A0A077Z2D0_TRITR Loading...

RINT1 TIP1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2D0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 684 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	37.9	Very low	235 Å²	235	158.7 Å²	158.7	100%	1.158	78%	0.783	S	S	*	*				0	109	0	-64.3	-173.1	-147.5	0	0	105.3
2	L	37.3	Very low	38.2	Very low	167 Å²	167	151.8 Å²	151.8	87%	0.874	75%	0.752	S	S	*	*				52.7	137.2	81.1	-77.6	166.1	0	0	0	113.1
3	F	27.3	Very low	39.2	Very low	202 Å²	202	147 Å²	147	89%	0.886	73%	0.73	S	S	*	*			trans	70.1	29.8	174.4	-102.2	-91	0	0	0	117.3
4	E	48.8	Very low	40.1	Very low	185 Å²	185	149.6 Å²	149.6	86%	0.864	73%	0.73	S	S	*	*	S	Bend	trans	-145.4	63.4	135.9	-149.4	173.8	-144.3	0	0	104.4
5	S	35.5	Very low	40.4	Very low	69 Å²	69	151.1 Å²	151.1	48%	0.483	74%	0.735	S	S	.	*				57.7	71.5	73.6	90.2	0	0	0	0	107.6	M7	S5-M7 VanDerWaalsContact C-N 3.33Å
6	V	35.1	Very low	41.4	Very low	121 Å²	121	150 Å²	150	73%	0.733	73%	0.733	S	S	*	*				61.5	48.9	69.9	-172	0	0	0	0	108.5
7	M	33.2	Very low	42.5	Very low	151 Å²	151	146.4 Å²	146.4	74%	0.744	72%	0.718	S	S	*	*			trans	-156.5	30.6	174.5	-88.2	-54.5	-71.1	0	0	110.9	S5 D9	S5-M7 VanDerWaalsContact C-N 3.33Å; M7-D9 WeakPolarHBondContact CA-OD2 3.18Å; M7-D9 PolarHBondContact N-OD2 3.07Å
8	N	48.5	Very low	43.3	Very low	165 Å²	165	144.5 Å²	144.5	88%	0.882	71%	0.711	S	S	*	*	S	Bend	trans	-156.5	21.9	172.5	-101.3	-5.8	0	0	0	113.6
9	D	35.3	Very low	44.5	Very low	81 Å²	81	142.1 Å²	142.1	43%	0.433	70%	0.698	S	S	.	*				39	105.6	78.7	-68.5	-33.8	0	0	0	112.5	M7 Y11	M7-D9 WeakPolarHBondContact CA-OD2 3.18Å; M7-D9 PolarHBondContact N-OD2 3.07Å; D9-Y11 PolarHBondContact O-N 2.84Å
10	E	35.3	Very low	45.7	Very low	140 Å²	140	137 Å²	137	65%	0.654	68%	0.677	S	S	*	*	S	Bend		85.2	16.3	123	-64.1	-178	170.7	0	0	116.5	D12	E10-D12 WeakPolarHBondContact CA-OD2 3.14Å; E10-D12 WeakPolarHBondContact CG-OD2 2.94Å; E10-D12 PolarHBondContact N-OD2 3.14Å
11	Y	42.8	Very low	46.9	Very low	230 Å²	230	133 Å²	133	90%	0.902	67%	0.665	S	S	*	*	S	Bend	trans	-141.3	53.5	144.7	-87.8	-86.2	0	0	0	109.8	D9	D9-Y11 PolarHBondContact O-N 2.84Å
12	D	41.1	Very low	48.2	Very low	76 Å²	76	128 Å²	128	41%	0.406	64%	0.637	S	S	.	*			cis	49.5	125.4	49.9	-74.9	-3	0	0	0	114.9	E10 Y14	E10-D12 WeakPolarHBondContact CA-OD2 3.14Å; E10-D12 WeakPolarHBondContact CG-OD2 2.94Å; E10-D12 PolarHBondContact N-OD2 3.14Å; D12-Y14 PolarHBondContact O-N 3.29Å
13	D	51.4	Low	49.8	Very low	89 Å²	89	128.1 Å²	128.1	48%	0.476	63%	0.626	S	S	.	*	S	Bend		73.3	5	126	-66.8	-3.7	0	0	0	117.1	D17	D13-D17 VanDerWaalsContact O-CB 3.24Å; D13-D17 WeakPolarHBondContact O-CB 3.21Å
14	Y	51.2	Low	52.1	Low	184 Å²	184	126.4 Å²	126.4	72%	0.722	61%	0.614	S	S	*	*	S	Bend	trans	-118.5	-38.4	161	-72.8	-73.1	0	0	0	114.6	D12 L18	D12-Y14 PolarHBondContact O-N 3.29Å; Y14-L18 WeakPolarHBondContact O-CB 3.05Å; Y14-L18 WeakPolarHBondContact O-CD1 3.34Å; Y14-L18 PolarHBondContact O-N 2.95Å
15	E	44.8	Very low	53.1	Low	172 Å²	172	123.9 Å²	123.9	80%	0.804	60%	0.6	S	S	*	*	H	α-helix	trans	-80.8	-45.3	179.6	-154.3	168.8	-146.1	0	0	112.4	D17 L18 E19	E15-D17 VanDerWaalsContact C-N 3.29Å; E15-D17 PolarHBondContact O-N 2.82Å; E15-L18 PolarHBondContact O-N 3.4Å; E15-E19 WeakPolarHBondContact O-CB 3.23Å; E15-E19 PolarHBondContact O-N 2.82Å
16	D	57.1	Low	54.8	Low	133 Å²	133	125 Å²	125	71%	0.711	60%	0.6	S	S	*	*	H	α-helix	trans	-69	-29.7	174.6	-110.2	-16.9	0	0	0	111.9	S20	D16-S20 WeakPolarHBondContact O-CA 3.48Å; D16-S20 WeakPolarHBondContact O-CB 2.96Å; D16-S20 PolarHBondContact O-N 3.23Å
17	D	59.9	Low	56.7	Low	89 Å²	89	121.8 Å²	121.8	48%	0.476	58%	0.583	S	S	.	*	H	α-helix	trans	-78.8	-34.1	176	-120.8	10.6	0	0	0	111.5	D13 E15 A21	D13-D17 VanDerWaalsContact O-CB 3.24Å; D13-D17 WeakPolarHBondContact O-CB 3.21Å; E15-D17 VanDerWaalsContact C-N 3.29Å; E15-D17 PolarHBondContact O-N 2.82Å; D17-A21 WeakPolarHBondContact O-CA 3.4Å; D17-A21 WeakPolarHBondContact O-CB 3.21Å; D17-A21 PolarHBondContact O-N 2.79Å
18	L	57	Low	58.6	Low	112 Å²	112	118.5 Å²	118.5	59%	0.586	57%	0.571	S	S	*	*	H	α-helix	trans	-68.4	-46.1	168.4	-103.1	139.6	0	0	0	111.8	Y14 E15 A21 F22	Y14-L18 WeakPolarHBondContact O-CB 3.05Å; Y14-L18 WeakPolarHBondContact O-CD1 3.34Å; Y14-L18 PolarHBondContact O-N 2.95Å; E15-L18 PolarHBondContact O-N 3.4Å; L18-A21 CarbonylContact O-C 3.43Å; L18-A21 PolarHBondContact O-N 2.76Å; L18-F22 WeakPolarHBondContact O-CB 3.23Å; L18-F22 PolarHBondContact O-N 2.77Å
19	E	66	Low	59.8	Low	99 Å²	99	116 Å²	116	46%	0.463	55%	0.554	S	S	.	*	H	α-helix	trans	-70.7	-36.3	179.7	-174.2	151.7	164.2	0	0	111	E15 F22 R23	E15-E19 WeakPolarHBondContact O-CB 3.23Å; E15-E19 PolarHBondContact O-N 2.82Å; E19-F22 PolarHBondContact O-N 2.79Å; E19-R23 HydrophobicContact CG-CG 4.32Å; E19-R23 VanDerWaalsContact O-CB 3.23Å; E19-R23 WeakPolarHBondContact O-CB 3.18Å; E19-R23 WeakPolarHBondContact O-CG 3.39Å; E19-R23 PolarHBondContact O-N 3.39Å; E19-R23 IonicContact OE1-CZ 3.43Å; E19-R23 IonicContact OE1-NE 3.14Å; E19-R23 PolarHBondContact OE1-NE 3.38Å; E19-R23 VanDerWaalsContact OE1-NE 3.14Å; E19-R23 IonicContact OE1-NH2 2.82Å; E19-R23 PolarHBondContact OE1-NH2 2.93Å
20	S	69.4	Low	61.7	Low	40 Å²	40	114.9 Å²	114.9	28%	0.28	55%	0.552	S	S	.	*	H	α-helix	trans	-65.5	-37.7	168.8	-177.9	0	0	0	0	111.6	D16 R24	D16-S20 WeakPolarHBondContact O-CA 3.48Å; D16-S20 WeakPolarHBondContact O-CB 2.96Å; D16-S20 PolarHBondContact O-N 3.23Å; S20-R24 WeakPolarHBondContact O-CB 3.42Å; S20-R24 VanDerWaalsContact O-CG 3.23Å; S20-R24 WeakPolarHBondContact O-CG 3.38Å; S20-R24 PolarHBondContact O-N 3.46Å
21	A	70.2	Confident	63.7	Low	52 Å²	52	112.4 Å²	112.4	43%	0.43	54%	0.543	S	S	.	.	H	α-helix	trans	-68.4	-39.3	175.1	0	0	0	0	0	111.2	D17 L18 R24 F25	D17-A21 WeakPolarHBondContact O-CA 3.4Å; D17-A21 WeakPolarHBondContact O-CB 3.21Å; D17-A21 PolarHBondContact O-N 2.79Å; L18-A21 CarbonylContact O-C 3.43Å; L18-A21 PolarHBondContact O-N 2.76Å; A21-R24 CarbonylContact O-C 3.56Å; A21-R24 PolarHBondContact O-N 2.69Å; A21-F25 VanDerWaalsContact O-CB 3.3Å; A21-F25 WeakPolarHBondContact O-CB 3.09Å; A21-F25 PolarHBondContact O-N 3.33Å
22	F	65.1	Low	65.2	Low	131 Å²	131	104.4 Å²	104.4	58%	0.575	52%	0.518	S	S	*	.	H	α-helix	trans	-69.1	-40.9	176.5	-133.7	-85.2	0	0	0	111.2	L18 E19 F25 I26	L18-F22 WeakPolarHBondContact O-CB 3.23Å; L18-F22 PolarHBondContact O-N 2.77Å; E19-F22 PolarHBondContact O-N 2.79Å; F22-F25 PolarHBondContact O-N 3.49Å; F22-I26 HydrophobicContact CD1-CD1 3.82Å; F22-I26 HydrophobicContact CD1-CG1 4.18Å; F22-I26 HydrophobicContact CE1-CD1 4.21Å; F22-I26 WeakPolarHBondContact O-CB 3.17Å; F22-I26 WeakPolarHBondContact O-CG1 3.24Å; F22-I26 PolarHBondContact O-N 2.87Å
23	R	71.2	Confident	67	Low	169 Å²	169	105.4 Å²	105.4	64%	0.638	52%	0.523	S	S	*	.	H	α-helix	trans	-67	-38.3	172.9	-74.8	176	-176.5	-126.4	4.1	111.6	E19 S27	E19-R23 HydrophobicContact CG-CG 4.32Å; E19-R23 VanDerWaalsContact O-CB 3.23Å; E19-R23 WeakPolarHBondContact O-CB 3.18Å; E19-R23 WeakPolarHBondContact O-CG 3.39Å; E19-R23 PolarHBondContact O-N 3.39Å; E19-R23 IonicContact OE1-CZ 3.43Å; E19-R23 IonicContact OE1-NE 3.14Å; E19-R23 PolarHBondContact OE1-NE 3.38Å; E19-R23 VanDerWaalsContact OE1-NE 3.14Å; E19-R23 IonicContact OE1-NH2 2.82Å; E19-R23 PolarHBondContact OE1-NH2 2.93Å; R23-S27 WeakPolarHBondContact O-CA 3.47Å; R23-S27 WeakPolarHBondContact O-CB 3.31Å; R23-S27 PolarHBondContact O-N 2.79Å
24	R	74.3	Confident	68.3	Low	166 Å²	166	107 Å²	107	63%	0.626	53%	0.527	S	S	*	.	H	α-helix	trans	-65	-40	170.4	-80.7	175.4	175.7	148	0.5	111	S20 A21 S27 V28	S20-R24 WeakPolarHBondContact O-CB 3.42Å; S20-R24 VanDerWaalsContact O-CG 3.23Å; S20-R24 WeakPolarHBondContact O-CG 3.38Å; S20-R24 PolarHBondContact O-N 3.46Å; A21-R24 CarbonylContact O-C 3.56Å; A21-R24 PolarHBondContact O-N 2.69Å; R24-S27 PolarHBondContact O-N 2.79Å; R24-V28 VanDerWaalsContact O-CB 3.31Å; R24-V28 WeakPolarHBondContact O-CB 3.19Å; R24-V28 WeakPolarHBondContact O-CG2 3.43Å; R24-V28 PolarHBondContact O-N 2.76Å
25	F	70.1	Confident	69.6	Low	133 Å²	133	104.8 Å²	104.8	58%	0.583	52%	0.524	S	S	*	.	H	α-helix	trans	-66.3	-48.9	177.4	-167.7	-89.9	0	0	0	111.3	A21 F22 S27 V28 E29	A21-F25 VanDerWaalsContact O-CB 3.3Å; A21-F25 WeakPolarHBondContact O-CB 3.09Å; A21-F25 PolarHBondContact O-N 3.33Å; F22-F25 PolarHBondContact O-N 3.49Å; F25-S27 VanDerWaalsContact C-N 3.3Å; F25-S27 PolarHBondContact O-N 2.77Å; F25-V28 CarbonylContact O-C 3.47Å; F25-V28 PolarHBondContact O-N 2.68Å; F25-E29 VanDerWaalsContact O-CB 3.31Å; F25-E29 WeakPolarHBondContact O-CB 3.35Å; F25-E29 PolarHBondContact O-N 2.76Å
26	I	72	Confident	71.2	Confident	92 Å²	92	102.9 Å²	102.9	47%	0.472	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-37.5	173.9	-69	176.3	0	0	0	111	F22 E29 S30	F22-I26 HydrophobicContact CD1-CD1 3.82Å; F22-I26 HydrophobicContact CD1-CG1 4.18Å; F22-I26 HydrophobicContact CE1-CD1 4.21Å; F22-I26 WeakPolarHBondContact O-CB 3.17Å; F22-I26 WeakPolarHBondContact O-CG1 3.24Å; F22-I26 PolarHBondContact O-N 2.87Å; I26-E29 PolarHBondContact O-N 3.02Å; I26-S30 VanDerWaalsContact O-CB 3.3Å; I26-S30 WeakPolarHBondContact O-CB 3.3Å; I26-S30 PolarHBondContact O-N 3.29Å; I26-S30 PolarHBondContact O-OG 2.74Å
27	S	74.3	Confident	72.4	Confident	53 Å²	53	100.4 Å²	100.4	37%	0.371	50%	0.501	S	S	.	.	H	α-helix	trans	-69.7	-36.6	175.6	-177.9	0	0	0	0	112	R23 R24 F25 S30 L31	R23-S27 WeakPolarHBondContact O-CA 3.47Å; R23-S27 WeakPolarHBondContact O-CB 3.31Å; R23-S27 PolarHBondContact O-N 2.79Å; R24-S27 PolarHBondContact O-N 2.79Å; F25-S27 VanDerWaalsContact C-N 3.3Å; F25-S27 PolarHBondContact O-N 2.77Å; S27-S30 WeakPolarHBondContact CA-OG 3.15Å; S27-S30 PolarHBondContact O-OG 3.42Å; S27-L31 WeakPolarHBondContact O-CB 3.42Å; S27-L31 WeakPolarHBondContact O-CD1 3.03Å; S27-L31 WeakPolarHBondContact O-CG 3.3Å; S27-L31 PolarHBondContact O-N 3.25Å
28	V	74.2	Confident	73.3	Confident	82 Å²	82	100 Å²	100	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-70.9	-37.9	174.3	168.8	0	0	0	0	109.4	R24 F25 L31 T32	R24-V28 VanDerWaalsContact O-CB 3.31Å; R24-V28 WeakPolarHBondContact O-CB 3.19Å; R24-V28 WeakPolarHBondContact O-CG2 3.43Å; R24-V28 PolarHBondContact O-N 2.76Å; F25-V28 CarbonylContact O-C 3.47Å; F25-V28 PolarHBondContact O-N 2.68Å; V28-L31 PolarHBondContact O-N 3.38Å; V28-T32 HydrophobicContact CG1-CG2 4.27Å; V28-T32 VanDerWaalsContact O-CB 3.25Å; V28-T32 WeakPolarHBondContact O-CB 3.25Å; V28-T32 WeakPolarHBondContact O-CG2 3.48Å; V28-T32 PolarHBondContact O-N 2.74Å; V28-T32 PolarHBondContact O-OG1 3.18Å
29	E	72.7	Confident	74.3	Confident	114 Å²	114	97 Å²	97	53%	0.533	49%	0.493	S	S	.	.	H	α-helix	trans	-68.1	-37.5	175.7	-157.3	171.8	-156.4	0	0	111.5	F25 I26 T32 L33	F25-E29 VanDerWaalsContact O-CB 3.31Å; F25-E29 WeakPolarHBondContact O-CB 3.35Å; F25-E29 PolarHBondContact O-N 2.76Å; I26-E29 PolarHBondContact O-N 3.02Å; E29-T32 VanDerWaalsContact CA-OG1 3.23Å; E29-T32 WeakPolarHBondContact CA-OG1 3.41Å; E29-T32 PolarHBondContact O-OG1 2.89Å; E29-L33 WeakPolarHBondContact O-CB 3.36Å; E29-L33 PolarHBondContact O-N 3.25Å
30	S	75	Confident	75.1	Confident	57 Å²	57	97.3 Å²	97.3	40%	0.399	50%	0.495	S	S	.	.	H	α-helix	trans	-72.6	-40.3	174.2	73.7	0	0	0	0	112.3	I26 S27 L33 E34	I26-S30 VanDerWaalsContact O-CB 3.3Å; I26-S30 WeakPolarHBondContact O-CB 3.3Å; I26-S30 PolarHBondContact O-N 3.29Å; I26-S30 PolarHBondContact O-OG 2.74Å; S27-S30 WeakPolarHBondContact CA-OG 3.15Å; S27-S30 PolarHBondContact O-OG 3.42Å; S30-L33 PolarHBondContact O-N 3.49Å; S30-E34 WeakPolarHBondContact O-CB 3.19Å; S30-E34 PolarHBondContact O-N 3.34Å
31	L	77.4	Confident	75.8	Confident	88 Å²	88	101.8 Å²	101.8	46%	0.461	51%	0.509	S	S	.	.	H	α-helix	trans	-66.3	-41.2	174.5	-76.2	166.8	0	0	0	111.2	S27 V28 L33 E34 E35	S27-L31 WeakPolarHBondContact O-CB 3.42Å; S27-L31 WeakPolarHBondContact O-CD1 3.03Å; S27-L31 WeakPolarHBondContact O-CG 3.3Å; S27-L31 PolarHBondContact O-N 3.25Å; V28-L31 PolarHBondContact O-N 3.38Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-E34 PolarHBondContact O-N 3.41Å; L31-E35 WeakPolarHBondContact O-CB 3.31Å; L31-E35 WeakPolarHBondContact O-CG 3.45Å; L31-E35 PolarHBondContact O-N 2.78Å
32	T	75.8	Confident	76.5	Confident	61 Å²	61	102.8 Å²	102.8	37%	0.374	51%	0.51	S	S	.	.	H	α-helix	trans	-68	-34.5	174.9	49.7	0	0	0	0	111.5	V28 E29 Q36	V28-T32 HydrophobicContact CG1-CG2 4.27Å; V28-T32 VanDerWaalsContact O-CB 3.25Å; V28-T32 WeakPolarHBondContact O-CB 3.25Å; V28-T32 WeakPolarHBondContact O-CG2 3.48Å; V28-T32 PolarHBondContact O-N 2.74Å; V28-T32 PolarHBondContact O-OG1 3.18Å; E29-T32 VanDerWaalsContact CA-OG1 3.23Å; E29-T32 WeakPolarHBondContact CA-OG1 3.41Å; E29-T32 PolarHBondContact O-OG1 2.89Å; T32-Q36 VanDerWaalsContact O-CB 3.31Å; T32-Q36 WeakPolarHBondContact O-CB 3.33Å; T32-Q36 VanDerWaalsContact O-CG 3.28Å; T32-Q36 WeakPolarHBondContact O-CG 3.33Å; T32-Q36 PolarHBondContact O-N 2.7Å
33	L	78.6	Confident	77.3	Confident	97 Å²	97	101.3 Å²	101.3	51%	0.508	51%	0.507	S	S	.	.	H	α-helix	trans	-67.4	-42.3	171.4	-171.8	70.9	0	0	0	111.8	E29 S30 L31 Q36 I37	E29-L33 WeakPolarHBondContact O-CB 3.36Å; E29-L33 PolarHBondContact O-N 3.25Å; S30-L33 PolarHBondContact O-N 3.49Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L33-Q36 PolarHBondContact O-N 3.43Å; L33-I37 HydrophobicContact CG-CD1 4.14Å; L33-I37 WeakPolarHBondContact O-CB 3.28Å; L33-I37 WeakPolarHBondContact O-CG1 3.47Å; L33-I37 PolarHBondContact O-N 3.3Å
34	E	78.1	Confident	78	Confident	122 Å²	122	95.9 Å²	95.9	57%	0.57	49%	0.491	S	S	*	.	H	α-helix	trans	-64.7	-41.9	174.3	-83.8	-169.2	156.4	0	0	111.9	S30 L31 I37 T38	S30-E34 WeakPolarHBondContact O-CB 3.19Å; S30-E34 PolarHBondContact O-N 3.34Å; L31-E34 PolarHBondContact O-N 3.41Å; E34-I37 PolarHBondContact O-N 3.47Å; E34-T38 VanDerWaalsContact O-CB 3.3Å; E34-T38 WeakPolarHBondContact O-CB 3.31Å; E34-T38 PolarHBondContact O-N 2.82Å; E34-T38 PolarHBondContact O-OG1 2.84Å
35	E	79.3	Confident	78.4	Confident	139 Å²	139	97.6 Å²	97.6	65%	0.65	50%	0.497	S	S	*	.	H	α-helix	trans	-63.1	-41.6	173.1	-79.7	-173.3	160.2	0	0	111.1	L31 T38 A39	L31-E35 WeakPolarHBondContact O-CB 3.31Å; L31-E35 WeakPolarHBondContact O-CG 3.45Å; L31-E35 PolarHBondContact O-N 2.78Å; E35-T38 PolarHBondContact O-N 2.88Å; E35-A39 WeakPolarHBondContact O-CB 3.3Å; E35-A39 PolarHBondContact O-N 3.48Å
36	Q	77.9	Confident	79.1	Confident	131 Å²	131	95.6 Å²	95.6	61%	0.612	49%	0.492	S	S	*	.	H	α-helix	trans	-62.9	-43.2	173.5	-82.6	-177.1	-1.9	0	0	112	T32 L33 T38 A39 Q40	T32-Q36 VanDerWaalsContact O-CB 3.31Å; T32-Q36 WeakPolarHBondContact O-CB 3.33Å; T32-Q36 VanDerWaalsContact O-CG 3.28Å; T32-Q36 WeakPolarHBondContact O-CG 3.33Å; T32-Q36 PolarHBondContact O-N 2.7Å; L33-Q36 PolarHBondContact O-N 3.43Å; Q36-T38 VanDerWaalsContact C-N 3.32Å; Q36-T38 PolarHBondContact O-N 3.4Å; Q36-A39 PolarHBondContact O-N 2.82Å; Q36-Q40 VanDerWaalsContact O-CB 3.24Å; Q36-Q40 WeakPolarHBondContact O-CB 3.24Å; Q36-Q40 PolarHBondContact O-N 2.75Å
37	I	81.5	Confident	79.7	Confident	81 Å²	81	98.6 Å²	98.6	42%	0.415	50%	0.497	S	S	.	.	H	α-helix	trans	-63.9	-40.2	175.9	-71	164.9	0	0	0	110.5	L33 E34 Q40 K41	L33-I37 HydrophobicContact CG-CD1 4.14Å; L33-I37 WeakPolarHBondContact O-CB 3.28Å; L33-I37 WeakPolarHBondContact O-CG1 3.47Å; L33-I37 PolarHBondContact O-N 3.3Å; E34-I37 PolarHBondContact O-N 3.47Å; I37-Q40 PolarHBondContact O-N 3.48Å; I37-K41 HydrophobicContact CG2-CD 4.33Å; I37-K41 WeakPolarHBondContact O-CB 3.22Å; I37-K41 WeakPolarHBondContact O-CG 3.23Å; I37-K41 PolarHBondContact O-N 2.83Å
38	T	80.2	Confident	80.4	Confident	81 Å²	81	99.9 Å²	99.9	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-70.5	-42.7	179.7	-53.9	0	0	0	0	110.8	E34 E35 Q36 Q40 K41 T42	E34-T38 VanDerWaalsContact O-CB 3.3Å; E34-T38 WeakPolarHBondContact O-CB 3.31Å; E34-T38 PolarHBondContact O-N 2.82Å; E34-T38 PolarHBondContact O-OG1 2.84Å; E35-T38 PolarHBondContact O-N 2.88Å; Q36-T38 VanDerWaalsContact C-N 3.32Å; Q36-T38 PolarHBondContact O-N 3.4Å; T38-Q40 VanDerWaalsContact C-N 3.33Å; T38-Q40 PolarHBondContact O-N 3.32Å; T38-K41 PolarHBondContact O-N 2.78Å; T38-T42 WeakPolarHBondContact O-CB 3.21Å; T38-T42 PolarHBondContact O-N 2.81Å; T38-T42 PolarHBondContact O-OG1 3.46Å
39	A	76.8	Confident	81	Confident	49 Å²	49	100 Å²	100	41%	0.405	50%	0.498	S	S	.	.	H	α-helix	trans	-60.5	-42.3	171.9	0	0	0	0	0	111	E35 Q36 T42 L43	E35-A39 WeakPolarHBondContact O-CB 3.3Å; E35-A39 PolarHBondContact O-N 3.48Å; Q36-A39 PolarHBondContact O-N 2.82Å; A39-T42 PolarHBondContact O-N 2.9Å; A39-L43 WeakPolarHBondContact O-CB 3.35Å; A39-L43 PolarHBondContact O-N 2.68Å
40	Q	83.5	Confident	81.5	Confident	105 Å²	105	99.2 Å²	99.2	49%	0.491	50%	0.497	S	S	.	.	H	α-helix	trans	-66.1	-41.4	177.2	-167	64.9	25.3	0	0	112.2	Q36 I37 T38 T42 L43 N44	Q36-Q40 VanDerWaalsContact O-CB 3.24Å; Q36-Q40 WeakPolarHBondContact O-CB 3.24Å; Q36-Q40 PolarHBondContact O-N 2.75Å; I37-Q40 PolarHBondContact O-N 3.48Å; T38-Q40 VanDerWaalsContact C-N 3.33Å; T38-Q40 PolarHBondContact O-N 3.32Å; Q40-T42 VanDerWaalsContact C-N 3.31Å; Q40-T42 PolarHBondContact O-N 3.34Å; Q40-L43 PolarHBondContact O-N 3.2Å; Q40-N44 WeakPolarHBondContact O-CB 3.42Å; Q40-N44 PolarHBondContact O-N 3.45Å; Q40-N44 PolarHBondContact O-ND2 2.89Å
41	K	84.5	Confident	82.1	Confident	135 Å²	135	98.9 Å²	98.9	59%	0.587	50%	0.498	S	S	*	.	H	α-helix	trans	-63.1	-39	173.1	-78.1	175.7	-179.2	173.1	0	111.6	I37 T38 N44 R45	I37-K41 HydrophobicContact CG2-CD 4.33Å; I37-K41 WeakPolarHBondContact O-CB 3.22Å; I37-K41 WeakPolarHBondContact O-CG 3.23Å; I37-K41 PolarHBondContact O-N 2.83Å; T38-K41 PolarHBondContact O-N 2.78Å; K41-N44 PolarHBondContact O-N 3.34Å; K41-R45 PolarHBondContact O-N 2.92Å
42	T	83.2	Confident	82.5	Confident	73 Å²	73	98.1 Å²	98.1	45%	0.448	50%	0.5	S	S	.	.	H	α-helix	trans	-68.9	-43.9	178	-50.6	0	0	0	0	110.8	T38 A39 Q40 N44 R45 I46	T38-T42 WeakPolarHBondContact O-CB 3.21Å; T38-T42 PolarHBondContact O-N 2.81Å; T38-T42 PolarHBondContact O-OG1 3.46Å; A39-T42 PolarHBondContact O-N 2.9Å; Q40-T42 VanDerWaalsContact C-N 3.31Å; Q40-T42 PolarHBondContact O-N 3.34Å; T42-N44 VanDerWaalsContact C-N 3.34Å; T42-N44 PolarHBondContact O-N 3.01Å; T42-R45 PolarHBondContact O-N 2.83Å; T42-I46 HydrophobicContact CG2-CD1 4.07Å; T42-I46 VanDerWaalsContact O-CG1 3.28Å; T42-I46 WeakPolarHBondContact O-CG1 3.28Å; T42-I46 PolarHBondContact O-N 3.39Å
43	L	81.7	Confident	83	Confident	99 Å²	99	102.8 Å²	102.8	52%	0.518	51%	0.511	S	S	.	.	H	α-helix	trans	-58.6	-43	172	-92.2	161.8	0	0	0	112	A39 Q40 I46 R47	A39-L43 WeakPolarHBondContact O-CB 3.35Å; A39-L43 PolarHBondContact O-N 2.68Å; Q40-L43 PolarHBondContact O-N 3.2Å; L43-I46 PolarHBondContact O-N 2.81Å; L43-R47 VanDerWaalsContact O-CB 3.25Å; L43-R47 WeakPolarHBondContact O-CB 3.39Å; L43-R47 PolarHBondContact O-N 3.48Å
44	N	86.2	Confident	83.3	Confident	55 Å²	55	103.1 Å²	103.1	29%	0.294	51%	0.512	S	S	.	.	H	α-helix	trans	-64	-44.4	175.9	-73.6	-20.7	0	0	0	111.5	Q40 K41 T42 I46 R47 D48	Q40-N44 WeakPolarHBondContact O-CB 3.42Å; Q40-N44 PolarHBondContact O-N 3.45Å; Q40-N44 PolarHBondContact O-ND2 2.89Å; K41-N44 PolarHBondContact O-N 3.34Å; T42-N44 VanDerWaalsContact C-N 3.34Å; T42-N44 PolarHBondContact O-N 3.01Å; N44-I46 PolarHBondContact O-N 3.25Å; N44-R47 WeakPolarHBondContact O-CB 3.4Å; N44-R47 PolarHBondContact O-N 3.45Å; N44-D48 WeakPolarHBondContact O-CB 3.25Å; N44-D48 PolarHBondContact O-N 3.25Å
45	R	84.4	Confident	83.8	Confident	202 Å²	202	101.6 Å²	101.6	76%	0.762	51%	0.511	S	S	*	.	H	α-helix	trans	-60.7	-43.9	174.4	-85.1	-176.6	174.6	170.6	-2	112.5	K41 T42 R47 D48 D49	K41-R45 PolarHBondContact O-N 2.92Å; T42-R45 PolarHBondContact O-N 2.83Å; R45-R47 VanDerWaalsContact C-N 3.33Å; R45-D48 PolarHBondContact O-N 3.37Å; R45-D49 WeakPolarHBondContact O-CB 3.43Å; R45-D49 PolarHBondContact O-N 2.78Å
46	I	83.4	Confident	84.1	Confident	91 Å²	91	97.5 Å²	97.5	47%	0.467	50%	0.501	S	S	.	.	H	α-helix	trans	-63.7	-42.2	176.8	-69.1	167	0	0	0	110.2	T42 L43 N44 D49 L50	T42-I46 HydrophobicContact CG2-CD1 4.07Å; T42-I46 VanDerWaalsContact O-CG1 3.28Å; T42-I46 WeakPolarHBondContact O-CG1 3.28Å; T42-I46 PolarHBondContact O-N 3.39Å; L43-I46 PolarHBondContact O-N 2.81Å; N44-I46 PolarHBondContact O-N 3.25Å; I46-D49 PolarHBondContact O-N 3.39Å; I46-L50 HydrophobicContact CG2-CD1 3.79Å; I46-L50 HydrophobicContact CG2-CG 4.3Å; I46-L50 VanDerWaalsContact O-CB 3.28Å; I46-L50 WeakPolarHBondContact O-CB 3.24Å; I46-L50 VanDerWaalsContact O-CG 3.24Å; I46-L50 WeakPolarHBondContact O-CG 3.28Å; I46-L50 PolarHBondContact O-N 2.87Å
47	R	84.8	Confident	84.4	Confident	155 Å²	155	96 Å²	96	59%	0.585	50%	0.497	S	S	*	.	H	α-helix	trans	-61.7	-44	176.5	-173.1	-170.7	71.7	176.6	1.2	111.5	L43 N44 R45 L50 A51	L43-R47 VanDerWaalsContact O-CB 3.25Å; L43-R47 WeakPolarHBondContact O-CB 3.39Å; L43-R47 PolarHBondContact O-N 3.48Å; N44-R47 WeakPolarHBondContact O-CB 3.4Å; N44-R47 PolarHBondContact O-N 3.45Å; R45-R47 VanDerWaalsContact C-N 3.33Å; R47-L50 PolarHBondContact O-N 2.87Å; R47-A51 WeakPolarHBondContact O-CB 3.47Å; R47-A51 PolarHBondContact O-N 3.4Å
48	D	88.5	Confident	84.7	Confident	81 Å²	81	95.9 Å²	95.9	43%	0.433	50%	0.497	S	S	.	.	H	α-helix	trans	-71.6	-37.7	-179	-62.7	-15.2	0	0	0	111.1	N44 R45 A51 S52	N44-D48 WeakPolarHBondContact O-CB 3.25Å; N44-D48 PolarHBondContact O-N 3.25Å; R45-D48 PolarHBondContact O-N 3.37Å; D48-A51 PolarHBondContact O-N 2.86Å; D48-S52 WeakPolarHBondContact O-CB 3.32Å; D48-S52 PolarHBondContact O-N 2.96Å; D48-S52 PolarHBondContact O-OG 3.45Å
49	D	87.2	Confident	84.9	Confident	85 Å²	85	95 Å²	95	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-64	-45	171.4	-175.7	65.9	0	0	0	111.6	R45 I46 A51 S52 R53	R45-D49 WeakPolarHBondContact O-CB 3.43Å; R45-D49 PolarHBondContact O-N 2.78Å; I46-D49 PolarHBondContact O-N 3.39Å; D49-A51 VanDerWaalsContact C-N 3.34Å; D49-A51 PolarHBondContact O-N 3.44Å; D49-S52 WeakPolarHBondContact O-CB 3.44Å; D49-S52 PolarHBondContact O-N 3.38Å; D49-R53 WeakPolarHBondContact O-CB 3.35Å; D49-R53 WeakPolarHBondContact O-CG 3.44Å; D49-R53 PolarHBondContact O-N 2.9Å; D49-R53 WeakPolarHBondContact OD2-CD 3.46Å
50	L	84	Confident	85.3	Confident	96 Å²	96	99.1 Å²	99.1	50%	0.503	50%	0.503	S	S	.	.	H	α-helix	trans	-62.6	-39.8	174.9	-76.2	171.4	0	0	0	111.7	I46 R47 S52 R53 L54	I46-L50 HydrophobicContact CG2-CD1 3.79Å; I46-L50 HydrophobicContact CG2-CG 4.3Å; I46-L50 VanDerWaalsContact O-CB 3.28Å; I46-L50 WeakPolarHBondContact O-CB 3.24Å; I46-L50 VanDerWaalsContact O-CG 3.24Å; I46-L50 WeakPolarHBondContact O-CG 3.28Å; I46-L50 PolarHBondContact O-N 2.87Å; R47-L50 PolarHBondContact O-N 2.87Å; L50-S52 VanDerWaalsContact C-N 3.34Å; L50-R53 PolarHBondContact O-N 3.18Å; L50-L54 WeakPolarHBondContact O-CB 3.33Å; L50-L54 PolarHBondContact O-N 3.42Å
51	A	87.7	Confident	85.3	Confident	51 Å²	51	97.3 Å²	97.3	42%	0.421	50%	0.496	S	S	.	.	H	α-helix	trans	-64.5	-39.5	174.7	0	0	0	0	0	111.7	R47 D48 D49 L54 T55	R47-A51 WeakPolarHBondContact O-CB 3.47Å; R47-A51 PolarHBondContact O-N 3.4Å; D48-A51 PolarHBondContact O-N 2.86Å; D49-A51 VanDerWaalsContact C-N 3.34Å; D49-A51 PolarHBondContact O-N 3.44Å; A51-L54 PolarHBondContact O-N 2.75Å; A51-T55 WeakPolarHBondContact O-CB 3.36Å; A51-T55 WeakPolarHBondContact O-CG2 3.4Å; A51-T55 PolarHBondContact O-N 2.75Å; A51-T55 PolarHBondContact O-OG1 3.5Å
52	S	85.2	Confident	85.3	Confident	71 Å²	71	97.3 Å²	97.3	50%	0.497	50%	0.498	S	S	.	.	H	α-helix	trans	-64.9	-42.5	174.9	-53.4	0	0	0	0	111.5	D48 D49 L50 T55 A56	D48-S52 WeakPolarHBondContact O-CB 3.32Å; D48-S52 PolarHBondContact O-N 2.96Å; D48-S52 PolarHBondContact O-OG 3.45Å; D49-S52 WeakPolarHBondContact O-CB 3.44Å; D49-S52 PolarHBondContact O-N 3.38Å; L50-S52 VanDerWaalsContact C-N 3.34Å; S52-T55 WeakPolarHBondContact CA-OG1 3.28Å; S52-T55 PolarHBondContact O-OG1 2.85Å; S52-A56 VanDerWaalsContact O-CB 3.28Å; S52-A56 WeakPolarHBondContact O-CB 3.17Å; S52-A56 PolarHBondContact O-N 3.36Å
53	R	86	Confident	85.2	Confident	160 Å²	160	100.9 Å²	100.9	60%	0.604	51%	0.508	S	S	*	.	H	α-helix	trans	-70.1	-37.3	175.9	-71.6	175.7	67.8	-176.7	1.2	111.9	D49 L50 A56 L57	D49-R53 WeakPolarHBondContact O-CB 3.35Å; D49-R53 WeakPolarHBondContact O-CG 3.44Å; D49-R53 PolarHBondContact O-N 2.9Å; D49-R53 WeakPolarHBondContact OD2-CD 3.46Å; L50-R53 PolarHBondContact O-N 3.18Å; R53-A56 PolarHBondContact O-N 2.8Å; R53-L57 WeakPolarHBondContact O-CB 3.29Å; R53-L57 PolarHBondContact O-N 2.89Å
54	L	85.3	Confident	85.1	Confident	103 Å²	103	100.6 Å²	100.6	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-67.5	-40.2	176.5	-162.4	92.8	0	0	0	110.7	L50 A51 L57 N58	L50-L54 WeakPolarHBondContact O-CB 3.33Å; L50-L54 PolarHBondContact O-N 3.42Å; A51-L54 PolarHBondContact O-N 2.75Å; L54-L57 PolarHBondContact O-N 2.78Å; L54-N58 WeakPolarHBondContact O-CB 3.46Å; L54-N58 PolarHBondContact O-N 2.85Å; L54-N58 PolarHBondContact O-ND2 2.69Å
55	T	88	Confident	84.7	Confident	90 Å²	90	103.1 Å²	103.1	55%	0.552	52%	0.516	S	S	*	.	H	α-helix	trans	-69	-40.7	174	44.3	0	0	0	0	111.9	A51 S52 L57 N58 S59	A51-T55 WeakPolarHBondContact O-CB 3.36Å; A51-T55 WeakPolarHBondContact O-CG2 3.4Å; A51-T55 PolarHBondContact O-N 2.75Å; A51-T55 PolarHBondContact O-OG1 3.5Å; S52-T55 WeakPolarHBondContact CA-OG1 3.28Å; S52-T55 PolarHBondContact O-OG1 2.85Å; T55-L57 VanDerWaalsContact C-N 3.34Å; T55-L57 PolarHBondContact O-N 3.46Å; T55-N58 PolarHBondContact O-N 3.36Å; T55-S59 WeakPolarHBondContact O-CB 3.35Å; T55-S59 PolarHBondContact O-N 2.8Å; T55-S59 PolarHBondContact O-OG 3.37Å
56	A	86	Confident	84.3	Confident	54 Å²	54	99.4 Å²	99.4	45%	0.446	51%	0.509	S	S	.	.	H	α-helix	trans	-62	-41.1	171.1	0	0	0	0	0	111.9	S52 R53 S59 K60	S52-A56 VanDerWaalsContact O-CB 3.28Å; S52-A56 WeakPolarHBondContact O-CB 3.17Å; S52-A56 PolarHBondContact O-N 3.36Å; R53-A56 PolarHBondContact O-N 2.8Å; A56-S59 PolarHBondContact O-OG 2.89Å; A56-K60 VanDerWaalsContact O-CB 3.3Å; A56-K60 WeakPolarHBondContact O-CB 3.2Å; A56-K60 PolarHBondContact O-N 3.48Å
57	L	84.3	Confident	83.8	Confident	99 Å²	99	100 Å²	100	52%	0.518	51%	0.51	S	S	.	.	H	α-helix	trans	-69.6	-41.8	177.2	-162.7	78.6	0	0	0	110.9	R53 L54 T55 K60 I61	R53-L57 WeakPolarHBondContact O-CB 3.29Å; R53-L57 PolarHBondContact O-N 2.89Å; L54-L57 PolarHBondContact O-N 2.78Å; T55-L57 VanDerWaalsContact C-N 3.34Å; T55-L57 PolarHBondContact O-N 3.46Å; L57-K60 CarbonylContact O-C 3.5Å; L57-K60 WeakPolarHBondContact O-CA 3.41Å; L57-K60 WeakPolarHBondContact O-CB 3.26Å; L57-K60 PolarHBondContact O-N 3.13Å; L57-K60 VanDerWaalsContact O-N 3.13Å; L57-I61 HydrophobicContact CD2-CD1 4.24Å; L57-I61 HydrophobicContact CG-CD1 4.09Å; L57-I61 WeakPolarHBondContact O-CB 3.42Å; L57-I61 VanDerWaalsContact O-CG1 3.26Å; L57-I61 WeakPolarHBondContact O-CG1 3.3Å; L57-I61 PolarHBondContact O-N 2.74Å
58	N	87	Confident	83.1	Confident	78 Å²	78	99.9 Å²	99.9	42%	0.417	51%	0.509	S	S	.	.	H	α-helix	trans	-65.5	-39.5	176.4	-78.5	-18.4	0	0	0	111.6	L54 T55 K60 I61 Q62	L54-N58 WeakPolarHBondContact O-CB 3.46Å; L54-N58 PolarHBondContact O-N 2.85Å; L54-N58 PolarHBondContact O-ND2 2.69Å; T55-N58 PolarHBondContact O-N 3.36Å; N58-K60 VanDerWaalsContact C-N 3.29Å; N58-K60 PolarHBondContact O-N 2.94Å; N58-I61 PolarHBondContact O-N 3.41Å; N58-Q62 WeakPolarHBondContact O-CB 3.2Å; N58-Q62 WeakPolarHBondContact O-CG 3.49Å; N58-Q62 PolarHBondContact O-N 2.84Å
59	S	84.8	Confident	82	Confident	62 Å²	62	99.9 Å²	99.9	43%	0.434	51%	0.512	S	S	.	.	H	α-helix	trans	-67	-33.2	172.2	66.5	0	0	0	0	111.8	T55 A56 K63	T55-S59 WeakPolarHBondContact O-CB 3.35Å; T55-S59 PolarHBondContact O-N 2.8Å; T55-S59 PolarHBondContact O-OG 3.37Å; A56-S59 PolarHBondContact O-OG 2.89Å; S59-K63 WeakPolarHBondContact O-CB 3.47Å; S59-K63 WeakPolarHBondContact O-CG 3.19Å; S59-K63 PolarHBondContact O-N 3.39Å
60	K	85.4	Confident	80.9	Confident	137 Å²	137	102 Å²	102	60%	0.596	52%	0.519	S	S	*	.	H	α-helix	trans	-70.9	-40.2	173.5	-160.2	173.5	-173.1	179.2	0	111.6	A56 L57 N58 K63 L64	A56-K60 VanDerWaalsContact O-CB 3.3Å; A56-K60 WeakPolarHBondContact O-CB 3.2Å; A56-K60 PolarHBondContact O-N 3.48Å; L57-K60 CarbonylContact O-C 3.5Å; L57-K60 WeakPolarHBondContact O-CA 3.41Å; L57-K60 WeakPolarHBondContact O-CB 3.26Å; L57-K60 PolarHBondContact O-N 3.13Å; L57-K60 VanDerWaalsContact O-N 3.13Å; N58-K60 VanDerWaalsContact C-N 3.29Å; N58-K60 PolarHBondContact O-N 2.94Å; K60-K63 PolarHBondContact O-N 2.87Å; K60-L64 HydrophobicContact CG-CD1 4.32Å; K60-L64 VanDerWaalsContact O-CB 3.29Å; K60-L64 WeakPolarHBondContact O-CB 3.42Å; K60-L64 WeakPolarHBondContact O-CG 3.26Å; K60-L64 PolarHBondContact O-N 3.41Å
61	I	83	Confident	79.6	Confident	66 Å²	66	103.2 Å²	103.2	34%	0.338	53%	0.526	S	S	.	.	H	α-helix	trans	-64.6	-47.8	173.9	-72.4	166.7	0	0	0	109.2	L57 N58 K63 L64 E65	L57-I61 HydrophobicContact CD2-CD1 4.24Å; L57-I61 HydrophobicContact CG-CD1 4.09Å; L57-I61 WeakPolarHBondContact O-CB 3.42Å; L57-I61 VanDerWaalsContact O-CG1 3.26Å; L57-I61 WeakPolarHBondContact O-CG1 3.3Å; L57-I61 PolarHBondContact O-N 2.74Å; N58-I61 PolarHBondContact O-N 3.41Å; I61-K63 VanDerWaalsContact C-N 3.33Å; I61-K63 PolarHBondContact O-N 2.82Å; I61-L64 CarbonylContact O-C 3.59Å; I61-L64 WeakPolarHBondContact O-CA 3.36Å; I61-L64 WeakPolarHBondContact O-CB 3.47Å; I61-L64 PolarHBondContact O-N 3.34Å; I61-E65 HydrophobicContact CG2-CG 4.1Å; I61-E65 WeakPolarHBondContact O-CB 3.18Å; I61-E65 WeakPolarHBondContact O-CG 3.41Å; I61-E65 PolarHBondContact O-N 3.45Å
62	Q	84.1	Confident	78	Confident	135 Å²	135	106.7 Å²	106.7	63%	0.631	53%	0.533	S	S	*	.	H	α-helix	trans	-60.6	-41.6	174.6	-80.6	-174.8	-17	0	0	111.8	N58 L64 E65 M66	N58-Q62 WeakPolarHBondContact O-CB 3.2Å; N58-Q62 WeakPolarHBondContact O-CG 3.49Å; N58-Q62 PolarHBondContact O-N 2.84Å; Q62-L64 VanDerWaalsContact C-N 3.32Å; Q62-L64 PolarHBondContact O-N 2.81Å; Q62-E65 PolarHBondContact O-N 3.05Å; Q62-M66 WeakPolarHBondContact O-CB 3.1Å; Q62-M66 PolarHBondContact O-N 2.79Å
63	K	82.1	Confident	76.2	Confident	149 Å²	149	111.4 Å²	111.4	65%	0.648	55%	0.545	S	S	*	.	H	α-helix	trans	-60.4	-43.6	171.8	-89.5	-176.2	174.6	-180	0	111.5	S59 K60 I61 M66 Q67	S59-K63 WeakPolarHBondContact O-CB 3.47Å; S59-K63 WeakPolarHBondContact O-CG 3.19Å; S59-K63 PolarHBondContact O-N 3.39Å; K60-K63 PolarHBondContact O-N 2.87Å; I61-K63 VanDerWaalsContact C-N 3.33Å; I61-K63 PolarHBondContact O-N 2.82Å; K63-M66 PolarHBondContact O-N 3.29Å; K63-Q67 WeakPolarHBondContact O-CB 3.46Å; K63-Q67 VanDerWaalsContact O-CG 3.26Å; K63-Q67 WeakPolarHBondContact O-CG 3.33Å; K63-Q67 PolarHBondContact O-N 2.7Å
64	L	79.9	Confident	74.2	Confident	92 Å²	92	107 Å²	107	48%	0.482	54%	0.537	S	S	.	.	H	α-helix	trans	-70.1	-33.2	178.6	-74.7	168	0	0	0	112.3	K60 I61 Q62 R68	K60-L64 HydrophobicContact CG-CD1 4.32Å; K60-L64 VanDerWaalsContact O-CB 3.29Å; K60-L64 WeakPolarHBondContact O-CB 3.42Å; K60-L64 WeakPolarHBondContact O-CG 3.26Å; K60-L64 PolarHBondContact O-N 3.41Å; I61-L64 CarbonylContact O-C 3.59Å; I61-L64 WeakPolarHBondContact O-CA 3.36Å; I61-L64 WeakPolarHBondContact O-CB 3.47Å; I61-L64 PolarHBondContact O-N 3.34Å; Q62-L64 VanDerWaalsContact C-N 3.32Å; Q62-L64 PolarHBondContact O-N 2.81Å; L64-R68 WeakPolarHBondContact O-CA 3.25Å; L64-R68 WeakPolarHBondContact O-CB 3.38Å; L64-R68 PolarHBondContact O-N 3.49Å
65	E	78.4	Confident	72.5	Confident	109 Å²	109	104.1 Å²	104.1	51%	0.509	52%	0.524	S	S	.	.	H	α-helix	trans	-73.8	-37.2	174.8	-77.8	179.1	161.8	0	0	110.7	I61 Q62 R68 T69	I61-E65 HydrophobicContact CG2-CG 4.1Å; I61-E65 WeakPolarHBondContact O-CB 3.18Å; I61-E65 WeakPolarHBondContact O-CG 3.41Å; I61-E65 PolarHBondContact O-N 3.45Å; Q62-E65 PolarHBondContact O-N 3.05Å; E65-R68 CarbonylContact O-C 3.47Å; E65-R68 PolarHBondContact O-N 2.76Å; E65-T69 WeakPolarHBondContact O-CB 3.35Å; E65-T69 WeakPolarHBondContact O-CG2 3.35Å; E65-T69 PolarHBondContact O-N 2.81Å; E65-T69 PolarHBondContact O-OG1 2.69Å
66	M	75.5	Confident	71	Confident	123 Å²	123	105 Å²	105	61%	0.606	53%	0.532	S	S	*	.	H	α-helix	trans	-67.4	-41.4	172.3	-159.3	177.9	-176.6	0	0	110.4	Q62 K63 T69 Q70	Q62-M66 WeakPolarHBondContact O-CB 3.1Å; Q62-M66 PolarHBondContact O-N 2.79Å; K63-M66 PolarHBondContact O-N 3.29Å; M66-T69 WeakPolarHBondContact CA-OG1 3.33Å; M66-T69 PolarHBondContact O-OG1 2.66Å; M66-T69 VanDerWaalsContact O-OG1 3.05Å; M66-Q70 WeakPolarHBondContact O-CB 3.35Å; M66-Q70 VanDerWaalsContact O-CG 3.25Å; M66-Q70 WeakPolarHBondContact O-CG 3.33Å; M66-Q70 PolarHBondContact O-N 3.22Å
67	Q	72.8	Confident	69.4	Low	105 Å²	105	109.5 Å²	109.5	49%	0.491	54%	0.544	S	S	.	.	H	α-helix	trans	-64.1	-42.4	170.3	-77.7	178.1	-24.6	0	0	111.4	K63 Q70 L71	K63-Q67 WeakPolarHBondContact O-CB 3.46Å; K63-Q67 VanDerWaalsContact O-CG 3.26Å; K63-Q67 WeakPolarHBondContact O-CG 3.33Å; K63-Q67 PolarHBondContact O-N 2.7Å; Q67-Q70 CarbonylContact O-C 3.58Å; Q67-Q70 WeakPolarHBondContact O-CB 3.46Å; Q67-Q70 PolarHBondContact O-N 3.37Å; Q67-L71 WeakPolarHBondContact O-CB 3.19Å; Q67-L71 WeakPolarHBondContact O-CD1 3.33Å; Q67-L71 WeakPolarHBondContact O-CG 3.16Å; Q67-L71 PolarHBondContact O-N 3.06Å
68	R	69.3	Low	67.6	Low	151 Å²	151	109.4 Å²	109.4	57%	0.57	54%	0.543	S	S	*	.	H	α-helix	trans	-66.1	-39.2	178.3	-177	-177.6	175.7	-172.1	1.8	111.6	L64 E65 L71 Q72	L64-R68 WeakPolarHBondContact O-CA 3.25Å; L64-R68 WeakPolarHBondContact O-CB 3.38Å; L64-R68 PolarHBondContact O-N 3.49Å; E65-R68 CarbonylContact O-C 3.47Å; E65-R68 PolarHBondContact O-N 2.76Å; R68-L71 CarbonylContact O-C 3.58Å; R68-L71 PolarHBondContact O-N 2.93Å; R68-Q72 HydrophobicContact CG-CG 4.19Å; R68-Q72 WeakPolarHBondContact O-CB 3.34Å; R68-Q72 WeakPolarHBondContact O-CG 3.49Å; R68-Q72 PolarHBondContact O-N 3.18Å
69	T	66.7	Low	66	Low	81 Å²	81	110.1 Å²	110.1	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-72.1	-32.4	175.3	43.1	0	0	0	0	111.8	E65 M66 L71 K73	E65-T69 WeakPolarHBondContact O-CB 3.35Å; E65-T69 WeakPolarHBondContact O-CG2 3.35Å; E65-T69 PolarHBondContact O-N 2.81Å; E65-T69 PolarHBondContact O-OG1 2.69Å; M66-T69 WeakPolarHBondContact CA-OG1 3.33Å; M66-T69 PolarHBondContact O-OG1 2.66Å; M66-T69 VanDerWaalsContact O-OG1 3.05Å; T69-L71 VanDerWaalsContact C-N 3.31Å; T69-K73 PolarHBondContact O-N 2.83Å
70	Q	62.6	Low	64.7	Low	129 Å²	129	109.7 Å²	109.7	60%	0.603	54%	0.544	S	S	*	.	H	α-helix	trans	-65.5	-32.8	167	-75.2	177.6	6.3	0	0	112.5	M66 Q67 K73	M66-Q70 WeakPolarHBondContact O-CB 3.35Å; M66-Q70 VanDerWaalsContact O-CG 3.25Å; M66-Q70 WeakPolarHBondContact O-CG 3.33Å; M66-Q70 PolarHBondContact O-N 3.22Å; Q67-Q70 CarbonylContact O-C 3.58Å; Q67-Q70 WeakPolarHBondContact O-CB 3.46Å; Q67-Q70 PolarHBondContact O-N 3.37Å; Q70-K73 VanDerWaalsContact O-O 3.11Å
71	L	58.3	Low	63.3	Low	123 Å²	123	106 Å²	106	64%	0.644	54%	0.535	S	S	*	.	H	α-helix	trans	-84.1	-29	176.8	-71.2	164.5	0	0	0	113.4	Q67 R68 T69	Q67-L71 WeakPolarHBondContact O-CB 3.19Å; Q67-L71 WeakPolarHBondContact O-CD1 3.33Å; Q67-L71 WeakPolarHBondContact O-CG 3.16Å; Q67-L71 PolarHBondContact O-N 3.06Å; R68-L71 CarbonylContact O-C 3.58Å; R68-L71 PolarHBondContact O-N 2.93Å; T69-L71 VanDerWaalsContact C-N 3.31Å
72	Q	52.8	Low	62.1	Low	124 Å²	124	105 Å²	105	58%	0.579	54%	0.537	S	S	*	.	H	α-helix	trans	-84.8	-13	179.7	-85.1	-170	-30.9	0	0	113.6	R68 P74	R68-Q72 HydrophobicContact CG-CG 4.19Å; R68-Q72 WeakPolarHBondContact O-CB 3.34Å; R68-Q72 WeakPolarHBondContact O-CG 3.49Å; R68-Q72 PolarHBondContact O-N 3.18Å; Q72-P74 VanDerWaalsContact O-CD 3.23Å; Q72-P74 WeakPolarHBondContact O-CD 3.21Å
73	K	47.3	Very low	61.1	Low	169 Å²	169	104.9 Å²	104.9	74%	0.735	54%	0.536	S	S	*	.	S	Bend	trans	-82.4	94.1	147.9	-72.5	-176.8	179.2	-178.4	0	104.5	T69 Q70 P75	T69-K73 PolarHBondContact O-N 2.83Å; Q70-K73 VanDerWaalsContact O-O 3.11Å; K73-P75 VanDerWaalsContact O-CD 3.28Å; K73-P75 WeakPolarHBondContact O-CD 3.19Å
74	P	45.1	Very low	60.5	Low	67 Å²	67	103.4 Å²	103.4	44%	0.435	53%	0.532	S	S	.	.			trans	-57.9	125.5	178	-2.3	17.6	0	0	0	105	Q72	Q72-P74 VanDerWaalsContact O-CD 3.23Å; Q72-P74 WeakPolarHBondContact O-CD 3.21Å
75	P	49.3	Very low	60	Low	43 Å²	43	105.3 Å²	105.3	28%	0.279	54%	0.536	S	S	.	.			trans	-50.3	134.1	166.1	-22.7	32.6	0	0	0	106.1	K73 E77 L78 N79	K73-P75 VanDerWaalsContact O-CD 3.28Å; K73-P75 WeakPolarHBondContact O-CD 3.19Å; P75-E77 HydrophobicContact CB-CB 4.1Å; P75-E77 PolarHBondContact O-N 2.75Å; P75-L78 HydrophobicContact CB-CB 4.43Å; P75-L78 HydrophobicContact CG-CB 4.36Å; P75-L78 HydrophobicContact CG-CD1 4.05Å; P75-L78 PolarHBondContact O-N 2.72Å; P75-N79 PolarHBondContact O-N 3.23Å
76	P	55.5	Low	59.7	Low	109 Å²	109	104.7 Å²	104.7	71%	0.708	54%	0.536	S	S	*	.	H	α-helix	trans	-50.7	-23.2	170.8	17.5	-28.2	0	0	0	111.3	S80	P76-S80 VanDerWaalsContact O-CB 3.27Å; P76-S80 WeakPolarHBondContact O-CB 2.99Å; P76-S80 PolarHBondContact O-N 2.88Å; P76-S80 VanDerWaalsContact O-N 3.08Å; P76-S80 PolarHBondContact O-OG 2.69Å
77	E	52.8	Low	59.7	Low	149 Å²	149	101.9 Å²	101.9	70%	0.696	53%	0.528	S	S	*	.	H	α-helix	trans	-68.9	-26.7	173.1	-65.3	160.2	-168.7	0	0	115.4	P75 S80 S81	P75-E77 HydrophobicContact CB-CB 4.1Å; P75-E77 PolarHBondContact O-N 2.75Å; E77-S80 VanDerWaalsContact C-OG 3.31Å; E77-S80 WeakPolarHBondContact CA-OG 3.49Å; E77-S80 PolarHBondContact O-OG 2.83Å; E77-S81 WeakPolarHBondContact O-CA 3.28Å; E77-S81 WeakPolarHBondContact O-CB 3.4Å; E77-S81 PolarHBondContact O-N 3.39Å
78	L	47.8	Very low	59.8	Low	97 Å²	97	102.4 Å²	102.4	51%	0.508	53%	0.53	S	S	.	.	H	α-helix	trans	-95.1	-30.5	-178	-109.7	155.4	0	0	0	112.9	P75 A82	P75-L78 HydrophobicContact CB-CB 4.43Å; P75-L78 HydrophobicContact CG-CB 4.36Å; P75-L78 HydrophobicContact CG-CD1 4.05Å; P75-L78 PolarHBondContact O-N 2.72Å; L78-A82 VanDerWaalsContact O-CB 3.26Å; L78-A82 WeakPolarHBondContact O-CB 3.45Å; L78-A82 PolarHBondContact O-N 3.39Å
79	N	53.2	Low	60	Low	93 Å²	93	97.9 Å²	97.9	50%	0.497	52%	0.519	S	S	.	.	H	α-helix	trans	-69.8	-41.5	164.6	-94.2	15	0	0	0	110.4	P75 A82 E83	P75-N79 PolarHBondContact O-N 3.23Å; N79-A82 PolarHBondContact O-N 3.39Å; N79-E83 VanDerWaalsContact O-CB 3.23Å; N79-E83 WeakPolarHBondContact O-CB 3.26Å; N79-E83 VanDerWaalsContact O-CG 3.25Å; N79-E83 WeakPolarHBondContact O-CG 3.4Å; N79-E83 PolarHBondContact O-N 2.93Å
80	S	57.3	Low	60.4	Low	52 Å²	52	98.5 Å²	98.5	36%	0.364	52%	0.517	S	S	.	.	H	α-helix	trans	-65.9	-38.2	171.9	53.4	0	0	0	0	112.2	P76 E77 E83 E84	P76-S80 VanDerWaalsContact O-CB 3.27Å; P76-S80 WeakPolarHBondContact O-CB 2.99Å; P76-S80 PolarHBondContact O-N 2.88Å; P76-S80 VanDerWaalsContact O-N 3.08Å; P76-S80 PolarHBondContact O-OG 2.69Å; E77-S80 VanDerWaalsContact C-OG 3.31Å; E77-S80 WeakPolarHBondContact CA-OG 3.49Å; E77-S80 PolarHBondContact O-OG 2.83Å; S80-E83 CarbonylContact O-C 3.31Å; S80-E83 PolarHBondContact O-N 3.3Å; S80-E84 WeakPolarHBondContact O-CA 3.45Å; S80-E84 WeakPolarHBondContact O-CB 3.29Å; S80-E84 PolarHBondContact O-N 3.42Å
81	S	55.5	Low	61.2	Low	59 Å²	59	98.8 Å²	98.8	41%	0.413	52%	0.518	S	S	.	.	H	α-helix	trans	-70.2	-34.1	176.4	174.4	0	0	0	0	113.5	E77 F85	E77-S81 WeakPolarHBondContact O-CA 3.28Å; E77-S81 WeakPolarHBondContact O-CB 3.4Å; E77-S81 PolarHBondContact O-N 3.39Å; S81-F85 WeakPolarHBondContact O-CB 3.46Å; S81-F85 PolarHBondContact O-N 3.42Å
82	A	57	Low	62	Low	46 Å²	46	99.9 Å²	99.9	38%	0.38	52%	0.518	S	S	.	.	H	α-helix	trans	-73.3	-38.4	172.7	0	0	0	0	0	111.5	L78 N79 F85 I86	L78-A82 VanDerWaalsContact O-CB 3.26Å; L78-A82 WeakPolarHBondContact O-CB 3.45Å; L78-A82 PolarHBondContact O-N 3.39Å; N79-A82 PolarHBondContact O-N 3.39Å; A82-F85 PolarHBondContact O-N 3.31Å; A82-I86 VanDerWaalsContact O-CB 3.28Å; A82-I86 WeakPolarHBondContact O-CB 3.48Å; A82-I86 WeakPolarHBondContact O-CD1 3.39Å; A82-I86 WeakPolarHBondContact O-CG1 3.47Å; A82-I86 PolarHBondContact O-N 3.11Å
83	E	64.7	Low	63.1	Low	132 Å²	132	99.7 Å²	99.7	62%	0.617	52%	0.517	S	S	*	.	H	α-helix	trans	-67	-38.5	171.6	-75.4	174.4	179.5	0	0	111.7	N79 S80 S87	N79-E83 VanDerWaalsContact O-CB 3.23Å; N79-E83 WeakPolarHBondContact O-CB 3.26Å; N79-E83 VanDerWaalsContact O-CG 3.25Å; N79-E83 WeakPolarHBondContact O-CG 3.4Å; N79-E83 PolarHBondContact O-N 2.93Å; S80-E83 CarbonylContact O-C 3.31Å; S80-E83 PolarHBondContact O-N 3.3Å; E83-S87 WeakPolarHBondContact O-CB 3.33Å; E83-S87 PolarHBondContact O-N 3.39Å
84	E	68.1	Low	64.6	Low	119 Å²	119	98.3 Å²	98.3	56%	0.556	51%	0.511	S	S	*	.	H	α-helix	trans	-64.2	-47.8	172.1	-106.7	176.5	164.6	0	0	109.6	S80 S87 E88	S80-E84 WeakPolarHBondContact O-CA 3.45Å; S80-E84 WeakPolarHBondContact O-CB 3.29Å; S80-E84 PolarHBondContact O-N 3.42Å; E84-S87 CarbonylContact O-C 3.47Å; E84-S87 WeakPolarHBondContact O-CB 3.4Å; E84-S87 PolarHBondContact O-N 2.87Å; E84-S87 VanDerWaalsContact O-N 3.16Å; E84-E88 WeakPolarHBondContact O-CB 3.28Å; E84-E88 WeakPolarHBondContact O-CG 3.48Å; E84-E88 PolarHBondContact O-N 2.95Å
85	F	69.8	Low	66.3	Low	131 Å²	131	97 Å²	97	58%	0.575	51%	0.509	S	S	*	.	H	α-helix	trans	-66.6	-40.8	179.6	-172.9	-98.2	0	0	0	111.8	S81 A82 S87 E88 V89	S81-F85 WeakPolarHBondContact O-CB 3.46Å; S81-F85 PolarHBondContact O-N 3.42Å; A82-F85 PolarHBondContact O-N 3.31Å; F85-S87 VanDerWaalsContact C-N 3.31Å; F85-E88 PolarHBondContact O-N 3.48Å; F85-V89 HydrophobicContact CD1-CG2 4.02Å; F85-V89 HydrophobicContact CE1-CG2 3.65Å; F85-V89 HydrophobicContact CE2-CG2 4.39Å; F85-V89 HydrophobicContact CZ-CG2 3.86Å; F85-V89 WeakPolarHBondContact O-CB 3.35Å; F85-V89 WeakPolarHBondContact O-CG2 3.48Å; F85-V89 PolarHBondContact O-N 3.36Å
86	I	73.1	Confident	67.7	Low	97 Å²	97	98.5 Å²	98.5	50%	0.497	52%	0.518	S	S	.	.	H	α-helix	trans	-62.5	-41.9	171.8	-70.8	165.9	0	0	0	109.6	A82 V89 E90	A82-I86 VanDerWaalsContact O-CB 3.28Å; A82-I86 WeakPolarHBondContact O-CB 3.48Å; A82-I86 WeakPolarHBondContact O-CD1 3.39Å; A82-I86 WeakPolarHBondContact O-CG1 3.47Å; A82-I86 PolarHBondContact O-N 3.11Å; I86-V89 PolarHBondContact O-N 3.5Å; I86-E90 HydrophobicContact CG2-CG 4.34Å; I86-E90 VanDerWaalsContact O-CB 3.3Å; I86-E90 WeakPolarHBondContact O-CB 3.39Å; I86-E90 VanDerWaalsContact O-CG 3.28Å; I86-E90 WeakPolarHBondContact O-CG 3.43Å; I86-E90 PolarHBondContact O-N 3.36Å
87	S	74.2	Confident	68.8	Low	64 Å²	64	97.4 Å²	97.4	45%	0.448	51%	0.512	S	S	.	.	H	α-helix	trans	-66.6	-39	177	-171.3	0	0	0	0	112.2	E83 E84 F85 E90 E91	E83-S87 WeakPolarHBondContact O-CB 3.33Å; E83-S87 PolarHBondContact O-N 3.39Å; E84-S87 CarbonylContact O-C 3.47Å; E84-S87 WeakPolarHBondContact O-CB 3.4Å; E84-S87 PolarHBondContact O-N 2.87Å; E84-S87 VanDerWaalsContact O-N 3.16Å; F85-S87 VanDerWaalsContact C-N 3.31Å; S87-E90 PolarHBondContact O-N 2.85Å; S87-E91 WeakPolarHBondContact O-CB 3.3Å; S87-E91 PolarHBondContact O-N 3.35Å
88	E	74.6	Confident	70.2	Confident	115 Å²	115	93.7 Å²	93.7	54%	0.537	50%	0.502	S	S	.	.	H	α-helix	trans	-67.5	-41	175.4	-79.6	-177.3	176.8	0	0	110.5	E84 F85 E91 F92	E84-E88 WeakPolarHBondContact O-CB 3.28Å; E84-E88 WeakPolarHBondContact O-CG 3.48Å; E84-E88 PolarHBondContact O-N 2.95Å; F85-E88 PolarHBondContact O-N 3.48Å; E88-E91 PolarHBondContact O-N 2.86Å; E88-F92 WeakPolarHBondContact O-CB 3.14Å; E88-F92 PolarHBondContact O-N 3.48Å
89	V	73.4	Confident	72	Confident	56 Å²	56	96.8 Å²	96.8	34%	0.339	51%	0.508	S	S	.	.	H	α-helix	trans	-67.4	-42.5	174.2	170.9	0	0	0	0	110.5	F85 I86 F92 E93	F85-V89 HydrophobicContact CD1-CG2 4.02Å; F85-V89 HydrophobicContact CE1-CG2 3.65Å; F85-V89 HydrophobicContact CE2-CG2 4.39Å; F85-V89 HydrophobicContact CZ-CG2 3.86Å; F85-V89 WeakPolarHBondContact O-CB 3.35Å; F85-V89 WeakPolarHBondContact O-CG2 3.48Å; F85-V89 PolarHBondContact O-N 3.36Å; I86-V89 PolarHBondContact O-N 3.5Å; V89-F92 PolarHBondContact O-N 3.45Å; V89-E93 HydrophobicContact CG1-CG 4.5Å; V89-E93 WeakPolarHBondContact O-CB 3.38Å; V89-E93 WeakPolarHBondContact O-CG 3.34Å; V89-E93 PolarHBondContact O-N 3.14Å
90	E	76.3	Confident	73.4	Confident	95 Å²	95	94.4 Å²	94.4	44%	0.444	50%	0.501	S	S	.	.	H	α-helix	trans	-65.1	-37.9	174.3	-78.9	-174.9	-173.5	0	0	112	I86 S87 K94	I86-E90 HydrophobicContact CG2-CG 4.34Å; I86-E90 VanDerWaalsContact O-CB 3.3Å; I86-E90 WeakPolarHBondContact O-CB 3.39Å; I86-E90 VanDerWaalsContact O-CG 3.28Å; I86-E90 WeakPolarHBondContact O-CG 3.43Å; I86-E90 PolarHBondContact O-N 3.36Å; S87-E90 PolarHBondContact O-N 2.85Å; E90-K94 VanDerWaalsContact O-CB 3.24Å; E90-K94 WeakPolarHBondContact O-CB 3.48Å; E90-K94 WeakPolarHBondContact O-CG 3.09Å; E90-K94 PolarHBondContact O-N 2.76Å
91	E	78.2	Confident	74.8	Confident	135 Å²	135	96.1 Å²	96.1	63%	0.631	50%	0.501	S	S	*	.	H	α-helix	trans	-70	-39.8	175.8	-172.6	170.6	-167.1	0	0	110.8	S87 E88 K94 G95	S87-E91 WeakPolarHBondContact O-CB 3.3Å; S87-E91 PolarHBondContact O-N 3.35Å; E88-E91 PolarHBondContact O-N 2.86Å; E91-K94 PolarHBondContact O-N 3.44Å; E91-G95 PolarHBondContact O-N 2.82Å
92	F	76.2	Confident	76.4	Confident	146 Å²	146	96.4 Å²	96.4	64%	0.64	50%	0.502	S	S	*	.	H	α-helix	trans	-64	-46.9	172.1	-178.4	-97.2	0	0	0	111.3	E88 V89 K94 G95 V96	E88-F92 WeakPolarHBondContact O-CB 3.14Å; E88-F92 PolarHBondContact O-N 3.48Å; V89-F92 PolarHBondContact O-N 3.45Å; F92-K94 PolarHBondContact O-N 2.8Å; F92-G95 CarbonylContact O-C 3.58Å; F92-G95 WeakPolarHBondContact O-CA 3.28Å; F92-G95 PolarHBondContact O-N 3.18Å; F92-G95 VanDerWaalsContact O-N 3.14Å; F92-V96 HydrophobicContact CD1-CG2 4.11Å; F92-V96 HydrophobicContact CE1-CG2 3.71Å; F92-V96 HydrophobicContact CE2-CG2 4.29Å; F92-V96 HydrophobicContact CZ-CG2 3.8Å; F92-V96 WeakPolarHBondContact O-CG2 3.3Å; F92-V96 PolarHBondContact O-N 3.38Å
93	E	75.6	Confident	78	Confident	120 Å²	120	100 Å²	100	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-61.9	-42.2	175.1	-79.5	-170.7	165.7	0	0	111.7	V89 G95 V96 C97	V89-E93 HydrophobicContact CG1-CG 4.5Å; V89-E93 WeakPolarHBondContact O-CB 3.38Å; V89-E93 WeakPolarHBondContact O-CG 3.34Å; V89-E93 PolarHBondContact O-N 3.14Å; E93-G95 VanDerWaalsContact C-N 3.32Å; E93-V96 PolarHBondContact O-N 2.76Å; E93-C97 VanDerWaalsContact O-CB 3.3Å; E93-C97 WeakPolarHBondContact O-CB 3.35Å; E93-C97 PolarHBondContact O-N 3.45Å; E93-C97 PolarHBondContact O-SG 3.49Å
94	K	79.2	Confident	79.3	Confident	139 Å²	139	95.2 Å²	95.2	60%	0.604	49%	0.49	S	S	*	.	H	α-helix	trans	-61.5	-41.3	171.8	-81	170.2	-175.6	158.1	0	111.3	E90 E91 F92 C97 S98	E90-K94 VanDerWaalsContact O-CB 3.24Å; E90-K94 WeakPolarHBondContact O-CB 3.48Å; E90-K94 WeakPolarHBondContact O-CG 3.09Å; E90-K94 PolarHBondContact O-N 2.76Å; E91-K94 PolarHBondContact O-N 3.44Å; F92-K94 PolarHBondContact O-N 2.8Å; K94-C97 PolarHBondContact O-N 2.77Å; K94-S98 WeakPolarHBondContact O-CB 3.19Å; K94-S98 PolarHBondContact O-N 3.4Å
95	G	80	Confident	80.4	Confident	39 Å²	39	91.7 Å²	91.7	40%	0.402	47%	0.474	S	S	.	.	H	α-helix	trans	-62.6	-47.7	176.9	0	0	0	0	0	112	E91 F92 E93 S98 Y99	E91-G95 PolarHBondContact O-N 2.82Å; F92-G95 CarbonylContact O-C 3.58Å; F92-G95 WeakPolarHBondContact O-CA 3.28Å; F92-G95 PolarHBondContact O-N 3.18Å; F92-G95 VanDerWaalsContact O-N 3.14Å; E93-G95 VanDerWaalsContact C-N 3.32Å; G95-S98 PolarHBondContact O-N 2.76Å; G95-Y99 WeakPolarHBondContact O-CB 3.14Å; G95-Y99 PolarHBondContact O-N 2.83Å
96	V	79.4	Confident	81.5	Confident	75 Å²	75	87.4 Å²	87.4	46%	0.455	46%	0.463	S	S	.	.	H	α-helix	trans	-63.6	-45.3	176	173.3	0	0	0	0	110.9	F92 E93 S98 Y99 A100	F92-V96 HydrophobicContact CD1-CG2 4.11Å; F92-V96 HydrophobicContact CE1-CG2 3.71Å; F92-V96 HydrophobicContact CE2-CG2 4.29Å; F92-V96 HydrophobicContact CZ-CG2 3.8Å; F92-V96 WeakPolarHBondContact O-CG2 3.3Å; F92-V96 PolarHBondContact O-N 3.38Å; E93-V96 PolarHBondContact O-N 2.76Å; V96-S98 PolarHBondContact O-N 3.45Å; V96-Y99 PolarHBondContact O-N 2.75Å; V96-A100 WeakPolarHBondContact O-CB 3.28Å; V96-A100 PolarHBondContact O-N 3.4Å
97	C	79.2	Confident	82.4	Confident	87 Å²	87	87.5 Å²	87.5	59%	0.588	46%	0.46	S	S	*	.	H	α-helix	trans	-63.1	-42.1	176	-70.9	0	0	0	0	111.8	E93 K94 A100 Y101	E93-C97 VanDerWaalsContact O-CB 3.3Å; E93-C97 WeakPolarHBondContact O-CB 3.35Å; E93-C97 PolarHBondContact O-N 3.45Å; E93-C97 PolarHBondContact O-SG 3.49Å; K94-C97 PolarHBondContact O-N 2.77Å; C97-A100 PolarHBondContact O-N 3.16Å; C97-Y101 WeakPolarHBondContact O-CB 3.16Å; C97-Y101 PolarHBondContact O-N 2.77Å
98	S	82.2	Confident	83.3	Confident	70 Å²	70	84.5 Å²	84.5	49%	0.49	44%	0.439	S	S	.	.	H	α-helix	trans	-64.3	-40.9	177.4	-178.5	0	0	0	0	111.6	K94 G95 V96 Y101 S102	K94-S98 WeakPolarHBondContact O-CB 3.19Å; K94-S98 PolarHBondContact O-N 3.4Å; G95-S98 PolarHBondContact O-N 2.76Å; V96-S98 PolarHBondContact O-N 3.45Å; S98-Y101 PolarHBondContact O-N 2.82Å; S98-S102 WeakPolarHBondContact O-CB 3.27Å; S98-S102 PolarHBondContact O-N 3.48Å; S98-S102 PolarHBondContact O-OG 2.86Å
99	Y	83.9	Confident	84.2	Confident	162 Å²	162	84.1 Å²	84.1	64%	0.635	44%	0.437	S	S	*	.	H	α-helix	trans	-62.5	-52.1	175	-178.4	-94.6	0	0	0	111.3	G95 V96 Y101 S102 E103	G95-Y99 WeakPolarHBondContact O-CB 3.14Å; G95-Y99 PolarHBondContact O-N 2.83Å; V96-Y99 PolarHBondContact O-N 2.75Å; Y99-Y101 VanDerWaalsContact C-N 3.31Å; Y99-Y101 PolarHBondContact O-N 2.67Å; Y99-S102 PolarHBondContact O-N 2.67Å; Y99-S102 VanDerWaalsContact O-N 3.13Å; Y99-E103 PolarHBondContact O-N 2.86Å
100	A	83.8	Confident	85.3	Confident	43 Å²	43	86.5 Å²	86.5	36%	0.355	45%	0.448	S	S	.	.	H	α-helix	trans	-60.1	-41	178	0	0	0	0	0	112.1	V96 C97 S102 E103 I104	V96-A100 WeakPolarHBondContact O-CB 3.28Å; V96-A100 PolarHBondContact O-N 3.4Å; C97-A100 PolarHBondContact O-N 3.16Å; A100-S102 PolarHBondContact O-N 3.42Å; A100-E103 PolarHBondContact O-N 2.63Å; A100-I104 WeakPolarHBondContact O-CD1 3.45Å; A100-I104 VanDerWaalsContact O-CG1 3.28Å; A100-I104 WeakPolarHBondContact O-CG1 3.44Å; A100-I104 PolarHBondContact O-N 3.17Å; A100-I104 VanDerWaalsContact O-N 3.11Å
101	Y	86.9	Confident	86.2	Confident	89 Å²	89	83.4 Å²	83.4	35%	0.349	43%	0.433	S	S	.	.	H	α-helix	trans	-61.4	-44	175.4	-166.5	-85.2	0	0	0	111.8	C97 S98 Y99 I104 I105 L149	C97-Y101 WeakPolarHBondContact O-CB 3.16Å; C97-Y101 PolarHBondContact O-N 2.77Å; S98-Y101 PolarHBondContact O-N 2.82Å; Y99-Y101 VanDerWaalsContact C-N 3.31Å; Y99-Y101 PolarHBondContact O-N 2.67Å; Y101-I104 PolarHBondContact O-N 3.49Å; Y101-I105 HydrophobicContact CD1-CD1 3.65Å; Y101-I105 HydrophobicContact CD1-CG1 4.37Å; Y101-I105 HydrophobicContact CE1-CD1 3.37Å; Y101-I105 HydrophobicContact CE1-CG1 4.27Å; Y101-I105 PolarHBondContact O-N 2.9Å; Y101-I105 VanDerWaalsContact O-N 3.13Å; Y101-L149 HydrophobicContact CD2-CB 4.43Å; Y101-L149 HydrophobicContact CD2-CD2 3.91Å; Y101-L149 HydrophobicContact CE1-CD1 4.18Å; Y101-L149 HydrophobicContact CE2-CB 3.57Å; Y101-L149 HydrophobicContact CE2-CD1 4.14Å; Y101-L149 HydrophobicContact CE2-CD2 3.86Å; Y101-L149 HydrophobicContact CE2-CG 4.07Å; Y101-L149 HydrophobicContact CG-CD2 4.49Å
102	S	88.7	Confident	87	Confident	64 Å²	64	78.1 Å²	78.1	45%	0.448	41%	0.411	S	S	.	.	H	α-helix	trans	-67.5	-37.7	178.6	-58.4	0	0	0	0	112.1	S98 Y99 A100 I105 A106	S98-S102 WeakPolarHBondContact O-CB 3.27Å; S98-S102 PolarHBondContact O-N 3.48Å; S98-S102 PolarHBondContact O-OG 2.86Å; Y99-S102 PolarHBondContact O-N 2.67Å; Y99-S102 VanDerWaalsContact O-N 3.13Å; A100-S102 PolarHBondContact O-N 3.42Å; S102-I105 PolarHBondContact O-N 3.08Å; S102-A106 WeakPolarHBondContact O-CB 3.26Å; S102-A106 PolarHBondContact O-N 3.45Å
103	E	91	Very high	87.9	Confident	121 Å²	121	74.3 Å²	74.3	57%	0.565	40%	0.402	S	S	*	.	H	α-helix	trans	-62.9	-41.9	176.1	-167.2	-175.8	170.9	0	0	111.5	Y99 A100 A106 K107	Y99-E103 PolarHBondContact O-N 2.86Å; A100-E103 PolarHBondContact O-N 2.63Å; E103-A106 PolarHBondContact O-N 2.91Å; E103-K107 WeakPolarHBondContact O-CB 3.23Å; E103-K107 PolarHBondContact O-N 3.24Å
104	I	91.3	Very high	89	Confident	33 Å²	33	70.1 Å²	70.1	17%	0.169	39%	0.387	C	S	.	.	H	α-helix	trans	-63.9	-44.1	175.6	-64	158.7	0	0	0	110.9	A100 Y101 K107 M108 F137 F141 L149 M153	A100-I104 WeakPolarHBondContact O-CD1 3.45Å; A100-I104 VanDerWaalsContact O-CG1 3.28Å; A100-I104 WeakPolarHBondContact O-CG1 3.44Å; A100-I104 PolarHBondContact O-N 3.17Å; A100-I104 VanDerWaalsContact O-N 3.11Å; Y101-I104 PolarHBondContact O-N 3.49Å; I104-K107 PolarHBondContact O-N 2.84Å; I104-M108 WeakPolarHBondContact O-CG 3.2Å; I104-M108 PolarHBondContact O-N 3.11Å; I104-F137 HydrophobicContact CG2-CE1 4.06Å; I104-F137 HydrophobicContact CG2-CZ 4.24Å; I104-F141 HydrophobicContact CD1-CE1 3.49Å; I104-F141 VanDerWaalsContact CD1-CE1 3.49Å; I104-F141 HydrophobicContact CD1-CZ 3.71Å; I104-F141 HydrophobicContact CG1-CE1 4.2Å; I104-F141 HydrophobicContact CG1-CZ 3.89Å; I104-F141 HydrophobicContact CG2-CE1 4.37Å; I104-F141 HydrophobicContact CG2-CE2 4.34Å; I104-F141 HydrophobicContact CG2-CZ 3.92Å; I104-L149 HydrophobicContact CB-CD2 4.16Å; I104-L149 HydrophobicContact CD1-CD2 3.92Å; I104-L149 HydrophobicContact CG2-CD1 4.45Å; I104-L149 HydrophobicContact CG2-CD2 3.83Å; I104-L149 HydrophobicContact CG2-CG 4.41Å; I104-M153 HydrophobicContact CG2-CE 4.24Å; I104-M153 HydrophobicContact CG2-SD 4.14Å
105	I	91.5	Very high	89.8	Confident	44 Å²	44	63.5 Å²	63.5	23%	0.226	36%	0.358	C	S	.	.	H	α-helix	trans	-60.3	-47.3	175.9	-72.3	176.7	0	0	0	110.7	Y101 S102 K107 M108 Q109 L149 W152	Y101-I105 HydrophobicContact CD1-CD1 3.65Å; Y101-I105 HydrophobicContact CD1-CG1 4.37Å; Y101-I105 HydrophobicContact CE1-CD1 3.37Å; Y101-I105 HydrophobicContact CE1-CG1 4.27Å; Y101-I105 PolarHBondContact O-N 2.9Å; Y101-I105 VanDerWaalsContact O-N 3.13Å; S102-I105 PolarHBondContact O-N 3.08Å; I105-K107 VanDerWaalsContact C-N 3.3Å; I105-K107 PolarHBondContact O-N 3.15Å; I105-M108 PolarHBondContact O-N 3.25Å; I105-Q109 HydrophobicContact CG2-CG 4.32Å; I105-Q109 WeakPolarHBondContact O-CG 3.41Å; I105-Q109 PolarHBondContact O-N 2.92Å; I105-L149 HydrophobicContact CD1-CD1 4.35Å; I105-L149 HydrophobicContact CG1-CD1 3.82Å; I105-W152 HydrophobicContact CG1-CH2 4.47Å; I105-W152 HydrophobicContact CG1-CZ3 4.15Å; I105-W152 HydrophobicContact CG2-CH2 4.21Å
106	A	92.3	Very high	90.5	Very high	41 Å²	41	64.2 Å²	64.2	34%	0.339	36%	0.357	S	S	.	.	H	α-helix	trans	-59.3	-42.6	178.8	0	0	0	0	0	111.2	S102 E103 Q109 N110	S102-A106 WeakPolarHBondContact O-CB 3.26Å; S102-A106 PolarHBondContact O-N 3.45Å; E103-A106 PolarHBondContact O-N 2.91Å; A106-Q109 PolarHBondContact O-N 3.49Å; A106-N110 WeakPolarHBondContact O-CB 3.45Å; A106-N110 PolarHBondContact O-N 3.37Å; A106-N110 PolarHBondContact O-ND2 3.44Å; A106-N110 PolarHBondContact O-OD1 2.95Å
107	K	93.5	Very high	91.4	Very high	100 Å²	100	66.1 Å²	66.1	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-63.8	-42.6	176.6	-169.7	168.4	177.8	-177.3	0	112.5	E103 I104 I105 Q109 N110 F111 F137	E103-K107 WeakPolarHBondContact O-CB 3.23Å; E103-K107 PolarHBondContact O-N 3.24Å; I104-K107 PolarHBondContact O-N 2.84Å; I105-K107 VanDerWaalsContact C-N 3.3Å; I105-K107 PolarHBondContact O-N 3.15Å; K107-Q109 VanDerWaalsContact C-N 3.35Å; K107-Q109 PolarHBondContact O-N 3.02Å; K107-N110 WeakPolarHBondContact O-CB 3.48Å; K107-N110 PolarHBondContact O-N 3.13Å; K107-F111 HydrophobicContact CD-CE2 4.42Å; K107-F111 HydrophobicContact CG-CD2 4.28Å; K107-F111 HydrophobicContact CG-CE2 3.87Å; K107-F111 VanDerWaalsContact O-CD2 3.27Å; K107-F111 WeakPolarHBondContact O-CD2 3.29Å; K107-F111 PolarHBondContact O-N 3.45Å; K107-F137 HydrophobicContact CB-CE1 4.5Å; K107-F137 HydrophobicContact CB-CZ 4.45Å; K107-F137 HydrophobicContact CD-CD2 4.37Å; K107-F137 HydrophobicContact CD-CE1 4.26Å; K107-F137 HydrophobicContact CD-CE2 3.74Å; K107-F137 HydrophobicContact CD-CZ 3.68Å; K107-F137 HydrophobicContact CG-CE1 4.37Å; K107-F137 HydrophobicContact CG-CZ 4.25Å
108	M	92.7	Very high	92.2	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.7	-40.4	174.5	-73.9	-65.6	-85.5	0	0	112.4	I104 I105 N110 F111 S112 L134 F137 W152 M153 L156 V157	I104-M108 WeakPolarHBondContact O-CG 3.2Å; I104-M108 PolarHBondContact O-N 3.11Å; I105-M108 PolarHBondContact O-N 3.25Å; M108-N110 VanDerWaalsContact C-N 3.34Å; M108-F111 PolarHBondContact O-N 2.94Å; M108-S112 WeakPolarHBondContact O-CB 3.39Å; M108-S112 PolarHBondContact O-N 2.75Å; M108-L134 HydrophobicContact CE-CD1 3.58Å; M108-L134 HydrophobicContact SD-CD1 3.35Å; M108-L134 WeakPolarHBondContact SD-CD1 3.29Å; M108-F137 HydrophobicContact CG-CD1 4.29Å; M108-F137 HydrophobicContact CG-CE1 4.05Å; M108-F137 HydrophobicContact SD-CD1 3.6Å; M108-F137 HydrophobicContact SD-CE1 3.98Å; M108-W152 HydrophobicContact CB-CH2 3.63Å; M108-W152 HydrophobicContact CB-CZ3 3.63Å; M108-W152 HydrophobicContact CG-CH2 4.4Å; M108-W152 HydrophobicContact CG-CZ3 3.89Å; M108-M153 HydrophobicContact CE-CB 3.56Å; M108-M153 HydrophobicContact CE-CE 3.73Å; M108-M153 HydrophobicContact CE-CG 3.61Å; M108-M153 HydrophobicContact CG-CE 3.82Å; M108-M153 HydrophobicContact CG-CG 4.16Å; M108-M153 HydrophobicContact SD-CE 3.53Å; M108-M153 VanDerWaalsContact SD-CE 3.53Å; M108-M153 HydrophobicContact SD-CG 4.39Å; M108-L156 HydrophobicContact CB-CD2 4.37Å; M108-L156 HydrophobicContact CE-CD2 4.11Å; M108-V157 HydrophobicContact CE-CG2 4.5Å
109	Q	93.7	Very high	92.8	Very high	108 Å²	108	60.7 Å²	60.7	51%	0.505	32%	0.315	S	S	.	.	H	α-helix	trans	-66.9	-35.2	175.1	-72.1	175.6	-14.4	0	0	112.1	I105 A106 K107 S112 S113	I105-Q109 HydrophobicContact CG2-CG 4.32Å; I105-Q109 WeakPolarHBondContact O-CG 3.41Å; I105-Q109 PolarHBondContact O-N 2.92Å; A106-Q109 PolarHBondContact O-N 3.49Å; K107-Q109 VanDerWaalsContact C-N 3.35Å; K107-Q109 PolarHBondContact O-N 3.02Å; Q109-S112 PolarHBondContact O-N 2.93Å; Q109-S113 WeakPolarHBondContact O-CB 3.27Å; Q109-S113 PolarHBondContact O-N 3.32Å; Q109-S113 PolarHBondContact O-OG 3.36Å
110	N	94.8	Very high	93.3	Very high	105 Å²	105	56.9 Å²	56.9	56%	0.561	32%	0.317	S	S	*	.	H	α-helix	trans	-64.4	-44.4	174.1	-70.5	-17.1	0	0	0	111.6	A106 K107 M108 S113 S114	A106-N110 WeakPolarHBondContact O-CB 3.45Å; A106-N110 PolarHBondContact O-N 3.37Å; A106-N110 PolarHBondContact O-ND2 3.44Å; A106-N110 PolarHBondContact O-OD1 2.95Å; K107-N110 WeakPolarHBondContact O-CB 3.48Å; K107-N110 PolarHBondContact O-N 3.13Å; M108-N110 VanDerWaalsContact C-N 3.34Å; N110-S113 WeakPolarHBondContact CA-OG 3.29Å; N110-S113 PolarHBondContact O-OG 3.06Å; N110-S114 VanDerWaalsContact O-CB 3.29Å; N110-S114 WeakPolarHBondContact O-CB 3.47Å; N110-S114 PolarHBondContact O-N 3.21Å
111	F	96.2	Very high	93.8	Very high	30 Å²	30	59.3 Å²	59.3	13%	0.132	32%	0.321	C	S	.	.	H	α-helix	trans	-60.1	-48.3	172.2	-75.4	-56.6	0	0	0	111.6	K107 M108 S113 S114 I115 T130 E133 L134 F137	K107-F111 HydrophobicContact CD-CE2 4.42Å; K107-F111 HydrophobicContact CG-CD2 4.28Å; K107-F111 HydrophobicContact CG-CE2 3.87Å; K107-F111 VanDerWaalsContact O-CD2 3.27Å; K107-F111 WeakPolarHBondContact O-CD2 3.29Å; K107-F111 PolarHBondContact O-N 3.45Å; M108-F111 PolarHBondContact O-N 2.94Å; F111-S113 PolarHBondContact O-N 2.89Å; F111-S114 WeakPolarHBondContact O-CB 3.3Å; F111-S114 PolarHBondContact O-N 3.41Å; F111-I115 WeakPolarHBondContact O-CG1 3.37Å; F111-I115 PolarHBondContact O-N 2.99Å; F111-T130 HydrophobicContact CD1-CG2 4.07Å; F111-E133 HydrophobicContact CE1-CB 3.9Å; F111-E133 HydrophobicContact CZ-CB 4.36Å; F111-L134 HydrophobicContact CB-CB 4.19Å; F111-L134 HydrophobicContact CB-CD1 3.66Å; F111-L134 HydrophobicContact CB-CG 4.38Å; F111-L134 HydrophobicContact CD2-CD1 3.95Å; F111-L134 HydrophobicContact CG-CB 4.28Å; F111-L134 HydrophobicContact CG-CD1 4.08Å; F111-F137 HydrophobicContact CE2-CB 4.01Å; F111-F137 HydrophobicContact CE2-CD1 4.05Å; F111-F137 AromaticContact CE2-CG 3.94Å; F111-F137 HydrophobicContact CE2-CG 3.94Å
112	S	95.3	Very high	94	Very high	24 Å²	24	59.6 Å²	59.6	17%	0.168	34%	0.335	C	S	.	.	H	α-helix	trans	-60.2	-43.1	-179.7	-169	0	0	0	0	112.9	M108 Q109 S116 W160	M108-S112 WeakPolarHBondContact O-CB 3.39Å; M108-S112 PolarHBondContact O-N 2.75Å; Q109-S112 PolarHBondContact O-N 2.93Å; S112-S116 WeakPolarHBondContact O-CB 3.44Å; S112-S116 PolarHBondContact O-N 3.23Å; S112-S116 PolarHBondContact O-OG 2.97Å; S112-W160 WeakPolarHBondContact O-CZ2 3.32Å; S112-W160 WeakPolarHBondContact OG-CZ2 3.45Å; S112-W160 PolarHBondContact OG-NE1 3.35Å; S112-W160 VanDerWaalsContact OG-NE1 3.11Å
