F625-Y629 PolarHBondContact O-N 3.14Å; Y629-T632 PolarHBondContact O-N 3.4Å; Y629-L633 PolarHBondContact O-N 2.74Å
630	L	96.8	Very high	93.6	Very high	26 Å²	26	28.1 Å²	28.1	14%	0.136	15%	0.151	C	C	.	.	H	α-helix	trans	-58.6	-51.2	171.8	175.9	68.6	0	0	0	110.6	W278 W282 M626 L627 K628 T632 L633 V634	W278-L630 HydrophobicContact CZ2-CB 4.42Å; W278-L630 HydrophobicContact CZ2-CD1 4.21Å; W278-L630 HydrophobicContact CZ2-CD2 4.19Å; W282-L630 HydrophobicContact CD2-CD1 3.34Å; W282-L630 HydrophobicContact CE3-CD1 3.63Å; W282-L630 HydrophobicContact CG-CD1 3.85Å; W282-L630 HydrophobicContact CH2-CD1 3.95Å; W282-L630 HydrophobicContact CZ2-CD1 3.64Å; W282-L630 HydrophobicContact CZ3-CD1 3.93Å; M626-L630 WeakPolarHBondContact O-CB 3.26Å; M626-L630 PolarHBondContact O-N 3.48Å; M626-L630 VanDerWaalsContact O-N 3.09Å; L627-L630 HydrophobicContact CD1-CD2 4.43Å; L627-L630 WeakPolarHBondContact O-CB 3.43Å; L627-L630 PolarHBondContact O-N 2.72Å; K628-L630 VanDerWaalsContact C-N 3.31Å; K628-L630 PolarHBondContact O-N 3Å; L630-T632 VanDerWaalsContact C-N 3.27Å; L630-T632 PolarHBondContact O-N 3.42Å; L630-L633 PolarHBondContact O-N 3.22Å; L630-V634 HydrophobicContact CD1-CG2 3.66Å; L630-V634 HydrophobicContact CG-CG2 3.83Å; L630-V634 VanDerWaalsContact O-CG2 3.24Å; L630-V634 WeakPolarHBondContact O-CG2 3.44Å; L630-V634 PolarHBondContact O-N 3.33Å
631	M	96.5	Very high	93.3	Very high	28 Å²	28	33.5 Å²	33.5	14%	0.138	17%	0.174	C	C	.	.	H	α-helix	trans	-65.3	-30.8	-178.2	-68.7	-62	124.8	0	0	112.3	P560 C563 L564 L627 K628 L633	P560-M631 HydrophobicContact CB-CB 4.05Å; P560-M631 WeakPolarHBondContact CB-O 3.16Å; P560-M631 HydrophobicContact CB-SD 3.94Å; P560-M631 HydrophobicContact CG-SD 4.06Å; C563-M631 HydrophobicContact CB-CB 4.43Å; C563-M631 HydrophobicContact CB-CG 3.8Å; C563-M631 HydrophobicContact CB-SD 4.34Å; L564-M631 HydrophobicContact CD2-CB 3.99Å; L564-M631 HydrophobicContact CG-CB 3.99Å; L627-M631 HydrophobicContact CD1-CE 3.72Å; L627-M631 HydrophobicContact CD1-CG 3.94Å; L627-M631 HydrophobicContact CG-CG 4.29Å; L627-M631 WeakPolarHBondContact O-CB 3.22Å; L627-M631 VanDerWaalsContact O-CG 3.25Å; L627-M631 WeakPolarHBondContact O-CG 3.2Å; L627-M631 PolarHBondContact O-N 3.13Å; K628-M631 PolarHBondContact O-N 3.35Å; K628-M631 VanDerWaalsContact O-N 3.16Å; M631-L633 VanDerWaalsContact C-N 3.3Å; M631-L633 PolarHBondContact O-N 3.48Å
632	T	96.3	Very high	93	Very high	15 Å²	15	28.2 Å²	28.2	9%	0.092	15%	0.149	C	C	.	.	H	α-helix	trans	-60.1	-39.4	170	-58.1	0	0	0	0	111.8	Y318 I321 Y325 L564 K628 Y629 L630	Y318-T632 WeakPolarHBondContact CE1-O 3.27Å; I321-T632 HydrophobicContact CG2-CG2 4.26Å; Y325-T632 HydrophobicContact CE2-CG2 3.97Å; L564-T632 VanDerWaalsContact CD2-OG1 3.32Å; L564-T632 WeakPolarHBondContact CD2-OG1 3.43Å; K628-T632 PolarHBondContact O-N 2.03Å; K628-T632 PolarHBondContact O-OG1 3.45Å; Y629-T632 PolarHBondContact O-N 3.4Å; L630-T632 VanDerWaalsContact C-N 3.27Å; L630-T632 PolarHBondContact O-N 3.42Å
633	L	97.1	Very high	92.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-93	-29.4	-172.3	-66.4	166.6	0	0	0	113.9	W282 C286 Y325 Y629 L630 M631 V635 G636 I637	W282-L633 HydrophobicContact CB-CB 4.37Å; W282-L633 HydrophobicContact CB-CD1 3.68Å; C286-L633 HydrophobicContact CB-CB 4.28Å; C286-L633 HydrophobicContact CB-CD2 4.09Å; C286-L633 PolarHBondContact SG-O 3.49Å; C286-L633 VanDerWaalsContact SG-O 3.41Å; Y325-L633 HydrophobicContact CD2-CD2 3.97Å; Y629-L633 PolarHBondContact O-N 2.74Å; L630-L633 PolarHBondContact O-N 3.22Å; M631-L633 VanDerWaalsContact C-N 3.3Å; M631-L633 PolarHBondContact O-N 3.48Å; L633-V635 PolarHBondContact O-N 2.82Å; L633-G636 PolarHBondContact O-N 3.2Å; L633-G636 VanDerWaalsContact O-N 3.13Å; L633-I637 PolarHBondContact O-N 3.24Å