113	S	95.7	Very high	94.3	Very high	66 Å²	66	59.8 Å²	59.8	46%	0.462	33%	0.329	S	S	.	.	H	α-helix	trans	-69.6	-36.4	176.3	54.2	0	0	0	0	112	Q109 N110 F111 S116 R117	Q109-S113 WeakPolarHBondContact O-CB 3.27Å; Q109-S113 PolarHBondContact O-N 3.32Å; Q109-S113 PolarHBondContact O-OG 3.36Å; N110-S113 WeakPolarHBondContact CA-OG 3.29Å; N110-S113 PolarHBondContact O-OG 3.06Å; F111-S113 PolarHBondContact O-N 2.89Å; S113-S116 PolarHBondContact O-N 3.1Å; S113-R117 WeakPolarHBondContact O-CB 3.48Å; S113-R117 PolarHBondContact O-N 3.36Å
114	S	97	Very high	94.4	Very high	33 Å²	33	56 Å²	56	23%	0.231	31%	0.309	C	S	.	.	H	α-helix	trans	-61.5	-49.3	172.6	-170	0	0	0	0	111.6	N110 F111 S116 R117 L118	N110-S114 VanDerWaalsContact O-CB 3.29Å; N110-S114 WeakPolarHBondContact O-CB 3.47Å; N110-S114 PolarHBondContact O-N 3.21Å; F111-S114 WeakPolarHBondContact O-CB 3.3Å; F111-S114 PolarHBondContact O-N 3.41Å; S114-S116 VanDerWaalsContact C-N 3.33Å; S114-S116 PolarHBondContact O-N 2.92Å; S114-R117 PolarHBondContact O-N 3.39Å; S114-L118 WeakPolarHBondContact O-CB 3.36Å; S114-L118 VanDerWaalsContact O-CG 3.27Å; S114-L118 WeakPolarHBondContact O-CG 3.42Å; S114-L118 PolarHBondContact O-N 3.37Å
115	I	96.4	Very high	94.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-57.1	-48.2	175.5	-67.4	169.3	0	0	0	110.3	F111 R117 L118 I119 T130 L131 L134 W160 F164	F111-I115 WeakPolarHBondContact O-CG1 3.37Å; F111-I115 PolarHBondContact O-N 2.99Å; I115-R117 VanDerWaalsContact C-N 3.31Å; I115-R117 PolarHBondContact O-N 2.99Å; I115-L118 PolarHBondContact O-N 2.9Å; I115-I119 HydrophobicContact CG2-CD1 3.7Å; I115-I119 HydrophobicContact CG2-CG1 4.36Å; I115-I119 WeakPolarHBondContact O-CB 3.46Å; I115-I119 VanDerWaalsContact O-CG1 3.3Å; I115-I119 WeakPolarHBondContact O-CG1 3.34Å; I115-I119 PolarHBondContact O-N 3.37Å; I115-T130 HydrophobicContact CD1-CG2 4.32Å; I115-T130 HydrophobicContact CG1-CG2 3.63Å; I115-L131 HydrophobicContact CD1-CB 4.27Å; I115-L131 HydrophobicContact CD1-CD1 4.34Å; I115-L134 HydrophobicContact CD1-CB 4.47Å; I115-L134 HydrophobicContact CD1-CD2 3.74Å; I115-W160 HydrophobicContact CB-CZ2 4.44Å; I115-W160 HydrophobicContact CD1-CD2 4.47Å; I115-W160 HydrophobicContact CD1-CG 4.35Å; I115-W160 HydrophobicContact CG2-CD2 3.89Å; I115-W160 HydrophobicContact CG2-CE3 3.56Å; I115-W160 HydrophobicContact CG2-CH2 4.01Å; I115-W160 HydrophobicContact CG2-CZ2 4.28Å; I115-W160 HydrophobicContact CG2-CZ3 3.63Å; I115-F164 HydrophobicContact CG2-CE2 3.93Å; I115-F164 HydrophobicContact CG2-CZ 4.27Å
116	S	95.7	Very high	94.7	Very high	54 Å²	54	60.9 Å²	60.9	38%	0.378	33%	0.33	S	S	.	.	H	α-helix	trans	-57.6	-44.2	178.9	-56.3	0	0	0	0	112.2	S112 S113 S114 A120 W160	S112-S116 WeakPolarHBondContact O-CB 3.44Å; S112-S116 PolarHBondContact O-N 3.23Å; S112-S116 PolarHBondContact O-OG 2.97Å; S113-S116 PolarHBondContact O-N 3.1Å; S114-S116 VanDerWaalsContact C-N 3.33Å; S114-S116 PolarHBondContact O-N 2.92Å; S116-A120 WeakPolarHBondContact O-CB 3.35Å; S116-A120 PolarHBondContact O-N 3.03Å; S116-W160 WeakPolarHBondContact OG-CH2 3.34Å; S116-W160 WeakPolarHBondContact OG-CZ2 3.38Å
117	R	97.5	Very high	94.9	Very high	115 Å²	115	59 Å²	59	43%	0.434	31%	0.314	S	S	.	.	H	α-helix	trans	-65.9	-47.5	178.9	-176.6	-172.6	63.9	75	8.5	111.5	S113 S114 I115 I119 A120 E121	S113-R117 WeakPolarHBondContact O-CB 3.48Å; S113-R117 PolarHBondContact O-N 3.36Å; S114-R117 PolarHBondContact O-N 3.39Å; I115-R117 VanDerWaalsContact C-N 3.31Å; I115-R117 PolarHBondContact O-N 2.99Å; R117-I119 VanDerWaalsContact C-N 3.33Å; R117-I119 PolarHBondContact O-N 3.41Å; R117-A120 WeakPolarHBondContact O-CB 3.35Å; R117-A120 PolarHBondContact O-N 2.79Å; R117-A120 VanDerWaalsContact O-N 3.13Å; R117-E121 VanDerWaalsContact CG-OE1 3.26Å; R117-E121 WeakPolarHBondContact CG-OE1 3.35Å; R117-E121 IonicContact CZ-OE1 2.73Å; R117-E121 IonicContact CZ-OE2 2.96Å; R117-E121 IonicContact NH1-OE1 3.22Å; R117-E121 PolarHBondContact NH1-OE1 2.83Å; R117-E121 IonicContact NH1-OE2 2.64Å; R117-E121 PolarHBondContact NH1-OE2 2.96Å; R117-E121 WeakPolarHBondContact O-CG 3.27Å; R117-E121 PolarHBondContact O-N 3.2Å
118	L	96.8	Very high	94.9	Very high	9 Å²	9	54.4 Å²	54.4	5%	0.047	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-40.4	179.3	-69.5	167.8	0	0	0	111.7	S114 I115 E121 C122 Q123 E126 A127 T130	S114-L118 WeakPolarHBondContact O-CB 3.36Å; S114-L118 VanDerWaalsContact O-CG 3.27Å; S114-L118 WeakPolarHBondContact O-CG 3.42Å; S114-L118 PolarHBondContact O-N 3.37Å; I115-L118 PolarHBondContact O-N 2.9Å; L118-E121 CarbonylContact O-C 3.59Å; L118-E121 PolarHBondContact O-N 2.91Å; L118-C122 PolarHBondContact O-N 3.36Å; L118-C122 VanDerWaalsContact O-N 3.11Å; L118-Q123 HydrophobicContact CB-CB 4.3Å; L118-Q123 HydrophobicContact CD2-CB 3.92Å; L118-Q123 PolarHBondContact O-N 2.87Å; L118-E126 HydrophobicContact CD1-CB 4.07Å; L118-E126 HydrophobicContact CD2-CB 3.97Å; L118-A127 HydrophobicContact CB-CB 3.82Å; L118-A127 HydrophobicContact CD1-CB 4.5Å; L118-T130 WeakPolarHBondContact CD1-OG1 3.37Å
119	I	94.3	Very high	95	Very high	33 Å²	33	58.4 Å²	58.4	17%	0.169	32%	0.316	C	S	.	.	H	α-helix	trans	-61.5	-44.7	172.9	-70.9	173	0	0	0	110.9	I115 R117 E121 C122 W124 A127 W160 L163 F164	I115-I119 HydrophobicContact CG2-CD1 3.7Å; I115-I119 HydrophobicContact CG2-CG1 4.36Å; I115-I119 WeakPolarHBondContact O-CB 3.46Å; I115-I119 VanDerWaalsContact O-CG1 3.3Å; I115-I119 WeakPolarHBondContact O-CG1 3.34Å; I115-I119 PolarHBondContact O-N 3.37Å; R117-I119 VanDerWaalsContact C-N 3.33Å; R117-I119 PolarHBondContact O-N 3.41Å; I119-E121 VanDerWaalsContact C-N 3.25Å; I119-E121 PolarHBondContact O-N 3.42Å; I119-C122 PolarHBondContact O-N 2.99Å; I119-W124 HydrophobicContact CB-CH2 4.36Å; I119-W124 HydrophobicContact CD1-CH2 4.22Å; I119-W124 HydrophobicContact CD1-CZ3 3.99Å; I119-W124 HydrophobicContact CG1-CE3 4.2Å; I119-W124 HydrophobicContact CG1-CH2 3.95Å; I119-W124 HydrophobicContact CG1-CZ3 3.78Å; I119-W124 HydrophobicContact CG2-CH2 3.65Å; I119-W124 HydrophobicContact CG2-CZ2 3.8Å; I119-W124 HydrophobicContact CG2-CZ3 4.36Å; I119-A127 HydrophobicContact CG1-CB 4.07Å; I119-W160 HydrophobicContact CD1-CE3 4.39Å; I119-W160 HydrophobicContact CD1-CZ3 3.85Å; I119-L163 HydrophobicContact CD1-CD2 3.96Å; I119-F164 HydrophobicContact CD1-CE2 4Å; I119-F164 HydrophobicContact CD1-CZ 4.24Å
120	A	93.3	Very high	95.1	Very high	82 Å²	82	54 Å²	54	68%	0.678	30%	0.296	S	S	*	.	H	α-helix	trans	-63.3	-32.4	177.3	0	0	0	0	0	112.6	S116 R117 C122	S116-A120 WeakPolarHBondContact O-CB 3.35Å; S116-A120 PolarHBondContact O-N 3.03Å; R117-A120 WeakPolarHBondContact O-CB 3.35Å; R117-A120 PolarHBondContact O-N 2.79Å; R117-A120 VanDerWaalsContact O-N 3.13Å; A120-C122 VanDerWaalsContact C-N 3.26Å; A120-C122 PolarHBondContact O-N 2.88Å
121	E	95.2	Very high	95.2	Very high	94 Å²	94	49 Å²	49	44%	0.439	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	2.9	174.5	-68.4	169.1	-169.4	0	0	113.3	R117 L118 I119 Q123	R117-E121 VanDerWaalsContact CG-OE1 3.26Å; R117-E121 WeakPolarHBondContact CG-OE1 3.35Å; R117-E121 IonicContact CZ-OE1 2.73Å; R117-E121 IonicContact CZ-OE2 2.96Å; R117-E121 IonicContact NH1-OE1 3.22Å; R117-E121 PolarHBondContact NH1-OE1 2.83Å; R117-E121 IonicContact NH1-OE2 2.64Å; R117-E121 PolarHBondContact NH1-OE2 2.96Å; R117-E121 WeakPolarHBondContact O-CG 3.27Å; R117-E121 PolarHBondContact O-N 3.2Å; L118-E121 CarbonylContact O-C 3.59Å; L118-E121 PolarHBondContact O-N 2.91Å; I119-E121 VanDerWaalsContact C-N 3.25Å; I119-E121 PolarHBondContact O-N 3.42Å; E121-Q123 HydrophobicContact CB-CG 4.21Å; E121-Q123 PolarHBondContact O-N 3.24Å; E121-Q123 PolarHBondContact OE2-OE1 3.43Å
122	C	90.8	Very high	95.1	Very high	95 Å²	95	50.4 Å²	50.4	64%	0.642	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	20.8	-175.2	-60.6	0	0	0	0	114.8	L118 I119 A120 W124	L118-C122 PolarHBondContact O-N 3.36Å; L118-C122 VanDerWaalsContact O-N 3.11Å; I119-C122 PolarHBondContact O-N 2.99Å; A120-C122 VanDerWaalsContact C-N 3.26Å; A120-C122 PolarHBondContact O-N 2.88Å; C122-W124 VanDerWaalsContact C-N 3.34Å; C122-W124 PolarHBondContact O-N 2.84Å; C122-W124 VanDerWaalsContact O-N 3.15Å
123	Q	94.6	Very high	95.1	Very high	69 Å²	69	54.3 Å²	54.3	32%	0.322	30%	0.296	S	S	.	.			trans	-86.7	68.8	177.1	-71.8	-157.9	-74.6	0	0	111.1	L118 E121 E126 A127	L118-Q123 HydrophobicContact CB-CB 4.3Å; L118-Q123 HydrophobicContact CD2-CB 3.92Å; L118-Q123 PolarHBondContact O-N 2.87Å; E121-Q123 HydrophobicContact CB-CG 4.21Å; E121-Q123 PolarHBondContact O-N 3.24Å; E121-Q123 PolarHBondContact OE2-OE1 3.43Å; Q123-E126 HydrophobicContact CB-CB 4.43Å; Q123-E126 VanDerWaalsContact CB-OE2 3.29Å; Q123-E126 WeakPolarHBondContact CB-OE2 3.47Å; Q123-E126 PolarHBondContact NE2-OE1 3.04Å; Q123-A127 VanDerWaalsContact O-CB 3.29Å; Q123-A127 WeakPolarHBondContact O-CB 3.23Å; Q123-A127 PolarHBondContact O-N 3.03Å
124	W	93.9	Very high	95	Very high	41 Å²	41	51.1 Å²	51.1	16%	0.155	27%	0.274	C	S	.	.	H	α-helix	trans	-71.5	-28.9	-172	-72.6	97.5	0	0	0	114.4	I119 C122 T128 F164 V167 I206 F207	I119-W124 HydrophobicContact CB-CH2 4.36Å; I119-W124 HydrophobicContact CD1-CH2 4.22Å; I119-W124 HydrophobicContact CD1-CZ3 3.99Å; I119-W124 HydrophobicContact CG1-CE3 4.2Å; I119-W124 HydrophobicContact CG1-CH2 3.95Å; I119-W124 HydrophobicContact CG1-CZ3 3.78Å; I119-W124 HydrophobicContact CG2-CH2 3.65Å; I119-W124 HydrophobicContact CG2-CZ2 3.8Å; I119-W124 HydrophobicContact CG2-CZ3 4.36Å; C122-W124 VanDerWaalsContact C-N 3.34Å; C122-W124 PolarHBondContact O-N 2.84Å; C122-W124 VanDerWaalsContact O-N 3.15Å; W124-T128 WeakPolarHBondContact O-CB 3.3Å; W124-T128 PolarHBondContact O-N 3.14Å; W124-T128 PolarHBondContact O-OG1 2.9Å; W124-F164 HydrophobicContact CE3-CD1 4.39Å; W124-F164 HydrophobicContact CE3-CE1 4.03Å; W124-F164 HydrophobicContact CZ3-CD1 4.39Å; W124-F164 HydrophobicContact CZ3-CE1 4.24Å; W124-V167 HydrophobicContact CH2-CB 4.23Å; W124-V167 HydrophobicContact CH2-CG1 3.78Å; W124-V167 HydrophobicContact CH2-CG2 3.96Å; W124-V167 HydrophobicContact CZ2-CG1 4.04Å; W124-V167 HydrophobicContact CZ3-CB 4.46Å; W124-V167 HydrophobicContact CZ3-CG1 4.2Å; W124-V167 HydrophobicContact CZ3-CG2 4.49Å; W124-I206 HydrophobicContact CB-CG2 3.69Å; W124-F207 HydrophobicContact CB-CZ 4.29Å; W124-F207 AromaticContact CD2-CE1 3.9Å; W124-F207 HydrophobicContact CD2-CE1 3.9Å; W124-F207 AromaticContact CD2-CZ 3.51Å; W124-F207 HydrophobicContact CD2-CZ 3.51Å; W124-F207 AromaticContact CE2-CZ 3.84Å; W124-F207 AromaticContact CE3-CE1 3.68Å; W124-F207 HydrophobicContact CE3-CE1 3.68Å; W124-F207 AromaticContact CE3-CZ 3.82Å; W124-F207 HydrophobicContact CE3-CZ 3.82Å; W124-F207 HydrophobicContact CG-CE1 4.4Å; W124-F207 HydrophobicContact CG-CE2 4.35Å; W124-F207 AromaticContact CG-CZ 3.72Å; W124-F207 HydrophobicContact CG-CZ 3.72Å; W124-F207 HydrophobicContact CZ2-CZ 4.42Å; W124-F207 HydrophobicContact CZ3-CE1 4.06Å; W124-F207 HydrophobicContact CZ3-CZ 4.39Å
125	E	93.4	Very high	94.8	Very high	103 Å²	103	50.1 Å²	50.1	48%	0.481	27%	0.267	S	S	.	.	H	α-helix	trans	-67.7	-49.1	176.6	-172.5	176.7	168.2	0	0	110	A127 T128 N129 I206	E125-A127 VanDerWaalsContact C-N 3.33Å; E125-A127 PolarHBondContact O-N 3.49Å; E125-T128 WeakPolarHBondContact O-CB 3.4Å; E125-T128 PolarHBondContact O-N 3.49Å; E125-N129 PolarHBondContact O-N 3.46Å; E125-N129 PolarHBondContact O-ND2 2.96Å; E125-I206 HydrophobicContact CB-CG2 4.42Å
126	E	95.8	Very high	94.7	Very high	77 Å²	77	52.8 Å²	52.8	36%	0.36	29%	0.285	S	S	.	.	H	α-helix	trans	-66	-36.3	175.9	-59.6	91.1	154.8	0	0	111.9	L118 Q123 T128 N129 T130	L118-E126 HydrophobicContact CD1-CB 4.07Å; L118-E126 HydrophobicContact CD2-CB 3.97Å; Q123-E126 HydrophobicContact CB-CB 4.43Å; Q123-E126 VanDerWaalsContact CB-OE2 3.29Å; Q123-E126 WeakPolarHBondContact CB-OE2 3.47Å; Q123-E126 PolarHBondContact NE2-OE1 3.04Å; E126-T128 VanDerWaalsContact C-N 3.34Å; E126-N129 PolarHBondContact O-N 3.22Å; E126-T130 WeakPolarHBondContact O-CB 3.41Å; E126-T130 PolarHBondContact O-N 3.35Å; E126-T130 PolarHBondContact O-OG1 3.41Å
127	A	96.2	Very high	94.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.8	-40.7	174.8	0	0	0	0	0	111.5	L118 I119 Q123 E125 T130 L131 F164	L118-A127 HydrophobicContact CB-CB 3.82Å; L118-A127 HydrophobicContact CD1-CB 4.5Å; I119-A127 HydrophobicContact CG1-CB 4.07Å; Q123-A127 VanDerWaalsContact O-CB 3.29Å; Q123-A127 WeakPolarHBondContact O-CB 3.23Å; Q123-A127 PolarHBondContact O-N 3.03Å; E125-A127 VanDerWaalsContact C-N 3.33Å; E125-A127 PolarHBondContact O-N 3.49Å; A127-T130 PolarHBondContact O-N 2.89Å; A127-L131 PolarHBondContact O-N 2.88Å; A127-F164 HydrophobicContact CB-CE1 4.28Å; A127-F164 HydrophobicContact CB-CZ 3.8Å
128	T	94.1	Very high	94.3	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-46.2	174.6	-59.6	0	0	0	0	110.9	W124 E125 E126 T130 L131 V132 F164 A210 V213	W124-T128 WeakPolarHBondContact O-CB 3.3Å; W124-T128 PolarHBondContact O-N 3.14Å; W124-T128 PolarHBondContact O-OG1 2.9Å; E125-T128 WeakPolarHBondContact O-CB 3.4Å; E125-T128 PolarHBondContact O-N 3.49Å; E126-T128 VanDerWaalsContact C-N 3.34Å; T128-T130 VanDerWaalsContact C-N 3.33Å; T128-T130 PolarHBondContact O-N 3.31Å; T128-L131 WeakPolarHBondContact O-CB 3.19Å; T128-L131 PolarHBondContact O-N 3.22Å; T128-L131 VanDerWaalsContact O-N 3.1Å; T128-V132 PolarHBondContact O-N 2.89Å; T128-F164 WeakPolarHBondContact OG1-CE1 3.12Å; T128-A210 HydrophobicContact CG2-CB 4.02Å; T128-V213 HydrophobicContact CG2-CB 4.27Å; T128-V213 HydrophobicContact CG2-CG2 3.97Å
129	N	95.1	Very high	94	Very high	84 Å²	84	51 Å²	51	45%	0.449	28%	0.275	S	S	.	.	H	α-helix	trans	-60.6	-42.3	176.1	-68	-26.1	0	0	0	111.8	E125 E126 L131 V132 E133	E125-N129 PolarHBondContact O-N 3.46Å; E125-N129 PolarHBondContact O-ND2 2.96Å; E126-N129 PolarHBondContact O-N 3.22Å; N129-L131 VanDerWaalsContact C-N 3.28Å; N129-L131 PolarHBondContact O-N 2.9Å; N129-V132 WeakPolarHBondContact O-CB 3.24Å; N129-V132 PolarHBondContact O-N 2.96Å; N129-V132 VanDerWaalsContact O-N 3.14Å; N129-E133 PolarHBondContact O-N 3.26Å
130	T	95.8	Very high	93.9	Very high	15 Å²	15	55.4 Å²	55.4	9%	0.092	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-33.2	175.9	-50.7	0	0	0	0	111.9	F111 I115 L118 E126 A127 T128 E133 L134	F111-T130 HydrophobicContact CD1-CG2 4.07Å; I115-T130 HydrophobicContact CD1-CG2 4.32Å; I115-T130 HydrophobicContact CG1-CG2 3.63Å; L118-T130 WeakPolarHBondContact CD1-OG1 3.37Å; E126-T130 WeakPolarHBondContact O-CB 3.41Å; E126-T130 PolarHBondContact O-N 3.35Å; E126-T130 PolarHBondContact O-OG1 3.41Å; A127-T130 PolarHBondContact O-N 2.89Å; T128-T130 VanDerWaalsContact C-N 3.33Å; T128-T130 PolarHBondContact O-N 3.31Å; T130-E133 PolarHBondContact O-N 3.42Å; T130-L134 WeakPolarHBondContact O-CB 3.23Å; T130-L134 PolarHBondContact O-N 3.31Å
131	L	95.2	Very high	93.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.6	-35.8	173.9	179	61.2	0	0	0	112.3	I115 A127 T128 N129 L134 T135 W160 R161 F164 V213	I115-L131 HydrophobicContact CD1-CB 4.27Å; I115-L131 HydrophobicContact CD1-CD1 4.34Å; A127-L131 PolarHBondContact O-N 2.88Å; T128-L131 WeakPolarHBondContact O-CB 3.19Å; T128-L131 PolarHBondContact O-N 3.22Å; T128-L131 VanDerWaalsContact O-N 3.1Å; N129-L131 VanDerWaalsContact C-N 3.28Å; N129-L131 PolarHBondContact O-N 2.9Å; L131-L134 HydrophobicContact CD1-CD2 4.13Å; L131-L134 PolarHBondContact O-N 3.13Å; L131-T135 WeakPolarHBondContact O-CB 3.22Å; L131-T135 PolarHBondContact O-N 3.05Å; L131-T135 PolarHBondContact O-OG1 2.91Å; L131-W160 HydrophobicContact CD1-CB 3.73Å; L131-R161 HydrophobicContact CD2-CG 4.35Å; L131-F164 HydrophobicContact CD2-CD1 4.45Å; L131-F164 HydrophobicContact CD2-CD2 3.77Å; L131-F164 HydrophobicContact CD2-CE2 3.97Å; L131-F164 HydrophobicContact CD2-CG 4Å; L131-F164 HydrophobicContact CD2-CZ 4.37Å; L131-V213 HydrophobicContact CD2-CG1 4.44Å; L131-V213 HydrophobicContact CG-CG1 4.45Å
132	V	94.5	Very high	93.4	Very high	61 Å²	61	54.9 Å²	54.9	37%	0.37	28%	0.283	S	S	.	.	H	α-helix	trans	-61.5	-48.3	171.6	177.4	0	0	0	0	110	T128 N129 L134 T135 S136 V213	T128-V132 PolarHBondContact O-N 2.89Å; N129-V132 WeakPolarHBondContact O-CB 3.24Å; N129-V132 PolarHBondContact O-N 2.96Å; N129-V132 VanDerWaalsContact O-N 3.14Å; V132-L134 PolarHBondContact O-N 3.5Å; V132-T135 WeakPolarHBondContact O-CB 3.25Å; V132-T135 PolarHBondContact O-N 3.46Å; V132-S136 PolarHBondContact O-N 2.92Å; V132-S136 PolarHBondContact O-OG 3.41Å; V132-V213 HydrophobicContact CG2-CB 4.13Å; V132-V213 HydrophobicContact CG2-CG1 3.44Å; V132-V213 VanDerWaalsContact CG2-CG1 3.44Å; V132-V213 HydrophobicContact CG2-CG2 3.51Å
133	E	95.5	Very high	93.2	Very high	105 Å²	105	60 Å²	60	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-60.1	-46.3	177.5	-68.9	-179.4	-172.1	0	0	111.7	F111 N129 T130 T135 S136 F137	F111-E133 HydrophobicContact CE1-CB 3.9Å; F111-E133 HydrophobicContact CZ-CB 4.36Å; N129-E133 PolarHBondContact O-N 3.26Å; T130-E133 PolarHBondContact O-N 3.42Å; E133-T135 VanDerWaalsContact C-N 3.32Å; E133-T135 PolarHBondContact O-N 3.4Å; E133-S136 PolarHBondContact O-N 2.74Å; E133-S136 PolarHBondContact O-OG 3.22Å; E133-F137 VanDerWaalsContact O-CB 3.3Å; E133-F137 WeakPolarHBondContact O-CB 3.37Å; E133-F137 PolarHBondContact O-N 3.44Å
134	L	94.4	Very high	92.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57.5	-44.6	175.5	174.5	66.6	0	0	0	111.8	M108 F111 I115 T130 L131 V132 F137 S138 V157 W160	M108-L134 HydrophobicContact CE-CD1 3.58Å; M108-L134 HydrophobicContact SD-CD1 3.35Å; M108-L134 WeakPolarHBondContact SD-CD1 3.29Å; F111-L134 HydrophobicContact CB-CB 4.19Å; F111-L134 HydrophobicContact CB-CD1 3.66Å; F111-L134 HydrophobicContact CB-CG 4.38Å; F111-L134 HydrophobicContact CD2-CD1 3.95Å; F111-L134 HydrophobicContact CG-CB 4.28Å; F111-L134 HydrophobicContact CG-CD1 4.08Å; I115-L134 HydrophobicContact CD1-CB 4.47Å; I115-L134 HydrophobicContact CD1-CD2 3.74Å; T130-L134 WeakPolarHBondContact O-CB 3.23Å; T130-L134 PolarHBondContact O-N 3.31Å; L131-L134 HydrophobicContact CD1-CD2 4.13Å; L131-L134 PolarHBondContact O-N 3.13Å; V132-L134 PolarHBondContact O-N 3.5Å; L134-F137 PolarHBondContact O-N 2.89Å; L134-S138 PolarHBondContact O-N 2.78Å; L134-V157 HydrophobicContact CD2-CG2 4.3Å; L134-V157 HydrophobicContact CG-CG2 4.02Å; L134-W160 HydrophobicContact CD2-CG 4.5Å
135	T	93.4	Very high	92.4	Very high	12 Å²	12	66.5 Å²	66.5	7%	0.074	33%	0.328	C	S	.	.	H	α-helix	trans	-62.8	-54.2	179.2	-66.6	0	0	0	0	110.8	L131 V132 E133 F137 S138 E139	L131-T135 WeakPolarHBondContact O-CB 3.22Å; L131-T135 PolarHBondContact O-N 3.05Å; L131-T135 PolarHBondContact O-OG1 2.91Å; V132-T135 WeakPolarHBondContact O-CB 3.25Å; V132-T135 PolarHBondContact O-N 3.46Å; E133-T135 VanDerWaalsContact C-N 3.32Å; E133-T135 PolarHBondContact O-N 3.4Å; T135-F137 PolarHBondContact O-N 3.48Å; T135-S138 WeakPolarHBondContact O-CA 3.49Å; T135-S138 WeakPolarHBondContact O-CB 3.43Å; T135-S138 PolarHBondContact O-N 3.37Å; T135-E139 HydrophobicContact CG2-CG 4.47Å; T135-E139 WeakPolarHBondContact CG2-OE1 3.35Å; T135-E139 WeakPolarHBondContact O-CG 3.36Å; T135-E139 PolarHBondContact O-N 3.13Å
136	S	93.1	Very high	92.1	Very high	55 Å²	55	64.3 Å²	64.3	39%	0.385	32%	0.323	S	S	.	.	H	α-helix	trans	-59.8	-35.4	180	67.8	0	0	0	0	111.8	V132 E133 E139 N140	V132-S136 PolarHBondContact O-N 2.92Å; V132-S136 PolarHBondContact O-OG 3.41Å; E133-S136 PolarHBondContact O-N 2.74Å; E133-S136 PolarHBondContact O-OG 3.22Å; S136-E139 PolarHBondContact O-N 3.14Å; S136-N140 PolarHBondContact O-N 2.91Å; S136-N140 PolarHBondContact O-ND2 3.44Å; S136-N140 VanDerWaalsContact O-ND2 3.14Å
137	F	93.6	Very high	91.6	Very high	29 Å²	29	70.3 Å²	70.3	13%	0.127	34%	0.342	C	S	.	.	H	α-helix	trans	-65.4	-38.9	174.3	-175.6	-104.1	0	0	0	112	I104 K107 M108 F111 E133 L134 T135 F141 M153	I104-F137 HydrophobicContact CG2-CE1 4.06Å; I104-F137 HydrophobicContact CG2-CZ 4.24Å; K107-F137 HydrophobicContact CB-CE1 4.5Å; K107-F137 HydrophobicContact CB-CZ 4.45Å; K107-F137 HydrophobicContact CD-CD2 4.37Å; K107-F137 HydrophobicContact CD-CE1 4.26Å; K107-F137 HydrophobicContact CD-CE2 3.74Å; K107-F137 HydrophobicContact CD-CZ 3.68Å; K107-F137 HydrophobicContact CG-CE1 4.37Å; K107-F137 HydrophobicContact CG-CZ 4.25Å; M108-F137 HydrophobicContact CG-CD1 4.29Å; M108-F137 HydrophobicContact CG-CE1 4.05Å; M108-F137 HydrophobicContact SD-CD1 3.6Å; M108-F137 HydrophobicContact SD-CE1 3.98Å; F111-F137 HydrophobicContact CE2-CB 4.01Å; F111-F137 HydrophobicContact CE2-CD1 4.05Å; F111-F137 AromaticContact CE2-CG 3.94Å; F111-F137 HydrophobicContact CE2-CG 3.94Å; E133-F137 VanDerWaalsContact O-CB 3.3Å; E133-F137 WeakPolarHBondContact O-CB 3.37Å; E133-F137 PolarHBondContact O-N 3.44Å; L134-F137 PolarHBondContact O-N 2.89Å; T135-F137 PolarHBondContact O-N 3.48Å; F137-F141 HydrophobicContact CD1-CE2 4.43Å; F137-F141 AromaticContact CE1-CE2 3.97Å; F137-F141 HydrophobicContact CE1-CE2 3.97Å; F137-F141 HydrophobicContact CE2-CE2 4.14Å; F137-F141 AromaticContact CZ-CE2 3.79Å; F137-F141 HydrophobicContact CZ-CE2 3.79Å; F137-F141 HydrophobicContact CZ-CZ 4.11Å; F137-F141 VanDerWaalsContact O-CD2 3.23Å; F137-F141 WeakPolarHBondContact O-CD2 3.5Å; F137-F141 WeakPolarHBondContact O-CE2 3.34Å; F137-M153 HydrophobicContact CD1-CE 3.78Å; F137-M153 HydrophobicContact CE1-CE 3.77Å
138	S	91.6	Very high	91.3	Very high	2 Å²	2	76.8 Å²	76.8	1%	0.014	38%	0.377	C	S	.	.	H	α-helix	trans	-65.6	-42.9	174.7	-164.1	0	0	0	0	112.7	L134 T135 N140 F141 Y150 M153 N154	L134-S138 PolarHBondContact O-N 2.78Å; T135-S138 WeakPolarHBondContact O-CA 3.49Å; T135-S138 WeakPolarHBondContact O-CB 3.43Å; T135-S138 PolarHBondContact O-N 3.37Å; S138-N140 PolarHBondContact O-N 3Å; S138-F141 WeakPolarHBondContact O-CB 3.43Å; S138-F141 PolarHBondContact O-N 3.06Å; S138-Y150 WeakPolarHBondContact O-CE2 3.46Å; S138-M153 WeakPolarHBondContact OG-CB 3.48Å; S138-N154 PolarHBondContact OG-OD1 3.49Å
139	E	90.9	Very high	91.1	Very high	109 Å²	109	76.6 Å²	76.6	51%	0.509	38%	0.376	S	S	.	.	H	α-helix	trans	-60.1	-30.7	-178.6	-72.4	170.5	177.8	0	0	112.9	T135 S136 F141 E142	T135-E139 HydrophobicContact CG2-CG 4.47Å; T135-E139 WeakPolarHBondContact CG2-OE1 3.35Å; T135-E139 WeakPolarHBondContact O-CG 3.36Å; T135-E139 PolarHBondContact O-N 3.13Å; S136-E139 PolarHBondContact O-N 3.14Å; E139-F141 PolarHBondContact O-N 3.19Å; E139-E142 WeakPolarHBondContact O-CB 3.46Å; E139-E142 PolarHBondContact O-N 3.43Å
140	N	90.7	Very high	90.9	Very high	127 Å²	127	75.1 Å²	75.1	68%	0.679	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-17	174.2	-67.4	-39.4	0	0	0	113.9	S136 S138	S136-N140 PolarHBondContact O-N 2.91Å; S136-N140 PolarHBondContact O-ND2 3.44Å; S136-N140 VanDerWaalsContact O-ND2 3.14Å; S138-N140 PolarHBondContact O-N 3Å
141	F	90.9	Very high	90.7	Very high	35 Å²	35	77.2 Å²	77.2	15%	0.154	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	2.1	179.7	-65.7	-91.3	0	0	0	114	I104 F137 S138 E139 K143 S144 Y150 M153	I104-F141 HydrophobicContact CD1-CE1 3.49Å; I104-F141 VanDerWaalsContact CD1-CE1 3.49Å; I104-F141 HydrophobicContact CD1-CZ 3.71Å; I104-F141 HydrophobicContact CG1-CE1 4.2Å; I104-F141 HydrophobicContact CG1-CZ 3.89Å; I104-F141 HydrophobicContact CG2-CE1 4.37Å; I104-F141 HydrophobicContact CG2-CE2 4.34Å; I104-F141 HydrophobicContact CG2-CZ 3.92Å; F137-F141 HydrophobicContact CD1-CE2 4.43Å; F137-F141 AromaticContact CE1-CE2 3.97Å; F137-F141 HydrophobicContact CE1-CE2 3.97Å; F137-F141 HydrophobicContact CE2-CE2 4.14Å; F137-F141 AromaticContact CZ-CE2 3.79Å; F137-F141 HydrophobicContact CZ-CE2 3.79Å; F137-F141 HydrophobicContact CZ-CZ 4.11Å; F137-F141 VanDerWaalsContact O-CD2 3.23Å; F137-F141 WeakPolarHBondContact O-CD2 3.5Å; F137-F141 WeakPolarHBondContact O-CE2 3.34Å; S138-F141 WeakPolarHBondContact O-CB 3.43Å; S138-F141 PolarHBondContact O-N 3.06Å; E139-F141 PolarHBondContact O-N 3.19Å; F141-K143 VanDerWaalsContact C-N 3.27Å; F141-K143 PolarHBondContact O-N 2.9Å; F141-S144 WeakPolarHBondContact O-CB 3.2Å; F141-S144 PolarHBondContact O-N 3.08Å; F141-Y150 HydrophobicContact CB-CD2 3.77Å; F141-Y150 HydrophobicContact CB-CG 4.4Å; F141-M153 HydrophobicContact CB-SD 4.36Å; F141-M153 HydrophobicContact CD2-CE 3.57Å; F141-M153 HydrophobicContact CD2-SD 3.89Å; F141-M153 HydrophobicContact CE2-CE 3.79Å; F141-M153 HydrophobicContact CE2-SD 4.36Å; F141-M153 HydrophobicContact CG-CE 4.31Å; F141-M153 HydrophobicContact CG-SD 4.03Å
142	E	87.9	Confident	90.7	Very high	130 Å²	130	81.7 Å²	81.7	61%	0.607	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-40.2	-176.7	-172.7	-173.1	-167.8	0	0	112.7	E139 S144 Y150	E139-E142 WeakPolarHBondContact O-CB 3.46Å; E139-E142 PolarHBondContact O-N 3.43Å; E142-S144 VanDerWaalsContact C-N 3.34Å; E142-Y150 HydrophobicContact CB-CE2 4.4Å; E142-Y150 HydrophobicContact CG-CE1 4.46Å
143	K	87.3	Confident	90.7	Very high	202 Å²	202	78.8 Å²	78.8	88%	0.878	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	5	178.9	-63	177.8	-176.5	171.5	0	113.4	F141	F141-K143 VanDerWaalsContact C-N 3.27Å; F141-K143 PolarHBondContact O-N 2.9Å
144	S	87.1	Confident	90.6	Very high	42 Å²	42	76.2 Å²	76.2	29%	0.294	37%	0.372	S	S	.	.			trans	-72.1	148.1	-177.4	-175.7	0	0	0	0	111.8	F141 E142 C146	F141-S144 WeakPolarHBondContact O-CB 3.2Å; F141-S144 PolarHBondContact O-N 3.08Å; E142-S144 VanDerWaalsContact C-N 3.34Å; S144-C146 PolarHBondContact O-N 3.49Å; S144-C146 WeakPolarHBondContact OG-CB 3.49Å; S144-C146 PolarHBondContact OG-N 2.92Å; S144-C146 VanDerWaalsContact OG-N 3.13Å
145	K	84.2	Confident	90.6	Very high	205 Å²	205	83.5 Å²	83.5	89%	0.891	40%	0.404	S	S	*	.	S	Bend	trans	-69.7	-17.1	169.1	-65.8	-177.1	-179.3	177.7	0	112.1	R147	K145-R147 PolarHBondContact O-N 3.31Å
146	C	86	Confident	90.7	Very high	57 Å²	57	84.4 Å²	84.4	39%	0.385	41%	0.408	S	S	.	.			trans	-77.3	59.3	-178.7	-59.8	0	0	0	0	112.9	S144 N148 L149 Y150	S144-C146 PolarHBondContact O-N 3.49Å; S144-C146 WeakPolarHBondContact OG-CB 3.49Å; S144-C146 PolarHBondContact OG-N 2.92Å; S144-C146 VanDerWaalsContact OG-N 3.13Å; C146-N148 VanDerWaalsContact C-N 3.3Å; C146-N148 PolarHBondContact O-N 3.11Å; C146-L149 HydrophobicContact CB-CB 4.09Å; C146-L149 WeakPolarHBondContact O-CB 3.18Å; C146-L149 PolarHBondContact O-N 3.08Å; C146-L149 VanDerWaalsContact O-N 3.08Å; C146-Y150 PolarHBondContact O-N 2.73Å
147	R	87.1	Confident	90.8	Very high	203 Å²	203	82.2 Å²	82.2	77%	0.766	39%	0.392	S	S	*	.	H	α-helix	trans	-55.2	-39.7	-173	-64.5	-177.5	179.6	-177.9	-0.7	114.1	K145 Y150 A151	K145-R147 PolarHBondContact O-N 3.31Å; R147-Y150 PolarHBondContact O-N 3.36Å; R147-A151 VanDerWaalsContact O-CB 3.27Å; R147-A151 WeakPolarHBondContact O-CB 3.43Å; R147-A151 PolarHBondContact O-N 3.02Å
148	N	88.9	Confident	90.8	Very high	136 Å²	136	85 Å²	85	73%	0.727	41%	0.412	S	S	*	.	H	α-helix	trans	-67.3	-39.4	179.8	-66.6	-18.6	0	0	0	112.3	C146 W152	C146-N148 VanDerWaalsContact C-N 3.3Å; C146-N148 PolarHBondContact O-N 3.11Å; N148-W152 PolarHBondContact O-N 3.37Å
149	L	89.8	Confident	91	Very high	0 Å²	0	88.2 Å²	88.2	0%	0	43%	0.434	C	S	.	.	H	α-helix	trans	-65.1	-50.9	176.5	-176.7	59	0	0	0	109.8	Y101 I104 I105 C146 A151 W152 M153	Y101-L149 HydrophobicContact CD2-CB 4.43Å; Y101-L149 HydrophobicContact CD2-CD2 3.91Å; Y101-L149 HydrophobicContact CE1-CD1 4.18Å; Y101-L149 HydrophobicContact CE2-CB 3.57Å; Y101-L149 HydrophobicContact CE2-CD1 4.14Å; Y101-L149 HydrophobicContact CE2-CD2 3.86Å; Y101-L149 HydrophobicContact CE2-CG 4.07Å; Y101-L149 HydrophobicContact CG-CD2 4.49Å; I104-L149 HydrophobicContact CB-CD2 4.16Å; I104-L149 HydrophobicContact CD1-CD2 3.92Å; I104-L149 HydrophobicContact CG2-CD1 4.45Å; I104-L149 HydrophobicContact CG2-CD2 3.83Å; I104-L149 HydrophobicContact CG2-CG 4.41Å; I105-L149 HydrophobicContact CD1-CD1 4.35Å; I105-L149 HydrophobicContact CG1-CD1 3.82Å; C146-L149 HydrophobicContact CB-CB 4.09Å; C146-L149 WeakPolarHBondContact O-CB 3.18Å; C146-L149 PolarHBondContact O-N 3.08Å; C146-L149 VanDerWaalsContact O-N 3.08Å; L149-A151 VanDerWaalsContact C-N 3.3Å; L149-A151 PolarHBondContact O-N 3.45Å; L149-W152 HydrophobicContact CD1-CE3 4.03Å; L149-W152 HydrophobicContact CD1-CZ3 4.4Å; L149-W152 WeakPolarHBondContact O-CB 3.39Å; L149-W152 PolarHBondContact O-N 3.45Å; L149-W152 VanDerWaalsContact O-N 3.09Å; L149-M153 HydrophobicContact CD1-CG 4.39Å; L149-M153 HydrophobicContact CG-CG 4.32Å; L149-M153 HydrophobicContact CG-SD 3.97Å; L149-M153 WeakPolarHBondContact O-CB 3.42Å; L149-M153 WeakPolarHBondContact O-CG 3.46Å; L149-M153 PolarHBondContact O-N 3.48Å
150	Y	92	Very high	91.3	Very high	53 Å²	53	84.5 Å²	84.5	21%	0.208	42%	0.416	C	S	.	.	H	α-helix	trans	-59.2	-40.6	178.4	-179.2	-120.4	0	0	0	112.3	S138 F141 E142 C146 R147 W152 M153 N154	S138-Y150 WeakPolarHBondContact O-CE2 3.46Å; F141-Y150 HydrophobicContact CB-CD2 3.77Å; F141-Y150 HydrophobicContact CB-CG 4.4Å; E142-Y150 HydrophobicContact CB-CE2 4.4Å; E142-Y150 HydrophobicContact CG-CE1 4.46Å; C146-Y150 PolarHBondContact O-N 2.73Å; R147-Y150 PolarHBondContact O-N 3.36Å; Y150-W152 PolarHBondContact O-N 3.24Å; Y150-M153 WeakPolarHBondContact O-CB 3.49Å; Y150-M153 PolarHBondContact O-N 3.28Å; Y150-N154 WeakPolarHBondContact CE1-ND2 3.39Å; Y150-N154 WeakPolarHBondContact CE2-ND2 3.33Å; Y150-N154 WeakPolarHBondContact CE2-OD1 3.4Å; Y150-N154 WeakPolarHBondContact O-CB 3.33Å; Y150-N154 PolarHBondContact O-N 3.06Å; Y150-N154 PolarHBondContact OH-ND2 3.47Å; Y150-N154 VanDerWaalsContact OH-ND2 3.16Å
151	A	91.6	Very high	91.5	Very high	59 Å²	59	81.4 Å²	81.4	49%	0.488	39%	0.394	S	S	.	.	H	α-helix	trans	-61.9	-41.8	174.6	0	0	0	0	0	112.6	R147 L149 K155	R147-A151 VanDerWaalsContact O-CB 3.27Å; R147-A151 WeakPolarHBondContact O-CB 3.43Å; R147-A151 PolarHBondContact O-N 3.02Å; L149-A151 VanDerWaalsContact C-N 3.3Å; L149-A151 PolarHBondContact O-N 3.45Å; A151-K155 WeakPolarHBondContact O-CB 3.43Å; A151-K155 PolarHBondContact O-N 3.49Å
152	W	94.2	Very high	91.7	Very high	94 Å²	94	84 Å²	84	36%	0.356	41%	0.407	S	S	.	.	H	α-helix	trans	-65.1	-44.4	174.2	171.5	81.6	0	0	0	112	I105 M108 N148 L149 Y150 N154 K155 L156	I105-W152 HydrophobicContact CG1-CH2 4.47Å; I105-W152 HydrophobicContact CG1-CZ3 4.15Å; I105-W152 HydrophobicContact CG2-CH2 4.21Å; M108-W152 HydrophobicContact CB-CH2 3.63Å; M108-W152 HydrophobicContact CB-CZ3 3.63Å; M108-W152 HydrophobicContact CG-CH2 4.4Å; M108-W152 HydrophobicContact CG-CZ3 3.89Å; N148-W152 PolarHBondContact O-N 3.37Å; L149-W152 HydrophobicContact CD1-CE3 4.03Å; L149-W152 HydrophobicContact CD1-CZ3 4.4Å; L149-W152 WeakPolarHBondContact O-CB 3.39Å; L149-W152 PolarHBondContact O-N 3.45Å; L149-W152 VanDerWaalsContact O-N 3.09Å; Y150-W152 PolarHBondContact O-N 3.24Å; W152-N154 PolarHBondContact O-N 2.95Å; W152-K155 WeakPolarHBondContact O-CB 3.43Å; W152-K155 PolarHBondContact O-N 2.76Å; W152-L156 HydrophobicContact CH2-CD2 4.36Å; W152-L156 HydrophobicContact CZ2-CD2 4.44Å; W152-L156 PolarHBondContact O-N 3.05Å
153	M	93.7	Very high	92.1	Very high	0 Å²	0	80.9 Å²	80.9	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-56.6	-50.3	176.3	-71.9	179.4	80.5	0	0	111.1	I104 M108 F137 S138 F141 L149 Y150 K155 L156 V157	I104-M153 HydrophobicContact CG2-CE 4.24Å; I104-M153 HydrophobicContact CG2-SD 4.14Å; M108-M153 HydrophobicContact CE-CB 3.56Å; M108-M153 HydrophobicContact CE-CE 3.73Å; M108-M153 HydrophobicContact CE-CG 3.61Å; M108-M153 HydrophobicContact CG-CE 3.82Å; M108-M153 HydrophobicContact CG-CG 4.16Å; M108-M153 HydrophobicContact SD-CE 3.53Å; M108-M153 VanDerWaalsContact SD-CE 3.53Å; M108-M153 HydrophobicContact SD-CG 4.39Å; F137-M153 HydrophobicContact CD1-CE 3.78Å; F137-M153 HydrophobicContact CE1-CE 3.77Å; S138-M153 WeakPolarHBondContact OG-CB 3.48Å; F141-M153 HydrophobicContact CB-SD 4.36Å; F141-M153 HydrophobicContact CD2-CE 3.57Å; F141-M153 HydrophobicContact CD2-SD 3.89Å; F141-M153 HydrophobicContact CE2-CE 3.79Å; F141-M153 HydrophobicContact CE2-SD 4.36Å; F141-M153 HydrophobicContact CG-CE 4.31Å; F141-M153 HydrophobicContact CG-SD 4.03Å; L149-M153 HydrophobicContact CD1-CG 4.39Å; L149-M153 HydrophobicContact CG-CG 4.32Å; L149-M153 HydrophobicContact CG-SD 3.97Å; L149-M153 WeakPolarHBondContact O-CB 3.42Å; L149-M153 WeakPolarHBondContact O-CG 3.46Å; L149-M153 PolarHBondContact O-N 3.48Å; Y150-M153 WeakPolarHBondContact O-CB 3.49Å; Y150-M153 PolarHBondContact O-N 3.28Å; M153-K155 PolarHBondContact O-N 3.03Å; M153-L156 WeakPolarHBondContact O-CB 3.5Å; M153-L156 PolarHBondContact O-N 3.46Å; M153-L156 VanDerWaalsContact O-N 3.14Å; M153-V157 WeakPolarHBondContact O-CG2 3.33Å; M153-V157 PolarHBondContact O-N 3.43Å
154	N	93.5	Very high	92.5	Very high	51 Å²	51	71.3 Å²	71.3	27%	0.273	35%	0.353	S	S	.	.	H	α-helix	trans	-63.4	-39.9	177.3	-78.3	-8.3	0	0	0	112.3	S138 Y150 W152 L156 V157 T158	S138-N154 PolarHBondContact OG-OD1 3.49Å; Y150-N154 WeakPolarHBondContact CE1-ND2 3.39Å; Y150-N154 WeakPolarHBondContact CE2-ND2 3.33Å; Y150-N154 WeakPolarHBondContact CE2-OD1 3.4Å; Y150-N154 WeakPolarHBondContact O-CB 3.33Å; Y150-N154 PolarHBondContact O-N 3.06Å; Y150-N154 PolarHBondContact OH-ND2 3.47Å; Y150-N154 VanDerWaalsContact OH-ND2 3.16Å; W152-N154 PolarHBondContact O-N 2.95Å; N154-L156 VanDerWaalsContact C-N 3.26Å; N154-L156 PolarHBondContact O-N 2.82Å; N154-V157 PolarHBondContact O-N 3.47Å; N154-T158 WeakPolarHBondContact O-CB 3.39Å; N154-T158 PolarHBondContact O-N 3.42Å; N154-T158 PolarHBondContact O-OG1 2.97Å
155	K	94.8	Very high	92.9	Very high	152 Å²	152	69.6 Å²	69.6	66%	0.661	34%	0.34	S	S	*	.	H	α-helix	trans	-59.3	-39.9	174.6	-173.6	177.8	179.4	179.8	0	111.7	A151 W152 M153 S159	A151-K155 WeakPolarHBondContact O-CB 3.43Å; A151-K155 PolarHBondContact O-N 3.49Å; W152-K155 WeakPolarHBondContact O-CB 3.43Å; W152-K155 PolarHBondContact O-N 2.76Å; M153-K155 PolarHBondContact O-N 3.03Å; K155-S159 WeakPolarHBondContact O-CB 3.36Å; K155-S159 PolarHBondContact O-N 2.94Å; K155-S159 PolarHBondContact O-OG 3.41Å
156	L	95	Very high	93.5	Very high	32 Å²	32	63.4 Å²	63.4	17%	0.168	32%	0.317	C	S	.	.	H	α-helix	trans	-65.8	-48.5	176.1	-176.7	64	0	0	0	111.5	M108 W152 M153 N154 T158 S159 W160	M108-L156 HydrophobicContact CB-CD2 4.37Å; M108-L156 HydrophobicContact CE-CD2 4.11Å; W152-L156 HydrophobicContact CH2-CD2 4.36Å; W152-L156 HydrophobicContact CZ2-CD2 4.44Å; W152-L156 PolarHBondContact O-N 3.05Å; M153-L156 WeakPolarHBondContact O-CB 3.5Å; M153-L156 PolarHBondContact O-N 3.46Å; M153-L156 VanDerWaalsContact O-N 3.14Å; N154-L156 VanDerWaalsContact C-N 3.26Å; N154-L156 PolarHBondContact O-N 2.82Å; L156-T158 PolarHBondContact O-N 3.25Å; L156-S159 WeakPolarHBondContact O-CB 3.43Å; L156-S159 PolarHBondContact O-N 3.11Å; L156-W160 VanDerWaalsContact O-CD1 3.32Å; L156-W160 PolarHBondContact O-N 2.96Å
157	V	95.5	Very high	93.9	Very high	8 Å²	8	62.1 Å²	62.1	5%	0.048	31%	0.307	C	S	.	.	H	α-helix	trans	-57.6	-48.9	176.4	173.7	0	0	0	0	110.9	M108 L134 M153 N154 S159 W160 R161	M108-V157 HydrophobicContact CE-CG2 4.5Å; L134-V157 HydrophobicContact CD2-CG2 4.3Å; L134-V157 HydrophobicContact CG-CG2 4.02Å; M153-V157 WeakPolarHBondContact O-CG2 3.33Å; M153-V157 PolarHBondContact O-N 3.43Å; N154-V157 PolarHBondContact O-N 3.47Å; V157-S159 VanDerWaalsContact C-N 3.29Å; V157-S159 PolarHBondContact O-N 3.27Å; V157-W160 PolarHBondContact O-N 2.91Å; V157-R161 HydrophobicContact CG1-CG 4.25Å; V157-R161 WeakPolarHBondContact O-CG 3.21Å; V157-R161 PolarHBondContact O-N 2.85Å
158	T	94.9	Very high	94.3	Very high	89 Å²	89	52.4 Å²	52.4	55%	0.546	27%	0.271	S	S	.	.	H	α-helix	trans	-59.9	-39.4	178.1	-60.5	0	0	0	0	111.9	N154 L156 R161 Q162	N154-T158 WeakPolarHBondContact O-CB 3.39Å; N154-T158 PolarHBondContact O-N 3.42Å; N154-T158 PolarHBondContact O-OG1 2.97Å; L156-T158 PolarHBondContact O-N 3.25Å; T158-R161 PolarHBondContact O-N 2.91Å; T158-Q162 WeakPolarHBondContact O-CB 3.47Å; T158-Q162 PolarHBondContact O-N 2.82Å
159	S	95.1	Very high	94.6	Very high	69 Å²	69	48.7 Å²	48.7	48%	0.483	25%	0.249	S	C	.	.	H	α-helix	trans	-63.5	-44	177.7	-57.8	0	0	0	0	111.4	K155 L156 V157 L163	K155-S159 WeakPolarHBondContact O-CB 3.36Å; K155-S159 PolarHBondContact O-N 2.94Å; K155-S159 PolarHBondContact O-OG 3.41Å; L156-S159 WeakPolarHBondContact O-CB 3.43Å; L156-S159 PolarHBondContact O-N 3.11Å; V157-S159 VanDerWaalsContact C-N 3.29Å; V157-S159 PolarHBondContact O-N 3.27Å; S159-L163 PolarHBondContact O-N 2.98Å; S159-L163 VanDerWaalsContact O-N 3.12Å
160	W	96.2	Very high	94.8	Very high	31 Å²	31	53.1 Å²	53.1	12%	0.117	27%	0.272	C	S	.	.	H	α-helix	trans	-65.4	-48.6	174.9	-76.1	119.1	0	0	0	111.9	S112 I115 S116 I119 L131 L134 L156 V157 Q162 L163 F164	S112-W160 WeakPolarHBondContact O-CZ2 3.32Å; S112-W160 WeakPolarHBondContact OG-CZ2 3.45Å; S112-W160 PolarHBondContact OG-NE1 3.35Å; S112-W160 VanDerWaalsContact OG-NE1 3.11Å; I115-W160 HydrophobicContact CB-CZ2 4.44Å; I115-W160 HydrophobicContact CD1-CD2 4.47Å; I115-W160 HydrophobicContact CD1-CG 4.35Å; I115-W160 HydrophobicContact CG2-CD2 3.89Å; I115-W160 HydrophobicContact CG2-CE3 3.56Å; I115-W160 HydrophobicContact CG2-CH2 4.01Å; I115-W160 HydrophobicContact CG2-CZ2 4.28Å; I115-W160 HydrophobicContact CG2-CZ3 3.63Å; S116-W160 WeakPolarHBondContact OG-CH2 3.34Å; S116-W160 WeakPolarHBondContact OG-CZ2 3.38Å; I119-W160 HydrophobicContact CD1-CE3 4.39Å; I119-W160 HydrophobicContact CD1-CZ3 3.85Å; L131-W160 HydrophobicContact CD1-CB 3.73Å; L134-W160 HydrophobicContact CD2-CG 4.5Å; L156-W160 VanDerWaalsContact O-CD1 3.32Å; L156-W160 PolarHBondContact O-N 2.96Å; V157-W160 PolarHBondContact O-N 2.91Å; W160-Q162 VanDerWaalsContact C-N 3.27Å; W160-Q162 PolarHBondContact O-N 3.48Å; W160-L163 HydrophobicContact CE3-CD2 3.73Å; W160-L163 HydrophobicContact CZ3-CD2 3.48Å; W160-L163 VanDerWaalsContact CZ3-CD2 3.48Å; W160-L163 WeakPolarHBondContact O-CB 3.45Å; W160-L163 PolarHBondContact O-N 2.98Å; W160-F164 HydrophobicContact CE3-CE2 4.49Å; W160-F164 WeakPolarHBondContact O-CD2 3.47Å; W160-F164 PolarHBondContact O-N 3.05Å
161	R	95.8	Very high	94.9	Very high	62 Å²	62	50.9 Å²	50.9	23%	0.234	26%	0.263	C	S	.	.	H	α-helix	trans	-54	-44.9	176.1	-72.9	-177.8	179	-168.2	2.8	111.7	L131 V157 T158 L163 F164 V165 C214	L131-R161 HydrophobicContact CD2-CG 4.35Å; V157-R161 HydrophobicContact CG1-CG 4.25Å; V157-R161 WeakPolarHBondContact O-CG 3.21Å; V157-R161 PolarHBondContact O-N 2.85Å; T158-R161 PolarHBondContact O-N 2.91Å; R161-L163 VanDerWaalsContact C-N 3.33Å; R161-L163 PolarHBondContact O-N 2.94Å; R161-F164 PolarHBondContact O-N 3Å; R161-V165 WeakPolarHBondContact O-CG2 3.48Å; R161-V165 PolarHBondContact O-N 3.5Å; R161-C214 HydrophobicContact CB-CB 4.24Å; R161-C214 HydrophobicContact CG-CB 4.27Å
162	Q	95.8	Very high	95	Very high	88 Å²	88	48.1 Å²	48.1	41%	0.411	24%	0.24	S	C	.	.	H	α-helix	trans	-62.6	-39.2	177.6	-171.8	62.5	53.1	0	0	112.5	T158 W160 V165 N166	T158-Q162 WeakPolarHBondContact O-CB 3.47Å; T158-Q162 PolarHBondContact O-N 2.82Å; W160-Q162 VanDerWaalsContact C-N 3.27Å; W160-Q162 PolarHBondContact O-N 3.48Å; Q162-V165 PolarHBondContact O-N 3.08Å; Q162-N166 PolarHBondContact NE2-OD1 3.13Å; Q162-N166 WeakPolarHBondContact O-CB 3.46Å; Q162-N166 PolarHBondContact O-N 3.2Å; Q162-N166 PolarHBondContact O-ND2 2.93Å; Q162-N166 PolarHBondContact O-OD1 3.22Å
163	L	95.6	Very high	95	Very high	66 Å²	66	44.7 Å²	44.7	35%	0.346	23%	0.231	S	C	.	.	H	α-helix	trans	-61	-49.1	174.3	179.8	69.3	0	0	0	111.1	I119 S159 W160 R161 V165 N166 V167	I119-L163 HydrophobicContact CD1-CD2 3.96Å; S159-L163 PolarHBondContact O-N 2.98Å; S159-L163 VanDerWaalsContact O-N 3.12Å; W160-L163 HydrophobicContact CE3-CD2 3.73Å; W160-L163 HydrophobicContact CZ3-CD2 3.48Å; W160-L163 VanDerWaalsContact CZ3-CD2 3.48Å; W160-L163 WeakPolarHBondContact O-CB 3.45Å; W160-L163 PolarHBondContact O-N 2.98Å; R161-L163 VanDerWaalsContact C-N 3.33Å; R161-L163 PolarHBondContact O-N 2.94Å; L163-V165 VanDerWaalsContact C-N 3.34Å; L163-V165 PolarHBondContact O-N 2.83Å; L163-N166 PolarHBondContact O-N 3.09Å; L163-V167 HydrophobicContact CD1-CG2 4.33Å; L163-V167 HydrophobicContact CG-CG2 4.48Å; L163-V167 WeakPolarHBondContact O-CG2 3.35Å; L163-V167 PolarHBondContact O-N 3.35Å
164	F	95.8	Very high	94.9	Very high	1 Å²	1	49 Å²	49	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-42.3	179.6	-85.6	-103	0	0	0	111.9	I115 I119 W124 A127 T128 L131 W160 R161 N166 V167 A168 A210	I115-F164 HydrophobicContact CG2-CE2 3.93Å; I115-F164 HydrophobicContact CG2-CZ 4.27Å; I119-F164 HydrophobicContact CD1-CE2 4Å; I119-F164 HydrophobicContact CD1-CZ 4.24Å; W124-F164 HydrophobicContact CE3-CD1 4.39Å; W124-F164 HydrophobicContact CE3-CE1 4.03Å; W124-F164 HydrophobicContact CZ3-CD1 4.39Å; W124-F164 HydrophobicContact CZ3-CE1 4.24Å; A127-F164 HydrophobicContact CB-CE1 4.28Å; A127-F164 HydrophobicContact CB-CZ 3.8Å; T128-F164 WeakPolarHBondContact OG1-CE1 3.12Å; L131-F164 HydrophobicContact CD2-CD1 4.45Å; L131-F164 HydrophobicContact CD2-CD2 3.77Å; L131-F164 HydrophobicContact CD2-CE2 3.97Å; L131-F164 HydrophobicContact CD2-CG 4Å; L131-F164 HydrophobicContact CD2-CZ 4.37Å; W160-F164 HydrophobicContact CE3-CE2 4.49Å; W160-F164 WeakPolarHBondContact O-CD2 3.47Å; W160-F164 PolarHBondContact O-N 3.05Å; R161-F164 PolarHBondContact O-N 3Å; F164-N166 PolarHBondContact O-N 2.98Å; F164-V167 PolarHBondContact O-N 3.05Å; F164-A168 VanDerWaalsContact O-CB 3.26Å; F164-A168 WeakPolarHBondContact O-CB 3.37Å; F164-A168 PolarHBondContact O-N 2.89Å; F164-A210 HydrophobicContact CD1-CB 3.88Å
165	V	95.7	Very high	94.9	Very high	6 Å²	6	46.9 Å²	46.9	4%	0.036	24%	0.24	C	C	.	.	H	α-helix	trans	-60.9	-44.9	175.4	172.4	0	0	0	0	111.2	R161 Q162 L163 V167 A168 E169 L211 C214 R216 M223	R161-V165 WeakPolarHBondContact O-CG2 3.48Å; R161-V165 PolarHBondContact O-N 3.5Å; Q162-V165 PolarHBondContact O-N 3.08Å; L163-V165 VanDerWaalsContact C-N 3.34Å; L163-V165 PolarHBondContact O-N 2.83Å; V165-V167 PolarHBondContact O-N 3.38Å; V165-A168 PolarHBondContact O-N 2.93Å; V165-E169 PolarHBondContact O-N 2.92Å; V165-L211 HydrophobicContact CG1-CD1 4.41Å; V165-L211 HydrophobicContact CG2-CD1 4.19Å; V165-C214 HydrophobicContact CG2-CB 3.86Å; V165-R216 HydrophobicContact CG2-CB 4.1Å; V165-R216 HydrophobicContact CG2-CG 3.78Å; V165-M223 HydrophobicContact CG1-CE 3.8Å
166	N	95.5	Very high	94.8	Very high	74 Å²	74	39.7 Å²	39.7	40%	0.396	21%	0.209	S	C	.	.	H	α-helix	trans	-63.3	-41.6	178.3	-68.9	-9.4	0	0	0	112	Q162 L163 F164 I170	Q162-N166 PolarHBondContact NE2-OD1 3.13Å; Q162-N166 WeakPolarHBondContact O-CB 3.46Å; Q162-N166 PolarHBondContact O-N 3.2Å; Q162-N166 PolarHBondContact O-ND2 2.93Å; Q162-N166 PolarHBondContact O-OD1 3.22Å; L163-N166 PolarHBondContact O-N 3.09Å; F164-N166 PolarHBondContact O-N 2.98Å; N166-I170 WeakPolarHBondContact O-CG1 3.49Å; N166-I170 PolarHBondContact O-N 3.4Å
167	V	94.9	Very high	94.5	Very high	30 Å²	30	41.3 Å²	41.3	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-70.5	-40.8	178.1	179.9	0	0	0	0	110.7	W124 L163 F164 V165 E169 I170 V171 F207	W124-V167 HydrophobicContact CH2-CB 4.23Å; W124-V167 HydrophobicContact CH2-CG1 3.78Å; W124-V167 HydrophobicContact CH2-CG2 3.96Å; W124-V167 HydrophobicContact CZ2-CG1 4.04Å; W124-V167 HydrophobicContact CZ3-CB 4.46Å; W124-V167 HydrophobicContact CZ3-CG1 4.2Å; W124-V167 HydrophobicContact CZ3-CG2 4.49Å; L163-V167 HydrophobicContact CD1-CG2 4.33Å; L163-V167 HydrophobicContact CG-CG2 4.48Å; L163-V167 WeakPolarHBondContact O-CG2 3.35Å; L163-V167 PolarHBondContact O-N 3.35Å; F164-V167 PolarHBondContact O-N 3.05Å; V165-V167 PolarHBondContact O-N 3.38Å; V167-E169 VanDerWaalsContact C-N 3.3Å; V167-E169 PolarHBondContact O-N 2.88Å; V167-I170 PolarHBondContact O-N 3.15Å; V167-V171 HydrophobicContact CG1-CG2 4.09Å; V167-V171 WeakPolarHBondContact O-CG2 3.48Å; V167-V171 PolarHBondContact O-N 2.79Å; V167-F207 HydrophobicContact CB-CE1 4.06Å; V167-F207 HydrophobicContact CG1-CD1 4.3Å; V167-F207 HydrophobicContact CG1-CE1 3.39Å; V167-F207 HydrophobicContact CG1-CZ 3.67Å
168	A	95.2	Very high	94.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.4	-44.5	175.7	0	0	0	0	0	111.2	F164 V165 I170 V171 I172 F207	F164-A168 VanDerWaalsContact O-CB 3.26Å; F164-A168 WeakPolarHBondContact O-CB 3.37Å; F164-A168 PolarHBondContact O-N 2.89Å; V165-A168 PolarHBondContact O-N 2.93Å; A168-I170 PolarHBondContact O-N 3.48Å; A168-V171 PolarHBondContact O-N 3.07Å; A168-I172 HydrophobicContact CB-CD1 4.47Å; A168-I172 VanDerWaalsContact O-CB 3.27Å; A168-I172 WeakPolarHBondContact O-CB 3.11Å; A168-I172 WeakPolarHBondContact O-CG1 3.49Å; A168-I172 PolarHBondContact O-N 3.26Å; A168-F207 HydrophobicContact CB-CB 3.94Å; A168-F207 HydrophobicContact CB-CD1 3.96Å; A168-F207 HydrophobicContact CB-CG 4.35Å
169	E	95.3	Very high	93.9	Very high	58 Å²	58	39.7 Å²	39.7	27%	0.271	21%	0.208	S	C	.	.	H	α-helix	trans	-57	-48	175.5	179.2	179	144.3	0	0	112.5	V165 V167 S173 M223 K226	V165-E169 PolarHBondContact O-N 2.92Å; V167-E169 VanDerWaalsContact C-N 3.3Å; V167-E169 PolarHBondContact O-N 2.88Å; E169-S173 VanDerWaalsContact O-CB 3.24Å; E169-S173 WeakPolarHBondContact O-CB 3.42Å; E169-S173 PolarHBondContact O-N 3.36Å; E169-S173 PolarHBondContact O-OG 3.19Å; E169-M223 HydrophobicContact CB-CE 4Å; E169-M223 HydrophobicContact CB-CG 4.17Å; E169-M223 HydrophobicContact CB-SD 3.97Å; E169-M223 HydrophobicContact CG-CG 4.11Å; E169-K226 HydrophobicContact CG-CD 4.21Å; E169-K226 WeakPolarHBondContact OE1-CD 3.44Å; E169-K226 IonicContact OE1-NZ 2.79Å; E169-K226 PolarHBondContact OE1-NZ 3.18Å; E169-K226 IonicContact OE2-NZ 3.85Å; E169-K226 PolarHBondContact OE2-NZ 3.08Å
170	I	94.7	Very high	93.6	Very high	93 Å²	93	36.5 Å²	36.5	48%	0.477	19%	0.186	S	C	.	.	H	α-helix	trans	-61.8	-51.1	179.7	-66.4	165.8	0	0	0	109.8	N166 V167 A168 I172 S173 E174	N166-I170 WeakPolarHBondContact O-CG1 3.49Å; N166-I170 PolarHBondContact O-N 3.4Å; V167-I170 PolarHBondContact O-N 3.15Å; A168-I170 PolarHBondContact O-N 3.48Å; I170-I172 PolarHBondContact O-N 3.03Å; I170-S173 PolarHBondContact O-N 3.34Å; I170-E174 HydrophobicContact CG2-CG 4.39Å; I170-E174 WeakPolarHBondContact O-CB 3.2Å; I170-E174 WeakPolarHBondContact O-CG 3.41Å; I170-E174 PolarHBondContact O-N 2.9Å
171	V	94.5	Very high	93.4	Very high	5 Å²	5	36 Å²	36	3%	0.03	19%	0.185	C	C	.	.	H	α-helix	trans	-65.9	-42.4	-175.5	174.1	0	0	0	0	111.9	V167 A168 A175 R203 F207	V167-V171 HydrophobicContact CG1-CG2 4.09Å; V167-V171 WeakPolarHBondContact O-CG2 3.48Å; V167-V171 PolarHBondContact O-N 2.79Å; A168-V171 PolarHBondContact O-N 3.07Å; V171-A175 VanDerWaalsContact O-CB 3.27Å; V171-A175 WeakPolarHBondContact O-CB 3.23Å; V171-A175 PolarHBondContact O-N 3.26Å; V171-R203 HydrophobicContact CG1-CG 3.9Å; V171-F207 HydrophobicContact CB-CD2 3.9Å; V171-F207 HydrophobicContact CB-CE2 4.1Å; V171-F207 HydrophobicContact CB-CG 4.3Å; V171-F207 HydrophobicContact CG1-CD2 3.56Å; V171-F207 HydrophobicContact CG1-CE2 3.86Å; V171-F207 HydrophobicContact CG1-CG 4.33Å; V171-F207 HydrophobicContact CG2-CD2 4.06Å; V171-F207 HydrophobicContact CG2-CE2 3.73Å; V171-F207 HydrophobicContact CG2-CZ 3.97Å
172	I	94.5	Very high	93.1	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-65	-44.7	177.1	-68.3	168.3	0	0	0	109.6	A168 I170 E174 A175 I176 L208 L220 M223 L224	A168-I172 HydrophobicContact CB-CD1 4.47Å; A168-I172 VanDerWaalsContact O-CB 3.27Å; A168-I172 WeakPolarHBondContact O-CB 3.11Å; A168-I172 WeakPolarHBondContact O-CG1 3.49Å; A168-I172 PolarHBondContact O-N 3.26Å; I170-I172 PolarHBondContact O-N 3.03Å; I172-E174 PolarHBondContact O-N 3.48Å; I172-A175 WeakPolarHBondContact O-CB 3.27Å; I172-A175 PolarHBondContact O-N 2.99Å; I172-I176 HydrophobicContact CG2-CG1 4.45Å; I172-I176 VanDerWaalsContact O-CG1 3.3Å; I172-I176 WeakPolarHBondContact O-CG1 3.36Å; I172-I176 PolarHBondContact O-N 3.38Å; I172-L208 HydrophobicContact CD1-CD2 3.97Å; I172-L220 HydrophobicContact CD1-CD1 4.18Å; I172-M223 HydrophobicContact CD1-SD 4.35Å; I172-L224 HydrophobicContact CG2-CD2 3.65Å
173	S	93.6	Very high	92.8	Very high	22 Å²	22	32 Å²	32	15%	0.154	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-47.1	177.9	-60.1	0	0	0	0	112.1	E169 I170 A175 I176 E177	E169-S173 VanDerWaalsContact O-CB 3.24Å; E169-S173 WeakPolarHBondContact O-CB 3.42Å; E169-S173 PolarHBondContact O-N 3.36Å; E169-S173 PolarHBondContact O-OG 3.19Å; I170-S173 PolarHBondContact O-N 3.34Å; S173-A175 VanDerWaalsContact C-N 3.3Å; S173-A175 PolarHBondContact O-N 2.82Å; S173-I176 PolarHBondContact O-N 2.81Å; S173-E177 PolarHBondContact O-N 3.34Å; S173-E177 VanDerWaalsContact O-N 3.14Å
174	E	91.9	Very high	92.1	Very high	91 Å²	91	29.9 Å²	29.9	43%	0.425	15%	0.154	S	C	.	.	H	α-helix	trans	-61	-37.9	175.9	-75.3	177.4	176.4	0	0	112.1	I170 I172 E177 S178	I170-E174 HydrophobicContact CG2-CG 4.39Å; I170-E174 WeakPolarHBondContact O-CB 3.2Å; I170-E174 WeakPolarHBondContact O-CG 3.41Å; I170-E174 PolarHBondContact O-N 2.9Å; I172-E174 PolarHBondContact O-N 3.48Å; E174-E177 PolarHBondContact O-N 3.5Å; E174-S178 VanDerWaalsContact O-CB 3.25Å; E174-S178 WeakPolarHBondContact O-CB 3.26Å; E174-S178 PolarHBondContact O-N 3.44Å; E174-S178 PolarHBondContact O-OG 3.26Å
175	A	92.2	Very high	91.1	Very high	6 Å²	6	35.6 Å²	35.6	5%	0.05	18%	0.181	C	C	.	.	H	α-helix	trans	-66.1	-44.8	177.7	0	0	0	0	0	112.1	V171 I172 S173 E177 S178 L179 I200 C204	V171-A175 VanDerWaalsContact O-CB 3.27Å; V171-A175 WeakPolarHBondContact O-CB 3.23Å; V171-A175 PolarHBondContact O-N 3.26Å; I172-A175 WeakPolarHBondContact O-CB 3.27Å; I172-A175 PolarHBondContact O-N 2.99Å; S173-A175 VanDerWaalsContact C-N 3.3Å; S173-A175 PolarHBondContact O-N 2.82Å; A175-E177 VanDerWaalsContact C-N 3.31Å; A175-E177 PolarHBondContact O-N 2.95Å; A175-S178 PolarHBondContact O-N 3.17Å; A175-L179 VanDerWaalsContact O-CB 3.3Å; A175-L179 WeakPolarHBondContact O-CB 3.3Å; A175-L179 WeakPolarHBondContact O-CD1 3.47Å; A175-L179 WeakPolarHBondContact O-CG 3.39Å; A175-L179 PolarHBondContact O-N 2.87Å; A175-I200 HydrophobicContact CB-CG2 3.45Å; A175-I200 VanDerWaalsContact CB-CG2 3.45Å; A175-C204 WeakPolarHBondContact CB-SG 3.44Å
176	I	92.7	Very high	90.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.6	-41.9	176.5	-66.1	-61	0	0	0	111	I172 S173 G180 Y181 I182 L224 P227 F228 W265 L269	I172-I176 HydrophobicContact CG2-CG1 4.45Å; I172-I176 VanDerWaalsContact O-CG1 3.3Å; I172-I176 WeakPolarHBondContact O-CG1 3.36Å; I172-I176 PolarHBondContact O-N 3.38Å; S173-I176 PolarHBondContact O-N 2.81Å; I176-G180 PolarHBondContact O-N 3.49Å; I176-Y181 HydrophobicContact CD1-CD2 3.74Å; I176-Y181 HydrophobicContact CD1-CE2 4.31Å; I176-Y181 PolarHBondContact O-N 3.14Å; I176-I182 HydrophobicContact CG2-CG2 3.89Å; I176-L224 HydrophobicContact CD1-CD2 3.85Å; I176-L224 HydrophobicContact CG1-CD2 4.09Å; I176-P227 HydrophobicContact CB-CG 4.11Å; I176-P227 HydrophobicContact CG2-CB 4.04Å; I176-P227 HydrophobicContact CG2-CG 4Å; I176-F228 HydrophobicContact CG2-CD2 4.45Å; I176-F228 HydrophobicContact CG2-CE2 3.68Å; I176-F228 HydrophobicContact CG2-CZ 4.2Å; I176-W265 HydrophobicContact CD1-CE3 4.26Å; I176-W265 HydrophobicContact CD1-CZ3 3.93Å; I176-L269 HydrophobicContact CD1-CD2 4.23Å
177	E	89.3	Confident	89.3	Confident	66 Å²	66	40.2 Å²	40.2	31%	0.308	20%	0.2	S	C	.	.	H	α-helix	trans	-65.6	-46.3	174.2	-66.9	-173.7	176.2	0	0	111.5	S173 E174 A175 L179 G180 I182 P227 K230	S173-E177 PolarHBondContact O-N 3.34Å; S173-E177 VanDerWaalsContact O-N 3.14Å; E174-E177 PolarHBondContact O-N 3.5Å; A175-E177 VanDerWaalsContact C-N 3.31Å; A175-E177 PolarHBondContact O-N 2.95Å; E177-L179 PolarHBondContact O-N 2.96Å; E177-G180 PolarHBondContact O-N 3.26Å; E177-G180 VanDerWaalsContact O-N 3.11Å; E177-I182 HydrophobicContact CB-CD1 4.47Å; E177-I182 HydrophobicContact CG-CD1 3.98Å; E177-P227 HydrophobicContact CG-CB 4.02Å; E177-K230 IonicContact OE1-NZ 3.25Å; E177-K230 PolarHBondContact OE1-NZ 3.23Å
178	S	88.9	Confident	88.2	Confident	58 Å²	58	40 Å²	40	41%	0.406	20%	0.198	S	C	.	.	H	α-helix	trans	-69.2	-32.6	-176.2	-59.6	0	0	0	0	114	E174 A175 G180	E174-S178 VanDerWaalsContact O-CB 3.25Å; E174-S178 WeakPolarHBondContact O-CB 3.26Å; E174-S178 PolarHBondContact O-N 3.44Å; E174-S178 PolarHBondContact O-OG 3.26Å; A175-S178 PolarHBondContact O-N 3.17Å; S178-G180 PolarHBondContact O-N 3.02Å
179	L	89.8	Confident	87.2	Confident	5 Å²	5	46.8 Å²	46.8	3%	0.026	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.5	174.6	-68	167.5	0	0	0	112.3	A175 E177 Y181 K197 I200 L201	A175-L179 VanDerWaalsContact O-CB 3.3Å; A175-L179 WeakPolarHBondContact O-CB 3.3Å; A175-L179 WeakPolarHBondContact O-CD1 3.47Å; A175-L179 WeakPolarHBondContact O-CG 3.39Å; A175-L179 PolarHBondContact O-N 2.87Å; E177-L179 PolarHBondContact O-N 2.96Å; L179-Y181 HydrophobicContact CB-CD1 4.15Å; L179-Y181 HydrophobicContact CB-CD2 3.98Å; L179-Y181 HydrophobicContact CB-CE1 3.87Å; L179-Y181 HydrophobicContact CB-CE2 3.7Å; L179-Y181 HydrophobicContact CB-CG 4.2Å; L179-Y181 HydrophobicContact CD1-CD2 4.29Å; L179-Y181 HydrophobicContact CD1-CE2 3.46Å; L179-Y181 VanDerWaalsContact CD1-CE2 3.46Å; L179-Y181 HydrophobicContact CG-CE2 4.19Å; L179-K197 HydrophobicContact CD2-CB 4.05Å; L179-K197 HydrophobicContact CD2-CG 3.79Å; L179-I200 HydrophobicContact CD1-CG2 3.88Å; L179-I200 HydrophobicContact CD2-CB 4.17Å; L179-I200 HydrophobicContact CD2-CD1 4.05Å; L179-I200 HydrophobicContact CD2-CG2 4.16Å; L179-I200 HydrophobicContact CG-CB 4.43Å; L179-I200 HydrophobicContact CG-CD1 4.34Å; L179-I200 HydrophobicContact CG-CG2 3.88Å; L179-L201 HydrophobicContact CD1-CD2 4.03Å
180	G	88.7	Confident	86.1	Confident	3 Å²	3	48.2 Å²	48.2	3%	0.031	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	15.8	174.6	0	0	0	0	0	114.7	I176 E177 S178 I182 Y183	I176-G180 PolarHBondContact O-N 3.49Å; E177-G180 PolarHBondContact O-N 3.26Å; E177-G180 VanDerWaalsContact O-N 3.11Å; S178-G180 PolarHBondContact O-N 3.02Å; G180-I182 PolarHBondContact O-N 2.94Å; G180-Y183 PolarHBondContact O-N 3Å; G180-Y183 VanDerWaalsContact O-N 3.13Å
181	Y	90.3	Very high	84.9	Confident	21 Å²	21	48.2 Å²	48.2	8%	0.082	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.4	-174.1	-60.5	-29.5	0	0	0	114.3	I176 L179 Y183 F228 W265	I176-Y181 HydrophobicContact CD1-CD2 3.74Å; I176-Y181 HydrophobicContact CD1-CE2 4.31Å; I176-Y181 PolarHBondContact O-N 3.14Å; L179-Y181 HydrophobicContact CB-CD1 4.15Å; L179-Y181 HydrophobicContact CB-CD2 3.98Å; L179-Y181 HydrophobicContact CB-CE1 3.87Å; L179-Y181 HydrophobicContact CB-CE2 3.7Å; L179-Y181 HydrophobicContact CB-CG 4.2Å; L179-Y181 HydrophobicContact CD1-CD2 4.29Å; L179-Y181 HydrophobicContact CD1-CE2 3.46Å; L179-Y181 VanDerWaalsContact CD1-CE2 3.46Å; L179-Y181 HydrophobicContact CG-CE2 4.19Å; Y181-Y183 VanDerWaalsContact C-N 3.29Å; Y181-F228 WeakPolarHBondContact O-CE1 3.41Å; Y181-W265 HydrophobicContact CD1-CB 3.87Å; Y181-W265 HydrophobicContact CD1-CG 4.08Å; Y181-W265 HydrophobicContact CD2-CB 3.99Å; Y181-W265 AromaticContact CD2-CD2 3.88Å; Y181-W265 HydrophobicContact CD2-CD2 3.88Å; Y181-W265 AromaticContact CD2-CE3 3.89Å; Y181-W265 HydrophobicContact CD2-CE3 3.89Å; Y181-W265 AromaticContact CD2-CG 3.94Å; Y181-W265 HydrophobicContact CD2-CG 3.94Å; Y181-W265 HydrophobicContact CE1-CB 3.63Å; Y181-W265 HydrophobicContact CE1-CG 4.34Å; Y181-W265 HydrophobicContact CE2-CB 3.75Å; Y181-W265 HydrophobicContact CE2-CD2 4.32Å; Y181-W265 HydrophobicContact CE2-CE3 4.16Å; Y181-W265 HydrophobicContact CE2-CG 4.2Å; Y181-W265 HydrophobicContact CG-CB 4.05Å; Y181-W265 HydrophobicContact CG-CD2 4.14Å; Y181-W265 AromaticContact CG-CG 3.89Å; Y181-W265 HydrophobicContact CG-CG 3.89Å
182	I	90.7	Very high	83.8	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.031	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-12.8	175.2	58.5	167.3	0	0	0	113.4	I176 E177 G180 P227 F228 R231 W258	I176-I182 HydrophobicContact CG2-CG2 3.89Å; E177-I182 HydrophobicContact CB-CD1 4.47Å; E177-I182 HydrophobicContact CG-CD1 3.98Å; G180-I182 PolarHBondContact O-N 2.94Å; I182-P227 HydrophobicContact CG2-CB 3.75Å; I182-F228 HydrophobicContact CB-CD1 4.39Å; I182-F228 HydrophobicContact CB-CE1 4.31Å; I182-F228 HydrophobicContact CG2-CD1 3.9Å; I182-F228 HydrophobicContact CG2-CD2 4.04Å; I182-F228 HydrophobicContact CG2-CE1 3.87Å; I182-F228 HydrophobicContact CG2-CE2 4Å; I182-F228 HydrophobicContact CG2-CG 3.99Å; I182-F228 HydrophobicContact CG2-CZ 3.91Å; I182-R231 VanDerWaalsContact O-CD 3.25Å; I182-R231 WeakPolarHBondContact O-CD 3.29Å; I182-R231 PolarHBondContact O-NE 3.49Å; I182-W258 PolarHBondContact O-NE1 3.26Å
183	Y	88.4	Confident	82.4	Confident	60 Å²	60	59.8 Å²	59.8	24%	0.235	32%	0.316	C	S	.	.	S	Bend	trans	-103.3	146.3	-173.5	-57.2	-79.3	0	0	0	111	G180 Y181 E187 M191	G180-Y183 PolarHBondContact O-N 3Å; G180-Y183 VanDerWaalsContact O-N 3.13Å; Y181-Y183 VanDerWaalsContact C-N 3.29Å; Y183-E187 WeakPolarHBondContact CA-OE2 3.33Å; Y183-E187 HydrophobicContact CD1-CB 4.5Å; Y183-M191 HydrophobicContact CD1-CE 4.14Å; Y183-M191 HydrophobicContact CD1-SD 4.48Å; Y183-M191 HydrophobicContact CD2-CE 3.33Å; Y183-M191 HydrophobicContact CD2-SD 4.3Å; Y183-M191 HydrophobicContact CE1-CE 4.38Å; Y183-M191 HydrophobicContact CE1-SD 4.26Å; Y183-M191 HydrophobicContact CE2-CE 3.63Å; Y183-M191 HydrophobicContact CE2-SD 4.09Å; Y183-M191 HydrophobicContact CG-CE 3.61Å; Y183-M191 HydrophobicContact CG-SD 4.5Å
184	F	81.5	Confident	81.3	Confident	20 Å²	20	62.4 Å²	62.4	9%	0.088	33%	0.327	C	S	.	.			trans	-72.7	159.8	173.3	-60.1	-73.8	0	0	0	111.2	H186 E187 T188 F254 T257 W258	F184-H186 WeakPolarHBondContact CB-CE1 3.38Å; F184-H186 WeakPolarHBondContact CB-ND1 3.33Å; F184-H186 AromaticContact CG-CE1 3.95Å; F184-H186 PolarHBondContact O-N 3.03Å; F184-H186 VanDerWaalsContact O-N 3.09Å; F184-E187 HydrophobicContact CB-CG 4.36Å; F184-E187 VanDerWaalsContact CD2-OE2 3.27Å; F184-E187 WeakPolarHBondContact CD2-OE2 3.48Å; F184-E187 PolarHBondContact N-OE2 3.45Å; F184-E187 WeakPolarHBondContact O-CA 3.2Å; F184-E187 WeakPolarHBondContact O-CB 3.26Å; F184-E187 PolarHBondContact O-N 3.12Å; F184-T188 PolarHBondContact O-N 3.42Å; F184-T188 PolarHBondContact O-OG1 3.21Å; F184-F254 HydrophobicContact CD2-CE1 4.45Å; F184-F254 HydrophobicContact CD2-CZ 4.41Å; F184-F254 AromaticContact CE2-CD1 3.56Å; F184-F254 HydrophobicContact CE2-CD1 3.56Å; F184-F254 HydrophobicContact CE2-CD2 4.22Å; F184-F254 AromaticContact CE2-CE1 3.29Å; F184-F254 HydrophobicContact CE2-CE1 3.29Å; F184-F254 AromaticContact CE2-CE2 3.95Å; F184-F254 HydrophobicContact CE2-CE2 3.95Å; F184-F254 HydrophobicContact CE2-CG 4.03Å; F184-F254 AromaticContact CE2-CZ 3.48Å; F184-F254 HydrophobicContact CE2-CZ 3.48Å; F184-F254 VanDerWaalsContact CE2-CZ 3.48Å; F184-F254 HydrophobicContact CZ-CB 4.12Å; F184-F254 AromaticContact CZ-CD1 3.46Å; F184-F254 HydrophobicContact CZ-CD1 3.46Å; F184-F254 VanDerWaalsContact CZ-CD1 3.46Å; F184-F254 AromaticContact CZ-CD2 3.79Å; F184-F254 HydrophobicContact CZ-CD2 3.79Å; F184-F254 AromaticContact CZ-CE1 3.7Å; F184-F254 HydrophobicContact CZ-CE1 3.7Å; F184-F254 AromaticContact CZ-CE2 3.96Å; F184-F254 HydrophobicContact CZ-CE2 3.96Å; F184-F254 AromaticContact CZ-CG 3.51Å; F184-F254 HydrophobicContact CZ-CG 3.51Å; F184-F254 AromaticContact CZ-CZ 3.92Å; F184-F254 HydrophobicContact CZ-CZ 3.92Å; F184-T257 HydrophobicContact CD1-CG2 3.77Å; F184-T257 HydrophobicContact CE1-CG2 3.59Å; F184-W258 AromaticContact CZ-NE1 3.87Å
185	E	74.7	Confident	80.5	Confident	121 Å²	121	60.5 Å²	60.5	57%	0.565	33%	0.327	S	S	*	.	H	α-helix	trans	-56.9	-31.8	-176	-160.1	-169.5	153.3	0	0	113.6	T188 K189	E185-T188 WeakPolarHBondContact CA-OG1 3.21Å; E185-T188 PolarHBondContact O-OG1 3.06Å; E185-K189 WeakPolarHBondContact O-CB 3.48Å; E185-K189 WeakPolarHBondContact O-CD 3.29Å; E185-K189 WeakPolarHBondContact O-CG 3.43Å; E185-K189 PolarHBondContact O-N 3.44Å; E185-K189 VanDerWaalsContact O-N 3.15Å; E185-K189 VanDerWaalsContact OE1-CE 3.27Å; E185-K189 WeakPolarHBondContact OE1-CE 3.44Å; E185-K189 IonicContact OE1-NZ 2.83Å; E185-K189 PolarHBondContact OE1-NZ 3.16Å
186	H	75.1	Confident	80.1	Confident	130 Å²	130	65.6 Å²	65.6	60%	0.602	35%	0.354	S	S	*	.	H	α-helix	trans	-73.3	-33.7	176.4	65.4	-89	0	0	0	112.4	F184 A190	F184-H186 WeakPolarHBondContact CB-CE1 3.38Å; F184-H186 WeakPolarHBondContact CB-ND1 3.33Å; F184-H186 AromaticContact CG-CE1 3.95Å; F184-H186 PolarHBondContact O-N 3.03Å; F184-H186 VanDerWaalsContact O-N 3.09Å; H186-A190 PolarHBondContact O-N 2.93Å
187	E	79.1	Confident	79.9	Confident	48 Å²	48	69.7 Å²	69.7	22%	0.224	37%	0.372	C	S	.	.	H	α-helix	trans	-73.7	-41.8	176.5	-57.9	-176.7	109.9	0	0	110.9	Y183 F184 K189 A190 M191 R231	Y183-E187 WeakPolarHBondContact CA-OE2 3.33Å; Y183-E187 HydrophobicContact CD1-CB 4.5Å; F184-E187 HydrophobicContact CB-CG 4.36Å; F184-E187 VanDerWaalsContact CD2-OE2 3.27Å; F184-E187 WeakPolarHBondContact CD2-OE2 3.48Å; F184-E187 PolarHBondContact N-OE2 3.45Å; F184-E187 WeakPolarHBondContact O-CA 3.2Å; F184-E187 WeakPolarHBondContact O-CB 3.26Å; F184-E187 PolarHBondContact O-N 3.12Å; E187-K189 VanDerWaalsContact C-N 3.32Å; E187-K189 PolarHBondContact O-N 3.39Å; E187-A190 WeakPolarHBondContact O-CB 3.41Å; E187-A190 PolarHBondContact O-N 2.88Å; E187-A190 VanDerWaalsContact O-N 3.08Å; E187-M191 WeakPolarHBondContact O-CG 3.49Å; E187-M191 PolarHBondContact O-N 3.45Å; E187-R231 IonicContact OE1-CZ 2.73Å; E187-R231 IonicContact OE1-NH2 3.61Å; E187-R231 PolarHBondContact OE1-NH2 3.44Å; E187-R231 IonicContact OE2-CZ 2.91Å; E187-R231 IonicContact OE2-NH2 3.98Å; E187-R231 PolarHBondContact OE2-NH2 3.13Å
188	T	71.3	Confident	79.9	Confident	24 Å²	24	69.7 Å²	69.7	15%	0.147	38%	0.383	C	S	.	.	H	α-helix	trans	-61.9	-40.7	175.5	55.5	0	0	0	0	111.4	F184 E185 A190 M191 L194	F184-T188 PolarHBondContact O-N 3.42Å; F184-T188 PolarHBondContact O-OG1 3.21Å; E185-T188 WeakPolarHBondContact CA-OG1 3.21Å; E185-T188 PolarHBondContact O-OG1 3.06Å; T188-A190 VanDerWaalsContact C-N 3.3Å; T188-A190 PolarHBondContact O-N 2.85Å; T188-M191 HydrophobicContact CG2-CE 4.24Å; T188-M191 PolarHBondContact O-N 3.28Å; T188-L194 HydrophobicContact CG2-CD1 4.36Å
189	K	74.9	Confident	80	Confident	144 Å²	144	70.4 Å²	70.4	63%	0.626	39%	0.386	S	S	*	.	H	α-helix	trans	-60.4	-37	172.2	-75.7	170.3	-173.9	166.6	0	112.7	E185 E187	E185-K189 WeakPolarHBondContact O-CB 3.48Å; E185-K189 WeakPolarHBondContact O-CD 3.29Å; E185-K189 WeakPolarHBondContact O-CG 3.43Å; E185-K189 PolarHBondContact O-N 3.44Å; E185-K189 VanDerWaalsContact O-N 3.15Å; E185-K189 VanDerWaalsContact OE1-CE 3.27Å; E185-K189 WeakPolarHBondContact OE1-CE 3.44Å; E185-K189 IonicContact OE1-NZ 2.83Å; E185-K189 PolarHBondContact OE1-NZ 3.16Å; E187-K189 VanDerWaalsContact C-N 3.32Å; E187-K189 PolarHBondContact O-N 3.39Å
190	A	70.8	Confident	80.2	Confident	88 Å²	88	71.6 Å²	71.6	73%	0.727	39%	0.392	S	S	*	.	H	α-helix	trans	-72.5	-29.6	178.3	0	0	0	0	0	113.2	H186 E187 T188 G192	H186-A190 PolarHBondContact O-N 2.93Å; E187-A190 WeakPolarHBondContact O-CB 3.41Å; E187-A190 PolarHBondContact O-N 2.88Å; E187-A190 VanDerWaalsContact O-N 3.08Å; T188-A190 VanDerWaalsContact C-N 3.3Å; T188-A190 PolarHBondContact O-N 2.85Å; A190-G192 VanDerWaalsContact C-N 3.29Å; A190-G192 PolarHBondContact O-N 3.2Å
191	M	70.6	Confident	80.4	Confident	93 Å²	93	73 Å²	73	46%	0.458	40%	0.399	S	S	.	.	H	α-helix	trans	-73.9	-16.3	177.4	-69.5	-166.8	-64.8	0	0	113.8	Y183 E187 T188 L194	Y183-M191 HydrophobicContact CD1-CE 4.14Å; Y183-M191 HydrophobicContact CD1-SD 4.48Å; Y183-M191 HydrophobicContact CD2-CE 3.33Å; Y183-M191 HydrophobicContact CD2-SD 4.3Å; Y183-M191 HydrophobicContact CE1-CE 4.38Å; Y183-M191 HydrophobicContact CE1-SD 4.26Å; Y183-M191 HydrophobicContact CE2-CE 3.63Å; Y183-M191 HydrophobicContact CE2-SD 4.09Å; Y183-M191 HydrophobicContact CG-CE 3.61Å; Y183-M191 HydrophobicContact CG-SD 4.5Å; E187-M191 WeakPolarHBondContact O-CG 3.49Å; E187-M191 PolarHBondContact O-N 3.45Å; T188-M191 HydrophobicContact CG2-CE 4.24Å; T188-M191 PolarHBondContact O-N 3.28Å; M191-L194 HydrophobicContact CE-CD2 4.24Å
192	G	69.8	Low	80.5	Confident	49 Å²	49	80.5 Å²	80.5	51%	0.505	43%	0.427	S	S	.	.			trans	86.5	-133.5	179.2	0	0	0	0	0	113.3	A190 L194	A190-G192 VanDerWaalsContact C-N 3.29Å; A190-G192 PolarHBondContact O-N 3.2Å; G192-L194 PolarHBondContact O-N 3.38Å
193	Q	65.4	Low	80.5	Confident	201 Å²	201	86 Å²	86	94%	0.939	45%	0.447	S	S	*	.	S	Bend	trans	-76.2	110.2	179.4	-85.8	-179.4	-21.2	0	0	110.7
194	L	70.7	Confident	80.8	Confident	76 Å²	76	83.2 Å²	83.2	40%	0.398	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-61.2	155.1	163.5	-73.6	162.2	0	0	0	110.3	T188 M191 G192	T188-L194 HydrophobicContact CG2-CD1 4.36Å; M191-L194 HydrophobicContact CE-CD2 4.24Å; G192-L194 PolarHBondContact O-N 3.38Å
195	A	74.9	Confident	81.4	Confident	51 Å²	51	83.9 Å²	83.9	42%	0.421	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-58.8	152.9	178.3	0	0	0	0	0	111.6	K197 I200	A195-K197 PolarHBondContact O-N 3.04Å; A195-K197 VanDerWaalsContact O-N 3.15Å; A195-I200 HydrophobicContact CB-CD1 3.56Å
196	D	83.4	Confident	82.3	Confident	114 Å²	114	79.9 Å²	79.9	61%	0.61	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-57.9	121.4	174.5	-176.1	4.8	0	0	0	109.7	A198 P199	D196-A198 PolarHBondContact O-N 3.03Å; D196-A198 PolarHBondContact OD1-N 2.83Å; D196-P199 HydrophobicContact CB-CG 4.04Å; D196-P199 VanDerWaalsContact CG-CD 3.49Å; D196-P199 VanDerWaalsContact O-CD 3.29Å; D196-P199 WeakPolarHBondContact O-CD 3.44Å; D196-P199 WeakPolarHBondContact O-CG 3.39Å
197	K	88.8	Confident	83.3	Confident	86 Å²	86	73.8 Å²	73.8	37%	0.374	40%	0.396	S	S	.	.	H	α-helix	trans	-65.3	-40.9	-173.6	-69.5	-167.9	167.1	-169.1	0	111.8	L179 A195 I200 L201 E268	L179-K197 HydrophobicContact CD2-CB 4.05Å; L179-K197 HydrophobicContact CD2-CG 3.79Å; A195-K197 PolarHBondContact O-N 3.04Å; A195-K197 VanDerWaalsContact O-N 3.15Å; K197-I200 PolarHBondContact O-N 3.48Å; K197-L201 HydrophobicContact CB-CD1 4.3Å; K197-L201 WeakPolarHBondContact O-CG 3.44Å; K197-L201 PolarHBondContact O-N 3.35Å; K197-E268 IonicContact NZ-OE1 3.79Å; K197-E268 IonicContact NZ-OE2 2.69Å; K197-E268 PolarHBondContact NZ-OE2 3.21Å
198	A	90.5	Very high	84.1	Confident	65 Å²	65	71.6 Å²	71.6	54%	0.537	39%	0.386	S	S	.	.	H	α-helix	trans	-57.6	-49.9	-170.7	0	0	0	0	0	114.4	D196 I200 L201 R202	D196-A198 PolarHBondContact O-N 3.03Å; D196-A198 PolarHBondContact OD1-N 2.83Å; A198-I200 VanDerWaalsContact C-N 3.32Å; A198-I200 PolarHBondContact O-N 2.71Å; A198-L201 PolarHBondContact O-N 2.94Å; A198-R202 WeakPolarHBondContact O-CB 3.21Å; A198-R202 PolarHBondContact O-N 3.23Å
199	P	91.4	Very high	85.2	Confident	74 Å²	74	72.7 Å²	72.7	48%	0.481	39%	0.393	S	S	.	.	H	α-helix	trans	-66	-33.2	178.2	24.8	-34.8	0	0	0	113	D196 R203	D196-P199 HydrophobicContact CB-CG 4.04Å; D196-P199 VanDerWaalsContact CG-CD 3.49Å; D196-P199 VanDerWaalsContact O-CD 3.29Å; D196-P199 WeakPolarHBondContact O-CD 3.44Å; D196-P199 WeakPolarHBondContact O-CG 3.39Å; P199-R203 WeakPolarHBondContact O-CB 3.3Å; P199-R203 PolarHBondContact O-N 3.49Å; P199-R203 VanDerWaalsContact O-N 3.08Å
200	I	92.4	Very high	86.1	Confident	29 Å²	29	65.8 Å²	65.8	15%	0.149	36%	0.363	C	S	.	.	H	α-helix	trans	-69.1	-48.9	178.4	-61.3	172	0	0	0	110	A175 L179 A195 K197 A198 R202 R203 C204	A175-I200 HydrophobicContact CB-CG2 3.45Å; A175-I200 VanDerWaalsContact CB-CG2 3.45Å; L179-I200 HydrophobicContact CD1-CG2 3.88Å; L179-I200 HydrophobicContact CD2-CB 4.17Å; L179-I200 HydrophobicContact CD2-CD1 4.05Å; L179-I200 HydrophobicContact CD2-CG2 4.16Å; L179-I200 HydrophobicContact CG-CB 4.43Å; L179-I200 HydrophobicContact CG-CD1 4.34Å; L179-I200 HydrophobicContact CG-CG2 3.88Å; A195-I200 HydrophobicContact CB-CD1 3.56Å; K197-I200 PolarHBondContact O-N 3.48Å; A198-I200 VanDerWaalsContact C-N 3.32Å; A198-I200 PolarHBondContact O-N 2.71Å; I200-R202 VanDerWaalsContact C-N 3.35Å; I200-R202 PolarHBondContact O-N 3Å; I200-R203 WeakPolarHBondContact O-CB 3.25Å; I200-R203 PolarHBondContact O-N 3.3Å; I200-R203 VanDerWaalsContact O-N 3.11Å; I200-C204 PolarHBondContact O-N 3.04Å; I200-C204 PolarHBondContact O-SG 3.28Å
201	L	93.3	Very high	87.3	Confident	34 Å²	34	61.6 Å²	61.6	18%	0.178	33%	0.328	C	S	.	.	H	α-helix	trans	-60.2	-44.5	177.9	-68.5	176.7	0	0	0	111.3	L179 K197 A198 R203 C204 T205 L269	L179-L201 HydrophobicContact CD1-CD2 4.03Å; K197-L201 HydrophobicContact CB-CD1 4.3Å; K197-L201 WeakPolarHBondContact O-CG 3.44Å; K197-L201 PolarHBondContact O-N 3.35Å; A198-L201 PolarHBondContact O-N 2.94Å; L201-R203 VanDerWaalsContact C-N 3.27Å; L201-R203 PolarHBondContact O-N 3.35Å; L201-C204 WeakPolarHBondContact O-CA 3.24Å; L201-C204 WeakPolarHBondContact O-CB 3.27Å; L201-C204 PolarHBondContact O-N 3.14Å; L201-C204 VanDerWaalsContact O-N 3.08Å; L201-T205 PolarHBondContact O-N 3Å; L201-T205 PolarHBondContact O-OG1 3.44Å; L201-T205 VanDerWaalsContact O-OG1 3.06Å; L201-L269 HydrophobicContact CD2-CD1 3.96Å
202	R	92.1	Very high	88.4	Confident	178 Å²	178	60.1 Å²	60.1	67%	0.672	32%	0.32	S	S	*	.	H	α-helix	trans	-58.5	-39.9	174.9	-175.2	178	-179.7	-177.2	0.3	112.2	A198 I200 T205 I206	A198-R202 WeakPolarHBondContact O-CB 3.21Å; A198-R202 PolarHBondContact O-N 3.23Å; I200-R202 VanDerWaalsContact C-N 3.35Å; I200-R202 PolarHBondContact O-N 3Å; R202-T205 WeakPolarHBondContact O-CB 3.27Å; R202-T205 PolarHBondContact O-N 2.97Å; R202-I206 PolarHBondContact O-N 2.87Å
203	R	92.4	Very high	89.5	Confident	122 Å²	122	59.3 Å²	59.3	46%	0.46	31%	0.305	S	S	.	.	H	α-helix	trans	-66.3	-41.7	175.9	-169.2	179.3	177.2	-168.7	-5.1	110.9	V171 P199 I200 L201 I206 F207	V171-R203 HydrophobicContact CG1-CG 3.9Å; P199-R203 WeakPolarHBondContact O-CB 3.3Å; P199-R203 PolarHBondContact O-N 3.49Å; P199-R203 VanDerWaalsContact O-N 3.08Å; I200-R203 WeakPolarHBondContact O-CB 3.25Å; I200-R203 PolarHBondContact O-N 3.3Å; I200-R203 VanDerWaalsContact O-N 3.11Å; L201-R203 VanDerWaalsContact C-N 3.27Å; L201-R203 PolarHBondContact O-N 3.35Å; R203-I206 PolarHBondContact O-N 3.46Å; R203-F207 HydrophobicContact CG-CD2 4.37Å; R203-F207 HydrophobicContact CG-CE2 4.22Å; R203-F207 WeakPolarHBondContact O-CD2 3.49Å; R203-F207 PolarHBondContact O-N 3.24Å
204	C	94.1	Very high	90.8	Very high	1 Å²	1	50 Å²	50	1%	0.007	26%	0.262	C	S	.	.	H	α-helix	trans	-59.3	-44.8	173.9	-70.9	0	0	0	0	112.2	A175 I200 L201 I206 F207 L208 L269	A175-C204 WeakPolarHBondContact CB-SG 3.44Å; I200-C204 PolarHBondContact O-N 3.04Å; I200-C204 PolarHBondContact O-SG 3.28Å; L201-C204 WeakPolarHBondContact O-CA 3.24Å; L201-C204 WeakPolarHBondContact O-CB 3.27Å; L201-C204 PolarHBondContact O-N 3.14Å; L201-C204 VanDerWaalsContact O-N 3.08Å; C204-I206 VanDerWaalsContact C-N 3.27Å; C204-I206 PolarHBondContact O-N 3.26Å; C204-F207 CarbonylContact O-C 3.55Å; C204-F207 PolarHBondContact O-N 3.11Å; C204-L208 HydrophobicContact CB-CD1 4.45Å; C204-L208 VanDerWaalsContact O-CG 3.29Å; C204-L208 WeakPolarHBondContact O-CG 3.3Å; C204-L208 PolarHBondContact O-N 3.46Å; C204-L269 HydrophobicContact CB-CD1 3.72Å
205	T	94.6	Very high	91.9	Very high	34 Å²	34	52.2 Å²	52.2	21%	0.209	27%	0.274	C	S	.	.	H	α-helix	trans	-49.1	-48.5	176.7	-55.7	0	0	0	0	111.8	L201 R202 F207 L208 T209 S272 V273	L201-T205 PolarHBondContact O-N 3Å; L201-T205 PolarHBondContact O-OG1 3.44Å; L201-T205 VanDerWaalsContact O-OG1 3.06Å; R202-T205 WeakPolarHBondContact O-CB 3.27Å; R202-T205 PolarHBondContact O-N 2.97Å; T205-F207 VanDerWaalsContact C-N 3.33Å; T205-F207 PolarHBondContact O-N 3.42Å; T205-L208 PolarHBondContact O-N 3.16Å; T205-T209 PolarHBondContact O-N 2.87Å; T205-T209 PolarHBondContact O-OG1 3.28Å; T205-T209 VanDerWaalsContact O-OG1 3.06Å; T205-S272 WeakPolarHBondContact CB-OG 3.47Å; T205-S272 WeakPolarHBondContact CG2-OG 3.45Å; T205-S272 PolarHBondContact OG1-OG 3.42Å; T205-V273 HydrophobicContact CG2-CG1 3.97Å
206	I	93.6	Very high	92.8	Very high	37 Å²	37	54 Å²	54	19%	0.19	27%	0.27	C	S	.	.	H	α-helix	trans	-58.6	-45.3	-180	-62.4	167.4	0	0	0	111	W124 E125 R202 R203 C204 T209 A210	W124-I206 HydrophobicContact CB-CG2 3.69Å; E125-I206 HydrophobicContact CB-CG2 4.42Å; R202-I206 PolarHBondContact O-N 2.87Å; R203-I206 PolarHBondContact O-N 3.46Å; C204-I206 VanDerWaalsContact C-N 3.27Å; C204-I206 PolarHBondContact O-N 3.26Å; I206-T209 PolarHBondContact O-N 3.4Å; I206-A210 WeakPolarHBondContact O-CB 3.34Å; I206-A210 PolarHBondContact O-N 3.48Å
207	F	95.3	Very high	93.1	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.009	26%	0.259	C	S	.	.	H	α-helix	trans	-77.9	-26.4	-178.2	-74.7	-75.6	0	0	0	113.7	W124 V167 A168 V171 R203 C204 T205 A210 L211	W124-F207 HydrophobicContact CB-CZ 4.29Å; W124-F207 AromaticContact CD2-CE1 3.9Å; W124-F207 HydrophobicContact CD2-CE1 3.9Å; W124-F207 AromaticContact CD2-CZ 3.51Å; W124-F207 HydrophobicContact CD2-CZ 3.51Å; W124-F207 AromaticContact CE2-CZ 3.84Å; W124-F207 AromaticContact CE3-CE1 3.68Å; W124-F207 HydrophobicContact CE3-CE1 3.68Å; W124-F207 AromaticContact CE3-CZ 3.82Å; W124-F207 HydrophobicContact CE3-CZ 3.82Å; W124-F207 HydrophobicContact CG-CE1 4.4Å; W124-F207 HydrophobicContact CG-CE2 4.35Å; W124-F207 AromaticContact CG-CZ 3.72Å; W124-F207 HydrophobicContact CG-CZ 3.72Å; W124-F207 HydrophobicContact CZ2-CZ 4.42Å; W124-F207 HydrophobicContact CZ3-CE1 4.06Å; W124-F207 HydrophobicContact CZ3-CZ 4.39Å; V167-F207 HydrophobicContact CB-CE1 4.06Å; V167-F207 HydrophobicContact CG1-CD1 4.3Å; V167-F207 HydrophobicContact CG1-CE1 3.39Å; V167-F207 HydrophobicContact CG1-CZ 3.67Å; A168-F207 HydrophobicContact CB-CB 3.94Å; A168-F207 HydrophobicContact CB-CD1 3.96Å; A168-F207 HydrophobicContact CB-CG 4.35Å; V171-F207 HydrophobicContact CB-CD2 3.9Å; V171-F207 HydrophobicContact CB-CE2 4.1Å; V171-F207 HydrophobicContact CB-CG 4.3Å; V171-F207 HydrophobicContact CG1-CD2 3.56Å; V171-F207 HydrophobicContact CG1-CE2 3.86Å; V171-F207 HydrophobicContact CG1-CG 4.33Å; V171-F207 HydrophobicContact CG2-CD2 4.06Å; V171-F207 HydrophobicContact CG2-CE2 3.73Å; V171-F207 HydrophobicContact CG2-CZ 3.97Å; R203-F207 HydrophobicContact CG-CD2 4.37Å; R203-F207 HydrophobicContact CG-CE2 4.22Å; R203-F207 WeakPolarHBondContact O-CD2 3.49Å; R203-F207 PolarHBondContact O-N 3.24Å; C204-F207 CarbonylContact O-C 3.55Å; C204-F207 PolarHBondContact O-N 3.11Å; T205-F207 VanDerWaalsContact C-N 3.33Å; T205-F207 PolarHBondContact O-N 3.42Å; F207-A210 PolarHBondContact O-N 3.47Å; F207-L211 WeakPolarHBondContact O-CB 3.15Å; F207-L211 PolarHBondContact O-N 3.48Å
208	L	95.9	Very high	93.2	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-67.1	-44	169.9	-69.1	169	0	0	0	110.6	I172 C204 T205 A210 L211 H212 L220 L269 L270 V273 Y277	I172-L208 HydrophobicContact CD1-CD2 3.97Å; C204-L208 HydrophobicContact CB-CD1 4.45Å; C204-L208 VanDerWaalsContact O-CG 3.29Å; C204-L208 WeakPolarHBondContact O-CG 3.3Å; C204-L208 PolarHBondContact O-N 3.46Å; T205-L208 PolarHBondContact O-N 3.16Å; L208-A210 VanDerWaalsContact C-N 3.33Å; L208-A210 PolarHBondContact O-N 2.72Å; L208-L211 PolarHBondContact O-N 3.48Å; L208-H212 PolarHBondContact O-N 2.85Å; L208-L220 HydrophobicContact CD2-CD1 3.45Å; L208-L220 VanDerWaalsContact CD2-CD1 3.45Å; L208-L220 HydrophobicContact CD2-CD2 3.91Å; L208-L220 HydrophobicContact CD2-CG 4.33Å; L208-L269 HydrophobicContact CD1-CG 4.43Å; L208-L270 HydrophobicContact CD1-CD2 3.87Å; L208-L270 HydrophobicContact CD2-CD2 4.37Å; L208-V273 HydrophobicContact CB-CG1 4.49Å; L208-V273 HydrophobicContact CB-CG2 4.26Å; L208-V273 HydrophobicContact CD1-CG2 3.88Å; L208-Y277 HydrophobicContact CB-CE2 4.06Å; L208-Y277 HydrophobicContact CD2-CE2 4.4Å; L208-Y277 PolarHBondContact O-OH 3.22Å
209	T	94.2	Very high	93.3	Very high	47 Å²	47	51.8 Å²	51.8	29%	0.288	25%	0.247	S	C	.	.	H	α-helix	trans	-61.1	-43.4	171.9	-53.8	0	0	0	0	111.1	T205 I206 L211 H212 V213	T205-T209 PolarHBondContact O-N 2.87Å; T205-T209 PolarHBondContact O-OG1 3.28Å; T205-T209 VanDerWaalsContact O-OG1 3.06Å; I206-T209 PolarHBondContact O-N 3.4Å; T209-L211 VanDerWaalsContact C-N 3.33Å; T209-L211 PolarHBondContact O-N 2.87Å; T209-H212 WeakPolarHBondContact O-CB 3.24Å; T209-H212 PolarHBondContact O-N 3.42Å; T209-V213 WeakPolarHBondContact O-CG2 3.39Å; T209-V213 PolarHBondContact O-N 3.14Å
210	A	93.8	Very high	93.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.9	-40.8	175.9	0	0	0	0	0	112.8	T128 F164 I206 F207 L208 H212 V213 C214	T128-A210 HydrophobicContact CG2-CB 4.02Å; F164-A210 HydrophobicContact CD1-CB 3.88Å; I206-A210 WeakPolarHBondContact O-CB 3.34Å; I206-A210 PolarHBondContact O-N 3.48Å; F207-A210 PolarHBondContact O-N 3.47Å; L208-A210 VanDerWaalsContact C-N 3.33Å; L208-A210 PolarHBondContact O-N 2.72Å; A210-H212 VanDerWaalsContact C-N 3.33Å; A210-H212 PolarHBondContact O-N 3.34Å; A210-V213 PolarHBondContact O-N 2.99Å; A210-C214 WeakPolarHBondContact O-CB 3.23Å; A210-C214 PolarHBondContact O-N 3.41Å; A210-C214 PolarHBondContact O-SG 3.22Å
211	L	95.6	Very high	93.5	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.8	-39.8	177.7	-170.7	70.4	0	0	0	111.3	V165 F207 L208 T209 C214 D215 R216 L220 M223	V165-L211 HydrophobicContact CG1-CD1 4.41Å; V165-L211 HydrophobicContact CG2-CD1 4.19Å; F207-L211 WeakPolarHBondContact O-CB 3.15Å; F207-L211 PolarHBondContact O-N 3.48Å; L208-L211 PolarHBondContact O-N 3.48Å; T209-L211 VanDerWaalsContact C-N 3.33Å; T209-L211 PolarHBondContact O-N 2.87Å; L211-C214 PolarHBondContact O-N 3.28Å; L211-D215 PolarHBondContact O-N 3.29Å; L211-R216 HydrophobicContact CD1-CB 3.64Å; L211-R216 WeakPolarHBondContact CD1-O 3.27Å; L211-R216 WeakPolarHBondContact CD2-O 3.44Å; L211-R216 HydrophobicContact CG-CB 4.21Å; L211-R216 VanDerWaalsContact CG-O 3.24Å; L211-R216 WeakPolarHBondContact CG-O 3.37Å; L211-R216 PolarHBondContact O-N 2.89Å; L211-L220 HydrophobicContact CD2-CB 3.94Å; L211-L220 HydrophobicContact CD2-CD1 4.42Å; L211-M223 HydrophobicContact CD1-CE 3.75Å; L211-M223 HydrophobicContact CD1-SD 4.37Å; L211-M223 HydrophobicContact CD2-SD 4.27Å
212	H	94.5	Very high	93.5	Very high	61 Å²	61	47.8 Å²	47.8	28%	0.282	23%	0.23	S	C	.	.	H	α-helix	trans	-62	-49.4	171	170.5	20.9	0	0	0	112.1	L208 T209 A210 C214 D215 R217 I276 Y277	L208-H212 PolarHBondContact O-N 2.85Å; T209-H212 WeakPolarHBondContact O-CB 3.24Å; T209-H212 PolarHBondContact O-N 3.42Å; A210-H212 VanDerWaalsContact C-N 3.33Å; A210-H212 PolarHBondContact O-N 3.34Å; H212-C214 PolarHBondContact O-N 2.73Å; H212-D215 WeakPolarHBondContact O-CA 3.24Å; H212-D215 PolarHBondContact O-N 3.17Å; H212-R217 HydrophobicContact CB-CG 4.27Å; H212-R217 PolarHBondContact CD2-NH2 3.3Å; H212-R217 PolarHBondContact CE1-NH2 3.49Å; H212-R217 PolarHBondContact ND1-NE 2.96Å; H212-R217 PolarHBondContact ND1-NH2 2.86Å; H212-R217 VanDerWaalsContact ND1-NH2 3.16Å; H212-R217 PolarHBondContact NE2-NH2 3.37Å; H212-I276 HydrophobicContact CB-CG2 3.53Å; H212-Y277 PolarHBondContact N-OH 2.92Å
213	V	92.5	Very high	93.6	Very high	33 Å²	33	39.6 Å²	39.6	20%	0.2	20%	0.199	C	C	.	.	H	α-helix	trans	-57.6	-32.8	178.7	163.8	0	0	0	0	111.7	T128 L131 V132 T209 A210 D215	T128-V213 HydrophobicContact CG2-CB 4.27Å; T128-V213 HydrophobicContact CG2-CG2 3.97Å; L131-V213 HydrophobicContact CD2-CG1 4.44Å; L131-V213 HydrophobicContact CG-CG1 4.45Å; V132-V213 HydrophobicContact CG2-CB 4.13Å; V132-V213 HydrophobicContact CG2-CG1 3.44Å; V132-V213 VanDerWaalsContact CG2-CG1 3.44Å; V132-V213 HydrophobicContact CG2-CG2 3.51Å; T209-V213 WeakPolarHBondContact O-CG2 3.39Å; T209-V213 PolarHBondContact O-N 3.14Å; A210-V213 PolarHBondContact O-N 2.99Å; V213-D215 PolarHBondContact O-N 3.44Å
214	C	93.8	Very high	93.8	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.034	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-1.6	176.8	-65.3	0	0	0	0	113.9	R161 V165 A210 L211 H212 R216	R161-C214 HydrophobicContact CB-CB 4.24Å; R161-C214 HydrophobicContact CG-CB 4.27Å; V165-C214 HydrophobicContact CG2-CB 3.86Å; A210-C214 WeakPolarHBondContact O-CB 3.23Å; A210-C214 PolarHBondContact O-N 3.41Å; A210-C214 PolarHBondContact O-SG 3.22Å; L211-C214 PolarHBondContact O-N 3.28Å; H212-C214 PolarHBondContact O-N 2.73Å; C214-R216 VanDerWaalsContact C-N 3.32Å; C214-R216 HydrophobicContact CB-CG 4.32Å
215	D	92.3	Very high	93.9	Very high	122 Å²	122	34.2 Å²	34.2	65%	0.652	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	41	-173.6	-162.7	34.5	0	0	0	112.9	L211 H212 V213	L211-D215 PolarHBondContact O-N 3.29Å; H212-D215 WeakPolarHBondContact O-CA 3.24Å; H212-D215 PolarHBondContact O-N 3.17Å; V213-D215 PolarHBondContact O-N 3.44Å
216	R	93.7	Very high	93.9	Very high	89 Å²	89	37 Å²	37	34%	0.336	19%	0.19	S	C	.	.			trans	-123	34.9	-177.3	-66.3	-56.9	-57.5	-80.1	-1.1	112.9	V165 L211 C214 D218 A219	V165-R216 HydrophobicContact CG2-CB 4.1Å; V165-R216 HydrophobicContact CG2-CG 3.78Å; L211-R216 HydrophobicContact CD1-CB 3.64Å; L211-R216 WeakPolarHBondContact CD1-O 3.27Å; L211-R216 WeakPolarHBondContact CD2-O 3.44Å; L211-R216 HydrophobicContact CG-CB 4.21Å; L211-R216 VanDerWaalsContact CG-O 3.24Å; L211-R216 WeakPolarHBondContact CG-O 3.37Å; L211-R216 PolarHBondContact O-N 2.89Å; C214-R216 VanDerWaalsContact C-N 3.32Å; C214-R216 HydrophobicContact CB-CG 4.32Å; R216-D218 VanDerWaalsContact CA-OD1 3.3Å; R216-D218 WeakPolarHBondContact CA-OD1 3.37Å; R216-D218 IonicContact NE-OD1 2.82Å; R216-D218 PolarHBondContact O-N 3.48Å; R216-A219 HydrophobicContact CB-CB 4.47Å; R216-A219 WeakPolarHBondContact O-CB 3.47Å; R216-A219 PolarHBondContact O-N 2.93Å; R216-A219 VanDerWaalsContact O-N 3.11Å
217	R	91	Very high	93.9	Very high	99 Å²	99	35.4 Å²	35.4	37%	0.374	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-58.5	-36.3	179.4	-63.3	-176.1	-177.6	-179.4	-3.2	112.2	H212 A219 L220 I276 Y277	H212-R217 HydrophobicContact CB-CG 4.27Å; H212-R217 PolarHBondContact CD2-NH2 3.3Å; H212-R217 PolarHBondContact CE1-NH2 3.49Å; H212-R217 PolarHBondContact ND1-NE 2.96Å; H212-R217 PolarHBondContact ND1-NH2 2.86Å; H212-R217 VanDerWaalsContact ND1-NH2 3.16Å; H212-R217 PolarHBondContact NE2-NH2 3.37Å; R217-A219 PolarHBondContact O-N 2.99Å; R217-L220 WeakPolarHBondContact O-CB 3.47Å; R217-L220 PolarHBondContact O-N 2.82Å; R217-I276 PolarHBondContact NH1-O 3.3Å; R217-Y277 HydrophobicContact CB-CE1 3.76Å; R217-Y277 HydrophobicContact CG-CE1 3.89Å
218	D	90.6	Very high	94	Very high	107 Å²	107	35.3 Å²	35.3	57%	0.572	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-58.8	-24.2	176.1	66.1	-40.1	0	0	0	114	R216 L220	R216-D218 VanDerWaalsContact CA-OD1 3.3Å; R216-D218 WeakPolarHBondContact CA-OD1 3.37Å; R216-D218 IonicContact NE-OD1 2.82Å; R216-D218 PolarHBondContact O-N 3.48Å; D218-L220 VanDerWaalsContact C-N 3.34Å
219	A	92.2	Very high	93.9	Very high	12 Å²	12	36.6 Å²	36.6	10%	0.099	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-80.2	-15.8	-179.5	0	0	0	0	0	113.3	R216 R217 A221 A222 M223	R216-A219 HydrophobicContact CB-CB 4.47Å; R216-A219 WeakPolarHBondContact O-CB 3.47Å; R216-A219 PolarHBondContact O-N 2.93Å; R216-A219 VanDerWaalsContact O-N 3.11Å; R217-A219 PolarHBondContact O-N 2.99Å; A219-A221 PolarHBondContact O-N 3.29Å; A219-A222 PolarHBondContact O-N 3.4Å; A219-M223 HydrophobicContact CB-CE 3.89Å; A219-M223 WeakPolarHBondContact O-CG 3.46Å; A219-M223 PolarHBondContact O-N 2.91Å
220	L	95.3	Very high	93.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-52.2	-170.7	175.9	57.6	0	0	0	112.1	I172 L208 L211 R217 D218 A222 M223 L224 L270 Y277 V282	I172-L220 HydrophobicContact CD1-CD1 4.18Å; L208-L220 HydrophobicContact CD2-CD1 3.45Å; L208-L220 VanDerWaalsContact CD2-CD1 3.45Å; L208-L220 HydrophobicContact CD2-CD2 3.91Å; L208-L220 HydrophobicContact CD2-CG 4.33Å; L211-L220 HydrophobicContact CD2-CB 3.94Å; L211-L220 HydrophobicContact CD2-CD1 4.42Å; R217-L220 WeakPolarHBondContact O-CB 3.47Å; R217-L220 PolarHBondContact O-N 2.82Å; D218-L220 VanDerWaalsContact C-N 3.34Å; L220-A222 VanDerWaalsContact C-N 3.28Å; L220-A222 PolarHBondContact O-N 2.94Å; L220-M223 WeakPolarHBondContact O-CB 3.36Å; L220-M223 PolarHBondContact O-N 3.05Å; L220-L224 HydrophobicContact CD1-CD1 4.13Å; L220-L224 HydrophobicContact CD1-CD2 4.27Å; L220-L224 HydrophobicContact CD1-CG 3.96Å; L220-L224 HydrophobicContact CG-CD1 4.06Å; L220-L224 HydrophobicContact CG-CG 4.32Å; L220-L224 WeakPolarHBondContact O-CG 3.3Å; L220-L224 PolarHBondContact O-N 3.17Å; L220-L270 HydrophobicContact CD2-CD2 4.11Å; L220-Y277 HydrophobicContact CB-CE1 4.23Å; L220-Y277 HydrophobicContact CD2-CD1 3.51Å; L220-Y277 HydrophobicContact CD2-CE1 3.58Å; L220-Y277 HydrophobicContact CD2-CG 4.01Å; L220-V282 HydrophobicContact CD2-CG1 4.03Å; L220-V282 HydrophobicContact CD2-CG2 3.94Å; L220-V282 HydrophobicContact CG-CG1 4.25Å
221	A	93.6	Very high	93.7	Very high	3 Å²	3	42.3 Å²	42.3	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-58.7	-41.2	-178.3	0	0	0	0	0	112.4	A219 M223 L224 C225 E285	A219-A221 PolarHBondContact O-N 3.29Å; A221-M223 PolarHBondContact O-N 2.99Å; A221-L224 PolarHBondContact O-N 3.28Å; A221-C225 WeakPolarHBondContact O-CB 3.36Å; A221-C225 PolarHBondContact O-N 3.31Å; A221-E285 HydrophobicContact CB-CB 3.34Å
222	A	92.5	Very high	93.6	Very high	51 Å²	51	42.6 Å²	42.6	42%	0.421	21%	0.214	S	C	.	.	H	α-helix	trans	-64.2	-39	175.3	0	0	0	0	0	112.1	A219 L220 C225 K226	A219-A222 PolarHBondContact O-N 3.4Å; L220-A222 VanDerWaalsContact C-N 3.28Å; L220-A222 PolarHBondContact O-N 2.94Å; A222-C225 PolarHBondContact O-N 3.23Å; A222-K226 WeakPolarHBondContact O-CG 3.24Å; A222-K226 PolarHBondContact O-N 3.2Å
223	M	94.8	Very high	93.4	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.025	23%	0.225	C	C	.	.	H	α-helix	trans	-64.1	-44.2	173.9	-67.6	179	-174.7	0	0	111.6	V165 E169 I172 L211 A219 L220 A221 C225 K226 P227	V165-M223 HydrophobicContact CG1-CE 3.8Å; E169-M223 HydrophobicContact CB-CE 4Å; E169-M223 HydrophobicContact CB-CG 4.17Å; E169-M223 HydrophobicContact CB-SD 3.97Å; E169-M223 HydrophobicContact CG-CG 4.11Å; I172-M223 HydrophobicContact CD1-SD 4.35Å; L211-M223 HydrophobicContact CD1-CE 3.75Å; L211-M223 HydrophobicContact CD1-SD 4.37Å; L211-M223 HydrophobicContact CD2-SD 4.27Å; A219-M223 HydrophobicContact CB-CE 3.89Å; A219-M223 WeakPolarHBondContact O-CG 3.46Å; A219-M223 PolarHBondContact O-N 2.91Å; L220-M223 WeakPolarHBondContact O-CB 3.36Å; L220-M223 PolarHBondContact O-N 3.05Å; A221-M223 PolarHBondContact O-N 2.99Å; M223-C225 VanDerWaalsContact C-N 3.25Å; M223-C225 PolarHBondContact O-N 3.11Å; M223-K226 PolarHBondContact O-N 3.4Å; M223-P227 WeakPolarHBondContact O-CD 3.44Å
224	L	96	Very high	93.1	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-34	177.5	-65.2	176.2	0	0	0	112.2	I172 I176 L220 A221 F228 W265 L269 V282 Y286	I172-L224 HydrophobicContact CG2-CD2 3.65Å; I176-L224 HydrophobicContact CD1-CD2 3.85Å; I176-L224 HydrophobicContact CG1-CD2 4.09Å; L220-L224 HydrophobicContact CD1-CD1 4.13Å; L220-L224 HydrophobicContact CD1-CD2 4.27Å; L220-L224 HydrophobicContact CD1-CG 3.96Å; L220-L224 HydrophobicContact CG-CD1 4.06Å; L220-L224 HydrophobicContact CG-CG 4.32Å; L220-L224 WeakPolarHBondContact O-CG 3.3Å; L220-L224 PolarHBondContact O-N 3.17Å; A221-L224 PolarHBondContact O-N 3.28Å; L224-F228 WeakPolarHBondContact O-CD2 3.35Å; L224-F228 WeakPolarHBondContact O-CE2 3.3Å; L224-W265 HydrophobicContact CD1-CZ3 4.37Å; L224-W265 HydrophobicContact CD2-CZ3 4.34Å; L224-L269 HydrophobicContact CD2-CD2 3.57Å; L224-V282 HydrophobicContact CD1-CG1 3.67Å; L224-Y286 HydrophobicContact CB-CD2 4.14Å
225	C	95.4	Very high	92.6	Very high	10 Å²	10	50.4 Å²	50.4	7%	0.068	25%	0.251	C	S	.	.	H	α-helix	trans	-74.3	-25	179.5	-169.9	0	0	0	0	113.4	A221 A222 M223 F228 A229 Y286	A221-C225 WeakPolarHBondContact O-CB 3.36Å; A221-C225 PolarHBondContact O-N 3.31Å; A222-C225 PolarHBondContact O-N 3.23Å; M223-C225 VanDerWaalsContact C-N 3.25Å; M223-C225 PolarHBondContact O-N 3.11Å; C225-F228 WeakPolarHBondContact O-CB 3.43Å; C225-F228 PolarHBondContact O-N 3.15Å; C225-F228 VanDerWaalsContact O-N 3.09Å; C225-A229 PolarHBondContact O-N 2.68Å; C225-Y286 HydrophobicContact CB-CD2 4.42Å
226	K	95	Very high	92.4	Very high	92 Å²	92	44.8 Å²	44.8	40%	0.4	22%	0.22	S	C	.	.	H	α-helix	trans	-55.2	-49	-173.3	-82.1	176.1	179.8	-174.5	0	114.7	E169 A222 M223 F228 A229 K230	E169-K226 HydrophobicContact CG-CD 4.21Å; E169-K226 WeakPolarHBondContact OE1-CD 3.44Å; E169-K226 IonicContact OE1-NZ 2.79Å; E169-K226 PolarHBondContact OE1-NZ 3.18Å; E169-K226 IonicContact OE2-NZ 3.85Å; E169-K226 PolarHBondContact OE2-NZ 3.08Å; A222-K226 WeakPolarHBondContact O-CG 3.24Å; A222-K226 PolarHBondContact O-N 3.2Å; M223-K226 PolarHBondContact O-N 3.4Å; K226-F228 VanDerWaalsContact C-N 3.29Å; K226-F228 PolarHBondContact O-N 3.44Å; K226-A229 PolarHBondContact O-N 2.97Å; K226-K230 WeakPolarHBondContact O-CB 3.37Å; K226-K230 PolarHBondContact O-N 3.45Å
227	P	95	Very high	91.6	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-59.4	-39.4	176.8	-26.3	36.4	0	0	0	112.9	I176 E177 I182 M223 R231	I176-P227 HydrophobicContact CB-CG 4.11Å; I176-P227 HydrophobicContact CG2-CB 4.04Å; I176-P227 HydrophobicContact CG2-CG 4Å; E177-P227 HydrophobicContact CG-CB 4.02Å; I182-P227 HydrophobicContact CG2-CB 3.75Å; M223-P227 WeakPolarHBondContact O-CD 3.44Å; P227-R231 WeakPolarHBondContact O-CB 3.41Å; P227-R231 PolarHBondContact O-N 2.9Å
228	F	95.6	Very high	90.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.9	-45.2	177.2	-62.8	-93.3	0	0	0	111.6	I176 Y181 I182 L224 C225 K226 K230 R231 F232 W258 W265 Y286 M290	I176-F228 HydrophobicContact CG2-CD2 4.45Å; I176-F228 HydrophobicContact CG2-CE2 3.68Å; I176-F228 HydrophobicContact CG2-CZ 4.2Å; Y181-F228 WeakPolarHBondContact O-CE1 3.41Å; I182-F228 HydrophobicContact CB-CD1 4.39Å; I182-F228 HydrophobicContact CB-CE1 4.31Å; I182-F228 HydrophobicContact CG2-CD1 3.9Å; I182-F228 HydrophobicContact CG2-CD2 4.04Å; I182-F228 HydrophobicContact CG2-CE1 3.87Å; I182-F228 HydrophobicContact CG2-CE2 4Å; I182-F228 HydrophobicContact CG2-CG 3.99Å; I182-F228 HydrophobicContact CG2-CZ 3.91Å; L224-F228 WeakPolarHBondContact O-CD2 3.35Å; L224-F228 WeakPolarHBondContact O-CE2 3.3Å; C225-F228 WeakPolarHBondContact O-CB 3.43Å; C225-F228 PolarHBondContact O-N 3.15Å; C225-F228 VanDerWaalsContact O-N 3.09Å; K226-F228 VanDerWaalsContact C-N 3.29Å; K226-F228 PolarHBondContact O-N 3.44Å; F228-K230 VanDerWaalsContact C-N 3.33Å; F228-K230 PolarHBondContact O-N 3.01Å; F228-R231 CarbonylContact O-C 3.4Å; F228-R231 WeakPolarHBondContact O-CB 3.46Å; F228-R231 PolarHBondContact O-N 3.09Å; F228-R231 VanDerWaalsContact O-N 3.17Å; F228-F232 WeakPolarHBondContact O-CB 3.46Å; F228-F232 PolarHBondContact O-N 3.47Å; F228-W258 HydrophobicContact CB-CE3 4.31Å; F228-W258 HydrophobicContact CB-CZ3 4.34Å; F228-W258 HydrophobicContact CD1-CB 4.06Å; F228-W258 AromaticContact CD1-CD1 3.89Å; F228-W258 AromaticContact CD1-CD2 3.57Å; F228-W258 HydrophobicContact CD1-CD2 3.57Å; F228-W258 AromaticContact CD1-CE2 3.85Å; F228-W258 AromaticContact CD1-CE3 4Å; F228-W258 HydrophobicContact CD1-CE3 4Å; F228-W258 AromaticContact CD1-CG 3.61Å; F228-W258 HydrophobicContact CD1-CG 3.61Å; F228-W258 HydrophobicContact CD1-CZ2 4.49Å; F228-W258 HydrophobicContact CE1-CB 4.06Å; F228-W258 AromaticContact CE1-CD1 3.76Å; F228-W258 HydrophobicContact CE1-CD2 4.22Å; F228-W258 AromaticContact CE1-CG 3.78Å; F228-W258 HydrophobicContact CE1-CG 3.78Å; F228-W265 HydrophobicContact CE2-CH2 4.37Å; F228-W265 HydrophobicContact CE2-CZ2 4.14Å; F228-W265 AromaticContact CZ-CZ2 3.89Å; F228-W265 HydrophobicContact CZ-CZ2 3.89Å; F228-Y286 AromaticContact CD2-CE2 3.99Å; F228-Y286 HydrophobicContact CD2-CE2 3.99Å; F228-Y286 WeakPolarHBondContact CE1-OH 3.47Å; F228-Y286 AromaticContact CE2-CE2 3.97Å; F228-Y286 HydrophobicContact CE2-CE2 3.97Å; F228-Y286 WeakPolarHBondContact CE2-OH 3.43Å; F228-Y286 WeakPolarHBondContact CZ-OH 3.33Å; F228-M290 HydrophobicContact CB-CE 3.44Å; F228-M290 VanDerWaalsContact CB-CE 3.44Å; F228-M290 HydrophobicContact CB-SD 4.32Å; F228-M290 HydrophobicContact CD1-CE 3.6Å; F228-M290 HydrophobicContact CD2-CE 4.21Å; F228-M290 HydrophobicContact CE1-CE 4.37Å; F228-M290 HydrophobicContact CG-CE 3.49Å; F228-M290 VanDerWaalsContact CG-CE 3.49Å
229	A	94.5	Very high	89.3	Confident	28 Å²	28	44 Å²	44	23%	0.231	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-41.9	176.5	0	0	0	0	0	112	C225 K226 R231 F232 V233 L293	C225-A229 PolarHBondContact O-N 2.68Å; K226-A229 PolarHBondContact O-N 2.97Å; A229-R231 PolarHBondContact O-N 2.92Å; A229-F232 PolarHBondContact O-N 2.79Å; A229-V233 WeakPolarHBondContact O-CG2 2.95Å; A229-V233 PolarHBondContact O-N 3.44Å; A229-L293 HydrophobicContact CB-CD1 4.36Å; A229-L293 HydrophobicContact CB-CD2 4.16Å
230	K	93.1	Very high	87.5	Confident	138 Å²	138	51.8 Å²	51.8	60%	0.6	27%	0.271	S	S	*	.	H	α-helix	trans	-60.3	-44.9	174.2	-179.5	-175	171.2	-164.4	0	111.3	E177 K226 F228 F234	E177-K230 IonicContact OE1-NZ 3.25Å; E177-K230 PolarHBondContact OE1-NZ 3.23Å; K226-K230 WeakPolarHBondContact O-CB 3.37Å; K226-K230 PolarHBondContact O-N 3.45Å; F228-K230 VanDerWaalsContact C-N 3.33Å; F228-K230 PolarHBondContact O-N 3.01Å; K230-F234 PolarHBondContact O-N 3.18Å; K230-F234 VanDerWaalsContact O-N 3.1Å
231	R	91.4	Very high	85.3	Confident	29 Å²	29	55.1 Å²	55.1	11%	0.109	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-45.7	176.6	-173.1	172.3	178.9	76.7	1.5	111.6	I182 E187 P227 F228 A229 V233 F234 F235 W258	I182-R231 VanDerWaalsContact O-CD 3.25Å; I182-R231 WeakPolarHBondContact O-CD 3.29Å; I182-R231 PolarHBondContact O-NE 3.49Å; E187-R231 IonicContact OE1-CZ 2.73Å; E187-R231 IonicContact OE1-NH2 3.61Å; E187-R231 PolarHBondContact OE1-NH2 3.44Å; E187-R231 IonicContact OE2-CZ 2.91Å; E187-R231 IonicContact OE2-NH2 3.98Å; E187-R231 PolarHBondContact OE2-NH2 3.13Å; P227-R231 WeakPolarHBondContact O-CB 3.41Å; P227-R231 PolarHBondContact O-N 2.9Å; F228-R231 CarbonylContact O-C 3.4Å; F228-R231 WeakPolarHBondContact O-CB 3.46Å; F228-R231 PolarHBondContact O-N 3.09Å; F228-R231 VanDerWaalsContact O-N 3.17Å; A229-R231 PolarHBondContact O-N 2.92Å; R231-V233 PolarHBondContact O-N 3.13Å; R231-F234 WeakPolarHBondContact O-CB 3.49Å; R231-F234 PolarHBondContact O-N 3.26Å; R231-F234 VanDerWaalsContact O-N 3.15Å; R231-F235 HydrophobicContact CG-CD2 3.8Å; R231-F235 HydrophobicContact CG-CE2 3.68Å; R231-F235 VanDerWaalsContact O-CD2 3.25Å; R231-F235 WeakPolarHBondContact O-CD2 3.45Å; R231-F235 PolarHBondContact O-N 3.03Å; R231-F235 VanDerWaalsContact O-N 3.1Å; R231-W258 HydrophobicContact CG-CH2 4.47Å; R231-W258 HydrophobicContact CG-CZ2 4.27Å
232	F	92.3	Very high	83.1	Confident	7 Å²	7	62.8 Å²	62.8	3%	0.031	32%	0.321	C	S	.	.	H	α-helix	trans	-56.7	-49.5	177	-174.9	-86.8	0	0	0	111.5	F228 A229 F234 F235 F236 Y251 I255 W258 L293 R297	F228-F232 WeakPolarHBondContact O-CB 3.46Å; F228-F232 PolarHBondContact O-N 3.47Å; A229-F232 PolarHBondContact O-N 2.79Å; F232-F234 VanDerWaalsContact C-N 3.29Å; F232-F234 PolarHBondContact O-N 3.3Å; F232-F235 PolarHBondContact O-N 3.02Å; F232-F236 HydrophobicContact CD1-CB 4.47Å; F232-F236 HydrophobicContact CD1-CD2 4.29Å; F232-F236 AromaticContact CD2-CD2 3.47Å; F232-F236 HydrophobicContact CD2-CD2 3.47Å; F232-F236 VanDerWaalsContact CD2-CD2 3.47Å; F232-F236 AromaticContact CD2-CE2 3.92Å; F232-F236 HydrophobicContact CD2-CE2 3.92Å; F232-F236 HydrophobicContact CE1-CB 4.16Å; F232-F236 HydrophobicContact CE1-CD2 4.35Å; F232-F236 AromaticContact CE2-CD2 3.54Å; F232-F236 HydrophobicContact CE2-CD2 3.54Å; F232-F236 HydrophobicContact CE2-CE2 4.08Å; F232-F236 HydrophobicContact CE2-CG 4.38Å; F232-F236 AromaticContact CG-CD2 3.86Å; F232-F236 HydrophobicContact CG-CD2 3.86Å; F232-F236 HydrophobicContact CZ-CB 4.25Å; F232-F236 AromaticContact CZ-CD2 3.99Å; F232-F236 HydrophobicContact CZ-CD2 3.99Å; F232-F236 HydrophobicContact CZ-CG 4.45Å; F232-F236 WeakPolarHBondContact O-CB 3.21Å; F232-F236 WeakPolarHBondContact O-CD2 3.49Å; F232-F236 PolarHBondContact O-N 3.34Å; F232-Y251 HydrophobicContact CE2-CD2 4.18Å; F232-Y251 HydrophobicContact CE2-CG 4.28Å; F232-Y251 AromaticContact CZ-CD2 3.95Å; F232-Y251 HydrophobicContact CZ-CD2 3.95Å; F232-Y251 HydrophobicContact CZ-CG 4.11Å; F232-I255 HydrophobicContact CD2-CD1 3.97Å; F232-I255 HydrophobicContact CD2-CG1 4.03Å; F232-I255 HydrophobicContact CE2-CD1 3.47Å; F232-I255 VanDerWaalsContact CE2-CD1 3.47Å; F232-I255 HydrophobicContact CE2-CG1 3.87Å; F232-I255 HydrophobicContact CZ-CD1 4.12Å; F232-W258 HydrophobicContact CB-CH2 4.17Å; F232-W258 HydrophobicContact CB-CZ3 4.12Å; F232-W258 HydrophobicContact CD2-CH2 4.47Å; F232-W258 HydrophobicContact CD2-CZ3 4.05Å; F232-L293 HydrophobicContact CB-CD2 3.74Å; F232-L293 HydrophobicContact CB-CG 4.46Å; F232-L293 HydrophobicContact CD1-CD1 3.79Å; F232-L293 HydrophobicContact CD1-CD2 4.08Å; F232-L293 HydrophobicContact CD1-CG 3.87Å; F232-L293 HydrophobicContact CD2-CD2 4.11Å; F232-L293 HydrophobicContact CD2-CG 4.41Å; F232-L293 HydrophobicContact CE1-CD1 4.27Å; F232-L293 HydrophobicContact CE1-CG 4.21Å; F232-L293 HydrophobicContact CG-CD1 4.28Å; F232-L293 HydrophobicContact CG-CD2 3.71Å; F232-L293 HydrophobicContact CG-CG 3.99Å; F232-R297 HydrophobicContact CE1-CB 4.1Å; F232-R297 HydrophobicContact CZ-CB 4.12Å; F232-R297 HydrophobicContact CZ-CG 4.43Å
233	V	89.9	Confident	81.4	Confident	85 Å²	85	66.7 Å²	66.7	52%	0.515	34%	0.335	S	S	.	.	H	α-helix	trans	-62.7	-35.4	177.5	171.9	0	0	0	0	111.8	A229 R231 G237	A229-V233 WeakPolarHBondContact O-CG2 2.95Å; A229-V233 PolarHBondContact O-N 3.44Å; R231-V233 PolarHBondContact O-N 3.13Å; V233-G237 WeakPolarHBondContact O-CA 3.41Å; V233-G237 PolarHBondContact O-N 3.34Å
234	F	87	Confident	79.4	Confident	121 Å²	121	69.5 Å²	69.5	53%	0.531	36%	0.359	S	S	.	.	H	α-helix	trans	-65.1	-37.8	176.5	175.8	-95	0	0	0	113.2	K230 R231 F232 K241	K230-F234 PolarHBondContact O-N 3.18Å; K230-F234 VanDerWaalsContact O-N 3.1Å; R231-F234 WeakPolarHBondContact O-CB 3.49Å; R231-F234 PolarHBondContact O-N 3.26Å; R231-F234 VanDerWaalsContact O-N 3.15Å; F232-F234 VanDerWaalsContact C-N 3.29Å; F232-F234 PolarHBondContact O-N 3.3Å; F234-K241 PolarHBondContact O-NZ 3.3Å
235	F	84.4	Confident	77.2	Confident	56 Å²	56	72.9 Å²	72.9	25%	0.246	38%	0.377	C	S	.	.	H	α-helix	trans	-84.8	-41.7	179.5	-75	-73	0	0	0	113	R231 F232	R231-F235 HydrophobicContact CG-CD2 3.8Å; R231-F235 HydrophobicContact CG-CE2 3.68Å; R231-F235 VanDerWaalsContact O-CD2 3.25Å; R231-F235 WeakPolarHBondContact O-CD2 3.45Å; R231-F235 PolarHBondContact O-N 3.03Å; R231-F235 VanDerWaalsContact O-N 3.1Å; F232-F235 PolarHBondContact O-N 3.02Å
236	F	86.6	Confident	75.6	Confident	5 Å²	5	74.5 Å²	74.5	2%	0.022	39%	0.388	C	S	.	.	H	α-helix	trans	-118	-5.3	-166.4	-50.5	-56.8	0	0	0	114.5	F232 D245 Y250 F254	F232-F236 HydrophobicContact CD1-CB 4.47Å; F232-F236 HydrophobicContact CD1-CD2 4.29Å; F232-F236 AromaticContact CD2-CD2 3.47Å; F232-F236 HydrophobicContact CD2-CD2 3.47Å; F232-F236 VanDerWaalsContact CD2-CD2 3.47Å; F232-F236 AromaticContact CD2-CE2 3.92Å; F232-F236 HydrophobicContact CD2-CE2 3.92Å; F232-F236 HydrophobicContact CE1-CB 4.16Å; F232-F236 HydrophobicContact CE1-CD2 4.35Å; F232-F236 AromaticContact CE2-CD2 3.54Å; F232-F236 HydrophobicContact CE2-CD2 3.54Å; F232-F236 HydrophobicContact CE2-CE2 4.08Å; F232-F236 HydrophobicContact CE2-CG 4.38Å; F232-F236 AromaticContact CG-CD2 3.86Å; F232-F236 HydrophobicContact CG-CD2 3.86Å; F232-F236 HydrophobicContact CZ-CB 4.25Å; F232-F236 AromaticContact CZ-CD2 3.99Å; F232-F236 HydrophobicContact CZ-CD2 3.99Å; F232-F236 HydrophobicContact CZ-CG 4.45Å; F232-F236 WeakPolarHBondContact O-CB 3.21Å; F232-F236 WeakPolarHBondContact O-CD2 3.49Å; F232-F236 PolarHBondContact O-N 3.34Å; F236-D245 WeakPolarHBondContact CD1-O 3.43Å; F236-D245 WeakPolarHBondContact CE1-O 3.33Å; F236-Y250 AromaticContact CE1-CD1 3.47Å; F236-Y250 HydrophobicContact CE1-CD1 3.47Å; F236-Y250 VanDerWaalsContact CE1-CD1 3.47Å; F236-Y250 AromaticContact CE1-CE1 3.65Å; F236-Y250 HydrophobicContact CE1-CE1 3.65Å; F236-Y250 AromaticContact CZ-CD1 3.87Å; F236-Y250 HydrophobicContact CZ-CD1 3.87Å; F236-Y250 AromaticContact CZ-CE1 3.88Å; F236-Y250 HydrophobicContact CZ-CE1 3.88Å; F236-F254 HydrophobicContact CE2-CB 4.25Å; F236-F254 AromaticContact CE2-CD1 3.61Å; F236-F254 HydrophobicContact CE2-CD1 3.61Å; F236-F254 HydrophobicContact CE2-CE1 4.12Å; F236-F254 AromaticContact CE2-CG 3.97Å; F236-F254 HydrophobicContact CE2-CG 3.97Å; F236-F254 HydrophobicContact CZ-CB 4.48Å; F236-F254 AromaticContact CZ-CD1 3.57Å; F236-F254 HydrophobicContact CZ-CD1 3.57Å; F236-F254 HydrophobicContact CZ-CD2 4.21Å; F236-F254 AromaticContact CZ-CE1 3.71Å; F236-F254 HydrophobicContact CZ-CE1 3.71Å; F236-F254 HydrophobicContact CZ-CE2 4.37Å; F236-F254 AromaticContact CZ-CG 3.83Å; F236-F254 HydrophobicContact CZ-CG 3.83Å; F236-F254 HydrophobicContact CZ-CZ 4.14Å
237	G	78	Confident	75	Confident	41 Å²	41	76 Å²	76	42%	0.423	39%	0.394	S	S	.	.	S	Bend	trans	-87.8	-1.6	179	0	0	0	0	0	114.7	V233	V233-G237 WeakPolarHBondContact O-CA 3.41Å; V233-G237 PolarHBondContact O-N 3.34Å
238	Q	71.1	Confident	74.7	Confident	96 Å²	96	76.1 Å²	76.1	45%	0.449	40%	0.396	S	S	.	.			trans	-99.5	115.6	179.7	-64.3	-172.7	-22.1	0	0	110	E240 K241	Q238-E240 PolarHBondContact O-N 3.4Å; Q238-K241 PolarHBondContact O-N 2.9Å; Q238-K241 VanDerWaalsContact OE1-CE 3.28Å
239	D	62.7	Low	74.5	Confident	142 Å²	142	78 Å²	78	76%	0.759	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.2	179.3	-62.9	-33.9	0	0	0	113.1	R297	D239-R297 IonicContact OD1-NH1 2.74Å
240	E	52.9	Low	74.2	Confident	175 Å²	175	81.3 Å²	81.3	82%	0.818	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-12.2	-175.4	-65.6	-178.1	166.3	0	0	114.7	Q238 H242	Q238-E240 PolarHBondContact O-N 3.4Å; E240-H242 PolarHBondContact O-N 3.24Å
241	K	49.6	Very low	74.2	Confident	69 Å²	69	74.8 Å²	74.8	30%	0.3	39%	0.39	S	S	.	.	S	Bend	trans	-78.5	96.1	-179.4	-79.7	-175	-179.5	168.4	0	111.2	F234 Q238	F234-K241 PolarHBondContact O-NZ 3.3Å; Q238-K241 PolarHBondContact O-N 2.9Å; Q238-K241 VanDerWaalsContact OE1-CE 3.28Å
242	H	47.3	Very low	74.5	Confident	164 Å²	164	73.6 Å²	73.6	76%	0.759	39%	0.386	S	S	*	.			trans	-27.2	115.8	174	-71.1	-72.9	0	0	0	117.6	E240 A244	E240-H242 PolarHBondContact O-N 3.24Å; H242-A244 VanDerWaalsContact C-N 3.31Å; H242-A244 PolarHBondContact O-N 3.34Å
243	D	56.4	Low	74.5	Confident	134 Å²	134	75.6 Å²	75.6	72%	0.717	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	-34.7	151.8	-64.8	-14.4	0	0	0	122.5	K247	D243-K247 WeakPolarHBondContact O-CE 3.49Å
244	A	52.7	Low	74.7	Confident	64 Å²	64	72.5 Å²	72.5	53%	0.529	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-47.2	-175.7	0	0	0	0	0	112.6	H242 S246 K247	H242-A244 VanDerWaalsContact C-N 3.31Å; H242-A244 PolarHBondContact O-N 3.34Å; A244-S246 VanDerWaalsContact C-N 3.27Å; A244-S246 PolarHBondContact O-N 2.75Å; A244-K247 PolarHBondContact O-N 2.59Å
245	D	49.8	Very low	75.1	Confident	71 Å²	71	66.7 Å²	66.7	38%	0.38	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-18.1	-173.3	-67.1	-19.1	0	0	0	112.8	F236 Y250	F236-D245 WeakPolarHBondContact CD1-O 3.43Å; F236-D245 WeakPolarHBondContact CE1-O 3.33Å; D245-Y250 HydrophobicContact CB-CD1 4.47Å; D245-Y250 HydrophobicContact CB-CE1 4.45Å
246	S	63.4	Low	75.7	Confident	43 Å²	43	65.4 Å²	65.4	30%	0.301	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-3.2	178.1	55.1	0	0	0	0	113.7	A244	A244-S246 VanDerWaalsContact C-N 3.27Å; A244-S246 PolarHBondContact O-N 2.75Å
247	K	80.8	Confident	76.1	Confident	123 Å²	123	67.3 Å²	67.3	54%	0.535	36%	0.363	S	S	.	.	S	Bend	trans	-70.5	138.4	179.6	-67.7	-167.3	175.1	-159.1	0	111.6	D243 A244 A249 Y250 Y251	D243-K247 WeakPolarHBondContact O-CE 3.49Å; A244-K247 PolarHBondContact O-N 2.59Å; K247-A249 VanDerWaalsContact C-N 3.32Å; K247-A249 PolarHBondContact O-N 2.87Å; K247-Y250 WeakPolarHBondContact O-CB 3.38Å; K247-Y250 PolarHBondContact O-N 3.34Å; K247-Y251 WeakPolarHBondContact O-CD1 3.45Å; K247-Y251 PolarHBondContact O-N 2.9Å
248	A	89.6	Confident	76.9	Confident	8 Å²	8	65.4 Å²	65.4	7%	0.066	34%	0.343	C	S	.	.	H	α-helix	trans	-53.5	-45.9	179.9	0	0	0	0	0	113.5	Y250 Y251 L252 L298 L318 E321	A248-Y250 PolarHBondContact O-N 3.34Å; A248-Y251 VanDerWaalsContact CA-CZ 3.49Å; A248-Y251 HydrophobicContact CB-CE1 4.06Å; A248-Y251 HydrophobicContact CB-CE2 4.45Å; A248-Y251 PolarHBondContact O-N 2.96Å; A248-L252 HydrophobicContact CB-CD1 4.21Å; A248-L252 WeakPolarHBondContact O-CB 3.23Å; A248-L252 WeakPolarHBondContact O-CG 3.42Å; A248-L252 PolarHBondContact O-N 3.28Å; A248-L298 HydrophobicContact CB-CD2 4.31Å; A248-L318 HydrophobicContact CB-CD2 3.5Å; A248-E321 HydrophobicContact CB-CB 4.28Å; A248-E321 HydrophobicContact CB-CG 4.48Å
249	A	90.2	Very high	78.2	Confident	40 Å²	40	60.8 Å²	60.8	33%	0.331	32%	0.322	S	S	.	.	H	α-helix	trans	-46.7	-42.1	174.7	0	0	0	0	0	112.8	K247 S253 E321	K247-A249 VanDerWaalsContact C-N 3.32Å; K247-A249 PolarHBondContact O-N 2.87Å; A249-S253 VanDerWaalsContact O-CB 3.28Å; A249-S253 WeakPolarHBondContact O-CB 3.25Å; A249-S253 PolarHBondContact O-N 3.04Å; A249-S253 VanDerWaalsContact O-N 3.07Å; A249-S253 PolarHBondContact O-OG 3.31Å; A249-E321 WeakPolarHBondContact CA-OE2 3.23Å; A249-E321 HydrophobicContact CB-CG 4.31Å; A249-E321 WeakPolarHBondContact CB-OE2 3.24Å
250	Y	90	Very high	79.8	Confident	97 Å²	97	57.4 Å²	57.4	38%	0.38	31%	0.306	S	S	.	.	H	α-helix	trans	-75.6	-53.5	-173.9	-169.8	-114.3	0	0	0	112	F236 D245 K247 A248 L252 S253 F254	F236-Y250 AromaticContact CE1-CD1 3.47Å; F236-Y250 HydrophobicContact CE1-CD1 3.47Å; F236-Y250 VanDerWaalsContact CE1-CD1 3.47Å; F236-Y250 AromaticContact CE1-CE1 3.65Å; F236-Y250 HydrophobicContact CE1-CE1 3.65Å; F236-Y250 AromaticContact CZ-CD1 3.87Å; F236-Y250 HydrophobicContact CZ-CD1 3.87Å; F236-Y250 AromaticContact CZ-CE1 3.88Å; F236-Y250 HydrophobicContact CZ-CE1 3.88Å; D245-Y250 HydrophobicContact CB-CD1 4.47Å; D245-Y250 HydrophobicContact CB-CE1 4.45Å; K247-Y250 WeakPolarHBondContact O-CB 3.38Å; K247-Y250 PolarHBondContact O-N 3.34Å; A248-Y250 PolarHBondContact O-N 3.34Å; Y250-L252 VanDerWaalsContact C-N 3.3Å; Y250-L252 PolarHBondContact O-N 3.49Å; Y250-S253 PolarHBondContact O-N 2.99Å; Y250-S253 PolarHBondContact O-OG 3.33Å; Y250-F254 HydrophobicContact CD1-CE2 4.26Å; Y250-F254 HydrophobicContact CD2-CE2 4.19Å; Y250-F254 HydrophobicContact CE1-CD2 4.42Å; Y250-F254 AromaticContact CE1-CE2 3.66Å; Y250-F254 HydrophobicContact CE1-CE2 3.66Å; Y250-F254 AromaticContact CE1-CZ 3.79Å; Y250-F254 HydrophobicContact CE1-CZ 3.79Å; Y250-F254 HydrophobicContact CE2-CD2 4.42Å; Y250-F254 AromaticContact CE2-CE2 3.57Å; Y250-F254 HydrophobicContact CE2-CE2 3.57Å; Y250-F254 HydrophobicContact CE2-CZ 4.28Å; Y250-F254 AromaticContact CZ-CE2 3.28Å; Y250-F254 AromaticContact CZ-CZ 3.54Å; Y250-F254 WeakPolarHBondContact O-CD2 3.44Å; Y250-F254 PolarHBondContact O-N 3.48Å; Y250-F254 WeakPolarHBondContact OH-CE2 3.49Å; Y250-F254 WeakPolarHBondContact OH-CZ 3.37Å
251	Y	92.4	Very high	81.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-69.8	-28.1	-179.2	68.7	-115.2	0	0	0	112.7	F232 K247 A248 F254 I255 R297 L298 D301	F232-Y251 HydrophobicContact CE2-CD2 4.18Å; F232-Y251 HydrophobicContact CE2-CG 4.28Å; F232-Y251 AromaticContact CZ-CD2 3.95Å; F232-Y251 HydrophobicContact CZ-CD2 3.95Å; F232-Y251 HydrophobicContact CZ-CG 4.11Å; K247-Y251 WeakPolarHBondContact O-CD1 3.45Å; K247-Y251 PolarHBondContact O-N 2.9Å; A248-Y251 VanDerWaalsContact CA-CZ 3.49Å; A248-Y251 HydrophobicContact CB-CE1 4.06Å; A248-Y251 HydrophobicContact CB-CE2 4.45Å; A248-Y251 PolarHBondContact O-N 2.96Å; Y251-F254 WeakPolarHBondContact O-CB 3.49Å; Y251-F254 PolarHBondContact O-N 2.8Å; Y251-I255 PolarHBondContact O-N 3.11Å; Y251-R297 HydrophobicContact CD1-CG 4.22Å; Y251-R297 HydrophobicContact CE1-CG 3.7Å; Y251-R297 HydrophobicContact CE2-CB 4.36Å; Y251-R297 HydrophobicContact CE2-CG 4.12Å; Y251-L298 HydrophobicContact CE2-CD2 4.41Å; Y251-L298 HydrophobicContact CE2-CG 4.14Å; Y251-L298 WeakPolarHBondContact OH-CD2 3.15Å; Y251-L298 WeakPolarHBondContact OH-CG 3.2Å; Y251-D301 VanDerWaalsContact CE1-OD2 3.23Å; Y251-D301 WeakPolarHBondContact CE1-OD2 3.23Å; Y251-D301 VanDerWaalsContact CZ-OD2 3.31Å; Y251-D301 PolarHBondContact OH-OD2 3.37Å
252	L	96.5	Very high	83.9	Confident	4 Å²	4	49 Å²	49	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-68.3	-41.2	172.4	-68.5	175	0	0	0	111.1	A248 Y250 F254 I255 L256 A294 L298 E321 F325	A248-L252 HydrophobicContact CB-CD1 4.21Å; A248-L252 WeakPolarHBondContact O-CB 3.23Å; A248-L252 WeakPolarHBondContact O-CG 3.42Å; A248-L252 PolarHBondContact O-N 3.28Å; Y250-L252 VanDerWaalsContact C-N 3.3Å; Y250-L252 PolarHBondContact O-N 3.49Å; L252-F254 VanDerWaalsContact C-N 3.25Å; L252-F254 PolarHBondContact O-N 3Å; L252-I255 PolarHBondContact O-N 3.45Å; L252-L256 WeakPolarHBondContact O-CB 3.45Å; L252-L256 PolarHBondContact O-N 3.49Å; L252-A294 HydrophobicContact CD2-CB 3.83Å; L252-L298 HydrophobicContact CD1-CD2 4.46Å; L252-L298 HydrophobicContact CD2-CD1 4.01Å; L252-E321 HydrophobicContact CD1-CB 4.08Å; L252-F325 HydrophobicContact CB-CB 4.34Å; L252-F325 HydrophobicContact CB-CD2 3.75Å; L252-F325 HydrophobicContact CB-CE2 4.35Å; L252-F325 HydrophobicContact CB-CG 4.19Å; L252-F325 HydrophobicContact CD1-CB 4.04Å; L252-F325 HydrophobicContact CD1-CG 4.39Å; L252-F325 HydrophobicContact CD2-CB 4.44Å; L252-F325 HydrophobicContact CD2-CD1 4.11Å; L252-F325 HydrophobicContact CD2-CD2 3.97Å; L252-F325 HydrophobicContact CD2-CE1 4.35Å; L252-F325 HydrophobicContact CD2-CE2 4.21Å; L252-F325 HydrophobicContact CD2-CG 3.9Å; L252-F325 HydrophobicContact CD2-CZ 4.39Å; L252-F325 HydrophobicContact CG-CD2 4.35Å; L252-F325 HydrophobicContact CG-CG 4.38Å; L252-F325 WeakPolarHBondContact O-CE2 3.27Å
253	S	94	Very high	86.2	Confident	50 Å²	50	48.3 Å²	48.3	35%	0.35	26%	0.262	S	S	.	.	H	α-helix	trans	-61.1	-33.6	175.2	78.1	0	0	0	0	112.9	A249 Y250 T257	A249-S253 VanDerWaalsContact O-CB 3.28Å; A249-S253 WeakPolarHBondContact O-CB 3.25Å; A249-S253 PolarHBondContact O-N 3.04Å; A249-S253 VanDerWaalsContact O-N 3.07Å; A249-S253 PolarHBondContact O-OG 3.31Å; Y250-S253 PolarHBondContact O-N 2.99Å; Y250-S253 PolarHBondContact O-OG 3.33Å; S253-T257 VanDerWaalsContact O-CB 3.32Å; S253-T257 WeakPolarHBondContact O-CB 3.32Å; S253-T257 PolarHBondContact O-N 2.97Å; S253-T257 PolarHBondContact O-OG1 3.5Å
254	F	93	Very high	87.9	Confident	19 Å²	19	48.3 Å²	48.3	8%	0.083	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-50	174.9	-88.5	-134.6	0	0	0	110.8	F184 F236 Y250 Y251 L252 T257 W258	F184-F254 HydrophobicContact CD2-CE1 4.45Å; F184-F254 HydrophobicContact CD2-CZ 4.41Å; F184-F254 AromaticContact CE2-CD1 3.56Å; F184-F254 HydrophobicContact CE2-CD1 3.56Å; F184-F254 HydrophobicContact CE2-CD2 4.22Å; F184-F254 AromaticContact CE2-CE1 3.29Å; F184-F254 HydrophobicContact CE2-CE1 3.29Å; F184-F254 AromaticContact CE2-CE2 3.95Å; F184-F254 HydrophobicContact CE2-CE2 3.95Å; F184-F254 HydrophobicContact CE2-CG 4.03Å; F184-F254 AromaticContact CE2-CZ 3.48Å; F184-F254 HydrophobicContact CE2-CZ 3.48Å; F184-F254 VanDerWaalsContact CE2-CZ 3.48Å; F184-F254 HydrophobicContact CZ-CB 4.12Å; F184-F254 AromaticContact CZ-CD1 3.46Å; F184-F254 HydrophobicContact CZ-CD1 3.46Å; F184-F254 VanDerWaalsContact CZ-CD1 3.46Å; F184-F254 AromaticContact CZ-CD2 3.79Å; F184-F254 HydrophobicContact CZ-CD2 3.79Å; F184-F254 AromaticContact CZ-CE1 3.7Å; F184-F254 HydrophobicContact CZ-CE1 3.7Å; F184-F254 AromaticContact CZ-CE2 3.96Å; F184-F254 HydrophobicContact CZ-CE2 3.96Å; F184-F254 AromaticContact CZ-CG 3.51Å; F184-F254 HydrophobicContact CZ-CG 3.51Å; F184-F254 AromaticContact CZ-CZ 3.92Å; F184-F254 HydrophobicContact CZ-CZ 3.92Å; F236-F254 HydrophobicContact CE2-CB 4.25Å; F236-F254 AromaticContact CE2-CD1 3.61Å; F236-F254 HydrophobicContact CE2-CD1 3.61Å; F236-F254 HydrophobicContact CE2-CE1 4.12Å; F236-F254 AromaticContact CE2-CG 3.97Å; F236-F254 HydrophobicContact CE2-CG 3.97Å; F236-F254 HydrophobicContact CZ-CB 4.48Å; F236-F254 AromaticContact CZ-CD1 3.57Å; F236-F254 HydrophobicContact CZ-CD1 3.57Å; F236-F254 HydrophobicContact CZ-CD2 4.21Å; F236-F254 AromaticContact CZ-CE1 3.71Å; F236-F254 HydrophobicContact CZ-CE1 3.71Å; F236-F254 HydrophobicContact CZ-CE2 4.37Å; F236-F254 AromaticContact CZ-CG 3.83Å; F236-F254 HydrophobicContact CZ-CG 3.83Å; F236-F254 HydrophobicContact CZ-CZ 4.14Å; Y250-F254 HydrophobicContact CD1-CE2 4.26Å; Y250-F254 HydrophobicContact CD2-CE2 4.19Å; Y250-F254 HydrophobicContact CE1-CD2 4.42Å; Y250-F254 AromaticContact CE1-CE2 3.66Å; Y250-F254 HydrophobicContact CE1-CE2 3.66Å; Y250-F254 AromaticContact CE1-CZ 3.79Å; Y250-F254 HydrophobicContact CE1-CZ 3.79Å; Y250-F254 HydrophobicContact CE2-CD2 4.42Å; Y250-F254 AromaticContact CE2-CE2 3.57Å; Y250-F254 HydrophobicContact CE2-CE2 3.57Å; Y250-F254 HydrophobicContact CE2-CZ 4.28Å; Y250-F254 AromaticContact CZ-CE2 3.28Å; Y250-F254 AromaticContact CZ-CZ 3.54Å; Y250-F254 WeakPolarHBondContact O-CD2 3.44Å; Y250-F254 PolarHBondContact O-N 3.48Å; Y250-F254 WeakPolarHBondContact OH-CE2 3.49Å; Y250-F254 WeakPolarHBondContact OH-CZ 3.37Å; Y251-F254 WeakPolarHBondContact O-CB 3.49Å; Y251-F254 PolarHBondContact O-N 2.8Å; L252-F254 VanDerWaalsContact C-N 3.25Å; L252-F254 PolarHBondContact O-N 3Å; F254-T257 PolarHBondContact O-N 2.78Å; F254-W258 HydrophobicContact CD1-CH2 4.27Å; F254-W258 HydrophobicContact CD1-CZ2 4.06Å; F254-W258 VanDerWaalsContact O-CG 3.29Å; F254-W258 PolarHBondContact O-N 3.02Å
255	I	95.9	Very high	89.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-45.9	179.9	-68.1	177.4	0	0	0	110.8	F232 Y251 L252 T257 W258 F259 M290 L293 A294 F325	F232-I255 HydrophobicContact CD2-CD1 3.97Å; F232-I255 HydrophobicContact CD2-CG1 4.03Å; F232-I255 HydrophobicContact CE2-CD1 3.47Å; F232-I255 VanDerWaalsContact CE2-CD1 3.47Å; F232-I255 HydrophobicContact CE2-CG1 3.87Å; F232-I255 HydrophobicContact CZ-CD1 4.12Å; Y251-I255 PolarHBondContact O-N 3.11Å; L252-I255 PolarHBondContact O-N 3.45Å; I255-T257 VanDerWaalsContact C-N 3.34Å; I255-T257 PolarHBondContact O-N 2.68Å; I255-W258 HydrophobicContact CG1-CE3 4.28Å; I255-W258 HydrophobicContact CG1-CZ3 4.36Å; I255-W258 PolarHBondContact O-N 3.17Å; I255-F259 PolarHBondContact O-N 3.28Å; I255-M290 HydrophobicContact CG2-CB 3.86Å; I255-M290 HydrophobicContact CG2-SD 4.46Å; I255-L293 HydrophobicContact CD1-CG 4.49Å; I255-A294 HydrophobicContact CD1-CB 3.54Å; I255-F325 HydrophobicContact CB-CE2 4.21Å; I255-F325 HydrophobicContact CB-CZ 4.42Å; I255-F325 HydrophobicContact CG2-CE2 4.04Å; I255-F325 HydrophobicContact CG2-CZ 3.83Å
256	L	97	Very high	92.1	Very high	28 Å²	28	42.3 Å²	42.3	15%	0.147	22%	0.217	C	C	.	.	H	α-helix	trans	-57.7	-47.8	176.7	176.5	62.7	0	0	0	110.9	L252 W258 F259 V260 F325 D328 M329	L252-L256 WeakPolarHBondContact O-CB 3.45Å; L252-L256 PolarHBondContact O-N 3.49Å; L256-W258 PolarHBondContact O-N 3.44Å; L256-F259 PolarHBondContact O-N 2.96Å; L256-F259 VanDerWaalsContact O-N 3.15Å; L256-V260 HydrophobicContact CD1-CG2 4.21Å; L256-V260 HydrophobicContact CG-CG2 4.46Å; L256-V260 WeakPolarHBondContact O-CG2 3.34Å; L256-V260 PolarHBondContact O-N 3.29Å; L256-F325 HydrophobicContact CB-CD2 4.25Å; L256-F325 HydrophobicContact CB-CE2 4.03Å; L256-D328 HydrophobicContact CD1-CB 3.98Å; L256-D328 HydrophobicContact CD2-CB 3.61Å; L256-D328 HydrophobicContact CG-CB 4.46Å; L256-M329 HydrophobicContact CD1-CG 4.09Å; L256-M329 HydrophobicContact CD1-SD 3.75Å
257	T	95	Very high	93.6	Very high	46 Å²	46	41.4 Å²	41.4	28%	0.282	21%	0.214	S	C	.	.	H	α-helix	trans	-60.9	-44.9	179	-60	0	0	0	0	111.6	F184 S253 F254 I255 F259 V260 Q261	F184-T257 HydrophobicContact CD1-CG2 3.77Å; F184-T257 HydrophobicContact CE1-CG2 3.59Å; S253-T257 VanDerWaalsContact O-CB 3.32Å; S253-T257 WeakPolarHBondContact O-CB 3.32Å; S253-T257 PolarHBondContact O-N 2.97Å; S253-T257 PolarHBondContact O-OG1 3.5Å; F254-T257 PolarHBondContact O-N 2.78Å; I255-T257 VanDerWaalsContact C-N 3.34Å; I255-T257 PolarHBondContact O-N 2.68Å; T257-F259 VanDerWaalsContact C-N 3.28Å; T257-F259 PolarHBondContact O-N 2.93Å; T257-V260 PolarHBondContact O-N 3.25Å; T257-Q261 HydrophobicContact CG2-CG 4.38Å; T257-Q261 WeakPolarHBondContact O-CB 3.45Å; T257-Q261 VanDerWaalsContact O-CG 3.3Å; T257-Q261 WeakPolarHBondContact O-CG 3.44Å; T257-Q261 PolarHBondContact O-N 3.05Å
258	W	95.8	Very high	94.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.2	-34.5	176.3	-68.2	-31.4	0	0	0	112.7	I182 F184 F228 R231 F232 F254 I255 L256 S262 M290	I182-W258 PolarHBondContact O-NE1 3.26Å; F184-W258 AromaticContact CZ-NE1 3.87Å; F228-W258 HydrophobicContact CB-CE3 4.31Å; F228-W258 HydrophobicContact CB-CZ3 4.34Å; F228-W258 HydrophobicContact CD1-CB 4.06Å; F228-W258 AromaticContact CD1-CD1 3.89Å; F228-W258 AromaticContact CD1-CD2 3.57Å; F228-W258 HydrophobicContact CD1-CD2 3.57Å; F228-W258 AromaticContact CD1-CE2 3.85Å; F228-W258 AromaticContact CD1-CE3 4Å; F228-W258 HydrophobicContact CD1-CE3 4Å; F228-W258 AromaticContact CD1-CG 3.61Å; F228-W258 HydrophobicContact CD1-CG 3.61Å; F228-W258 HydrophobicContact CD1-CZ2 4.49Å; F228-W258 HydrophobicContact CE1-CB 4.06Å; F228-W258 AromaticContact CE1-CD1 3.76Å; F228-W258 HydrophobicContact CE1-CD2 4.22Å; F228-W258 AromaticContact CE1-CG 3.78Å; F228-W258 HydrophobicContact CE1-CG 3.78Å; R231-W258 HydrophobicContact CG-CH2 4.47Å; R231-W258 HydrophobicContact CG-CZ2 4.27Å; F232-W258 HydrophobicContact CB-CH2 4.17Å; F232-W258 HydrophobicContact CB-CZ3 4.12Å; F232-W258 HydrophobicContact CD2-CH2 4.47Å; F232-W258 HydrophobicContact CD2-CZ3 4.05Å; F254-W258 HydrophobicContact CD1-CH2 4.27Å; F254-W258 HydrophobicContact CD1-CZ2 4.06Å; F254-W258 VanDerWaalsContact O-CG 3.29Å; F254-W258 PolarHBondContact O-N 3.02Å; I255-W258 HydrophobicContact CG1-CE3 4.28Å; I255-W258 HydrophobicContact CG1-CZ3 4.36Å; I255-W258 PolarHBondContact O-N 3.17Å; L256-W258 PolarHBondContact O-N 3.44Å; W258-S262 WeakPolarHBondContact O-CB 3.48Å; W258-S262 PolarHBondContact O-N 3.37Å; W258-M290 HydrophobicContact CB-CE 3.64Å; W258-M290 HydrophobicContact CD2-CE 4.07Å; W258-M290 HydrophobicContact CE3-CE 3.57Å; W258-M290 HydrophobicContact CE3-SD 4.25Å; W258-M290 HydrophobicContact CG-CE 4.16Å; W258-M290 HydrophobicContact CZ3-CE 4.45Å
259	F	96.8	Very high	94.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-74.3	-37.3	175	177.8	-105	0	0	0	113.5	I255 L256 T257 S262 R283 Y286 M329 Y334	I255-F259 PolarHBondContact O-N 3.28Å; L256-F259 PolarHBondContact O-N 2.96Å; L256-F259 VanDerWaalsContact O-N 3.15Å; T257-F259 VanDerWaalsContact C-N 3.28Å; T257-F259 PolarHBondContact O-N 2.93Å; F259-S262 PolarHBondContact O-N 2.98Å; F259-S262 PolarHBondContact O-OG 3.32Å; F259-R283 VanDerWaalsContact CE1-NH2 3.3Å; F259-R283 HydrophobicContact CE2-CG 4.09Å; F259-R283 PolarHBondContact O-NH2 2.76Å; F259-Y286 HydrophobicContact CD2-CD1 4.42Å; F259-M329 HydrophobicContact CB-CE 4.09Å; F259-M329 HydrophobicContact CB-SD 3.99Å; F259-M329 HydrophobicContact CD1-CE 3.63Å; F259-M329 HydrophobicContact CD1-SD 3.64Å; F259-M329 HydrophobicContact CD2-CE 4.11Å; F259-M329 HydrophobicContact CE1-CE 4.06Å; F259-M329 HydrophobicContact CE1-SD 4.39Å; F259-M329 HydrophobicContact CG-CE 3.65Å; F259-M329 HydrophobicContact CG-SD 3.94Å; F259-M329 HydrophobicContact CZ-CE 4.48Å; F259-Y334 HydrophobicContact CE2-CD2 4.35Å; F259-Y334 HydrophobicContact CZ-CD2 4.14Å; F259-Y334 HydrophobicContact CZ-CG 4.44Å
260	V	95.9	Very high	94.7	Very high	70 Å²	70	36 Å²	36	42%	0.424	18%	0.182	S	C	.	.	H	α-helix	trans	-64	-47.3	175.4	170.2	0	0	0	0	110	L256 T257 S262 K263 S332	L256-V260 HydrophobicContact CD1-CG2 4.21Å; L256-V260 HydrophobicContact CG-CG2 4.46Å; L256-V260 WeakPolarHBondContact O-CG2 3.34Å; L256-V260 PolarHBondContact O-N 3.29Å; T257-V260 PolarHBondContact O-N 3.25Å; V260-S262 VanDerWaalsContact C-N 3.26Å; V260-S262 PolarHBondContact O-N 2.96Å; V260-K263 PolarHBondContact O-N 3.31Å; V260-S332 WeakPolarHBondContact CG2-OG 3.39Å