634	V	95.6	Very high	92.2	Very high	31 Å²	31	29 Å²	29	19%	0.188	14%	0.14	C	C	.	.	H	α-helix	trans	-58.3	-33.6	-176.8	161.4	0	0	0	0	112.9	P560 L630 G636 I637 T638	P560-V634 HydrophobicContact CG-CG1 4.29Å; L630-V634 HydrophobicContact CD1-CG2 3.66Å; L630-V634 HydrophobicContact CG-CG2 3.83Å; L630-V634 VanDerWaalsContact O-CG2 3.24Å; L630-V634 WeakPolarHBondContact O-CG2 3.44Å; L630-V634 PolarHBondContact O-N 3.33Å; V634-G636 VanDerWaalsContact C-N 3.34Å; V634-G636 PolarHBondContact O-N 2.92Å; V634-I637 WeakPolarHBondContact O-CB 3.47Å; V634-I637 PolarHBondContact O-N 3.29Å; V634-I637 VanDerWaalsContact O-N 3.17Å; V634-T638 HydrophobicContact CG1-CG2 4.2Å; V634-T638 WeakPolarHBondContact O-CG2 3.43Å; V634-T638 PolarHBondContact O-N 2.99Å; V634-T638 PolarHBondContact O-OG1 3.19Å
635	V	93.5	Very high	91.8	Very high	2 Å²	2	30 Å²	30	1%	0.012	15%	0.146	C	C	.	.	H	α-helix	trans	-61.3	-43.6	178.5	179	0	0	0	0	111.5	L314 Y318 Y557 P560 L633 I637 T638 S639	L314-V635 HydrophobicContact CD2-CG1 3.99Å; Y318-V635 HydrophobicContact CD2-CB 4.39Å; Y318-V635 HydrophobicContact CD2-CG1 3.99Å; Y318-V635 HydrophobicContact CE1-CB 4Å; Y318-V635 HydrophobicContact CE1-CG1 4.43Å; Y318-V635 HydrophobicContact CE2-CB 3.71Å; Y318-V635 HydrophobicContact CE2-CG1 3.23Å; Y318-V635 VanDerWaalsContact CZ-CB 3.47Å; Y318-V635 VanDerWaalsContact CZ-CG1 3.5Å; Y318-V635 WeakPolarHBondContact OH-CB 3.34Å; Y557-V635 HydrophobicContact CD2-CB 4.43Å; Y557-V635 HydrophobicContact CD2-CG1 3.34Å; Y557-V635 HydrophobicContact CD2-CG2 4.21Å; Y557-V635 HydrophobicContact CE2-CG1 3.58Å; Y557-V635 HydrophobicContact CE2-CG2 4.38Å; Y557-V635 HydrophobicContact CG-CG1 4.44Å; P560-V635 HydrophobicContact CB-CG2 3.64Å; P560-V635 HydrophobicContact CG-CG2 3.82Å; L633-V635 PolarHBondContact O-N 2.82Å; V635-I637 VanDerWaalsContact C-N 3.31Å; V635-I637 PolarHBondContact O-N 3.48Å; V635-T638 PolarHBondContact O-N 3.46Å; V635-T638 PolarHBondContact O-OG1 2.91Å; V635-S639 PolarHBondContact O-N 3.39Å
636	G	94.2	Very high	91.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.1	-40.3	175.4	0	0	0	0	0	111.9	T290 L633 V634 T638 S639	T290-G636 WeakPolarHBondContact CG2-O 3.33Å; L633-G636 PolarHBondContact O-N 3.2Å; L633-G636 VanDerWaalsContact O-N 3.13Å; V634-G636 VanDerWaalsContact C-N 3.34Å; V634-G636 PolarHBondContact O-N 2.92Å; G636-T638 PolarHBondContact O-N 2.85Å; G636-S639 WeakPolarHBondContact O-CB 3.37Å; G636-S639 PolarHBondContact O-N 2.8Å; G636-S639 PolarHBondContact O-OG 2.82Å
637	I	94.3	Very high	91	Very high	24 Å²	24	38.3 Å²	38.3	12%	0.123	19%	0.192	C	C	.	.	H	α-helix	trans	-62.7	-44.6	177.9	-61.7	172	0	0	0	111.5	W282 M285 C286 S289 L633 V634 V635 S639 G640 F641	W282-I637 HydrophobicContact CE3-CD1 3.5Å; W282-I637 VanDerWaalsContact CE3-CD1 3.5Å; W282-I637 HydrophobicContact CZ3-CD1 3.79Å; M285-I637 HydrophobicContact CB-CD1 4.1Å; M285-I637 HydrophobicContact CE-CD1 4.28Å; C286-I637 HydrophobicContact CB-CD1 4.44Å; C286-I637 HydrophobicContact CB-CG1 3.94Å; S289-I637 PolarHBondContact OG-O 2.97Å; L633-I637 PolarHBondContact O-N 3.24Å; V634-I637 WeakPolarHBondContact O-CB 3.47Å; V634-I637 PolarHBondContact O-N 3.29Å; V634-I637 VanDerWaalsContact O-N 3.17Å; V635-I637 VanDerWaalsContact C-N 3.31Å; V635-I637 PolarHBondContact O-N 3.48Å; I637-S639 PolarHBondContact O-N 3.23Å; I637-G640 PolarHBondContact O-N 2.96Å; I637-F641 HydrophobicContact CG2-CE2 3.9Å
638	T	91.5	Very high	90.6	Very high	32 Å²	32	35.3 Å²	35.3	20%	0.196	18%	0.176	C	C	.	.	H	α-helix	trans	-64.6	-25.7	-179.9	57.9	0	0	0	0	113.4	V634 V635 G636 G640 F641 W642	V634-T638 HydrophobicContact CG1-CG2 4.2Å; V634-T638 WeakPolarHBondContact O-CG2 3.43Å; V634-T638 PolarHBondContact O-N 2.99Å; V634-T638 PolarHBondContact O-OG1 3.19Å; V635-T638 PolarHBondContact O-N 3.46Å; V635-T638 PolarHBondContact O-OG1 2.91Å; G636-T638 PolarHBondContact O-N 2.85Å; T638-G640 VanDerWaalsContact C-N 3.34Å; T638-G640 PolarHBondContact O-N 2.84Å; T638-F641 PolarHBondContact O-N 3.04Å; T638-W642 PolarHBondContact O-N 3.36Å
639	S	86.6	Confident	90.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.1	-32.5	175.7	79.3	0	0	0	0	113.5	S315 V635 G636 I637 W642	S315-S639 WeakPolarHBondContact OG-CB 3.26Å; S315-S639 PolarHBondContact OG-OG 3.18Å; V635-S639 PolarHBondContact O-N 3.39Å; G636-S639 WeakPolarHBondContact O-CB 3.37Å; G636-S639 PolarHBondContact O-N 2.8Å; G636-S639 PolarHBondContact O-OG 2.82Å; I637-S639 PolarHBondContact O-N 3.23Å; S639-W642 WeakPolarHBondContact O-CB 3.38Å; S639-W642 PolarHBondContact O-N 3.14Å
640	G	83.6	Confident	89.9	Confident	2 Å²	2	42.9 Å²	42.9	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-67.4	-40.2	174.5	0	0	0	0	0	113.4	S289 T293 I637 T638 W642 I643	S289-G640 VanDerWaalsContact OG-CA 3.27Å; S289-G640 WeakPolarHBondContact OG-CA 3.24Å; S289-G640 PolarHBondContact OG-N 2.92Å; T293-G640 VanDerWaalsContact OG1-CA 3.31Å; T293-G640 WeakPolarHBondContact OG1-CA 3.28Å; I637-G640 PolarHBondContact O-N 2.96Å; T638-G640 VanDerWaalsContact C-N 3.34Å; T638-G640 PolarHBondContact O-N 2.84Å; G640-W642 PolarHBondContact O-N 3.18Å; G640-I643 WeakPolarHBondContact O-CG1 3.38Å; G640-I643 PolarHBondContact O-N 3.41Å; G640-I643 VanDerWaalsContact O-N 3.11Å
641	F	85.4	Confident	89.4	Confident	118 Å²	118	42.4 Å²	42.4	52%	0.518	22%	0.215	S	C	.	.	H	α-helix	trans	-61.5	-28	173.7	-67.6	-64.2	0	0	0	112	I637 T638 I643 W644	I637-F641 HydrophobicContact CG2-CE2 3.9Å; T638-F641 PolarHBondContact O-N 3.04Å; F641-I643 VanDerWaalsContact C-N 3.34Å; F641-I643 PolarHBondContact O-N 2.77Å; F641-W644 HydrophobicContact CD1-CD2 4.29Å; F641-W644 HydrophobicContact CD1-CE3 4.07Å; F641-W644 HydrophobicContact CD1-CH2 4.1Å; F641-W644 HydrophobicContact CD1-CZ2 4.3Å; F641-W644 AromaticContact CD1-CZ3 3.97Å; F641-W644 HydrophobicContact CD1-CZ3 3.97Å; F641-W644 AromaticContact CE1-CH2 3.79Å; F641-W644 HydrophobicContact CE1-CH2 3.79Å; F641-W644 HydrophobicContact CE1-CZ2 4.22Å; F641-W644 AromaticContact CE1-CZ3 3.94Å; F641-W644 HydrophobicContact CE1-CZ3 3.94Å; F641-W644 PolarHBondContact O-N 3.03Å
642	W	83.9	Confident	89.1	Confident	14 Å²	14	42.9 Å²	42.9	5%	0.053	22%	0.216	C	C	.	.	H	α-helix	trans	-70	-26.1	177.2	-174.3	97.4	0	0	0	113.3	F304 E308 I311 R549 F553 T638 S639 G640	F304-W642 HydrophobicContact CD1-CH2 4.09Å; F304-W642 AromaticContact CD1-CZ3 3.93Å; F304-W642 HydrophobicContact CD1-CZ3 3.93Å; F304-W642 HydrophobicContact CE1-CH2 4.09Å; F304-W642 AromaticContact CE1-CZ3 3.62Å; F304-W642 HydrophobicContact CE1-CZ3 3.62Å; E308-W642 HydrophobicContact CB-CH2 3.83Å; E308-W642 HydrophobicContact CB-CZ2 4.14Å; E308-W642 HydrophobicContact CG-CH2 3.89Å; E308-W642 HydrophobicContact CG-CZ2 3.85Å; E308-W642 VanDerWaalsContact OE2-CH2 3.24Å; E308-W642 WeakPolarHBondContact OE2-CH2 3.35Å; I311-W642 HydrophobicContact CD1-CD2 3.91Å; I311-W642 HydrophobicContact CD1-CE3 4.44Å; I311-W642 HydrophobicContact CD1-CG 4.32Å; I311-W642 HydrophobicContact CD1-CH2 4.36Å; I311-W642 HydrophobicContact CD1-CZ2 3.81Å; I311-W642 HydrophobicContact CG2-CD2 4.34Å; I311-W642 HydrophobicContact CG2-CE3 4.2Å; R549-W642 PolarHBondContact NH1-O 3.37Å; R549-W642 PolarHBondContact NH2-O 3.41Å; F553-W642 HydrophobicContact CD2-CB 4.32Å; T638-W642 PolarHBondContact O-N 3.36Å; S639-W642 WeakPolarHBondContact O-CB 3.38Å; S639-W642 PolarHBondContact O-N 3.14Å; G640-W642 PolarHBondContact O-N 3.18Å