261	Q	93.5	Very high	94.9	Very high	68 Å²	68	38.1 Å²	38.1	32%	0.318	20%	0.196	S	C	.	.	H	α-helix	trans	-67.3	-26.6	-179.6	-69.6	174.8	-8.3	0	0	113	T257 K263 Q264	T257-Q261 HydrophobicContact CG2-CG 4.38Å; T257-Q261 WeakPolarHBondContact O-CB 3.45Å; T257-Q261 VanDerWaalsContact O-CG 3.3Å; T257-Q261 WeakPolarHBondContact O-CG 3.44Å; T257-Q261 PolarHBondContact O-N 3.05Å; Q261-K263 PolarHBondContact O-N 3.42Å; Q261-K263 VanDerWaalsContact O-N 3.13Å; Q261-Q264 PolarHBondContact O-N 3.09Å; Q261-Q264 VanDerWaalsContact O-N 3.17Å
262	S	95.1	Very high	94.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.7	-26.6	-179.7	79.5	0	0	0	0	114.4	W258 F259 V260 Q264 W265 I266 R283	W258-S262 WeakPolarHBondContact O-CB 3.48Å; W258-S262 PolarHBondContact O-N 3.37Å; F259-S262 PolarHBondContact O-N 2.98Å; F259-S262 PolarHBondContact O-OG 3.32Å; V260-S262 VanDerWaalsContact C-N 3.26Å; V260-S262 PolarHBondContact O-N 2.96Å; S262-Q264 VanDerWaalsContact C-N 3.27Å; S262-Q264 PolarHBondContact O-N 3.39Å; S262-W265 VanDerWaalsContact CA-CE2 3.46Å; S262-I266 WeakPolarHBondContact O-CB 3.34Å; S262-I266 VanDerWaalsContact O-CG1 3.23Å; S262-I266 WeakPolarHBondContact O-CG1 3.39Å; S262-I266 PolarHBondContact O-N 3.44Å; S262-R283 PolarHBondContact OG-NE 2.86Å
263	K	95.5	Very high	94.7	Very high	149 Å²	149	41.4 Å²	41.4	65%	0.648	22%	0.219	S	C	*	.	H	α-helix	trans	-55.5	-43.8	176.9	-173	175.5	-179.2	176.5	0	112.4	V260 Q261	V260-K263 PolarHBondContact O-N 3.31Å; Q261-K263 PolarHBondContact O-N 3.42Å; Q261-K263 VanDerWaalsContact O-N 3.13Å
264	Q	93.2	Very high	94.5	Very high	134 Å²	134	44.2 Å²	44.2	63%	0.626	23%	0.226	S	C	*	.	H	α-helix	trans	-75.5	-54.8	-177.9	-179	-179.8	-9.9	0	0	110.9	Q261 S262 I266 G267 E268	Q261-Q264 PolarHBondContact O-N 3.09Å; Q261-Q264 VanDerWaalsContact O-N 3.17Å; S262-Q264 VanDerWaalsContact C-N 3.27Å; S262-Q264 PolarHBondContact O-N 3.39Å; Q264-I266 PolarHBondContact O-N 2.94Å; Q264-G267 PolarHBondContact O-N 2.79Å; Q264-E268 WeakPolarHBondContact CG-OE1 3.5Å; Q264-E268 PolarHBondContact NE2-OE1 3.36Å; Q264-E268 PolarHBondContact O-N 2.86Å
265	W	93.5	Very high	94.5	Very high	9 Å²	9	50 Å²	50	3%	0.034	26%	0.258	C	S	.	.	H	α-helix	trans	-76.1	-25.5	-169.7	65.7	-109.5	0	0	0	113.5	I176 Y181 L224 F228 S262 G267 E268 L269 Y286	I176-W265 HydrophobicContact CD1-CE3 4.26Å; I176-W265 HydrophobicContact CD1-CZ3 3.93Å; Y181-W265 HydrophobicContact CD1-CB 3.87Å; Y181-W265 HydrophobicContact CD1-CG 4.08Å; Y181-W265 HydrophobicContact CD2-CB 3.99Å; Y181-W265 AromaticContact CD2-CD2 3.88Å; Y181-W265 HydrophobicContact CD2-CD2 3.88Å; Y181-W265 AromaticContact CD2-CE3 3.89Å; Y181-W265 HydrophobicContact CD2-CE3 3.89Å; Y181-W265 AromaticContact CD2-CG 3.94Å; Y181-W265 HydrophobicContact CD2-CG 3.94Å; Y181-W265 HydrophobicContact CE1-CB 3.63Å; Y181-W265 HydrophobicContact CE1-CG 4.34Å; Y181-W265 HydrophobicContact CE2-CB 3.75Å; Y181-W265 HydrophobicContact CE2-CD2 4.32Å; Y181-W265 HydrophobicContact CE2-CE3 4.16Å; Y181-W265 HydrophobicContact CE2-CG 4.2Å; Y181-W265 HydrophobicContact CG-CB 4.05Å; Y181-W265 HydrophobicContact CG-CD2 4.14Å; Y181-W265 AromaticContact CG-CG 3.89Å; Y181-W265 HydrophobicContact CG-CG 3.89Å; L224-W265 HydrophobicContact CD1-CZ3 4.37Å; L224-W265 HydrophobicContact CD2-CZ3 4.34Å; F228-W265 HydrophobicContact CE2-CH2 4.37Å; F228-W265 HydrophobicContact CE2-CZ2 4.14Å; F228-W265 AromaticContact CZ-CZ2 3.89Å; F228-W265 HydrophobicContact CZ-CZ2 3.89Å; S262-W265 VanDerWaalsContact CA-CE2 3.46Å; W265-G267 VanDerWaalsContact C-N 3.35Å; W265-E268 PolarHBondContact O-N 2.96Å; W265-L269 HydrophobicContact CZ3-CD2 4.45Å; W265-L269 VanDerWaalsContact O-CB 3.26Å; W265-L269 WeakPolarHBondContact O-CB 3.24Å; W265-L269 PolarHBondContact O-N 3.4Å; W265-Y286 HydrophobicContact CH2-CD2 4.34Å; W265-Y286 HydrophobicContact CH2-CE2 4.01Å; W265-Y286 HydrophobicContact CZ2-CE1 4.16Å; W265-Y286 HydrophobicContact CZ2-CE2 4.05Å; W265-Y286 AromaticContact CZ2-CZ 3.72Å
266	I	96.4	Very high	94.4	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-66.9	-40.4	171.1	-68.9	177.5	0	0	0	109.9	S262 Q264 L269 L270 P279 V282 R283 Y286	S262-I266 WeakPolarHBondContact O-CB 3.34Å; S262-I266 VanDerWaalsContact O-CG1 3.23Å; S262-I266 WeakPolarHBondContact O-CG1 3.39Å; S262-I266 PolarHBondContact O-N 3.44Å; Q264-I266 PolarHBondContact O-N 2.94Å; I266-L269 PolarHBondContact O-N 3.08Å; I266-L270 HydrophobicContact CG2-CD1 3.64Å; I266-L270 HydrophobicContact CG2-CG 4.27Å; I266-L270 WeakPolarHBondContact O-CB 3.38Å; I266-L270 VanDerWaalsContact O-CG 3.3Å; I266-L270 WeakPolarHBondContact O-CG 3.48Å; I266-L270 PolarHBondContact O-N 2.96Å; I266-P279 HydrophobicContact CG2-CB 4.39Å; I266-V282 HydrophobicContact CG2-CB 4.38Å; I266-V282 HydrophobicContact CG2-CG1 4.24Å; I266-R283 HydrophobicContact CD1-CB 3.93Å; I266-R283 HydrophobicContact CD1-CG 4.24Å; I266-Y286 HydrophobicContact CD1-CD1 4.3Å; I266-Y286 HydrophobicContact CD1-CG 4.3Å
267	G	95.1	Very high	94.3	Very high	23 Å²	23	50.2 Å²	50.2	24%	0.237	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-50	173	0	0	0	0	0	111.7	Q264 W265 L269 L270 E271	Q264-G267 PolarHBondContact O-N 2.79Å; W265-G267 VanDerWaalsContact C-N 3.35Å; G267-L269 VanDerWaalsContact C-N 3.31Å; G267-L269 PolarHBondContact O-N 3.18Å; G267-L270 PolarHBondContact O-N 3.3Å; G267-E271 PolarHBondContact O-N 3.15Å
268	E	93.3	Very high	94.3	Very high	52 Å²	52	50.3 Å²	50.3	24%	0.243	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-38.3	176.7	-68.8	178.6	-161.6	0	0	112.7	K197 Q264 W265	K197-E268 IonicContact NZ-OE1 3.79Å; K197-E268 IonicContact NZ-OE2 2.69Å; K197-E268 PolarHBondContact NZ-OE2 3.21Å; Q264-E268 WeakPolarHBondContact CG-OE1 3.5Å; Q264-E268 PolarHBondContact NE2-OE1 3.36Å; Q264-E268 PolarHBondContact O-N 2.86Å; W265-E268 PolarHBondContact O-N 2.96Å
269	L	94.3	Very high	94.2	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-70.2	-34	-179.8	-176.7	64.8	0	0	0	112.6	I176 L201 C204 L208 L224 W265 I266 G267	I176-L269 HydrophobicContact CD1-CD2 4.23Å; L201-L269 HydrophobicContact CD2-CD1 3.96Å; C204-L269 HydrophobicContact CB-CD1 3.72Å; L208-L269 HydrophobicContact CD1-CG 4.43Å; L224-L269 HydrophobicContact CD2-CD2 3.57Å; W265-L269 HydrophobicContact CZ3-CD2 4.45Å; W265-L269 VanDerWaalsContact O-CB 3.26Å; W265-L269 WeakPolarHBondContact O-CB 3.24Å; W265-L269 PolarHBondContact O-N 3.4Å; I266-L269 PolarHBondContact O-N 3.08Å; G267-L269 VanDerWaalsContact C-N 3.31Å; G267-L269 PolarHBondContact O-N 3.18Å
270	L	95.7	Very high	94.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-100.9	-5.4	-172.3	-59.7	-179	0	0	0	114.1	L208 L220 I266 G267 S272 V273 E274 Y277 P279 V282	L208-L270 HydrophobicContact CD1-CD2 3.87Å; L208-L270 HydrophobicContact CD2-CD2 4.37Å; L220-L270 HydrophobicContact CD2-CD2 4.11Å; I266-L270 HydrophobicContact CG2-CD1 3.64Å; I266-L270 HydrophobicContact CG2-CG 4.27Å; I266-L270 WeakPolarHBondContact O-CB 3.38Å; I266-L270 VanDerWaalsContact O-CG 3.3Å; I266-L270 WeakPolarHBondContact O-CG 3.48Å; I266-L270 PolarHBondContact O-N 2.96Å; G267-L270 PolarHBondContact O-N 3.3Å; L270-S272 PolarHBondContact O-N 3.46Å; L270-V273 HydrophobicContact CB-CG2 4.37Å; L270-V273 HydrophobicContact CD2-CG2 4.03Å; L270-V273 CarbonylContact O-C 3.58Å; L270-V273 VanDerWaalsContact O-C 3.31Å; L270-V273 WeakPolarHBondContact O-CA 3.13Å; L270-V273 WeakPolarHBondContact O-CG2 3.39Å; L270-V273 PolarHBondContact O-N 3.01Å; L270-E274 WeakPolarHBondContact O-CG 3.35Å; L270-E274 PolarHBondContact O-N 3.2Å; L270-Y277 HydrophobicContact CD2-CG 4.47Å; L270-P279 HydrophobicContact CB-CG 4.4Å; L270-P279 HydrophobicContact CD1-CB 4.41Å; L270-V282 HydrophobicContact CD1-CB 3.97Å; L270-V282 HydrophobicContact CD1-CG1 4.17Å; L270-V282 HydrophobicContact CD1-CG2 3.89Å
271	E	94	Very high	94	Very high	143 Å²	143	58.6 Å²	58.6	67%	0.668	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-47	-41.9	-176.3	-172.7	-180	-179.9	0	0	113.5	G267 V273	G267-E271 PolarHBondContact O-N 3.15Å; E271-V273 VanDerWaalsContact C-N 3.33Å; E271-V273 PolarHBondContact O-N 2.84Å
272	S	92	Very high	94.2	Very high	70 Å²	70	55.7 Å²	55.7	49%	0.49	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-80.2	-7.3	-179.8	62.2	0	0	0	0	115.6	T205 L270	T205-S272 WeakPolarHBondContact CB-OG 3.47Å; T205-S272 WeakPolarHBondContact CG2-OG 3.45Å; T205-S272 PolarHBondContact OG1-OG 3.42Å; L270-S272 PolarHBondContact O-N 3.46Å
273	V	92.9	Very high	94.2	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.012	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-137.2	25.7	-173.6	-65.2	0	0	0	0	112	T205 L208 L270 E271 D275 I276 Y277	T205-V273 HydrophobicContact CG2-CG1 3.97Å; L208-V273 HydrophobicContact CB-CG1 4.49Å; L208-V273 HydrophobicContact CB-CG2 4.26Å; L208-V273 HydrophobicContact CD1-CG2 3.88Å; L270-V273 HydrophobicContact CB-CG2 4.37Å; L270-V273 HydrophobicContact CD2-CG2 4.03Å; L270-V273 CarbonylContact O-C 3.58Å; L270-V273 VanDerWaalsContact O-C 3.31Å; L270-V273 WeakPolarHBondContact O-CA 3.13Å; L270-V273 WeakPolarHBondContact O-CG2 3.39Å; L270-V273 PolarHBondContact O-N 3.01Å; E271-V273 VanDerWaalsContact C-N 3.33Å; E271-V273 PolarHBondContact O-N 2.84Å; V273-D275 PolarHBondContact O-N 3.13Å; V273-I276 HydrophobicContact CB-CB 4.42Å; V273-I276 HydrophobicContact CB-CD1 4.19Å; V273-I276 HydrophobicContact CG1-CD1 4.19Å; V273-I276 WeakPolarHBondContact O-CA 3.38Å; V273-I276 WeakPolarHBondContact O-CB 3.5Å; V273-I276 PolarHBondContact O-N 2.95Å; V273-Y277 HydrophobicContact CB-CD2 4.26Å; V273-Y277 HydrophobicContact CG2-CD2 3.92Å; V273-Y277 PolarHBondContact O-N 2.88Å
274	E	91.1	Very high	94.2	Very high	109 Å²	109	51.5 Å²	51.5	51%	0.509	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.5	-179.3	-68.9	-172.2	166.3	0	0	113	L270 I276 Y277 P279	L270-E274 WeakPolarHBondContact O-CG 3.35Å; L270-E274 PolarHBondContact O-N 3.2Å; E274-I276 PolarHBondContact O-N 3.49Å; E274-Y277 WeakPolarHBondContact CA-O 3.42Å; E274-P279 HydrophobicContact CG-CG 4.25Å
275	D	92.2	Very high	94.4	Very high	140 Å²	140	48.7 Å²	48.7	75%	0.749	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.7	173	65.8	-48	0	0	0	112.6	V273	V273-D275 PolarHBondContact O-N 3.13Å
276	I	93.3	Very high	94.5	Very high	24 Å²	24	48.3 Å²	48.3	12%	0.123	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-43.6	179.3	-59	169.5	0	0	0	110.9	H212 R217 V273 E274	H212-I276 HydrophobicContact CB-CG2 3.53Å; R217-I276 PolarHBondContact NH1-O 3.3Å; V273-I276 HydrophobicContact CB-CB 4.42Å; V273-I276 HydrophobicContact CB-CD1 4.19Å; V273-I276 HydrophobicContact CG1-CD1 4.19Å; V273-I276 WeakPolarHBondContact O-CA 3.38Å; V273-I276 WeakPolarHBondContact O-CB 3.5Å; V273-I276 PolarHBondContact O-N 2.95Å; E274-I276 PolarHBondContact O-N 3.49Å
277	Y	95.2	Very high	94.5	Very high	9 Å²	9	48.2 Å²	48.2	4%	0.035	26%	0.259	C	S	.	.	S	Bend	trans	-123.7	120	-173.8	-64.2	-81.4	0	0	0	110.7	L208 H212 R217 L220 L270 V273 E274 P279 V282	L208-Y277 HydrophobicContact CB-CE2 4.06Å; L208-Y277 HydrophobicContact CD2-CE2 4.4Å; L208-Y277 PolarHBondContact O-OH 3.22Å; H212-Y277 PolarHBondContact N-OH 2.92Å; R217-Y277 HydrophobicContact CB-CE1 3.76Å; R217-Y277 HydrophobicContact CG-CE1 3.89Å; L220-Y277 HydrophobicContact CB-CE1 4.23Å; L220-Y277 HydrophobicContact CD2-CD1 3.51Å; L220-Y277 HydrophobicContact CD2-CE1 3.58Å; L220-Y277 HydrophobicContact CD2-CG 4.01Å; L270-Y277 HydrophobicContact CD2-CG 4.47Å; V273-Y277 HydrophobicContact CB-CD2 4.26Å; V273-Y277 HydrophobicContact CG2-CD2 3.92Å; V273-Y277 PolarHBondContact O-N 2.88Å; E274-Y277 WeakPolarHBondContact CA-O 3.42Å; Y277-P279 VanDerWaalsContact O-CD 3.29Å; Y277-P279 WeakPolarHBondContact O-CD 3.37Å; Y277-V282 HydrophobicContact CD1-CG2 4.23Å
278	S	94.7	Very high	94.6	Very high	49 Å²	49	51.1 Å²	51.1	34%	0.343	27%	0.266	S	S	.	.			trans	-71.9	119.5	168.7	166.9	0	0	0	0	109.8	D280 N281 V282	S278-D280 PolarHBondContact O-N 2.99Å; S278-N281 PolarHBondContact O-N 2.91Å; S278-N281 PolarHBondContact OG-N 3.17Å; S278-V282 WeakPolarHBondContact O-CG2 3.47Å; S278-V282 PolarHBondContact O-N 3.38Å
279	P	94.8	Very high	94.7	Very high	32 Å²	32	50.4 Å²	50.4	21%	0.208	27%	0.267	C	S	.	.	H	α-helix	trans	-58	-37	179	-25.2	35.2	0	0	0	113	I266 L270 E274 Y277 R283	I266-P279 HydrophobicContact CG2-CB 4.39Å; L270-P279 HydrophobicContact CB-CG 4.4Å; L270-P279 HydrophobicContact CD1-CB 4.41Å; E274-P279 HydrophobicContact CG-CG 4.25Å; Y277-P279 VanDerWaalsContact O-CD 3.29Å; Y277-P279 WeakPolarHBondContact O-CD 3.37Å; P279-R283 VanDerWaalsContact O-CB 3.24Å; P279-R283 WeakPolarHBondContact O-CB 3.32Å; P279-R283 PolarHBondContact O-N 3.22Å
280	D	94.2	Very high	94.7	Very high	112 Å²	112	50.2 Å²	50.2	60%	0.599	27%	0.266	S	S	*	.	H	α-helix	trans	-66.2	-43.6	178.2	-72.7	-31.1	0	0	0	111.6	S278 R283 Q284	S278-D280 PolarHBondContact O-N 2.99Å; D280-R283 PolarHBondContact O-N 3.28Å; D280-Q284 WeakPolarHBondContact O-CG 3.41Å; D280-Q284 PolarHBondContact O-N 2.77Å
281	N	94.4	Very high	94.8	Very high	100 Å²	100	50.2 Å²	50.2	54%	0.535	27%	0.266	S	S	.	.	H	α-helix	trans	-65.2	-47.3	179.2	-69.5	-0.7	0	0	0	111.1	S278 R283 Q284 E285	S278-N281 PolarHBondContact O-N 2.91Å; S278-N281 PolarHBondContact OG-N 3.17Å; N281-R283 VanDerWaalsContact C-N 3.25Å; N281-R283 PolarHBondContact O-N 3.21Å; N281-Q284 PolarHBondContact O-N 3.38Å; N281-Q284 VanDerWaalsContact O-N 3.11Å; N281-E285 WeakPolarHBondContact O-CG 3.25Å; N281-E285 PolarHBondContact O-N 3.46Å
282	V	96.2	Very high	94.9	Very high	6 Å²	6	48.5 Å²	48.5	4%	0.036	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-38.8	177.9	176.3	0	0	0	0	110.5	L220 L224 I266 L270 Y277 S278 E285 Y286	L220-V282 HydrophobicContact CD2-CG1 4.03Å; L220-V282 HydrophobicContact CD2-CG2 3.94Å; L220-V282 HydrophobicContact CG-CG1 4.25Å; L224-V282 HydrophobicContact CD1-CG1 3.67Å; I266-V282 HydrophobicContact CG2-CB 4.38Å; I266-V282 HydrophobicContact CG2-CG1 4.24Å; L270-V282 HydrophobicContact CD1-CB 3.97Å; L270-V282 HydrophobicContact CD1-CG1 4.17Å; L270-V282 HydrophobicContact CD1-CG2 3.89Å; Y277-V282 HydrophobicContact CD1-CG2 4.23Å; S278-V282 WeakPolarHBondContact O-CG2 3.47Å; S278-V282 PolarHBondContact O-N 3.38Å; V282-E285 PolarHBondContact O-N 3.17Å; V282-Y286 VanDerWaalsContact O-CB 3.23Å; V282-Y286 WeakPolarHBondContact O-CB 3.46Å; V282-Y286 PolarHBondContact O-N 2.74Å
283	R	96.2	Very high	95	Very high	19 Å²	19	46.3 Å²	46.3	7%	0.072	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-41.1	174.6	-178.1	173.7	-176.7	-101.8	-1.4	112.6	F259 S262 I266 P279 D280 N281 G287 S332	F259-R283 VanDerWaalsContact CE1-NH2 3.3Å; F259-R283 HydrophobicContact CE2-CG 4.09Å; F259-R283 PolarHBondContact O-NH2 2.76Å; S262-R283 PolarHBondContact OG-NE 2.86Å; I266-R283 HydrophobicContact CD1-CB 3.93Å; I266-R283 HydrophobicContact CD1-CG 4.24Å; P279-R283 VanDerWaalsContact O-CB 3.24Å; P279-R283 WeakPolarHBondContact O-CB 3.32Å; P279-R283 PolarHBondContact O-N 3.22Å; D280-R283 PolarHBondContact O-N 3.28Å; N281-R283 VanDerWaalsContact C-N 3.25Å; N281-R283 PolarHBondContact O-N 3.21Å; R283-G287 PolarHBondContact O-N 3.1Å; R283-S332 PolarHBondContact NH1-O 2.8Å; R283-S332 PolarHBondContact NH2-O 3.35Å
284	Q	96.2	Very high	95.1	Very high	42 Å²	42	46.2 Å²	46.2	20%	0.196	24%	0.24	C	C	.	.	H	α-helix	trans	-65.2	-46	176.7	-67.1	-54	-42.8	0	0	111.7	D280 N281 Y286 G287 Q288 G333	D280-Q284 WeakPolarHBondContact O-CG 3.41Å; D280-Q284 PolarHBondContact O-N 2.77Å; N281-Q284 PolarHBondContact O-N 3.38Å; N281-Q284 VanDerWaalsContact O-N 3.11Å; Q284-Y286 VanDerWaalsContact C-N 3.33Å; Q284-Y286 PolarHBondContact O-N 3.15Å; Q284-G287 CarbonylContact O-C 3.6Å; Q284-G287 WeakPolarHBondContact O-CA 3.28Å; Q284-G287 PolarHBondContact O-N 3.1Å; Q284-G287 VanDerWaalsContact O-N 3.13Å; Q284-Q288 WeakPolarHBondContact O-CG 3.45Å; Q284-Q288 PolarHBondContact O-N 2.68Å; Q284-G333 PolarHBondContact NE2-O 3.01Å
285	E	96	Very high	95.3	Very high	76 Å²	76	42 Å²	42	36%	0.355	22%	0.22	S	C	.	.	H	α-helix	trans	-64.1	-37.9	177.8	-68.2	174	-173.6	0	0	112.1	A221 N281 V282 Q288 S289	A221-E285 HydrophobicContact CB-CB 3.34Å; N281-E285 WeakPolarHBondContact O-CG 3.25Å; N281-E285 PolarHBondContact O-N 3.46Å; V282-E285 PolarHBondContact O-N 3.17Å; E285-Q288 PolarHBondContact O-N 3.47Å; E285-S289 PolarHBondContact O-N 3.2Å; E285-S289 PolarHBondContact O-OG 2.95Å
286	Y	96.3	Very high	95.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-45.2	171.1	169.7	-95.4	0	0	0	111	L224 C225 F228 F259 W265 I266 V282 Q284 Q288 S289 M290	L224-Y286 HydrophobicContact CB-CD2 4.14Å; C225-Y286 HydrophobicContact CB-CD2 4.42Å; F228-Y286 AromaticContact CD2-CE2 3.99Å; F228-Y286 HydrophobicContact CD2-CE2 3.99Å; F228-Y286 WeakPolarHBondContact CE1-OH 3.47Å; F228-Y286 AromaticContact CE2-CE2 3.97Å; F228-Y286 HydrophobicContact CE2-CE2 3.97Å; F228-Y286 WeakPolarHBondContact CE2-OH 3.43Å; F228-Y286 WeakPolarHBondContact CZ-OH 3.33Å; F259-Y286 HydrophobicContact CD2-CD1 4.42Å; W265-Y286 HydrophobicContact CH2-CD2 4.34Å; W265-Y286 HydrophobicContact CH2-CE2 4.01Å; W265-Y286 HydrophobicContact CZ2-CE1 4.16Å; W265-Y286 HydrophobicContact CZ2-CE2 4.05Å; W265-Y286 AromaticContact CZ2-CZ 3.72Å; I266-Y286 HydrophobicContact CD1-CD1 4.3Å; I266-Y286 HydrophobicContact CD1-CG 4.3Å; V282-Y286 VanDerWaalsContact O-CB 3.23Å; V282-Y286 WeakPolarHBondContact O-CB 3.46Å; V282-Y286 PolarHBondContact O-N 2.74Å; Q284-Y286 VanDerWaalsContact C-N 3.33Å; Q284-Y286 PolarHBondContact O-N 3.15Å; Y286-Q288 VanDerWaalsContact C-N 3.35Å; Y286-Q288 PolarHBondContact O-N 2.9Å; Y286-S289 WeakPolarHBondContact O-CB 3.32Å; Y286-S289 PolarHBondContact O-N 3.27Å; Y286-M290 HydrophobicContact CD1-CG 4.35Å; Y286-M290 HydrophobicContact CE1-CE 4.16Å; Y286-M290 HydrophobicContact CE1-CG 3.96Å; Y286-M290 HydrophobicContact CE2-CE 3.93Å; Y286-M290 HydrophobicContact CE2-CG 4.29Å; Y286-M290 VanDerWaalsContact CZ-CE 3.42Å; Y286-M290 WeakPolarHBondContact O-CB 3.47Å; Y286-M290 WeakPolarHBondContact O-CG 3.45Å; Y286-M290 PolarHBondContact O-N 3.05Å; Y286-M290 WeakPolarHBondContact OH-CE 3.41Å
287	G	96.6	Very high	95.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.5	-43.5	174.7	0	0	0	0	0	112.6	R283 Q284 S289 M290 V291	R283-G287 PolarHBondContact O-N 3.1Å; Q284-G287 CarbonylContact O-C 3.6Å; Q284-G287 WeakPolarHBondContact O-CA 3.28Å; Q284-G287 PolarHBondContact O-N 3.1Å; Q284-G287 VanDerWaalsContact O-N 3.13Å; G287-S289 PolarHBondContact O-N 3.31Å; G287-M290 WeakPolarHBondContact O-CB 3.37Å; G287-M290 PolarHBondContact O-N 3.19Å; G287-V291 WeakPolarHBondContact O-CG2 3.46Å; G287-V291 PolarHBondContact O-N 3.44Å
288	Q	96.5	Very high	95.4	Very high	84 Å²	84	41.7 Å²	41.7	39%	0.393	21%	0.211	S	C	.	.	H	α-helix	trans	-61.4	-45.5	175.3	-72.1	170.7	-1.4	0	0	111.1	Q284 E285 Y286 M290 V291 E292 Y334 S338	Q284-Q288 WeakPolarHBondContact O-CG 3.45Å; Q284-Q288 PolarHBondContact O-N 2.68Å; E285-Q288 PolarHBondContact O-N 3.47Å; Y286-Q288 VanDerWaalsContact C-N 3.35Å; Y286-Q288 PolarHBondContact O-N 2.9Å; Q288-M290 PolarHBondContact O-N 3.24Å; Q288-V291 PolarHBondContact O-N 2.89Å; Q288-E292 WeakPolarHBondContact O-CG 2.94Å; Q288-E292 PolarHBondContact O-N 3.47Å; Q288-Y334 HydrophobicContact CG-CE2 3.94Å; Q288-Y334 WeakPolarHBondContact CG-OH 3.48Å; Q288-S338 PolarHBondContact NE2-OG 3.16Å; Q288-S338 VanDerWaalsContact NE2-OG 3.17Å
289	S	95.3	Very high	95.4	Very high	37 Å²	37	41.2 Å²	41.2	26%	0.259	21%	0.207	S	C	.	.	H	α-helix	trans	-60.4	-35.8	176.8	-58.3	0	0	0	0	112.3	E285 Y286 G287 L293	E285-S289 PolarHBondContact O-N 3.2Å; E285-S289 PolarHBondContact O-OG 2.95Å; Y286-S289 WeakPolarHBondContact O-CB 3.32Å; Y286-S289 PolarHBondContact O-N 3.27Å; G287-S289 PolarHBondContact O-N 3.31Å; S289-L293 PolarHBondContact O-N 2.97Å; S289-L293 VanDerWaalsContact O-N 3.15Å
290	M	95.6	Very high	95.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-71	-42	176	-80.4	-60.9	-149.6	0	0	112.9	F228 I255 W258 Y286 G287 Q288 E292 L293 A294	F228-M290 HydrophobicContact CB-CE 3.44Å; F228-M290 VanDerWaalsContact CB-CE 3.44Å; F228-M290 HydrophobicContact CB-SD 4.32Å; F228-M290 HydrophobicContact CD1-CE 3.6Å; F228-M290 HydrophobicContact CD2-CE 4.21Å; F228-M290 HydrophobicContact CE1-CE 4.37Å; F228-M290 HydrophobicContact CG-CE 3.49Å; F228-M290 VanDerWaalsContact CG-CE 3.49Å; I255-M290 HydrophobicContact CG2-CB 3.86Å; I255-M290 HydrophobicContact CG2-SD 4.46Å; W258-M290 HydrophobicContact CB-CE 3.64Å; W258-M290 HydrophobicContact CD2-CE 4.07Å; W258-M290 HydrophobicContact CE3-CE 3.57Å; W258-M290 HydrophobicContact CE3-SD 4.25Å; W258-M290 HydrophobicContact CG-CE 4.16Å; W258-M290 HydrophobicContact CZ3-CE 4.45Å; Y286-M290 HydrophobicContact CD1-CG 4.35Å; Y286-M290 HydrophobicContact CE1-CE 4.16Å; Y286-M290 HydrophobicContact CE1-CG 3.96Å; Y286-M290 HydrophobicContact CE2-CE 3.93Å; Y286-M290 HydrophobicContact CE2-CG 4.29Å; Y286-M290 VanDerWaalsContact CZ-CE 3.42Å; Y286-M290 WeakPolarHBondContact O-CB 3.47Å; Y286-M290 WeakPolarHBondContact O-CG 3.45Å; Y286-M290 PolarHBondContact O-N 3.05Å; Y286-M290 WeakPolarHBondContact OH-CE 3.41Å; G287-M290 WeakPolarHBondContact O-CB 3.37Å; G287-M290 PolarHBondContact O-N 3.19Å; Q288-M290 PolarHBondContact O-N 3.24Å; M290-E292 VanDerWaalsContact C-N 3.34Å; M290-L293 WeakPolarHBondContact O-CB 3.48Å; M290-L293 PolarHBondContact O-N 3.42Å; M290-L293 HydrophobicContact SD-CD2 4.34Å; M290-A294 PolarHBondContact O-N 3.15Å
291	V	96.7	Very high	95	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.6	-39.2	174.4	170.6	0	0	0	0	110.9	G287 Q288 L293 A294 K295 F325 M329 Y334	G287-V291 WeakPolarHBondContact O-CG2 3.46Å; G287-V291 PolarHBondContact O-N 3.44Å; Q288-V291 PolarHBondContact O-N 2.89Å; V291-L293 VanDerWaalsContact C-N 3.3Å; V291-L293 PolarHBondContact O-N 3.47Å; V291-A294 WeakPolarHBondContact O-CB 3.3Å; V291-A294 PolarHBondContact O-N 3.3Å; V291-K295 HydrophobicContact CG1-CD 4.31Å; V291-K295 HydrophobicContact CG1-CG 4.39Å; V291-K295 WeakPolarHBondContact O-CG 3.38Å; V291-K295 PolarHBondContact O-N 2.93Å; V291-F325 HydrophobicContact CG2-CE1 4.26Å; V291-F325 HydrophobicContact CG2-CZ 4.46Å; V291-M329 HydrophobicContact CG2-CE 3.68Å; V291-Y334 HydrophobicContact CG2-CE1 4.06Å; V291-Y334 HydrophobicContact CG2-CE2 4.38Å
292	E	95.7	Very high	94.9	Very high	107 Å²	107	35 Å²	35	50%	0.5	17%	0.17	S	C	.	.	H	α-helix	trans	-64.5	-34.2	174.7	-70.9	-54.4	129.7	0	0	112.6	Q288 M290 K295 K296	Q288-E292 WeakPolarHBondContact O-CG 2.94Å; Q288-E292 PolarHBondContact O-N 3.47Å; M290-E292 VanDerWaalsContact C-N 3.34Å; E292-K295 PolarHBondContact O-N 3.31Å; E292-K295 WeakPolarHBondContact OE1-CD 3.39Å; E292-K295 IonicContact OE1-NZ 2.97Å; E292-K295 PolarHBondContact OE1-NZ 3.45Å; E292-K296 PolarHBondContact O-N 3.48Å
293	L	94.5	Very high	94.7	Very high	25 Å²	25	37.4 Å²	37.4	13%	0.131	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-44.3	171.7	-179.1	63.8	0	0	0	111.6	A229 F232 I255 S289 M290 V291 K296 R297	A229-L293 HydrophobicContact CB-CD1 4.36Å; A229-L293 HydrophobicContact CB-CD2 4.16Å; F232-L293 HydrophobicContact CB-CD2 3.74Å; F232-L293 HydrophobicContact CB-CG 4.46Å; F232-L293 HydrophobicContact CD1-CD1 3.79Å; F232-L293 HydrophobicContact CD1-CD2 4.08Å; F232-L293 HydrophobicContact CD1-CG 3.87Å; F232-L293 HydrophobicContact CD2-CD2 4.11Å; F232-L293 HydrophobicContact CD2-CG 4.41Å; F232-L293 HydrophobicContact CE1-CD1 4.27Å; F232-L293 HydrophobicContact CE1-CG 4.21Å; F232-L293 HydrophobicContact CG-CD1 4.28Å; F232-L293 HydrophobicContact CG-CD2 3.71Å; F232-L293 HydrophobicContact CG-CG 3.99Å; I255-L293 HydrophobicContact CD1-CG 4.49Å; S289-L293 PolarHBondContact O-N 2.97Å; S289-L293 VanDerWaalsContact O-N 3.15Å; M290-L293 WeakPolarHBondContact O-CB 3.48Å; M290-L293 PolarHBondContact O-N 3.42Å; M290-L293 HydrophobicContact SD-CD2 4.34Å; V291-L293 VanDerWaalsContact C-N 3.3Å; V291-L293 PolarHBondContact O-N 3.47Å; L293-K296 PolarHBondContact O-N 2.95Å; L293-R297 PolarHBondContact O-N 3.22Å
294	A	95.6	Very high	94.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.7	-49.9	174.2	0	0	0	0	0	111.2	L252 I255 M290 V291 K296 R297 L298 F325	L252-A294 HydrophobicContact CD2-CB 3.83Å; I255-A294 HydrophobicContact CD1-CB 3.54Å; M290-A294 PolarHBondContact O-N 3.15Å; V291-A294 WeakPolarHBondContact O-CB 3.3Å; V291-A294 PolarHBondContact O-N 3.3Å; A294-K296 VanDerWaalsContact C-N 3.29Å; A294-K296 PolarHBondContact O-N 2.85Å; A294-R297 PolarHBondContact O-N 2.91Å; A294-L298 WeakPolarHBondContact O-CB 3.24Å; A294-L298 PolarHBondContact O-N 3.41Å; A294-F325 HydrophobicContact CB-CE1 4.47Å; A294-F325 HydrophobicContact CB-CZ 4.47Å
295	K	96.1	Very high	94.1	Very high	20 Å²	20	39.8 Å²	39.8	9%	0.087	20%	0.196	C	C	.	.	H	α-helix	trans	-57.4	-40.8	-179.3	-77.1	177.5	-175.5	165.2	0	112.6	V291 E292 R297 L298 S299 V339 G340 L344	V291-K295 HydrophobicContact CG1-CD 4.31Å; V291-K295 HydrophobicContact CG1-CG 4.39Å; V291-K295 WeakPolarHBondContact O-CG 3.38Å; V291-K295 PolarHBondContact O-N 2.93Å; E292-K295 PolarHBondContact O-N 3.31Å; E292-K295 WeakPolarHBondContact OE1-CD 3.39Å; E292-K295 IonicContact OE1-NZ 2.97Å; E292-K295 PolarHBondContact OE1-NZ 3.45Å; K295-R297 VanDerWaalsContact C-N 3.28Å; K295-R297 PolarHBondContact O-N 2.85Å; K295-L298 PolarHBondContact O-N 3.26Å; K295-S299 VanDerWaalsContact O-CB 3.24Å; K295-S299 WeakPolarHBondContact O-CB 3.2Å; K295-S299 PolarHBondContact O-N 2.88Å; K295-V339 PolarHBondContact NZ-O 3.26Å; K295-G340 WeakPolarHBondContact CE-O 3.47Å; K295-G340 PolarHBondContact NZ-O 3.1Å; K295-L344 HydrophobicContact CB-CD1 4.2Å; K295-L344 HydrophobicContact CB-CD2 4.26Å; K295-L344 HydrophobicContact CB-CG 4.47Å; K295-L344 HydrophobicContact CG-CD1 4.12Å; K295-L344 HydrophobicContact CG-CD2 4.33Å; K295-L344 HydrophobicContact CG-CG 4.16Å
296	K	94	Very high	93.8	Very high	145 Å²	145	38 Å²	38	63%	0.63	19%	0.188	S	C	*	.	H	α-helix	trans	-59.7	-39.7	177.9	-174.5	179.3	178.2	-177.2	0	112.1	E292 L293 A294	E292-K296 PolarHBondContact O-N 3.48Å; L293-K296 PolarHBondContact O-N 2.95Å; A294-K296 VanDerWaalsContact C-N 3.29Å; A294-K296 PolarHBondContact O-N 2.85Å
297	R	92.7	Very high	93.4	Very high	21 Å²	21	43.1 Å²	43.1	8%	0.079	22%	0.223	C	C	.	.	H	α-helix	trans	-75.8	-47.3	177.1	-178.7	57.7	-174.1	-169.8	-4.9	111.5	F232 D239 Y251 L293 A294 K295 S299 Q300 D301	F232-R297 HydrophobicContact CE1-CB 4.1Å; F232-R297 HydrophobicContact CZ-CB 4.12Å; F232-R297 HydrophobicContact CZ-CG 4.43Å; D239-R297 IonicContact OD1-NH1 2.74Å; Y251-R297 HydrophobicContact CD1-CG 4.22Å; Y251-R297 HydrophobicContact CE1-CG 3.7Å; Y251-R297 HydrophobicContact CE2-CB 4.36Å; Y251-R297 HydrophobicContact CE2-CG 4.12Å; L293-R297 PolarHBondContact O-N 3.22Å; A294-R297 PolarHBondContact O-N 2.91Å; K295-R297 VanDerWaalsContact C-N 3.28Å; K295-R297 PolarHBondContact O-N 2.85Å; R297-S299 VanDerWaalsContact C-N 3.26Å; R297-S299 PolarHBondContact O-N 3.22Å; R297-Q300 WeakPolarHBondContact O-CA 3.34Å; R297-Q300 WeakPolarHBondContact O-CB 3.45Å; R297-Q300 PolarHBondContact O-N 3.07Å; R297-D301 IonicContact CZ-OD1 3.79Å; R297-D301 IonicContact NE-OD1 3.8Å; R297-D301 PolarHBondContact NE-OD1 3.36Å; R297-D301 IonicContact NE-OD2 2.66Å; R297-D301 IonicContact NH2-OD1 2.7Å; R297-D301 PolarHBondContact O-N 3.48Å; R297-D301 VanDerWaalsContact O-N 3.08Å
298	L	94.8	Very high	92.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-55.5	-40.1	176.6	-80.4	165	0	0	0	112.5	A248 Y251 L252 A294 K295 Q300 D301 L302 L318 M322 C341 L344	A248-L298 HydrophobicContact CB-CD2 4.31Å; Y251-L298 HydrophobicContact CE2-CD2 4.41Å; Y251-L298 HydrophobicContact CE2-CG 4.14Å; Y251-L298 WeakPolarHBondContact OH-CD2 3.15Å; Y251-L298 WeakPolarHBondContact OH-CG 3.2Å; L252-L298 HydrophobicContact CD1-CD2 4.46Å; L252-L298 HydrophobicContact CD2-CD1 4.01Å; A294-L298 WeakPolarHBondContact O-CB 3.24Å; A294-L298 PolarHBondContact O-N 3.41Å; K295-L298 PolarHBondContact O-N 3.26Å; L298-Q300 VanDerWaalsContact C-N 3.27Å; L298-Q300 PolarHBondContact O-N 3.38Å; L298-D301 PolarHBondContact O-N 2.81Å; L298-L302 WeakPolarHBondContact O-CB 3.34Å; L298-L302 VanDerWaalsContact O-CG 3.24Å; L298-L302 WeakPolarHBondContact O-CG 3.21Å; L298-L302 PolarHBondContact O-N 3.47Å; L298-L318 HydrophobicContact CD2-CD2 4.22Å; L298-M322 HydrophobicContact CD1-CG 3.73Å; L298-M322 HydrophobicContact CD1-SD 4.05Å; L298-M322 HydrophobicContact CD2-CG 3.75Å; L298-M322 HydrophobicContact CD2-SD 4.14Å; L298-M322 HydrophobicContact CG-CG 4.37Å; L298-C341 HydrophobicContact CD1-CB 3.7Å; L298-C341 VanDerWaalsContact CD1-SG 3.57Å; L298-L344 HydrophobicContact CB-CD1 3.53Å; L298-L344 HydrophobicContact CD1-CD1 4.24Å
299	S	94.4	Very high	91	Very high	39 Å²	39	47.8 Å²	47.8	27%	0.273	26%	0.259	S	S	.	.	H	α-helix	trans	-59.1	-39.1	176	-178.9	0	0	0	0	111.6	K295 R297 Q303	K295-S299 VanDerWaalsContact O-CB 3.24Å; K295-S299 WeakPolarHBondContact O-CB 3.2Å; K295-S299 PolarHBondContact O-N 2.88Å; R297-S299 VanDerWaalsContact C-N 3.26Å; R297-S299 PolarHBondContact O-N 3.22Å; S299-Q303 WeakPolarHBondContact O-CB 3.37Å; S299-Q303 WeakPolarHBondContact O-CG 3.44Å; S299-Q303 PolarHBondContact O-N 2.92Å; S299-Q303 VanDerWaalsContact O-N 3.09Å
300	Q	90.4	Very high	89.6	Confident	94 Å²	94	51 Å²	51	44%	0.439	28%	0.28	S	S	.	.	H	α-helix	trans	-66.9	-46.1	174.6	-62.4	173.3	-18.1	0	0	111.4	R297 L298 Q303 L304	R297-Q300 WeakPolarHBondContact O-CA 3.34Å; R297-Q300 WeakPolarHBondContact O-CB 3.45Å; R297-Q300 PolarHBondContact O-N 3.07Å; L298-Q300 VanDerWaalsContact C-N 3.27Å; L298-Q300 PolarHBondContact O-N 3.38Å; Q300-Q303 PolarHBondContact O-N 3.47Å; Q300-L304 WeakPolarHBondContact O-CG 3.45Å; Q300-L304 PolarHBondContact O-N 3.06Å
301	D	90.6	Very high	88.6	Confident	20 Å²	20	54.5 Å²	54.5	11%	0.107	30%	0.296	C	S	.	.	H	α-helix	trans	-65.3	-40.4	-178.4	-62	-21.1	0	0	0	111.6	Y251 R297 L298 L304 A305 L318	Y251-D301 VanDerWaalsContact CE1-OD2 3.23Å; Y251-D301 WeakPolarHBondContact CE1-OD2 3.23Å; Y251-D301 VanDerWaalsContact CZ-OD2 3.31Å; Y251-D301 PolarHBondContact OH-OD2 3.37Å; R297-D301 IonicContact CZ-OD1 3.79Å; R297-D301 IonicContact NE-OD1 3.8Å; R297-D301 PolarHBondContact NE-OD1 3.36Å; R297-D301 IonicContact NE-OD2 2.66Å; R297-D301 IonicContact NH2-OD1 2.7Å; R297-D301 PolarHBondContact O-N 3.48Å; R297-D301 VanDerWaalsContact O-N 3.08Å; L298-D301 PolarHBondContact O-N 2.81Å; D301-L304 PolarHBondContact O-N 2.97Å; D301-A305 WeakPolarHBondContact O-CB 3.39Å; D301-A305 PolarHBondContact O-N 2.93Å; D301-L318 HydrophobicContact CB-CD1 4.04Å; D301-L318 HydrophobicContact CB-CD2 4.09Å
302	L	93	Very high	88.1	Confident	1 Å²	1	56 Å²	56	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-62.1	-45.2	174.2	-73.8	167.8	0	0	0	111.2	L298 L304 A305 I306 F315 L318 M322 L344 V350	L298-L302 WeakPolarHBondContact O-CB 3.34Å; L298-L302 VanDerWaalsContact O-CG 3.24Å; L298-L302 WeakPolarHBondContact O-CG 3.21Å; L298-L302 PolarHBondContact O-N 3.47Å; L302-L304 VanDerWaalsContact C-N 3.33Å; L302-L304 PolarHBondContact O-N 3.37Å; L302-A305 PolarHBondContact O-N 3.19Å; L302-I306 WeakPolarHBondContact O-CD1 3.49Å; L302-I306 VanDerWaalsContact O-CG1 3.22Å; L302-I306 WeakPolarHBondContact O-CG1 3.39Å; L302-I306 PolarHBondContact O-N 3.47Å; L302-F315 HydrophobicContact CD2-CD2 4Å; L302-F315 HydrophobicContact CD2-CE2 3.61Å; L302-F315 HydrophobicContact CD2-CZ 4.12Å; L302-L318 HydrophobicContact CD2-CB 4.09Å; L302-L318 HydrophobicContact CD2-CD1 3.96Å; L302-L318 HydrophobicContact CG-CD1 4.28Å; L302-M322 HydrophobicContact CD1-CE 4.48Å; L302-M322 HydrophobicContact CD1-SD 4.27Å; L302-M322 HydrophobicContact CD2-CE 4.38Å; L302-L344 HydrophobicContact CD1-CB 3.92Å; L302-L344 HydrophobicContact CD1-CD1 4.01Å; L302-V350 HydrophobicContact CD1-CG1 4.29Å; L302-V350 HydrophobicContact CD2-CG1 4.49Å
303	Q	91.8	Very high	87.8	Confident	56 Å²	56	56.8 Å²	56.8	26%	0.262	32%	0.317	S	S	.	.	H	α-helix	trans	-65.3	-37.5	178.8	-70.3	-66	-25.4	0	0	112	S299 Q300 I306 C307	S299-Q303 WeakPolarHBondContact O-CB 3.37Å; S299-Q303 WeakPolarHBondContact O-CG 3.44Å; S299-Q303 PolarHBondContact O-N 2.92Å; S299-Q303 VanDerWaalsContact O-N 3.09Å; Q300-Q303 PolarHBondContact O-N 3.47Å; Q303-I306 PolarHBondContact O-N 2.76Å; Q303-C307 WeakPolarHBondContact O-CB 3.3Å; Q303-C307 PolarHBondContact O-N 3.07Å; Q303-C307 PolarHBondContact O-SG 3.48Å
304	L	88.6	Confident	87.5	Confident	109 Å²	109	58.2 Å²	58.2	57%	0.571	33%	0.326	S	S	*	.	H	α-helix	trans	-64.2	-43.4	172.6	-71.2	171.6	0	0	0	111.7	Q300 D301 L302 I306 C307 D308	Q300-L304 WeakPolarHBondContact O-CG 3.45Å; Q300-L304 PolarHBondContact O-N 3.06Å; D301-L304 PolarHBondContact O-N 2.97Å; L302-L304 VanDerWaalsContact C-N 3.33Å; L302-L304 PolarHBondContact O-N 3.37Å; L304-I306 VanDerWaalsContact C-N 3.33Å; L304-I306 PolarHBondContact O-N 3.29Å; L304-C307 PolarHBondContact O-N 2.88Å; L304-D308 PolarHBondContact O-N 3.3Å
305	A	90.1	Very high	87.4	Confident	2 Å²	2	58.2 Å²	58.2	2%	0.017	33%	0.326	C	S	.	.	H	α-helix	trans	-65	-34.5	177.2	0	0	0	0	0	112.8	D301 L302 F315 L318	D301-A305 WeakPolarHBondContact O-CB 3.39Å; D301-A305 PolarHBondContact O-N 2.93Å; L302-A305 PolarHBondContact O-N 3.19Å; A305-F315 HydrophobicContact CB-CB 4.13Å; A305-F315 HydrophobicContact CB-CD2 4.19Å; A305-L318 HydrophobicContact CB-CD1 4.13Å
306	I	91	Very high	87.3	Confident	39 Å²	39	59.1 Å²	59.1	20%	0.2	34%	0.338	C	S	.	.	H	α-helix	trans	-71.5	-39.6	175.5	-68	164.4	0	0	0	111.5	L302 Q303 L304 D308 F315 V350 F353	L302-I306 WeakPolarHBondContact O-CD1 3.49Å; L302-I306 VanDerWaalsContact O-CG1 3.22Å; L302-I306 WeakPolarHBondContact O-CG1 3.39Å; L302-I306 PolarHBondContact O-N 3.47Å; Q303-I306 PolarHBondContact O-N 2.76Å; L304-I306 VanDerWaalsContact C-N 3.33Å; L304-I306 PolarHBondContact O-N 3.29Å; I306-D308 VanDerWaalsContact C-N 3.33Å; I306-D308 PolarHBondContact O-N 3.04Å; I306-F315 HydrophobicContact CD1-CE2 4.14Å; I306-F315 HydrophobicContact CG1-CD2 4.11Å; I306-F315 HydrophobicContact CG1-CE2 3.92Å; I306-V350 HydrophobicContact CD1-CB 4.36Å; I306-V350 HydrophobicContact CD1-CG2 3.99Å; I306-F353 HydrophobicContact CB-CD2 4.4Å; I306-F353 HydrophobicContact CD1-CB 4.37Å; I306-F353 HydrophobicContact CG1-CB 4.07Å; I306-F353 HydrophobicContact CG1-CD1 4.02Å; I306-F353 HydrophobicContact CG1-CD2 4.14Å; I306-F353 HydrophobicContact CG1-CG 3.81Å; I306-F353 HydrophobicContact CG2-CD2 4.05Å; I306-F353 HydrophobicContact CG2-CG 4.45Å
307	C	87.2	Confident	87.2	Confident	107 Å²	107	57.7 Å²	57.7	72%	0.723	33%	0.333	S	S	*	.	H	α-helix	trans	-70.7	-27.9	-177.1	-73.5	0	0	0	0	113.2	Q303 L304	Q303-C307 WeakPolarHBondContact O-CB 3.3Å; Q303-C307 PolarHBondContact O-N 3.07Å; Q303-C307 PolarHBondContact O-SG 3.48Å; L304-C307 PolarHBondContact O-N 2.88Å
308	D	78.5	Confident	87.3	Confident	67 Å²	67	57.2 Å²	57.2	36%	0.358	33%	0.332	S	S	.	.	S	Bend	trans	-98.9	103.1	177.2	-165.3	-25	0	0	0	110.5	L304 I306 C310 H311	L304-D308 PolarHBondContact O-N 3.3Å; I306-D308 VanDerWaalsContact C-N 3.33Å; I306-D308 PolarHBondContact O-N 3.04Å; D308-C310 PolarHBondContact O-N 3.46Å; D308-C310 PolarHBondContact OD1-N 2.76Å; D308-H311 HydrophobicContact CB-CB 4.33Å; D308-H311 VanDerWaalsContact CB-ND1 3.34Å; D308-H311 WeakPolarHBondContact CB-ND1 3.41Å; D308-H311 VanDerWaalsContact CG-CE1 3.48Å; D308-H311 PolarHBondContact O-N 2.94Å; D308-H311 IonicContact OD2-CE1 3.57Å; D308-H311 PolarHBondContact OD2-CE1 3.48Å; D308-H311 IonicContact OD2-ND1 3.95Å; D308-H311 PolarHBondContact OD2-ND1 3.05Å; D308-H311 IonicContact OD2-NE2 3.55Å
309	S	64.9	Low	87.4	Confident	114 Å²	114	57.3 Å²	57.3	80%	0.797	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-10.9	-175.9	56.9	0	0	0	0	114.7
310	C	65.7	Low	87.4	Confident	104 Å²	104	59.3 Å²	59.3	70%	0.703	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-1.1	173.7	-80	0	0	0	0	114.3	D308	D308-C310 PolarHBondContact O-N 3.46Å; D308-C310 PolarHBondContact OD1-N 2.76Å
311	H	75	Confident	87.7	Confident	74 Å²	74	58.1 Å²	58.1	34%	0.343	34%	0.335	S	S	.	.			trans	-106.8	33.7	-171.6	-70.6	159.8	0	0	0	114.9	D308 D313 T314 F315	D308-H311 HydrophobicContact CB-CB 4.33Å; D308-H311 VanDerWaalsContact CB-ND1 3.34Å; D308-H311 WeakPolarHBondContact CB-ND1 3.41Å; D308-H311 VanDerWaalsContact CG-CE1 3.48Å; D308-H311 PolarHBondContact O-N 2.94Å; D308-H311 IonicContact OD2-CE1 3.57Å; D308-H311 PolarHBondContact OD2-CE1 3.48Å; D308-H311 IonicContact OD2-ND1 3.95Å; D308-H311 PolarHBondContact OD2-ND1 3.05Å; D308-H311 IonicContact OD2-NE2 3.55Å; H311-D313 PolarHBondContact O-N 3.01Å; H311-T314 WeakPolarHBondContact O-CB 3.38Å; H311-T314 PolarHBondContact O-N 2.85Å; H311-T314 VanDerWaalsContact O-N 3.14Å; H311-F315 PolarHBondContact O-N 2.87Å
312	A	85.9	Confident	88	Confident	31 Å²	31	57.2 Å²	57.2	26%	0.256	33%	0.33	S	S	.	.	H	α-helix	trans	-53.9	-41.8	171.5	0	0	0	0	0	112.2	F315 A316 L357	A312-F315 PolarHBondContact O-N 3.48Å; A312-A316 PolarHBondContact O-N 3Å; A312-L357 HydrophobicContact CB-CD1 3.74Å
313	D	88.1	Confident	88.2	Confident	125 Å²	125	58.7 Å²	58.7	67%	0.668	34%	0.337	S	S	*	.	H	α-helix	trans	-62	-45.6	176.3	-64.7	-22.6	0	0	0	111.2	H311 F315 A316 E317	H311-D313 PolarHBondContact O-N 3.01Å; D313-F315 VanDerWaalsContact C-N 3.32Å; D313-F315 PolarHBondContact O-N 2.79Å; D313-A316 PolarHBondContact O-N 3.44Å; D313-E317 WeakPolarHBondContact O-CG 2.93Å; D313-E317 PolarHBondContact O-N 3.38Å
314	T	89.4	Confident	88.5	Confident	55 Å²	55	58.1 Å²	58.1	34%	0.337	34%	0.342	S	S	.	.	H	α-helix	trans	-60.7	-41.5	176.5	-45.4	0	0	0	0	111.5	H311 E317 L318	H311-T314 WeakPolarHBondContact O-CB 3.38Å; H311-T314 PolarHBondContact O-N 2.85Å; H311-T314 VanDerWaalsContact O-N 3.14Å; T314-E317 PolarHBondContact O-N 3.3Å; T314-L318 VanDerWaalsContact O-CG 3.28Å; T314-L318 WeakPolarHBondContact O-CG 3.27Å; T314-L318 PolarHBondContact O-N 2.62Å
315	F	93.4	Very high	88.9	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.1	-43.9	176.7	-171.5	-82.9	0	0	0	111.4	L302 A305 I306 H311 A312 D313 L318 V319 L345 V350 F353 W354 L357	L302-F315 HydrophobicContact CD2-CD2 4Å; L302-F315 HydrophobicContact CD2-CE2 3.61Å; L302-F315 HydrophobicContact CD2-CZ 4.12Å; A305-F315 HydrophobicContact CB-CB 4.13Å; A305-F315 HydrophobicContact CB-CD2 4.19Å; I306-F315 HydrophobicContact CD1-CE2 4.14Å; I306-F315 HydrophobicContact CG1-CD2 4.11Å; I306-F315 HydrophobicContact CG1-CE2 3.92Å; H311-F315 PolarHBondContact O-N 2.87Å; A312-F315 PolarHBondContact O-N 3.48Å; D313-F315 VanDerWaalsContact C-N 3.32Å; D313-F315 PolarHBondContact O-N 2.79Å; F315-L318 WeakPolarHBondContact O-CB 3.48Å; F315-L318 PolarHBondContact O-N 3.23Å; F315-V319 HydrophobicContact CD1-CG2 3.93Å; F315-V319 HydrophobicContact CE1-CG2 3.6Å; F315-V319 HydrophobicContact CZ-CG2 4.4Å; F315-V319 WeakPolarHBondContact O-CG2 3.33Å; F315-V319 PolarHBondContact O-N 2.9Å; F315-L345 HydrophobicContact CE1-CD2 4.44Å; F315-L345 HydrophobicContact CZ-CD2 4.05Å; F315-V350 HydrophobicContact CE2-CG1 4.1Å; F315-V350 HydrophobicContact CZ-CG1 3.93Å; F315-F353 HydrophobicContact CB-CE1 3.8Å; F315-F353 AromaticContact CD1-CD1 3.98Å; F315-F353 HydrophobicContact CD1-CD1 3.98Å; F315-F353 AromaticContact CD1-CE1 3.98Å; F315-F353 HydrophobicContact CD1-CE1 3.98Å; F315-F353 AromaticContact CD2-CD1 3.58Å; F315-F353 HydrophobicContact CD2-CD1 3.58Å; F315-F353 AromaticContact CD2-CE1 3.62Å; F315-F353 HydrophobicContact CD2-CE1 3.62Å; F315-F353 HydrophobicContact CE1-CD1 4.05Å; F315-F353 AromaticContact CE2-CD1 3.64Å; F315-F353 HydrophobicContact CE2-CD1 3.64Å; F315-F353 HydrophobicContact CE2-CE1 4.18Å; F315-F353 AromaticContact CG-CD1 3.76Å; F315-F353 HydrophobicContact CG-CD1 3.76Å; F315-F353 AromaticContact CG-CE1 3.51Å; F315-F353 HydrophobicContact CG-CE1 3.51Å; F315-F353 AromaticContact CZ-CD1 3.89Å; F315-F353 HydrophobicContact CZ-CD1 3.89Å; F315-W354 HydrophobicContact CE1-CB 3.63Å; F315-W354 AromaticContact CE1-CD1 3.95Å; F315-W354 HydrophobicContact CE1-CG 4.05Å; F315-W354 HydrophobicContact CZ-CB 3.79Å; F315-L357 HydrophobicContact CB-CD2 4.36Å; F315-L357 HydrophobicContact CD1-CD2 3.67Å; F315-L357 HydrophobicContact CE1-CD2 4.47Å; F315-L357 HydrophobicContact CG-CD2 4.37Å
316	A	93.3	Very high	89.2	Confident	39 Å²	39	53.4 Å²	53.4	32%	0.322	32%	0.317	S	S	.	.	H	α-helix	trans	-62.1	-43.4	176.8	0	0	0	0	0	111.7	A312 D313 L318 V319 D320	A312-A316 PolarHBondContact O-N 3Å; D313-A316 PolarHBondContact O-N 3.44Å; A316-L318 VanDerWaalsContact C-N 3.34Å; A316-L318 PolarHBondContact O-N 3.18Å; A316-V319 WeakPolarHBondContact O-CB 3.33Å; A316-V319 PolarHBondContact O-N 3.37Å; A316-D320 PolarHBondContact O-N 3.32Å
317	E	92.4	Very high	89.5	Confident	114 Å²	114	55.2 Å²	55.2	53%	0.533	33%	0.33	S	S	.	.	H	α-helix	trans	-57.1	-46.4	173	-74	-179.8	-175.9	0	0	111.1	D313 T314 V319 D320 E321	D313-E317 WeakPolarHBondContact O-CG 2.93Å; D313-E317 PolarHBondContact O-N 3.38Å; T314-E317 PolarHBondContact O-N 3.3Å; E317-V319 VanDerWaalsContact C-N 3.3Å; E317-V319 PolarHBondContact O-N 2.91Å; E317-D320 PolarHBondContact O-N 2.95Å; E317-E321 WeakPolarHBondContact O-CB 3.37Å; E317-E321 VanDerWaalsContact O-CG 3.24Å; E317-E321 WeakPolarHBondContact O-CG 3.34Å; E317-E321 PolarHBondContact O-N 2.97Å
318	L	94.8	Very high	89.9	Confident	12 Å²	12	53.6 Å²	53.6	6%	0.063	31%	0.314	C	S	.	.	H	α-helix	trans	-59	-40.6	176.8	-70.2	171.9	0	0	0	112.4	A248 L298 D301 L302 A305 T314 F315 A316 M322	A248-L318 HydrophobicContact CB-CD2 3.5Å; L298-L318 HydrophobicContact CD2-CD2 4.22Å; D301-L318 HydrophobicContact CB-CD1 4.04Å; D301-L318 HydrophobicContact CB-CD2 4.09Å; L302-L318 HydrophobicContact CD2-CB 4.09Å; L302-L318 HydrophobicContact CD2-CD1 3.96Å; L302-L318 HydrophobicContact CG-CD1 4.28Å; A305-L318 HydrophobicContact CB-CD1 4.13Å; T314-L318 VanDerWaalsContact O-CG 3.28Å; T314-L318 WeakPolarHBondContact O-CG 3.27Å; T314-L318 PolarHBondContact O-N 2.62Å; F315-L318 WeakPolarHBondContact O-CB 3.48Å; F315-L318 PolarHBondContact O-N 3.23Å; A316-L318 VanDerWaalsContact C-N 3.34Å; A316-L318 PolarHBondContact O-N 3.18Å; L318-M322 WeakPolarHBondContact O-CB 3.15Å; L318-M322 VanDerWaalsContact O-CG 3.22Å; L318-M322 WeakPolarHBondContact O-CG 3.12Å; L318-M322 PolarHBondContact O-N 3.27Å
319	V	96.2	Very high	90.8	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.012	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-47.1	177	173.8	0	0	0	0	111.2	F315 A316 E317 M322 L323 M342 L345 R408	F315-V319 HydrophobicContact CD1-CG2 3.93Å; F315-V319 HydrophobicContact CE1-CG2 3.6Å; F315-V319 HydrophobicContact CZ-CG2 4.4Å; F315-V319 WeakPolarHBondContact O-CG2 3.33Å; F315-V319 PolarHBondContact O-N 2.9Å; A316-V319 WeakPolarHBondContact O-CB 3.33Å; A316-V319 PolarHBondContact O-N 3.37Å; E317-V319 VanDerWaalsContact C-N 3.3Å; E317-V319 PolarHBondContact O-N 2.91Å; V319-M322 HydrophobicContact CG2-CE 4.34Å; V319-M322 PolarHBondContact O-N 2.82Å; V319-L323 WeakPolarHBondContact O-CB 3.43Å; V319-L323 PolarHBondContact O-N 2.79Å; V319-M342 HydrophobicContact CG1-CE 4.39Å; V319-L345 HydrophobicContact CG1-CD1 4.06Å; V319-L345 HydrophobicContact CG2-CD1 4.16Å; V319-L345 HydrophobicContact CG2-CD2 3.98Å; V319-R408 HydrophobicContact CG1-CG 4.25Å
320	D	95.8	Very high	92.3	Very high	80 Å²	80	48.2 Å²	48.2	43%	0.428	27%	0.274	S	S	.	.	H	α-helix	trans	-67.4	-39.2	-179.3	-72.9	-22.6	0	0	0	111.6	A316 E317 L323 A324 R408	A316-D320 PolarHBondContact O-N 3.32Å; E317-D320 PolarHBondContact O-N 2.95Å; D320-L323 PolarHBondContact O-N 3.4Å; D320-A324 WeakPolarHBondContact O-CB 3.22Å; D320-A324 PolarHBondContact O-N 3.35Å; D320-R408 IonicContact OD1-NH1 2.68Å
321	E	96.3	Very high	93.7	Very high	70 Å²	70	47.7 Å²	47.7	33%	0.327	27%	0.271	S	S	.	.	H	α-helix	trans	-65.7	-39.6	175.3	-68.2	-60.8	161.5	0	0	112.3	A248 A249 L252 E317 F325	A248-E321 HydrophobicContact CB-CB 4.28Å; A248-E321 HydrophobicContact CB-CG 4.48Å; A249-E321 WeakPolarHBondContact CA-OE2 3.23Å; A249-E321 HydrophobicContact CB-CG 4.31Å; A249-E321 WeakPolarHBondContact CB-OE2 3.24Å; L252-E321 HydrophobicContact CD1-CB 4.08Å; E317-E321 WeakPolarHBondContact O-CB 3.37Å; E317-E321 VanDerWaalsContact O-CG 3.24Å; E317-E321 WeakPolarHBondContact O-CG 3.34Å; E317-E321 PolarHBondContact O-N 2.97Å; E321-F325 VanDerWaalsContact O-CB 3.23Å; E321-F325 WeakPolarHBondContact O-CB 3.43Å; E321-F325 PolarHBondContact O-N 3.41Å
322	M	97.6	Very high	94.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-41.9	173.2	-74.3	-173.7	-54.8	0	0	111.9	L298 L302 L318 V319 F325 D326 C341 M342 L344 L345	L298-M322 HydrophobicContact CD1-CG 3.73Å; L298-M322 HydrophobicContact CD1-SD 4.05Å; L298-M322 HydrophobicContact CD2-CG 3.75Å; L298-M322 HydrophobicContact CD2-SD 4.14Å; L298-M322 HydrophobicContact CG-CG 4.37Å; L302-M322 HydrophobicContact CD1-CE 4.48Å; L302-M322 HydrophobicContact CD1-SD 4.27Å; L302-M322 HydrophobicContact CD2-CE 4.38Å; L318-M322 WeakPolarHBondContact O-CB 3.15Å; L318-M322 VanDerWaalsContact O-CG 3.22Å; L318-M322 WeakPolarHBondContact O-CG 3.12Å; L318-M322 PolarHBondContact O-N 3.27Å; V319-M322 HydrophobicContact CG2-CE 4.34Å; V319-M322 PolarHBondContact O-N 2.82Å; M322-F325 PolarHBondContact O-N 3.08Å; M322-D326 WeakPolarHBondContact O-CB 3.19Å; M322-D326 PolarHBondContact O-N 2.99Å; M322-C341 HydrophobicContact CB-CB 4.32Å; M322-C341 HydrophobicContact CG-CB 4.11Å; M322-C341 HydrophobicContact SD-CB 4.42Å; M322-M342 HydrophobicContact CB-CG 4.31Å; M322-M342 HydrophobicContact CB-SD 3.59Å; M322-M342 VanDerWaalsContact CB-SD 3.59Å; M322-M342 HydrophobicContact CE-SD 4.31Å; M322-L344 HydrophobicContact SD-CD1 4.24Å; M322-L345 HydrophobicContact CE-CD1 4.08Å; M322-L345 HydrophobicContact CE-CD2 3.74Å; M322-L345 HydrophobicContact CE-CG 3.78Å
323	L	97.2	Very high	95.1	Very high	32 Å²	32	46.1 Å²	46.1	17%	0.168	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-45.5	178.3	176.4	63.2	0	0	0	111.2	V319 D320 T327 M342 R408 A411	V319-L323 WeakPolarHBondContact O-CB 3.43Å; V319-L323 PolarHBondContact O-N 2.79Å; D320-L323 PolarHBondContact O-N 3.4Å; L323-T327 WeakPolarHBondContact O-CB 3.39Å; L323-T327 PolarHBondContact O-N 3.34Å; L323-T327 PolarHBondContact O-OG1 3.4Å; L323-M342 HydrophobicContact CB-CE 4.24Å; L323-M342 HydrophobicContact CB-SD 3.96Å; L323-M342 HydrophobicContact CD1-CE 4.43Å; L323-M342 PolarHBondContact N-SD 3.17Å; L323-R408 HydrophobicContact CD2-CG 3.97Å; L323-A411 HydrophobicContact CD1-CB 3.51Å
324	A	96.8	Very high	95.5	Very high	44 Å²	44	40.6 Å²	40.6	36%	0.364	24%	0.242	S	C	.	.	H	α-helix	trans	-60.9	-48.6	176.6	0	0	0	0	0	110.8	D320 D326 T327 D328	D320-A324 WeakPolarHBondContact O-CB 3.22Å; D320-A324 PolarHBondContact O-N 3.35Å; A324-D326 PolarHBondContact O-N 3.19Å; A324-T327 PolarHBondContact O-N 3.44Å; A324-D328 WeakPolarHBondContact O-CB 3.38Å; A324-D328 PolarHBondContact O-N 3.23Å
325	F	97.6	Very high	95.6	Very high	7 Å²	7	39.9 Å²	39.9	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-58.3	-48.2	178.2	174.9	-101	0	0	0	112.8	L252 I255 L256 V291 A294 E321 M322 T327 D328 M329 C341	L252-F325 HydrophobicContact CB-CB 4.34Å; L252-F325 HydrophobicContact CB-CD2 3.75Å; L252-F325 HydrophobicContact CB-CE2 4.35Å; L252-F325 HydrophobicContact CB-CG 4.19Å; L252-F325 HydrophobicContact CD1-CB 4.04Å; L252-F325 HydrophobicContact CD1-CG 4.39Å; L252-F325 HydrophobicContact CD2-CB 4.44Å; L252-F325 HydrophobicContact CD2-CD1 4.11Å; L252-F325 HydrophobicContact CD2-CD2 3.97Å; L252-F325 HydrophobicContact CD2-CE1 4.35Å; L252-F325 HydrophobicContact CD2-CE2 4.21Å; L252-F325 HydrophobicContact CD2-CG 3.9Å; L252-F325 HydrophobicContact CD2-CZ 4.39Å; L252-F325 HydrophobicContact CG-CD2 4.35Å; L252-F325 HydrophobicContact CG-CG 4.38Å; L252-F325 WeakPolarHBondContact O-CE2 3.27Å; I255-F325 HydrophobicContact CB-CE2 4.21Å; I255-F325 HydrophobicContact CB-CZ 4.42Å; I255-F325 HydrophobicContact CG2-CE2 4.04Å; I255-F325 HydrophobicContact CG2-CZ 3.83Å; L256-F325 HydrophobicContact CB-CD2 4.25Å; L256-F325 HydrophobicContact CB-CE2 4.03Å; V291-F325 HydrophobicContact CG2-CE1 4.26Å; V291-F325 HydrophobicContact CG2-CZ 4.46Å; A294-F325 HydrophobicContact CB-CE1 4.47Å; A294-F325 HydrophobicContact CB-CZ 4.47Å; E321-F325 VanDerWaalsContact O-CB 3.23Å; E321-F325 WeakPolarHBondContact O-CB 3.43Å; E321-F325 PolarHBondContact O-N 3.41Å; M322-F325 PolarHBondContact O-N 3.08Å; F325-T327 PolarHBondContact O-N 3.46Å; F325-D328 PolarHBondContact O-N 2.95Å; F325-M329 HydrophobicContact CD1-CG 4.16Å; F325-M329 HydrophobicContact CD2-CG 4.18Å; F325-M329 HydrophobicContact CE1-CG 3.75Å; F325-M329 HydrophobicContact CE2-CG 3.78Å; F325-M329 HydrophobicContact CE2-SD 4.03Å; F325-M329 HydrophobicContact CG-CG 4.36Å; F325-M329 HydrophobicContact CZ-CE 4.48Å; F325-M329 HydrophobicContact CZ-CG 3.56Å; F325-M329 HydrophobicContact CZ-SD 3.86Å; F325-M329 WeakPolarHBondContact O-CB 3.44Å; F325-M329 VanDerWaalsContact O-CG 3.24Å; F325-M329 WeakPolarHBondContact O-CG 3.36Å; F325-M329 PolarHBondContact O-N 3.08Å; F325-C341 HydrophobicContact CD1-CB 4.24Å; F325-C341 VanDerWaalsContact CE1-SG 3.59Å
326	D	97	Very high	95.2	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.027	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-44.3	179	-82.6	-2.7	0	0	0	111.3	M322 A324 D328 M329 F330 G340 C341 M342	M322-D326 WeakPolarHBondContact O-CB 3.19Å; M322-D326 PolarHBondContact O-N 2.99Å; A324-D326 PolarHBondContact O-N 3.19Å; D326-D328 VanDerWaalsContact C-N 3.32Å; D326-D328 PolarHBondContact O-N 3.23Å; D326-M329 PolarHBondContact O-N 3.3Å; D326-F330 HydrophobicContact CB-CD2 4.45Å; D326-F330 HydrophobicContact CB-CE2 3.97Å; D326-F330 WeakPolarHBondContact O-CD2 3.33Å; D326-F330 VanDerWaalsContact O-CG 3.3Å; D326-F330 WeakPolarHBondContact O-CG 3.41Å; D326-F330 PolarHBondContact O-N 2.94Å; D326-G340 VanDerWaalsContact OD1-CA 3.3Å; D326-G340 WeakPolarHBondContact OD1-CA 3.24Å; D326-G340 WeakPolarHBondContact OD2-CA 3.49Å; D326-C341 VanDerWaalsContact CG-N 3.28Å; D326-C341 PolarHBondContact OD1-N 3.04Å; D326-C341 PolarHBondContact OD2-N 3.15Å; D326-M342 HydrophobicContact CB-CG 4.43Å; D326-M342 WeakPolarHBondContact OD2-CB 3.34Å; D326-M342 VanDerWaalsContact OD2-CG 3.27Å; D326-M342 WeakPolarHBondContact OD2-CG 3.48Å; D326-M342 PolarHBondContact OD2-N 3.07Å
327	T	95.8	Very high	94.9	Very high	77 Å²	77	47.4 Å²	47.4	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-58	-45.8	176.9	-57.7	0	0	0	0	111.3	L323 A324 F325 F330 S331	L323-T327 WeakPolarHBondContact O-CB 3.39Å; L323-T327 PolarHBondContact O-N 3.34Å; L323-T327 PolarHBondContact O-OG1 3.4Å; A324-T327 PolarHBondContact O-N 3.44Å; F325-T327 PolarHBondContact O-N 3.46Å; T327-F330 PolarHBondContact O-N 3.15Å; T327-S331 WeakPolarHBondContact O-CB 3.27Å; T327-S331 PolarHBondContact O-N 3.03Å; T327-S331 PolarHBondContact O-OG 3.21Å
328	D	97.1	Very high	94.8	Very high	74 Å²	74	42.4 Å²	42.4	40%	0.396	27%	0.267	S	S	.	.	H	α-helix	trans	-69.7	-38.1	179.8	-74.1	-13.6	0	0	0	112.4	L256 A324 F325 D326 S331 S332	L256-D328 HydrophobicContact CD1-CB 3.98Å; L256-D328 HydrophobicContact CD2-CB 3.61Å; L256-D328 HydrophobicContact CG-CB 4.46Å; A324-D328 WeakPolarHBondContact O-CB 3.38Å; A324-D328 PolarHBondContact O-N 3.23Å; F325-D328 PolarHBondContact O-N 2.95Å; D326-D328 VanDerWaalsContact C-N 3.32Å; D326-D328 PolarHBondContact O-N 3.23Å; D328-S331 WeakPolarHBondContact CA-OG 3.35Å; D328-S331 PolarHBondContact O-N 3.25Å; D328-S331 PolarHBondContact O-OG 3.45Å; D328-S332 VanDerWaalsContact O-CB 3.24Å; D328-S332 WeakPolarHBondContact O-CB 3.12Å; D328-S332 PolarHBondContact O-N 3.18Å; D328-S332 PolarHBondContact O-OG 3.03Å
329	M	96.9	Very high	94.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.7	-48.6	173.9	-76.9	-69.1	-67.5	0	0	111.1	L256 F259 V291 F325 D326 S332 G333 Y334	L256-M329 HydrophobicContact CD1-CG 4.09Å; L256-M329 HydrophobicContact CD1-SD 3.75Å; F259-M329 HydrophobicContact CB-CE 4.09Å; F259-M329 HydrophobicContact CB-SD 3.99Å; F259-M329 HydrophobicContact CD1-CE 3.63Å; F259-M329 HydrophobicContact CD1-SD 3.64Å; F259-M329 HydrophobicContact CD2-CE 4.11Å; F259-M329 HydrophobicContact CE1-CE 4.06Å; F259-M329 HydrophobicContact CE1-SD 4.39Å; F259-M329 HydrophobicContact CG-CE 3.65Å; F259-M329 HydrophobicContact CG-SD 3.94Å; F259-M329 HydrophobicContact CZ-CE 4.48Å; V291-M329 HydrophobicContact CG2-CE 3.68Å; F325-M329 HydrophobicContact CD1-CG 4.16Å; F325-M329 HydrophobicContact CD2-CG 4.18Å; F325-M329 HydrophobicContact CE1-CG 3.75Å; F325-M329 HydrophobicContact CE2-CG 3.78Å; F325-M329 HydrophobicContact CE2-SD 4.03Å; F325-M329 HydrophobicContact CG-CG 4.36Å; F325-M329 HydrophobicContact CZ-CE 4.48Å; F325-M329 HydrophobicContact CZ-CG 3.56Å; F325-M329 HydrophobicContact CZ-SD 3.86Å; F325-M329 WeakPolarHBondContact O-CB 3.44Å; F325-M329 VanDerWaalsContact O-CG 3.24Å; F325-M329 WeakPolarHBondContact O-CG 3.36Å; F325-M329 PolarHBondContact O-N 3.08Å; D326-M329 PolarHBondContact O-N 3.3Å; M329-S332 CarbonylContact O-C 3.58Å; M329-S332 PolarHBondContact O-N 3.27Å; M329-G333 PolarHBondContact O-N 3.39Å; M329-Y334 HydrophobicContact CB-CD1 4.29Å; M329-Y334 HydrophobicContact CB-CG 4.49Å; M329-Y334 HydrophobicContact CE-CD1 4.41Å; M329-Y334 HydrophobicContact CE-CD2 4.17Å; M329-Y334 HydrophobicContact CE-CG 4.03Å; M329-Y334 WeakPolarHBondContact O-CB 3.24Å; M329-Y334 PolarHBondContact O-N 3.46Å
330	F	95.3	Very high	94.7	Very high	68 Å²	68	44.4 Å²	44.4	30%	0.298	28%	0.281	S	S	.	.	H	α-helix	trans	-64.1	-42.5	178.5	-63.7	-47.3	0	0	0	111.9	D326 T327 S332 G333 Y334 S335	D326-F330 HydrophobicContact CB-CD2 4.45Å; D326-F330 HydrophobicContact CB-CE2 3.97Å; D326-F330 WeakPolarHBondContact O-CD2 3.33Å; D326-F330 VanDerWaalsContact O-CG 3.3Å; D326-F330 WeakPolarHBondContact O-CG 3.41Å; D326-F330 PolarHBondContact O-N 2.94Å; T327-F330 PolarHBondContact O-N 3.15Å; F330-S332 PolarHBondContact O-N 2.93Å; F330-G333 PolarHBondContact O-N 3.24Å; F330-G333 VanDerWaalsContact O-N 3.08Å; F330-Y334 AromaticContact CD1-CD1 3.81Å; F330-Y334 HydrophobicContact CD1-CD1 3.81Å; F330-Y334 AromaticContact CE1-CD1 3.59Å; F330-Y334 HydrophobicContact CE1-CD1 3.59Å; F330-Y334 HydrophobicContact CE1-CE1 4.06Å; F330-S335 WeakPolarHBondContact CE1-O 3.24Å
331	S	95.7	Very high	94.7	Very high	92 Å²	92	40.6 Å²	40.6	64%	0.643	26%	0.26	S	S	*	.	H	α-helix	trans	-63.7	-28.4	175.7	76.8	0	0	0	0	112.9	T327 D328 G333	T327-S331 WeakPolarHBondContact O-CB 3.27Å; T327-S331 PolarHBondContact O-N 3.03Å; T327-S331 PolarHBondContact O-OG 3.21Å; D328-S331 WeakPolarHBondContact CA-OG 3.35Å; D328-S331 PolarHBondContact O-N 3.25Å; D328-S331 PolarHBondContact O-OG 3.45Å; S331-G333 PolarHBondContact O-N 3.44Å
332	S	95.5	Very high	94.8	Very high	36 Å²	36	37.3 Å²	37.3	25%	0.252	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	8.9	176	-60.5	0	0	0	0	114	V260 R283 D328 M329 F330	V260-S332 WeakPolarHBondContact CG2-OG 3.39Å; R283-S332 PolarHBondContact NH1-O 2.8Å; R283-S332 PolarHBondContact NH2-O 3.35Å; D328-S332 VanDerWaalsContact O-CB 3.24Å; D328-S332 WeakPolarHBondContact O-CB 3.12Å; D328-S332 PolarHBondContact O-N 3.18Å; D328-S332 PolarHBondContact O-OG 3.03Å; M329-S332 CarbonylContact O-C 3.58Å; M329-S332 PolarHBondContact O-N 3.27Å; F330-S332 PolarHBondContact O-N 2.93Å
333	G	94.4	Very high	94.7	Very high	37 Å²	37	39.6 Å²	39.6	38%	0.381	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	18.6	175	0	0	0	0	0	114.8	Q284 M329 F330 S331	Q284-G333 PolarHBondContact NE2-O 3.01Å; M329-G333 PolarHBondContact O-N 3.39Å; F330-G333 PolarHBondContact O-N 3.24Å; F330-G333 VanDerWaalsContact O-N 3.08Å; S331-G333 PolarHBondContact O-N 3.44Å
334	Y	95.9	Very high	94.8	Very high	8 Å²	8	38.6 Å²	38.6	3%	0.031	25%	0.25	C	S	.	.			trans	-68.2	136.9	162	-172.2	-122.9	0	0	0	109.1	F259 Q288 V291 M329 F330 S336 S338	F259-Y334 HydrophobicContact CE2-CD2 4.35Å; F259-Y334 HydrophobicContact CZ-CD2 4.14Å; F259-Y334 HydrophobicContact CZ-CG 4.44Å; Q288-Y334 HydrophobicContact CG-CE2 3.94Å; Q288-Y334 WeakPolarHBondContact CG-OH 3.48Å; V291-Y334 HydrophobicContact CG2-CE1 4.06Å; V291-Y334 HydrophobicContact CG2-CE2 4.38Å; M329-Y334 HydrophobicContact CB-CD1 4.29Å; M329-Y334 HydrophobicContact CB-CG 4.49Å; M329-Y334 HydrophobicContact CE-CD1 4.41Å; M329-Y334 HydrophobicContact CE-CD2 4.17Å; M329-Y334 HydrophobicContact CE-CG 4.03Å; M329-Y334 WeakPolarHBondContact O-CB 3.24Å; M329-Y334 PolarHBondContact O-N 3.46Å; F330-Y334 AromaticContact CD1-CD1 3.81Å; F330-Y334 HydrophobicContact CD1-CD1 3.81Å; F330-Y334 AromaticContact CE1-CD1 3.59Å; F330-Y334 HydrophobicContact CE1-CD1 3.59Å; F330-Y334 HydrophobicContact CE1-CE1 4.06Å; Y334-S336 PolarHBondContact O-N 2.96Å; Y334-S338 WeakPolarHBondContact OH-CB 3.03Å
335	S	92.9	Very high	94.8	Very high	40 Å²	40	36.5 Å²	36.5	28%	0.28	23%	0.233	S	C	.	.			trans	-63.2	131.9	-174.7	-176.3	0	0	0	0	111.7	F330 S337 S338	F330-S335 WeakPolarHBondContact CE1-O 3.24Å; S335-S337 PolarHBondContact O-N 3.08Å; S335-S337 PolarHBondContact OG-N 3.3Å; S335-S337 PolarHBondContact OG-OG 3.25Å; S335-S338 WeakPolarHBondContact O-CB 3.26Å; S335-S338 PolarHBondContact O-N 3.17Å
336	S	85.1	Confident	94.8	Very high	102 Å²	102	36.6 Å²	36.6	71%	0.713	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.4	173.3	58	0	0	0	0	113.6	Y334 S338	Y334-S336 PolarHBondContact O-N 2.96Å; S336-S338 VanDerWaalsContact C-N 3.31Å
337	S	87.3	Confident	94.8	Very high	95 Å²	95	40.3 Å²	40.3	66%	0.664	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.1	170.9	66.4	0	0	0	0	113.6	S335	S335-S337 PolarHBondContact O-N 3.08Å; S335-S337 PolarHBondContact OG-N 3.3Å; S335-S337 PolarHBondContact OG-OG 3.25Å
338	S	90	Very high	94.8	Very high	9 Å²	9	42.4 Å²	42.4	6%	0.063	26%	0.26	C	S	.	.	S	Bend	trans	-88.5	148	179	-62.6	0	0	0	0	110.8	Q288 Y334 S335 S336 G340 Q413	Q288-S338 PolarHBondContact NE2-OG 3.16Å; Q288-S338 VanDerWaalsContact NE2-OG 3.17Å; Y334-S338 WeakPolarHBondContact OH-CB 3.03Å; S335-S338 WeakPolarHBondContact O-CB 3.26Å; S335-S338 PolarHBondContact O-N 3.17Å; S336-S338 VanDerWaalsContact C-N 3.31Å; S338-G340 PolarHBondContact O-N 3.18Å; S338-Q413 PolarHBondContact O-NE2 3.13Å
339	V	92.7	Very high	94.7	Very high	55 Å²	55	45.4 Å²	45.4	33%	0.333	27%	0.272	S	S	.	.			trans	-80.4	119.4	-175	-175.6	0	0	0	0	110.1	K295 E343	K295-V339 PolarHBondContact NZ-O 3.26Å; V339-E343 HydrophobicContact CG1-CB 3.31Å; V339-E343 HydrophobicContact CG1-CG 3.53Å
340	G	95.4	Very high	94.7	Very high	2 Å²	2	45.4 Å²	45.4	2%	0.021	27%	0.272	C	S	.	.			trans	-79.8	-177.4	173.9	0	0	0	0	0	113.8	K295 D326 S338 M342	K295-G340 WeakPolarHBondContact CE-O 3.47Å; K295-G340 PolarHBondContact NZ-O 3.1Å; D326-G340 VanDerWaalsContact OD1-CA 3.3Å; D326-G340 WeakPolarHBondContact OD1-CA 3.24Å; D326-G340 WeakPolarHBondContact OD2-CA 3.49Å; S338-G340 PolarHBondContact O-N 3.18Å; G340-M342 VanDerWaalsContact C-N 3.33Å
341	C	97.1	Very high	94.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-68	-28.1	177.5	-74	0	0	0	0	113.2	L298 M322 F325 D326 E343 L344	L298-C341 HydrophobicContact CD1-CB 3.7Å; L298-C341 VanDerWaalsContact CD1-SG 3.57Å; M322-C341 HydrophobicContact CB-CB 4.32Å; M322-C341 HydrophobicContact CG-CB 4.11Å; M322-C341 HydrophobicContact SD-CB 4.42Å; F325-C341 HydrophobicContact CD1-CB 4.24Å; F325-C341 VanDerWaalsContact CE1-SG 3.59Å; D326-C341 VanDerWaalsContact CG-N 3.28Å; D326-C341 PolarHBondContact OD1-N 3.04Å; D326-C341 PolarHBondContact OD2-N 3.15Å; C341-E343 PolarHBondContact O-N 3.36Å; C341-L344 WeakPolarHBondContact O-CB 3.45Å; C341-L344 WeakPolarHBondContact O-CG 3.42Å; C341-L344 PolarHBondContact O-N 3.04Å