643	I	85.6	Confident	88.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-85.9	-9.4	175.9	59.1	151.3	0	0	0	113.6	F292 T293 T296 F304 G640 F641 S645 T648	F292-I643 HydrophobicContact CD1-CD1 3.3Å; F292-I643 HydrophobicContact CD1-CG1 4.14Å; F292-I643 HydrophobicContact CE1-CD1 3.26Å; F292-I643 HydrophobicContact CE1-CG1 4.05Å; F292-I643 HydrophobicContact CG-CD1 4.12Å; F292-I643 HydrophobicContact CZ-CD1 4.07Å; T293-I643 HydrophobicContact CG2-CG2 3.82Å; T296-I643 HydrophobicContact CG2-CD1 4.1Å; T296-I643 VanDerWaalsContact OG1-CD1 3.29Å; T296-I643 WeakPolarHBondContact OG1-CD1 3.48Å; F304-I643 HydrophobicContact CE1-CG2 4.33Å; F304-I643 HydrophobicContact CZ-CG2 4.29Å; G640-I643 WeakPolarHBondContact O-CG1 3.38Å; G640-I643 PolarHBondContact O-N 3.41Å; G640-I643 VanDerWaalsContact O-N 3.11Å; F641-I643 VanDerWaalsContact C-N 3.34Å; F641-I643 PolarHBondContact O-N 2.77Å; I643-S645 PolarHBondContact O-N 3.43Å; I643-S645 VanDerWaalsContact O-N 3.17Å; I643-T648 WeakPolarHBondContact O-CB 3.13Å; I643-T648 PolarHBondContact O-OG1 3.39Å
644	W	84.2	Confident	88.3	Confident	158 Å²	158	52.3 Å²	52.3	60%	0.598	26%	0.262	S	S	*	.			trans	-65.9	119.1	179	-70.3	13.4	0	0	0	110.2	F292 R549 F641	F292-W644 AromaticContact CE1-CD1 3.98Å; F292-W644 AromaticContact CE1-NE1 3.83Å; R549-W644 PolarHBondContact NH2-O 2.66Å; R549-W644 VanDerWaalsContact NH2-O 3.08Å; F641-W644 HydrophobicContact CD1-CD2 4.29Å; F641-W644 HydrophobicContact CD1-CE3 4.07Å; F641-W644 HydrophobicContact CD1-CH2 4.1Å; F641-W644 HydrophobicContact CD1-CZ2 4.3Å; F641-W644 AromaticContact CD1-CZ3 3.97Å; F641-W644 HydrophobicContact CD1-CZ3 3.97Å; F641-W644 AromaticContact CE1-CH2 3.79Å; F641-W644 HydrophobicContact CE1-CH2 3.79Å; F641-W644 HydrophobicContact CE1-CZ2 4.22Å; F641-W644 AromaticContact CE1-CZ3 3.94Å; F641-W644 HydrophobicContact CE1-CZ3 3.94Å; F641-W644 PolarHBondContact O-N 3.03Å
645	S	84.7	Confident	87.9	Confident	45 Å²	45	55.1 Å²	55.1	32%	0.315	27%	0.272	S	S	.	.	S	Bend	trans	-169	153.8	-178.2	-179.7	0	0	0	0	109	I643 K647 T648 I649	I643-S645 PolarHBondContact O-N 3.43Å; I643-S645 VanDerWaalsContact O-N 3.17Å; S645-K647 PolarHBondContact O-N 3.37Å; S645-T648 WeakPolarHBondContact O-CA 3.49Å; S645-T648 VanDerWaalsContact O-CB 3.27Å; S645-T648 WeakPolarHBondContact O-CB 3.49Å; S645-T648 PolarHBondContact O-N 2.95Å; S645-I649 PolarHBondContact O-N 3Å
646	S	86.6	Confident	87.6	Confident	88 Å²	88	61.8 Å²	61.8	62%	0.615	30%	0.298	S	S	*	.	H	α-helix	trans	-51.5	-39.5	171.7	-46.7	0	0	0	0	112	T648 I649 D650	S646-T648 PolarHBondContact O-N 2.72Å; S646-T648 VanDerWaalsContact O-N 3.14Å; S646-I649 WeakPolarHBondContact O-CB 3.36Å; S646-I649 PolarHBondContact O-N 3.44Å; S646-D650 VanDerWaalsContact O-CG 3.25Å; S646-D650 PolarHBondContact O-N 2.86Å
647	K	85	Confident	87.2	Confident	134 Å²	134	66.9 Å²	66.9	58%	0.583	33%	0.325	S	S	*	.	H	α-helix	trans	-58.4	-31	176.1	-67.4	179.7	-178.1	166.9	0	113.6	R303 S645 S651	R303-K647 PolarHBondContact NH1-O 3.18Å; S645-K647 PolarHBondContact O-N 3.37Å; K647-S651 WeakPolarHBondContact O-CB 3.35Å; K647-S651 PolarHBondContact O-N 3.15Å; K647-S651 PolarHBondContact O-OG 2.83Å
648	T	88.4	Confident	86.6	Confident	5 Å²	5	73.7 Å²	73.7	3%	0.031	35%	0.35	C	S	.	.	H	α-helix	trans	-70.7	-45.4	178.1	-57.9	0	0	0	0	109.8	F292 T296 R303 I643 S645 S646 D650 S651 W652	F292-T648 HydrophobicContact CZ-CG2 4.1Å; T296-T648 HydrophobicContact CG2-CG2 3.78Å; R303-T648 VanDerWaalsContact NH1-N 3.19Å; R303-T648 PolarHBondContact NH1-OG1 3.27Å; R303-T648 PolarHBondContact NH2-OG1 3.31Å; I643-T648 WeakPolarHBondContact O-CB 3.13Å; I643-T648 PolarHBondContact O-OG1 3.39Å; S645-T648 WeakPolarHBondContact O-CA 3.49Å; S645-T648 VanDerWaalsContact O-CB 3.27Å; S645-T648 WeakPolarHBondContact O-CB 3.49Å; S645-T648 PolarHBondContact O-N 2.95Å; S646-T648 PolarHBondContact O-N 2.72Å; S646-T648 VanDerWaalsContact O-N 3.14Å; T648-D650 VanDerWaalsContact C-N 3.3Å; T648-D650 PolarHBondContact O-N 2.77Å; T648-S651 PolarHBondContact O-N 3.41Å; T648-W652 PolarHBondContact O-N 3.28Å
649	I	89.3	Confident	86.1	Confident	102 Å²	102	79.9 Å²	79.9	52%	0.523	37%	0.37	S	S	.	.	H	α-helix	trans	-58	-46.3	173.6	-59	173.8	0	0	0	109.9	S645 S646 S651 W652 Q653	S645-I649 PolarHBondContact O-N 3Å; S646-I649 WeakPolarHBondContact O-CB 3.36Å; S646-I649 PolarHBondContact O-N 3.44Å; I649-S651 PolarHBondContact O-N 2.86Å; I649-W652 PolarHBondContact O-N 3.01Å; I649-Q653 HydrophobicContact CG2-CG 4.18Å; I649-Q653 WeakPolarHBondContact O-CB 3.3Å; I649-Q653 VanDerWaalsContact O-CG 3.31Å; I649-Q653 WeakPolarHBondContact O-CG 3.38Å; I649-Q653 PolarHBondContact O-N 3.19Å
650	D	88.3	Confident	85.5	Confident	77 Å²	77	83.7 Å²	83.7	41%	0.412	40%	0.396	S	S	.	.	H	α-helix	trans	-60.1	-43.3	177.8	-56.4	-30	0	0	0	112.1	S646 T648 W652 Q653 N654	S646-D650 VanDerWaalsContact O-CG 3.25Å; S646-D650 PolarHBondContact O-N 2.86Å; T648-D650 VanDerWaalsContact C-N 3.3Å; T648-D650 PolarHBondContact O-N 2.77Å; D650-W652 PolarHBondContact O-N 3.04Å; D650-Q653 PolarHBondContact O-N 3.07Å; D650-N654 WeakPolarHBondContact O-CB 3.24Å; D650-N654 VanDerWaalsContact O-CG 3.24Å; D650-N654 PolarHBondContact O-N 3.48Å; D650-N654 PolarHBondContact O-ND2 3.41Å
651	S	87.7	Confident	84.9	Confident	15 Å²	15	87.3 Å²	87.3	11%	0.105	42%	0.42	C	S	.	.	H	α-helix	trans	-61.8	-45.7	178.6	-55.1	0	0	0	0	111.2	K647 T648 I649 F655	K647-S651 WeakPolarHBondContact O-CB 3.35Å; K647-S651 PolarHBondContact O-N 3.15Å; K647-S651 PolarHBondContact O-OG 2.83Å; T648-S651 PolarHBondContact O-N 3.41Å; I649-S651 PolarHBondContact O-N 2.86Å; S651-F655 WeakPolarHBondContact O-CB 3.39Å; S651-F655 PolarHBondContact O-N 3.03Å
652	W	89.8	Confident	83.8	Confident	39 Å²	39	84.7 Å²	84.7	15%	0.148	42%	0.416	C	S	.	.	H	α-helix	trans	-69.3	-41.8	178.2	-79.1	101.2	0	0	0	111.8	F292 L295 T296 V299 T648 I649 D650 N654 F655 Y656	F292-W652 HydrophobicContact CD2-CZ2 4.07Å; F292-W652 AromaticContact CE2-CE2 3.76Å; F292-W652 AromaticContact CE2-CZ2 3.86Å; F292-W652 HydrophobicContact CE2-CZ2 3.86Å; F292-W652 AromaticContact CE2-NE1 3.54Å; F292-W652 AromaticContact CZ-NE1 3.88Å; L295-W652 HydrophobicContact CB-CH2 3.97Å; L295-W652 HydrophobicContact CB-CZ2 4Å; T296-W652 PolarHBondContact OG1-NE1 3.03Å; V299-W652 HydrophobicContact CG2-CH2 4.39Å; V299-W652 HydrophobicContact CG2-CZ3 4.47Å; T648-W652 PolarHBondContact O-N 3.28Å; I649-W652 PolarHBondContact O-N 3.01Å; D650-W652 PolarHBondContact O-N 3.04Å; W652-N654 PolarHBondContact O-N 3.17Å; W652-F655 HydrophobicContact CE3-CD1 4.4Å; W652-F655 PolarHBondContact O-N 3.24Å; W652-Y656 HydrophobicContact CB-CD2 4.44Å; W652-Y656 HydrophobicContact CB-CE2 4.41Å; W652-Y656 HydrophobicContact CE3-CD2 4.46Å; W652-Y656 AromaticContact CE3-CE2 3.73Å; W652-Y656 HydrophobicContact CE3-CE2 3.73Å; W652-Y656 HydrophobicContact CZ3-CE2 4.45Å; W652-Y656 WeakPolarHBondContact O-CD2 3.45Å; W652-Y656 PolarHBondContact O-N 2.89Å