342	M	97.1	Very high	94.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-59.5	-21.3	178	-72.6	-64.5	-74.7	0	0	113.4	V319 M322 L323 D326 G340 L344 L345 R408 A411 V412	V319-M342 HydrophobicContact CG1-CE 4.39Å; M322-M342 HydrophobicContact CB-CG 4.31Å; M322-M342 HydrophobicContact CB-SD 3.59Å; M322-M342 VanDerWaalsContact CB-SD 3.59Å; M322-M342 HydrophobicContact CE-SD 4.31Å; L323-M342 HydrophobicContact CB-CE 4.24Å; L323-M342 HydrophobicContact CB-SD 3.96Å; L323-M342 HydrophobicContact CD1-CE 4.43Å; L323-M342 PolarHBondContact N-SD 3.17Å; D326-M342 HydrophobicContact CB-CG 4.43Å; D326-M342 WeakPolarHBondContact OD2-CB 3.34Å; D326-M342 VanDerWaalsContact OD2-CG 3.27Å; D326-M342 WeakPolarHBondContact OD2-CG 3.48Å; D326-M342 PolarHBondContact OD2-N 3.07Å; G340-M342 VanDerWaalsContact C-N 3.33Å; M342-L344 PolarHBondContact O-N 3.05Å; M342-L345 HydrophobicContact CE-CD1 3.61Å; M342-L345 WeakPolarHBondContact O-CB 3.37Å; M342-L345 PolarHBondContact O-N 3.24Å; M342-L345 VanDerWaalsContact O-N 3.08Å; M342-L345 HydrophobicContact SD-CD1 4.04Å; M342-R408 WeakPolarHBondContact CE-O 3.17Å; M342-A411 HydrophobicContact CB-CB 4.22Å; M342-A411 HydrophobicContact CE-CB 4.06Å; M342-A411 HydrophobicContact CG-CB 3.91Å; M342-V412 HydrophobicContact CE-CG2 4.44Å
343	E	96.5	Very high	94.8	Very high	49 Å²	49	45.7 Å²	45.7	23%	0.229	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-65.8	-18.5	176.3	-167.6	62.8	-163.5	0	0	113.2	V339 C341 L345 A346 Q413 N414	V339-E343 HydrophobicContact CG1-CB 3.31Å; V339-E343 HydrophobicContact CG1-CG 3.53Å; C341-E343 PolarHBondContact O-N 3.36Å; E343-L345 PolarHBondContact O-N 3.44Å; E343-A346 VanDerWaalsContact O-CB 3.27Å; E343-A346 WeakPolarHBondContact O-CB 3.28Å; E343-A346 PolarHBondContact O-N 3.34Å; E343-Q413 WeakPolarHBondContact OE2-CB 3.25Å; E343-Q413 PolarHBondContact OE2-N 3.42Å; E343-N414 WeakPolarHBondContact OE1-CB 3.5Å; E343-N414 PolarHBondContact OE2-N 2.98Å
344	L	97.6	Very high	95	Very high	11 Å²	11	44 Å²	44	6%	0.058	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-59.3	-29.7	171.1	-68.7	175.3	0	0	0	112.1	K295 L298 L302 M322 C341 M342 A346 E347	K295-L344 HydrophobicContact CB-CD1 4.2Å; K295-L344 HydrophobicContact CB-CD2 4.26Å; K295-L344 HydrophobicContact CB-CG 4.47Å; K295-L344 HydrophobicContact CG-CD1 4.12Å; K295-L344 HydrophobicContact CG-CD2 4.33Å; K295-L344 HydrophobicContact CG-CG 4.16Å; L298-L344 HydrophobicContact CB-CD1 3.53Å; L298-L344 HydrophobicContact CD1-CD1 4.24Å; L302-L344 HydrophobicContact CD1-CB 3.92Å; L302-L344 HydrophobicContact CD1-CD1 4.01Å; M322-L344 HydrophobicContact SD-CD1 4.24Å; C341-L344 WeakPolarHBondContact O-CB 3.45Å; C341-L344 WeakPolarHBondContact O-CG 3.42Å; C341-L344 PolarHBondContact O-N 3.04Å; M342-L344 PolarHBondContact O-N 3.05Å; L344-A346 PolarHBondContact O-N 3.44Å; L344-E347 WeakPolarHBondContact CD2-OE1 3.25Å; L344-E347 WeakPolarHBondContact O-CB 3.41Å; L344-E347 WeakPolarHBondContact O-CG 3.38Å; L344-E347 PolarHBondContact O-N 3.25Å
345	L	97.9	Very high	95	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-68.8	-11.7	175.7	-61.4	179.8	0	0	0	113	F315 V319 M322 M342 E343 V350 F351 W354 V412	F315-L345 HydrophobicContact CE1-CD2 4.44Å; F315-L345 HydrophobicContact CZ-CD2 4.05Å; V319-L345 HydrophobicContact CG1-CD1 4.06Å; V319-L345 HydrophobicContact CG2-CD1 4.16Å; V319-L345 HydrophobicContact CG2-CD2 3.98Å; M322-L345 HydrophobicContact CE-CD1 4.08Å; M322-L345 HydrophobicContact CE-CD2 3.74Å; M322-L345 HydrophobicContact CE-CG 3.78Å; M342-L345 HydrophobicContact CE-CD1 3.61Å; M342-L345 WeakPolarHBondContact O-CB 3.37Å; M342-L345 PolarHBondContact O-N 3.24Å; M342-L345 VanDerWaalsContact O-N 3.08Å; M342-L345 HydrophobicContact SD-CD1 4.04Å; E343-L345 PolarHBondContact O-N 3.44Å; L345-V350 HydrophobicContact CD2-CG1 3.76Å; L345-F351 WeakPolarHBondContact O-CA 3.39Å; L345-F351 WeakPolarHBondContact O-CB 3.39Å; L345-F351 WeakPolarHBondContact O-CD2 3.33Å; L345-F351 PolarHBondContact O-N 2.98Å; L345-W354 HydrophobicContact CB-CD2 4.41Å; L345-W354 HydrophobicContact CB-CE3 3.79Å; L345-W354 HydrophobicContact CB-CZ3 4.04Å; L345-W354 HydrophobicContact CD1-CD2 4Å; L345-W354 HydrophobicContact CD1-CE3 4.06Å; L345-W354 HydrophobicContact CD1-CH2 4.3Å; L345-W354 HydrophobicContact CD1-CZ2 4.25Å; L345-W354 HydrophobicContact CD1-CZ3 4.2Å; L345-W354 HydrophobicContact CD2-CD2 4.45Å; L345-W354 HydrophobicContact CD2-CG 4.4Å; L345-W354 HydrophobicContact CG-CE3 4.38Å; L345-V412 HydrophobicContact CB-CG2 4.35Å
346	A	97.4	Very high	95.2	Very high	9 Å²	9	46.1 Å²	46.1	7%	0.074	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-83.3	-15.7	178.3	0	0	0	0	0	113.8	E343 L344 V412 N414 R417	E343-A346 VanDerWaalsContact O-CB 3.27Å; E343-A346 WeakPolarHBondContact O-CB 3.28Å; E343-A346 PolarHBondContact O-N 3.34Å; L344-A346 PolarHBondContact O-N 3.44Å; A346-V412 HydrophobicContact CB-CG1 4.1Å; A346-N414 HydrophobicContact CB-CB 3.68Å; A346-R417 HydrophobicContact CB-CG 3.97Å; A346-R417 PolarHBondContact O-NE 2.88Å; A346-R417 PolarHBondContact O-NH2 2.98Å
347	E	97.1	Very high	95.7	Very high	82 Å²	82	42.4 Å²	42.4	38%	0.383	22%	0.222	S	C	.	.	S	Bend	trans	-60.1	139.2	175.6	-63.8	-178.7	-173.8	0	0	110.6	L344 E349 V350 F351	L344-E347 WeakPolarHBondContact CD2-OE1 3.25Å; L344-E347 WeakPolarHBondContact O-CB 3.41Å; L344-E347 WeakPolarHBondContact O-CG 3.38Å; L344-E347 PolarHBondContact O-N 3.25Å; E347-E349 PolarHBondContact O-N 2.87Å; E347-V350 HydrophobicContact CB-CB 4.3Å; E347-V350 HydrophobicContact CB-CG2 4.13Å; E347-V350 PolarHBondContact O-N 3.29Å; E347-F351 WeakPolarHBondContact O-CB 3.48Å; E347-F351 PolarHBondContact O-N 3.09Å
348	D	96.4	Very high	96.1	Very high	121 Å²	121	38.6 Å²	38.6	65%	0.647	19%	0.194	S	C	*	.	H	α-helix	trans	-55.8	-46.1	-166.7	-78.7	-47.1	0	0	0	114.3	K352 R417	D348-K352 WeakPolarHBondContact O-CB 3.39Å; D348-K352 PolarHBondContact O-N 2.92Å; D348-K352 VanDerWaalsContact O-N 3.16Å; D348-R417 IonicContact OD1-CZ 2.68Å; D348-R417 IonicContact OD1-NH1 3.7Å; D348-R417 IonicContact OD1-NH2 3.85Å; D348-R417 PolarHBondContact OD1-NH2 3.27Å
349	E	94.5	Very high	96.5	Very high	137 Å²	137	40.5 Å²	40.5	64%	0.64	20%	0.202	S	C	*	.	H	α-helix	trans	-71.5	-44.3	-178.7	-65.5	-175.8	167.8	0	0	111.9	E347 K352 F353	E347-E349 PolarHBondContact O-N 2.87Å; E349-K352 PolarHBondContact O-N 3.36Å; E349-F353 PolarHBondContact O-N 3.08Å; E349-F353 VanDerWaalsContact O-N 3.11Å
350	V	96.4	Very high	96.6	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-65.5	-45.4	179.2	-174.9	0	0	0	0	110.6	L302 I306 F315 L345 E347 K352 F353 W354	L302-V350 HydrophobicContact CD1-CG1 4.29Å; L302-V350 HydrophobicContact CD2-CG1 4.49Å; I306-V350 HydrophobicContact CD1-CB 4.36Å; I306-V350 HydrophobicContact CD1-CG2 3.99Å; F315-V350 HydrophobicContact CE2-CG1 4.1Å; F315-V350 HydrophobicContact CZ-CG1 3.93Å; L345-V350 HydrophobicContact CD2-CG1 3.76Å; E347-V350 HydrophobicContact CB-CB 4.3Å; E347-V350 HydrophobicContact CB-CG2 4.13Å; E347-V350 PolarHBondContact O-N 3.29Å; V350-K352 VanDerWaalsContact C-N 3.33Å; V350-K352 PolarHBondContact O-N 2.96Å; V350-F353 PolarHBondContact O-N 2.69Å; V350-W354 WeakPolarHBondContact O-CB 3.28Å; V350-W354 PolarHBondContact O-N 2.93Å
351	F	98	Very high	96.6	Very high	12 Å²	12	47.7 Å²	47.7	5%	0.053	23%	0.234	C	C	.	.	H	α-helix	trans	-59.8	-44.7	178	-177.5	-102.1	0	0	0	111.5	L345 E347 W354 S355 R417 Q420 M421	L345-F351 WeakPolarHBondContact O-CA 3.39Å; L345-F351 WeakPolarHBondContact O-CB 3.39Å; L345-F351 WeakPolarHBondContact O-CD2 3.33Å; L345-F351 PolarHBondContact O-N 2.98Å; E347-F351 WeakPolarHBondContact O-CB 3.48Å; E347-F351 PolarHBondContact O-N 3.09Å; F351-W354 AromaticContact CD2-CE3 3.86Å; F351-W354 HydrophobicContact CD2-CE3 3.86Å; F351-W354 HydrophobicContact CD2-CZ3 4.04Å; F351-W354 HydrophobicContact CE2-CE3 4.06Å; F351-W354 AromaticContact CE2-CZ3 3.95Å; F351-W354 HydrophobicContact CE2-CZ3 3.95Å; F351-W354 PolarHBondContact O-N 3.21Å; F351-S355 VanDerWaalsContact O-CB 3.26Å; F351-S355 WeakPolarHBondContact O-CB 3.48Å; F351-S355 PolarHBondContact O-N 2.94Å; F351-R417 HydrophobicContact CD2-CB 4.02Å; F351-R417 HydrophobicContact CD2-CG 3.94Å; F351-R417 HydrophobicContact CE2-CB 3.69Å; F351-R417 HydrophobicContact CE2-CG 4.05Å; F351-R417 HydrophobicContact CG-CG 4.39Å; F351-R417 HydrophobicContact CZ-CB 4.28Å; F351-Q420 HydrophobicContact CE1-CB 4.16Å; F351-Q420 HydrophobicContact CZ-CB 3.74Å; F351-M421 HydrophobicContact CE2-CG 3.91Å; F351-M421 HydrophobicContact CE2-SD 4.26Å; F351-M421 HydrophobicContact CZ-CG 4.14Å; F351-M421 HydrophobicContact CZ-SD 4.24Å
352	K	96.1	Very high	96.6	Very high	137 Å²	137	48.3 Å²	48.3	60%	0.596	24%	0.237	S	C	*	.	H	α-helix	trans	-61	-49.4	179.2	-177.1	-177.4	175.6	-171.4	0	110.5	D348 E349 V350 W354 S355 D356	D348-K352 WeakPolarHBondContact O-CB 3.39Å; D348-K352 PolarHBondContact O-N 2.92Å; D348-K352 VanDerWaalsContact O-N 3.16Å; E349-K352 PolarHBondContact O-N 3.36Å; V350-K352 VanDerWaalsContact C-N 3.33Å; V350-K352 PolarHBondContact O-N 2.96Å; K352-W354 PolarHBondContact O-N 3.36Å; K352-S355 PolarHBondContact O-N 3.46Å; K352-D356 WeakPolarHBondContact O-CB 3.4Å; K352-D356 VanDerWaalsContact O-CG 3.23Å; K352-D356 PolarHBondContact O-N 3.46Å
353	F	95.6	Very high	96.6	Very high	53 Å²	53	50.8 Å²	50.8	23%	0.232	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-47.2	178.3	-173.2	-87.8	0	0	0	111.8	I306 F315 E349 V350 D356 L357	I306-F353 HydrophobicContact CB-CD2 4.4Å; I306-F353 HydrophobicContact CD1-CB 4.37Å; I306-F353 HydrophobicContact CG1-CB 4.07Å; I306-F353 HydrophobicContact CG1-CD1 4.02Å; I306-F353 HydrophobicContact CG1-CD2 4.14Å; I306-F353 HydrophobicContact CG1-CG 3.81Å; I306-F353 HydrophobicContact CG2-CD2 4.05Å; I306-F353 HydrophobicContact CG2-CG 4.45Å; F315-F353 HydrophobicContact CB-CE1 3.8Å; F315-F353 AromaticContact CD1-CD1 3.98Å; F315-F353 HydrophobicContact CD1-CD1 3.98Å; F315-F353 AromaticContact CD1-CE1 3.98Å; F315-F353 HydrophobicContact CD1-CE1 3.98Å; F315-F353 AromaticContact CD2-CD1 3.58Å; F315-F353 HydrophobicContact CD2-CD1 3.58Å; F315-F353 AromaticContact CD2-CE1 3.62Å; F315-F353 HydrophobicContact CD2-CE1 3.62Å; F315-F353 HydrophobicContact CE1-CD1 4.05Å; F315-F353 AromaticContact CE2-CD1 3.64Å; F315-F353 HydrophobicContact CE2-CD1 3.64Å; F315-F353 HydrophobicContact CE2-CE1 4.18Å; F315-F353 AromaticContact CG-CD1 3.76Å; F315-F353 HydrophobicContact CG-CD1 3.76Å; F315-F353 AromaticContact CG-CE1 3.51Å; F315-F353 HydrophobicContact CG-CE1 3.51Å; F315-F353 AromaticContact CZ-CD1 3.89Å; F315-F353 HydrophobicContact CZ-CD1 3.89Å; E349-F353 PolarHBondContact O-N 3.08Å; E349-F353 VanDerWaalsContact O-N 3.11Å; V350-F353 PolarHBondContact O-N 2.69Å; F353-D356 PolarHBondContact O-N 3.25Å; F353-L357 HydrophobicContact CE1-CD2 4.44Å; F353-L357 WeakPolarHBondContact O-CB 3.43Å; F353-L357 PolarHBondContact O-N 3.32Å
354	W	97.1	Very high	96.5	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-48.4	178	176.3	38.9	0	0	0	112.4	F315 L345 V350 F351 K352 D356 L357 E358 R408 F409 V412 M421	F315-W354 HydrophobicContact CE1-CB 3.63Å; F315-W354 AromaticContact CE1-CD1 3.95Å; F315-W354 HydrophobicContact CE1-CG 4.05Å; F315-W354 HydrophobicContact CZ-CB 3.79Å; L345-W354 HydrophobicContact CB-CD2 4.41Å; L345-W354 HydrophobicContact CB-CE3 3.79Å; L345-W354 HydrophobicContact CB-CZ3 4.04Å; L345-W354 HydrophobicContact CD1-CD2 4Å; L345-W354 HydrophobicContact CD1-CE3 4.06Å; L345-W354 HydrophobicContact CD1-CH2 4.3Å; L345-W354 HydrophobicContact CD1-CZ2 4.25Å; L345-W354 HydrophobicContact CD1-CZ3 4.2Å; L345-W354 HydrophobicContact CD2-CD2 4.45Å; L345-W354 HydrophobicContact CD2-CG 4.4Å; L345-W354 HydrophobicContact CG-CE3 4.38Å; V350-W354 WeakPolarHBondContact O-CB 3.28Å; V350-W354 PolarHBondContact O-N 2.93Å; F351-W354 AromaticContact CD2-CE3 3.86Å; F351-W354 HydrophobicContact CD2-CE3 3.86Å; F351-W354 HydrophobicContact CD2-CZ3 4.04Å; F351-W354 HydrophobicContact CE2-CE3 4.06Å; F351-W354 AromaticContact CE2-CZ3 3.95Å; F351-W354 HydrophobicContact CE2-CZ3 3.95Å; F351-W354 PolarHBondContact O-N 3.21Å; K352-W354 PolarHBondContact O-N 3.36Å; W354-D356 VanDerWaalsContact C-N 3.35Å; W354-D356 PolarHBondContact O-N 2.84Å; W354-L357 PolarHBondContact O-N 3.02Å; W354-E358 PolarHBondContact NE1-OE1 2.97Å; W354-E358 VanDerWaalsContact O-CG 3.32Å; W354-E358 WeakPolarHBondContact O-CG 3.11Å; W354-E358 PolarHBondContact O-N 3.29Å; W354-R408 HydrophobicContact CZ2-CB 4.06Å; W354-F409 HydrophobicContact CH2-CB 4.01Å; W354-V412 HydrophobicContact CH2-CG2 4.09Å; W354-V412 HydrophobicContact CZ3-CG2 4.13Å; W354-M421 HydrophobicContact CD2-CE 3.48Å; W354-M421 VanDerWaalsContact CD2-CE 3.48Å; W354-M421 HydrophobicContact CE3-CE 3.59Å; W354-M421 HydrophobicContact CG-CE 4.21Å; W354-M421 HydrophobicContact CH2-CE 3.45Å; W354-M421 VanDerWaalsContact CH2-CE 3.45Å; W354-M421 HydrophobicContact CH2-CG 3.99Å; W354-M421 HydrophobicContact CZ2-CE 3.32Å; W354-M421 HydrophobicContact CZ3-CE 3.59Å; W354-M421 HydrophobicContact CZ3-CG 4.06Å
355	S	97.2	Very high	96.5	Very high	23 Å²	23	52.8 Å²	52.8	16%	0.161	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-41.7	178.5	-178.5	0	0	0	0	112	F351 K352 Q359	F351-S355 VanDerWaalsContact O-CB 3.26Å; F351-S355 WeakPolarHBondContact O-CB 3.48Å; F351-S355 PolarHBondContact O-N 2.94Å; K352-S355 PolarHBondContact O-N 3.46Å; S355-Q359 WeakPolarHBondContact O-CB 3.23Å; S355-Q359 PolarHBondContact O-N 3.09Å
356	D	96	Very high	96.4	Very high	69 Å²	69	53 Å²	53	37%	0.369	26%	0.261	S	S	.	.	H	α-helix	trans	-66.5	-40.5	177.7	-71.8	-16.8	0	0	0	110.7	K352 F353 W354 Q359 N360	K352-D356 WeakPolarHBondContact O-CB 3.4Å; K352-D356 VanDerWaalsContact O-CG 3.23Å; K352-D356 PolarHBondContact O-N 3.46Å; F353-D356 PolarHBondContact O-N 3.25Å; W354-D356 VanDerWaalsContact C-N 3.35Å; W354-D356 PolarHBondContact O-N 2.84Å; D356-Q359 PolarHBondContact O-N 3.05Å; D356-N360 WeakPolarHBondContact O-CB 3.48Å; D356-N360 PolarHBondContact O-N 2.95Å; D356-N360 PolarHBondContact O-ND2 3.44Å
357	L	95.4	Very high	96.2	Very high	24 Å²	24	59.3 Å²	59.3	13%	0.126	28%	0.283	C	S	.	.	H	α-helix	trans	-61.5	-54.6	176.3	179	65.3	0	0	0	111.4	A312 F315 F353 W354 Q359 N360 E361	A312-L357 HydrophobicContact CB-CD1 3.74Å; F315-L357 HydrophobicContact CB-CD2 4.36Å; F315-L357 HydrophobicContact CD1-CD2 3.67Å; F315-L357 HydrophobicContact CE1-CD2 4.47Å; F315-L357 HydrophobicContact CG-CD2 4.37Å; F353-L357 HydrophobicContact CE1-CD2 4.44Å; F353-L357 WeakPolarHBondContact O-CB 3.43Å; F353-L357 PolarHBondContact O-N 3.32Å; W354-L357 PolarHBondContact O-N 3.02Å; L357-Q359 VanDerWaalsContact C-N 3.28Å; L357-Q359 PolarHBondContact O-N 3.03Å; L357-N360 PolarHBondContact O-N 3.11Å; L357-N360 VanDerWaalsContact O-N 3.17Å; L357-E361 HydrophobicContact CD1-CG 3.83Å; L357-E361 HydrophobicContact CG-CG 4.42Å; L357-E361 WeakPolarHBondContact O-CB 3.48Å; L357-E361 WeakPolarHBondContact O-CG 3.07Å; L357-E361 PolarHBondContact O-N 3.2Å
358	E	96.8	Very high	96	Very high	16 Å²	16	61.1 Å²	61.1	8%	0.075	29%	0.291	C	S	.	.	H	α-helix	trans	-56.7	-44.8	178.4	-69.3	-80.5	-169.8	0	0	111	W354 N360 L362 L405 R408 M421 L424	W354-E358 PolarHBondContact NE1-OE1 2.97Å; W354-E358 VanDerWaalsContact O-CG 3.32Å; W354-E358 WeakPolarHBondContact O-CG 3.11Å; W354-E358 PolarHBondContact O-N 3.29Å; E358-N360 PolarHBondContact O-N 3.32Å; E358-L362 HydrophobicContact CB-CD1 4.42Å; E358-L362 WeakPolarHBondContact O-CB 3.22Å; E358-L362 WeakPolarHBondContact O-CD1 3.44Å; E358-L362 VanDerWaalsContact O-CG 3.22Å; E358-L362 WeakPolarHBondContact O-CG 3.36Å; E358-L362 PolarHBondContact O-N 3.26Å; E358-L405 HydrophobicContact CB-CD1 4.37Å; E358-L405 HydrophobicContact CG-CD1 4.2Å; E358-R408 IonicContact OE1-CZ 2.75Å; E358-R408 VanDerWaalsContact OE1-CZ 3.3Å; E358-R408 IonicContact OE1-NE 2.78Å; E358-R408 PolarHBondContact OE1-NE 3.22Å; E358-R408 IonicContact OE1-NH2 3.82Å; E358-R408 PolarHBondContact OE1-NH2 3.16Å; E358-R408 IonicContact OE2-CZ 3.44Å; E358-R408 IonicContact OE2-NE 2.59Å; E358-R408 IonicContact OE2-NH2 2.81Å; E358-R408 PolarHBondContact OE2-NH2 3.49Å; E358-M421 HydrophobicContact CB-CE 4.41Å; E358-M421 HydrophobicContact CG-CE 4Å; E358-L424 HydrophobicContact CB-CD2 4.1Å
359	Q	97.2	Very high	96	Very high	49 Å²	49	55.5 Å²	55.5	23%	0.229	26%	0.261	C	S	.	.	H	α-helix	trans	-60.8	-45	178.5	-177.4	172.5	55.7	0	0	112.2	S355 D356 L357 R363 L424	S355-Q359 WeakPolarHBondContact O-CB 3.23Å; S355-Q359 PolarHBondContact O-N 3.09Å; D356-Q359 PolarHBondContact O-N 3.05Å; L357-Q359 VanDerWaalsContact C-N 3.28Å; L357-Q359 PolarHBondContact O-N 3.03Å; Q359-R363 VanDerWaalsContact O-CB 3.28Å; Q359-R363 WeakPolarHBondContact O-CB 3.45Å; Q359-R363 WeakPolarHBondContact O-CD 3.44Å; Q359-R363 WeakPolarHBondContact O-CG 3.48Å; Q359-R363 PolarHBondContact O-N 2.77Å; Q359-L424 HydrophobicContact CB-CD1 3.67Å; Q359-L424 HydrophobicContact CB-CD2 4.24Å; Q359-L424 HydrophobicContact CG-CD1 3.72Å
360	N	95.5	Very high	95.8	Very high	95 Å²	95	50.1 Å²	50.1	51%	0.508	24%	0.236	S	C	.	.	H	α-helix	trans	-71.7	-47.7	-177.1	-71.4	-33.1	0	0	0	111.8	D356 L357 E358 R363 A364	D356-N360 WeakPolarHBondContact O-CB 3.48Å; D356-N360 PolarHBondContact O-N 2.95Å; D356-N360 PolarHBondContact O-ND2 3.44Å; L357-N360 PolarHBondContact O-N 3.11Å; L357-N360 VanDerWaalsContact O-N 3.17Å; E358-N360 PolarHBondContact O-N 3.32Å; N360-R363 PolarHBondContact O-N 3.29Å; N360-A364 WeakPolarHBondContact O-CB 3.46Å; N360-A364 PolarHBondContact O-N 2.65Å
361	E	95.2	Very high	95.4	Very high	113 Å²	113	55.4 Å²	55.4	53%	0.528	27%	0.268	S	S	.	.	H	α-helix	trans	-67	-45	-178.6	-70.7	-54.3	131.5	0	0	111.7	L357 R363 A364 F365	L357-E361 HydrophobicContact CD1-CG 3.83Å; L357-E361 HydrophobicContact CG-CG 4.42Å; L357-E361 WeakPolarHBondContact O-CB 3.48Å; L357-E361 WeakPolarHBondContact O-CG 3.07Å; L357-E361 PolarHBondContact O-N 3.2Å; E361-R363 VanDerWaalsContact C-N 3.32Å; E361-R363 PolarHBondContact O-N 3.48Å; E361-A364 PolarHBondContact O-N 3.32Å; E361-F365 VanDerWaalsContact O-CB 3.25Å; E361-F365 WeakPolarHBondContact O-CB 3.03Å; E361-F365 PolarHBondContact O-N 3.29Å
362	L	97.1	Very high	95	Very high	13 Å²	13	60 Å²	60	7%	0.068	29%	0.285	C	S	.	.	H	α-helix	trans	-67	-33.9	179.1	-68.1	169.8	0	0	0	112.1	E358 S366 A401 M402 L405 L428	E358-L362 HydrophobicContact CB-CD1 4.42Å; E358-L362 WeakPolarHBondContact O-CB 3.22Å; E358-L362 WeakPolarHBondContact O-CD1 3.44Å; E358-L362 VanDerWaalsContact O-CG 3.22Å; E358-L362 WeakPolarHBondContact O-CG 3.36Å; E358-L362 PolarHBondContact O-N 3.26Å; L362-S366 VanDerWaalsContact O-CB 3.24Å; L362-S366 WeakPolarHBondContact O-CB 3.14Å; L362-S366 PolarHBondContact O-N 3.44Å; L362-A401 HydrophobicContact CD2-CB 3.87Å; L362-M402 HydrophobicContact CB-CE 4.44Å; L362-M402 HydrophobicContact CD1-CE 4.03Å; L362-M402 HydrophobicContact CD2-CE 3.97Å; L362-M402 HydrophobicContact CG-CE 4.39Å; L362-L405 HydrophobicContact CD1-CB 4.34Å; L362-L405 HydrophobicContact CD1-CD1 4.38Å; L362-L405 HydrophobicContact CD1-CD2 3.84Å; L362-L405 HydrophobicContact CD1-CG 4.41Å; L362-L428 HydrophobicContact CB-CD1 3.93Å; L362-L428 HydrophobicContact CB-CD2 3.98Å; L362-L428 HydrophobicContact CD1-CD1 3.56Å; L362-L428 HydrophobicContact CG-CD1 4.39Å
363	R	96.7	Very high	94.4	Very high	52 Å²	52	59.9 Å²	59.9	20%	0.196	30%	0.299	C	S	.	.	H	α-helix	trans	-69.1	-40.4	172	-77.5	177.1	170	151.3	4.3	112.3	Q359 N360 E361 R367 S427 L428 D431	Q359-R363 VanDerWaalsContact O-CB 3.28Å; Q359-R363 WeakPolarHBondContact O-CB 3.45Å; Q359-R363 WeakPolarHBondContact O-CD 3.44Å; Q359-R363 WeakPolarHBondContact O-CG 3.48Å; Q359-R363 PolarHBondContact O-N 2.77Å; N360-R363 PolarHBondContact O-N 3.29Å; E361-R363 VanDerWaalsContact C-N 3.32Å; E361-R363 PolarHBondContact O-N 3.48Å; R363-R367 WeakPolarHBondContact O-CG 3.16Å; R363-R367 PolarHBondContact O-N 2.96Å; R363-R367 VanDerWaalsContact O-N 3.14Å; R363-S427 PolarHBondContact NH2-OG 2.78Å; R363-L428 HydrophobicContact CG-CD2 3.7Å; R363-D431 IonicContact CZ-OD2 3.56Å; R363-D431 VanDerWaalsContact CZ-OD2 3.25Å; R363-D431 IonicContact NE-OD2 2.77Å; R363-D431 PolarHBondContact NE-OD2 3.08Å; R363-D431 IonicContact NH2-OD2 3.44Å; R363-D431 PolarHBondContact NH2-OD2 3.37Å
364	A	95.7	Very high	94	Very high	29 Å²	29	59.7 Å²	59.7	24%	0.24	30%	0.3	C	S	.	.	H	α-helix	trans	-63.8	-48.3	175.9	0	0	0	0	0	110.6	N360 E361 S366 R367 Q368	N360-A364 WeakPolarHBondContact O-CB 3.46Å; N360-A364 PolarHBondContact O-N 2.65Å; E361-A364 PolarHBondContact O-N 3.32Å; A364-S366 PolarHBondContact O-N 2.87Å; A364-R367 PolarHBondContact O-N 3.16Å; A364-Q368 WeakPolarHBondContact O-CG 3.18Å; A364-Q368 PolarHBondContact O-N 3.05Å
365	F	96.7	Very high	93.6	Very high	72 Å²	72	59.6 Å²	59.6	32%	0.316	30%	0.3	S	S	.	.	H	α-helix	trans	-55.8	-50.1	174.6	176.2	-109.6	0	0	0	111.8	E361 R367 Q368 L369 R397 A401	E361-F365 VanDerWaalsContact O-CB 3.25Å; E361-F365 WeakPolarHBondContact O-CB 3.03Å; E361-F365 PolarHBondContact O-N 3.29Å; F365-R367 VanDerWaalsContact C-N 3.32Å; F365-R367 PolarHBondContact O-N 3.45Å; F365-Q368 WeakPolarHBondContact O-CB 3.38Å; F365-Q368 PolarHBondContact O-N 3.05Å; F365-L369 HydrophobicContact CD1-CD1 4.12Å; F365-L369 HydrophobicContact CD1-CG 4.45Å; F365-L369 HydrophobicContact CE1-CD1 3.68Å; F365-L369 HydrophobicContact CE1-CD2 4.25Å; F365-L369 HydrophobicContact CE1-CG 4.11Å; F365-L369 HydrophobicContact CE2-CD2 4.03Å; F365-L369 HydrophobicContact CE2-CG 4.39Å; F365-L369 HydrophobicContact CZ-CD1 4.06Å; F365-L369 HydrophobicContact CZ-CD2 3.75Å; F365-L369 HydrophobicContact CZ-CG 4.09Å; F365-L369 WeakPolarHBondContact O-CG 3.34Å; F365-L369 PolarHBondContact O-N 2.98Å; F365-R397 HydrophobicContact CZ-CB 4.18Å; F365-A401 HydrophobicContact CD1-CB 4.12Å; F365-A401 HydrophobicContact CE1-CB 3.73Å
366	S	95.2	Very high	93.3	Very high	4 Å²	4	60.1 Å²	60.1	3%	0.028	30%	0.298	C	S	.	.	H	α-helix	trans	-50.9	-50.8	175.6	-179.6	0	0	0	0	111.5	L362 A364 Q368 L369 F370 F432 Q435	L362-S366 VanDerWaalsContact O-CB 3.24Å; L362-S366 WeakPolarHBondContact O-CB 3.14Å; L362-S366 PolarHBondContact O-N 3.44Å; A364-S366 PolarHBondContact O-N 2.87Å; S366-Q368 VanDerWaalsContact C-N 3.33Å; S366-Q368 PolarHBondContact O-N 2.62Å; S366-L369 WeakPolarHBondContact O-CB 3.45Å; S366-L369 PolarHBondContact O-N 3.48Å; S366-F370 WeakPolarHBondContact O-CD2 3.43Å; S366-F432 VanDerWaalsContact OG-CD2 3.27Å; S366-F432 WeakPolarHBondContact OG-CD2 3.38Å; S366-Q435 PolarHBondContact OG-OE1 2.81Å
367	R	93.4	Very high	92.7	Very high	142 Å²	142	60 Å²	60	54%	0.536	30%	0.302	S	S	.	.	H	α-helix	trans	-62.5	-39.4	178.8	-67.5	177.9	-161.9	114.5	-1.2	112.3	R363 A364 F365 L369 F370	R363-R367 WeakPolarHBondContact O-CG 3.16Å; R363-R367 PolarHBondContact O-N 2.96Å; R363-R367 VanDerWaalsContact O-N 3.14Å; A364-R367 PolarHBondContact O-N 3.16Å; F365-R367 VanDerWaalsContact C-N 3.32Å; F365-R367 PolarHBondContact O-N 3.45Å; R367-L369 VanDerWaalsContact C-N 3.31Å; R367-L369 PolarHBondContact O-N 3.43Å; R367-F370 PolarHBondContact O-N 3.23Å
368	Q	94.7	Very high	91.8	Very high	120 Å²	120	61.7 Å²	61.7	56%	0.561	31%	0.314	S	S	*	.	H	α-helix	trans	-64.3	-35.2	178.4	-70.9	175.8	18.7	0	0	112	A364 F365 S366 F370 T371	A364-Q368 WeakPolarHBondContact O-CG 3.18Å; A364-Q368 PolarHBondContact O-N 3.05Å; F365-Q368 WeakPolarHBondContact O-CB 3.38Å; F365-Q368 PolarHBondContact O-N 3.05Å; S366-Q368 VanDerWaalsContact C-N 3.33Å; S366-Q368 PolarHBondContact O-N 2.62Å; Q368-F370 PolarHBondContact O-N 2.82Å; Q368-T371 PolarHBondContact O-N 3.42Å; Q368-T371 PolarHBondContact O-OG1 3.42Å
369	L	94.6	Very high	90.5	Very high	3 Å²	3	64 Å²	64	2%	0.016	33%	0.325	C	S	.	.	H	α-helix	trans	-55.4	-38.7	178.4	-69.6	174.1	0	0	0	112.5	F365 S366 R367 T371 R372 A375 Y393 C394 R397 F398 F432	F365-L369 HydrophobicContact CD1-CD1 4.12Å; F365-L369 HydrophobicContact CD1-CG 4.45Å; F365-L369 HydrophobicContact CE1-CD1 3.68Å; F365-L369 HydrophobicContact CE1-CD2 4.25Å; F365-L369 HydrophobicContact CE1-CG 4.11Å; F365-L369 HydrophobicContact CE2-CD2 4.03Å; F365-L369 HydrophobicContact CE2-CG 4.39Å; F365-L369 HydrophobicContact CZ-CD1 4.06Å; F365-L369 HydrophobicContact CZ-CD2 3.75Å; F365-L369 HydrophobicContact CZ-CG 4.09Å; F365-L369 WeakPolarHBondContact O-CG 3.34Å; F365-L369 PolarHBondContact O-N 2.98Å; S366-L369 WeakPolarHBondContact O-CB 3.45Å; S366-L369 PolarHBondContact O-N 3.48Å; R367-L369 VanDerWaalsContact C-N 3.31Å; R367-L369 PolarHBondContact O-N 3.43Å; L369-T371 VanDerWaalsContact C-N 3.3Å; L369-T371 PolarHBondContact O-N 3.24Å; L369-R372 PolarHBondContact O-N 3.17Å; L369-A375 VanDerWaalsContact O-CB 3.24Å; L369-A375 WeakPolarHBondContact O-CB 3.22Å; L369-Y393 HydrophobicContact CD2-CE1 4.19Å; L369-C394 HydrophobicContact CB-CB 4.11Å; L369-R397 HydrophobicContact CD1-CB 4.31Å; L369-R397 HydrophobicContact CD2-CB 3.72Å; L369-R397 HydrophobicContact CD2-CG 4.37Å; L369-F398 HydrophobicContact CD1-CB 4.01Å; L369-F432 HydrophobicContact CD1-CE2 4.42Å
370	F	90.7	Very high	88.8	Confident	24 Å²	24	65.5 Å²	65.5	11%	0.105	33%	0.331	C	S	.	.	H	α-helix	trans	-72.1	-20.9	178.8	-69.1	-92.9	0	0	0	114.1	S366 R367 Q368 R372 W376 F432 Q435 L436 F439	S366-F370 WeakPolarHBondContact O-CD2 3.43Å; R367-F370 PolarHBondContact O-N 3.23Å; Q368-F370 PolarHBondContact O-N 2.82Å; F370-R372 VanDerWaalsContact C-N 3.35Å; F370-W376 HydrophobicContact CD1-CH2 4.12Å; F370-W376 AromaticContact CD1-CZ2 3.7Å; F370-W376 HydrophobicContact CD1-CZ2 3.7Å; F370-W376 AromaticContact CE1-CH2 3.76Å; F370-W376 HydrophobicContact CE1-CH2 3.76Å; F370-W376 AromaticContact CE1-CZ2 3.84Å; F370-W376 HydrophobicContact CE1-CZ2 3.84Å; F370-F432 HydrophobicContact CE2-CD2 4.12Å; F370-F432 AromaticContact CE2-CE2 3.67Å; F370-F432 HydrophobicContact CE2-CE2 3.67Å; F370-F432 HydrophobicContact CE2-CZ 4.11Å; F370-F432 HydrophobicContact CZ-CD2 4.4Å; F370-F432 HydrophobicContact CZ-CE1 4.37Å; F370-F432 AromaticContact CZ-CE2 3.92Å; F370-F432 HydrophobicContact CZ-CE2 3.92Å; F370-F432 AromaticContact CZ-CZ 3.9Å; F370-F432 HydrophobicContact CZ-CZ 3.9Å; F370-Q435 HydrophobicContact CD2-CB 4.49Å; F370-Q435 HydrophobicContact CE1-CB 4.45Å; F370-Q435 HydrophobicContact CE2-CB 3.77Å; F370-Q435 VanDerWaalsContact CE2-OE1 3.27Å; F370-Q435 HydrophobicContact CZ-CB 3.75Å; F370-L436 HydrophobicContact CE1-CD2 3.83Å; F370-L436 HydrophobicContact CZ-CD2 3.85Å; F370-L436 HydrophobicContact CZ-CG 4.29Å; F370-F439 HydrophobicContact CB-CD2 4.43Å; F370-F439 HydrophobicContact CD1-CB 4.19Å; F370-F439 AromaticContact CD1-CD2 3.94Å; F370-F439 HydrophobicContact CD1-CD2 3.94Å; F370-F439 HydrophobicContact CD1-CG 4.04Å; F370-F439 HydrophobicContact CE1-CB 4.29Å
371	T	88.8	Confident	86.9	Confident	113 Å²	113	65.2 Å²	65.2	69%	0.693	34%	0.336	S	S	*	.	H	α-helix	trans	-83.7	-14.3	-179.5	66.3	0	0	0	0	113.1	Q368 L369	Q368-T371 PolarHBondContact O-N 3.42Å; Q368-T371 PolarHBondContact O-OG1 3.42Å; L369-T371 VanDerWaalsContact C-N 3.3Å; L369-T371 PolarHBondContact O-N 3.24Å
372	R	88.9	Confident	84.7	Confident	108 Å²	108	67.8 Å²	67.8	41%	0.408	35%	0.352	S	S	.	.	S	Bend	trans	-74.3	143.8	-177.2	-60.8	178.4	58	110.6	-1.5	111.2	L369 F370 D374 A375 Y393	L369-R372 PolarHBondContact O-N 3.17Å; F370-R372 VanDerWaalsContact C-N 3.35Å; R372-D374 WeakPolarHBondContact CB-OD1 3.5Å; R372-D374 IonicContact CZ-OD1 3.23Å; R372-D374 IonicContact CZ-OD2 2.71Å; R372-D374 IonicContact NE-OD1 3.17Å; R372-D374 PolarHBondContact NE-OD1 3.43Å; R372-D374 IonicContact NE-OD2 3.11Å; R372-D374 IonicContact NH2-OD1 3.94Å; R372-D374 IonicContact NH2-OD2 3.32Å; R372-D374 PolarHBondContact NH2-OD2 3.36Å; R372-D374 PolarHBondContact O-N 3.04Å; R372-A375 VanDerWaalsContact O-CB 3.31Å; R372-A375 WeakPolarHBondContact O-CB 3.41Å; R372-A375 PolarHBondContact O-N 3.17Å; R372-Y393 PolarHBondContact NH2-OH 3.47Å
373	P	84.7	Confident	82.5	Confident	135 Å²	135	70.4 Å²	70.4	88%	0.877	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.8	-179.9	27.7	-35.2	0	0	0	112.9
374	D	86.4	Confident	80.3	Confident	48 Å²	48	71.7 Å²	71.7	26%	0.257	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	2.1	-178.9	57.8	-7.1	0	0	0	113.5	R372 W376 C377 Y393	R372-D374 WeakPolarHBondContact CB-OD1 3.5Å; R372-D374 IonicContact CZ-OD1 3.23Å; R372-D374 IonicContact CZ-OD2 2.71Å; R372-D374 IonicContact NE-OD1 3.17Å; R372-D374 PolarHBondContact NE-OD1 3.43Å; R372-D374 IonicContact NE-OD2 3.11Å; R372-D374 IonicContact NH2-OD1 3.94Å; R372-D374 IonicContact NH2-OD2 3.32Å; R372-D374 PolarHBondContact NH2-OD2 3.36Å; R372-D374 PolarHBondContact O-N 3.04Å; D374-W376 PolarHBondContact O-N 2.89Å; D374-C377 WeakPolarHBondContact O-CB 3.35Å; D374-C377 PolarHBondContact O-N 3.33Å; D374-Y393 WeakPolarHBondContact O-CB 3.38Å
375	A	89.5	Confident	78.3	Confident	0 Å²	0	77 Å²	77	0%	0	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-36.4	-170.7	0	0	0	0	0	114.3	L369 R372 Y393 C394	L369-A375 VanDerWaalsContact O-CB 3.24Å; L369-A375 WeakPolarHBondContact O-CB 3.22Å; R372-A375 VanDerWaalsContact O-CB 3.31Å; R372-A375 WeakPolarHBondContact O-CB 3.41Å; R372-A375 PolarHBondContact O-N 3.17Å; A375-Y393 PolarHBondContact O-N 3.24Å; A375-C394 HydrophobicContact CB-CB 4.34Å; A375-C394 PolarHBondContact O-N 3.01Å; A375-C394 PolarHBondContact O-SG 3.11Å; A375-C394 VanDerWaalsContact O-SG 3.33Å
376	W	90.3	Very high	76.5	Confident	34 Å²	34	82.8 Å²	82.8	13%	0.129	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	4.3	-175.6	-54.3	108	0	0	0	113.6	F370 D374 L436 F439 V450 E453 I454	F370-W376 HydrophobicContact CD1-CH2 4.12Å; F370-W376 AromaticContact CD1-CZ2 3.7Å; F370-W376 HydrophobicContact CD1-CZ2 3.7Å; F370-W376 AromaticContact CE1-CH2 3.76Å; F370-W376 HydrophobicContact CE1-CH2 3.76Å; F370-W376 AromaticContact CE1-CZ2 3.84Å; F370-W376 HydrophobicContact CE1-CZ2 3.84Å; D374-W376 PolarHBondContact O-N 2.89Å; W376-L436 HydrophobicContact CH2-CD2 3.74Å; W376-L436 HydrophobicContact CZ3-CD2 4.15Å; W376-F439 AromaticContact CE2-CD1 3.86Å; W376-F439 AromaticContact CE2-CE1 3.47Å; W376-F439 VanDerWaalsContact CE2-CE1 3.47Å; W376-F439 HydrophobicContact CH2-CD1 4.3Å; W376-F439 AromaticContact CZ2-CD1 3.36Å; W376-F439 HydrophobicContact CZ2-CD1 3.36Å; W376-F439 AromaticContact CZ2-CE1 3.49Å; W376-F439 HydrophobicContact CZ2-CE1 3.49Å; W376-F439 VanDerWaalsContact CZ2-CE1 3.49Å; W376-F439 AromaticContact CZ2-CG 3.96Å; W376-F439 HydrophobicContact CZ2-CG 3.96Å; W376-F439 HydrophobicContact CZ2-CZ 4.18Å; W376-F439 AromaticContact NE1-CD1 3.97Å; W376-F439 AromaticContact NE1-CE1 3.11Å; W376-F439 AromaticContact NE1-CZ 3.38Å; W376-V450 HydrophobicContact CG-CG1 4.28Å; W376-E453 HydrophobicContact CB-CB 4.14Å; W376-E453 HydrophobicContact CB-CG 4.16Å; W376-E453 HydrophobicContact CD2-CB 4.46Å; W376-E453 HydrophobicContact CE3-CB 3.83Å; W376-E453 WeakPolarHBondContact O-CG 3.45Å; W376-I454 HydrophobicContact CE3-CG1 4.13Å; W376-I454 HydrophobicContact CH2-CD1 4.2Å; W376-I454 HydrophobicContact CH2-CG1 3.46Å; W376-I454 VanDerWaalsContact CH2-CG1 3.46Å; W376-I454 HydrophobicContact CZ2-CD1 4.48Å; W376-I454 HydrophobicContact CZ2-CG1 4.13Å; W376-I454 HydrophobicContact CZ3-CB 4.33Å; W376-I454 HydrophobicContact CZ3-CG1 3.46Å; W376-I454 VanDerWaalsContact CZ3-CG1 3.46Å
377	C	84	Confident	75.4	Confident	67 Å²	67	83.9 Å²	83.9	45%	0.453	45%	0.454	S	S	.	.	S	Bend	trans	-74.3	140.7	174.6	-66	0	0	0	0	109.8	D374 H379 Y393	D374-C377 WeakPolarHBondContact O-CB 3.35Å; D374-C377 PolarHBondContact O-N 3.33Å; C377-H379 PolarHBondContact O-N 3.47Å; C377-Y393 PolarHBondContact O-N 3.49Å
378	P	75.7	Confident	74.7	Confident	59 Å²	59	83.9 Å²	83.9	38%	0.383	46%	0.46	S	S	.	.	B	Isolated β-bridge	trans	-61.3	129.9	171.7	-19.8	31	0	0	0	110.5	F380 S381 V391	P378-F380 VanDerWaalsContact C-N 3.34Å; P378-F380 PolarHBondContact O-N 3.3Å; P378-S381 PolarHBondContact O-OG 3.13Å; P378-V391 WeakPolarHBondContact CA-O 3.26Å
379	H	69	Low	74.1	Confident	64 Å²	64	81 Å²	81	30%	0.296	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-41.2	-172.9	-174	41.4	0	0	0	112.6	C377 S381 V391 D396 R397	C377-H379 PolarHBondContact O-N 3.47Å; H379-S381 VanDerWaalsContact C-N 3.32Å; H379-S381 PolarHBondContact O-N 3.42Å; H379-V391 PolarHBondContact N-O 3.08Å; H379-V391 VanDerWaalsContact N-O 3.1Å; H379-D396 IonicContact CD2-OD2 2.76Å; H379-R397 PolarHBondContact CE1-NH2 2.85Å; H379-R397 PolarHBondContact NE2-NH2 3.19Å
380	F	62.5	Low	73.8	Confident	81 Å²	81	83.2 Å²	83.2	36%	0.355	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	19.9	-172.1	-57.7	-80.4	0	0	0	115	P378 I382 S383 D387	P378-F380 VanDerWaalsContact C-N 3.34Å; P378-F380 PolarHBondContact O-N 3.3Å; F380-I382 PolarHBondContact O-N 3.48Å; F380-S383 PolarHBondContact O-N 3.38Å; F380-D387 HydrophobicContact CB-CB 4.17Å; F380-D387 HydrophobicContact CD2-CB 4.07Å
381	S	54.7	Low	73.6	Confident	88 Å²	88	82.3 Å²	82.3	62%	0.615	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-15.2	-179.7	-54.4	0	0	0	0	114.5	P378 H379	P378-S381 PolarHBondContact O-OG 3.13Å; H379-S381 VanDerWaalsContact C-N 3.32Å; H379-S381 PolarHBondContact O-N 3.42Å
382	I	50.2	Low	73.7	Confident	167 Å²	167	77 Å²	77	86%	0.856	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-27.7	-170	-52.5	175	0	0	0	112.8	F380	F380-I382 PolarHBondContact O-N 3.48Å
383	S	50.4	Low	73.8	Confident	69 Å²	69	73.7 Å²	73.7	48%	0.483	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-5	-167.4	46.6	0	0	0	0	115.4	F380 E385	F380-S383 PolarHBondContact O-N 3.38Å; S383-E385 PolarHBondContact O-N 3.38Å; S383-E385 VanDerWaalsContact O-N 3.15Å
384	G	50.1	Low	74.3	Confident	79 Å²	79	67.3 Å²	67.3	81%	0.814	37%	0.366	S	S	*	.	S	Bend	trans	69.5	2.3	-176.6	0	0	0	0	0	114.1
385	E	53.1	Low	74.6	Confident	141 Å²	141	65 Å²	65	66%	0.659	35%	0.354	S	S	*	.			trans	-79.8	122.5	166.2	-67	178.5	169.7	0	0	107.5	S383 D387	S383-E385 PolarHBondContact O-N 3.38Å; S383-E385 VanDerWaalsContact O-N 3.15Å; E385-D387 PolarHBondContact O-N 2.88Å; E385-D387 VanDerWaalsContact O-N 3.08Å
386	E	59.5	Low	74.8	Confident	192 Å²	192	66.4 Å²	66.4	90%	0.897	36%	0.362	S	S	*	.			trans	-64.5	111.6	173.3	-77	-174.7	161	0	0	108.7	E388	E386-E388 VanDerWaalsContact C-N 3.35Å; E386-E388 PolarHBondContact O-N 3.14Å
387	D	72.7	Confident	75	Confident	27 Å²	27	68.6 Å²	68.6	14%	0.144	37%	0.37	C	S	.	.			trans	-66.8	94	170.6	-175.7	-6.8	0	0	0	109.3	F380 E385 H389 K390 V391	F380-D387 HydrophobicContact CB-CB 4.17Å; F380-D387 HydrophobicContact CD2-CB 4.07Å; E385-D387 PolarHBondContact O-N 2.88Å; E385-D387 VanDerWaalsContact O-N 3.08Å; D387-H389 PolarHBondContact O-N 3.27Å; D387-H389 VanDerWaalsContact O-N 3.13Å; D387-H389 PolarHBondContact OD1-N 3.48Å; D387-K390 VanDerWaalsContact CG-CA 3.43Å; D387-K390 WeakPolarHBondContact O-CG 3.48Å; D387-K390 PolarHBondContact O-N 2.85Å; D387-K390 PolarHBondContact OD1-N 3.12Å; D387-K390 VanDerWaalsContact OD2-CA 3.26Å; D387-K390 WeakPolarHBondContact OD2-CA 3.48Å; D387-V391 PolarHBondContact OD2-N 3.21Å
388	E	78.4	Confident	75.6	Confident	143 Å²	143	65.4 Å²	65.4	67%	0.668	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-36.4	-179.9	-175.4	179.1	169.8	0	0	112.1	E386 S552	E386-E388 VanDerWaalsContact C-N 3.35Å; E386-E388 PolarHBondContact O-N 3.14Å; E388-S552 WeakPolarHBondContact O-CB 3.37Å
389	H	82.9	Confident	76.6	Confident	59 Å²	59	63.3 Å²	63.3	27%	0.273	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-10.8	-176.4	-62.7	-56.6	0	0	0	113.8	D387 V391	D387-H389 PolarHBondContact O-N 3.27Å; D387-H389 VanDerWaalsContact O-N 3.13Å; D387-H389 PolarHBondContact OD1-N 3.48Å; H389-V391 VanDerWaalsContact C-N 3.3Å; H389-V391 HydrophobicContact CB-CG2 3.61Å; H389-V391 PolarHBondContact O-N 2.95Å
390	K	87.2	Confident	77.9	Confident	49 Å²	49	63.9 Å²	63.9	21%	0.213	34%	0.342	C	S	.	.			trans	47.7	53.4	-175	-61.1	-170.4	-171.4	172.4	0	111.3	D387 S392 N456 Q548 Q549 R550 L551	D387-K390 VanDerWaalsContact CG-CA 3.43Å; D387-K390 WeakPolarHBondContact O-CG 3.48Å; D387-K390 PolarHBondContact O-N 2.85Å; D387-K390 PolarHBondContact OD1-N 3.12Å; D387-K390 VanDerWaalsContact OD2-CA 3.26Å; D387-K390 WeakPolarHBondContact OD2-CA 3.48Å; K390-S392 PolarHBondContact O-N 2.96Å; K390-N456 WeakPolarHBondContact CB-ND2 3.32Å; K390-N456 WeakPolarHBondContact O-CB 3.34Å; K390-N456 PolarHBondContact O-ND2 3.4Å; K390-Q548 PolarHBondContact NZ-O 3.28Å; K390-Q549 PolarHBondContact NZ-O 3.03Å; K390-R550 WeakPolarHBondContact CD-O 3.26Å; K390-L551 WeakPolarHBondContact CD-O 3.47Å; K390-L551 WeakPolarHBondContact CE-O 3.07Å; K390-L551 PolarHBondContact NZ-O 3.29Å
391	V	87.7	Confident	79.6	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.03	33%	0.331	C	S	.	.			trans	-69.3	126.5	-173.5	-171.5	0	0	0	0	109.7	P378 H379 D387 H389 A395 D396 H460	P378-V391 WeakPolarHBondContact CA-O 3.26Å; H379-V391 PolarHBondContact N-O 3.08Å; H379-V391 VanDerWaalsContact N-O 3.1Å; D387-V391 PolarHBondContact OD2-N 3.21Å; H389-V391 VanDerWaalsContact C-N 3.3Å; H389-V391 HydrophobicContact CB-CG2 3.61Å; H389-V391 PolarHBondContact O-N 2.95Å; V391-A395 HydrophobicContact CG1-CB 4.15Å; V391-D396 HydrophobicContact CG1-CB 4.15Å; V391-H460 HydrophobicContact CG2-CB 4.31Å
392	S	90.6	Very high	81.6	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.014	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-70.2	146.5	174.1	64.8	0	0	0	0	110.9	K390 C394 A395 D396	K390-S392 PolarHBondContact O-N 2.96Å; S392-C394 PolarHBondContact O-N 3.17Å; S392-C394 PolarHBondContact OG-SG 3.43Å; S392-A395 PolarHBondContact O-N 3.32Å; S392-A395 VanDerWaalsContact O-N 3.08Å; S392-A395 WeakPolarHBondContact OG-CB 3.39Å; S392-A395 PolarHBondContact OG-N 2.91Å; S392-D396 PolarHBondContact O-N 3.47Å; S392-D396 VanDerWaalsContact O-N 3.11Å
393	Y	91.2	Very high	83.8	Confident	39 Å²	39	50.7 Å²	50.7	15%	0.153	28%	0.275	C	S	.	.	H	α-helix	trans	-50	-42.5	174.7	176.5	-90	0	0	0	112.8	L369 R372 D374 A375 C377 A395 D396 R397	L369-Y393 HydrophobicContact CD2-CE1 4.19Å; R372-Y393 PolarHBondContact NH2-OH 3.47Å; D374-Y393 WeakPolarHBondContact O-CB 3.38Å; A375-Y393 PolarHBondContact O-N 3.24Å; C377-Y393 PolarHBondContact O-N 3.49Å; Y393-A395 PolarHBondContact O-N 3.21Å; Y393-D396 PolarHBondContact O-N 3.34Å; Y393-R397 HydrophobicContact CD1-CG 4.1Å; Y393-R397 HydrophobicContact CD2-CG 4.18Å; Y393-R397 HydrophobicContact CE1-CG 3.64Å; Y393-R397 HydrophobicContact CE2-CG 3.77Å; Y393-R397 VanDerWaalsContact CE2-NE 3.34Å; Y393-R397 HydrophobicContact CG-CG 4.34Å; Y393-R397 VanDerWaalsContact CZ-CG 3.47Å; Y393-R397 WeakPolarHBondContact O-CG 3.44Å; Y393-R397 PolarHBondContact O-N 3.03Å
394	C	93.5	Very high	86	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-39.2	-179.4	64.1	0	0	0	0	112.8	L369 A375 S392 F398	L369-C394 HydrophobicContact CB-CB 4.11Å; A375-C394 HydrophobicContact CB-CB 4.34Å; A375-C394 PolarHBondContact O-N 3.01Å; A375-C394 PolarHBondContact O-SG 3.11Å; A375-C394 VanDerWaalsContact O-SG 3.33Å; S392-C394 PolarHBondContact O-N 3.17Å; S392-C394 PolarHBondContact OG-SG 3.43Å; C394-F398 VanDerWaalsContact O-CB 3.25Å; C394-F398 WeakPolarHBondContact O-CB 3.43Å; C394-F398 PolarHBondContact O-N 3.07Å; C394-F398 VanDerWaalsContact O-N 3.07Å
395	A	94.6	Very high	88.3	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-70.2	-43.9	179.4	0	0	0	0	0	111.4	V391 S392 Y393 F398 L399 A457	V391-A395 HydrophobicContact CG1-CB 4.15Å; S392-A395 PolarHBondContact O-N 3.32Å; S392-A395 VanDerWaalsContact O-N 3.08Å; S392-A395 WeakPolarHBondContact OG-CB 3.39Å; S392-A395 PolarHBondContact OG-N 2.91Å; Y393-A395 PolarHBondContact O-N 3.21Å; A395-F398 PolarHBondContact O-N 3.13Å; A395-L399 WeakPolarHBondContact O-CG 3.39Å; A395-L399 PolarHBondContact O-N 2.8Å; A395-A457 HydrophobicContact CB-CB 3.88Å
396	D	92.8	Very high	90.4	Very high	30 Å²	30	39 Å²	39	16%	0.16	20%	0.199	C	C	.	.	H	α-helix	trans	-57.6	-53.1	176.1	172.9	73	0	0	0	111.6	H379 V391 S392 Y393 F398 L399 V400	H379-D396 IonicContact CD2-OD2 2.76Å; V391-D396 HydrophobicContact CG1-CB 4.15Å; S392-D396 PolarHBondContact O-N 3.47Å; S392-D396 VanDerWaalsContact O-N 3.11Å; Y393-D396 PolarHBondContact O-N 3.34Å; D396-F398 VanDerWaalsContact C-N 3.29Å; D396-F398 PolarHBondContact O-N 3.31Å; D396-L399 WeakPolarHBondContact O-CB 3.49Å; D396-L399 PolarHBondContact O-N 2.9Å; D396-L399 VanDerWaalsContact O-N 3.09Å; D396-V400 WeakPolarHBondContact O-CG2 3.43Å; D396-V400 PolarHBondContact O-N 3.37Å
397	R	94.7	Very high	92.1	Very high	79 Å²	79	34.6 Å²	34.6	30%	0.298	18%	0.181	S	C	.	.	H	α-helix	trans	-64.9	-34.1	-179.3	-64.1	-56.4	169.9	-164.9	-17.8	113.3	F365 L369 H379 Y393 A401	F365-R397 HydrophobicContact CZ-CB 4.18Å; L369-R397 HydrophobicContact CD1-CB 4.31Å; L369-R397 HydrophobicContact CD2-CB 3.72Å; L369-R397 HydrophobicContact CD2-CG 4.37Å; H379-R397 PolarHBondContact CE1-NH2 2.85Å; H379-R397 PolarHBondContact NE2-NH2 3.19Å; Y393-R397 HydrophobicContact CD1-CG 4.1Å; Y393-R397 HydrophobicContact CD2-CG 4.18Å; Y393-R397 HydrophobicContact CE1-CG 3.64Å; Y393-R397 HydrophobicContact CE2-CG 3.77Å; Y393-R397 VanDerWaalsContact CE2-NE 3.34Å; Y393-R397 HydrophobicContact CG-CG 4.34Å; Y393-R397 VanDerWaalsContact CZ-CG 3.47Å; Y393-R397 WeakPolarHBondContact O-CG 3.44Å; Y393-R397 PolarHBondContact O-N 3.03Å; R397-A401 PolarHBondContact O-N 3.13Å; R397-A401 VanDerWaalsContact O-N 3.13Å
398	F	97.1	Very high	93.2	Very high	1 Å²	1	35 Å²	35	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-45.3	172.7	-179	-106.5	0	0	0	111.1	L369 C394 A395 D396 V400 A401 M402 L428 F429 F432 L461	L369-F398 HydrophobicContact CD1-CB 4.01Å; C394-F398 VanDerWaalsContact O-CB 3.25Å; C394-F398 WeakPolarHBondContact O-CB 3.43Å; C394-F398 PolarHBondContact O-N 3.07Å; C394-F398 VanDerWaalsContact O-N 3.07Å; A395-F398 PolarHBondContact O-N 3.13Å; D396-F398 VanDerWaalsContact C-N 3.29Å; D396-F398 PolarHBondContact O-N 3.31Å; F398-V400 PolarHBondContact O-N 3.19Å; F398-A401 WeakPolarHBondContact O-CB 3.36Å; F398-A401 PolarHBondContact O-N 2.98Å; F398-M402 HydrophobicContact CD1-CG 4.2Å; F398-M402 HydrophobicContact CD2-CE 4.29Å; F398-M402 HydrophobicContact CE1-CG 3.79Å; F398-M402 HydrophobicContact CE1-SD 4.37Å; F398-M402 HydrophobicContact CE2-CE 3.73Å; F398-M402 HydrophobicContact CE2-CG 4.31Å; F398-M402 HydrophobicContact CE2-SD 4.18Å; F398-M402 HydrophobicContact CZ-CE 4.02Å; F398-M402 HydrophobicContact CZ-CG 3.84Å; F398-M402 HydrophobicContact CZ-SD 3.83Å; F398-M402 WeakPolarHBondContact O-CG 3.43Å; F398-M402 PolarHBondContact O-N 2.94Å; F398-L428 HydrophobicContact CZ-CB 4.45Å; F398-F429 HydrophobicContact CD1-CE1 4.3Å; F398-F429 AromaticContact CE1-CD1 3.58Å; F398-F429 HydrophobicContact CE1-CD1 3.58Å; F398-F429 AromaticContact CE1-CE1 3.67Å; F398-F429 HydrophobicContact CE1-CE1 3.67Å; F398-F429 HydrophobicContact CE1-CG 4.13Å; F398-F429 HydrophobicContact CE1-CZ 4.28Å; F398-F429 HydrophobicContact CZ-CD1 4.36Å; F398-F429 HydrophobicContact CZ-CG 4.49Å; F398-F432 HydrophobicContact CB-CD2 4.16Å; F398-F432 HydrophobicContact CB-CE2 3.7Å; F398-F432 HydrophobicContact CB-CZ 3.98Å; F398-F432 HydrophobicContact CD1-CB 4.4Å; F398-F432 HydrophobicContact CD1-CD1 4.13Å; F398-F432 AromaticContact CD1-CD2 3.92Å; F398-F432 HydrophobicContact CD1-CD2 3.92Å; F398-F432 HydrophobicContact CD1-CE1 4.4Å; F398-F432 HydrophobicContact CD1-CE2 4.23Å; F398-F432 AromaticContact CD1-CG 3.89Å; F398-F432 HydrophobicContact CD1-CG 3.89Å; F398-F432 HydrophobicContact CD1-CZ 4.45Å; F398-F432 AromaticContact CD2-CD2 3.41Å; F398-F432 HydrophobicContact CD2-CD2 3.41Å; F398-F432 VanDerWaalsContact CD2-CD2 3.41Å; F398-F432 AromaticContact CD2-CE2 3.78Å; F398-F432 HydrophobicContact CD2-CE2 3.78Å; F398-F432 HydrophobicContact CD2-CG 4.1Å; F398-F432 HydrophobicContact CE1-CB 3.85Å; F398-F432 HydrophobicContact CE1-CD1 4.31Å; F398-F432 HydrophobicContact CE1-CD2 4.15Å; F398-F432 AromaticContact CE1-CG 3.85Å; F398-F432 HydrophobicContact CE1-CG 3.85Å; F398-F432 HydrophobicContact CE2-CB 4.01Å; F398-F432 AromaticContact CE2-CD2 3.68Å; F398-F432 HydrophobicContact CE2-CD2 3.68Å; F398-F432 HydrophobicContact CE2-CE2 4.49Å; F398-F432 HydrophobicContact CE2-CG 4.07Å; F398-F432 HydrophobicContact CG-CD1 4.47Å; F398-F432 AromaticContact CG-CD2 3.53Å; F398-F432 HydrophobicContact CG-CD2 3.53Å; F398-F432 AromaticContact CG-CE2 3.62Å; F398-F432 HydrophobicContact CG-CE2 3.62Å; F398-F432 HydrophobicContact CG-CG 4.01Å; F398-F432 HydrophobicContact CG-CZ 4.14Å; F398-F432 HydrophobicContact CZ-CB 3.64Å; F398-F432 HydrophobicContact CZ-CD2 4.05Å; F398-F432 AromaticContact CZ-CG 3.96Å; F398-F432 HydrophobicContact CZ-CG 3.96Å; F398-L461 HydrophobicContact CD1-CD2 4.24Å
399	L	96.7	Very high	94	Very high	14 Å²	14	28.3 Å²	28.3	7%	0.073	15%	0.149	C	C	.	.	H	α-helix	trans	-63.2	-40.9	176.9	-74	175.7	0	0	0	113	A395 D396 A401 M402 S403 F429 H460 L461 V464 W468	A395-L399 WeakPolarHBondContact O-CG 3.39Å; A395-L399 PolarHBondContact O-N 2.8Å; D396-L399 WeakPolarHBondContact O-CB 3.49Å; D396-L399 PolarHBondContact O-N 2.9Å; D396-L399 VanDerWaalsContact O-N 3.09Å; L399-A401 VanDerWaalsContact C-N 3.29Å; L399-A401 PolarHBondContact O-N 3.33Å; L399-M402 PolarHBondContact O-N 3.12Å; L399-M402 VanDerWaalsContact O-N 3.12Å; L399-S403 PolarHBondContact O-N 3.21Å; L399-S403 PolarHBondContact O-OG 2.97Å; L399-F429 HydrophobicContact CD2-CE1 3.91Å; L399-F429 HydrophobicContact CD2-CZ 3.98Å; L399-H460 WeakPolarHBondContact CD1-NE2 3.4Å; L399-L461 HydrophobicContact CD1-CD2 4.08Å; L399-L461 HydrophobicContact CD2-CD2 3.66Å; L399-L461 HydrophobicContact CG-CD2 3.72Å; L399-V464 HydrophobicContact CD1-CB 4.19Å; L399-V464 HydrophobicContact CD1-CG1 4.16Å; L399-V464 HydrophobicContact CD1-CG2 3.83Å; L399-V464 HydrophobicContact CD2-CB 4.34Å; L399-V464 HydrophobicContact CD2-CG1 3.83Å; L399-W468 HydrophobicContact CD2-CH2 4.24Å; L399-W468 HydrophobicContact CD2-CZ2 4.42Å
400	V	95.9	Very high	94.6	Very high	76 Å²	76	28.4 Å²	28.4	46%	0.461	15%	0.152	S	C	.	.	H	α-helix	trans	-57.4	-44.4	174.1	172.7	0	0	0	0	110.9	D396 F398 S403 A404	D396-V400 WeakPolarHBondContact O-CG2 3.43Å; D396-V400 PolarHBondContact O-N 3.37Å; F398-V400 PolarHBondContact O-N 3.19Å; V400-S403 PolarHBondContact O-N 3.48Å; V400-A404 PolarHBondContact O-N 3.09Å
401	A	97.2	Very high	94.9	Very high	15 Å²	15	27.6 Å²	27.6	12%	0.124	15%	0.154	C	C	.	.	H	α-helix	trans	-64.8	-39.4	176.5	0	0	0	0	0	112.1	L362 F365 R397 F398 L399 A404 L405	L362-A401 HydrophobicContact CD2-CB 3.87Å; F365-A401 HydrophobicContact CD1-CB 4.12Å; F365-A401 HydrophobicContact CE1-CB 3.73Å; R397-A401 PolarHBondContact O-N 3.13Å; R397-A401 VanDerWaalsContact O-N 3.13Å; F398-A401 WeakPolarHBondContact O-CB 3.36Å; F398-A401 PolarHBondContact O-N 2.98Å; L399-A401 VanDerWaalsContact C-N 3.29Å; L399-A401 PolarHBondContact O-N 3.33Å; A401-A404 PolarHBondContact O-N 3.43Å; A401-L405 PolarHBondContact O-N 2.93Å
402	M	98	Very high	95.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.1	-38.7	175.7	-67.3	-53.7	99.1	0	0	112.2	L362 F398 L399 A404 L405 T406 Q425 L428 F429 W468	L362-M402 HydrophobicContact CB-CE 4.44Å; L362-M402 HydrophobicContact CD1-CE 4.03Å; L362-M402 HydrophobicContact CD2-CE 3.97Å; L362-M402 HydrophobicContact CG-CE 4.39Å; F398-M402 HydrophobicContact CD1-CG 4.2Å; F398-M402 HydrophobicContact CD2-CE 4.29Å; F398-M402 HydrophobicContact CE1-CG 3.79Å; F398-M402 HydrophobicContact CE1-SD 4.37Å; F398-M402 HydrophobicContact CE2-CE 3.73Å; F398-M402 HydrophobicContact CE2-CG 4.31Å; F398-M402 HydrophobicContact CE2-SD 4.18Å; F398-M402 HydrophobicContact CZ-CE 4.02Å; F398-M402 HydrophobicContact CZ-CG 3.84Å; F398-M402 HydrophobicContact CZ-SD 3.83Å; F398-M402 WeakPolarHBondContact O-CG 3.43Å; F398-M402 PolarHBondContact O-N 2.94Å; L399-M402 PolarHBondContact O-N 3.12Å; L399-M402 VanDerWaalsContact O-N 3.12Å; M402-A404 VanDerWaalsContact C-N 3.35Å; M402-L405 WeakPolarHBondContact O-CB 3.41Å; M402-L405 PolarHBondContact O-N 3.28Å; M402-T406 PolarHBondContact O-N 3.46Å; M402-T406 PolarHBondContact O-OG1 2.94Å; M402-T406 VanDerWaalsContact O-OG1 3.09Å; M402-Q425 PolarHBondContact O-NE2 3.39Å; M402-Q425 HydrophobicContact SD-CG 4.03Å; M402-L428 HydrophobicContact CE-CB 4.41Å; M402-L428 HydrophobicContact CE-CD1 4.1Å; M402-L428 HydrophobicContact SD-CB 4.06Å; M402-L428 HydrophobicContact SD-CD1 4.25Å; M402-F429 HydrophobicContact CB-CE2 4.14Å; M402-F429 HydrophobicContact CB-CZ 4.02Å; M402-F429 HydrophobicContact CG-CD2 4.48Å; M402-F429 HydrophobicContact CG-CE1 4.38Å; M402-F429 HydrophobicContact CG-CE2 3.74Å; M402-F429 HydrophobicContact CG-CZ 3.68Å; M402-F429 HydrophobicContact SD-CD2 4.49Å; M402-F429 HydrophobicContact SD-CE2 4.19Å; M402-W468 HydrophobicContact CB-CH2 3.68Å; M402-W468 HydrophobicContact CB-CZ3 3.83Å
403	S	96.4	Very high	95.4	Very high	45 Å²	45	30.8 Å²	30.8	32%	0.315	17%	0.168	S	C	.	.	H	α-helix	trans	-65.1	-37.9	173.9	-62	0	0	0	0	112.3	L399 V400 T406 N407 W468	L399-S403 PolarHBondContact O-N 3.21Å; L399-S403 PolarHBondContact O-OG 2.97Å; V400-S403 PolarHBondContact O-N 3.48Å; S403-T406 WeakPolarHBondContact O-CB 3.26Å; S403-T406 PolarHBondContact O-N 3.43Å; S403-N407 PolarHBondContact O-N 3.32Å; S403-W468 VanDerWaalsContact OG-CZ2 3.23Å; S403-W468 WeakPolarHBondContact OG-CZ2 3.28Å
404	A	96.4	Very high	95.6	Very high	34 Å²	34	31.4 Å²	31.4	28%	0.281	17%	0.174	S	C	.	.	H	α-helix	trans	-62.4	-43.4	173.9	0	0	0	0	0	111.5	V400 A401 M402 T406 N407 R408	V400-A404 PolarHBondContact O-N 3.09Å; A401-A404 PolarHBondContact O-N 3.43Å; M402-A404 VanDerWaalsContact C-N 3.35Å; A404-T406 VanDerWaalsContact C-N 3.34Å; A404-T406 PolarHBondContact O-N 2.87Å; A404-N407 PolarHBondContact O-N 3.11Å; A404-R408 PolarHBondContact O-N 2.85Å; A404-R408 VanDerWaalsContact O-N 3.11Å
405	L	97.5	Very high	95.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.1	-44.4	173	179.5	62.8	0	0	0	111.4	E358 L362 A401 M402 N407 R408 F409 M421 Q425 L428	E358-L405 HydrophobicContact CB-CD1 4.37Å; E358-L405 HydrophobicContact CG-CD1 4.2Å; L362-L405 HydrophobicContact CD1-CB 4.34Å; L362-L405 HydrophobicContact CD1-CD1 4.38Å; L362-L405 HydrophobicContact CD1-CD2 3.84Å; L362-L405 HydrophobicContact CD1-CG 4.41Å; A401-L405 PolarHBondContact O-N 2.93Å; M402-L405 WeakPolarHBondContact O-CB 3.41Å; M402-L405 PolarHBondContact O-N 3.28Å; L405-N407 PolarHBondContact O-N 3.43Å; L405-R408 PolarHBondContact O-N 3.43Å; L405-F409 HydrophobicContact CG-CD1 4.15Å; L405-F409 HydrophobicContact CG-CE1 4.45Å; L405-F409 WeakPolarHBondContact O-CD1 3.15Å; L405-F409 PolarHBondContact O-N 3.19Å; L405-M421 HydrophobicContact CD1-CE 4.39Å; L405-Q425 HydrophobicContact CD2-CB 3.89Å; L405-Q425 HydrophobicContact CD2-CG 4.34Å; L405-L428 HydrophobicContact CD2-CD1 3.95Å
406	T	96.9	Very high	95.8	Very high	10 Å²	10	42.2 Å²	42.2	6%	0.061	22%	0.221	C	C	.	.	H	α-helix	trans	-58	-45.8	175.7	-58	0	0	0	0	112.6	M402 S403 A404 R408 F409 N410 Q425 I473 Y474	M402-T406 PolarHBondContact O-N 3.46Å; M402-T406 PolarHBondContact O-OG1 2.94Å; M402-T406 VanDerWaalsContact O-OG1 3.09Å; S403-T406 WeakPolarHBondContact O-CB 3.26Å; S403-T406 PolarHBondContact O-N 3.43Å; A404-T406 VanDerWaalsContact C-N 3.34Å; A404-T406 PolarHBondContact O-N 2.87Å; T406-R408 VanDerWaalsContact C-N 3.33Å; T406-R408 PolarHBondContact O-N 2.88Å; T406-F409 HydrophobicContact CG2-CE1 4.4Å; T406-F409 HydrophobicContact CG2-CE2 4.46Å; T406-F409 HydrophobicContact CG2-CZ 3.94Å; T406-N410 WeakPolarHBondContact O-CB 3.37Å; T406-N410 PolarHBondContact O-N 3.47Å; T406-Q425 PolarHBondContact OG1-NE2 3.5Å; T406-I473 HydrophobicContact CG2-CD1 4.15Å; T406-Y474 HydrophobicContact CG2-CE2 4.35Å; T406-Y474 PolarHBondContact OG1-OH 3.22Å
407	N	95.3	Very high	96	Very high	98 Å²	98	41.9 Å²	41.9	52%	0.524	22%	0.218	S	C	.	.	H	α-helix	trans	-60.8	-43.9	179	-70.8	-17.6	0	0	0	111.5	S403 A404 L405 A411	S403-N407 PolarHBondContact O-N 3.32Å; A404-N407 PolarHBondContact O-N 3.11Å; L405-N407 PolarHBondContact O-N 3.43Å; N407-A411 PolarHBondContact O-N 3.16Å
408	R	95.8	Very high	96.2	Very high	37 Å²	37	39.6 Å²	39.6	14%	0.14	21%	0.21	C	C	.	.	H	α-helix	trans	-64.3	-52.1	179.4	-72.4	-171.4	-69.9	-95.9	6.5	112.4	V319 D320 L323 M342 W354 E358 A404 L405 T406 N410 A411	V319-R408 HydrophobicContact CG1-CG 4.25Å; D320-R408 IonicContact OD1-NH1 2.68Å; L323-R408 HydrophobicContact CD2-CG 3.97Å; M342-R408 WeakPolarHBondContact CE-O 3.17Å; W354-R408 HydrophobicContact CZ2-CB 4.06Å; E358-R408 IonicContact OE1-CZ 2.75Å; E358-R408 VanDerWaalsContact OE1-CZ 3.3Å; E358-R408 IonicContact OE1-NE 2.78Å; E358-R408 PolarHBondContact OE1-NE 3.22Å; E358-R408 IonicContact OE1-NH2 3.82Å; E358-R408 PolarHBondContact OE1-NH2 3.16Å; E358-R408 IonicContact OE2-CZ 3.44Å; E358-R408 IonicContact OE2-NE 2.59Å; E358-R408 IonicContact OE2-NH2 2.81Å; E358-R408 PolarHBondContact OE2-NH2 3.49Å; A404-R408 PolarHBondContact O-N 2.85Å; A404-R408 VanDerWaalsContact O-N 3.11Å; L405-R408 PolarHBondContact O-N 3.43Å; T406-R408 VanDerWaalsContact C-N 3.33Å; T406-R408 PolarHBondContact O-N 2.88Å; R408-N410 VanDerWaalsContact C-N 3.33Å; R408-N410 PolarHBondContact O-N 3.31Å; R408-A411 PolarHBondContact O-N 3.22Å
409	F	96.5	Very high	96.2	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-71.1	-29.5	-178.5	75.4	-114.3	0	0	0	112.8	W354 L405 T406 A411 V412 R418 M421 A422 I473 Y474 L477	W354-F409 HydrophobicContact CH2-CB 4.01Å; L405-F409 HydrophobicContact CG-CD1 4.15Å; L405-F409 HydrophobicContact CG-CE1 4.45Å; L405-F409 WeakPolarHBondContact O-CD1 3.15Å; L405-F409 PolarHBondContact O-N 3.19Å; T406-F409 HydrophobicContact CG2-CE1 4.4Å; T406-F409 HydrophobicContact CG2-CE2 4.46Å; T406-F409 HydrophobicContact CG2-CZ 3.94Å; F409-A411 PolarHBondContact O-N 2.89Å; F409-V412 PolarHBondContact O-N 3.02Å; F409-V412 VanDerWaalsContact O-N 3.15Å; F409-R418 HydrophobicContact CD2-CB 4.41Å; F409-R418 HydrophobicContact CD2-CG 4.47Å; F409-R418 WeakPolarHBondContact O-CD 3.43Å; F409-R418 VanDerWaalsContact O-CG 3.24Å; F409-R418 WeakPolarHBondContact O-CG 3.42Å; F409-M421 HydrophobicContact CB-CB 3.55Å; F409-M421 HydrophobicContact CB-CG 3.95Å; F409-M421 HydrophobicContact CD1-CB 3.8Å; F409-M421 HydrophobicContact CG-CB 3.77Å; F409-A422 HydrophobicContact CZ-CB 4.48Å; F409-I473 HydrophobicContact CE2-CG2 4.09Å; F409-Y474 HydrophobicContact CZ-CE1 4.16Å; F409-L477 HydrophobicContact CE2-CD1 3.91Å
410	N	94.7	Very high	96.2	Very high	62 Å²	62	44.2 Å²	44.2	33%	0.332	23%	0.232	S	C	.	.	H	α-helix	trans	-65.4	-26.9	178	-174.7	52.8	0	0	0	112.7	T406 R408 V412 I473	T406-N410 WeakPolarHBondContact O-CB 3.37Å; T406-N410 PolarHBondContact O-N 3.47Å; R408-N410 VanDerWaalsContact C-N 3.33Å; R408-N410 PolarHBondContact O-N 3.31Å; N410-V412 VanDerWaalsContact C-N 3.28Å; N410-V412 PolarHBondContact O-N 3.45Å; N410-I473 HydrophobicContact CB-CD1 4.16Å; N410-I473 HydrophobicContact CB-CG2 4.49Å
411	A	94.4	Very high	96.3	Very high	31 Å²	31	40.6 Å²	40.6	26%	0.256	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-18.5	176.3	0	0	0	0	0	113.7	L323 M342 N407 R408 F409	L323-A411 HydrophobicContact CD1-CB 3.51Å; M342-A411 HydrophobicContact CB-CB 4.22Å; M342-A411 HydrophobicContact CE-CB 4.06Å; M342-A411 HydrophobicContact CG-CB 3.91Å; N407-A411 PolarHBondContact O-N 3.16Å; R408-A411 PolarHBondContact O-N 3.22Å; F409-A411 PolarHBondContact O-N 2.89Å
412	V	95.6	Very high	96.3	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.204	C	C	.	.			trans	-79.8	122.5	176.7	-177.9	0	0	0	0	109.6	M342 L345 A346 W354 F409 N410 N414 R417 R418	M342-V412 HydrophobicContact CE-CG2 4.44Å; L345-V412 HydrophobicContact CB-CG2 4.35Å; A346-V412 HydrophobicContact CB-CG1 4.1Å; W354-V412 HydrophobicContact CH2-CG2 4.09Å; W354-V412 HydrophobicContact CZ3-CG2 4.13Å; F409-V412 PolarHBondContact O-N 3.02Å; F409-V412 VanDerWaalsContact O-N 3.15Å; N410-V412 VanDerWaalsContact C-N 3.28Å; N410-V412 PolarHBondContact O-N 3.45Å; V412-N414 VanDerWaalsContact C-N 3.31Å; V412-N414 HydrophobicContact CG1-CB 3.97Å; V412-N414 PolarHBondContact O-N 3.46Å; V412-R417 HydrophobicContact CG1-CB 4.37Å; V412-R418 WeakPolarHBondContact O-CD 3.33Å; V412-R418 VanDerWaalsContact O-CG 3.26Å; V412-R418 WeakPolarHBondContact O-CG 3.49Å; V412-R418 PolarHBondContact O-NE 2.95Å
413	Q	92.6	Very high	96.3	Very high	73 Å²	73	44 Å²	44	34%	0.341	22%	0.223	S	C	.	.			trans	-73.7	-28.5	-175.6	-63.8	-174.7	8.8	0	0	111.9	S338 E343 F415	S338-Q413 PolarHBondContact O-NE2 3.13Å; E343-Q413 WeakPolarHBondContact OE2-CB 3.25Å; E343-Q413 PolarHBondContact OE2-N 3.42Å; Q413-F415 PolarHBondContact O-N 3.27Å
414	N	95.3	Very high	96.4	Very high	53 Å²	53	42.4 Å²	42.4	28%	0.283	21%	0.211	S	C	.	.			trans	-57.2	104.5	177.6	-162.7	-59.8	0	0	0	113.2	E343 A346 V412 K416 R417 R418	E343-N414 WeakPolarHBondContact OE1-CB 3.5Å; E343-N414 PolarHBondContact OE2-N 2.98Å; A346-N414 HydrophobicContact CB-CB 3.68Å; V412-N414 VanDerWaalsContact C-N 3.31Å; V412-N414 HydrophobicContact CG1-CB 3.97Å; V412-N414 PolarHBondContact O-N 3.46Å; N414-K416 VanDerWaalsContact C-N 3.33Å; N414-K416 PolarHBondContact O-N 3.02Å; N414-K416 WeakPolarHBondContact OD1-CB 3.45Å; N414-K416 PolarHBondContact OD1-N 2.91Å; N414-R417 HydrophobicContact CB-CB 4.12Å; N414-R417 HydrophobicContact CB-CG 3.89Å; N414-R417 PolarHBondContact O-N 2.95Å; N414-R417 VanDerWaalsContact O-N 3.17Å; N414-R417 PolarHBondContact OD1-N 3.2Å; N414-R418 PolarHBondContact O-N 3.41Å; N414-R418 VanDerWaalsContact O-N 3.08Å
415	F	95.8	Very high	96.5	Very high	97 Å²	97	40.8 Å²	40.8	43%	0.425	20%	0.197	S	C	.	.	H	α-helix	trans	-57.3	-41.5	-177.9	-175.9	-104.4	0	0	0	113.6	Q413 R417 R418 I419 Q476 L477	Q413-F415 PolarHBondContact O-N 3.27Å; F415-R417 VanDerWaalsContact C-N 3.33Å; F415-R417 PolarHBondContact O-N 2.96Å; F415-R418 PolarHBondContact O-N 3.49Å; F415-I419 HydrophobicContact CD1-CD1 3.86Å; F415-I419 HydrophobicContact CE1-CD1 3.22Å; F415-I419 HydrophobicContact CE1-CG1 4.17Å; F415-I419 HydrophobicContact CE2-CD1 4.37Å; F415-I419 HydrophobicContact CZ-CD1 3.52Å; F415-I419 HydrophobicContact CZ-CG1 4.2Å; F415-I419 PolarHBondContact O-N 2.95Å; F415-I419 VanDerWaalsContact O-N 3.08Å; F415-Q476 VanDerWaalsContact CE2-O 3.25Å; F415-Q476 WeakPolarHBondContact CE2-O 3.3Å; F415-Q476 WeakPolarHBondContact CZ-O 3.31Å; F415-L477 HydrophobicContact CD2-CD2 4.04Å; F415-L477 HydrophobicContact CE2-CD2 3.84Å
416	K	97	Very high	96.5	Very high	129 Å²	129	43.5 Å²	43.5	56%	0.561	21%	0.208	S	C	*	.	H	α-helix	trans	-61.8	-42.5	179.8	178.9	-176	173.9	-171.7	0	111	N414 I419 Q420	N414-K416 VanDerWaalsContact C-N 3.33Å; N414-K416 PolarHBondContact O-N 3.02Å; N414-K416 WeakPolarHBondContact OD1-CB 3.45Å; N414-K416 PolarHBondContact OD1-N 2.91Å; K416-I419 PolarHBondContact O-N 2.96Å; K416-Q420 WeakPolarHBondContact O-CG 3.33Å; K416-Q420 PolarHBondContact O-N 3.38Å; K416-Q420 VanDerWaalsContact O-N 3.13Å
417	R	97.4	Very high	96.6	Very high	23 Å²	23	44.7 Å²	44.7	9%	0.087	22%	0.216	C	C	.	.	H	α-helix	trans	-68.4	-39.2	178.7	-60.7	-50.3	-169.2	-173	-0.4	112.3	A346 D348 F351 V412 N414 F415 I419 Q420 M421	A346-R417 HydrophobicContact CB-CG 3.97Å; A346-R417 PolarHBondContact O-NE 2.88Å; A346-R417 PolarHBondContact O-NH2 2.98Å; D348-R417 IonicContact OD1-CZ 2.68Å; D348-R417 IonicContact OD1-NH1 3.7Å; D348-R417 IonicContact OD1-NH2 3.85Å; D348-R417 PolarHBondContact OD1-NH2 3.27Å; F351-R417 HydrophobicContact CD2-CB 4.02Å; F351-R417 HydrophobicContact CD2-CG 3.94Å; F351-R417 HydrophobicContact CE2-CB 3.69Å; F351-R417 HydrophobicContact CE2-CG 4.05Å; F351-R417 HydrophobicContact CG-CG 4.39Å; F351-R417 HydrophobicContact CZ-CB 4.28Å; V412-R417 HydrophobicContact CG1-CB 4.37Å; N414-R417 HydrophobicContact CB-CB 4.12Å; N414-R417 HydrophobicContact CB-CG 3.89Å; N414-R417 PolarHBondContact O-N 2.95Å; N414-R417 VanDerWaalsContact O-N 3.17Å; N414-R417 PolarHBondContact OD1-N 3.2Å; F415-R417 VanDerWaalsContact C-N 3.33Å; F415-R417 PolarHBondContact O-N 2.96Å; R417-I419 VanDerWaalsContact C-N 3.34Å; R417-I419 PolarHBondContact O-N 3.01Å; R417-Q420 VanDerWaalsContact CD-OE1 3.25Å; R417-Q420 WeakPolarHBondContact O-CB 3.43Å; R417-Q420 PolarHBondContact O-N 3.06Å; R417-Q420 VanDerWaalsContact O-N 3.16Å; R417-M421 PolarHBondContact O-N 3.2Å