653	Q	89.7	Confident	82.5	Confident	107 Å²	107	88.6 Å²	88.6	50%	0.5	44%	0.444	S	S	.	.	H	α-helix	trans	-57.4	-48.1	173.6	-78	179.2	-12.7	0	0	111.1	I649 D650 F655 Y656 L657	I649-Q653 HydrophobicContact CG2-CG 4.18Å; I649-Q653 WeakPolarHBondContact O-CB 3.3Å; I649-Q653 VanDerWaalsContact O-CG 3.31Å; I649-Q653 WeakPolarHBondContact O-CG 3.38Å; I649-Q653 PolarHBondContact O-N 3.19Å; D650-Q653 PolarHBondContact O-N 3.07Å; Q653-F655 VanDerWaalsContact C-N 3.34Å; Q653-F655 PolarHBondContact O-N 3.4Å; Q653-Y656 PolarHBondContact O-N 3.47Å; Q653-L657 VanDerWaalsContact O-CB 3.32Å; Q653-L657 WeakPolarHBondContact O-CB 3.02Å; Q653-L657 WeakPolarHBondContact O-CG 3.46Å; Q653-L657 PolarHBondContact O-N 2.95Å
654	N	86.7	Confident	81.1	Confident	106 Å²	106	98.9 Å²	98.9	57%	0.567	48%	0.483	S	S	*	.	H	α-helix	trans	-61.7	-41.3	176.8	-73	-35.4	0	0	0	112.1	D650 W652 L657 Y658	D650-N654 WeakPolarHBondContact O-CB 3.24Å; D650-N654 VanDerWaalsContact O-CG 3.24Å; D650-N654 PolarHBondContact O-N 3.48Å; D650-N654 PolarHBondContact O-ND2 3.41Å; W652-N654 PolarHBondContact O-N 3.17Å; N654-L657 PolarHBondContact O-N 3.15Å; N654-Y658 VanDerWaalsContact O-CB 3.25Å; N654-Y658 WeakPolarHBondContact O-CB 3.03Å; N654-Y658 PolarHBondContact O-N 2.97Å
655	F	86.7	Confident	79.5	Confident	90 Å²	90	93.9 Å²	93.9	40%	0.395	48%	0.48	S	S	.	.	H	α-helix	trans	-62.6	-47.3	175.8	178.9	-99.1	0	0	0	112.2	V299 S651 W652 Q653 Y658 R659	V299-F655 HydrophobicContact CG1-CB 3.77Å; V299-F655 HydrophobicContact CG1-CD2 4.08Å; V299-F655 HydrophobicContact CG1-CG 4.06Å; V299-F655 HydrophobicContact CG2-CD2 4.1Å; V299-F655 HydrophobicContact CG2-CE2 4.36Å; V299-F655 HydrophobicContact CG2-CG 4.18Å; S651-F655 WeakPolarHBondContact O-CB 3.39Å; S651-F655 PolarHBondContact O-N 3.03Å; W652-F655 HydrophobicContact CE3-CD1 4.4Å; W652-F655 PolarHBondContact O-N 3.24Å; Q653-F655 VanDerWaalsContact C-N 3.34Å; Q653-F655 PolarHBondContact O-N 3.4Å; F655-Y658 PolarHBondContact O-N 3.27Å; F655-R659 WeakPolarHBondContact O-CB 3.32Å; F655-R659 PolarHBondContact O-N 3.29Å
656	Y	87.2	Confident	77.7	Confident	141 Å²	141	95.2 Å²	95.2	55%	0.553	50%	0.501	S	S	*	.	H	α-helix	trans	-63.1	-43.8	176.5	-79.3	-66	0	0	0	111.6	W652 Q653 R659 C660	W652-Y656 HydrophobicContact CB-CD2 4.44Å; W652-Y656 HydrophobicContact CB-CE2 4.41Å; W652-Y656 HydrophobicContact CE3-CD2 4.46Å; W652-Y656 AromaticContact CE3-CE2 3.73Å; W652-Y656 HydrophobicContact CE3-CE2 3.73Å; W652-Y656 HydrophobicContact CZ3-CE2 4.45Å; W652-Y656 WeakPolarHBondContact O-CD2 3.45Å; W652-Y656 PolarHBondContact O-N 2.89Å; Q653-Y656 PolarHBondContact O-N 3.47Å; Y656-R659 PolarHBondContact O-N 3.46Å; Y656-C660 WeakPolarHBondContact O-CB 3.3Å; Y656-C660 PolarHBondContact O-N 3.11Å; Y656-C660 PolarHBondContact O-SG 3.09Å
657	L	85.7	Confident	75.8	Confident	107 Å²	107	95.7 Å²	95.7	56%	0.56	51%	0.511	S	S	*	.	H	α-helix	trans	-63.9	-41	177	-72.2	172	0	0	0	112.1	Q653 N654 C660 S661	Q653-L657 VanDerWaalsContact O-CB 3.32Å; Q653-L657 WeakPolarHBondContact O-CB 3.02Å; Q653-L657 WeakPolarHBondContact O-CG 3.46Å; Q653-L657 PolarHBondContact O-N 2.95Å; N654-L657 PolarHBondContact O-N 3.15Å; L657-C660 PolarHBondContact O-N 2.98Å; L657-S661 WeakPolarHBondContact O-CB 3.4Å; L657-S661 PolarHBondContact O-N 2.9Å; L657-S661 PolarHBondContact O-OG 2.94Å
658	Y	82.4	Confident	73.9	Confident	167 Å²	167	92.6 Å²	92.6	66%	0.655	51%	0.51	S	S	*	.	H	α-helix	trans	-63.2	-42.6	175.2	-177.3	-100.1	0	0	0	111.5	N654 F655 S661 C662	N654-Y658 VanDerWaalsContact O-CB 3.25Å; N654-Y658 WeakPolarHBondContact O-CB 3.03Å; N654-Y658 PolarHBondContact O-N 2.97Å; F655-Y658 PolarHBondContact O-N 3.27Å; Y658-S661 PolarHBondContact O-N 3Å; Y658-C662 PolarHBondContact O-N 3.31Å; Y658-C662 PolarHBondContact O-SG 3.17Å
659	R	79.8	Confident	71.7	Confident	163 Å²	163	98.4 Å²	98.4	62%	0.615	54%	0.541	S	S	*	.	H	α-helix	trans	-67.7	-42.7	177.2	-166.8	64.4	174.1	177.7	0.8	112.1	F655 Y656 S661 C662 C663	F655-R659 WeakPolarHBondContact O-CB 3.32Å; F655-R659 PolarHBondContact O-N 3.29Å; Y656-R659 PolarHBondContact O-N 3.46Å; R659-S661 VanDerWaalsContact C-N 3.31Å; R659-S661 PolarHBondContact O-N 2.03Å; R659-C662 PolarHBondContact O-N 3.49Å; R659-C663 PolarHBondContact O-N 3.1Å; R659-C663 PolarHBondContact O-SG 3.03Å; R659-C663 VanDerWaalsContact O-SG 3.34Å
660	C	75.9	Confident	69.3	Low	80 Å²	80	105.9 Å²	105.9	54%	0.541	56%	0.563	S	S	.	*	H	α-helix	trans	-62.5	-38	174.3	-73.3	0	0	0	0	112.2	Y656 L657 C663 R664	Y656-C660 WeakPolarHBondContact O-CB 3.3Å; Y656-C660 PolarHBondContact O-N 3.11Å; Y656-C660 PolarHBondContact O-SG 3.09Å; L657-C660 PolarHBondContact O-N 2.98Å; C660-C663 PolarHBondContact O-N 2.77Å; C660-R664 PolarHBondContact O-N 2.87Å
661	S	69.7	Low	67.1	Low	77 Å²	77	109.7 Å²	109.7	54%	0.538	58%	0.578	S	S	.	*	H	α-helix	trans	-66.6	-37.4	176.2	-58	0	0	0	0	111.7	L657 Y658 R659 R664 G665	L657-S661 WeakPolarHBondContact O-CB 3.4Å; L657-S661 PolarHBondContact O-N 2.9Å; L657-S661 PolarHBondContact O-OG 2.94Å; Y658-S661 PolarHBondContact O-N 3Å; R659-S661 VanDerWaalsContact C-N 3.31Å; R659-S661 PolarHBondContact O-N 2.03Å; S661-R664 PolarHBondContact O-N 3.28Å; S661-G665 PolarHBondContact O-N 3.33Å
662	C	62.1	Low	64.8	Low	63 Å²	63	117 Å²	117	43%	0.426	62%	0.615	S	S	.	*	H	α-helix	trans	-67.3	-35.1	172.3	-66.7	0	0	0	0	112.6	Y658 R659	Y658-C662 PolarHBondContact O-N 3.31Å; Y658-C662 PolarHBondContact O-SG 3.17Å; R659-C662 PolarHBondContact O-N 3.49Å
663	C	56.5	Low	62.7	Low	97 Å²	97	121.4 Å²	121.4	66%	0.655	65%	0.646	S	S	*	*	H	α-helix	trans	-74.3	-26.7	175.7	-64.8	0	0	0	0	113.1	R659 C660	R659-C663 PolarHBondContact O-N 3.1Å; R659-C663 PolarHBondContact O-SG 3.03Å; R659-C663 VanDerWaalsContact O-SG 3.34Å; C660-C663 PolarHBondContact O-N 2.77Å
664	R	56	Low	60.5	Low	216 Å²	216	121.8 Å²	121.8	82%	0.815	66%	0.658	S	S	*	*	H	α-helix	trans	-84.5	-33.6	173.3	-99.7	-176.4	173.5	-171.7	-2	113.5	C660 S661 G666	C660-R664 PolarHBondContact O-N 2.87Å; S661-R664 PolarHBondContact O-N 3.28Å; R664-G666 VanDerWaalsContact C-N 3.31Å; R664-G666 PolarHBondContact O-N 3.18Å
665	G	50.8	Low	58.5	Low	52 Å²	52	123.2 Å²	123.2	54%	0.536	67%	0.67	S	S	.	*	H	α-helix	trans	-77.5	-7.8	-177.8	0	0	0	0	0	115.6	S661	S661-G665 PolarHBondContact O-N 3.33Å
666	G	47.5	Very low	56.5	Low	73 Å²	73	127.7 Å²	127.7	75%	0.753	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-15.4	174.7	0	0	0	0	0	114.7	R664	R664-G666 VanDerWaalsContact C-N 3.31Å; R664-G666 PolarHBondContact O-N 3.18Å
667	A	47.3	Very low	55.1	Low	99 Å²	99	126.2 Å²	126.2	82%	0.818	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.9	-8.8	-175.1	0	0	0	0	0	114.1
668	A	44.1	Very low	54.1	Low	69 Å²	69	126.8 Å²	126.8	57%	0.57	71%	0.71	S	S	*	*	S	Bend	trans	-142.9	124.2	177.7	0	0	0	0	0	109.5
669	D	42.3	Very low	53.3	Low	127 Å²	127	124.4 Å²	124.4	68%	0.679	72%	0.715	S	S	*	*			trans	91.1	69.6	165.7	-126.1	7.6	0	0	0	118.7	Q671	D669-Q671 PolarHBondContact O-N 3.34Å; D669-Q671 VanDerWaalsContact OD1-CB 3.24Å; D669-Q671 WeakPolarHBondContact OD1-CB 3.07Å; D669-Q671 VanDerWaalsContact OD1-CG 3.28Å; D669-Q671 WeakPolarHBondContact OD1-CG 3.45Å; D669-Q671 PolarHBondContact OD1-N 3.5Å
670	R	38.7	Very low	52.8	Low	259 Å²	259	122.2 Å²	122.2	98%	0.977	72%	0.722	S	S	*	*			trans	-76.8	80.4	135	-84.2	-177.6	177.7	179.9	-0.3	108.2
671	Q	43.4	Very low	52.3	Low	157 Å²	157	123.8 Å²	123.8	73%	0.734	73%	0.732	S	S	*	*			trans	-119.1	124.1	153.4	-80.2	-168.2	-39.8	0	0	109.5	D669 V673	D669-Q671 PolarHBondContact O-N 3.34Å; D669-Q671 VanDerWaalsContact OD1-CB 3.24Å; D669-Q671 WeakPolarHBondContact OD1-CB 3.07Å; D669-Q671 VanDerWaalsContact OD1-CG 3.28Å; D669-Q671 WeakPolarHBondContact OD1-CG 3.45Å; D669-Q671 PolarHBondContact OD1-N 3.5Å; Q671-V673 PolarHBondContact O-N 3.49Å