418	R	97.3	Very high	96.7	Very high	32 Å²	32	40.1 Å²	40.1	12%	0.121	19%	0.192	C	C	.	.	H	α-helix	trans	-59.1	-44.3	174.5	-69.3	-161.7	-78.4	158.5	3.5	112.4	F409 V412 N414 F415 Q420 M421 A422 L477	F409-R418 HydrophobicContact CD2-CB 4.41Å; F409-R418 HydrophobicContact CD2-CG 4.47Å; F409-R418 WeakPolarHBondContact O-CD 3.43Å; F409-R418 VanDerWaalsContact O-CG 3.24Å; F409-R418 WeakPolarHBondContact O-CG 3.42Å; V412-R418 WeakPolarHBondContact O-CD 3.33Å; V412-R418 VanDerWaalsContact O-CG 3.26Å; V412-R418 WeakPolarHBondContact O-CG 3.49Å; V412-R418 PolarHBondContact O-NE 2.95Å; N414-R418 PolarHBondContact O-N 3.41Å; N414-R418 VanDerWaalsContact O-N 3.08Å; F415-R418 PolarHBondContact O-N 3.49Å; R418-Q420 PolarHBondContact O-N 3.09Å; R418-M421 PolarHBondContact O-N 3.02Å; R418-A422 WeakPolarHBondContact O-CB 3.42Å; R418-A422 PolarHBondContact O-N 3.39Å; R418-L477 HydrophobicContact CB-CD1 4.32Å; R418-L477 HydrophobicContact CB-CD2 3.46Å; R418-L477 VanDerWaalsContact CB-CD2 3.46Å
419	I	97.3	Very high	96.8	Very high	38 Å²	38	38.4 Å²	38.4	20%	0.195	19%	0.186	C	C	.	.	H	α-helix	trans	-60.9	-44.7	174.3	-71.3	179.4	0	0	0	111.1	F415 K416 R417 M421 A422 H423 L477	F415-I419 HydrophobicContact CD1-CD1 3.86Å; F415-I419 HydrophobicContact CE1-CD1 3.22Å; F415-I419 HydrophobicContact CE1-CG1 4.17Å; F415-I419 HydrophobicContact CE2-CD1 4.37Å; F415-I419 HydrophobicContact CZ-CD1 3.52Å; F415-I419 HydrophobicContact CZ-CG1 4.2Å; F415-I419 PolarHBondContact O-N 2.95Å; F415-I419 VanDerWaalsContact O-N 3.08Å; K416-I419 PolarHBondContact O-N 2.96Å; R417-I419 VanDerWaalsContact C-N 3.34Å; R417-I419 PolarHBondContact O-N 3.01Å; I419-M421 VanDerWaalsContact C-N 3.31Å; I419-M421 PolarHBondContact O-N 2.99Å; I419-A422 PolarHBondContact O-N 2.95Å; I419-H423 PolarHBondContact O-CD2 2.98Å; I419-H423 VanDerWaalsContact O-CD2 3.27Å; I419-H423 PolarHBondContact O-N 3.49Å; I419-L477 HydrophobicContact CG1-CB 4.2Å; I419-L477 HydrophobicContact CG1-CD2 3.82Å
420	Q	97.9	Very high	96.9	Very high	74 Å²	74	40.4 Å²	40.4	35%	0.346	20%	0.196	S	C	.	.	H	α-helix	trans	-59.3	-42.1	178.6	-71.8	179.5	-45.4	0	0	112	F351 K416 R417 R418 H423 L424	F351-Q420 HydrophobicContact CE1-CB 4.16Å; F351-Q420 HydrophobicContact CZ-CB 3.74Å; K416-Q420 WeakPolarHBondContact O-CG 3.33Å; K416-Q420 PolarHBondContact O-N 3.38Å; K416-Q420 VanDerWaalsContact O-N 3.13Å; R417-Q420 VanDerWaalsContact CD-OE1 3.25Å; R417-Q420 WeakPolarHBondContact O-CB 3.43Å; R417-Q420 PolarHBondContact O-N 3.06Å; R417-Q420 VanDerWaalsContact O-N 3.16Å; R418-Q420 PolarHBondContact O-N 3.09Å; Q420-H423 PolarHBondContact O-N 2.74Å; Q420-L424 PolarHBondContact O-N 3.4Å
421	M	97.7	Very high	97	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-71.9	-32.9	176.1	-69.9	-56.2	-120.9	0	0	113.3	F351 W354 E358 L405 F409 R417 R418 I419 H423 L424 Q425	F351-M421 HydrophobicContact CE2-CG 3.91Å; F351-M421 HydrophobicContact CE2-SD 4.26Å; F351-M421 HydrophobicContact CZ-CG 4.14Å; F351-M421 HydrophobicContact CZ-SD 4.24Å; W354-M421 HydrophobicContact CD2-CE 3.48Å; W354-M421 VanDerWaalsContact CD2-CE 3.48Å; W354-M421 HydrophobicContact CE3-CE 3.59Å; W354-M421 HydrophobicContact CG-CE 4.21Å; W354-M421 HydrophobicContact CH2-CE 3.45Å; W354-M421 VanDerWaalsContact CH2-CE 3.45Å; W354-M421 HydrophobicContact CH2-CG 3.99Å; W354-M421 HydrophobicContact CZ2-CE 3.32Å; W354-M421 HydrophobicContact CZ3-CE 3.59Å; W354-M421 HydrophobicContact CZ3-CG 4.06Å; E358-M421 HydrophobicContact CB-CE 4.41Å; E358-M421 HydrophobicContact CG-CE 4Å; L405-M421 HydrophobicContact CD1-CE 4.39Å; F409-M421 HydrophobicContact CB-CB 3.55Å; F409-M421 HydrophobicContact CB-CG 3.95Å; F409-M421 HydrophobicContact CD1-CB 3.8Å; F409-M421 HydrophobicContact CG-CB 3.77Å; R417-M421 PolarHBondContact O-N 3.2Å; R418-M421 PolarHBondContact O-N 3.02Å; I419-M421 VanDerWaalsContact C-N 3.31Å; I419-M421 PolarHBondContact O-N 2.99Å; M421-H423 VanDerWaalsContact C-N 3.33Å; M421-L424 HydrophobicContact CE-CD2 4.46Å; M421-L424 WeakPolarHBondContact O-CB 3.48Å; M421-L424 PolarHBondContact O-N 3.19Å; M421-L424 HydrophobicContact SD-CD2 3.83Å; M421-Q425 PolarHBondContact O-N 3.03Å
422	A	97.2	Very high	97.2	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.8	-38.9	172	0	0	0	0	0	111.7	F409 R418 I419 Q425 Y426 L477 I481	F409-A422 HydrophobicContact CZ-CB 4.48Å; R418-A422 WeakPolarHBondContact O-CB 3.42Å; R418-A422 PolarHBondContact O-N 3.39Å; I419-A422 PolarHBondContact O-N 2.95Å; A422-Q425 WeakPolarHBondContact O-CB 3.47Å; A422-Q425 PolarHBondContact O-N 3.19Å; A422-Y426 PolarHBondContact O-N 3.46Å; A422-L477 HydrophobicContact CB-CD1 4.04Å; A422-I481 HydrophobicContact CB-CD1 3.97Å
423	H	97.8	Very high	97.3	Very high	86 Å²	86	39.1 Å²	39.1	40%	0.398	18%	0.183	S	C	.	.	H	α-helix	trans	-69.1	-33.6	172	-72.2	-55.5	0	0	0	113.1	I419 Q420 M421 Q425 Y426 S427 E478	I419-H423 PolarHBondContact O-CD2 2.98Å; I419-H423 VanDerWaalsContact O-CD2 3.27Å; I419-H423 PolarHBondContact O-N 3.49Å; Q420-H423 PolarHBondContact O-N 2.74Å; M421-H423 VanDerWaalsContact C-N 3.33Å; H423-Q425 VanDerWaalsContact C-N 3.35Å; H423-Y426 WeakPolarHBondContact O-CB 3.22Å; H423-Y426 PolarHBondContact O-N 3.49Å; H423-S427 PolarHBondContact O-N 2.79Å; H423-E478 IonicContact CE1-OE2 2.64Å; H423-E478 PolarHBondContact CE1-OE2 3.45Å; H423-E478 IonicContact NE2-OE2 3.02Å
424	L	98	Very high	97.5	Very high	12 Å²	12	39.2 Å²	39.2	6%	0.063	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-47	170	173.1	60.1	0	0	0	110.4	E358 Q359 Q420 M421 Y426 S427 L428	E358-L424 HydrophobicContact CB-CD2 4.1Å; Q359-L424 HydrophobicContact CB-CD1 3.67Å; Q359-L424 HydrophobicContact CB-CD2 4.24Å; Q359-L424 HydrophobicContact CG-CD1 3.72Å; Q420-L424 PolarHBondContact O-N 3.4Å; M421-L424 HydrophobicContact CE-CD2 4.46Å; M421-L424 WeakPolarHBondContact O-CB 3.48Å; M421-L424 PolarHBondContact O-N 3.19Å; M421-L424 HydrophobicContact SD-CD2 3.83Å; L424-Y426 VanDerWaalsContact C-N 3.34Å; L424-Y426 PolarHBondContact O-N 3.1Å; L424-S427 WeakPolarHBondContact O-CB 3.25Å; L424-S427 PolarHBondContact O-N 3.07Å; L424-S427 VanDerWaalsContact O-N 3.12Å; L424-L428 HydrophobicContact CD1-CD1 4.26Å; L424-L428 HydrophobicContact CD1-CG 4.25Å; L424-L428 HydrophobicContact CG-CD1 4.09Å; L424-L428 WeakPolarHBondContact O-CG 3.17Å; L424-L428 PolarHBondContact O-N 3.38Å
425	Q	98	Very high	97.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.3	-46.1	175.3	-177.5	175	54.7	0	0	111.6	M402 L405 T406 M421 A422 H423 S427 L428 F429 Y474	M402-Q425 PolarHBondContact O-NE2 3.39Å; M402-Q425 HydrophobicContact SD-CG 4.03Å; L405-Q425 HydrophobicContact CD2-CB 3.89Å; L405-Q425 HydrophobicContact CD2-CG 4.34Å; T406-Q425 PolarHBondContact OG1-NE2 3.5Å; M421-Q425 PolarHBondContact O-N 3.03Å; A422-Q425 WeakPolarHBondContact O-CB 3.47Å; A422-Q425 PolarHBondContact O-N 3.19Å; H423-Q425 VanDerWaalsContact C-N 3.35Å; Q425-S427 VanDerWaalsContact C-N 3.34Å; Q425-S427 PolarHBondContact O-N 3.43Å; Q425-L428 WeakPolarHBondContact O-CB 3.24Å; Q425-L428 PolarHBondContact O-N 2.95Å; Q425-L428 VanDerWaalsContact O-N 3.14Å; Q425-F429 HydrophobicContact CG-CD2 4Å; Q425-F429 HydrophobicContact CG-CE2 3.76Å; Q425-F429 VanDerWaalsContact O-CD2 3.28Å; Q425-F429 WeakPolarHBondContact O-CD2 3.22Å; Q425-F429 PolarHBondContact O-N 3.17Å; Q425-Y474 PolarHBondContact NE2-OH 3.48Å; Q425-Y474 VanDerWaalsContact OE1-CE1 3.31Å; Q425-Y474 PolarHBondContact OE1-OH 2.89Å
426	Y	98	Very high	97.5	Very high	56 Å²	56	34 Å²	34	22%	0.22	16%	0.161	C	C	.	.	H	α-helix	trans	-53.6	-50.5	172.6	-179.4	-74.5	0	0	0	111.5	A422 H423 L424 L428 F429 D430 I481 F482 L485	A422-Y426 PolarHBondContact O-N 3.46Å; H423-Y426 WeakPolarHBondContact O-CB 3.22Å; H423-Y426 PolarHBondContact O-N 3.49Å; L424-Y426 VanDerWaalsContact C-N 3.34Å; L424-Y426 PolarHBondContact O-N 3.1Å; Y426-L428 PolarHBondContact O-N 2.9Å; Y426-F429 PolarHBondContact O-N 3.34Å; Y426-F429 VanDerWaalsContact O-N 3.16Å; Y426-D430 PolarHBondContact O-N 3.45Å; Y426-I481 HydrophobicContact CD2-CG1 4.41Å; Y426-I481 WeakPolarHBondContact CD2-O 3.27Å; Y426-I481 WeakPolarHBondContact CE2-O 3.18Å; Y426-F482 HydrophobicContact CD2-CD1 4.15Å; Y426-L485 HydrophobicContact CD1-CD1 4.09Å; Y426-L485 HydrophobicContact CD2-CD1 3.35Å; Y426-L485 HydrophobicContact CD2-CG 4.01Å; Y426-L485 HydrophobicContact CE1-CD1 4.14Å; Y426-L485 HydrophobicContact CE1-CG 4.14Å; Y426-L485 HydrophobicContact CE2-CB 4.38Å; Y426-L485 HydrophobicContact CE2-CD1 3.45Å; Y426-L485 VanDerWaalsContact CE2-CD1 3.45Å; Y426-L485 HydrophobicContact CE2-CG 3.53Å; Y426-L485 HydrophobicContact CG-CD1 3.68Å; Y426-L485 HydrophobicContact CG-CG 4.5Å
427	S	98.2	Very high	97.4	Very high	35 Å²	35	29.9 Å²	29.9	25%	0.245	15%	0.145	C	C	.	.	H	α-helix	trans	-60.7	-34.4	179.4	179.9	0	0	0	0	112.4	R363 H423 L424 Q425 D430 D431	R363-S427 PolarHBondContact NH2-OG 2.78Å; H423-S427 PolarHBondContact O-N 2.79Å; L424-S427 WeakPolarHBondContact O-CB 3.25Å; L424-S427 PolarHBondContact O-N 3.07Å; L424-S427 VanDerWaalsContact O-N 3.12Å; Q425-S427 VanDerWaalsContact C-N 3.34Å; Q425-S427 PolarHBondContact O-N 3.43Å; S427-D430 PolarHBondContact O-N 3.19Å; S427-D431 WeakPolarHBondContact O-CB 3.39Å; S427-D431 PolarHBondContact O-N 3.46Å
428	L	98.5	Very high	97.2	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	16%	0.164	C	C	.	.	H	α-helix	trans	-69.1	-38.7	177	-69.3	166.7	0	0	0	111.9	L362 R363 F398 M402 L405 L424 Q425 Y426 D431 F432	L362-L428 HydrophobicContact CB-CD1 3.93Å; L362-L428 HydrophobicContact CB-CD2 3.98Å; L362-L428 HydrophobicContact CD1-CD1 3.56Å; L362-L428 HydrophobicContact CG-CD1 4.39Å; R363-L428 HydrophobicContact CG-CD2 3.7Å; F398-L428 HydrophobicContact CZ-CB 4.45Å; M402-L428 HydrophobicContact CE-CB 4.41Å; M402-L428 HydrophobicContact CE-CD1 4.1Å; M402-L428 HydrophobicContact SD-CB 4.06Å; M402-L428 HydrophobicContact SD-CD1 4.25Å; L405-L428 HydrophobicContact CD2-CD1 3.95Å; L424-L428 HydrophobicContact CD1-CD1 4.26Å; L424-L428 HydrophobicContact CD1-CG 4.25Å; L424-L428 HydrophobicContact CG-CD1 4.09Å; L424-L428 WeakPolarHBondContact O-CG 3.17Å; L424-L428 PolarHBondContact O-N 3.38Å; Q425-L428 WeakPolarHBondContact O-CB 3.24Å; Q425-L428 PolarHBondContact O-N 2.95Å; Q425-L428 VanDerWaalsContact O-N 3.14Å; Y426-L428 PolarHBondContact O-N 2.9Å; L428-D431 PolarHBondContact O-N 3.16Å; L428-F432 WeakPolarHBondContact O-CB 3.19Å; L428-F432 PolarHBondContact O-N 3.07Å
429	F	98.4	Very high	96.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.7	-41.2	171.5	-83.9	-78.3	0	0	0	112	F398 L399 M402 Q425 Y426 F432 R433 L461 L465 W468 L485 F489	F398-F429 HydrophobicContact CD1-CE1 4.3Å; F398-F429 AromaticContact CE1-CD1 3.58Å; F398-F429 HydrophobicContact CE1-CD1 3.58Å; F398-F429 AromaticContact CE1-CE1 3.67Å; F398-F429 HydrophobicContact CE1-CE1 3.67Å; F398-F429 HydrophobicContact CE1-CG 4.13Å; F398-F429 HydrophobicContact CE1-CZ 4.28Å; F398-F429 HydrophobicContact CZ-CD1 4.36Å; F398-F429 HydrophobicContact CZ-CG 4.49Å; L399-F429 HydrophobicContact CD2-CE1 3.91Å; L399-F429 HydrophobicContact CD2-CZ 3.98Å; M402-F429 HydrophobicContact CB-CE2 4.14Å; M402-F429 HydrophobicContact CB-CZ 4.02Å; M402-F429 HydrophobicContact CG-CD2 4.48Å; M402-F429 HydrophobicContact CG-CE1 4.38Å; M402-F429 HydrophobicContact CG-CE2 3.74Å; M402-F429 HydrophobicContact CG-CZ 3.68Å; M402-F429 HydrophobicContact SD-CD2 4.49Å; M402-F429 HydrophobicContact SD-CE2 4.19Å; Q425-F429 HydrophobicContact CG-CD2 4Å; Q425-F429 HydrophobicContact CG-CE2 3.76Å; Q425-F429 VanDerWaalsContact O-CD2 3.28Å; Q425-F429 WeakPolarHBondContact O-CD2 3.22Å; Q425-F429 PolarHBondContact O-N 3.17Å; Y426-F429 PolarHBondContact O-N 3.34Å; Y426-F429 VanDerWaalsContact O-N 3.16Å; F429-F432 PolarHBondContact O-N 3.5Å; F429-R433 PolarHBondContact O-N 3.36Å; F429-L461 HydrophobicContact CE1-CD2 4.13Å; F429-L465 HydrophobicContact CD1-CD1 3.96Å; F429-L465 HydrophobicContact CD1-CD2 4.13Å; F429-L465 HydrophobicContact CD1-CG 4.33Å; F429-L465 HydrophobicContact CD2-CD2 4.03Å; F429-L465 HydrophobicContact CE1-CD1 4.22Å; F429-L465 HydrophobicContact CE1-CD2 3.79Å; F429-L465 HydrophobicContact CE1-CG 4.08Å; F429-L465 HydrophobicContact CE2-CD2 3.69Å; F429-L465 HydrophobicContact CG-CD1 4.33Å; F429-L465 HydrophobicContact CG-CD2 4.26Å; F429-L465 HydrophobicContact CZ-CD2 3.57Å; F429-L465 HydrophobicContact CZ-CG 4.33Å; F429-W468 HydrophobicContact CE2-CE3 4.48Å; F429-W468 AromaticContact CE2-CZ3 3.99Å; F429-W468 HydrophobicContact CE2-CZ3 3.99Å; F429-W468 HydrophobicContact CZ-CE3 4.33Å; F429-W468 HydrophobicContact CZ-CH2 4.41Å; F429-W468 AromaticContact CZ-CZ3 3.77Å; F429-W468 HydrophobicContact CZ-CZ3 3.77Å; F429-L485 HydrophobicContact CB-CD1 3.62Å; F429-L485 HydrophobicContact CB-CD2 4.25Å; F429-L485 HydrophobicContact CG-CD1 4.43Å; F429-F489 HydrophobicContact CB-CE2 4.39Å; F429-F489 HydrophobicContact CD1-CE2 4.21Å; F429-F489 HydrophobicContact CD1-CZ 4.36Å
430	D	98.1	Very high	96.7	Very high	43 Å²	43	30 Å²	30	23%	0.23	16%	0.157	C	C	.	.	H	α-helix	trans	-61.6	-47	176.5	-162.7	45.9	0	0	0	111.1	Y426 S427 F432 R433 D434 L485	Y426-D430 PolarHBondContact O-N 3.45Å; S427-D430 PolarHBondContact O-N 3.19Å; D430-F432 VanDerWaalsContact C-N 3.33Å; D430-F432 PolarHBondContact O-N 3.02Å; D430-R433 WeakPolarHBondContact O-CB 3.33Å; D430-R433 PolarHBondContact O-N 2.96Å; D430-R433 IonicContact OD1-CZ 3.86Å; D430-R433 IonicContact OD1-NH1 3.58Å; D430-R433 PolarHBondContact OD1-NH1 3.41Å; D430-R433 IonicContact OD1-NH2 3.26Å; D430-R433 PolarHBondContact OD1-NH2 3.45Å; D430-D434 PolarHBondContact O-N 2.77Å; D430-L485 HydrophobicContact CB-CD2 4.02Å
431	D	97.6	Very high	96.4	Very high	42 Å²	42	34.1 Å²	34.1	23%	0.225	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-41.6	174.8	-72.4	-26.9	0	0	0	111.6	R363 S427 L428 D434 Q435	R363-D431 IonicContact CZ-OD2 3.56Å; R363-D431 VanDerWaalsContact CZ-OD2 3.25Å; R363-D431 IonicContact NE-OD2 2.77Å; R363-D431 PolarHBondContact NE-OD2 3.08Å; R363-D431 IonicContact NH2-OD2 3.44Å; R363-D431 PolarHBondContact NH2-OD2 3.37Å; S427-D431 WeakPolarHBondContact O-CB 3.39Å; S427-D431 PolarHBondContact O-N 3.46Å; L428-D431 PolarHBondContact O-N 3.16Å; D431-D434 PolarHBondContact O-N 3.46Å; D431-Q435 VanDerWaalsContact O-CG 3.3Å; D431-Q435 WeakPolarHBondContact O-CG 3.38Å; D431-Q435 PolarHBondContact O-N 3.11Å
432	F	98	Very high	96	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65	-41.8	177.8	-166.6	-91.8	0	0	0	111.5	S366 L369 F370 F398 L428 F429 D430 D434 Q435 L436 L461	S366-F432 VanDerWaalsContact OG-CD2 3.27Å; S366-F432 WeakPolarHBondContact OG-CD2 3.38Å; L369-F432 HydrophobicContact CD1-CE2 4.42Å; F370-F432 HydrophobicContact CE2-CD2 4.12Å; F370-F432 AromaticContact CE2-CE2 3.67Å; F370-F432 HydrophobicContact CE2-CE2 3.67Å; F370-F432 HydrophobicContact CE2-CZ 4.11Å; F370-F432 HydrophobicContact CZ-CD2 4.4Å; F370-F432 HydrophobicContact CZ-CE1 4.37Å; F370-F432 AromaticContact CZ-CE2 3.92Å; F370-F432 HydrophobicContact CZ-CE2 3.92Å; F370-F432 AromaticContact CZ-CZ 3.9Å; F370-F432 HydrophobicContact CZ-CZ 3.9Å; F398-F432 HydrophobicContact CB-CD2 4.16Å; F398-F432 HydrophobicContact CB-CE2 3.7Å; F398-F432 HydrophobicContact CB-CZ 3.98Å; F398-F432 HydrophobicContact CD1-CB 4.4Å; F398-F432 HydrophobicContact CD1-CD1 4.13Å; F398-F432 AromaticContact CD1-CD2 3.92Å; F398-F432 HydrophobicContact CD1-CD2 3.92Å; F398-F432 HydrophobicContact CD1-CE1 4.4Å; F398-F432 HydrophobicContact CD1-CE2 4.23Å; F398-F432 AromaticContact CD1-CG 3.89Å; F398-F432 HydrophobicContact CD1-CG 3.89Å; F398-F432 HydrophobicContact CD1-CZ 4.45Å; F398-F432 AromaticContact CD2-CD2 3.41Å; F398-F432 HydrophobicContact CD2-CD2 3.41Å; F398-F432 VanDerWaalsContact CD2-CD2 3.41Å; F398-F432 AromaticContact CD2-CE2 3.78Å; F398-F432 HydrophobicContact CD2-CE2 3.78Å; F398-F432 HydrophobicContact CD2-CG 4.1Å; F398-F432 HydrophobicContact CE1-CB 3.85Å; F398-F432 HydrophobicContact CE1-CD1 4.31Å; F398-F432 HydrophobicContact CE1-CD2 4.15Å; F398-F432 AromaticContact CE1-CG 3.85Å; F398-F432 HydrophobicContact CE1-CG 3.85Å; F398-F432 HydrophobicContact CE2-CB 4.01Å; F398-F432 AromaticContact CE2-CD2 3.68Å; F398-F432 HydrophobicContact CE2-CD2 3.68Å; F398-F432 HydrophobicContact CE2-CE2 4.49Å; F398-F432 HydrophobicContact CE2-CG 4.07Å; F398-F432 HydrophobicContact CG-CD1 4.47Å; F398-F432 AromaticContact CG-CD2 3.53Å; F398-F432 HydrophobicContact CG-CD2 3.53Å; F398-F432 AromaticContact CG-CE2 3.62Å; F398-F432 HydrophobicContact CG-CE2 3.62Å; F398-F432 HydrophobicContact CG-CG 4.01Å; F398-F432 HydrophobicContact CG-CZ 4.14Å; F398-F432 HydrophobicContact CZ-CB 3.64Å; F398-F432 HydrophobicContact CZ-CD2 4.05Å; F398-F432 AromaticContact CZ-CG 3.96Å; F398-F432 HydrophobicContact CZ-CG 3.96Å; L428-F432 WeakPolarHBondContact O-CB 3.19Å; L428-F432 PolarHBondContact O-N 3.07Å; F429-F432 PolarHBondContact O-N 3.5Å; D430-F432 VanDerWaalsContact C-N 3.33Å; D430-F432 PolarHBondContact O-N 3.02Å; F432-D434 VanDerWaalsContact C-N 3.33Å; F432-D434 PolarHBondContact O-N 3.46Å; F432-Q435 WeakPolarHBondContact O-CB 3.36Å; F432-Q435 PolarHBondContact O-N 2.89Å; F432-L436 HydrophobicContact CD1-CD1 3.94Å; F432-L436 HydrophobicContact CD1-CD2 4.43Å; F432-L436 HydrophobicContact CD1-CG 3.95Å; F432-L436 HydrophobicContact CE1-CD1 3.89Å; F432-L436 HydrophobicContact CE1-CD2 3.8Å; F432-L436 HydrophobicContact CE1-CG 3.82Å; F432-L436 HydrophobicContact CZ-CD2 4.37Å; F432-L436 WeakPolarHBondContact O-CG 3.34Å; F432-L436 PolarHBondContact O-N 2.97Å; F432-L461 HydrophobicContact CD1-CD1 3.71Å; F432-L461 HydrophobicContact CE1-CD1 3.75Å
433	R	97.6	Very high	95.5	Very high	25 Å²	25	35.7 Å²	35.7	9%	0.094	18%	0.182	C	C	.	.	H	α-helix	trans	-59.2	-44.6	174.6	-173.9	-154.7	66	-138.8	-12.2	111.4	F429 D430 Q435 L436 M437 F489 L492	F429-R433 PolarHBondContact O-N 3.36Å; D430-R433 WeakPolarHBondContact O-CB 3.33Å; D430-R433 PolarHBondContact O-N 2.96Å; D430-R433 IonicContact OD1-CZ 3.86Å; D430-R433 IonicContact OD1-NH1 3.58Å; D430-R433 PolarHBondContact OD1-NH1 3.41Å; D430-R433 IonicContact OD1-NH2 3.26Å; D430-R433 PolarHBondContact OD1-NH2 3.45Å; R433-Q435 VanDerWaalsContact C-N 3.3Å; R433-Q435 PolarHBondContact O-N 2.74Å; R433-L436 WeakPolarHBondContact O-CB 3.46Å; R433-L436 PolarHBondContact O-N 2.9Å; R433-M437 PolarHBondContact O-N 3.38Å; R433-F489 HydrophobicContact CB-CD1 4.27Å; R433-F489 HydrophobicContact CB-CE1 3.57Å; R433-F489 HydrophobicContact CB-CZ 3.71Å; R433-F489 HydrophobicContact CG-CD1 4Å; R433-F489 HydrophobicContact CG-CE1 3.81Å; R433-F489 HydrophobicContact CG-CZ 4.31Å; R433-L492 HydrophobicContact CG-CD2 3.9Å
434	D	96.7	Very high	94.9	Very high	76 Å²	76	34.3 Å²	34.3	41%	0.406	19%	0.185	S	C	.	.	H	α-helix	trans	-65.2	-36.9	178.7	-77.1	-2.8	0	0	0	111.7	D430 D431 F432 M437 A438	D430-D434 PolarHBondContact O-N 2.77Å; D431-D434 PolarHBondContact O-N 3.46Å; F432-D434 VanDerWaalsContact C-N 3.33Å; F432-D434 PolarHBondContact O-N 3.46Å; D434-M437 PolarHBondContact O-N 2.89Å; D434-A438 WeakPolarHBondContact O-CB 3.24Å; D434-A438 PolarHBondContact O-N 2.8Å
435	Q	96	Very high	94.2	Very high	39 Å²	39	41.8 Å²	41.8	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-44.6	172	-70.9	172	26.1	0	0	112	S366 F370 D431 F432 R433 M437 A438 F439	S366-Q435 PolarHBondContact OG-OE1 2.81Å; F370-Q435 HydrophobicContact CD2-CB 4.49Å; F370-Q435 HydrophobicContact CE1-CB 4.45Å; F370-Q435 HydrophobicContact CE2-CB 3.77Å; F370-Q435 VanDerWaalsContact CE2-OE1 3.27Å; F370-Q435 HydrophobicContact CZ-CB 3.75Å; D431-Q435 VanDerWaalsContact O-CG 3.3Å; D431-Q435 WeakPolarHBondContact O-CG 3.38Å; D431-Q435 PolarHBondContact O-N 3.11Å; F432-Q435 WeakPolarHBondContact O-CB 3.36Å; F432-Q435 PolarHBondContact O-N 2.89Å; R433-Q435 VanDerWaalsContact C-N 3.3Å; R433-Q435 PolarHBondContact O-N 2.74Å; Q435-M437 VanDerWaalsContact C-N 3.31Å; Q435-M437 PolarHBondContact O-N 3.44Å; Q435-A438 PolarHBondContact O-N 3.1Å; Q435-F439 VanDerWaalsContact O-CB 3.3Å; Q435-F439 WeakPolarHBondContact O-CB 3.46Å; Q435-F439 PolarHBondContact O-N 2.89Å
436	L	96	Very high	93.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56.6	-45.7	173.8	-69.8	178.1	0	0	0	111.2	F370 W376 F432 R433 F439 A440 I454 A457 L461 F489 L492	F370-L436 HydrophobicContact CE1-CD2 3.83Å; F370-L436 HydrophobicContact CZ-CD2 3.85Å; F370-L436 HydrophobicContact CZ-CG 4.29Å; W376-L436 HydrophobicContact CH2-CD2 3.74Å; W376-L436 HydrophobicContact CZ3-CD2 4.15Å; F432-L436 HydrophobicContact CD1-CD1 3.94Å; F432-L436 HydrophobicContact CD1-CD2 4.43Å; F432-L436 HydrophobicContact CD1-CG 3.95Å; F432-L436 HydrophobicContact CE1-CD1 3.89Å; F432-L436 HydrophobicContact CE1-CD2 3.8Å; F432-L436 HydrophobicContact CE1-CG 3.82Å; F432-L436 HydrophobicContact CZ-CD2 4.37Å; F432-L436 WeakPolarHBondContact O-CG 3.34Å; F432-L436 PolarHBondContact O-N 2.97Å; R433-L436 WeakPolarHBondContact O-CB 3.46Å; R433-L436 PolarHBondContact O-N 2.9Å; L436-F439 PolarHBondContact O-N 3.26Å; L436-A440 WeakPolarHBondContact O-CB 3.28Å; L436-A440 PolarHBondContact O-N 3.41Å; L436-I454 HydrophobicContact CB-CG2 4Å; L436-I454 HydrophobicContact CD2-CG2 4.24Å; L436-A457 HydrophobicContact CD2-CB 4.49Å; L436-L461 HydrophobicContact CD1-CD1 4.11Å; L436-F489 HydrophobicContact CD1-CE1 4.02Å; L436-L492 HydrophobicContact CB-CD2 3.91Å; L436-L492 HydrophobicContact CD1-CD2 4.19Å
437	M	94.5	Very high	92.5	Very high	44 Å²	44	47.7 Å²	47.7	22%	0.217	27%	0.266	C	S	.	.	H	α-helix	trans	-66.4	-43.9	-179.8	-170.9	-177.9	-63.9	0	0	112.2	R433 D434 Q435 F439 A440 R441 L492	R433-M437 PolarHBondContact O-N 3.38Å; D434-M437 PolarHBondContact O-N 2.89Å; Q435-M437 VanDerWaalsContact C-N 3.31Å; Q435-M437 PolarHBondContact O-N 3.44Å; M437-F439 VanDerWaalsContact C-N 3.34Å; M437-A440 PolarHBondContact O-N 3.06Å; M437-R441 WeakPolarHBondContact O-CG 3.47Å; M437-R441 PolarHBondContact O-N 3.14Å; M437-R441 PolarHBondContact SD-NH2 2.94Å; M437-L492 HydrophobicContact CB-CD1 4.04Å; M437-L492 HydrophobicContact CE-CD1 3.95Å; M437-L492 HydrophobicContact CG-CD1 4.15Å
438	A	93	Very high	91.5	Very high	58 Å²	58	51.1 Å²	51.1	48%	0.479	27%	0.274	S	S	.	.	H	α-helix	trans	-63	-42.4	176.8	0	0	0	0	0	111.3	D434 Q435 R441 A442	D434-A438 WeakPolarHBondContact O-CB 3.24Å; D434-A438 PolarHBondContact O-N 2.8Å; Q435-A438 PolarHBondContact O-N 3.1Å; A438-R441 PolarHBondContact O-N 3.29Å; A438-A442 PolarHBondContact O-N 3.42Å
439	F	91.7	Very high	90.6	Very high	34 Å²	34	56 Å²	56	15%	0.149	30%	0.297	C	S	.	.	H	α-helix	trans	-66.5	-38.7	178.8	-164.7	-88.7	0	0	0	112.4	F370 W376 Q435 L436 M437 R441 A442 S443 V450 I454	F370-F439 HydrophobicContact CB-CD2 4.43Å; F370-F439 HydrophobicContact CD1-CB 4.19Å; F370-F439 AromaticContact CD1-CD2 3.94Å; F370-F439 HydrophobicContact CD1-CD2 3.94Å; F370-F439 HydrophobicContact CD1-CG 4.04Å; F370-F439 HydrophobicContact CE1-CB 4.29Å; W376-F439 AromaticContact CE2-CD1 3.86Å; W376-F439 AromaticContact CE2-CE1 3.47Å; W376-F439 VanDerWaalsContact CE2-CE1 3.47Å; W376-F439 HydrophobicContact CH2-CD1 4.3Å; W376-F439 AromaticContact CZ2-CD1 3.36Å; W376-F439 HydrophobicContact CZ2-CD1 3.36Å; W376-F439 AromaticContact CZ2-CE1 3.49Å; W376-F439 HydrophobicContact CZ2-CE1 3.49Å; W376-F439 VanDerWaalsContact CZ2-CE1 3.49Å; W376-F439 AromaticContact CZ2-CG 3.96Å; W376-F439 HydrophobicContact CZ2-CG 3.96Å; W376-F439 HydrophobicContact CZ2-CZ 4.18Å; W376-F439 AromaticContact NE1-CD1 3.97Å; W376-F439 AromaticContact NE1-CE1 3.11Å; W376-F439 AromaticContact NE1-CZ 3.38Å; Q435-F439 VanDerWaalsContact O-CB 3.3Å; Q435-F439 WeakPolarHBondContact O-CB 3.46Å; Q435-F439 PolarHBondContact O-N 2.89Å; L436-F439 PolarHBondContact O-N 3.26Å; M437-F439 VanDerWaalsContact C-N 3.34Å; F439-R441 VanDerWaalsContact C-N 3.34Å; F439-R441 PolarHBondContact O-N 2.86Å; F439-A442 PolarHBondContact O-N 3.24Å; F439-S443 WeakPolarHBondContact CD1-OG 3.45Å; F439-S443 VanDerWaalsContact CE1-OG 3.27Å; F439-S443 WeakPolarHBondContact CE1-OG 3.39Å; F439-S443 VanDerWaalsContact O-CB 3.24Å; F439-S443 WeakPolarHBondContact O-CB 3.22Å; F439-S443 PolarHBondContact O-N 3.09Å; F439-S443 PolarHBondContact O-OG 2.79Å; F439-V450 HydrophobicContact CD1-CG2 4.16Å; F439-V450 HydrophobicContact CE1-CG2 3.93Å; F439-I454 HydrophobicContact CD1-CD1 4.1Å
440	A	91.9	Very high	90.2	Very high	3 Å²	3	57 Å²	57	3%	0.025	30%	0.302	C	S	.	.	H	α-helix	trans	-59	-45.8	174.2	0	0	0	0	0	111.6	L436 M437 S443 A444 H451 I454 L496	L436-A440 WeakPolarHBondContact O-CB 3.28Å; L436-A440 PolarHBondContact O-N 3.41Å; M437-A440 PolarHBondContact O-N 3.06Å; A440-S443 PolarHBondContact O-N 3.13Å; A440-A444 PolarHBondContact O-N 3.16Å; A440-H451 PolarHBondContact O-NE2 3.1Å; A440-I454 HydrophobicContact CB-CD1 3.64Å; A440-L496 HydrophobicContact CB-CD2 3.5Å
441	R	90.9	Very high	89.9	Confident	161 Å²	161	56.4 Å²	56.4	61%	0.608	30%	0.298	S	S	*	.	H	α-helix	trans	-63	-50.7	178.4	-69	174.4	-175.6	167.3	3	111.9	M437 A438 F439 S443 A444 E445	M437-R441 WeakPolarHBondContact O-CG 3.47Å; M437-R441 PolarHBondContact O-N 3.14Å; M437-R441 PolarHBondContact SD-NH2 2.94Å; A438-R441 PolarHBondContact O-N 3.29Å; F439-R441 VanDerWaalsContact C-N 3.34Å; F439-R441 PolarHBondContact O-N 2.86Å; R441-S443 VanDerWaalsContact C-N 3.28Å; R441-S443 PolarHBondContact O-N 3.34Å; R441-A444 WeakPolarHBondContact O-CB 3.38Å; R441-A444 PolarHBondContact O-N 3.43Å; R441-A444 VanDerWaalsContact O-N 3.16Å; R441-E445 PolarHBondContact O-N 3.35Å; R441-E445 VanDerWaalsContact O-N 3.14Å
442	A	90.1	Very high	89.8	Confident	33 Å²	33	54.8 Å²	54.8	27%	0.273	29%	0.289	S	S	.	.	H	α-helix	trans	-60.5	-40.2	178.4	0	0	0	0	0	111.8	A438 F439 A444 E445 E446	A438-A442 PolarHBondContact O-N 3.42Å; F439-A442 PolarHBondContact O-N 3.24Å; A442-A444 VanDerWaalsContact C-N 3.33Å; A442-A444 PolarHBondContact O-N 3.12Å; A442-E445 PolarHBondContact O-N 3.43Å; A442-E446 WeakPolarHBondContact O-CG 3.41Å; A442-E446 PolarHBondContact O-N 3.13Å
443	S	86.7	Confident	89.6	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.4	-38.1	177.1	-62.9	0	0	0	0	112.5	F439 A440 R441 E445 E446 G447 R448 V450	F439-S443 WeakPolarHBondContact CD1-OG 3.45Å; F439-S443 VanDerWaalsContact CE1-OG 3.27Å; F439-S443 WeakPolarHBondContact CE1-OG 3.39Å; F439-S443 VanDerWaalsContact O-CB 3.24Å; F439-S443 WeakPolarHBondContact O-CB 3.22Å; F439-S443 PolarHBondContact O-N 3.09Å; F439-S443 PolarHBondContact O-OG 2.79Å; A440-S443 PolarHBondContact O-N 3.13Å; R441-S443 VanDerWaalsContact C-N 3.28Å; R441-S443 PolarHBondContact O-N 3.34Å; S443-E445 VanDerWaalsContact C-N 3.35Å; S443-E446 PolarHBondContact O-N 3.24Å; S443-G447 PolarHBondContact O-N 3.42Å; S443-G447 VanDerWaalsContact O-N 3.15Å; S443-R448 CarbonylContact C-O 3.56Å; S443-R448 PolarHBondContact O-N 2.98Å; S443-V450 VanDerWaalsContact CB-CG2 3.42Å; S443-V450 VanDerWaalsContact OG-CG2 3.23Å; S443-V450 WeakPolarHBondContact OG-CG2 3.43Å
444	A	84.7	Confident	89.4	Confident	56 Å²	56	54.9 Å²	54.9	46%	0.463	29%	0.291	S	S	.	.	H	α-helix	trans	-62.2	-42	174.6	0	0	0	0	0	112	A440 R441 A442 E446 G447	A440-A444 PolarHBondContact O-N 3.16Å; R441-A444 WeakPolarHBondContact O-CB 3.38Å; R441-A444 PolarHBondContact O-N 3.43Å; R441-A444 VanDerWaalsContact O-N 3.16Å; A442-A444 VanDerWaalsContact C-N 3.33Å; A442-A444 PolarHBondContact O-N 3.12Å; A444-E446 VanDerWaalsContact C-N 3.33Å; A444-E446 PolarHBondContact O-N 3.03Å; A444-G447 PolarHBondContact O-N 3.23Å
445	E	83.1	Confident	89.4	Confident	169 Å²	169	51.3 Å²	51.3	79%	0.79	27%	0.272	S	S	*	.	H	α-helix	trans	-66	-35	178.6	-69.1	174	-175.6	0	0	112.5	R441 A442 S443 G447	R441-E445 PolarHBondContact O-N 3.35Å; R441-E445 VanDerWaalsContact O-N 3.14Å; A442-E445 PolarHBondContact O-N 3.43Å; S443-E445 VanDerWaalsContact C-N 3.35Å; E445-G447 VanDerWaalsContact C-N 3.33Å
446	E	82.3	Confident	89.4	Confident	119 Å²	119	49.5 Å²	49.5	56%	0.556	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-0.6	178.1	-65.9	177.9	-151.9	0	0	114.1	A442 S443 A444 R448	A442-E446 WeakPolarHBondContact O-CG 3.41Å; A442-E446 PolarHBondContact O-N 3.13Å; S443-E446 PolarHBondContact O-N 3.24Å; A444-E446 VanDerWaalsContact C-N 3.33Å; A444-E446 PolarHBondContact O-N 3.03Å; E446-R448 HydrophobicContact CB-CG 4.36Å; E446-R448 PolarHBondContact O-N 3.01Å; E446-R448 IonicContact OE1-NH2 3.88Å; E446-R448 PolarHBondContact OE1-NH2 2.99Å; E446-R448 VanDerWaalsContact OE1-NH2 3.11Å; E446-R448 IonicContact OE2-CZ 2.62Å; E446-R448 IonicContact OE2-NE 2.85Å; E446-R448 PolarHBondContact OE2-NE 2.93Å; E446-R448 IonicContact OE2-NH2 3.27Å; E446-R448 PolarHBondContact OE2-NH2 3.39Å
447	G	78.4	Confident	89.4	Confident	62 Å²	62	49.5 Å²	49.5	64%	0.639	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	13.2	-176.4	0	0	0	0	0	114.5	S443 A444 E445	S443-G447 PolarHBondContact O-N 3.42Å; S443-G447 VanDerWaalsContact O-N 3.15Å; A444-G447 PolarHBondContact O-N 3.23Å; E445-G447 VanDerWaalsContact C-N 3.33Å
448	R	77.5	Confident	89.5	Confident	106 Å²	106	47.4 Å²	47.4	40%	0.4	25%	0.253	S	S	.	.			trans	-76.9	131.6	173.9	-69.1	-167.7	-89.9	164.2	-4.4	110.3	S443 E446 V450	S443-R448 CarbonylContact C-O 3.56Å; S443-R448 PolarHBondContact O-N 2.98Å; E446-R448 HydrophobicContact CB-CG 4.36Å; E446-R448 PolarHBondContact O-N 3.01Å; E446-R448 IonicContact OE1-NH2 3.88Å; E446-R448 PolarHBondContact OE1-NH2 2.99Å; E446-R448 VanDerWaalsContact OE1-NH2 3.11Å; E446-R448 IonicContact OE2-CZ 2.62Å; E446-R448 IonicContact OE2-NE 2.85Å; E446-R448 PolarHBondContact OE2-NE 2.93Å; E446-R448 IonicContact OE2-NH2 3.27Å; E446-R448 PolarHBondContact OE2-NH2 3.39Å; R448-V450 PolarHBondContact O-N 3.22Å
449	Q	80.4	Confident	89.6	Confident	107 Å²	107	45.6 Å²	45.6	50%	0.5	24%	0.237	S	C	.	.			trans	-99	88.1	178.5	-63.1	-178.4	5.1	0	0	109.4	E546 R550	Q449-E546 PolarHBondContact OE1-OE1 3.44Å; Q449-R550 PolarHBondContact O-NH2 3.04Å
450	V	89	Confident	89.8	Confident	19 Å²	19	45.2 Å²	45.2	12%	0.115	24%	0.236	C	C	.	.			trans	-121.6	6.4	176	-67	0	0	0	0	113.3	W376 F439 S443 R448 F452 E453 I454	W376-V450 HydrophobicContact CG-CG1 4.28Å; F439-V450 HydrophobicContact CD1-CG2 4.16Å; F439-V450 HydrophobicContact CE1-CG2 3.93Å; S443-V450 VanDerWaalsContact CB-CG2 3.42Å; S443-V450 VanDerWaalsContact OG-CG2 3.23Å; S443-V450 WeakPolarHBondContact OG-CG2 3.43Å; R448-V450 PolarHBondContact O-N 3.22Å; V450-F452 VanDerWaalsContact C-N 3.25Å; V450-F452 PolarHBondContact O-N 3.35Å; V450-E453 VanDerWaalsContact C-OE2 3.23Å; V450-E453 VanDerWaalsContact CA-OE2 3.23Å; V450-E453 WeakPolarHBondContact CA-OE2 3.2Å; V450-E453 PolarHBondContact O-N 3.36Å; V450-I454 HydrophobicContact CB-CD1 4.47Å; V450-I454 HydrophobicContact CG2-CD1 3.8Å; V450-I454 VanDerWaalsContact O-CG1 3.3Å; V450-I454 WeakPolarHBondContact O-CG1 3.15Å; V450-I454 PolarHBondContact O-N 3.43Å
451	H	92.8	Very high	90	Very high	31 Å²	31	45.1 Å²	45.1	14%	0.144	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-31.2	-171.6	-70.7	76.8	0	0	0	112.7	A440 A455 V500	A440-H451 PolarHBondContact O-NE2 3.1Å; H451-A455 WeakPolarHBondContact O-CB 3.38Å; H451-A455 PolarHBondContact O-N 3.21Å; H451-V500 HydrophobicContact CB-CG2 3.37Å
452	F	94.2	Very high	90.4	Very high	9 Å²	9	37.8 Å²	37.8	4%	0.039	21%	0.208	C	C	.	.	H	α-helix	trans	-69.3	-43.7	177	-69	-25.8	0	0	0	111.7	V450 I454 A455 N456 L497 V500 A547 R550 L551 W559	V450-F452 VanDerWaalsContact C-N 3.25Å; V450-F452 PolarHBondContact O-N 3.35Å; F452-I454 VanDerWaalsContact C-N 3.34Å; F452-I454 PolarHBondContact O-N 3.2Å; F452-A455 PolarHBondContact O-N 3.22Å; F452-N456 PolarHBondContact O-N 3.36Å; F452-L497 HydrophobicContact CD1-CD2 4.35Å; F452-V500 HydrophobicContact CE1-CB 4.28Å; F452-V500 HydrophobicContact CE1-CG1 3.68Å; F452-V500 HydrophobicContact CE1-CG2 4.49Å; F452-V500 HydrophobicContact CZ-CG1 3.83Å; F452-A547 HydrophobicContact CE2-CB 3.86Å; F452-A547 HydrophobicContact CZ-CB 3.77Å; F452-R550 HydrophobicContact CB-CB 4.2Å; F452-R550 HydrophobicContact CD2-CB 3.93Å; F452-L551 HydrophobicContact CB-CD2 3.58Å; F452-L551 HydrophobicContact CB-CG 4.02Å; F452-L551 HydrophobicContact CD1-CD1 3.78Å; F452-L551 HydrophobicContact CD1-CD2 3.58Å; F452-L551 HydrophobicContact CD1-CG 3.72Å; F452-L551 HydrophobicContact CD2-CG 4.39Å; F452-L551 HydrophobicContact CE1-CD1 3.8Å; F452-L551 HydrophobicContact CE1-CD2 4.44Å; F452-L551 HydrophobicContact CE1-CG 4.22Å; F452-L551 HydrophobicContact CG-CD1 4.32Å; F452-L551 HydrophobicContact CG-CD2 3.76Å; F452-L551 HydrophobicContact CG-CG 3.81Å; F452-L551 HydrophobicContact CZ-CD1 4.37Å; F452-W559 HydrophobicContact CE1-CG 4.48Å; F452-W559 AromaticContact CE1-NE1 3.9Å; F452-W559 HydrophobicContact CZ-CZ2 4.22Å
453	E	93.6	Very high	90.6	Very high	27 Å²	27	39.9 Å²	39.9	13%	0.126	21%	0.212	C	C	.	.	H	α-helix	trans	-66.2	-38.9	177.9	-64.2	72.5	-161.6	0	0	110.9	W376 V450 N456 A457 R550	W376-E453 HydrophobicContact CB-CB 4.14Å; W376-E453 HydrophobicContact CB-CG 4.16Å; W376-E453 HydrophobicContact CD2-CB 4.46Å; W376-E453 HydrophobicContact CE3-CB 3.83Å; W376-E453 WeakPolarHBondContact O-CG 3.45Å; V450-E453 VanDerWaalsContact C-OE2 3.23Å; V450-E453 VanDerWaalsContact CA-OE2 3.23Å; V450-E453 WeakPolarHBondContact CA-OE2 3.2Å; V450-E453 PolarHBondContact O-N 3.36Å; E453-N456 PolarHBondContact O-N 3.32Å; E453-A457 WeakPolarHBondContact O-CB 3.48Å; E453-A457 PolarHBondContact O-N 3.2Å; E453-R550 IonicContact OE1-CZ 3.6Å; E453-R550 VanDerWaalsContact OE1-CZ 3.22Å; E453-R550 IonicContact OE1-NE 3.88Å; E453-R550 PolarHBondContact OE1-NE 3.06Å; E453-R550 IonicContact OE1-NH2 3.67Å; E453-R550 PolarHBondContact OE1-NH2 3Å; E453-R550 IonicContact OE2-CZ 2.69Å; E453-R550 IonicContact OE2-NH2 3.68Å; E453-R550 PolarHBondContact OE2-NH2 3.46Å
454	I	95.2	Very high	91	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.4	-39.8	174.1	-61.3	169.3	0	0	0	111	W376 L436 F439 A440 V450 F452 A457 A458 L496	W376-I454 HydrophobicContact CE3-CG1 4.13Å; W376-I454 HydrophobicContact CH2-CD1 4.2Å; W376-I454 HydrophobicContact CH2-CG1 3.46Å; W376-I454 VanDerWaalsContact CH2-CG1 3.46Å; W376-I454 HydrophobicContact CZ2-CD1 4.48Å; W376-I454 HydrophobicContact CZ2-CG1 4.13Å; W376-I454 HydrophobicContact CZ3-CB 4.33Å; W376-I454 HydrophobicContact CZ3-CG1 3.46Å; W376-I454 VanDerWaalsContact CZ3-CG1 3.46Å; L436-I454 HydrophobicContact CB-CG2 4Å; L436-I454 HydrophobicContact CD2-CG2 4.24Å; F439-I454 HydrophobicContact CD1-CD1 4.1Å; A440-I454 HydrophobicContact CB-CD1 3.64Å; V450-I454 HydrophobicContact CB-CD1 4.47Å; V450-I454 HydrophobicContact CG2-CD1 3.8Å; V450-I454 VanDerWaalsContact O-CG1 3.3Å; V450-I454 WeakPolarHBondContact O-CG1 3.15Å; V450-I454 PolarHBondContact O-N 3.43Å; F452-I454 VanDerWaalsContact C-N 3.34Å; F452-I454 PolarHBondContact O-N 3.2Å; I454-A457 PolarHBondContact O-N 2.64Å; I454-A458 WeakPolarHBondContact O-CB 3.45Å; I454-A458 PolarHBondContact O-N 2.99Å; I454-L496 HydrophobicContact CB-CD1 3.98Å; I454-L496 HydrophobicContact CG2-CD1 3.38Å
455	A	96.1	Very high	91.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.3	-38.8	176.4	0	0	0	0	0	112.2	H451 F452 S459 R493 L497 N555	H451-A455 WeakPolarHBondContact O-CB 3.38Å; H451-A455 PolarHBondContact O-N 3.21Å; F452-A455 PolarHBondContact O-N 3.22Å; A455-S459 WeakPolarHBondContact O-CB 3.47Å; A455-S459 PolarHBondContact O-N 3.33Å; A455-R493 HydrophobicContact CB-CG 4.31Å; A455-L497 HydrophobicContact CB-CD2 3.64Å; A455-L497 HydrophobicContact CB-CG 4.08Å; A455-N555 PolarHBondContact O-ND2 3.29Å
456	N	95.4	Very high	92.3	Very high	2 Å²	2	35 Å²	35	1%	0.011	18%	0.179	C	C	.	.	H	α-helix	trans	-62.7	-47.6	171.9	-68	-15.7	0	0	0	111.2	K390 F452 E453 A458 S459 H460 R550 S552 N555	K390-N456 WeakPolarHBondContact CB-ND2 3.32Å; K390-N456 WeakPolarHBondContact O-CB 3.34Å; K390-N456 PolarHBondContact O-ND2 3.4Å; F452-N456 PolarHBondContact O-N 3.36Å; E453-N456 PolarHBondContact O-N 3.32Å; N456-A458 PolarHBondContact O-N 2.85Å; N456-S459 PolarHBondContact O-N 3.13Å; N456-H460 WeakPolarHBondContact O-CB 3.48Å; N456-H460 PolarHBondContact O-N 3.42Å; N456-R550 PolarHBondContact ND2-O 2.93Å; N456-S552 PolarHBondContact OD1-N 3.4Å; N456-S552 VanDerWaalsContact OD1-N 3.1Å; N456-N555 VanDerWaalsContact CA-ND2 3.33Å; N456-N555 WeakPolarHBondContact CA-ND2 3.49Å; N456-N555 PolarHBondContact N-ND2 3.34Å; N456-N555 PolarHBondContact OD1-ND2 3Å
457	A	95.4	Very high	92.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-55.8	-50.5	175.9	0	0	0	0	0	111.6	A395 L436 E453 I454 S459 H460 L461	A395-A457 HydrophobicContact CB-CB 3.88Å; L436-A457 HydrophobicContact CD2-CB 4.49Å; E453-A457 WeakPolarHBondContact O-CB 3.48Å; E453-A457 PolarHBondContact O-N 3.2Å; I454-A457 PolarHBondContact O-N 2.64Å; A457-S459 VanDerWaalsContact C-N 3.35Å; A457-S459 PolarHBondContact O-N 2.96Å; A457-H460 PolarHBondContact O-N 3.28Å; A457-L461 WeakPolarHBondContact O-CB 3.36Å; A457-L461 VanDerWaalsContact O-CG 3.24Å; A457-L461 WeakPolarHBondContact O-CG 3.49Å; A457-L461 PolarHBondContact O-N 3.43Å
458	A	97.2	Very high	93.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-42.5	178.6	0	0	0	0	0	112.2	I454 N456 S462 F489 L492 R493	I454-A458 WeakPolarHBondContact O-CB 3.45Å; I454-A458 PolarHBondContact O-N 2.99Å; N456-A458 PolarHBondContact O-N 2.85Å; A458-S462 WeakPolarHBondContact O-CB 3.37Å; A458-S462 PolarHBondContact O-N 3.02Å; A458-F489 HydrophobicContact CB-CD1 4.18Å; A458-L492 HydrophobicContact CB-CD2 4.25Å; A458-L492 HydrophobicContact CB-CG 4.41Å; A458-R493 HydrophobicContact CB-CB 4.22Å
459	S	95.9	Very high	94.3	Very high	19 Å²	19	28 Å²	28	13%	0.133	13%	0.133	C	C	.	.	H	α-helix	trans	-66	-40.2	177.4	-163.8	0	0	0	0	112.4	A455 N456 A457 H463	A455-S459 WeakPolarHBondContact O-CB 3.47Å; A455-S459 PolarHBondContact O-N 3.33Å; N456-S459 PolarHBondContact O-N 3.13Å; A457-S459 VanDerWaalsContact C-N 3.35Å; A457-S459 PolarHBondContact O-N 2.96Å; S459-H463 WeakPolarHBondContact O-CB 3.12Å; S459-H463 PolarHBondContact O-N 3.45Å
460	H	95.3	Very high	94.8	Very high	27 Å²	27	27.4 Å²	27.4	13%	0.125	13%	0.133	C	C	.	.	H	α-helix	trans	-67.5	-44.2	178.5	-177	66	0	0	0	111.4	V391 L399 N456 A457 S462 H463 V464	V391-H460 HydrophobicContact CG2-CB 4.31Å; L399-H460 WeakPolarHBondContact CD1-NE2 3.4Å; N456-H460 WeakPolarHBondContact O-CB 3.48Å; N456-H460 PolarHBondContact O-N 3.42Å; A457-H460 PolarHBondContact O-N 3.28Å; H460-S462 VanDerWaalsContact C-N 3.35Å; H460-S462 PolarHBondContact O-N 3.39Å; H460-H463 WeakPolarHBondContact O-CB 3.4Å; H460-H463 PolarHBondContact O-N 3.22Å; H460-V464 WeakPolarHBondContact O-CG2 3.37Å; H460-V464 PolarHBondContact O-N 3.22Å
461	L	97.1	Very high	94.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.6	-43.7	175.6	-68.9	173.2	0	0	0	111.8	F398 L399 F429 F432 L436 A457 H463 V464 L465 F489	F398-L461 HydrophobicContact CD1-CD2 4.24Å; L399-L461 HydrophobicContact CD1-CD2 4.08Å; L399-L461 HydrophobicContact CD2-CD2 3.66Å; L399-L461 HydrophobicContact CG-CD2 3.72Å; F429-L461 HydrophobicContact CE1-CD2 4.13Å; F432-L461 HydrophobicContact CD1-CD1 3.71Å; F432-L461 HydrophobicContact CE1-CD1 3.75Å; L436-L461 HydrophobicContact CD1-CD1 4.11Å; A457-L461 WeakPolarHBondContact O-CB 3.36Å; A457-L461 VanDerWaalsContact O-CG 3.24Å; A457-L461 WeakPolarHBondContact O-CG 3.49Å; A457-L461 PolarHBondContact O-N 3.43Å; L461-H463 VanDerWaalsContact C-N 3.35Å; L461-H463 PolarHBondContact O-N 2.99Å; L461-V464 PolarHBondContact O-N 3.39Å; L461-L465 WeakPolarHBondContact O-CB 3.44Å; L461-L465 VanDerWaalsContact O-CG 3.26Å; L461-L465 WeakPolarHBondContact O-CG 3.4Å; L461-L465 PolarHBondContact O-N 3.31Å; L461-F489 HydrophobicContact CB-CD1 4.25Å; L461-F489 HydrophobicContact CB-CD2 4.38Å; L461-F489 HydrophobicContact CB-CE1 4.2Å; L461-F489 HydrophobicContact CB-CE2 4.35Å; L461-F489 HydrophobicContact CB-CG 4.35Å; L461-F489 HydrophobicContact CB-CZ 4.26Å; L461-F489 HydrophobicContact CD1-CD1 4.2Å; L461-F489 HydrophobicContact CD1-CE1 3.53Å; L461-F489 HydrophobicContact CD1-CZ 3.81Å
462	S	97.5	Very high	94.8	Very high	7 Å²	7	32.7 Å²	32.7	5%	0.049	17%	0.166	C	C	.	.	H	α-helix	trans	-57.7	-46.8	173.7	170.9	0	0	0	0	111.7	A458 H460 L465 F466 E490	A458-S462 WeakPolarHBondContact O-CB 3.37Å; A458-S462 PolarHBondContact O-N 3.02Å; H460-S462 VanDerWaalsContact C-N 3.35Å; H460-S462 PolarHBondContact O-N 3.39Å; S462-L465 PolarHBondContact O-N 3.14Å; S462-F466 WeakPolarHBondContact O-CB 3.34Å; S462-F466 PolarHBondContact O-N 2.99Å; S462-E490 WeakPolarHBondContact OG-CG 3.3Å
463	H	95.5	Very high	94.7	Very high	77 Å²	77	34 Å²	34	36%	0.356	17%	0.173	S	C	.	.	H	α-helix	trans	-63.2	-44.8	178.8	-179.9	69.3	0	0	0	112.9	S459 H460 L461 F466 H467	S459-H463 WeakPolarHBondContact O-CB 3.12Å; S459-H463 PolarHBondContact O-N 3.45Å; H460-H463 WeakPolarHBondContact O-CB 3.4Å; H460-H463 PolarHBondContact O-N 3.22Å; L461-H463 VanDerWaalsContact C-N 3.35Å; L461-H463 PolarHBondContact O-N 2.99Å; H463-F466 WeakPolarHBondContact O-CB 3.49Å; H463-F466 PolarHBondContact O-N 3.04Å; H463-H467 AromaticContact CD2-CD2 3.97Å; H463-H467 AromaticContact CE1-CD2 3.43Å; H463-H467 PolarHBondContact CE1-CD2 2.73Å; H463-H467 VanDerWaalsContact CE1-CD2 3.43Å; H463-H467 AromaticContact CE1-NE2 2.98Å; H463-H467 PolarHBondContact CE1-NE2 2.73Å; H463-H467 AromaticContact ND1-CD2 3.87Å; H463-H467 AromaticContact ND1-NE2 3.66Å; H463-H467 AromaticContact NE2-CD2 3.48Å; H463-H467 PolarHBondContact NE2-CD2 2.82Å; H463-H467 AromaticContact NE2-NE2 3.42Å; H463-H467 PolarHBondContact NE2-NE2 3.24Å; H463-H467 PolarHBondContact O-CD2 3.05Å; H463-H467 VanDerWaalsContact O-CD2 3.24Å; H463-H467 PolarHBondContact O-N 2.87Å
464	V	95.6	Very high	94.8	Very high	22 Å²	22	32.9 Å²	32.9	13%	0.133	17%	0.168	C	C	.	.	H	α-helix	trans	-65.6	-43.5	178.7	172.4	0	0	0	0	111.1	L399 H460 L461 F466 H467 W468	L399-V464 HydrophobicContact CD1-CB 4.19Å; L399-V464 HydrophobicContact CD1-CG1 4.16Å; L399-V464 HydrophobicContact CD1-CG2 3.83Å; L399-V464 HydrophobicContact CD2-CB 4.34Å; L399-V464 HydrophobicContact CD2-CG1 3.83Å; H460-V464 WeakPolarHBondContact O-CG2 3.37Å; H460-V464 PolarHBondContact O-N 3.22Å; L461-V464 PolarHBondContact O-N 3.39Å; V464-F466 VanDerWaalsContact C-N 3.32Å; V464-F466 PolarHBondContact O-N 3Å; V464-H467 PolarHBondContact O-N 3.48Å; V464-H467 VanDerWaalsContact O-N 3.17Å; V464-W468 HydrophobicContact CG1-CD2 4.01Å; V464-W468 HydrophobicContact CG1-CG 4.18Å; V464-W468 HydrophobicContact CG1-CZ2 3.91Å; V464-W468 WeakPolarHBondContact O-CB 3.1Å; V464-W468 VanDerWaalsContact O-CD1 3.32Å; V464-W468 PolarHBondContact O-N 3.45Å
465	L	97.1	Very high	94.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-39.2	176.3	-73.8	176.8	0	0	0	112.4	F429 L461 S462 H467 W468 Q469 F482 L485 I486 F489	F429-L465 HydrophobicContact CD1-CD1 3.96Å; F429-L465 HydrophobicContact CD1-CD2 4.13Å; F429-L465 HydrophobicContact CD1-CG 4.33Å; F429-L465 HydrophobicContact CD2-CD2 4.03Å; F429-L465 HydrophobicContact CE1-CD1 4.22Å; F429-L465 HydrophobicContact CE1-CD2 3.79Å; F429-L465 HydrophobicContact CE1-CG 4.08Å; F429-L465 HydrophobicContact CE2-CD2 3.69Å; F429-L465 HydrophobicContact CG-CD1 4.33Å; F429-L465 HydrophobicContact CG-CD2 4.26Å; F429-L465 HydrophobicContact CZ-CD2 3.57Å; F429-L465 HydrophobicContact CZ-CG 4.33Å; L461-L465 WeakPolarHBondContact O-CB 3.44Å; L461-L465 VanDerWaalsContact O-CG 3.26Å; L461-L465 WeakPolarHBondContact O-CG 3.4Å; L461-L465 PolarHBondContact O-N 3.31Å; S462-L465 PolarHBondContact O-N 3.14Å; L465-H467 VanDerWaalsContact C-N 3.29Å; L465-H467 PolarHBondContact O-N 2.92Å; L465-W468 HydrophobicContact CD2-CE3 4.4Å; L465-W468 PolarHBondContact O-N 2.9Å; L465-Q469 PolarHBondContact O-N 3.22Å; L465-F482 HydrophobicContact CB-CB 4.22Å; L465-F482 HydrophobicContact CD2-CB 4.34Å; L465-F482 HydrophobicContact CD2-CD1 3.91Å; L465-F482 HydrophobicContact CD2-CD2 4.03Å; L465-F482 HydrophobicContact CD2-CE1 4.18Å; L465-F482 HydrophobicContact CD2-CE2 4.3Å; L465-F482 HydrophobicContact CD2-CG 3.84Å; L465-F482 HydrophobicContact CD2-CZ 4.37Å; L465-L485 HydrophobicContact CD1-CB 4.02Å; L465-I486 HydrophobicContact CB-CD1 4.28Å; L465-I486 HydrophobicContact CB-CG1 3.74Å; L465-F489 HydrophobicContact CD1-CD2 3.94Å; L465-F489 HydrophobicContact CD1-CE2 3.82Å
466	F	96	Very high	94.5	Very high	100 Å²	100	43 Å²	43	44%	0.439	22%	0.216	S	C	.	.	H	α-helix	trans	-59.5	-39	174.5	177.1	-94.7	0	0	0	112.2	S462 H463 V464 Q469 I486	S462-F466 WeakPolarHBondContact O-CB 3.34Å; S462-F466 PolarHBondContact O-N 2.99Å; H463-F466 WeakPolarHBondContact O-CB 3.49Å; H463-F466 PolarHBondContact O-N 3.04Å; V464-F466 VanDerWaalsContact C-N 3.32Å; V464-F466 PolarHBondContact O-N 3Å; F466-Q469 WeakPolarHBondContact O-CG 3.46Å; F466-I486 HydrophobicContact CB-CD1 4.05Å
467	H	94.4	Very high	94.4	Very high	87 Å²	87	43.6 Å²	43.6	40%	0.403	22%	0.219	S	C	.	.	H	α-helix	trans	-76.5	-37.2	174	-73.4	-58.4	0	0	0	112.8	H463 V464 L465 Q469 D470 H471	H463-H467 AromaticContact CD2-CD2 3.97Å; H463-H467 AromaticContact CE1-CD2 3.43Å; H463-H467 PolarHBondContact CE1-CD2 2.73Å; H463-H467 VanDerWaalsContact CE1-CD2 3.43Å; H463-H467 AromaticContact CE1-NE2 2.98Å; H463-H467 PolarHBondContact CE1-NE2 2.73Å; H463-H467 AromaticContact ND1-CD2 3.87Å; H463-H467 AromaticContact ND1-NE2 3.66Å; H463-H467 AromaticContact NE2-CD2 3.48Å; H463-H467 PolarHBondContact NE2-CD2 2.82Å; H463-H467 AromaticContact NE2-NE2 3.42Å; H463-H467 PolarHBondContact NE2-NE2 3.24Å; H463-H467 PolarHBondContact O-CD2 3.05Å; H463-H467 VanDerWaalsContact O-CD2 3.24Å; H463-H467 PolarHBondContact O-N 2.87Å; V464-H467 PolarHBondContact O-N 3.48Å; V464-H467 VanDerWaalsContact O-N 3.17Å; L465-H467 VanDerWaalsContact C-N 3.29Å; L465-H467 PolarHBondContact O-N 2.92Å; H467-Q469 PolarHBondContact O-N 3.44Å; H467-D470 PolarHBondContact O-N 2.98Å; H467-H471 PolarHBondContact O-CD2 3.22Å; H467-H471 VanDerWaalsContact O-CD2 3.27Å
468	W	94.3	Very high	94.3	Very high	34 Å²	34	47.6 Å²	47.6	13%	0.129	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-43.6	179.3	-79.7	15.7	0	0	0	112.6	L399 M402 S403 F429 V464 L465 D470 H471 Y474 F482	L399-W468 HydrophobicContact CD2-CH2 4.24Å; L399-W468 HydrophobicContact CD2-CZ2 4.42Å; M402-W468 HydrophobicContact CB-CH2 3.68Å; M402-W468 HydrophobicContact CB-CZ3 3.83Å; S403-W468 VanDerWaalsContact OG-CZ2 3.23Å; S403-W468 WeakPolarHBondContact OG-CZ2 3.28Å; F429-W468 HydrophobicContact CE2-CE3 4.48Å; F429-W468 AromaticContact CE2-CZ3 3.99Å; F429-W468 HydrophobicContact CE2-CZ3 3.99Å; F429-W468 HydrophobicContact CZ-CE3 4.33Å; F429-W468 HydrophobicContact CZ-CH2 4.41Å; F429-W468 AromaticContact CZ-CZ3 3.77Å; F429-W468 HydrophobicContact CZ-CZ3 3.77Å; V464-W468 HydrophobicContact CG1-CD2 4.01Å; V464-W468 HydrophobicContact CG1-CG 4.18Å; V464-W468 HydrophobicContact CG1-CZ2 3.91Å; V464-W468 WeakPolarHBondContact O-CB 3.1Å; V464-W468 VanDerWaalsContact O-CD1 3.32Å; V464-W468 PolarHBondContact O-N 3.45Å; L465-W468 HydrophobicContact CD2-CE3 4.4Å; L465-W468 PolarHBondContact O-N 2.9Å; W468-D470 PolarHBondContact O-N 3.42Å; W468-D470 VanDerWaalsContact O-N 3.11Å; W468-H471 WeakPolarHBondContact O-CB 3.24Å; W468-H471 PolarHBondContact O-N 3.45Å; W468-Y474 HydrophobicContact CB-CD2 4.42Å; W468-Y474 HydrophobicContact CB-CE2 4.11Å; W468-Y474 WeakPolarHBondContact O-CD2 3.43Å; W468-F482 HydrophobicContact CB-CE2 4.33Å
469	Q	92.6	Very high	94.1	Very high	21 Å²	21	54.6 Å²	54.6	10%	0.098	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.4	179.1	62.5	-179.3	25.9	0	0	114.1	L465 F466 H467 H471 M475 F482 D483	L465-Q469 PolarHBondContact O-N 3.22Å; F466-Q469 WeakPolarHBondContact O-CG 3.46Å; H467-Q469 PolarHBondContact O-N 3.44Å; Q469-H471 VanDerWaalsContact C-N 3.35Å; Q469-M475 WeakPolarHBondContact O-CG 3.38Å; Q469-F482 HydrophobicContact CB-CD2 4.16Å; Q469-D483 PolarHBondContact NE2-OD1 3.25Å; Q469-D483 PolarHBondContact OE1-OD1 3.05Å
470	D	90.3	Very high	94	Very high	94 Å²	94	54.7 Å²	54.7	50%	0.503	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.4	176.2	-71	-14.1	0	0	0	113.1	H467 W468 M475	H467-D470 PolarHBondContact O-N 2.98Å; W468-D470 PolarHBondContact O-N 3.42Å; W468-D470 VanDerWaalsContact O-N 3.11Å; D470-M475 WeakPolarHBondContact O-CE 3.35Å
471	H	92.1	Very high	94	Very high	106 Å²	106	54 Å²	54	49%	0.491	28%	0.275	S	S	.	.	S	Bend	trans	-70.9	143.7	171.8	-78.5	-95.1	0	0	0	111	H467 W468 Q469 I473 Y474 M475	H467-H471 PolarHBondContact O-CD2 3.22Å; H467-H471 VanDerWaalsContact O-CD2 3.27Å; W468-H471 WeakPolarHBondContact O-CB 3.24Å; W468-H471 PolarHBondContact O-N 3.45Å; Q469-H471 VanDerWaalsContact C-N 3.35Å; H471-I473 PolarHBondContact O-N 2.83Å; H471-Y474 HydrophobicContact CB-CD2 4.27Å; H471-Y474 PolarHBondContact O-N 3.37Å; H471-M475 PolarHBondContact O-N 3.44Å; H471-M475 VanDerWaalsContact O-N 3.13Å
472	A	90.2	Very high	94	Very high	55 Å²	55	54 Å²	54	46%	0.455	28%	0.275	S	S	.	.	H	α-helix	trans	-53.4	-30.9	-178.1	0	0	0	0	0	113.8	M475 Q476	A472-M475 HydrophobicContact CB-CE 4.49Å; A472-Q476 WeakPolarHBondContact O-CB 3.41Å; A472-Q476 WeakPolarHBondContact O-CG 3.47Å; A472-Q476 PolarHBondContact O-N 2.98Å; A472-Q476 VanDerWaalsContact O-N 3.16Å
473	I	92	Very high	94	Very high	36 Å²	36	57.5 Å²	57.5	19%	0.185	29%	0.293	C	S	.	.	H	α-helix	trans	-60	-54.4	177.1	-57.8	172.1	0	0	0	110.2	T406 F409 N410 H471 Q476 L477	T406-I473 HydrophobicContact CG2-CD1 4.15Å; F409-I473 HydrophobicContact CE2-CG2 4.09Å; N410-I473 HydrophobicContact CB-CD1 4.16Å; N410-I473 HydrophobicContact CB-CG2 4.49Å; H471-I473 PolarHBondContact O-N 2.83Å; I473-Q476 PolarHBondContact O-N 2.9Å; I473-L477 HydrophobicContact CG2-CD1 4.09Å; I473-L477 VanDerWaalsContact O-CG 3.28Å; I473-L477 WeakPolarHBondContact O-CG 3.47Å; I473-L477 PolarHBondContact O-N 3.42Å
474	Y	94.9	Very high	94.1	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.016	29%	0.293	C	S	.	.	H	α-helix	trans	-75.2	-37	-174.8	-62.8	-77.3	0	0	0	112.3	T406 F409 Q425 W468 H471 Q476 L477 E478 I481 F482	T406-Y474 HydrophobicContact CG2-CE2 4.35Å; T406-Y474 PolarHBondContact OG1-OH 3.22Å; F409-Y474 HydrophobicContact CZ-CE1 4.16Å; Q425-Y474 PolarHBondContact NE2-OH 3.48Å; Q425-Y474 VanDerWaalsContact OE1-CE1 3.31Å; Q425-Y474 PolarHBondContact OE1-OH 2.89Å; W468-Y474 HydrophobicContact CB-CD2 4.42Å; W468-Y474 HydrophobicContact CB-CE2 4.11Å; W468-Y474 WeakPolarHBondContact O-CD2 3.43Å; H471-Y474 HydrophobicContact CB-CD2 4.27Å; H471-Y474 PolarHBondContact O-N 3.37Å; Y474-Q476 PolarHBondContact O-N 3.06Å; Y474-L477 PolarHBondContact O-N 3.25Å; Y474-L477 VanDerWaalsContact O-N 3.1Å; Y474-E478 CarbonylContact O-C 3.58Å; Y474-E478 PolarHBondContact O-N 3.26Å; Y474-I481 HydrophobicContact CD1-CG2 4.24Å; Y474-F482 AromaticContact CD1-CE2 3.59Å; Y474-F482 HydrophobicContact CD1-CE2 3.59Å; Y474-F482 AromaticContact CD1-CZ 3.88Å; Y474-F482 HydrophobicContact CD1-CZ 3.88Å; Y474-F482 HydrophobicContact CD2-CE2 4.38Å; Y474-F482 AromaticContact CE1-CE2 3.55Å; Y474-F482 HydrophobicContact CE1-CE2 3.55Å; Y474-F482 AromaticContact CE1-CZ 3.51Å; Y474-F482 HydrophobicContact CE1-CZ 3.51Å; Y474-F482 HydrophobicContact CE2-CE2 4.33Å; Y474-F482 HydrophobicContact CG-CE2 4Å; Y474-F482 AromaticContact CZ-CE2 3.91Å
475	M	92.7	Very high	94.2	Very high	97 Å²	97	56.4 Å²	56.4	48%	0.478	29%	0.287	S	S	.	.	H	α-helix	trans	-58.8	-33.8	173.2	-69.4	-168.7	-69.4	0	0	113	Q469 D470 H471 A472	Q469-M475 WeakPolarHBondContact O-CG 3.38Å; D470-M475 WeakPolarHBondContact O-CE 3.35Å; H471-M475 PolarHBondContact O-N 3.44Å; H471-M475 VanDerWaalsContact O-N 3.13Å; A472-M475 HydrophobicContact CB-CE 4.49Å
476	Q	92.3	Very high	94.3	Very high	116 Å²	116	57.1 Å²	57.1	54%	0.542	29%	0.29	S	S	.	.	H	α-helix	trans	-74.4	-35.2	176	-74.5	170.1	22.2	0	0	112.6	F415 A472 I473 Y474	F415-Q476 VanDerWaalsContact CE2-O 3.25Å; F415-Q476 WeakPolarHBondContact CE2-O 3.3Å; F415-Q476 WeakPolarHBondContact CZ-O 3.31Å; A472-Q476 WeakPolarHBondContact O-CB 3.41Å; A472-Q476 WeakPolarHBondContact O-CG 3.47Å; A472-Q476 PolarHBondContact O-N 2.98Å; A472-Q476 VanDerWaalsContact O-N 3.16Å; I473-Q476 PolarHBondContact O-N 2.9Å; Y474-Q476 PolarHBondContact O-N 3.06Å
477	L	93.3	Very high	94.4	Very high	13 Å²	13	59.2 Å²	59.2	7%	0.068	30%	0.295	C	S	.	.	H	α-helix	trans	-78.6	-58.6	-177.1	-65.6	172.9	0	0	0	111.4	F409 F415 R418 I419 A422 I473 Y474	F409-L477 HydrophobicContact CE2-CD1 3.91Å; F415-L477 HydrophobicContact CD2-CD2 4.04Å; F415-L477 HydrophobicContact CE2-CD2 3.84Å; R418-L477 HydrophobicContact CB-CD1 4.32Å; R418-L477 HydrophobicContact CB-CD2 3.46Å; R418-L477 VanDerWaalsContact CB-CD2 3.46Å; I419-L477 HydrophobicContact CG1-CB 4.2Å; I419-L477 HydrophobicContact CG1-CD2 3.82Å; A422-L477 HydrophobicContact CB-CD1 4.04Å; I473-L477 HydrophobicContact CG2-CD1 4.09Å; I473-L477 VanDerWaalsContact O-CG 3.28Å; I473-L477 WeakPolarHBondContact O-CG 3.47Å; I473-L477 PolarHBondContact O-N 3.42Å; Y474-L477 PolarHBondContact O-N 3.25Å; Y474-L477 VanDerWaalsContact O-N 3.1Å
478	E	93.5	Very high	94.6	Very high	85 Å²	85	57.3 Å²	57.3	40%	0.397	29%	0.286	S	S	.	.			trans	-162.2	115.7	-179.2	-175.5	172.7	178.3	0	0	110.5	H423 Y474 G480 I481	H423-E478 IonicContact CE1-OE2 2.64Å; H423-E478 PolarHBondContact CE1-OE2 3.45Å; H423-E478 IonicContact NE2-OE2 3.02Å; Y474-E478 CarbonylContact O-C 3.58Å; Y474-E478 PolarHBondContact O-N 3.26Å; E478-G480 PolarHBondContact O-N 2.92Å; E478-I481 HydrophobicContact CB-CB 4.16Å; E478-I481 HydrophobicContact CB-CD1 4.37Å; E478-I481 HydrophobicContact CG-CB 4.3Å; E478-I481 PolarHBondContact O-N 3.23Å
479	I	93.2	Very high	94.8	Very high	147 Å²	147	55.7 Å²	55.7	75%	0.754	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	128	179.8	-59.9	172	0	0	0	109.5	I481	I479-I481 VanDerWaalsContact C-N 3.32Å; I479-I481 PolarHBondContact O-N 2.9Å
480	G	94	Very high	95	Very high	21 Å²	21	58.2 Å²	58.2	22%	0.216	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	20.3	176.7	0	0	0	0	0	114.2	E478 F482 D483	E478-G480 PolarHBondContact O-N 2.92Å; G480-F482 PolarHBondContact O-N 3.41Å; G480-D483 WeakPolarHBondContact O-CB 3.36Å; G480-D483 PolarHBondContact O-N 3.36Å
481	I	95.5	Very high	95.4	Very high	13 Å²	13	55.8 Å²	55.8	7%	0.067	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-27.8	179.7	-169.6	169.9	0	0	0	113.3	A422 Y426 Y474 E478 I479	A422-I481 HydrophobicContact CB-CD1 3.97Å; Y426-I481 HydrophobicContact CD2-CG1 4.41Å; Y426-I481 WeakPolarHBondContact CD2-O 3.27Å; Y426-I481 WeakPolarHBondContact CE2-O 3.18Å; Y474-I481 HydrophobicContact CD1-CG2 4.24Å; E478-I481 HydrophobicContact CB-CB 4.16Å; E478-I481 HydrophobicContact CB-CD1 4.37Å; E478-I481 HydrophobicContact CG-CB 4.3Å; E478-I481 PolarHBondContact O-N 3.23Å; I479-I481 VanDerWaalsContact C-N 3.32Å; I479-I481 PolarHBondContact O-N 2.9Å
482	F	97.5	Very high	95.6	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	0.6	-178.6	-58.1	-53.4	0	0	0	114.9	Y426 L465 W468 Q469 Y474 G480 E484 L485 I486	Y426-F482 HydrophobicContact CD2-CD1 4.15Å; L465-F482 HydrophobicContact CB-CB 4.22Å; L465-F482 HydrophobicContact CD2-CB 4.34Å; L465-F482 HydrophobicContact CD2-CD1 3.91Å; L465-F482 HydrophobicContact CD2-CD2 4.03Å; L465-F482 HydrophobicContact CD2-CE1 4.18Å; L465-F482 HydrophobicContact CD2-CE2 4.3Å; L465-F482 HydrophobicContact CD2-CG 3.84Å; L465-F482 HydrophobicContact CD2-CZ 4.37Å; W468-F482 HydrophobicContact CB-CE2 4.33Å; Q469-F482 HydrophobicContact CB-CD2 4.16Å; Y474-F482 AromaticContact CD1-CE2 3.59Å; Y474-F482 HydrophobicContact CD1-CE2 3.59Å; Y474-F482 AromaticContact CD1-CZ 3.88Å; Y474-F482 HydrophobicContact CD1-CZ 3.88Å; Y474-F482 HydrophobicContact CD2-CE2 4.38Å; Y474-F482 AromaticContact CE1-CE2 3.55Å; Y474-F482 HydrophobicContact CE1-CE2 3.55Å; Y474-F482 AromaticContact CE1-CZ 3.51Å; Y474-F482 HydrophobicContact CE1-CZ 3.51Å; Y474-F482 HydrophobicContact CE2-CE2 4.33Å; Y474-F482 HydrophobicContact CG-CE2 4Å; Y474-F482 AromaticContact CZ-CE2 3.91Å; G480-F482 PolarHBondContact O-N 3.41Å; F482-E484 VanDerWaalsContact C-N 3.29Å; F482-E484 PolarHBondContact O-N 3.29Å; F482-L485 HydrophobicContact CD1-CD1 4.1Å; F482-L485 PolarHBondContact O-N 2.93Å; F482-I486 HydrophobicContact CB-CD1 4.19Å; F482-I486 HydrophobicContact CB-CG1 4.4Å; F482-I486 VanDerWaalsContact O-CG1 3.28Å; F482-I486 WeakPolarHBondContact O-CG1 3.17Å; F482-I486 PolarHBondContact O-N 3.01Å
483	D	97.4	Very high	96	Very high	80 Å²	80	49.7 Å²	49.7	43%	0.428	24%	0.244	S	C	.	.	H	α-helix	trans	-55.3	-42	-174.1	-82	-21.6	0	0	0	113.1	Q469 G480 R487	Q469-D483 PolarHBondContact NE2-OD1 3.25Å; Q469-D483 PolarHBondContact OE1-OD1 3.05Å; G480-D483 WeakPolarHBondContact O-CB 3.36Å; G480-D483 PolarHBondContact O-N 3.36Å; D483-R487 PolarHBondContact O-N 3.18Å
484	E	97.4	Very high	96.2	Very high	76 Å²	76	51.2 Å²	51.2	36%	0.355	25%	0.252	S	S	.	.	H	α-helix	trans	-71.3	-40.5	178.9	-179.1	56.4	-156.9	0	0	111.7	F482 R487 Q488	F482-E484 VanDerWaalsContact C-N 3.29Å; F482-E484 PolarHBondContact O-N 3.29Å; E484-R487 PolarHBondContact O-N 2.89Å; E484-R487 IonicContact OE2-CZ 3.75Å; E484-R487 IonicContact OE2-NH1 3.3Å; E484-R487 PolarHBondContact OE2-NH1 3.48Å; E484-Q488 HydrophobicContact CG-CG 4.39Å; E484-Q488 WeakPolarHBondContact O-CB 3.28Å; E484-Q488 WeakPolarHBondContact O-CG 3.41Å; E484-Q488 PolarHBondContact O-N 2.91Å; E484-Q488 PolarHBondContact O-OE1 2.73Å; E484-Q488 VanDerWaalsContact OE1-CD 3.28Å; E484-Q488 WeakPolarHBondContact OE1-CG 3.43Å; E484-Q488 PolarHBondContact OE1-NE2 3.49Å
485	L	97.7	Very high	96.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-43.1	175.6	-81.6	170.9	0	0	0	111.9	Y426 F429 D430 L465 F482 R487 Q488 F489	Y426-L485 HydrophobicContact CD1-CD1 4.09Å; Y426-L485 HydrophobicContact CD2-CD1 3.35Å; Y426-L485 HydrophobicContact CD2-CG 4.01Å; Y426-L485 HydrophobicContact CE1-CD1 4.14Å; Y426-L485 HydrophobicContact CE1-CG 4.14Å; Y426-L485 HydrophobicContact CE2-CB 4.38Å; Y426-L485 HydrophobicContact CE2-CD1 3.45Å; Y426-L485 VanDerWaalsContact CE2-CD1 3.45Å; Y426-L485 HydrophobicContact CE2-CG 3.53Å; Y426-L485 HydrophobicContact CG-CD1 3.68Å; Y426-L485 HydrophobicContact CG-CG 4.5Å; F429-L485 HydrophobicContact CB-CD1 3.62Å; F429-L485 HydrophobicContact CB-CD2 4.25Å; F429-L485 HydrophobicContact CG-CD1 4.43Å; D430-L485 HydrophobicContact CB-CD2 4.02Å; L465-L485 HydrophobicContact CD1-CB 4.02Å; F482-L485 HydrophobicContact CD1-CD1 4.1Å; F482-L485 PolarHBondContact O-N 2.93Å; L485-R487 VanDerWaalsContact C-N 3.33Å; L485-R487 PolarHBondContact O-N 3.42Å; L485-Q488 PolarHBondContact O-N 3.49Å; L485-Q488 VanDerWaalsContact O-N 3.13Å; L485-F489 HydrophobicContact CB-CD2 4.46Å; L485-F489 HydrophobicContact CB-CE2 4.48Å; L485-F489 HydrophobicContact CD2-CE2 4.3Å; L485-F489 WeakPolarHBondContact O-CD2 3.26Å; L485-F489 PolarHBondContact O-N 2.93Å
486	I	98.3	Very high	96.4	Very high	14 Å²	14	53.2 Å²	53.2	7%	0.072	26%	0.259	C	S	.	.	H	α-helix	trans	-54.6	-52.6	176.2	-69.1	164	0	0	0	109.3	L465 F466 F482 Q488 F489 E490	L465-I486 HydrophobicContact CB-CD1 4.28Å; L465-I486 HydrophobicContact CB-CG1 3.74Å; F466-I486 HydrophobicContact CB-CD1 4.05Å; F482-I486 HydrophobicContact CB-CD1 4.19Å; F482-I486 HydrophobicContact CB-CG1 4.4Å; F482-I486 VanDerWaalsContact O-CG1 3.28Å; F482-I486 WeakPolarHBondContact O-CG1 3.17Å; F482-I486 PolarHBondContact O-N 3.01Å; I486-Q488 VanDerWaalsContact C-N 3.3Å; I486-Q488 PolarHBondContact O-N 3.4Å; I486-F489 PolarHBondContact O-N 3.45Å; I486-E490 WeakPolarHBondContact O-CG 3.41Å; I486-E490 PolarHBondContact O-N 2.78Å
487	R	98.3	Very high	96.6	Very high	144 Å²	144	47.7 Å²	47.7	54%	0.543	23%	0.233	S	C	.	.	H	α-helix	trans	-59.5	-39.1	177.5	-175.5	-175	-62.2	124.6	7.4	112.5	D483 E484 L485 S491	D483-R487 PolarHBondContact O-N 3.18Å; E484-R487 PolarHBondContact O-N 2.89Å; E484-R487 IonicContact OE2-CZ 3.75Å; E484-R487 IonicContact OE2-NH1 3.3Å; E484-R487 PolarHBondContact OE2-NH1 3.48Å; L485-R487 VanDerWaalsContact C-N 3.33Å; L485-R487 PolarHBondContact O-N 3.42Å; R487-S491 WeakPolarHBondContact O-CB 3.42Å; R487-S491 PolarHBondContact O-N 3.35Å
488	Q	98.3	Very high	96.7	Very high	47 Å²	47	49.5 Å²	49.5	22%	0.22	25%	0.247	C	C	.	.	H	α-helix	trans	-71.7	-38.4	-178.9	-72.2	165.1	-18.1	0	0	112.5	E484 L485 I486 S491 L492	E484-Q488 HydrophobicContact CG-CG 4.39Å; E484-Q488 WeakPolarHBondContact O-CB 3.28Å; E484-Q488 WeakPolarHBondContact O-CG 3.41Å; E484-Q488 PolarHBondContact O-N 2.91Å; E484-Q488 PolarHBondContact O-OE1 2.73Å; E484-Q488 VanDerWaalsContact OE1-CD 3.28Å; E484-Q488 WeakPolarHBondContact OE1-CG 3.43Å; E484-Q488 PolarHBondContact OE1-NE2 3.49Å; L485-Q488 PolarHBondContact O-N 3.49Å; L485-Q488 VanDerWaalsContact O-N 3.13Å; I486-Q488 VanDerWaalsContact C-N 3.3Å; I486-Q488 PolarHBondContact O-N 3.4Å; Q488-S491 PolarHBondContact O-N 3.45Å; Q488-L492 WeakPolarHBondContact O-CB 3.41Å; Q488-L492 PolarHBondContact O-N 3.37Å
489	F	98.4	Very high	96.7	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.3	-41.8	172.5	-81.8	-64.8	0	0	0	111.7	F429 R433 L436 A458 L461 L465 L485 I486 S491 L492 R493	F429-F489 HydrophobicContact CB-CE2 4.39Å; F429-F489 HydrophobicContact CD1-CE2 4.21Å; F429-F489 HydrophobicContact CD1-CZ 4.36Å; R433-F489 HydrophobicContact CB-CD1 4.27Å; R433-F489 HydrophobicContact CB-CE1 3.57Å; R433-F489 HydrophobicContact CB-CZ 3.71Å; R433-F489 HydrophobicContact CG-CD1 4Å; R433-F489 HydrophobicContact CG-CE1 3.81Å; R433-F489 HydrophobicContact CG-CZ 4.31Å; L436-F489 HydrophobicContact CD1-CE1 4.02Å; A458-F489 HydrophobicContact CB-CD1 4.18Å; L461-F489 HydrophobicContact CB-CD1 4.25Å; L461-F489 HydrophobicContact CB-CD2 4.38Å; L461-F489 HydrophobicContact CB-CE1 4.2Å; L461-F489 HydrophobicContact CB-CE2 4.35Å; L461-F489 HydrophobicContact CB-CG 4.35Å; L461-F489 HydrophobicContact CB-CZ 4.26Å; L461-F489 HydrophobicContact CD1-CD1 4.2Å; L461-F489 HydrophobicContact CD1-CE1 3.53Å; L461-F489 HydrophobicContact CD1-CZ 3.81Å; L465-F489 HydrophobicContact CD1-CD2 3.94Å; L465-F489 HydrophobicContact CD1-CE2 3.82Å; L485-F489 HydrophobicContact CB-CD2 4.46Å; L485-F489 HydrophobicContact CB-CE2 4.48Å; L485-F489 HydrophobicContact CD2-CE2 4.3Å; L485-F489 WeakPolarHBondContact O-CD2 3.26Å; L485-F489 PolarHBondContact O-N 2.93Å; I486-F489 PolarHBondContact O-N 3.45Å; F489-S491 VanDerWaalsContact C-N 3.35Å; F489-S491 PolarHBondContact O-N 2.85Å; F489-L492 PolarHBondContact O-N 3.3Å; F489-R493 PolarHBondContact O-N 2.66Å
490	E	97.9	Very high	96.8	Very high	75 Å²	75	42 Å²	42	35%	0.35	22%	0.219	S	C	.	.	H	α-helix	trans	-60.6	-44.2	172.4	-69.9	-179	143.8	0	0	111.7	S462 I486 L492 R493 D494	S462-E490 WeakPolarHBondContact OG-CG 3.3Å; I486-E490 WeakPolarHBondContact O-CG 3.41Å; I486-E490 PolarHBondContact O-N 2.78Å; E490-L492 VanDerWaalsContact C-N 3.33Å; E490-L492 PolarHBondContact O-N 2.93Å; E490-R493 WeakPolarHBondContact O-CB 3.43Å; E490-R493 PolarHBondContact O-N 2.97Å; E490-D494 VanDerWaalsContact O-CG 3.24Å; E490-D494 PolarHBondContact O-N 3.44Å
491	S	97.9	Very high	96.8	Very high	43 Å²	43	41 Å²	41	30%	0.301	21%	0.209	S	C	.	.	H	α-helix	trans	-61.8	-40	175.7	-174.6	0	0	0	0	112.3	R487 Q488 F489 K495	R487-S491 WeakPolarHBondContact O-CB 3.42Å; R487-S491 PolarHBondContact O-N 3.35Å; Q488-S491 PolarHBondContact O-N 3.45Å; F489-S491 VanDerWaalsContact C-N 3.35Å; F489-S491 PolarHBondContact O-N 2.85Å; S491-K495 WeakPolarHBondContact O-CB 3.46Å; S491-K495 WeakPolarHBondContact O-CD 3.3Å; S491-K495 WeakPolarHBondContact O-CG 3.41Å; S491-K495 PolarHBondContact O-N 3.34Å; S491-K495 WeakPolarHBondContact OG-CE 3.45Å; S491-K495 PolarHBondContact OG-NZ 3.37Å; S491-K495 VanDerWaalsContact OG-NZ 3.07Å
492	L	97.7	Very high	96.8	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-49.9	175.4	174.4	61.3	0	0	0	110.6	R433 L436 M437 A458 Q488 F489 E490 D494 K495 L496	R433-L492 HydrophobicContact CG-CD2 3.9Å; L436-L492 HydrophobicContact CB-CD2 3.91Å; L436-L492 HydrophobicContact CD1-CD2 4.19Å; M437-L492 HydrophobicContact CB-CD1 4.04Å; M437-L492 HydrophobicContact CE-CD1 3.95Å; M437-L492 HydrophobicContact CG-CD1 4.15Å; A458-L492 HydrophobicContact CB-CD2 4.25Å; A458-L492 HydrophobicContact CB-CG 4.41Å; Q488-L492 WeakPolarHBondContact O-CB 3.41Å; Q488-L492 PolarHBondContact O-N 3.37Å; F489-L492 PolarHBondContact O-N 3.3Å; E490-L492 VanDerWaalsContact C-N 3.33Å; E490-L492 PolarHBondContact O-N 2.93Å; L492-D494 PolarHBondContact O-N 3.04Å; L492-K495 PolarHBondContact O-N 2.74Å; L492-L496 HydrophobicContact CD1-CD1 3.84Å; L492-L496 HydrophobicContact CD1-CG 4.08Å; L492-L496 HydrophobicContact CG-CD1 3.93Å; L492-L496 VanDerWaalsContact O-CG 3.27Å; L492-L496 WeakPolarHBondContact O-CG 3.1Å; L492-L496 PolarHBondContact O-N 3.33Å
493	R	97	Very high	96.5	Very high	28 Å²	28	45.3 Å²	45.3	11%	0.106	24%	0.243	C	C	.	.	H	α-helix	trans	-51.5	-55	174.5	173.4	-156.8	63.5	-149.4	-3	110.6	A455 A458 F489 E490 K495 L496 L497 N555	A455-R493 HydrophobicContact CB-CG 4.31Å; A458-R493 HydrophobicContact CB-CB 4.22Å; F489-R493 PolarHBondContact O-N 2.66Å; E490-R493 WeakPolarHBondContact O-CB 3.43Å; E490-R493 PolarHBondContact O-N 2.97Å; R493-K495 VanDerWaalsContact C-N 3.33Å; R493-K495 PolarHBondContact O-N 3.26Å; R493-L496 PolarHBondContact O-N 3.5Å; R493-L496 VanDerWaalsContact O-N 3.14Å; R493-L497 HydrophobicContact CG-CD1 4Å; R493-L497 HydrophobicContact CG-CG 4.4Å; R493-L497 WeakPolarHBondContact O-CG 3.4Å; R493-L497 PolarHBondContact O-N 3.43Å; R493-N555 WeakPolarHBondContact CD-OD1 3.5Å
494	D	97.3	Very high	96.3	Very high	68 Å²	68	43.6 Å²	43.6	36%	0.364	23%	0.232	S	C	.	.	H	α-helix	trans	-62.6	-40.1	-174.5	-66.7	-12.1	0	0	0	112	E490 L492 C498	E490-D494 VanDerWaalsContact O-CG 3.24Å; E490-D494 PolarHBondContact O-N 3.44Å; L492-D494 PolarHBondContact O-N 3.04Å; D494-C498 WeakPolarHBondContact O-CB 3.44Å; D494-C498 PolarHBondContact O-N 3.26Å
495	K	96.2	Very high	96.2	Very high	128 Å²	128	40.1 Å²	40.1	56%	0.557	22%	0.216	S	C	*	.	H	α-helix	trans	-62.2	-42.8	175.2	-76.1	167.5	-177.7	157.4	0	112.1	S491 L492 R493 A499	S491-K495 WeakPolarHBondContact O-CB 3.46Å; S491-K495 WeakPolarHBondContact O-CD 3.3Å; S491-K495 WeakPolarHBondContact O-CG 3.41Å; S491-K495 PolarHBondContact O-N 3.34Å; S491-K495 WeakPolarHBondContact OG-CE 3.45Å; S491-K495 PolarHBondContact OG-NZ 3.37Å; S491-K495 VanDerWaalsContact OG-NZ 3.07Å; L492-K495 PolarHBondContact O-N 2.74Å; R493-K495 VanDerWaalsContact C-N 3.33Å; R493-K495 PolarHBondContact O-N 3.26Å; K495-A499 VanDerWaalsContact O-CB 3.29Å; K495-A499 WeakPolarHBondContact O-CB 3.45Å; K495-A499 PolarHBondContact O-N 3.15Å
496	L	95.8	Very high	96	Very high	14 Å²	14	44.6 Å²	44.6	7%	0.073	24%	0.237	C	C	.	.	H	α-helix	trans	-67.2	-47.2	179.7	-68.3	168.5	0	0	0	111.4	A440 I454 L492 R493 C498 A499 V500	A440-L496 HydrophobicContact CB-CD2 3.5Å; I454-L496 HydrophobicContact CB-CD1 3.98Å; I454-L496 HydrophobicContact CG2-CD1 3.38Å; L492-L496 HydrophobicContact CD1-CD1 3.84Å; L492-L496 HydrophobicContact CD1-CG 4.08Å; L492-L496 HydrophobicContact CG-CD1 3.93Å; L492-L496 VanDerWaalsContact O-CG 3.27Å; L492-L496 WeakPolarHBondContact O-CG 3.1Å; L492-L496 PolarHBondContact O-N 3.33Å; R493-L496 PolarHBondContact O-N 3.5Å; R493-L496 VanDerWaalsContact O-N 3.14Å; L496-C498 VanDerWaalsContact C-N 3.31Å; L496-C498 PolarHBondContact O-N 3.16Å; L496-A499 PolarHBondContact O-N 3.35Å; L496-V500 WeakPolarHBondContact O-CG2 3.35Å; L496-V500 PolarHBondContact O-N 2.92Å
497	L	96.3	Very high	95.8	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-42	177.9	-63.9	-176.9	0	0	0	111.2	F452 A455 R493 A501 L551 N555 I558 W559	F452-L497 HydrophobicContact CD1-CD2 4.35Å; A455-L497 HydrophobicContact CB-CD2 3.64Å; A455-L497 HydrophobicContact CB-CG 4.08Å; R493-L497 HydrophobicContact CG-CD1 4Å; R493-L497 HydrophobicContact CG-CG 4.4Å; R493-L497 WeakPolarHBondContact O-CG 3.4Å; R493-L497 PolarHBondContact O-N 3.43Å; L497-A501 WeakPolarHBondContact O-CB 3.27Å; L497-A501 PolarHBondContact O-N 2.75Å; L497-L551 HydrophobicContact CD2-CD1 4.15Å; L497-L551 HydrophobicContact CD2-CD2 3.89Å; L497-N555 HydrophobicContact CD1-CB 4.32Å; L497-I558 HydrophobicContact CD1-CB 4.07Å; L497-I558 HydrophobicContact CD1-CG2 3.82Å; L497-W559 HydrophobicContact CB-CB 4.31Å; L497-W559 HydrophobicContact CD1-CB 4.22Å; L497-W559 HydrophobicContact CD2-CB 4.11Å; L497-W559 HydrophobicContact CD2-CG 4.49Å; L497-W559 HydrophobicContact CG-CB 4.43Å
498	C	96	Very high	95.6	Very high	51 Å²	51	43.4 Å²	43.4	35%	0.345	24%	0.238	S	C	.	.	H	α-helix	trans	-63.1	-46.3	175.5	-172.4	0	0	0	0	112.2	D494 L496 V500 A501 S502 V562	D494-C498 WeakPolarHBondContact O-CB 3.44Å; D494-C498 PolarHBondContact O-N 3.26Å; L496-C498 VanDerWaalsContact C-N 3.31Å; L496-C498 PolarHBondContact O-N 3.16Å; C498-V500 PolarHBondContact O-N 3.49Å; C498-A501 PolarHBondContact O-N 3.38Å; C498-S502 PolarHBondContact O-N 3.21Å; C498-S502 PolarHBondContact O-OG 3.38Å; C498-V562 HydrophobicContact CB-CG1 4.29Å
499	A	93.4	Very high	95.4	Very high	54 Å²	54	41.4 Å²	41.4	45%	0.446	23%	0.228	S	C	.	.	H	α-helix	trans	-59.8	-43.8	178.9	0	0	0	0	0	112.3	K495 L496 A503	K495-A499 VanDerWaalsContact O-CB 3.29Å; K495-A499 WeakPolarHBondContact O-CB 3.45Å; K495-A499 PolarHBondContact O-N 3.15Å; L496-A499 PolarHBondContact O-N 3.35Å; A499-A503 VanDerWaalsContact O-CB 3.26Å; A499-A503 WeakPolarHBondContact O-CB 3.42Å; A499-A503 PolarHBondContact O-N 2.89Å
500	V	93.6	Very high	95.1	Very high	21 Å²	21	46.1 Å²	46.1	13%	0.127	25%	0.25	C	S	.	.	H	α-helix	trans	-64.7	-46.4	177.1	176.4	0	0	0	0	110.9	H451 F452 L496 C498 A503 K504	H451-V500 HydrophobicContact CB-CG2 3.37Å; F452-V500 HydrophobicContact CE1-CB 4.28Å; F452-V500 HydrophobicContact CE1-CG1 3.68Å; F452-V500 HydrophobicContact CE1-CG2 4.49Å; F452-V500 HydrophobicContact CZ-CG1 3.83Å; L496-V500 WeakPolarHBondContact O-CG2 3.35Å; L496-V500 PolarHBondContact O-N 2.92Å; C498-V500 PolarHBondContact O-N 3.49Å; V500-A503 PolarHBondContact O-N 3.41Å; V500-K504 HydrophobicContact CG1-CG 4.39Å; V500-K504 WeakPolarHBondContact O-CB 3.33Å; V500-K504 VanDerWaalsContact O-CG 3.3Å; V500-K504 WeakPolarHBondContact O-CG 3.41Å; V500-K504 PolarHBondContact O-N 2.89Å
501	A	95	Very high	95	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-58.5	-54.3	177.6	0	0	0	0	0	111.2	L497 C498 A503 K504 V505 V562 L563	L497-A501 WeakPolarHBondContact O-CB 3.27Å; L497-A501 PolarHBondContact O-N 2.75Å; C498-A501 PolarHBondContact O-N 3.38Å; A501-A503 VanDerWaalsContact C-N 3.34Å; A501-A503 PolarHBondContact O-N 3.25Å; A501-K504 PolarHBondContact O-N 2.69Å; A501-V505 VanDerWaalsContact O-CG2 3.3Å; A501-V505 WeakPolarHBondContact O-CG2 3.35Å; A501-V505 PolarHBondContact O-N 3.02Å; A501-V562 HydrophobicContact CB-CB 4.45Å; A501-V562 HydrophobicContact CB-CG1 3.92Å; A501-L563 HydrophobicContact CB-CB 4.34Å; A501-L563 HydrophobicContact CB-CD1 4.33Å
502	S	94.8	Very high	94.8	Very high	38 Å²	38	42.8 Å²	42.8	27%	0.266	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-38.6	-179	-64.2	0	0	0	0	112.9	C498 H506 E566	C498-S502 PolarHBondContact O-N 3.21Å; C498-S502 PolarHBondContact O-OG 3.38Å; S502-H506 WeakPolarHBondContact O-CB 3.47Å; S502-H506 PolarHBondContact O-N 2.7Å; S502-E566 PolarHBondContact OG-OE2 2.84Å
503	A	92.3	Very high	94.6	Very high	64 Å²	64	47.3 Å²	47.3	53%	0.529	25%	0.252	S	S	.	.	H	α-helix	trans	-63.7	-45.6	176.6	0	0	0	0	0	111.9	A499 V500 A501 H506 Q507	A499-A503 VanDerWaalsContact O-CB 3.26Å; A499-A503 WeakPolarHBondContact O-CB 3.42Å; A499-A503 PolarHBondContact O-N 2.89Å; V500-A503 PolarHBondContact O-N 3.41Å; A501-A503 VanDerWaalsContact C-N 3.34Å; A501-A503 PolarHBondContact O-N 3.25Å; A503-H506 WeakPolarHBondContact O-CB 3.46Å; A503-H506 PolarHBondContact O-N 3.48Å; A503-Q507 PolarHBondContact O-N 2.67Å; A503-Q507 VanDerWaalsContact O-N 3.15Å
504	K	93.2	Very high	94.4	Very high	44 Å²	44	50.1 Å²	50.1	19%	0.191	27%	0.269	C	S	.	.	H	α-helix	trans	-65.7	-44.4	177.4	-71.4	-69.7	-172.3	170.9	0	111.8	V500 A501 H506 Q507 L508 M543	V500-K504 HydrophobicContact CG1-CG 4.39Å; V500-K504 WeakPolarHBondContact O-CB 3.33Å; V500-K504 VanDerWaalsContact O-CG 3.3Å; V500-K504 WeakPolarHBondContact O-CG 3.41Å; V500-K504 PolarHBondContact O-N 2.89Å; A501-K504 PolarHBondContact O-N 2.69Å; K504-H506 VanDerWaalsContact C-N 3.3Å; K504-H506 PolarHBondContact O-N 3.24Å; K504-Q507 WeakPolarHBondContact O-CB 3.39Å; K504-Q507 PolarHBondContact O-N 3.49Å; K504-L508 WeakPolarHBondContact O-CG 3.29Å; K504-L508 PolarHBondContact O-N 2.76Å; K504-M543 HydrophobicContact CB-CE 3.53Å; K504-M543 HydrophobicContact CB-SD 3.67Å; K504-M543 HydrophobicContact CD-CE 4.09Å; K504-M543 HydrophobicContact CD-CG 4.42Å; K504-M543 HydrophobicContact CD-SD 4.34Å; K504-M543 HydrophobicContact CG-CE 4.02Å; K504-M543 HydrophobicContact CG-CG 4.38Å; K504-M543 HydrophobicContact CG-SD 3.85Å
505	V	95.4	Very high	94.2	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-61.4	-39.6	176.4	172.5	0	0	0	0	111.8	A501 L508 T509 L563 E566 C567 A570	A501-V505 VanDerWaalsContact O-CG2 3.3Å; A501-V505 WeakPolarHBondContact O-CG2 3.35Å; A501-V505 PolarHBondContact O-N 3.02Å; V505-L508 PolarHBondContact O-N 3.31Å; V505-T509 WeakPolarHBondContact O-CB 3.31Å; V505-T509 PolarHBondContact O-N 2.86Å; V505-T509 PolarHBondContact O-OG1 3.29Å; V505-L563 HydrophobicContact CG2-CD1 3.61Å; V505-E566 HydrophobicContact CB-CB 4.33Å; V505-E566 HydrophobicContact CG1-CB 4.38Å; V505-E566 HydrophobicContact CG2-CB 3.84Å; V505-C567 VanDerWaalsContact CG2-SG 3.52Å; V505-A570 HydrophobicContact CG1-CB 3.37Å
506	H	94	Very high	94	Very high	94 Å²	94	46.2 Å²	46.2	44%	0.435	25%	0.251	S	S	.	.	H	α-helix	trans	-57.5	-50.3	174.9	-172	101.2	0	0	0	111	S502 A503 K504 L508 T509 E510 K574	S502-H506 WeakPolarHBondContact O-CB 3.47Å; S502-H506 PolarHBondContact O-N 2.7Å; A503-H506 WeakPolarHBondContact O-CB 3.46Å; A503-H506 PolarHBondContact O-N 3.48Å; K504-H506 VanDerWaalsContact C-N 3.3Å; K504-H506 PolarHBondContact O-N 3.24Å; H506-L508 PolarHBondContact O-N 3.03Å; H506-T509 PolarHBondContact O-N 3.07Å; H506-E510 IonicContact CD2-OE2 3.27Å; H506-E510 IonicContact NE2-OE2 2.67Å; H506-E510 VanDerWaalsContact O-CB 3.28Å; H506-E510 WeakPolarHBondContact O-CB 3.27Å; H506-E510 PolarHBondContact O-N 2.87Å; H506-K574 PolarHBondContact ND1-NZ 2.76Å
507	Q	92.6	Very high	93.7	Very high	120 Å²	120	46.9 Å²	46.9	56%	0.561	26%	0.255	S	S	*	.	H	α-helix	trans	-58.5	-47	178.1	-174.4	-176.2	6.3	0	0	112.2	A503 K504 S511	A503-Q507 PolarHBondContact O-N 2.67Å; A503-Q507 VanDerWaalsContact O-N 3.15Å; K504-Q507 WeakPolarHBondContact O-CB 3.39Å; K504-Q507 PolarHBondContact O-N 3.49Å; Q507-S511 WeakPolarHBondContact O-CB 3.4Å; Q507-S511 PolarHBondContact O-N 3.02Å
508	L	94.6	Very high	93.5	Very high	14 Å²	14	49.4 Å²	49.4	7%	0.073	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-47.6	178.9	-67.1	178.3	0	0	0	112	K504 V505 H506 S511 L512 I536 P539 T540 M543	K504-L508 WeakPolarHBondContact O-CG 3.29Å; K504-L508 PolarHBondContact O-N 2.76Å; V505-L508 PolarHBondContact O-N 3.31Å; H506-L508 PolarHBondContact O-N 3.03Å; L508-S511 PolarHBondContact O-N 3.47Å; L508-L512 WeakPolarHBondContact O-CB 3.47Å; L508-L512 PolarHBondContact O-N 3.48Å; L508-I536 HydrophobicContact CB-CG2 4.32Å; L508-P539 HydrophobicContact CD2-CB 3.53Å; L508-P539 HydrophobicContact CD2-CG 4.36Å; L508-T540 WeakPolarHBondContact CD1-OG1 3.34Å; L508-M543 HydrophobicContact CD1-CE 3.66Å; L508-M543 HydrophobicContact CG-CE 4.24Å
509	T	93.4	Very high	93.2	Very high	4 Å²	4	47.1 Å²	47.1	3%	0.025	26%	0.256	C	S	.	.	H	α-helix	trans	-70.6	-36.6	-175	-50.3	0	0	0	0	111.3	V505 H506 R513 A570 K574	V505-T509 WeakPolarHBondContact O-CB 3.31Å; V505-T509 PolarHBondContact O-N 2.86Å; V505-T509 PolarHBondContact O-OG1 3.29Å; H506-T509 PolarHBondContact O-N 3.07Å; T509-R513 VanDerWaalsContact O-CB 3.25Å; T509-R513 WeakPolarHBondContact O-CB 3.23Å; T509-R513 PolarHBondContact O-N 3.44Å; T509-A570 HydrophobicContact CG2-CB 4.25Å; T509-A570 WeakPolarHBondContact OG1-CB 3.23Å; T509-K574 HydrophobicContact CG2-CB 3.79Å; T509-K574 HydrophobicContact CG2-CD 4.28Å
510	E	93.6	Very high	93	Very high	99 Å²	99	45 Å²	45	46%	0.463	24%	0.237	S	C	.	.	H	α-helix	trans	-66.1	-46.1	174.4	-175	173.5	-162.7	0	0	111.4	H506 L512 R513 N514	H506-E510 IonicContact CD2-OE2 3.27Å; H506-E510 IonicContact NE2-OE2 2.67Å; H506-E510 VanDerWaalsContact O-CB 3.28Å; H506-E510 WeakPolarHBondContact O-CB 3.27Å; H506-E510 PolarHBondContact O-N 2.87Å; E510-L512 PolarHBondContact O-N 3.4Å; E510-R513 PolarHBondContact O-N 2.96Å; E510-N514 WeakPolarHBondContact O-CB 3.3Å; E510-N514 PolarHBondContact O-N 3.48Å; E510-N514 PolarHBondContact O-ND2 3.26Å
511	S	94.1	Very high	92.8	Very high	48 Å²	48	51 Å²	51	34%	0.336	26%	0.263	S	S	.	.	H	α-helix	trans	-59.7	-47.6	175.4	179.2	0	0	0	0	111.9	Q507 L508 R513 N514 E515	Q507-S511 WeakPolarHBondContact O-CB 3.4Å; Q507-S511 PolarHBondContact O-N 3.02Å; L508-S511 PolarHBondContact O-N 3.47Å; S511-R513 VanDerWaalsContact C-N 3.33Å; S511-R513 PolarHBondContact O-N 2.89Å; S511-N514 PolarHBondContact O-N 3.45Å; S511-E515 PolarHBondContact O-N 3.28Å; S511-E515 VanDerWaalsContact O-N 3.17Å
512	L	94.4	Very high	92.4	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-56.9	-48.1	175.4	-179	67	0	0	0	111.3	L508 E510 N514 E515 L516 I532 T535 I536 L571 F575 F593	L508-L512 WeakPolarHBondContact O-CB 3.47Å; L508-L512 PolarHBondContact O-N 3.48Å; E510-L512 PolarHBondContact O-N 3.4Å; L512-N514 VanDerWaalsContact C-N 3.33Å; L512-N514 PolarHBondContact O-N 2.98Å; L512-E515 PolarHBondContact O-N 2.88Å; L512-L516 HydrophobicContact CD1-CB 4.14Å; L512-L516 HydrophobicContact CD1-CD2 3.66Å; L512-L516 HydrophobicContact CG-CB 4.48Å; L512-L516 HydrophobicContact CG-CD2 4.22Å; L512-L516 WeakPolarHBondContact O-CB 3.28Å; L512-L516 PolarHBondContact O-N 3.34Å; L512-I532 HydrophobicContact CD1-CG1 3.87Å; L512-T535 VanDerWaalsContact CD1-OG1 3.31Å; L512-T535 WeakPolarHBondContact CD1-OG1 3.22Å; L512-I536 HydrophobicContact CB-CG2 3.77Å; L512-I536 HydrophobicContact CD1-CG2 4.16Å; L512-I536 HydrophobicContact CD2-CD1 4.29Å; L512-I536 HydrophobicContact CD2-CG2 4.14Å; L512-I536 HydrophobicContact CG-CG2 4.24Å; L512-L571 HydrophobicContact CD2-CD2 3.54Å; L512-F575 HydrophobicContact CD2-CD1 4.23Å; L512-F575 HydrophobicContact CD2-CD2 4.44Å; L512-F575 HydrophobicContact CD2-CG 4.22Å; L512-F593 HydrophobicContact CD2-CE1 4.39Å; L512-F593 HydrophobicContact CD2-CZ 4.13Å
513	R	92.6	Very high	91.9	Very high	101 Å²	101	62.5 Å²	62.5	38%	0.381	31%	0.31	S	S	.	.	H	α-helix	trans	-62.1	-42.7	-178.6	-176.1	178.6	-176.7	-80.7	-5.9	111.4	T509 E510 S511 E515 L517	T509-R513 VanDerWaalsContact O-CB 3.25Å; T509-R513 WeakPolarHBondContact O-CB 3.23Å; T509-R513 PolarHBondContact O-N 3.44Å; E510-R513 PolarHBondContact O-N 2.96Å; S511-R513 VanDerWaalsContact C-N 3.33Å; S511-R513 PolarHBondContact O-N 2.89Å; R513-E515 VanDerWaalsContact C-N 3.34Å; R513-E515 PolarHBondContact O-N 3.35Å; R513-L517 WeakPolarHBondContact O-CB 3.3Å; R513-L517 PolarHBondContact O-N 3.47Å
514	N	93.4	Very high	91.6	Very high	86 Å²	86	63.2 Å²	63.2	46%	0.46	30%	0.303	S	S	.	.	H	α-helix	trans	-68.7	-31.2	-176.2	-69.6	-16.5	0	0	0	113	E510 S511 L512 P518	E510-N514 WeakPolarHBondContact O-CB 3.3Å; E510-N514 PolarHBondContact O-N 3.48Å; E510-N514 PolarHBondContact O-ND2 3.26Å; S511-N514 PolarHBondContact O-N 3.45Å; L512-N514 VanDerWaalsContact C-N 3.33Å; L512-N514 PolarHBondContact O-N 2.98Å; N514-P518 VanDerWaalsContact O-CD 3.23Å; N514-P518 WeakPolarHBondContact O-CD 3.33Å; N514-P518 VanDerWaalsContact O-CG 3.28Å; N514-P518 WeakPolarHBondContact O-CG 3.48Å
515	E	93.6	Very high	91	Very high	115 Å²	115	61.9 Å²	61.9	54%	0.537	30%	0.297	S	S	.	.	H	α-helix	trans	-92.7	-41.2	179.4	-64.6	-66.2	158.4	0	0	112.7	S511 L512 R513 I531 T535	S511-E515 PolarHBondContact O-N 3.28Å; S511-E515 VanDerWaalsContact O-N 3.17Å; L512-E515 PolarHBondContact O-N 2.88Å; R513-E515 VanDerWaalsContact C-N 3.34Å; R513-E515 PolarHBondContact O-N 3.35Å; E515-I531 HydrophobicContact CB-CG2 3.68Å; E515-T535 HydrophobicContact CB-CG2 3.9Å; E515-T535 HydrophobicContact CG-CG2 3.75Å
516	L	92.2	Very high	90.6	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-83.3	-32.4	-171.3	-170	55.1	0	0	0	113	L512 A519 I520 F528 I531 I532 F575 L589	L512-L516 HydrophobicContact CD1-CB 4.14Å; L512-L516 HydrophobicContact CD1-CD2 3.66Å; L512-L516 HydrophobicContact CG-CB 4.48Å; L512-L516 HydrophobicContact CG-CD2 4.22Å; L512-L516 WeakPolarHBondContact O-CB 3.28Å; L512-L516 PolarHBondContact O-N 3.34Å; L516-A519 PolarHBondContact O-N 2.96Å; L516-I520 HydrophobicContact CG-CD1 4.02Å; L516-I520 HydrophobicContact CG-CG1 4.45Å; L516-I520 VanDerWaalsContact O-CG1 3.26Å; L516-I520 WeakPolarHBondContact O-CG1 3.33Å; L516-I520 PolarHBondContact O-N 3.43Å; L516-F528 HydrophobicContact CD1-CB 4.12Å; L516-F528 HydrophobicContact CD1-CD1 3.49Å; L516-F528 VanDerWaalsContact CD1-CD1 3.49Å; L516-F528 HydrophobicContact CD1-CE1 4.04Å; L516-F528 HydrophobicContact CD1-CG 3.81Å; L516-I531 HydrophobicContact CB-CG2 3.92Å; L516-I531 HydrophobicContact CD1-CB 4.37Å; L516-I531 HydrophobicContact CD1-CD1 4.29Å; L516-I531 HydrophobicContact CD1-CG2 4.13Å; L516-I532 HydrophobicContact CD2-CD1 4.02Å; L516-I532 HydrophobicContact CD2-CG1 3.92Å; L516-F575 HydrophobicContact CB-CE2 4.16Å; L516-F575 HydrophobicContact CB-CZ 4.38Å; L516-F575 HydrophobicContact CD2-CE1 4.05Å; L516-F575 HydrophobicContact CD2-CE2 3.89Å; L516-F575 HydrophobicContact CD2-CZ 3.31Å; L516-F575 HydrophobicContact CG-CE2 4.12Å; L516-F575 HydrophobicContact CG-CZ 3.85Å; L516-L589 HydrophobicContact CD2-CD2 3.82Å; L516-L589 HydrophobicContact CG-CD2 4.41Å
517	L	90	Very high	90.3	Very high	28 Å²	28	67 Å²	67	15%	0.147	33%	0.328	C	S	.	.	H	α-helix	trans	-64.4	-47.2	179.5	-173.3	66.3	0	0	0	112	R513 A519 I520 E521 V579	R513-L517 WeakPolarHBondContact O-CB 3.3Å; R513-L517 PolarHBondContact O-N 3.47Å; L517-A519 VanDerWaalsContact C-N 3.32Å; L517-A519 PolarHBondContact O-N 3.03Å; L517-I520 WeakPolarHBondContact O-CB 3.46Å; L517-I520 PolarHBondContact O-N 3.03Å; L517-E521 WeakPolarHBondContact O-CG 3.37Å; L517-E521 PolarHBondContact O-N 2.88Å; L517-V579 HydrophobicContact CD1-CG2 4.39Å
518	P	91	Very high	90.3	Very high	53 Å²	53	61.4 Å²	61.4	34%	0.344	30%	0.302	S	S	.	.	H	α-helix	trans	-59.9	-40.9	173.1	-24	35.3	0	0	0	112.7	N514 I520 E521 E522	N514-P518 VanDerWaalsContact O-CD 3.23Å; N514-P518 WeakPolarHBondContact O-CD 3.33Å; N514-P518 VanDerWaalsContact O-CG 3.28Å; N514-P518 WeakPolarHBondContact O-CG 3.48Å; P518-I520 VanDerWaalsContact C-N 3.27Å; P518-I520 PolarHBondContact O-N 3.14Å; P518-E521 PolarHBondContact O-N 2.92Å; P518-E522 WeakPolarHBondContact O-CB 3.32Å; P518-E522 WeakPolarHBondContact O-CG 3.46Å; P518-E522 PolarHBondContact O-N 3.35Å
519	A	90.7	Very high	90	Very high	4 Å²	4	65.8 Å²	65.8	3%	0.033	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-34.3	177.4	0	0	0	0	0	112.6	L516 L517 K523 Q524 F528 I531	L516-A519 PolarHBondContact O-N 2.96Å; L517-A519 VanDerWaalsContact C-N 3.32Å; L517-A519 PolarHBondContact O-N 3.03Å; A519-K523 PolarHBondContact O-N 3.29Å; A519-Q524 HydrophobicContact CB-CB 4.41Å; A519-Q524 PolarHBondContact O-N 3.05Å; A519-F528 HydrophobicContact CB-CD1 4.28Å; A519-F528 HydrophobicContact CB-CE1 3.99Å; A519-I531 HydrophobicContact CB-CD1 3.44Å; A519-I531 VanDerWaalsContact CB-CD1 3.44Å
520	I	89.5	Confident	90	Very high	10 Å²	10	68.3 Å²	68.3	5%	0.051	34%	0.343	C	S	.	.	H	α-helix	trans	-67.3	-46.5	173.4	-70.7	163.4	0	0	0	110.8	L516 L517 P518 E522 K523 F528 F575 V579 C581 V585 L589	L516-I520 HydrophobicContact CG-CD1 4.02Å; L516-I520 HydrophobicContact CG-CG1 4.45Å; L516-I520 VanDerWaalsContact O-CG1 3.26Å; L516-I520 WeakPolarHBondContact O-CG1 3.33Å; L516-I520 PolarHBondContact O-N 3.43Å; L517-I520 WeakPolarHBondContact O-CB 3.46Å; L517-I520 PolarHBondContact O-N 3.03Å; P518-I520 VanDerWaalsContact C-N 3.27Å; P518-I520 PolarHBondContact O-N 3.14Å; I520-E522 VanDerWaalsContact C-N 3.32Å; I520-E522 PolarHBondContact O-N 3.44Å; I520-K523 PolarHBondContact O-N 2.69Å; I520-K523 VanDerWaalsContact O-N 3.12Å; I520-F528 HydrophobicContact CB-CZ 4.3Å; I520-F528 HydrophobicContact CG1-CE1 3.89Å; I520-F528 HydrophobicContact CG1-CE2 4.18Å; I520-F528 HydrophobicContact CG1-CZ 3.52Å; I520-F575 HydrophobicContact CD1-CZ 4.15Å; I520-V579 HydrophobicContact CD1-CG1 3.86Å; I520-V579 HydrophobicContact CD1-CG2 4.07Å; I520-V579 HydrophobicContact CG2-CG1 4.38Å; I520-C581 HydrophobicContact CG2-CB 4.44Å; I520-V585 HydrophobicContact CG1-CG1 4.24Å; I520-V585 HydrophobicContact CG2-CG1 4.05Å; I520-L589 HydrophobicContact CD1-CD1 4.26Å; I520-L589 HydrophobicContact CD1-CD2 4.41Å
521	E	87.5	Confident	90	Very high	145 Å²	145	64.8 Å²	64.8	68%	0.678	33%	0.327	S	S	*	.	H	α-helix	trans	-63	-38.5	179.8	-69.6	175.8	177.3	0	0	112.1	L517 P518 K523	L517-E521 WeakPolarHBondContact O-CG 3.37Å; L517-E521 PolarHBondContact O-N 2.88Å; P518-E521 PolarHBondContact O-N 2.92Å; E521-K523 VanDerWaalsContact C-N 3.27Å; E521-K523 PolarHBondContact O-N 3.33Å
522	E	88.6	Confident	89.9	Confident	127 Å²	127	62.5 Å²	62.5	59%	0.593	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-0.3	176.9	-66.3	-176.8	-173.2	0	0	113.8	P518 I520 Q524	P518-E522 WeakPolarHBondContact O-CB 3.32Å; P518-E522 WeakPolarHBondContact O-CG 3.46Å; P518-E522 PolarHBondContact O-N 3.35Å; I520-E522 VanDerWaalsContact C-N 3.32Å; I520-E522 PolarHBondContact O-N 3.44Å; E522-Q524 HydrophobicContact CB-CG 3.9Å; E522-Q524 PolarHBondContact O-N 3.44Å; E522-Q524 PolarHBondContact OE2-NE2 3.48Å
523	K	82.9	Confident	89.9	Confident	153 Å²	153	63.6 Å²	63.6	67%	0.665	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	34.7	-178.2	-57.3	-175.2	176.3	-172.4	0	113.8	A519 I520 E521 E525	A519-K523 PolarHBondContact O-N 3.29Å; I520-K523 PolarHBondContact O-N 2.69Å; I520-K523 VanDerWaalsContact O-N 3.12Å; E521-K523 VanDerWaalsContact C-N 3.27Å; E521-K523 PolarHBondContact O-N 3.33Å; K523-E525 PolarHBondContact O-N 3.46Å
524	Q	86.1	Confident	90	Very high	79 Å²	79	63.3 Å²	63.3	37%	0.369	33%	0.327	S	S	.	.			trans	-84	54.9	176.1	-59.6	-170.3	4.6	0	0	111.7	A519 E522 D526 N527	A519-Q524 HydrophobicContact CB-CB 4.41Å; A519-Q524 PolarHBondContact O-N 3.05Å; E522-Q524 HydrophobicContact CB-CG 3.9Å; E522-Q524 PolarHBondContact O-N 3.44Å; E522-Q524 PolarHBondContact OE2-NE2 3.48Å; Q524-D526 PolarHBondContact O-N 3.23Å; Q524-D526 VanDerWaalsContact O-N 3.12Å; Q524-N527 WeakPolarHBondContact O-CB 3.43Å; Q524-N527 PolarHBondContact O-N 3.12Å; Q524-N527 PolarHBondContact OE1-ND2 2.94Å
525	E	81.7	Confident	90	Very high	16 Å²	16	59.7 Å²	59.7	8%	0.075	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-59.4	-27.7	-171.9	-64.1	173.2	-167.5	0	0	114.5	K523 N527 F528 R584 V585 K588	K523-E525 PolarHBondContact O-N 3.46Å; E525-N527 PolarHBondContact O-N 3.22Å; E525-F528 HydrophobicContact CB-CE2 4.29Å; E525-F528 HydrophobicContact CB-CZ 4.37Å; E525-F528 HydrophobicContact CG-CE2 4.17Å; E525-F528 HydrophobicContact CG-CZ 4.13Å; E525-F528 PolarHBondContact O-N 3.46Å; E525-R584 WeakPolarHBondContact OE1-CD 3.23Å; E525-R584 IonicContact OE1-CZ 2.95Å; E525-R584 IonicContact OE1-NE 3.78Å; E525-R584 PolarHBondContact OE1-NE 3.15Å; E525-R584 IonicContact OE1-NH2 3.62Å; E525-R584 IonicContact OE2-CZ 3.77Å; E525-R584 IonicContact OE2-NE 3.09Å; E525-R584 PolarHBondContact OE2-NE 3.39Å; E525-R584 IonicContact OE2-NH2 3.74Å; E525-R584 PolarHBondContact OE2-NH2 3.07Å; E525-V585 HydrophobicContact CG-CG2 4.19Å; E525-K588 HydrophobicContact CB-CG 4.37Å
526	D	85.6	Confident	90	Very high	132 Å²	132	54.3 Å²	54.3	71%	0.706	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-71.1	-16.3	179.9	-63.8	-34.2	0	0	0	112.3	Q524 K588	Q524-D526 PolarHBondContact O-N 3.23Å; Q524-D526 VanDerWaalsContact O-N 3.12Å; D526-K588 IonicContact OD1-NZ 3.19Å
527	N	89.4	Confident	90.1	Very high	73 Å²	73	54.4 Å²	54.4	39%	0.39	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-90.5	-10.9	179	-67	-17.2	0	0	0	113.2	Q524 E525 E529 A530 I531	Q524-N527 WeakPolarHBondContact O-CB 3.43Å; Q524-N527 PolarHBondContact O-N 3.12Å; Q524-N527 PolarHBondContact OE1-ND2 2.94Å; E525-N527 PolarHBondContact O-N 3.22Å; N527-E529 PolarHBondContact O-N 3.37Å; N527-A530 PolarHBondContact O-N 3.34Å; N527-I531 HydrophobicContact CB-CD1 3.98Å; N527-I531 HydrophobicContact CB-CG1 4.45Å; N527-I531 VanDerWaalsContact O-CG1 3.29Å; N527-I531 WeakPolarHBondContact O-CG1 3.37Å; N527-I531 PolarHBondContact O-N 3.23Å
528	F	90.8	Very high	90.4	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.009	30%	0.297	C	S	.	.	H	α-helix	trans	-61.4	-42.3	-170.7	-68.7	-2.1	0	0	0	113.5	L516 A519 I520 E525 A530 I531 I532 V585 K588 L589	L516-F528 HydrophobicContact CD1-CB 4.12Å; L516-F528 HydrophobicContact CD1-CD1 3.49Å; L516-F528 VanDerWaalsContact CD1-CD1 3.49Å; L516-F528 HydrophobicContact CD1-CE1 4.04Å; L516-F528 HydrophobicContact CD1-CG 3.81Å; A519-F528 HydrophobicContact CB-CD1 4.28Å; A519-F528 HydrophobicContact CB-CE1 3.99Å; I520-F528 HydrophobicContact CB-CZ 4.3Å; I520-F528 HydrophobicContact CG1-CE1 3.89Å; I520-F528 HydrophobicContact CG1-CE2 4.18Å; I520-F528 HydrophobicContact CG1-CZ 3.52Å; E525-F528 HydrophobicContact CB-CE2 4.29Å; E525-F528 HydrophobicContact CB-CZ 4.37Å; E525-F528 HydrophobicContact CG-CE2 4.17Å; E525-F528 HydrophobicContact CG-CZ 4.13Å; E525-F528 PolarHBondContact O-N 3.46Å; F528-A530 VanDerWaalsContact C-N 3.35Å; F528-I531 PolarHBondContact O-N 2.8Å; F528-I532 WeakPolarHBondContact O-CB 3.41Å; F528-I532 WeakPolarHBondContact O-CG1 3.38Å; F528-I532 PolarHBondContact O-N 3.49Å; F528-V585 HydrophobicContact CE2-CG1 3.93Å; F528-V585 HydrophobicContact CZ-CG1 4.26Å; F528-K588 HydrophobicContact CD2-CB 3.91Å; F528-K588 HydrophobicContact CE2-CB 4.22Å; F528-L589 HydrophobicContact CD2-CD2 4.1Å; F528-L589 HydrophobicContact CD2-CG 4.43Å; F528-L589 HydrophobicContact CE2-CD2 4.43Å; F528-L589 HydrophobicContact CE2-CG 4.49Å
529	E	90	Very high	90.6	Very high	106 Å²	106	57 Å²	57	50%	0.495	29%	0.294	S	S	.	.	H	α-helix	trans	-63.5	-42.9	178.6	-172	175.6	173.9	0	0	111	N527 T533	N527-E529 PolarHBondContact O-N 3.37Å; E529-T533 WeakPolarHBondContact O-CB 3.16Å; E529-T533 PolarHBondContact O-N 3.11Å; E529-T533 PolarHBondContact O-OG1 3.03Å
530	A	92	Very high	90.8	Very high	57 Å²	57	56.8 Å²	56.8	47%	0.471	29%	0.292	S	S	.	.	H	α-helix	trans	-64.7	-42.6	175.7	0	0	0	0	0	111.9	N527 F528 T533 T534	N527-A530 PolarHBondContact O-N 3.34Å; F528-A530 VanDerWaalsContact C-N 3.35Å; A530-T533 PolarHBondContact O-N 2.94Å; A530-T534 WeakPolarHBondContact O-CB 3.42Å; A530-T534 PolarHBondContact O-N 3.07Å; A530-T534 PolarHBondContact O-OG1 3.43Å
531	I	93.7	Very high	91	Very high	25 Å²	25	60.9 Å²	60.9	13%	0.128	31%	0.311	C	S	.	.	H	α-helix	trans	-63	-50.8	177.3	-68.1	165.3	0	0	0	110.3	E515 L516 A519 N527 F528 T533 T534 T535	E515-I531 HydrophobicContact CB-CG2 3.68Å; L516-I531 HydrophobicContact CB-CG2 3.92Å; L516-I531 HydrophobicContact CD1-CB 4.37Å; L516-I531 HydrophobicContact CD1-CD1 4.29Å; L516-I531 HydrophobicContact CD1-CG2 4.13Å; A519-I531 HydrophobicContact CB-CD1 3.44Å; A519-I531 VanDerWaalsContact CB-CD1 3.44Å; N527-I531 HydrophobicContact CB-CD1 3.98Å; N527-I531 HydrophobicContact CB-CG1 4.45Å; N527-I531 VanDerWaalsContact O-CG1 3.29Å; N527-I531 WeakPolarHBondContact O-CG1 3.37Å; N527-I531 PolarHBondContact O-N 3.23Å; F528-I531 PolarHBondContact O-N 2.8Å; I531-T533 VanDerWaalsContact C-N 3.31Å; I531-T533 PolarHBondContact O-N 2.91Å; I531-T534 PolarHBondContact O-N 3.28Å; I531-T535 HydrophobicContact CG2-CG2 4.09Å; I531-T535 VanDerWaalsContact O-CB 3.32Å; I531-T535 WeakPolarHBondContact O-CB 3.27Å; I531-T535 VanDerWaalsContact O-CG2 3.31Å; I531-T535 WeakPolarHBondContact O-CG2 3.38Å; I531-T535 PolarHBondContact O-N 2.99Å; I531-T535 PolarHBondContact O-OG1 2.92Å
532	I	93.3	Very high	91.3	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-43.4	178.3	-76.4	166.3	0	0	0	110.6	L512 L516 F528 T534 I536 V537 A592 F593	L512-I532 HydrophobicContact CD1-CG1 3.87Å; L516-I532 HydrophobicContact CD2-CD1 4.02Å; L516-I532 HydrophobicContact CD2-CG1 3.92Å; F528-I532 WeakPolarHBondContact O-CB 3.41Å; F528-I532 WeakPolarHBondContact O-CG1 3.38Å; F528-I532 PolarHBondContact O-N 3.49Å; I532-T534 VanDerWaalsContact C-N 3.33Å; I532-T534 PolarHBondContact O-N 3.31Å; I532-I536 HydrophobicContact CG2-CD1 3.9Å; I532-I536 HydrophobicContact CG2-CG1 3.81Å; I532-I536 WeakPolarHBondContact O-CG1 3.3Å; I532-I536 PolarHBondContact O-N 3.49Å; I532-V537 HydrophobicContact CG2-CG2 4.15Å; I532-V537 PolarHBondContact O-N 3.32Å; I532-V537 VanDerWaalsContact O-N 3.12Å; I532-A592 HydrophobicContact CD1-CB 3.38Å; I532-F593 HydrophobicContact CD1-CD2 4.33Å; I532-F593 HydrophobicContact CD1-CE2 4.09Å; I532-F593 HydrophobicContact CD1-CZ 4.42Å
533	T	93.4	Very high	91.6	Very high	22 Å²	22	54.8 Å²	54.8	14%	0.135	28%	0.283	C	S	.	.	I	π-helix	trans	-59.5	-46.1	178.3	-62.4	0	0	0	0	111.3	E529 A530 I531 V537 H538	E529-T533 WeakPolarHBondContact O-CB 3.16Å; E529-T533 PolarHBondContact O-N 3.11Å; E529-T533 PolarHBondContact O-OG1 3.03Å; A530-T533 PolarHBondContact O-N 2.94Å; I531-T533 VanDerWaalsContact C-N 3.31Å; I531-T533 PolarHBondContact O-N 2.91Å; T533-V537 HydrophobicContact CG2-CB 4.5Å; T533-V537 WeakPolarHBondContact O-CB 3.38Å; T533-V537 PolarHBondContact O-N 3.37Å; T533-H538 WeakPolarHBondContact CG2-NE2 3.33Å; T533-H538 PolarHBondContact O-CD2 3.05Å; T533-H538 PolarHBondContact O-N 3.28Å
534	T	94.4	Very high	92.2	Very high	95 Å²	95	47.9 Å²	47.9	58%	0.583	25%	0.254	S	S	*	.	I	π-helix	trans	-76.2	-36.8	-176.2	-47.3	0	0	0	0	112.8	A530 I531 I532 P539	A530-T534 WeakPolarHBondContact O-CB 3.42Å; A530-T534 PolarHBondContact O-N 3.07Å; A530-T534 PolarHBondContact O-OG1 3.43Å; I531-T534 PolarHBondContact O-N 3.28Å; I532-T534 VanDerWaalsContact C-N 3.33Å; I532-T534 PolarHBondContact O-N 3.31Å; T534-P539 WeakPolarHBondContact O-CD 3.33Å
535	T	93.8	Very high	92.5	Very high	10 Å²	10	47.1 Å²	47.1	6%	0.061	25%	0.254	C	S	.	.	I	π-helix	trans	-87.5	-34.6	-173.6	54.4	0	0	0	0	113.9	L512 E515 I531	L512-T535 VanDerWaalsContact CD1-OG1 3.31Å; L512-T535 WeakPolarHBondContact CD1-OG1 3.22Å; E515-T535 HydrophobicContact CB-CG2 3.9Å; E515-T535 HydrophobicContact CG-CG2 3.75Å; I531-T535 HydrophobicContact CG2-CG2 4.09Å; I531-T535 VanDerWaalsContact O-CB 3.32Å; I531-T535 WeakPolarHBondContact O-CB 3.27Å; I531-T535 VanDerWaalsContact O-CG2 3.31Å; I531-T535 WeakPolarHBondContact O-CG2 3.38Å; I531-T535 PolarHBondContact O-N 2.99Å; I531-T535 PolarHBondContact O-OG1 2.92Å
536	I	94.3	Very high	93	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	26%	0.261	C	S	.	.	I	π-helix	trans	-124.1	-40.9	-176.3	66.2	169.7	0	0	0	114	L508 L512 I532 T540 F593 F596	L508-I536 HydrophobicContact CB-CG2 4.32Å; L512-I536 HydrophobicContact CB-CG2 3.77Å; L512-I536 HydrophobicContact CD1-CG2 4.16Å; L512-I536 HydrophobicContact CD2-CD1 4.29Å; L512-I536 HydrophobicContact CD2-CG2 4.14Å; L512-I536 HydrophobicContact CG-CG2 4.24Å; I532-I536 HydrophobicContact CG2-CD1 3.9Å; I532-I536 HydrophobicContact CG2-CG1 3.81Å; I532-I536 WeakPolarHBondContact O-CG1 3.3Å; I532-I536 PolarHBondContact O-N 3.49Å; I536-T540 WeakPolarHBondContact O-CB 3.39Å; I536-T540 PolarHBondContact O-N 3.17Å; I536-T540 PolarHBondContact O-OG1 2.88Å; I536-F593 HydrophobicContact CD1-CD1 4.11Å; I536-F593 HydrophobicContact CD1-CE1 3.68Å; I536-F596 HydrophobicContact CB-CD2 4.21Å; I536-F596 HydrophobicContact CB-CE2 4.31Å; I536-F596 HydrophobicContact CD1-CB 4.17Å; I536-F596 HydrophobicContact CD1-CD1 4.41Å; I536-F596 HydrophobicContact CD1-CD2 3.77Å; I536-F596 HydrophobicContact CD1-CE2 4.23Å; I536-F596 HydrophobicContact CD1-CG 3.86Å; I536-F596 HydrophobicContact CG1-CD2 4Å; I536-F596 HydrophobicContact CG1-CG 4.47Å
537	V	94.2	Very high	93.4	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.012	23%	0.228	C	C	.	.	I	π-helix	trans	-68.2	-57.6	-174.1	-179.9	0	0	0	0	111.1	I532 T533 T540 Q541 Q595 F596 L599	I532-V537 HydrophobicContact CG2-CG2 4.15Å; I532-V537 PolarHBondContact O-N 3.32Å; I532-V537 VanDerWaalsContact O-N 3.12Å; T533-V537 HydrophobicContact CG2-CB 4.5Å; T533-V537 WeakPolarHBondContact O-CB 3.38Å; T533-V537 PolarHBondContact O-N 3.37Å; V537-T540 PolarHBondContact O-N 3.14Å; V537-Q541 WeakPolarHBondContact O-CB 3.3Å; V537-Q541 PolarHBondContact O-N 3.24Å; V537-Q595 HydrophobicContact CG1-CG 4.05Å; V537-Q595 HydrophobicContact CG2-CG 4.43Å; V537-F596 HydrophobicContact CG2-CB 4.13Å; V537-L599 HydrophobicContact CB-CD1 4.43Å; V537-L599 HydrophobicContact CG1-CD1 3.83Å; V537-L599 HydrophobicContact CG1-CD2 4.46Å; V537-L599 HydrophobicContact CG1-CG 4.37Å; V537-L599 WeakPolarHBondContact O-CD1 3.35Å
538	H	94.8	Very high	93.5	Very high	93 Å²	93	43.5 Å²	43.5	43%	0.431	23%	0.231	S	C	.	.	H	α-helix	trans	-59.6	-49.8	-179.9	-74.6	-55.9	0	0	0	112.8	T533 T540 Q541 E542	T533-H538 WeakPolarHBondContact CG2-NE2 3.33Å; T533-H538 PolarHBondContact O-CD2 3.05Å; T533-H538 PolarHBondContact O-N 3.28Å; H538-T540 VanDerWaalsContact C-N 3.27Å; H538-T540 PolarHBondContact O-N 3.5Å; H538-Q541 PolarHBondContact O-N 3.36Å; H538-Q541 VanDerWaalsContact O-N 3.15Å; H538-E542 PolarHBondContact O-N 3.16Å
539	P	95.3	Very high	93.4	Very high	42 Å²	42	50.1 Å²	50.1	27%	0.273	26%	0.262	S	S	.	.	H	α-helix	trans	-64.1	-31.1	179.2	-26.3	38.9	0	0	0	113.4	L508 T534 M543	L508-P539 HydrophobicContact CD2-CB 3.53Å; L508-P539 HydrophobicContact CD2-CG 4.36Å; T534-P539 WeakPolarHBondContact O-CD 3.33Å; P539-M543 VanDerWaalsContact O-CB 3.31Å; P539-M543 WeakPolarHBondContact O-CB 3.44Å; P539-M543 PolarHBondContact O-N 2.71Å
540	T	95.4	Very high	93.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-70.7	-41.6	174.7	-60.3	0	0	0	0	111.1	L508 I536 V537 H538 E542 M543 L544 F596 L599 F600	L508-T540 WeakPolarHBondContact CD1-OG1 3.34Å; I536-T540 WeakPolarHBondContact O-CB 3.39Å; I536-T540 PolarHBondContact O-N 3.17Å; I536-T540 PolarHBondContact O-OG1 2.88Å; V537-T540 PolarHBondContact O-N 3.14Å; H538-T540 VanDerWaalsContact C-N 3.27Å; H538-T540 PolarHBondContact O-N 3.5Å; T540-E542 PolarHBondContact O-N 2.64Å; T540-M543 PolarHBondContact O-N 2.78Å; T540-L544 HydrophobicContact CG2-CD1 3.86Å; T540-L544 HydrophobicContact CG2-CG 4.18Å; T540-L544 WeakPolarHBondContact O-CB 3.49Å; T540-L544 VanDerWaalsContact O-CG 3.23Å; T540-L544 WeakPolarHBondContact O-CG 3.48Å; T540-L544 PolarHBondContact O-N 2.89Å; T540-F596 HydrophobicContact CG2-CE2 4.09Å; T540-F596 WeakPolarHBondContact OG1-CE2 3.41Å; T540-L599 HydrophobicContact CG2-CD1 4Å; T540-F600 HydrophobicContact CG2-CE1 4.43Å; T540-F600 HydrophobicContact CG2-CE2 4.08Å; T540-F600 HydrophobicContact CG2-CZ 3.75Å
541	Q	94.4	Very high	93.6	Very high	96 Å²	96	45.1 Å²	45.1	45%	0.449	23%	0.226	S	C	.	.	H	α-helix	trans	-61.2	-43.9	176.9	-175.2	178.7	-2.2	0	0	111.9	V537 H538 L544 T545 L599	V537-Q541 WeakPolarHBondContact O-CB 3.3Å; V537-Q541 PolarHBondContact O-N 3.24Å; H538-Q541 PolarHBondContact O-N 3.36Å; H538-Q541 VanDerWaalsContact O-N 3.15Å; Q541-L544 PolarHBondContact O-N 3.37Å; Q541-T545 WeakPolarHBondContact O-CB 3.3Å; Q541-T545 PolarHBondContact O-N 3.36Å; Q541-T545 PolarHBondContact O-OG1 3.15Å; Q541-L599 HydrophobicContact CB-CD1 4.29Å; Q541-L599 HydrophobicContact CB-CD2 4.19Å; Q541-L599 HydrophobicContact CG-CD2 4.37Å
542	E	93.6	Very high	93.5	Very high	137 Å²	137	44.1 Å²	44.1	64%	0.64	22%	0.221	S	C	*	.	H	α-helix	trans	-61.1	-47	174.9	-70.4	176.9	175.4	0	0	111.2	H538 T540 L544 T545 E546	H538-E542 PolarHBondContact O-N 3.16Å; T540-E542 PolarHBondContact O-N 2.64Å; E542-L544 PolarHBondContact O-N 3.42Å; E542-T545 PolarHBondContact O-N 3.28Å; E542-E546 WeakPolarHBondContact O-CB 3.43Å; E542-E546 PolarHBondContact O-N 3.11Å
543	M	94.4	Very high	93.4	Very high	8 Å²	8	47.8 Å²	47.8	4%	0.039	24%	0.244	C	C	.	.	H	α-helix	trans	-61.6	-43.4	178.6	-172.4	-159.7	-43.3	0	0	112.8	K504 L508 P539 T540 E546 A547 W559 L563	K504-M543 HydrophobicContact CB-CE 3.53Å; K504-M543 HydrophobicContact CB-SD 3.67Å; K504-M543 HydrophobicContact CD-CE 4.09Å; K504-M543 HydrophobicContact CD-CG 4.42Å; K504-M543 HydrophobicContact CD-SD 4.34Å; K504-M543 HydrophobicContact CG-CE 4.02Å; K504-M543 HydrophobicContact CG-CG 4.38Å; K504-M543 HydrophobicContact CG-SD 3.85Å; L508-M543 HydrophobicContact CD1-CE 3.66Å; L508-M543 HydrophobicContact CG-CE 4.24Å; P539-M543 VanDerWaalsContact O-CB 3.31Å; P539-M543 WeakPolarHBondContact O-CB 3.44Å; P539-M543 PolarHBondContact O-N 2.71Å; T540-M543 PolarHBondContact O-N 2.78Å; M543-E546 PolarHBondContact O-N 2.94Å; M543-A547 VanDerWaalsContact O-CB 3.28Å; M543-A547 WeakPolarHBondContact O-CB 3.48Å; M543-A547 PolarHBondContact O-N 3.2Å; M543-W559 HydrophobicContact CG-CH2 3.84Å; M543-W559 HydrophobicContact CG-CZ2 3.89Å; M543-W559 HydrophobicContact SD-CH2 3.86Å; M543-W559 HydrophobicContact SD-CZ2 3.65Å; M543-L563 HydrophobicContact SD-CD1 3.92Å; M543-L563 HydrophobicContact SD-CD2 3.99Å
544	L	94.7	Very high	93.4	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-44.5	177.6	-72	170.5	0	0	0	110.7	T540 Q541 E542 A547 Q548 W559 L560 L563 L599 F600 A603	T540-L544 HydrophobicContact CG2-CD1 3.86Å; T540-L544 HydrophobicContact CG2-CG 4.18Å; T540-L544 WeakPolarHBondContact O-CB 3.49Å; T540-L544 VanDerWaalsContact O-CG 3.23Å; T540-L544 WeakPolarHBondContact O-CG 3.48Å; T540-L544 PolarHBondContact O-N 2.89Å; Q541-L544 PolarHBondContact O-N 3.37Å; E542-L544 PolarHBondContact O-N 3.42Å; L544-A547 PolarHBondContact O-N 3.48Å; L544-Q548 VanDerWaalsContact O-CB 3.26Å; L544-Q548 WeakPolarHBondContact O-CB 2.95Å; L544-Q548 PolarHBondContact O-N 3.49Å; L544-W559 HydrophobicContact CD2-CH2 4.29Å; L544-W559 HydrophobicContact CD2-CZ3 3.97Å; L544-L560 HydrophobicContact CD2-CD1 3.49Å; L544-L560 VanDerWaalsContact CD2-CD1 3.49Å; L544-L563 HydrophobicContact CD2-CD2 4.01Å; L544-L599 HydrophobicContact CD1-CB 3.96Å; L544-F600 HydrophobicContact CD2-CE1 4.45Å; L544-A603 HydrophobicContact CD1-CB 4.12Å; L544-A603 HydrophobicContact CD2-CB 4.06Å
545	T	92.5	Very high	93.4	Very high	63 Å²	63	44.4 Å²	44.4	39%	0.387	23%	0.225	S	C	.	.	H	α-helix	trans	-62.6	-46	177.9	-54	0	0	0	0	110.9	Q541 E542 Q548 Q549	Q541-T545 WeakPolarHBondContact O-CB 3.3Å; Q541-T545 PolarHBondContact O-N 3.36Å; Q541-T545 PolarHBondContact O-OG1 3.15Å; E542-T545 PolarHBondContact O-N 3.28Å; T545-Q548 PolarHBondContact O-N 3.43Å; T545-Q549 VanDerWaalsContact O-CG 3.3Å; T545-Q549 WeakPolarHBondContact O-CG 3.47Å; T545-Q549 PolarHBondContact O-N 3.36Å
546	E	92.8	Very high	93.5	Very high	47 Å²	47	44 Å²	44	22%	0.22	22%	0.223	C	C	.	.	H	α-helix	trans	-60.5	-50.2	177.4	-174	-164.9	165.4	0	0	111.4	Q449 E542 M543 Q548 Q549 R550	Q449-E546 PolarHBondContact OE1-OE1 3.44Å; E542-E546 WeakPolarHBondContact O-CB 3.43Å; E542-E546 PolarHBondContact O-N 3.11Å; M543-E546 PolarHBondContact O-N 2.94Å; E546-Q548 VanDerWaalsContact C-N 3.35Å; E546-Q548 PolarHBondContact O-N 3.02Å; E546-Q549 PolarHBondContact O-N 3.12Å; E546-R550 WeakPolarHBondContact O-CB 3.31Å; E546-R550 VanDerWaalsContact O-CG 3.31Å; E546-R550 WeakPolarHBondContact O-CG 3.43Å; E546-R550 PolarHBondContact O-N 3.27Å; E546-R550 IonicContact OE1-CZ 2.79Å; E546-R550 IonicContact OE1-NH1 3.12Å; E546-R550 PolarHBondContact OE1-NH1 3.31Å
547	A	93.9	Very high	93.4	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-40.6	-179.9	0	0	0	0	0	111.7	F452 M543 L544 Q549 R550 L551 F556 W559	F452-A547 HydrophobicContact CE2-CB 3.86Å; F452-A547 HydrophobicContact CZ-CB 3.77Å; M543-A547 VanDerWaalsContact O-CB 3.28Å; M543-A547 WeakPolarHBondContact O-CB 3.48Å; M543-A547 PolarHBondContact O-N 3.2Å; L544-A547 PolarHBondContact O-N 3.48Å; A547-Q549 VanDerWaalsContact C-N 3.3Å; A547-Q549 PolarHBondContact O-N 2.6Å; A547-R550 PolarHBondContact O-N 3.01Å; A547-L551 HydrophobicContact CB-CD1 4.31Å; A547-L551 VanDerWaalsContact O-CB 3.3Å; A547-L551 WeakPolarHBondContact O-CB 3.24Å; A547-L551 PolarHBondContact O-N 3.01Å; A547-F556 HydrophobicContact CB-CD2 4.02Å; A547-F556 HydrophobicContact CB-CE2 3.96Å; A547-W559 HydrophobicContact CB-CD2 4.25Å; A547-W559 HydrophobicContact CB-CE3 3.7Å; A547-W559 HydrophobicContact CB-CH2 3.4Å; A547-W559 HydrophobicContact CB-CZ2 4.01Å; A547-W559 HydrophobicContact CB-CZ3 3.25Å
548	Q	91.2	Very high	93.4	Very high	97 Å²	97	45.1 Å²	45.1	45%	0.453	23%	0.228	S	C	.	.	H	α-helix	trans	-64.6	-35.6	177.6	-169.5	174.8	14.3	0	0	111.8	K390 L544 T545 E546 F556	K390-Q548 PolarHBondContact NZ-O 3.28Å; L544-Q548 VanDerWaalsContact O-CB 3.26Å; L544-Q548 WeakPolarHBondContact O-CB 2.95Å; L544-Q548 PolarHBondContact O-N 3.49Å; T545-Q548 PolarHBondContact O-N 3.43Å; E546-Q548 VanDerWaalsContact C-N 3.35Å; E546-Q548 PolarHBondContact O-N 3.02Å; Q548-F556 HydrophobicContact CB-CD2 4.08Å; Q548-F556 HydrophobicContact CB-CE2 3.68Å; Q548-F556 HydrophobicContact CB-CZ 3.99Å; Q548-F556 HydrophobicContact CG-CE2 4.41Å; Q548-F556 HydrophobicContact CG-CZ 4.35Å
549	Q	89.6	Confident	93.5	Very high	142 Å²	142	40.7 Å²	40.7	66%	0.664	21%	0.207	S	C	*	.	H	α-helix	trans	-71.3	-32.6	175.5	-73.5	175.5	1.7	0	0	112.7	K390 T545 E546 A547	K390-Q549 PolarHBondContact NZ-O 3.03Å; T545-Q549 VanDerWaalsContact O-CG 3.3Å; T545-Q549 WeakPolarHBondContact O-CG 3.47Å; T545-Q549 PolarHBondContact O-N 3.36Å; E546-Q549 PolarHBondContact O-N 3.12Å; A547-Q549 VanDerWaalsContact C-N 3.3Å; A547-Q549 PolarHBondContact O-N 2.6Å
550	R	91.8	Very high	93.4	Very high	57 Å²	57	38.7 Å²	38.7	22%	0.215	19%	0.194	C	C	.	.	H	α-helix	trans	-101.1	-33	-170.7	-64.5	173.8	66.1	179.1	2.8	115	K390 Q449 F452 E453 N456 E546 A547	K390-R550 WeakPolarHBondContact CD-O 3.26Å; Q449-R550 PolarHBondContact O-NH2 3.04Å; F452-R550 HydrophobicContact CB-CB 4.2Å; F452-R550 HydrophobicContact CD2-CB 3.93Å; E453-R550 IonicContact OE1-CZ 3.6Å; E453-R550 VanDerWaalsContact OE1-CZ 3.22Å; E453-R550 IonicContact OE1-NE 3.88Å; E453-R550 PolarHBondContact OE1-NE 3.06Å; E453-R550 IonicContact OE1-NH2 3.67Å; E453-R550 PolarHBondContact OE1-NH2 3Å; E453-R550 IonicContact OE2-CZ 2.69Å; E453-R550 IonicContact OE2-NH2 3.68Å; E453-R550 PolarHBondContact OE2-NH2 3.46Å; N456-R550 PolarHBondContact ND2-O 2.93Å; E546-R550 WeakPolarHBondContact O-CB 3.31Å; E546-R550 VanDerWaalsContact O-CG 3.31Å; E546-R550 WeakPolarHBondContact O-CG 3.43Å; E546-R550 PolarHBondContact O-N 3.27Å; E546-R550 IonicContact OE1-CZ 2.79Å; E546-R550 IonicContact OE1-NH1 3.12Å; E546-R550 PolarHBondContact OE1-NH1 3.31Å; A547-R550 PolarHBondContact O-N 3.01Å
551	L	93.7	Very high	93.3	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.214	C	C	.	.	S	Bend	trans	-87	146.2	178.7	-70.2	173.8	0	0	0	111.7	K390 F452 L497 A547 N555 F556 W559	K390-L551 WeakPolarHBondContact CD-O 3.47Å; K390-L551 WeakPolarHBondContact CE-O 3.07Å; K390-L551 PolarHBondContact NZ-O 3.29Å; F452-L551 HydrophobicContact CB-CD2 3.58Å; F452-L551 HydrophobicContact CB-CG 4.02Å; F452-L551 HydrophobicContact CD1-CD1 3.78Å; F452-L551 HydrophobicContact CD1-CD2 3.58Å; F452-L551 HydrophobicContact CD1-CG 3.72Å; F452-L551 HydrophobicContact CD2-CG 4.39Å; F452-L551 HydrophobicContact CE1-CD1 3.8Å; F452-L551 HydrophobicContact CE1-CD2 4.44Å; F452-L551 HydrophobicContact CE1-CG 4.22Å; F452-L551 HydrophobicContact CG-CD1 4.32Å; F452-L551 HydrophobicContact CG-CD2 3.76Å; F452-L551 HydrophobicContact CG-CG 3.81Å; F452-L551 HydrophobicContact CZ-CD1 4.37Å; L497-L551 HydrophobicContact CD2-CD1 4.15Å; L497-L551 HydrophobicContact CD2-CD2 3.89Å; A547-L551 HydrophobicContact CB-CD1 4.31Å; A547-L551 VanDerWaalsContact O-CB 3.3Å; A547-L551 WeakPolarHBondContact O-CB 3.24Å; A547-L551 PolarHBondContact O-N 3.01Å; L551-N555 HydrophobicContact CB-CB 4.2Å; L551-N555 HydrophobicContact CD2-CB 3.96Å; L551-F556 HydrophobicContact CB-CB 4.01Å; L551-W559 HydrophobicContact CD1-CB 3.79Å; L551-W559 HydrophobicContact CD1-CD2 4.22Å; L551-W559 HydrophobicContact CD1-CE3 4.44Å; L551-W559 HydrophobicContact CD1-CG 3.95Å
552	S	92.3	Very high	93.3	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.028	20%	0.204	C	C	.	.			trans	-59.4	157.7	164.9	66.6	0	0	0	0	110.5	E388 N456 S554 N555 F556	E388-S552 WeakPolarHBondContact O-CB 3.37Å; N456-S552 PolarHBondContact OD1-N 3.4Å; N456-S552 VanDerWaalsContact OD1-N 3.1Å; S552-S554 VanDerWaalsContact C-N 3.26Å; S552-S554 PolarHBondContact O-N 3Å; S552-N555 PolarHBondContact O-N 3.34Å; S552-N555 VanDerWaalsContact O-N 3.13Å; S552-N555 WeakPolarHBondContact OG-CB 3.36Å; S552-N555 PolarHBondContact OG-N 2.85Å; S552-N555 PolarHBondContact OG-ND2 3Å; S552-F556 WeakPolarHBondContact O-CB 3.3Å; S552-F556 PolarHBondContact O-N 2.84Å
553	T	91.5	Very high	93.4	Very high	78 Å²	78	34 Å²	34	48%	0.479	17%	0.173	S	C	.	.	H	α-helix	trans	-55.5	-42.3	-177.6	-54.8	0	0	0	0	112.3	A557 I607	T553-A557 PolarHBondContact O-N 3.19Å; T553-I607 HydrophobicContact CG2-CG2 3.92Å
554	S	92.1	Very high	93.4	Very high	45 Å²	45	33.6 Å²	33.6	32%	0.315	17%	0.172	S	C	.	.	H	α-helix	trans	-63.4	-49.2	176.2	177.5	0	0	0	0	112.1	S552 F556 A557 I558	S552-S554 VanDerWaalsContact C-N 3.26Å; S552-S554 PolarHBondContact O-N 3Å; S554-F556 VanDerWaalsContact C-N 3.33Å; S554-F556 PolarHBondContact O-N 2.87Å; S554-A557 WeakPolarHBondContact O-CB 3.26Å; S554-A557 PolarHBondContact O-N 2.93Å; S554-I558 WeakPolarHBondContact O-CG1 3.48Å; S554-I558 PolarHBondContact O-N 3.17Å
555	N	95.2	Very high	93.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.8	-35.9	179.3	-75.5	-16.5	0	0	0	112.5	A455 N456 R493 L497 L551 S552 A557 I558 W559	A455-N555 PolarHBondContact O-ND2 3.29Å; N456-N555 VanDerWaalsContact CA-ND2 3.33Å; N456-N555 WeakPolarHBondContact CA-ND2 3.49Å; N456-N555 PolarHBondContact N-ND2 3.34Å; N456-N555 PolarHBondContact OD1-ND2 3Å; R493-N555 WeakPolarHBondContact CD-OD1 3.5Å; L497-N555 HydrophobicContact CD1-CB 4.32Å; L551-N555 HydrophobicContact CB-CB 4.2Å; L551-N555 HydrophobicContact CD2-CB 3.96Å; S552-N555 PolarHBondContact O-N 3.34Å; S552-N555 VanDerWaalsContact O-N 3.13Å; S552-N555 WeakPolarHBondContact OG-CB 3.36Å; S552-N555 PolarHBondContact OG-N 2.85Å; S552-N555 PolarHBondContact OG-ND2 3Å; N555-A557 VanDerWaalsContact C-N 3.34Å; N555-I558 PolarHBondContact O-N 3.32Å; N555-W559 VanDerWaalsContact O-CB 3.27Å; N555-W559 WeakPolarHBondContact O-CB 3.36Å; N555-W559 PolarHBondContact O-N 3.37Å
556	F	95	Very high	93.4	Very high	3 Å²	3	39.2 Å²	39.2	1%	0.013	19%	0.191	C	C	.	.	H	α-helix	trans	-61.6	-44.4	174	-179.3	-98.8	0	0	0	110.7	A547 Q548 L551 S552 S554 I558 W559 L560 A603 I607	A547-F556 HydrophobicContact CB-CD2 4.02Å; A547-F556 HydrophobicContact CB-CE2 3.96Å; Q548-F556 HydrophobicContact CB-CD2 4.08Å; Q548-F556 HydrophobicContact CB-CE2 3.68Å; Q548-F556 HydrophobicContact CB-CZ 3.99Å; Q548-F556 HydrophobicContact CG-CE2 4.41Å; Q548-F556 HydrophobicContact CG-CZ 4.35Å; L551-F556 HydrophobicContact CB-CB 4.01Å; S552-F556 WeakPolarHBondContact O-CB 3.3Å; S552-F556 PolarHBondContact O-N 2.84Å; S554-F556 VanDerWaalsContact C-N 3.33Å; S554-F556 PolarHBondContact O-N 2.87Å; F556-I558 PolarHBondContact O-N 2.88Å; F556-W559 HydrophobicContact CD2-CE3 4.09Å; F556-W559 HydrophobicContact CD2-CZ3 4.3Å; F556-W559 HydrophobicContact CE2-CE3 4.09Å; F556-W559 AromaticContact CE2-CZ3 3.86Å; F556-W559 HydrophobicContact CE2-CZ3 3.86Å; F556-W559 PolarHBondContact O-N 3.36Å; F556-L560 HydrophobicContact CE1-CB 4.48Å; F556-L560 HydrophobicContact CE1-CD2 3.83Å; F556-L560 HydrophobicContact CZ-CD2 4.27Å; F556-L560 WeakPolarHBondContact O-CB 3.44Å; F556-L560 PolarHBondContact O-N 3.4Å; F556-A603 HydrophobicContact CZ-CB 4.33Å; F556-I607 HydrophobicContact CD1-CD1 3.37Å; F556-I607 HydrophobicContact CE1-CD1 3.33Å
557	A	93.3	Very high	93.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-42.3	176.5	0	0	0	0	0	112.7	T553 S554 N555 K561 H609 L612	T553-A557 PolarHBondContact O-N 3.19Å; S554-A557 WeakPolarHBondContact O-CB 3.26Å; S554-A557 PolarHBondContact O-N 2.93Å; N555-A557 VanDerWaalsContact C-N 3.34Å; A557-K561 PolarHBondContact O-N 3.24Å; A557-K561 VanDerWaalsContact O-N 3.15Å; A557-H609 HydrophobicContact CB-CB 3.72Å; A557-H609 VanDerWaalsContact CB-CG 3.49Å; A557-L612 HydrophobicContact CB-CD1 3.71Å; A557-L612 HydrophobicContact CB-CG 3.93Å
558	I	94.3	Very high	93.5	Very high	26 Å²	26	38 Å²	38	13%	0.133	19%	0.186	C	C	.	.	H	α-helix	trans	-63.6	-50.6	175.8	-64.7	166.9	0	0	0	110.4	L497 S554 N555 F556 L560 K561 V562 I611	L497-I558 HydrophobicContact CD1-CB 4.07Å; L497-I558 HydrophobicContact CD1-CG2 3.82Å; S554-I558 WeakPolarHBondContact O-CG1 3.48Å; S554-I558 PolarHBondContact O-N 3.17Å; N555-I558 PolarHBondContact O-N 3.32Å; F556-I558 PolarHBondContact O-N 2.88Å; I558-L560 PolarHBondContact O-N 2.87Å; I558-K561 PolarHBondContact O-N 3.03Å; I558-V562 WeakPolarHBondContact O-CG2 3.29Å; I558-V562 PolarHBondContact O-N 3.44Å; I558-V562 VanDerWaalsContact O-N 3.16Å; I558-I611 HydrophobicContact CG1-CD1 4.04Å
559	W	96.1	Very high	93.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.7	-44.9	-179.7	174.4	78.7	0	0	0	112.2	F452 L497 M543 L544 A547 L551 N555 F556 K561 V562 L563	F452-W559 HydrophobicContact CE1-CG 4.48Å; F452-W559 AromaticContact CE1-NE1 3.9Å; F452-W559 HydrophobicContact CZ-CZ2 4.22Å; L497-W559 HydrophobicContact CB-CB 4.31Å; L497-W559 HydrophobicContact CD1-CB 4.22Å; L497-W559 HydrophobicContact CD2-CB 4.11Å; L497-W559 HydrophobicContact CD2-CG 4.49Å; L497-W559 HydrophobicContact CG-CB 4.43Å; M543-W559 HydrophobicContact CG-CH2 3.84Å; M543-W559 HydrophobicContact CG-CZ2 3.89Å; M543-W559 HydrophobicContact SD-CH2 3.86Å; M543-W559 HydrophobicContact SD-CZ2 3.65Å; L544-W559 HydrophobicContact CD2-CH2 4.29Å; L544-W559 HydrophobicContact CD2-CZ3 3.97Å; A547-W559 HydrophobicContact CB-CD2 4.25Å; A547-W559 HydrophobicContact CB-CE3 3.7Å; A547-W559 HydrophobicContact CB-CH2 3.4Å; A547-W559 HydrophobicContact CB-CZ2 4.01Å; A547-W559 HydrophobicContact CB-CZ3 3.25Å; L551-W559 HydrophobicContact CD1-CB 3.79Å; L551-W559 HydrophobicContact CD1-CD2 4.22Å; L551-W559 HydrophobicContact CD1-CE3 4.44Å; L551-W559 HydrophobicContact CD1-CG 3.95Å; N555-W559 VanDerWaalsContact O-CB 3.27Å; N555-W559 WeakPolarHBondContact O-CB 3.36Å; N555-W559 PolarHBondContact O-N 3.37Å; F556-W559 HydrophobicContact CD2-CE3 4.09Å; F556-W559 HydrophobicContact CD2-CZ3 4.3Å; F556-W559 HydrophobicContact CE2-CE3 4.09Å; F556-W559 AromaticContact CE2-CZ3 3.86Å; F556-W559 HydrophobicContact CE2-CZ3 3.86Å; F556-W559 PolarHBondContact O-N 3.36Å; W559-K561 VanDerWaalsContact C-N 3.29Å; W559-K561 PolarHBondContact O-N 3.45Å; W559-V562 PolarHBondContact O-N 3.49Å; W559-V562 VanDerWaalsContact O-N 3.11Å; W559-L563 HydrophobicContact CH2-CD2 3.5Å; W559-L563 HydrophobicContact CZ2-CD1 4.4Å; W559-L563 HydrophobicContact CZ2-CD2 3.81Å; W559-L563 HydrophobicContact CZ3-CD2 3.92Å; W559-L563 WeakPolarHBondContact O-CB 3.39Å; W559-L563 PolarHBondContact O-N 2.9Å
560	L	94.8	Very high	93.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.7	-41.8	179.4	-177	62.3	0	0	0	110.9	L544 F556 I558 V562 L563 M564 F600 A603 C604 L612	L544-L560 HydrophobicContact CD2-CD1 3.49Å; L544-L560 VanDerWaalsContact CD2-CD1 3.49Å; F556-L560 HydrophobicContact CE1-CB 4.48Å; F556-L560 HydrophobicContact CE1-CD2 3.83Å; F556-L560 HydrophobicContact CZ-CD2 4.27Å; F556-L560 WeakPolarHBondContact O-CB 3.44Å; F556-L560 PolarHBondContact O-N 3.4Å; I558-L560 PolarHBondContact O-N 2.87Å; L560-V562 PolarHBondContact O-N 3.41Å; L560-L563 PolarHBondContact O-N 3.2Å; L560-M564 HydrophobicContact CD1-CE 3.86Å; L560-M564 HydrophobicContact CD2-CE 3.73Å; L560-M564 HydrophobicContact CG-CE 3.51Å; L560-M564 VanDerWaalsContact O-CG 3.3Å; L560-M564 WeakPolarHBondContact O-CG 3.37Å; L560-M564 PolarHBondContact O-N 3.17Å; L560-F600 HydrophobicContact CD1-CD1 3.88Å; L560-F600 HydrophobicContact CD1-CE1 4.37Å; L560-A603 HydrophobicContact CD1-CB 4.22Å; L560-A603 HydrophobicContact CD2-CB 4.09Å; L560-C604 VanDerWaalsContact CD2-SG 3.55Å; L560-L612 HydrophobicContact CD2-CD1 4.32Å; L560-L612 HydrophobicContact CD2-CD2 4.28Å
561	K	92.8	Very high	94.1	Very high	96 Å²	96	26.6 Å²	26.6	42%	0.417	14%	0.138	S	C	.	.	H	α-helix	trans	-60.3	-45.1	174.3	167.6	168.3	-172.8	175.8	0	112.8	A557 I558 W559 K565 I611 M615	A557-K561 PolarHBondContact O-N 3.24Å; A557-K561 VanDerWaalsContact O-N 3.15Å; I558-K561 PolarHBondContact O-N 3.03Å; W559-K561 VanDerWaalsContact C-N 3.29Å; W559-K561 PolarHBondContact O-N 3.45Å; K561-K565 PolarHBondContact O-N 2.92Å; K561-I611 HydrophobicContact CB-CG2 4.3Å; K561-I611 HydrophobicContact CD-CG2 3.28Å; K561-I611 HydrophobicContact CG-CG2 4.42Å; K561-M615 VanDerWaalsContact CA-CE 3.46Å; K561-M615 HydrophobicContact CB-CE 3.67Å; K561-M615 HydrophobicContact CB-SD 3.7Å; K561-M615 HydrophobicContact CD-CE 4.49Å; K561-M615 HydrophobicContact CD-SD 3.47Å; K561-M615 WeakPolarHBondContact CD-SD 3.49Å; K561-M615 HydrophobicContact CG-CE 3.77Å; K561-M615 HydrophobicContact CG-SD 3.39Å; K561-M615 WeakPolarHBondContact CG-SD 3.49Å
562	V	94.4	Very high	94.1	Very high	38 Å²	38	26.6 Å²	26.6	23%	0.23	14%	0.138	C	C	.	.	H	α-helix	trans	-65.1	-45.3	177.8	178.9	0	0	0	0	110.2	C498 A501 I558 W559 L560 M564 K565 E566	C498-V562 HydrophobicContact CB-CG1 4.29Å; A501-V562 HydrophobicContact CB-CB 4.45Å; A501-V562 HydrophobicContact CB-CG1 3.92Å; I558-V562 WeakPolarHBondContact O-CG2 3.29Å; I558-V562 PolarHBondContact O-N 3.44Å; I558-V562 VanDerWaalsContact O-N 3.16Å; W559-V562 PolarHBondContact O-N 3.49Å; W559-V562 VanDerWaalsContact O-N 3.11Å; L560-V562 PolarHBondContact O-N 3.41Å; V562-M564 PolarHBondContact O-N 2.96Å; V562-K565 PolarHBondContact O-N 2.77Å; V562-E566 HydrophobicContact CG1-CG 4.08Å; V562-E566 WeakPolarHBondContact O-CB 3.3Å; V562-E566 WeakPolarHBondContact O-CG 3.19Å; V562-E566 PolarHBondContact O-N 3.39Å
563	L	95.4	Very high	94.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57	-50.4	178.8	-178.5	69.8	0	0	0	111.9	A501 V505 M543 L544 W559 L560 K565 E566 C567 F600	A501-L563 HydrophobicContact CB-CB 4.34Å; A501-L563 HydrophobicContact CB-CD1 4.33Å; V505-L563 HydrophobicContact CG2-CD1 3.61Å; M543-L563 HydrophobicContact SD-CD1 3.92Å; M543-L563 HydrophobicContact SD-CD2 3.99Å; L544-L563 HydrophobicContact CD2-CD2 4.01Å; W559-L563 HydrophobicContact CH2-CD2 3.5Å; W559-L563 HydrophobicContact CZ2-CD1 4.4Å; W559-L563 HydrophobicContact CZ2-CD2 3.81Å; W559-L563 HydrophobicContact CZ3-CD2 3.92Å; W559-L563 WeakPolarHBondContact O-CB 3.39Å; W559-L563 PolarHBondContact O-N 2.9Å; L560-L563 PolarHBondContact O-N 3.2Å; L563-K565 VanDerWaalsContact C-N 3.32Å; L563-K565 PolarHBondContact O-N 3.43Å; L563-E566 PolarHBondContact O-N 3.13Å; L563-C567 WeakPolarHBondContact O-CB 3.28Å; L563-C567 PolarHBondContact O-N 3.32Å; L563-C567 PolarHBondContact O-SG 3.32Å; L563-C567 VanDerWaalsContact O-SG 3.34Å; L563-F600 HydrophobicContact CD2-CE1 3.82Å; L563-F600 HydrophobicContact CD2-CZ 4.48Å; L563-F600 HydrophobicContact CG-CE1 4.11Å
564	M	93.4	Very high	94.1	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-58.6	-44.3	-179.9	-67.8	180	-168.6	0	0	111.7	L560 V562 C567 E568 F600 C604 M615 C619 F620	L560-M564 HydrophobicContact CD1-CE 3.86Å; L560-M564 HydrophobicContact CD2-CE 3.73Å; L560-M564 HydrophobicContact CG-CE 3.51Å; L560-M564 VanDerWaalsContact O-CG 3.3Å; L560-M564 WeakPolarHBondContact O-CG 3.37Å; L560-M564 PolarHBondContact O-N 3.17Å; V562-M564 PolarHBondContact O-N 2.96Å; M564-C567 PolarHBondContact O-N 3.04Å; M564-E568 PolarHBondContact O-N 2.68Å; M564-F600 HydrophobicContact CE-CB 3.64Å; M564-F600 HydrophobicContact CE-CD1 3.94Å; M564-F600 HydrophobicContact CE-CG 4.23Å; M564-F600 HydrophobicContact CG-CB 4.28Å; M564-F600 HydrophobicContact CG-CD1 3.35Å; M564-F600 HydrophobicContact CG-CE1 3.83Å; M564-F600 HydrophobicContact CG-CG 3.96Å; M564-F600 HydrophobicContact SD-CB 4.28Å; M564-F600 HydrophobicContact SD-CD1 4.33Å; M564-C604 WeakPolarHBondContact CE-SG 3.45Å; M564-M615 HydrophobicContact CB-CE 4.37Å; M564-M615 HydrophobicContact CG-CE 4.46Å; M564-M615 HydrophobicContact SD-CE 3.47Å; M564-M615 WeakPolarHBondContact SD-CE 3.35Å; M564-C619 HydrophobicContact CB-CB 4.16Å; M564-C619 WeakPolarHBondContact CB-SG 3.5Å; M564-C619 HydrophobicContact SD-CB 4.08Å; M564-F620 HydrophobicContact CB-CE2 4.46Å; M564-F620 HydrophobicContact CB-CZ 4.16Å; M564-F620 HydrophobicContact CG-CE2 4.36Å; M564-F620 HydrophobicContact CG-CZ 4.36Å