672	L	38.8	Very low	52.1	Low	169 Å²	169	125.6 Å²	125.6	89%	0.885	74%	0.741	S	S	*	*			trans	-62.2	125.2	177	-68.5	113.8	0	0	0	110.3
673	V	45	Very low	51.9	Low	131 Å²	131	128.7 Å²	128.7	79%	0.794	76%	0.761	S	S	*	*			trans	-98.1	117.2	155.3	178.6	0	0	0	0	107.1	Q671 T675	Q671-V673 PolarHBondContact O-N 3.49Å; V673-T675 PolarHBondContact O-N 2.77Å
674	P	44	Very low	51.5	Low	115 Å²	115	132.8 Å²	132.8	75%	0.747	78%	0.775	S	S	*	*			trans	-67.4	115.1	172.6	-13.6	27.6	0	0	0	109.3	Q676	P674-Q676 PolarHBondContact O-N 2.76Å; P674-Q676 VanDerWaalsContact O-N 3.14Å
675	T	45	Very low	51.1	Low	135 Å²	135	125.8 Å²	125.8	83%	0.828	77%	0.77	S	S	*	*			trans	-65.7	108.2	165.1	42.4	0	0	0	0	108.8	V673	V673-T675 PolarHBondContact O-N 2.77Å
676	Q	43.8	Very low	50.9	Low	184 Å²	184	127.7 Å²	127.7	86%	0.86	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-61.7	135	162.9	-88.1	-175.8	-33	0	0	109.4	P674	P674-Q676 PolarHBondContact O-N 2.76Å; P674-Q676 VanDerWaalsContact O-N 3.14Å
677	P	58.9	Low	50.7	Low	111 Å²	111	130.9 Å²	130.9	72%	0.721	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-69	147.2	172.3	27.5	-31.2	0	0	0	110.8
678	P	63.7	Low	50.5	Low	118 Å²	118	130.3 Å²	130.3	77%	0.766	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-65.1	147.8	177.2	26.6	-33.1	0	0	0	111.6
679	P	66.3	Low	50.3	Low	117 Å²	117	135.8 Å²	135.8	76%	0.76	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-66.1	148	178.1	26.4	-33	0	0	0	112
680	P	69	Low	50.3	Low	117 Å²	117	133.3 Å²	133.3	76%	0.76	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-68.7	148.7	179.4	27.3	-33	0	0	0	112.2
681	P	64.5	Low	50.3	Low	114 Å²	114	125.4 Å²	125.4	74%	0.74	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-68.1	149.9	177.9	27.4	-32.9	0	0	0	112
682	P	65.8	Low	50.2	Low	114 Å²	114	129.9 Å²	129.9	74%	0.74	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-67.5	148.8	177.6	27.4	-32.7	0	0	0	111.6	L684	P682-L684 PolarHBondContact O-N 3.45Å
683	P	59.1	Low	50.8	Low	129 Å²	129	127.9 Å²	127.9	84%	0.838	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-71	119.7	-178.9	27	-31.3	0	0	0	111.1	G685	P683-G685 PolarHBondContact O-N 3.23Å; P683-G685 VanDerWaalsContact O-N 3.14Å
684	L	48.4	Very low	51.1	Low	182 Å²	182	127.7 Å²	127.7	95%	0.953	82%	0.82	S	S	*	*			trans	-76	92.9	168.4	-97.9	137	0	0	0	109.2	P682	P682-L684 PolarHBondContact O-N 3.45Å
685	G	47.2	Very low	51.5	Low	69 Å²	69	128.4 Å²	128.4	71%	0.711	82%	0.824	S	S	*	*			trans	-80.3	126.4	162.4	0	0	0	0	0	109.9	P683	P683-G685 PolarHBondContact O-N 3.23Å; P683-G685 VanDerWaalsContact O-N 3.14Å
686	A	45.3	Very low	51.8	Low	92 Å²	92	128.1 Å²	128.1	76%	0.76	82%	0.824	S	S	*	*			trans	-51	142.2	-177	0	0	0	0	0	114.5
687	T	44.7	Very low	52.3	Low	140 Å²	140	124.6 Å²	124.6	86%	0.859	82%	0.822	S	S	*	*				-170.2	124.4	126.3	15.1	0	0	0	0	111.5
688	A	41.9	Very low	51.9	Low	87 Å²	87	125.5 Å²	125.5	72%	0.719	83%	0.828	S	S	*	*			trans	54.1	108.7	144.2	0	0	0	0	0	118.9
689	L	41	Very low	51.1	Low	185 Å²	185	126 Å²	126	97%	0.969	83%	0.833	S	S	*	*				53.5	102.3	84.8	-81.1	158.5	0	0	0	112.7
690	G	42.4	Very low	49.9	Very low	75 Å²	75	126.7 Å²	126.7	77%	0.773	84%	0.838	S	S	*	*			trans	-176.1	74.2	173.7	0	0	0	0	0	112.8
691	A	38.5	Very low	48.3	Very low	93 Å²	93	127.5 Å²	127.5	77%	0.769	85%	0.845	S	S	*	*			trans	67.1	123.4	148.1	0	0	0	0	0	120.8
692	L	40.7	Very low	46.8	Very low	250 Å²	250	128.7 Å²	128.7	100%	1.309	86%	0.855	S	S	*	*			trans	85.1	0	159.3	-67.2	163.3	0	0	0	118.7

Retrieved 692 of 692 residues in 553.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).