565	K	92.8	Very high	94.1	Very high	131 Å²	131	29.3 Å²	29.3	57%	0.57	14%	0.142	S	C	*	.	H	α-helix	trans	-66.4	-43.4	179.6	-174.8	173.4	-179.4	178.7	0	112.2	K561 V562 L563 E568 N569	K561-K565 PolarHBondContact O-N 2.92Å; V562-K565 PolarHBondContact O-N 2.77Å; L563-K565 VanDerWaalsContact C-N 3.32Å; L563-K565 PolarHBondContact O-N 3.43Å; K565-E568 PolarHBondContact O-N 3.33Å; K565-N569 VanDerWaalsContact O-CG 3.26Å; K565-N569 PolarHBondContact O-N 2.9Å; K565-N569 PolarHBondContact O-ND2 3.2Å
566	E	94.9	Very high	93.9	Very high	57 Å²	57	29.4 Å²	29.4	27%	0.266	14%	0.142	S	C	.	.	H	α-helix	trans	-63.9	-42.9	176.3	-72.5	-66.3	114.2	0	0	111.1	S502 V505 V562 L563 N569 A570	S502-E566 PolarHBondContact OG-OE2 2.84Å; V505-E566 HydrophobicContact CB-CB 4.33Å; V505-E566 HydrophobicContact CG1-CB 4.38Å; V505-E566 HydrophobicContact CG2-CB 3.84Å; V562-E566 HydrophobicContact CG1-CG 4.08Å; V562-E566 WeakPolarHBondContact O-CB 3.3Å; V562-E566 WeakPolarHBondContact O-CG 3.19Å; V562-E566 PolarHBondContact O-N 3.39Å; L563-E566 PolarHBondContact O-N 3.13Å; E566-N569 PolarHBondContact O-N 2.92Å; E566-A570 VanDerWaalsContact O-CB 3.28Å; E566-A570 WeakPolarHBondContact O-CB 3.22Å; E566-A570 PolarHBondContact O-N 3.32Å
567	C	94.7	Very high	93.8	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.02	14%	0.144	C	C	.	.	H	α-helix	trans	-57.2	-49.6	173.9	-78.3	0	0	0	0	111.5	V505 L563 M564 N569 A570 L571 F596 F620	V505-C567 VanDerWaalsContact CG2-SG 3.52Å; L563-C567 WeakPolarHBondContact O-CB 3.28Å; L563-C567 PolarHBondContact O-N 3.32Å; L563-C567 PolarHBondContact O-SG 3.32Å; L563-C567 VanDerWaalsContact O-SG 3.34Å; M564-C567 PolarHBondContact O-N 3.04Å; C567-N569 PolarHBondContact O-N 2.94Å; C567-A570 PolarHBondContact O-N 3Å; C567-L571 VanDerWaalsContact O-CB 3.28Å; C567-L571 WeakPolarHBondContact O-CB 3.28Å; C567-L571 WeakPolarHBondContact O-CG 3.27Å; C567-L571 PolarHBondContact O-N 3.17Å; C567-F596 HydrophobicContact CB-CZ 4.19Å; C567-F620 HydrophobicContact CB-CE1 3.96Å; C567-F620 HydrophobicContact CB-CZ 4.29Å
568	E	94.4	Very high	93.6	Very high	19 Å²	19	32 Å²	32	9%	0.089	16%	0.158	C	C	.	.	H	α-helix	trans	-60.5	-48.6	180	-164.3	-165.7	-137.7	0	0	111.3	M564 K565 I572 F620 Q621 R622 L623	M564-E568 PolarHBondContact O-N 2.68Å; K565-E568 PolarHBondContact O-N 3.33Å; E568-I572 HydrophobicContact CG-CD1 3.94Å; E568-I572 WeakPolarHBondContact O-CB 3.42Å; E568-I572 VanDerWaalsContact O-CG1 3.26Å; E568-I572 WeakPolarHBondContact O-CG1 3.41Å; E568-I572 PolarHBondContact O-N 3.07Å; E568-F620 HydrophobicContact CB-CD1 3.95Å; E568-F620 HydrophobicContact CB-CE1 4.16Å; E568-F620 HydrophobicContact CG-CD1 4.16Å; E568-F620 VanDerWaalsContact OE1-C 3.23Å; E568-F620 VanDerWaalsContact OE1-CA 3.3Å; E568-F620 WeakPolarHBondContact OE1-CA 3.33Å; E568-Q621 PolarHBondContact OE1-N 3.33Å; E568-R622 WeakPolarHBondContact OE1-CA 3.15Å; E568-R622 WeakPolarHBondContact OE1-CB 3.43Å; E568-R622 PolarHBondContact OE1-N 3.16Å; E568-R622 IonicContact OE2-CZ 2.87Å; E568-R622 IonicContact OE2-NE 3.74Å; E568-R622 PolarHBondContact OE2-NE 2.79Å; E568-R622 IonicContact OE2-NH2 4Å; E568-R622 PolarHBondContact OE2-NH2 3.27Å; E568-L623 HydrophobicContact CG-CB 3.76Å; E568-L623 PolarHBondContact OE1-N 3.33Å; E568-L623 VanDerWaalsContact OE1-N 3.13Å
569	N	94.6	Very high	93.4	Very high	41 Å²	41	30.8 Å²	30.8	22%	0.219	15%	0.151	C	C	.	.	H	α-helix	trans	-58.7	-50.7	178.2	-70.8	-28	0	0	0	111.5	K565 E566 C567 I572 D573 R622	K565-N569 VanDerWaalsContact O-CG 3.26Å; K565-N569 PolarHBondContact O-N 2.9Å; K565-N569 PolarHBondContact O-ND2 3.2Å; E566-N569 PolarHBondContact O-N 2.92Å; C567-N569 PolarHBondContact O-N 2.94Å; N569-I572 PolarHBondContact O-N 3.47Å; N569-D573 WeakPolarHBondContact O-CB 3.26Å; N569-D573 PolarHBondContact O-N 3.44Å; N569-R622 PolarHBondContact OD1-NH2 2.93Å
570	A	95.2	Very high	93.1	Very high	11 Å²	11	36.2 Å²	36.2	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-66.9	-42.2	-175.9	0	0	0	0	0	112.3	V505 T509 E566 C567 I572 K574	V505-A570 HydrophobicContact CG1-CB 3.37Å; T509-A570 HydrophobicContact CG2-CB 4.25Å; T509-A570 WeakPolarHBondContact OG1-CB 3.23Å; E566-A570 VanDerWaalsContact O-CB 3.28Å; E566-A570 WeakPolarHBondContact O-CB 3.22Å; E566-A570 PolarHBondContact O-N 3.32Å; C567-A570 PolarHBondContact O-N 3Å; A570-I572 VanDerWaalsContact C-N 3.32Å; A570-I572 PolarHBondContact O-N 3.31Å; A570-K574 WeakPolarHBondContact O-CA 3.47Å; A570-K574 VanDerWaalsContact O-CB 3.26Å; A570-K574 WeakPolarHBondContact O-CB 3.27Å; A570-K574 PolarHBondContact O-N 3.47Å
571	L	94.3	Very high	92.9	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	18%	0.178	C	C	.	.	I	π-helix	trans	-64.1	-38	176.7	-71.3	173.2	0	0	0	111.4	L512 C567 F575 I576 F593 F596 L623	L512-L571 HydrophobicContact CD2-CD2 3.54Å; C567-L571 VanDerWaalsContact O-CB 3.28Å; C567-L571 WeakPolarHBondContact O-CB 3.28Å; C567-L571 WeakPolarHBondContact O-CG 3.27Å; C567-L571 PolarHBondContact O-N 3.17Å; L571-F575 WeakPolarHBondContact O-CB 3.48Å; L571-F575 PolarHBondContact O-N 2.91Å; L571-I576 WeakPolarHBondContact O-CG1 3.32Å; L571-I576 PolarHBondContact O-N 3.26Å; L571-F593 HydrophobicContact CD1-CE1 4.11Å; L571-F593 HydrophobicContact CD2-CE1 4.18Å; L571-F596 HydrophobicContact CD1-CD1 4.4Å; L571-F596 HydrophobicContact CD1-CE1 3.71Å; L571-F596 HydrophobicContact CD1-CZ 4.15Å; L571-L623 HydrophobicContact CB-CD1 4.26Å; L571-L623 HydrophobicContact CB-CD2 3.98Å; L571-L623 HydrophobicContact CD1-CD2 3.67Å; L571-L623 HydrophobicContact CG-CD2 4.5Å
572	I	94.7	Very high	92.9	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.169	C	C	.	.	I	π-helix	trans	-67.1	-58.9	174.5	-68.1	170.5	0	0	0	110.1	E568 N569 A570 I576 L577 R622 L623	E568-I572 HydrophobicContact CG-CD1 3.94Å; E568-I572 WeakPolarHBondContact O-CB 3.42Å; E568-I572 VanDerWaalsContact O-CG1 3.26Å; E568-I572 WeakPolarHBondContact O-CG1 3.41Å; E568-I572 PolarHBondContact O-N 3.07Å; N569-I572 PolarHBondContact O-N 3.47Å; A570-I572 VanDerWaalsContact C-N 3.32Å; A570-I572 PolarHBondContact O-N 3.31Å; I572-I576 PolarHBondContact O-N 3.41Å; I572-L577 HydrophobicContact CG2-CD1 4.13Å; I572-L577 HydrophobicContact CG2-CG 4.1Å; I572-L577 WeakPolarHBondContact O-CB 3.28Å; I572-L577 VanDerWaalsContact O-CG 3.3Å; I572-L577 WeakPolarHBondContact O-CG 3.49Å; I572-L577 PolarHBondContact O-N 3.45Å; I572-R622 HydrophobicContact CD1-CB 4.15Å; I572-R622 HydrophobicContact CD1-CG 3.97Å; I572-R622 VanDerWaalsContact CD1-NE 3.28Å; I572-L623 HydrophobicContact CD1-CB 4.18Å; I572-L623 HydrophobicContact CG1-CB 4.16Å; I572-L623 HydrophobicContact CG1-CD1 3.91Å
573	D	93.5	Very high	92.8	Very high	91 Å²	91	35.6 Å²	35.6	49%	0.487	17%	0.174	S	C	.	.	I	π-helix	trans	-74.5	-40.8	-166.1	-70.4	-24.3	0	0	0	113.3	N569	N569-D573 WeakPolarHBondContact O-CB 3.26Å; N569-D573 PolarHBondContact O-N 3.44Å
574	K	90.2	Very high	92.6	Very high	94 Å²	94	43 Å²	43	41%	0.409	20%	0.202	S	C	.	.	I	π-helix	trans	-95.2	-20	-173.7	-57.4	-176.5	176	177.9	0	113.5	H506 T509 A570 T578	H506-K574 PolarHBondContact ND1-NZ 2.76Å; T509-K574 HydrophobicContact CG2-CB 3.79Å; T509-K574 HydrophobicContact CG2-CD 4.28Å; A570-K574 WeakPolarHBondContact O-CA 3.47Å; A570-K574 VanDerWaalsContact O-CB 3.26Å; A570-K574 WeakPolarHBondContact O-CB 3.27Å; A570-K574 PolarHBondContact O-N 3.47Å; K574-T578 PolarHBondContact O-OG1 2.98Å
575	F	91.3	Very high	92.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-114.8	-73.3	-180	-179.4	-106.5	0	0	0	111.6	L512 L516 I520 L571 L577 T578 V579 L589 F593	L512-F575 HydrophobicContact CD2-CD1 4.23Å; L512-F575 HydrophobicContact CD2-CD2 4.44Å; L512-F575 HydrophobicContact CD2-CG 4.22Å; L516-F575 HydrophobicContact CB-CE2 4.16Å; L516-F575 HydrophobicContact CB-CZ 4.38Å; L516-F575 HydrophobicContact CD2-CE1 4.05Å; L516-F575 HydrophobicContact CD2-CE2 3.89Å; L516-F575 HydrophobicContact CD2-CZ 3.31Å; L516-F575 HydrophobicContact CG-CE2 4.12Å; L516-F575 HydrophobicContact CG-CZ 3.85Å; I520-F575 HydrophobicContact CD1-CZ 4.15Å; L571-F575 WeakPolarHBondContact O-CB 3.48Å; L571-F575 PolarHBondContact O-N 2.91Å; F575-L577 PolarHBondContact O-N 2.94Å; F575-T578 WeakPolarHBondContact O-CA 3.49Å; F575-T578 PolarHBondContact O-N 3.36Å; F575-T578 PolarHBondContact O-OG1 3.17Å; F575-V579 HydrophobicContact CD2-CG2 4.06Å; F575-V579 HydrophobicContact CE1-CG2 4.19Å; F575-V579 HydrophobicContact CE2-CG2 3.66Å; F575-V579 HydrophobicContact CG-CG2 4.46Å; F575-V579 HydrophobicContact CZ-CG2 3.71Å; F575-V579 WeakPolarHBondContact O-CG2 3.28Å; F575-V579 PolarHBondContact O-N 3.06Å; F575-L589 HydrophobicContact CE1-CD2 4.48Å; F575-L589 HydrophobicContact CZ-CD2 4.34Å; F575-F593 HydrophobicContact CD1-CZ 4.3Å; F575-F593 HydrophobicContact CE1-CE2 4.26Å; F575-F593 HydrophobicContact CE1-CZ 4.09Å
576	I	92.4	Very high	92.4	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-55.7	-45.2	-171.2	-64.4	-63.5	0	0	0	112.9	L571 I572 T578 V579 L623 C626 L627 L630 I676	L571-I576 WeakPolarHBondContact O-CG1 3.32Å; L571-I576 PolarHBondContact O-N 3.26Å; I572-I576 PolarHBondContact O-N 3.41Å; I576-T578 PolarHBondContact O-N 3.3Å; I576-T578 VanDerWaalsContact O-N 3.14Å; I576-V579 PolarHBondContact O-N 3Å; I576-L623 HydrophobicContact CD1-CD1 4.39Å; I576-L623 HydrophobicContact CG1-CD1 3.75Å; I576-C626 HydrophobicContact CG2-CB 3.96Å; I576-L627 HydrophobicContact CD1-CD2 3.68Å; I576-L627 HydrophobicContact CD1-CG 4.41Å; I576-L630 HydrophobicContact CD1-CD1 3.95Å; I576-L630 HydrophobicContact CG2-CD1 3.81Å; I576-I676 HydrophobicContact CG2-CD1 4.25Å; I576-I676 HydrophobicContact CG2-CG1 4.38Å
577	L	92.3	Very high	92.2	Very high	11 Å²	11	36.3 Å²	36.3	6%	0.058	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-71.3	-4	179.9	-67	-173.4	0	0	0	114.4	I572 F575 I672 K675 I676 N679	I572-L577 HydrophobicContact CG2-CD1 4.13Å; I572-L577 HydrophobicContact CG2-CG 4.1Å; I572-L577 WeakPolarHBondContact O-CB 3.28Å; I572-L577 VanDerWaalsContact O-CG 3.3Å; I572-L577 WeakPolarHBondContact O-CG 3.49Å; I572-L577 PolarHBondContact O-N 3.45Å; F575-L577 PolarHBondContact O-N 2.94Å; L577-I672 HydrophobicContact CD1-CG1 4.44Å; L577-I672 HydrophobicContact CD2-CG2 4.23Å; L577-K675 HydrophobicContact CB-CD 4.13Å; L577-K675 HydrophobicContact CD1-CD 4.21Å; L577-K675 HydrophobicContact CD2-CB 4.08Å; L577-K675 HydrophobicContact CD2-CD 4.35Å; L577-K675 HydrophobicContact CD2-CG 4.36Å; L577-K675 HydrophobicContact CG-CD 4.47Å; L577-I676 HydrophobicContact CD2-CD1 4.21Å; L577-I676 HydrophobicContact CD2-CG1 3.65Å; L577-N679 PolarHBondContact O-ND2 3.11Å
578	T	89.7	Confident	92.1	Very high	47 Å²	47	40 Å²	40	29%	0.288	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-111.3	-13.5	-179.9	73.1	0	0	0	0	113.4	K574 F575 I576	K574-T578 PolarHBondContact O-OG1 2.98Å; F575-T578 WeakPolarHBondContact O-CA 3.49Å; F575-T578 PolarHBondContact O-N 3.36Å; F575-T578 PolarHBondContact O-OG1 3.17Å; I576-T578 PolarHBondContact O-N 3.3Å; I576-T578 VanDerWaalsContact O-N 3.14Å
579	V	89.8	Confident	91.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.193	C	C	.	.			trans	-80.9	124.4	-178.3	169.1	0	0	0	0	110.2	L517 I520 F575 I576 C581 L589 N679	L517-V579 HydrophobicContact CD1-CG2 4.39Å; I520-V579 HydrophobicContact CD1-CG1 3.86Å; I520-V579 HydrophobicContact CD1-CG2 4.07Å; I520-V579 HydrophobicContact CG2-CG1 4.38Å; F575-V579 HydrophobicContact CD2-CG2 4.06Å; F575-V579 HydrophobicContact CE1-CG2 4.19Å; F575-V579 HydrophobicContact CE2-CG2 3.66Å; F575-V579 HydrophobicContact CG-CG2 4.46Å; F575-V579 HydrophobicContact CZ-CG2 3.71Å; F575-V579 WeakPolarHBondContact O-CG2 3.28Å; F575-V579 PolarHBondContact O-N 3.06Å; I576-V579 PolarHBondContact O-N 3Å; V579-C581 HydrophobicContact CG1-CB 3.93Å; V579-L589 HydrophobicContact CG1-CD1 4.36Å; V579-N679 VanDerWaalsContact O-CB 3.31Å; V579-N679 WeakPolarHBondContact O-CB 3.42Å
580	H	90.1	Very high	91.8	Very high	114 Å²	114	40.6 Å²	40.6	53%	0.528	20%	0.197	S	C	.	.			trans	-97.2	118.6	168.2	-68.1	-82.4	0	0	0	109.7	N679 T681	H580-N679 WeakPolarHBondContact CA-O 3.46Å; H580-N679 PolarHBondContact CE1-OD1 2.91Å; H580-T681 HydrophobicContact CB-CG2 3.96Å
581	C	90.2	Very high	91.6	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.027	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-156.3	166.5	-174.3	68.8	0	0	0	0	113.9	I520 V579 V585 N679 R680 T681	I520-C581 HydrophobicContact CG2-CB 4.44Å; V579-C581 HydrophobicContact CG1-CB 3.93Å; C581-V585 HydrophobicContact CB-CB 3.73Å; C581-V585 HydrophobicContact CB-CG1 3.38Å; C581-N679 PolarHBondContact N-O 3.31Å; C581-R680 CarbonylContact O-C 3.53Å; C581-R680 VanDerWaalsContact O-CA 3.26Å; C581-R680 WeakPolarHBondContact O-CA 3.36Å; C581-T681 PolarHBondContact O-N 3.44Å; C581-T681 PolarHBondContact O-OG1 3.44Å
582	D	92	Very high	91.3	Very high	45 Å²	45	47.5 Å²	47.5	24%	0.241	23%	0.227	C	C	.	.			trans	-92.7	176.9	172.5	66.5	24	0	0	0	112.1	R584 V585 G586 T681 D682	D582-R584 PolarHBondContact O-N 2.82Å; D582-R584 WeakPolarHBondContact OD1-CA 3.49Å; D582-R584 WeakPolarHBondContact OD1-CB 3.43Å; D582-R584 PolarHBondContact OD1-N 3.28Å; D582-V585 PolarHBondContact O-N 3.49Å; D582-V585 PolarHBondContact OD1-N 3.25Å; D582-G586 PolarHBondContact O-N 2.7Å; D582-T681 PolarHBondContact N-OG1 3.38Å; D582-D682 HydrophobicContact CB-CB 3.95Å
583	Q	92.8	Very high	91.1	Very high	72 Å²	72	47.5 Å²	47.5	34%	0.336	23%	0.227	S	C	.	.	H	α-helix	trans	-52.8	-38.4	177.3	-171.7	178.4	-5	0	0	113.1	G586 A587 S631 S632 D682	Q583-G586 PolarHBondContact O-N 3.14Å; Q583-A587 WeakPolarHBondContact O-CB 3.44Å; Q583-A587 PolarHBondContact O-N 3.16Å; Q583-S631 WeakPolarHBondContact CG-O 3.28Å; Q583-S631 PolarHBondContact NE2-O 3.3Å; Q583-S632 WeakPolarHBondContact CG-O 3.39Å; Q583-D682 WeakPolarHBondContact CB-OD2 3.38Å; Q583-D682 PolarHBondContact N-OD2 2.78Å
584	R	90.3	Very high	90.9	Very high	155 Å²	155	46 Å²	46	59%	0.585	22%	0.222	S	C	*	.	H	α-helix	trans	-71.3	-47.3	-172.2	179.9	179.6	165.9	-177.5	-11.8	110.3	E525 D582 G586 A587 K588	E525-R584 WeakPolarHBondContact OE1-CD 3.23Å; E525-R584 IonicContact OE1-CZ 2.95Å; E525-R584 IonicContact OE1-NE 3.78Å; E525-R584 PolarHBondContact OE1-NE 3.15Å; E525-R584 IonicContact OE1-NH2 3.62Å; E525-R584 IonicContact OE2-CZ 3.77Å; E525-R584 IonicContact OE2-NE 3.09Å; E525-R584 PolarHBondContact OE2-NE 3.39Å; E525-R584 IonicContact OE2-NH2 3.74Å; E525-R584 PolarHBondContact OE2-NH2 3.07Å; D582-R584 PolarHBondContact O-N 2.82Å; D582-R584 WeakPolarHBondContact OD1-CA 3.49Å; D582-R584 WeakPolarHBondContact OD1-CB 3.43Å; D582-R584 PolarHBondContact OD1-N 3.28Å; R584-G586 VanDerWaalsContact C-N 3.33Å; R584-A587 PolarHBondContact O-N 3.19Å; R584-K588 PolarHBondContact O-N 2.94Å
585	V	90.8	Very high	90.8	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.036	22%	0.221	C	C	.	.	H	α-helix	trans	-60.1	-44.8	172.4	169.2	0	0	0	0	110.4	I520 E525 F528 C581 D582 A587 K588 L589	I520-V585 HydrophobicContact CG1-CG1 4.24Å; I520-V585 HydrophobicContact CG2-CG1 4.05Å; E525-V585 HydrophobicContact CG-CG2 4.19Å; F528-V585 HydrophobicContact CE2-CG1 3.93Å; F528-V585 HydrophobicContact CZ-CG1 4.26Å; C581-V585 HydrophobicContact CB-CB 3.73Å; C581-V585 HydrophobicContact CB-CG1 3.38Å; D582-V585 PolarHBondContact O-N 3.49Å; D582-V585 PolarHBondContact OD1-N 3.25Å; V585-A587 VanDerWaalsContact C-N 3.31Å; V585-A587 PolarHBondContact O-N 3.44Å; V585-K588 PolarHBondContact O-N 3.25Å; V585-K588 VanDerWaalsContact O-N 3.16Å; V585-L589 HydrophobicContact CG1-CD1 4.15Å; V585-L589 HydrophobicContact CG1-CG 4.44Å; V585-L589 WeakPolarHBondContact O-CG 3.47Å; V585-L589 PolarHBondContact O-N 3.42Å
586	G	91.7	Very high	90.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-57.9	-40.5	175.8	0	0	0	0	0	113.2	D582 Q583 R584 K590	D582-G586 PolarHBondContact O-N 2.7Å; Q583-G586 PolarHBondContact O-N 3.14Å; R584-G586 VanDerWaalsContact C-N 3.33Å; G586-K590 WeakPolarHBondContact O-CB 3.36Å; G586-K590 PolarHBondContact O-N 2.7Å
587	A	92.2	Very high	90.7	Very high	44 Å²	44	46.8 Å²	46.8	36%	0.364	23%	0.227	S	C	.	.	H	α-helix	trans	-67.1	-40.2	175.4	0	0	0	0	0	112.7	Q583 R584 V585 K590 F591	Q583-A587 WeakPolarHBondContact O-CB 3.44Å; Q583-A587 PolarHBondContact O-N 3.16Å; R584-A587 PolarHBondContact O-N 3.19Å; V585-A587 VanDerWaalsContact C-N 3.31Å; V585-A587 PolarHBondContact O-N 3.44Å; A587-K590 PolarHBondContact O-N 3.43Å; A587-F591 PolarHBondContact O-N 3.41Å
588	K	91.2	Very high	90.5	Very high	80 Å²	80	48.3 Å²	48.3	35%	0.348	24%	0.239	S	C	.	.	H	α-helix	trans	-64.7	-43.8	175.6	-75.4	-76.3	-171	160.7	0	112	E525 D526 F528 R584 V585 F591 A592	E525-K588 HydrophobicContact CB-CG 4.37Å; D526-K588 IonicContact OD1-NZ 3.19Å; F528-K588 HydrophobicContact CD2-CB 3.91Å; F528-K588 HydrophobicContact CE2-CB 4.22Å; R584-K588 PolarHBondContact O-N 2.94Å; V585-K588 PolarHBondContact O-N 3.25Å; V585-K588 VanDerWaalsContact O-N 3.16Å; K588-F591 PolarHBondContact O-N 2.85Å; K588-A592 PolarHBondContact O-N 2.65Å; K588-A592 VanDerWaalsContact O-N 3.12Å
589	L	90.9	Very high	90.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.1	-49.4	173.3	-70.4	174.4	0	0	0	110.9	L516 I520 F528 F575 V579 V585 F591 A592 F593 L627	L516-L589 HydrophobicContact CD2-CD2 3.82Å; L516-L589 HydrophobicContact CG-CD2 4.41Å; I520-L589 HydrophobicContact CD1-CD1 4.26Å; I520-L589 HydrophobicContact CD1-CD2 4.41Å; F528-L589 HydrophobicContact CD2-CD2 4.1Å; F528-L589 HydrophobicContact CD2-CG 4.43Å; F528-L589 HydrophobicContact CE2-CD2 4.43Å; F528-L589 HydrophobicContact CE2-CG 4.49Å; F575-L589 HydrophobicContact CE1-CD2 4.48Å; F575-L589 HydrophobicContact CZ-CD2 4.34Å; V579-L589 HydrophobicContact CG1-CD1 4.36Å; V585-L589 HydrophobicContact CG1-CD1 4.15Å; V585-L589 HydrophobicContact CG1-CG 4.44Å; V585-L589 WeakPolarHBondContact O-CG 3.47Å; V585-L589 PolarHBondContact O-N 3.42Å; L589-F591 PolarHBondContact O-N 2.97Å; L589-A592 PolarHBondContact O-N 2.83Å; L589-F593 VanDerWaalsContact O-CD2 3.3Å; L589-F593 WeakPolarHBondContact O-CD2 3.34Å; L589-F593 PolarHBondContact O-N 2.91Å; L589-L627 HydrophobicContact CB-CD2 4.16Å
590	K	92	Very high	90.6	Very high	72 Å²	72	47.4 Å²	47.4	31%	0.313	23%	0.231	S	C	.	.	H	α-helix	trans	-55.9	-35.4	176.7	178.5	173.2	174.5	168.6	0	112.9	G586 A587 P594 L627 S628 S631	G586-K590 WeakPolarHBondContact O-CB 3.36Å; G586-K590 PolarHBondContact O-N 2.7Å; A587-K590 PolarHBondContact O-N 3.43Å; K590-P594 WeakPolarHBondContact O-CD 3.42Å; K590-L627 HydrophobicContact CB-CB 4.13Å; K590-L627 HydrophobicContact CG-CB 4.27Å; K590-S628 PolarHBondContact NZ-OG 2.86Å; K590-S631 VanDerWaalsContact CD-OG 3.27Å; K590-S631 WeakPolarHBondContact CD-OG 3.41Å
591	F	91	Very high	90.4	Very high	154 Å²	154	44.9 Å²	44.9	68%	0.675	22%	0.224	S	C	*	.	H	α-helix	trans	-76	-24.9	178.7	-171.7	-96.4	0	0	0	113.6	A587 K588 L589 P594	A587-F591 PolarHBondContact O-N 3.41Å; K588-F591 PolarHBondContact O-N 2.85Å; L589-F591 PolarHBondContact O-N 2.97Å; F591-P594 WeakPolarHBondContact O-CD 3.19Å
592	A	89	Confident	90.2	Very high	7 Å²	7	50.5 Å²	50.5	6%	0.058	25%	0.25	C	C	.	.	H	α-helix	trans	-88.8	-27	-174.1	0	0	0	0	0	114.6	I532 K588 L589	I532-A592 HydrophobicContact CD1-CB 3.38Å; K588-A592 PolarHBondContact O-N 2.65Å; K588-A592 VanDerWaalsContact O-N 3.12Å; L589-A592 PolarHBondContact O-N 2.83Å
593	F	90.3	Very high	90	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-23.1	178.6	-81.5	-82.1	0	0	0	117.9	L512 I532 I536 L571 F575 L589 Q595 F596 F597 L627	L512-F593 HydrophobicContact CD2-CE1 4.39Å; L512-F593 HydrophobicContact CD2-CZ 4.13Å; I532-F593 HydrophobicContact CD1-CD2 4.33Å; I532-F593 HydrophobicContact CD1-CE2 4.09Å; I532-F593 HydrophobicContact CD1-CZ 4.42Å; I536-F593 HydrophobicContact CD1-CD1 4.11Å; I536-F593 HydrophobicContact CD1-CE1 3.68Å; L571-F593 HydrophobicContact CD1-CE1 4.11Å; L571-F593 HydrophobicContact CD2-CE1 4.18Å; F575-F593 HydrophobicContact CD1-CZ 4.3Å; F575-F593 HydrophobicContact CE1-CE2 4.26Å; F575-F593 HydrophobicContact CE1-CZ 4.09Å; L589-F593 VanDerWaalsContact O-CD2 3.3Å; L589-F593 WeakPolarHBondContact O-CD2 3.34Å; L589-F593 PolarHBondContact O-N 2.91Å; F593-Q595 PolarHBondContact O-N 3.47Å; F593-Q595 VanDerWaalsContact O-N 3.17Å; F593-F596 HydrophobicContact CD1-CD1 4.43Å; F593-F596 WeakPolarHBondContact O-CB 3.31Å; F593-F596 PolarHBondContact O-N 3.21Å; F593-F597 HydrophobicContact CB-CE1 4.42Å; F593-F597 HydrophobicContact CB-CE2 3.7Å; F593-F597 HydrophobicContact CB-CZ 3.63Å; F593-F597 HydrophobicContact CD1-CZ 4.37Å; F593-F597 HydrophobicContact CG-CZ 4.3Å; F593-F597 WeakPolarHBondContact O-CD2 3.15Å; F593-F597 PolarHBondContact O-N 3.15Å; F593-L627 HydrophobicContact CB-CD1 3.92Å; F593-L627 HydrophobicContact CD2-CD1 3.83Å; F593-L627 HydrophobicContact CD2-CD2 3.9Å; F593-L627 HydrophobicContact CE2-CD2 4.14Å; F593-L627 HydrophobicContact CG-CD1 4Å
594	P	89	Confident	89.7	Confident	61 Å²	61	46 Å²	46	40%	0.396	23%	0.23	S	C	.	.	H	α-helix	trans	-53.9	-36.4	-179	-29.4	36.7	0	0	0	114.9	K590 F591 F596 F597 S598	K590-P594 WeakPolarHBondContact O-CD 3.42Å; F591-P594 WeakPolarHBondContact O-CD 3.19Å; P594-F596 VanDerWaalsContact C-N 3.33Å; P594-F596 PolarHBondContact O-N 3.42Å; P594-F597 PolarHBondContact O-N 2.98Å; P594-S598 PolarHBondContact O-N 3.39Å
595	Q	88.3	Confident	89.3	Confident	81 Å²	81	43.3 Å²	43.3	38%	0.379	23%	0.227	S	C	.	.	H	α-helix	trans	-62.2	-41.4	176.8	-172.2	179.5	2.3	0	0	111.6	V537 F593 F597 S598	V537-Q595 HydrophobicContact CG1-CG 4.05Å; V537-Q595 HydrophobicContact CG2-CG 4.43Å; F593-Q595 PolarHBondContact O-N 3.47Å; F593-Q595 VanDerWaalsContact O-N 3.17Å; Q595-F597 PolarHBondContact O-N 3.4Å; Q595-S598 PolarHBondContact O-N 3.23Å; Q595-S598 PolarHBondContact O-OG 3.37Å
596	F	91.1	Very high	88.7	Confident	3 Å²	3	46.9 Å²	46.9	1%	0.013	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-42.5	174.9	172.2	-102	0	0	0	111.8	I536 V537 T540 C567 L571 F593 P594 S598 L599 F600 F620	I536-F596 HydrophobicContact CB-CD2 4.21Å; I536-F596 HydrophobicContact CB-CE2 4.31Å; I536-F596 HydrophobicContact CD1-CB 4.17Å; I536-F596 HydrophobicContact CD1-CD1 4.41Å; I536-F596 HydrophobicContact CD1-CD2 3.77Å; I536-F596 HydrophobicContact CD1-CE2 4.23Å; I536-F596 HydrophobicContact CD1-CG 3.86Å; I536-F596 HydrophobicContact CG1-CD2 4Å; I536-F596 HydrophobicContact CG1-CG 4.47Å; V537-F596 HydrophobicContact CG2-CB 4.13Å; T540-F596 HydrophobicContact CG2-CE2 4.09Å; T540-F596 WeakPolarHBondContact OG1-CE2 3.41Å; C567-F596 HydrophobicContact CB-CZ 4.19Å; L571-F596 HydrophobicContact CD1-CD1 4.4Å; L571-F596 HydrophobicContact CD1-CE1 3.71Å; L571-F596 HydrophobicContact CD1-CZ 4.15Å; F593-F596 HydrophobicContact CD1-CD1 4.43Å; F593-F596 WeakPolarHBondContact O-CB 3.31Å; F593-F596 PolarHBondContact O-N 3.21Å; P594-F596 VanDerWaalsContact C-N 3.33Å; P594-F596 PolarHBondContact O-N 3.42Å; F596-S598 VanDerWaalsContact C-N 3.34Å; F596-S598 PolarHBondContact O-N 3.39Å; F596-L599 WeakPolarHBondContact O-CB 3.47Å; F596-L599 PolarHBondContact O-N 2.92Å; F596-F600 HydrophobicContact CD1-CE2 4.26Å; F596-F600 HydrophobicContact CD2-CE2 4.26Å; F596-F600 AromaticContact CE1-CE2 3.73Å; F596-F600 HydrophobicContact CE1-CE2 3.73Å; F596-F600 HydrophobicContact CE1-CZ 4.47Å; F596-F600 AromaticContact CE2-CE2 3.74Å; F596-F600 HydrophobicContact CE2-CE2 3.74Å; F596-F600 HydrophobicContact CE2-CZ 4.18Å; F596-F600 AromaticContact CZ-CE2 3.45Å; F596-F600 HydrophobicContact CZ-CE2 3.45Å; F596-F600 VanDerWaalsContact CZ-CE2 3.45Å; F596-F600 AromaticContact CZ-CZ 3.86Å; F596-F600 HydrophobicContact CZ-CZ 3.86Å; F596-F600 WeakPolarHBondContact O-CD2 3.38Å; F596-F620 HydrophobicContact CE1-CE1 4.09Å; F596-F620 HydrophobicContact CE1-CZ 4.12Å
597	F	89.5	Confident	88.2	Confident	26 Å²	26	48.2 Å²	48.2	11%	0.114	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-38.5	178	-54.2	-37.5	0	0	0	112.6	F593 P594 Q595 L599 F600 T601 F620 L623 M624 L627	F593-F597 HydrophobicContact CB-CE1 4.42Å; F593-F597 HydrophobicContact CB-CE2 3.7Å; F593-F597 HydrophobicContact CB-CZ 3.63Å; F593-F597 HydrophobicContact CD1-CZ 4.37Å; F593-F597 HydrophobicContact CG-CZ 4.3Å; F593-F597 WeakPolarHBondContact O-CD2 3.15Å; F593-F597 PolarHBondContact O-N 3.15Å; P594-F597 PolarHBondContact O-N 2.98Å; Q595-F597 PolarHBondContact O-N 3.4Å; F597-L599 PolarHBondContact O-N 2.77Å; F597-F600 PolarHBondContact O-N 3.12Å; F597-F600 VanDerWaalsContact O-N 3.12Å; F597-T601 PolarHBondContact O-N 3.03Å; F597-F620 HydrophobicContact CB-CD2 4.45Å; F597-F620 HydrophobicContact CD1-CB 3.83Å; F597-F620 HydrophobicContact CD1-CD1 4.04Å; F597-F620 AromaticContact CD1-CD2 3.64Å; F597-F620 HydrophobicContact CD1-CD2 3.64Å; F597-F620 HydrophobicContact CD1-CE2 4.18Å; F597-F620 AromaticContact CD1-CG 3.55Å; F597-F620 HydrophobicContact CD1-CG 3.55Å; F597-F620 HydrophobicContact CE1-CB 3.85Å; F597-F620 AromaticContact CE1-CD1 3.9Å; F597-F620 HydrophobicContact CE1-CD1 3.9Å; F597-F620 HydrophobicContact CE1-CD2 4.31Å; F597-F620 AromaticContact CE1-CG 3.76Å; F597-F620 HydrophobicContact CE1-CG 3.76Å; F597-F620 HydrophobicContact CG-CB 4.4Å; F597-F620 HydrophobicContact CG-CD2 4.32Å; F597-F620 HydrophobicContact CG-CG 4.43Å; F597-F620 HydrophobicContact CZ-CB 4.41Å; F597-L623 HydrophobicContact CE1-CD2 3.68Å; F597-L623 HydrophobicContact CE1-CG 4.47Å; F597-L623 HydrophobicContact CZ-CD2 3.8Å; F597-L623 HydrophobicContact CZ-CG 4.15Å; F597-M624 HydrophobicContact CD2-CG 4.45Å; F597-M624 HydrophobicContact CD2-SD 4Å; F597-M624 HydrophobicContact CE2-CG 3.91Å; F597-M624 HydrophobicContact CE2-SD 3.35Å; F597-M624 WeakPolarHBondContact CE2-SD 3.45Å; F597-M624 HydrophobicContact CZ-CG 4.4Å; F597-M624 HydrophobicContact CZ-SD 4.21Å; F597-L627 HydrophobicContact CZ-CD1 4.24Å
598	S	89	Confident	87.5	Confident	44 Å²	44	55.6 Å²	55.6	31%	0.308	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-28	-179.3	71.7	0	0	0	0	113.6	P594 Q595 F596 F600 T601 H602	P594-S598 PolarHBondContact O-N 3.39Å; Q595-S598 PolarHBondContact O-N 3.23Å; Q595-S598 PolarHBondContact O-OG 3.37Å; F596-S598 VanDerWaalsContact C-N 3.34Å; F596-S598 PolarHBondContact O-N 3.39Å; S598-F600 VanDerWaalsContact C-N 3.26Å; S598-F600 PolarHBondContact O-N 3.34Å; S598-T601 PolarHBondContact O-N 3.19Å; S598-H602 PolarHBondContact O-CD2 3Å; S598-H602 PolarHBondContact O-N 3.19Å
599	L	90.8	Very high	86.9	Confident	24 Å²	24	53.6 Å²	53.6	13%	0.126	29%	0.291	C	S	.	.	H	α-helix	trans	-59.2	-38.9	175.7	-64.8	-179.6	0	0	0	112.1	V537 T540 Q541 L544 F596 F597 H602 A603	V537-L599 HydrophobicContact CB-CD1 4.43Å; V537-L599 HydrophobicContact CG1-CD1 3.83Å; V537-L599 HydrophobicContact CG1-CD2 4.46Å; V537-L599 HydrophobicContact CG1-CG 4.37Å; V537-L599 WeakPolarHBondContact O-CD1 3.35Å; T540-L599 HydrophobicContact CG2-CD1 4Å; Q541-L599 HydrophobicContact CB-CD1 4.29Å; Q541-L599 HydrophobicContact CB-CD2 4.19Å; Q541-L599 HydrophobicContact CG-CD2 4.37Å; L544-L599 HydrophobicContact CD1-CB 3.96Å; F596-L599 WeakPolarHBondContact O-CB 3.47Å; F596-L599 PolarHBondContact O-N 2.92Å; F597-L599 PolarHBondContact O-N 2.77Å; L599-H602 PolarHBondContact O-N 2.93Å; L599-A603 WeakPolarHBondContact O-CB 3.38Å; L599-A603 PolarHBondContact O-N 3.41Å
600	F	90.7	Very high	86.5	Confident	3 Å²	3	59.5 Å²	59.5	1%	0.013	33%	0.33	C	S	.	.	H	α-helix	trans	-76.8	-32.5	-179.3	-66.7	-82.3	0	0	0	112.2	T540 L544 L560 L563 M564 F596 F597 S598 A603 C604 F620	T540-F600 HydrophobicContact CG2-CE1 4.43Å; T540-F600 HydrophobicContact CG2-CE2 4.08Å; T540-F600 HydrophobicContact CG2-CZ 3.75Å; L544-F600 HydrophobicContact CD2-CE1 4.45Å; L560-F600 HydrophobicContact CD1-CD1 3.88Å; L560-F600 HydrophobicContact CD1-CE1 4.37Å; L563-F600 HydrophobicContact CD2-CE1 3.82Å; L563-F600 HydrophobicContact CD2-CZ 4.48Å; L563-F600 HydrophobicContact CG-CE1 4.11Å; M564-F600 HydrophobicContact CE-CB 3.64Å; M564-F600 HydrophobicContact CE-CD1 3.94Å; M564-F600 HydrophobicContact CE-CG 4.23Å; M564-F600 HydrophobicContact CG-CB 4.28Å; M564-F600 HydrophobicContact CG-CD1 3.35Å; M564-F600 HydrophobicContact CG-CE1 3.83Å; M564-F600 HydrophobicContact CG-CG 3.96Å; M564-F600 HydrophobicContact SD-CB 4.28Å; M564-F600 HydrophobicContact SD-CD1 4.33Å; F596-F600 HydrophobicContact CD1-CE2 4.26Å; F596-F600 HydrophobicContact CD2-CE2 4.26Å; F596-F600 AromaticContact CE1-CE2 3.73Å; F596-F600 HydrophobicContact CE1-CE2 3.73Å; F596-F600 HydrophobicContact CE1-CZ 4.47Å; F596-F600 AromaticContact CE2-CE2 3.74Å; F596-F600 HydrophobicContact CE2-CE2 3.74Å; F596-F600 HydrophobicContact CE2-CZ 4.18Å; F596-F600 AromaticContact CZ-CE2 3.45Å; F596-F600 HydrophobicContact CZ-CE2 3.45Å; F596-F600 VanDerWaalsContact CZ-CE2 3.45Å; F596-F600 AromaticContact CZ-CZ 3.86Å; F596-F600 HydrophobicContact CZ-CZ 3.86Å; F596-F600 WeakPolarHBondContact O-CD2 3.38Å; F597-F600 PolarHBondContact O-N 3.12Å; F597-F600 VanDerWaalsContact O-N 3.12Å; S598-F600 VanDerWaalsContact C-N 3.26Å; S598-F600 PolarHBondContact O-N 3.34Å; F600-A603 PolarHBondContact O-N 2.99Å; F600-C604 PolarHBondContact O-N 2.85Å; F600-C604 PolarHBondContact O-SG 3.46Å; F600-C604 VanDerWaalsContact O-SG 3.35Å; F600-F620 HydrophobicContact CB-CE2 4.11Å; F600-F620 AromaticContact CD2-CE2 3.48Å; F600-F620 HydrophobicContact CD2-CE2 3.48Å; F600-F620 VanDerWaalsContact CD2-CE2 3.48Å; F600-F620 AromaticContact CD2-CZ 3.69Å; F600-F620 HydrophobicContact CD2-CZ 3.69Å; F600-F620 HydrophobicContact CE1-CZ 4.49Å; F600-F620 AromaticContact CE2-CE2 3.97Å; F600-F620 HydrophobicContact CE2-CE2 3.97Å; F600-F620 AromaticContact CE2-CZ 3.66Å; F600-F620 HydrophobicContact CE2-CZ 3.66Å; F600-F620 AromaticContact CG-CE2 3.79Å; F600-F620 HydrophobicContact CG-CE2 3.79Å; F600-F620 HydrophobicContact CG-CZ 4.14Å; F600-F620 HydrophobicContact CZ-CZ 4.07Å
601	T	86	Confident	85.9	Confident	61 Å²	61	59.1 Å²	59.1	37%	0.374	33%	0.331	S	S	.	.	H	α-helix	trans	-61.5	-49.3	169.7	-52.4	0	0	0	0	110	F597 S598 A603 C604 D605	F597-T601 PolarHBondContact O-N 3.03Å; S598-T601 PolarHBondContact O-N 3.19Å; T601-A603 VanDerWaalsContact C-N 3.34Å; T601-A603 PolarHBondContact O-N 3.41Å; T601-C604 WeakPolarHBondContact O-CB 3.35Å; T601-C604 PolarHBondContact O-N 3.02Å; T601-C604 VanDerWaalsContact O-N 3.1Å; T601-D605 PolarHBondContact O-N 2.87Å
602	H	86.4	Confident	85.4	Confident	122 Å²	122	52.1 Å²	52.1	57%	0.565	30%	0.3	S	S	*	.	H	α-helix	trans	-63.9	-36.1	177.5	-70.3	-44.2	0	0	0	113.6	S598 L599 C604 D605	S598-H602 PolarHBondContact O-CD2 3Å; S598-H602 PolarHBondContact O-N 3.19Å; L599-H602 PolarHBondContact O-N 2.93Å; H602-C604 PolarHBondContact O-N 2.9Å; H602-D605 WeakPolarHBondContact CA-OD2 3.34Å; H602-D605 IonicContact ND1-OD2 3.55Å; H602-D605 PolarHBondContact ND1-OD2 3.01Å; H602-D605 VanDerWaalsContact ND1-OD2 3.09Å; H602-D605 WeakPolarHBondContact O-CB 3.3Å; H602-D605 PolarHBondContact O-N 3.16Å; H602-D605 VanDerWaalsContact O-N 3.13Å
603	A	87.5	Confident	84.4	Confident	7 Å²	7	54.6 Å²	54.6	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-65.8	-25.2	174.9	0	0	0	0	0	113.3	L544 F556 L560 L599 F600 T601 I607	L544-A603 HydrophobicContact CD1-CB 4.12Å; L544-A603 HydrophobicContact CD2-CB 4.06Å; F556-A603 HydrophobicContact CZ-CB 4.33Å; L560-A603 HydrophobicContact CD1-CB 4.22Å; L560-A603 HydrophobicContact CD2-CB 4.09Å; L599-A603 WeakPolarHBondContact O-CB 3.38Å; L599-A603 PolarHBondContact O-N 3.41Å; F600-A603 PolarHBondContact O-N 2.99Å; T601-A603 VanDerWaalsContact C-N 3.34Å; T601-A603 PolarHBondContact O-N 3.41Å; A603-I607 WeakPolarHBondContact O-CD1 3.35Å
604	C	85.4	Confident	83.3	Confident	17 Å²	17	60.6 Å²	60.6	12%	0.115	36%	0.358	C	S	.	.	H	α-helix	trans	-84.8	-16.3	173.8	-70.1	0	0	0	0	113.1	L560 M564 F600 T601 H602 G606 I607 T616	L560-C604 VanDerWaalsContact CD2-SG 3.55Å; M564-C604 WeakPolarHBondContact CE-SG 3.45Å; F600-C604 PolarHBondContact O-N 2.85Å; F600-C604 PolarHBondContact O-SG 3.46Å; F600-C604 VanDerWaalsContact O-SG 3.35Å; T601-C604 WeakPolarHBondContact O-CB 3.35Å; T601-C604 PolarHBondContact O-N 3.02Å; T601-C604 VanDerWaalsContact O-N 3.1Å; H602-C604 PolarHBondContact O-N 2.9Å; C604-G606 PolarHBondContact O-N 3.41Å; C604-I607 PolarHBondContact O-N 2.86Å; C604-I607 VanDerWaalsContact O-N 3.16Å; C604-T616 HydrophobicContact CB-CG2 3.47Å; C604-T616 VanDerWaalsContact CB-CG2 3.47Å; C604-T616 WeakPolarHBondContact SG-CG2 3.33Å
605	D	82.3	Confident	82.4	Confident	97 Å²	97	59 Å²	59	52%	0.519	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	122.5	-176.9	-72.8	-24.3	0	0	0	110.1	T601 H602	T601-D605 PolarHBondContact O-N 2.87Å; H602-D605 WeakPolarHBondContact CA-OD2 3.34Å; H602-D605 IonicContact ND1-OD2 3.55Å; H602-D605 PolarHBondContact ND1-OD2 3.01Å; H602-D605 VanDerWaalsContact ND1-OD2 3.09Å; H602-D605 WeakPolarHBondContact O-CB 3.3Å; H602-D605 PolarHBondContact O-N 3.16Å; H602-D605 VanDerWaalsContact O-N 3.13Å
606	G	78.3	Confident	81.3	Confident	82 Å²	82	57.1 Å²	57.1	85%	0.845	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	0.1	179.1	0	0	0	0	0	115.9	C604 E608	C604-G606 PolarHBondContact O-N 3.41Å; G606-E608 PolarHBondContact O-N 3.34Å
607	I	80.7	Confident	80.1	Confident	28 Å²	28	63.8 Å²	63.8	14%	0.144	38%	0.375	C	S	.	.			trans	-93.6	102.2	178.5	-54.4	-172.1	0	0	0	110.5	T553 F556 A603 C604 H609 L612	T553-I607 HydrophobicContact CG2-CG2 3.92Å; F556-I607 HydrophobicContact CD1-CD1 3.37Å; F556-I607 HydrophobicContact CE1-CD1 3.33Å; A603-I607 WeakPolarHBondContact O-CD1 3.35Å; C604-I607 PolarHBondContact O-N 2.86Å; C604-I607 VanDerWaalsContact O-N 3.16Å; I607-H609 VanDerWaalsContact C-N 3.27Å; I607-H609 HydrophobicContact CG2-CB 3.9Å; I607-H609 PolarHBondContact O-N 3.33Å; I607-L612 HydrophobicContact CB-CD1 4.11Å; I607-L612 HydrophobicContact CG2-CD1 3.75Å
608	E	77.6	Confident	79.5	Confident	198 Å²	198	68 Å²	68	93%	0.925	40%	0.395	S	S	*	.			trans	-78.5	73	173	-65.2	-170.3	177.2	0	0	111	G606	G606-E608 PolarHBondContact O-N 3.34Å
609	H	79.6	Confident	79.2	Confident	38 Å²	38	66.9 Å²	66.9	18%	0.176	39%	0.387	C	S	.	.			trans	-122.9	127.3	175.9	-160.8	-86.6	0	0	0	111.9	A557 I607 I611 L612	A557-H609 HydrophobicContact CB-CB 3.72Å; A557-H609 VanDerWaalsContact CB-CG 3.49Å; I607-H609 VanDerWaalsContact C-N 3.27Å; I607-H609 HydrophobicContact CG2-CB 3.9Å; I607-H609 PolarHBondContact O-N 3.33Å; H609-I611 VanDerWaalsContact CE1-CD1 3.47Å; H609-I611 WeakPolarHBondContact CE1-CD1 3.41Å; H609-I611 VanDerWaalsContact CE1-CG1 3.48Å; H609-I611 WeakPolarHBondContact CE1-CG1 3.47Å; H609-I611 WeakPolarHBondContact ND1-CB 3.26Å; H609-I611 PolarHBondContact ND1-N 3.03Å; H609-I611 PolarHBondContact O-N 3.43Å; H609-L612 HydrophobicContact CB-CD1 4.48Å; H609-L612 PolarHBondContact O-N 3.18Å
610	P	81	Confident	79.2	Confident	124 Å²	124	66.5 Å²	66.5	81%	0.805	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-31.7	-175.7	-26.2	32.6	0	0	0	114	L612	P610-L612 VanDerWaalsContact C-N 3.28Å; P610-L612 PolarHBondContact O-N 2.77Å
611	I	80.9	Confident	79.3	Confident	65 Å²	65	69.6 Å²	69.6	33%	0.333	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-27.3	-179.4	-62.5	-178	0	0	0	112.6	I558 K561 H609	I558-I611 HydrophobicContact CG1-CD1 4.04Å; K561-I611 HydrophobicContact CB-CG2 4.3Å; K561-I611 HydrophobicContact CD-CG2 3.28Å; K561-I611 HydrophobicContact CG-CG2 4.42Å; H609-I611 VanDerWaalsContact CE1-CD1 3.47Å; H609-I611 WeakPolarHBondContact CE1-CD1 3.41Å; H609-I611 VanDerWaalsContact CE1-CG1 3.48Å; H609-I611 WeakPolarHBondContact CE1-CG1 3.47Å; H609-I611 WeakPolarHBondContact ND1-CB 3.26Å; H609-I611 PolarHBondContact ND1-N 3.03Å; H609-I611 PolarHBondContact O-N 3.43Å
612	L	79.4	Confident	79.6	Confident	7 Å²	7	69.5 Å²	69.5	4%	0.037	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-13.5	-173.7	-66.5	178.5	0	0	0	114.4	A557 L560 I607 H609 P610 N614 M615	A557-L612 HydrophobicContact CB-CD1 3.71Å; A557-L612 HydrophobicContact CB-CG 3.93Å; L560-L612 HydrophobicContact CD2-CD1 4.32Å; L560-L612 HydrophobicContact CD2-CD2 4.28Å; I607-L612 HydrophobicContact CB-CD1 4.11Å; I607-L612 HydrophobicContact CG2-CD1 3.75Å; H609-L612 HydrophobicContact CB-CD1 4.48Å; H609-L612 PolarHBondContact O-N 3.18Å; P610-L612 VanDerWaalsContact C-N 3.28Å; P610-L612 PolarHBondContact O-N 2.77Å; L612-N614 PolarHBondContact O-N 3.14Å; L612-M615 WeakPolarHBondContact O-CB 3.41Å; L612-M615 PolarHBondContact O-N 3.35Å
613	G	68.8	Low	79.9	Confident	58 Å²	58	63.7 Å²	63.7	60%	0.598	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.2	-60.3	-165.4	0	0	0	0	0	116.4
614	N	67.6	Low	80.2	Confident	127 Å²	127	66.7 Å²	66.7	68%	0.679	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	4.2	179.6	-72.4	-5.8	0	0	0	113.7	L612 T616	L612-N614 PolarHBondContact O-N 3.14Å; N614-T616 PolarHBondContact O-N 3.13Å
615	M	68.9	Low	80.6	Confident	26 Å²	26	66.7 Å²	66.7	13%	0.128	38%	0.377	C	S	.	.	H	α-helix	trans	-72.6	-30.4	-163.7	-127.9	-170.8	71.7	0	0	113.2	K561 M564 L612 L617 E618 C619	K561-M615 VanDerWaalsContact CA-CE 3.46Å; K561-M615 HydrophobicContact CB-CE 3.67Å; K561-M615 HydrophobicContact CB-SD 3.7Å; K561-M615 HydrophobicContact CD-CE 4.49Å; K561-M615 HydrophobicContact CD-SD 3.47Å; K561-M615 WeakPolarHBondContact CD-SD 3.49Å; K561-M615 HydrophobicContact CG-CE 3.77Å; K561-M615 HydrophobicContact CG-SD 3.39Å; K561-M615 WeakPolarHBondContact CG-SD 3.49Å; M564-M615 HydrophobicContact CB-CE 4.37Å; M564-M615 HydrophobicContact CG-CE 4.46Å; M564-M615 HydrophobicContact SD-CE 3.47Å; M564-M615 WeakPolarHBondContact SD-CE 3.35Å; L612-M615 WeakPolarHBondContact O-CB 3.41Å; L612-M615 PolarHBondContact O-N 3.35Å; M615-L617 VanDerWaalsContact C-N 3.33Å; M615-L617 PolarHBondContact O-N 2.93Å; M615-E618 PolarHBondContact O-N 3.28Å; M615-C619 HydrophobicContact CE-CB 4.47Å; M615-C619 WeakPolarHBondContact O-CB 3.38Å; M615-C619 PolarHBondContact O-N 2.88Å
616	T	65.4	Low	81.2	Confident	43 Å²	43	62.1 Å²	62.1	26%	0.264	35%	0.352	S	S	.	.	H	α-helix	trans	-63	-35.4	-177.9	50.6	0	0	0	0	113.3	C604 N614	C604-T616 HydrophobicContact CB-CG2 3.47Å; C604-T616 VanDerWaalsContact CB-CG2 3.47Å; C604-T616 WeakPolarHBondContact SG-CG2 3.33Å; N614-T616 PolarHBondContact O-N 3.13Å
617	L	66.1	Low	82	Confident	142 Å²	142	58.2 Å²	58.2	74%	0.743	31%	0.312	S	S	*	.	H	α-helix	trans	-77.1	-24.1	178.1	-105	104.6	0	0	0	113.2	M615 Q621	M615-L617 VanDerWaalsContact C-N 3.33Å; M615-L617 PolarHBondContact O-N 2.93Å; L617-Q621 VanDerWaalsContact O-CG 3.29Å; L617-Q621 WeakPolarHBondContact O-CG 3.24Å; L617-Q621 PolarHBondContact O-NE2 3.43Å
618	E	78	Confident	82.6	Confident	116 Å²	116	58.4 Å²	58.4	54%	0.542	32%	0.315	S	S	.	.	H	α-helix	trans	-102.4	-30.7	-168.3	-67.5	-178.5	-179.4	0	0	113.4	M615 F620 Q621	M615-E618 PolarHBondContact O-N 3.28Å; E618-F620 VanDerWaalsContact C-N 3.32Å; E618-F620 PolarHBondContact O-N 3.21Å; E618-F620 VanDerWaalsContact O-N 3.14Å; E618-Q621 WeakPolarHBondContact O-CB 3.41Å; E618-Q621 WeakPolarHBondContact O-CG 3.4Å; E618-Q621 PolarHBondContact O-N 3.28Å
619	C	82.1	Confident	83.4	Confident	20 Å²	20	49 Å²	49	14%	0.135	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.9	-160.9	-154.9	0	0	0	0	116.2	M564 M615	M564-C619 HydrophobicContact CB-CB 4.16Å; M564-C619 WeakPolarHBondContact CB-SG 3.5Å; M564-C619 HydrophobicContact SD-CB 4.08Å; M615-C619 HydrophobicContact CE-CB 4.47Å; M615-C619 WeakPolarHBondContact O-CB 3.38Å; M615-C619 PolarHBondContact O-N 2.88Å
620	F	91	Very high	84	Confident	15 Å²	15	47.2 Å²	47.2	7%	0.066	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	12.9	177.7	-64.8	-67.8	0	0	0	113.2	M564 C567 E568 F596 F597 F600 E618 R622 L623 M624	M564-F620 HydrophobicContact CB-CE2 4.46Å; M564-F620 HydrophobicContact CB-CZ 4.16Å; M564-F620 HydrophobicContact CG-CE2 4.36Å; M564-F620 HydrophobicContact CG-CZ 4.36Å; C567-F620 HydrophobicContact CB-CE1 3.96Å; C567-F620 HydrophobicContact CB-CZ 4.29Å; E568-F620 HydrophobicContact CB-CD1 3.95Å; E568-F620 HydrophobicContact CB-CE1 4.16Å; E568-F620 HydrophobicContact CG-CD1 4.16Å; E568-F620 VanDerWaalsContact OE1-C 3.23Å; E568-F620 VanDerWaalsContact OE1-CA 3.3Å; E568-F620 WeakPolarHBondContact OE1-CA 3.33Å; F596-F620 HydrophobicContact CE1-CE1 4.09Å; F596-F620 HydrophobicContact CE1-CZ 4.12Å; F597-F620 HydrophobicContact CB-CD2 4.45Å; F597-F620 HydrophobicContact CD1-CB 3.83Å; F597-F620 HydrophobicContact CD1-CD1 4.04Å; F597-F620 AromaticContact CD1-CD2 3.64Å; F597-F620 HydrophobicContact CD1-CD2 3.64Å; F597-F620 HydrophobicContact CD1-CE2 4.18Å; F597-F620 AromaticContact CD1-CG 3.55Å; F597-F620 HydrophobicContact CD1-CG 3.55Å; F597-F620 HydrophobicContact CE1-CB 3.85Å; F597-F620 AromaticContact CE1-CD1 3.9Å; F597-F620 HydrophobicContact CE1-CD1 3.9Å; F597-F620 HydrophobicContact CE1-CD2 4.31Å; F597-F620 AromaticContact CE1-CG 3.76Å; F597-F620 HydrophobicContact CE1-CG 3.76Å; F597-F620 HydrophobicContact CG-CB 4.4Å; F597-F620 HydrophobicContact CG-CD2 4.32Å; F597-F620 HydrophobicContact CG-CG 4.43Å; F597-F620 HydrophobicContact CZ-CB 4.41Å; F600-F620 HydrophobicContact CB-CE2 4.11Å; F600-F620 AromaticContact CD2-CE2 3.48Å; F600-F620 HydrophobicContact CD2-CE2 3.48Å; F600-F620 VanDerWaalsContact CD2-CE2 3.48Å; F600-F620 AromaticContact CD2-CZ 3.69Å; F600-F620 HydrophobicContact CD2-CZ 3.69Å; F600-F620 HydrophobicContact CE1-CZ 4.49Å; F600-F620 AromaticContact CE2-CE2 3.97Å; F600-F620 HydrophobicContact CE2-CE2 3.97Å; F600-F620 AromaticContact CE2-CZ 3.66Å; F600-F620 HydrophobicContact CE2-CZ 3.66Å; F600-F620 AromaticContact CG-CE2 3.79Å; F600-F620 HydrophobicContact CG-CE2 3.79Å; F600-F620 HydrophobicContact CG-CZ 4.14Å; F600-F620 HydrophobicContact CZ-CZ 4.07Å; E618-F620 VanDerWaalsContact C-N 3.32Å; E618-F620 PolarHBondContact O-N 3.21Å; E618-F620 VanDerWaalsContact O-N 3.14Å; F620-R622 VanDerWaalsContact C-N 3.3Å; F620-R622 PolarHBondContact O-N 2.95Å; F620-L623 HydrophobicContact CD1-CD2 4.27Å; F620-L623 PolarHBondContact O-N 3.11Å; F620-M624 WeakPolarHBondContact O-CB 3.4Å; F620-M624 WeakPolarHBondContact O-CG 3.31Å; F620-M624 PolarHBondContact O-N 3.44Å
621	Q	91.4	Very high	84.6	Confident	68 Å²	68	42.3 Å²	42.3	32%	0.318	23%	0.232	S	C	.	.	H	α-helix	trans	-64.1	-35	-176.4	-71.6	-177	-1.5	0	0	112.6	E568 L617 E618 M624 Q625 L667	E568-Q621 PolarHBondContact OE1-N 3.33Å; L617-Q621 VanDerWaalsContact O-CG 3.29Å; L617-Q621 WeakPolarHBondContact O-CG 3.24Å; L617-Q621 PolarHBondContact O-NE2 3.43Å; E618-Q621 WeakPolarHBondContact O-CB 3.41Å; E618-Q621 WeakPolarHBondContact O-CG 3.4Å; E618-Q621 PolarHBondContact O-N 3.28Å; Q621-M624 PolarHBondContact O-N 2.87Å; Q621-Q625 VanDerWaalsContact O-CG 3.32Å; Q621-Q625 WeakPolarHBondContact O-CG 3.32Å; Q621-Q625 PolarHBondContact O-N 3.34Å; Q621-L667 HydrophobicContact CB-CD1 3.34Å; Q621-L667 HydrophobicContact CG-CD1 4.48Å
622	R	93.1	Very high	85.2	Confident	60 Å²	60	40.6 Å²	40.6	23%	0.226	23%	0.226	C	C	.	.	H	α-helix	trans	-69.7	-43.4	178.9	-164.6	-179.2	54.4	174.2	-1.2	109.8	E568 N569 I572 F620 M624 Q625 C626 L667 L668	E568-R622 WeakPolarHBondContact OE1-CA 3.15Å; E568-R622 WeakPolarHBondContact OE1-CB 3.43Å; E568-R622 PolarHBondContact OE1-N 3.16Å; E568-R622 IonicContact OE2-CZ 2.87Å; E568-R622 IonicContact OE2-NE 3.74Å; E568-R622 PolarHBondContact OE2-NE 2.79Å; E568-R622 IonicContact OE2-NH2 4Å; E568-R622 PolarHBondContact OE2-NH2 3.27Å; N569-R622 PolarHBondContact OD1-NH2 2.93Å; I572-R622 HydrophobicContact CD1-CB 4.15Å; I572-R622 HydrophobicContact CD1-CG 3.97Å; I572-R622 VanDerWaalsContact CD1-NE 3.28Å; F620-R622 VanDerWaalsContact C-N 3.3Å; F620-R622 PolarHBondContact O-N 2.95Å; R622-M624 VanDerWaalsContact C-N 3.33Å; R622-M624 PolarHBondContact O-N 3.01Å; R622-Q625 PolarHBondContact O-N 3.5Å; R622-C626 PolarHBondContact O-N 2.89Å; R622-C626 PolarHBondContact O-SG 3.25Å; R622-L667 HydrophobicContact CB-CB 4.26Å; R622-L667 HydrophobicContact CG-CB 4.2Å; R622-L668 HydrophobicContact CG-CD2 3.61Å
623	L	93.7	Very high	85.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.9	-41.2	173.8	175.8	59.5	0	0	0	111.7	E568 L571 I572 I576 F597 F620 Q625 C626 L627	E568-L623 HydrophobicContact CG-CB 3.76Å; E568-L623 PolarHBondContact OE1-N 3.33Å; E568-L623 VanDerWaalsContact OE1-N 3.13Å; L571-L623 HydrophobicContact CB-CD1 4.26Å; L571-L623 HydrophobicContact CB-CD2 3.98Å; L571-L623 HydrophobicContact CD1-CD2 3.67Å; L571-L623 HydrophobicContact CG-CD2 4.5Å; I572-L623 HydrophobicContact CD1-CB 4.18Å; I572-L623 HydrophobicContact CG1-CB 4.16Å; I572-L623 HydrophobicContact CG1-CD1 3.91Å; I576-L623 HydrophobicContact CD1-CD1 4.39Å; I576-L623 HydrophobicContact CG1-CD1 3.75Å; F597-L623 HydrophobicContact CE1-CD2 3.68Å; F597-L623 HydrophobicContact CE1-CG 4.47Å; F597-L623 HydrophobicContact CZ-CD2 3.8Å; F597-L623 HydrophobicContact CZ-CG 4.15Å; F620-L623 HydrophobicContact CD1-CD2 4.27Å; F620-L623 PolarHBondContact O-N 3.11Å; L623-Q625 VanDerWaalsContact C-N 3.32Å; L623-Q625 PolarHBondContact O-N 2.87Å; L623-C626 WeakPolarHBondContact O-CB 3.41Å; L623-C626 PolarHBondContact O-N 3.07Å; L623-L627 HydrophobicContact CD1-CD1 4.36Å; L623-L627 HydrophobicContact CD1-CG 4.33Å; L623-L627 HydrophobicContact CG-CD1 4.21Å; L623-L627 WeakPolarHBondContact O-CG 3.29Å; L623-L627 PolarHBondContact O-N 3.33Å
624	M	92.9	Very high	87	Confident	70 Å²	70	43.7 Å²	43.7	35%	0.345	23%	0.23	S	C	.	.	H	α-helix	trans	-62.3	-36.2	174.5	-79.1	-68.1	-78.3	0	0	113.1	F597 F620 Q621 R622 S628	F597-M624 HydrophobicContact CD2-CG 4.45Å; F597-M624 HydrophobicContact CD2-SD 4Å; F597-M624 HydrophobicContact CE2-CG 3.91Å; F597-M624 HydrophobicContact CE2-SD 3.35Å; F597-M624 WeakPolarHBondContact CE2-SD 3.45Å; F597-M624 HydrophobicContact CZ-CG 4.4Å; F597-M624 HydrophobicContact CZ-SD 4.21Å; F620-M624 WeakPolarHBondContact O-CB 3.4Å; F620-M624 WeakPolarHBondContact O-CG 3.31Å; F620-M624 PolarHBondContact O-N 3.44Å; Q621-M624 PolarHBondContact O-N 2.87Å; R622-M624 VanDerWaalsContact C-N 3.33Å; R622-M624 PolarHBondContact O-N 3.01Å; M624-S628 VanDerWaalsContact O-CB 3.27Å; M624-S628 WeakPolarHBondContact O-CB 3.37Å; M624-S628 PolarHBondContact O-N 3.33Å; M624-S628 PolarHBondContact O-OG 3.26Å
625	Q	94.5	Very high	88.2	Confident	17 Å²	17	40.6 Å²	40.6	8%	0.079	22%	0.223	C	C	.	.	H	α-helix	trans	-68.7	-41.3	172.9	-73.6	179.1	23.5	0	0	111.4	Q621 R622 L623 S628 L629 L665 H666 L668	Q621-Q625 VanDerWaalsContact O-CG 3.32Å; Q621-Q625 WeakPolarHBondContact O-CG 3.32Å; Q621-Q625 PolarHBondContact O-N 3.34Å; R622-Q625 PolarHBondContact O-N 3.5Å; L623-Q625 VanDerWaalsContact C-N 3.32Å; L623-Q625 PolarHBondContact O-N 2.87Å; Q625-S628 WeakPolarHBondContact O-CB 3.08Å; Q625-S628 PolarHBondContact O-N 3.39Å; Q625-L629 PolarHBondContact O-N 2.95Å; Q625-L665 HydrophobicContact CB-CD2 3.9Å; Q625-L665 HydrophobicContact CG-CD2 4.31Å; Q625-L665 PolarHBondContact OE1-O 3.17Å; Q625-H666 PolarHBondContact NE2-CE1 3.41Å; Q625-H666 VanDerWaalsContact NE2-CE1 3.28Å; Q625-H666 PolarHBondContact NE2-ND1 3.3Å; Q625-L668 HydrophobicContact CB-CD1 4.05Å; Q625-L668 HydrophobicContact CB-CD2 3.9Å; Q625-L668 HydrophobicContact CB-CG 3.9Å
626	C	95	Very high	89.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-47.9	173.5	-66.9	0	0	0	0	112	I576 R622 L623 S628 L629 L630 L668 I676	I576-C626 HydrophobicContact CG2-CB 3.96Å; R622-C626 PolarHBondContact O-N 2.89Å; R622-C626 PolarHBondContact O-SG 3.25Å; L623-C626 WeakPolarHBondContact O-CB 3.41Å; L623-C626 PolarHBondContact O-N 3.07Å; C626-S628 VanDerWaalsContact C-N 3.29Å; C626-S628 PolarHBondContact O-N 2.84Å; C626-L629 PolarHBondContact O-N 2.92Å; C626-L630 PolarHBondContact O-N 2.94Å; C626-L668 WeakPolarHBondContact SG-CD2 3.32Å; C626-I676 HydrophobicContact CB-CD1 3.7Å
627	L	93.8	Very high	90.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-37.1	175.5	-71.8	169	0	0	0	111.8	I576 L589 K590 F593 F597 L623 L630 S631	I576-L627 HydrophobicContact CD1-CD2 3.68Å; I576-L627 HydrophobicContact CD1-CG 4.41Å; L589-L627 HydrophobicContact CB-CD2 4.16Å; K590-L627 HydrophobicContact CB-CB 4.13Å; K590-L627 HydrophobicContact CG-CB 4.27Å; F593-L627 HydrophobicContact CB-CD1 3.92Å; F593-L627 HydrophobicContact CD2-CD1 3.83Å; F593-L627 HydrophobicContact CD2-CD2 3.9Å; F593-L627 HydrophobicContact CE2-CD2 4.14Å; F593-L627 HydrophobicContact CG-CD1 4Å; F597-L627 HydrophobicContact CZ-CD1 4.24Å; L623-L627 HydrophobicContact CD1-CD1 4.36Å; L623-L627 HydrophobicContact CD1-CG 4.33Å; L623-L627 HydrophobicContact CG-CD1 4.21Å; L623-L627 WeakPolarHBondContact O-CG 3.29Å; L623-L627 PolarHBondContact O-N 3.33Å; L627-L630 PolarHBondContact O-N 3.17Å; L627-S631 PolarHBondContact O-N 3.01Å; L627-S631 PolarHBondContact O-OG 3.12Å
628	S	93.6	Very high	91.7	Very high	32 Å²	32	34.2 Å²	34.2	22%	0.224	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-44.4	175.1	-66.2	0	0	0	0	112	K590 M624 Q625 C626 S631 S632	K590-S628 PolarHBondContact NZ-OG 2.86Å; M624-S628 VanDerWaalsContact O-CB 3.27Å; M624-S628 WeakPolarHBondContact O-CB 3.37Å; M624-S628 PolarHBondContact O-N 3.33Å; M624-S628 PolarHBondContact O-OG 3.26Å; Q625-S628 WeakPolarHBondContact O-CB 3.08Å; Q625-S628 PolarHBondContact O-N 3.39Å; C626-S628 VanDerWaalsContact C-N 3.29Å; C626-S628 PolarHBondContact O-N 2.84Å; S628-S631 WeakPolarHBondContact CA-OG 3.43Å; S628-S631 CarbonylContact O-C 3.54Å; S628-S631 PolarHBondContact O-N 3.22Å; S628-S631 VanDerWaalsContact O-N 3.14Å; S628-S631 PolarHBondContact O-OG 3.25Å; S628-S632 PolarHBondContact O-N 2.89Å; S628-S632 PolarHBondContact O-OG 3.45Å; S628-S632 VanDerWaalsContact O-OG 3.13Å
629	L	94.4	Very high	92.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-40.6	175	-179.4	58.5	0	0	0	111.9	Q625 C626 S631 S632 L640 L665 L668 V673 I676 V677 R680	Q625-L629 PolarHBondContact O-N 2.95Å; C626-L629 PolarHBondContact O-N 2.92Å; L629-S631 VanDerWaalsContact C-N 3.25Å; L629-S631 PolarHBondContact O-N 3.35Å; L629-S632 WeakPolarHBondContact O-CB 3.25Å; L629-S632 PolarHBondContact O-N 3.43Å; L629-L640 HydrophobicContact CD1-CD1 3.64Å; L629-L665 HydrophobicContact CB-CD1 4.35Å; L629-L665 HydrophobicContact CB-CD2 4.37Å; L629-L665 HydrophobicContact CD1-CD1 4.02Å; L629-L665 HydrophobicContact CD2-CD1 4.39Å; L629-L665 HydrophobicContact CG-CD1 4.48Å; L629-L668 HydrophobicContact CD2-CD1 4.35Å; L629-V673 HydrophobicContact CD2-CB 4.32Å; L629-V673 HydrophobicContact CD2-CG1 4.06Å; L629-V673 HydrophobicContact CD2-CG2 4.23Å; L629-I676 HydrophobicContact CB-CG2 4.26Å; L629-I676 HydrophobicContact CD2-CB 3.91Å; L629-I676 HydrophobicContact CD2-CD1 4.21Å; L629-I676 HydrophobicContact CD2-CG2 3.75Å; L629-I676 HydrophobicContact CG-CB 4.45Å; L629-I676 HydrophobicContact CG-CG2 3.73Å; L629-V677 HydrophobicContact CD1-CG2 4.11Å; L629-V677 HydrophobicContact CD2-CG2 4.18Å; L629-V677 HydrophobicContact CG-CG2 4.39Å; L629-R680 PolarHBondContact O-NH1 3.1Å
630	L	92.1	Very high	92.6	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-59.7	-35.5	172.5	-80.6	175	0	0	0	112.5	I576 C626 L627 I676 R680	I576-L630 HydrophobicContact CD1-CD1 3.95Å; I576-L630 HydrophobicContact CG2-CD1 3.81Å; C626-L630 PolarHBondContact O-N 2.94Å; L627-L630 PolarHBondContact O-N 3.17Å; L630-I676 HydrophobicContact CD2-CG2 3.75Å; L630-I676 HydrophobicContact CG-CG2 3.88Å; L630-R680 PolarHBondContact O-NH1 3.01Å
631	S	93.5	Very high	92.5	Very high	22 Å²	22	34.4 Å²	34.4	15%	0.154	20%	0.197	C	C	.	.	H	α-helix	trans	-85.3	-6.4	177.9	72.3	0	0	0	0	115	Q583 K590 L627 S628 L629	Q583-S631 WeakPolarHBondContact CG-O 3.28Å; Q583-S631 PolarHBondContact NE2-O 3.3Å; K590-S631 VanDerWaalsContact CD-OG 3.27Å; K590-S631 WeakPolarHBondContact CD-OG 3.41Å; L627-S631 PolarHBondContact O-N 3.01Å; L627-S631 PolarHBondContact O-OG 3.12Å; S628-S631 WeakPolarHBondContact CA-OG 3.43Å; S628-S631 CarbonylContact O-C 3.54Å; S628-S631 PolarHBondContact O-N 3.22Å; S628-S631 VanDerWaalsContact O-N 3.14Å; S628-S631 PolarHBondContact O-OG 3.25Å; L629-S631 VanDerWaalsContact C-N 3.25Å; L629-S631 PolarHBondContact O-N 3.35Å
632	S	93.7	Very high	92.4	Very high	28 Å²	28	36.4 Å²	36.4	20%	0.196	21%	0.206	C	C	.	.	S	Bend	trans	-63.3	151	-175.9	-75.2	0	0	0	0	112	Q583 S628 L629 R680	Q583-S632 WeakPolarHBondContact CG-O 3.39Å; S628-S632 PolarHBondContact O-N 2.89Å; S628-S632 PolarHBondContact O-OG 3.45Å; S628-S632 VanDerWaalsContact O-OG 3.13Å; L629-S632 WeakPolarHBondContact O-CB 3.25Å; L629-S632 PolarHBondContact O-N 3.43Å; S632-R680 PolarHBondContact O-NH1 3.25Å; S632-R680 PolarHBondContact O-NH2 3.43Å; S632-R680 VanDerWaalsContact O-NH2 3.07Å
633	N	93.3	Very high	92	Very high	75 Å²	75	35.5 Å²	35.5	40%	0.401	21%	0.205	S	C	.	.			trans	-60.5	150.8	177.9	73.6	62.9	0	0	0	111.4	A635 T636 C637	N633-A635 VanDerWaalsContact C-N 3.27Å; N633-A635 PolarHBondContact O-N 3.23Å; N633-A635 WeakPolarHBondContact OD1-CB 3.5Å; N633-A635 PolarHBondContact OD1-N 2.93Å; N633-T636 VanDerWaalsContact CG-OG1 3.3Å; N633-T636 PolarHBondContact ND2-OG1 3.43Å; N633-T636 PolarHBondContact O-N 2.99Å; N633-T636 WeakPolarHBondContact OD1-CB 3.46Å; N633-T636 PolarHBondContact OD1-N 3.2Å; N633-T636 PolarHBondContact OD1-OG1 2.97Å; N633-C637 PolarHBondContact O-N 3.33Å; N633-C637 VanDerWaalsContact O-N 3.14Å
634	V	93.2	Very high	91.6	Very high	55 Å²	55	35.5 Å²	35.5	33%	0.333	21%	0.205	S	C	.	.	H	α-helix	trans	-56	-40.8	-175.8	-175.5	0	0	0	0	112.1	T636 C637 A638 D682 V683	V634-T636 PolarHBondContact O-N 3.39Å; V634-C637 PolarHBondContact O-N 2.89Å; V634-A638 VanDerWaalsContact O-CB 3.32Å; V634-A638 WeakPolarHBondContact O-CB 3.48Å; V634-A638 PolarHBondContact O-N 3.14Å; V634-D682 WeakPolarHBondContact CG1-O 3.43Å; V634-D682 HydrophobicContact CG2-CB 4.39Å; V634-D682 WeakPolarHBondContact CG2-OD2 3.41Å; V634-V683 HydrophobicContact CG1-CG2 4.13Å
635	A	92.2	Very high	91.1	Very high	63 Å²	63	35.2 Å²	35.2	52%	0.521	21%	0.207	S	C	.	.	H	α-helix	trans	-63.3	-43.2	-179.1	0	0	0	0	0	112.2	N633 A638 L639	N633-A635 VanDerWaalsContact C-N 3.27Å; N633-A635 PolarHBondContact O-N 3.23Å; N633-A635 WeakPolarHBondContact OD1-CB 3.5Å; N633-A635 PolarHBondContact OD1-N 2.93Å; A635-A638 PolarHBondContact O-N 3.23Å; A635-L639 WeakPolarHBondContact O-CB 3.3Å; A635-L639 VanDerWaalsContact O-CG 3.31Å; A635-L639 WeakPolarHBondContact O-CG 3.47Å; A635-L639 PolarHBondContact O-N 2.92Å
636	T	91	Very high	90.4	Very high	37 Å²	37	39.9 Å²	39.9	23%	0.227	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-44.4	176.4	-65.7	0	0	0	0	111.2	N633 V634 L640 M663	N633-T636 VanDerWaalsContact CG-OG1 3.3Å; N633-T636 PolarHBondContact ND2-OG1 3.43Å; N633-T636 PolarHBondContact O-N 2.99Å; N633-T636 WeakPolarHBondContact OD1-CB 3.46Å; N633-T636 PolarHBondContact OD1-N 3.2Å; N633-T636 PolarHBondContact OD1-OG1 2.97Å; V634-T636 PolarHBondContact O-N 3.39Å; T636-L640 WeakPolarHBondContact O-CG 3.33Å; T636-L640 PolarHBondContact O-N 2.77Å; T636-M663 HydrophobicContact CG2-CE 3.14Å
637	C	91.9	Very high	89.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-69	-37	176.5	-68.6	0	0	0	0	112.5	N633 V634 L640 K641 V677 R680 V683	N633-C637 PolarHBondContact O-N 3.33Å; N633-C637 VanDerWaalsContact O-N 3.14Å; V634-C637 PolarHBondContact O-N 2.89Å; C637-L640 PolarHBondContact O-N 3.26Å; C637-K641 WeakPolarHBondContact O-CB 3.4Å; C637-K641 PolarHBondContact O-N 3.41Å; C637-V677 HydrophobicContact CB-CG1 4.48Å; C637-V677 WeakPolarHBondContact O-CG1 3.38Å; C637-R680 PolarHBondContact SG-NH1 2.72Å; C637-R680 VanDerWaalsContact SG-NH1 3.35Å; C637-V683 HydrophobicContact CB-CG2 3.54Å
638	A	91.7	Very high	87.9	Confident	39 Å²	39	46.8 Å²	46.8	32%	0.322	27%	0.265	S	S	.	.	H	α-helix	trans	-63.2	-45.8	175.8	0	0	0	0	0	111.9	V634 A635 L640 K641 E642 V683	V634-A638 VanDerWaalsContact O-CB 3.32Å; V634-A638 WeakPolarHBondContact O-CB 3.48Å; V634-A638 PolarHBondContact O-N 3.14Å; A635-A638 PolarHBondContact O-N 3.23Å; A638-L640 VanDerWaalsContact C-N 3.33Å; A638-L640 PolarHBondContact O-N 2.82Å; A638-K641 WeakPolarHBondContact O-CB 3.5Å; A638-K641 PolarHBondContact O-N 2.79Å; A638-E642 WeakPolarHBondContact O-CB 3.34Å; A638-E642 PolarHBondContact O-N 2.96Å; A638-V683 HydrophobicContact CB-CG1 3.95Å
639	L	89.4	Confident	86.3	Confident	114 Å²	114	51.3 Å²	51.3	60%	0.597	29%	0.291	S	S	*	.	H	α-helix	trans	-60.9	-42.2	174.5	-72.3	171.9	0	0	0	111.6	A635 E642 H643	A635-L639 WeakPolarHBondContact O-CB 3.3Å; A635-L639 VanDerWaalsContact O-CG 3.31Å; A635-L639 WeakPolarHBondContact O-CG 3.47Å; A635-L639 PolarHBondContact O-N 2.92Å; L639-E642 PolarHBondContact O-N 2.78Å; L639-H643 VanDerWaalsContact O-CB 3.25Å; L639-H643 WeakPolarHBondContact O-CB 3.35Å; L639-H643 PolarHBondContact O-N 3.07Å
640	L	88.7	Confident	84.5	Confident	7 Å²	7	60.2 Å²	60.2	4%	0.037	33%	0.333	C	S	.	.	H	α-helix	trans	-64.3	-40	174.4	-81.4	171.3	0	0	0	112.4	L629 T636 C637 A638 H643 V644 V659 M663 V677	L629-L640 HydrophobicContact CD1-CD1 3.64Å; T636-L640 WeakPolarHBondContact O-CG 3.33Å; T636-L640 PolarHBondContact O-N 2.77Å; C637-L640 PolarHBondContact O-N 3.26Å; A638-L640 VanDerWaalsContact C-N 3.33Å; A638-L640 PolarHBondContact O-N 2.82Å; L640-H643 PolarHBondContact O-N 2.76Å; L640-V644 WeakPolarHBondContact O-CB 3.35Å; L640-V644 WeakPolarHBondContact O-CG2 3.25Å; L640-V644 PolarHBondContact O-N 3.35Å; L640-V659 HydrophobicContact CD2-CG1 4.48Å; L640-M663 HydrophobicContact CD1-CE 3.48Å; L640-M663 VanDerWaalsContact CD1-CE 3.48Å; L640-M663 HydrophobicContact CD1-SD 3.82Å; L640-M663 HydrophobicContact CD2-CE 4.4Å; L640-M663 HydrophobicContact CD2-SD 3.64Å; L640-M663 HydrophobicContact CG-CE 4Å; L640-M663 HydrophobicContact CG-SD 3.89Å; L640-V677 HydrophobicContact CB-CG2 4.12Å; L640-V677 HydrophobicContact CD1-CG2 4.41Å
641	K	89.9	Confident	83.1	Confident	34 Å²	34	61.8 Å²	61.8	15%	0.148	34%	0.343	C	S	.	.	H	α-helix	trans	-60.1	-50.7	177.2	-163.9	176.4	177.6	-174.4	0	109.7	C637 A638 H643 V644 T645 V677 F678 V683 L684	C637-K641 WeakPolarHBondContact O-CB 3.4Å; C637-K641 PolarHBondContact O-N 3.41Å; A638-K641 WeakPolarHBondContact O-CB 3.5Å; A638-K641 PolarHBondContact O-N 2.79Å; K641-H643 PolarHBondContact O-N 3.18Å; K641-V644 PolarHBondContact O-N 3.44Å; K641-T645 VanDerWaalsContact O-CG2 3.31Å; K641-T645 WeakPolarHBondContact O-CG2 3.33Å; K641-T645 PolarHBondContact O-N 3.28Å; K641-T645 PolarHBondContact O-OG1 3.45Å; K641-T645 VanDerWaalsContact O-OG1 3.07Å; K641-V677 HydrophobicContact CB-CG1 3.43Å; K641-V677 VanDerWaalsContact CB-CG1 3.43Å; K641-V677 HydrophobicContact CD-CG1 4.4Å; K641-V677 HydrophobicContact CG-CG1 3.92Å; K641-F678 HydrophobicContact CG-CD2 4.26Å; K641-F678 HydrophobicContact CG-CE2 3.93Å; K641-F678 HydrophobicContact CG-CZ 4.24Å; K641-V683 HydrophobicContact CB-CG1 4.27Å; K641-V683 HydrophobicContact CD-CG1 3.7Å; K641-V683 PolarHBondContact NZ-O 2.71Å; K641-L684 VanDerWaalsContact NZ-C 3.32Å; K641-L684 PolarHBondContact NZ-OXT 3.4Å
642	E	88.2	Confident	82.1	Confident	110 Å²	110	63.9 Å²	63.9	51%	0.514	36%	0.357	S	S	.	.	H	α-helix	trans	-58.7	-48.7	177.5	-172.6	179.1	-179.3	0	0	110.8	A638 L639 V644 T645 L646	A638-E642 WeakPolarHBondContact O-CB 3.34Å; A638-E642 PolarHBondContact O-N 2.96Å; L639-E642 PolarHBondContact O-N 2.78Å; E642-V644 PolarHBondContact O-N 2.82Å; E642-T645 VanDerWaalsContact CA-OG1 3.29Å; E642-T645 WeakPolarHBondContact CA-OG1 3.35Å; E642-T645 PolarHBondContact O-N 3.48Å; E642-T645 VanDerWaalsContact O-N 3.14Å; E642-T645 PolarHBondContact O-OG1 3.19Å; E642-L646 HydrophobicContact CG-CD1 3.69Å; E642-L646 HydrophobicContact CG-CG 4.24Å; E642-L646 WeakPolarHBondContact O-CB 3.32Å; E642-L646 WeakPolarHBondContact O-CG 3.19Å; E642-L646 PolarHBondContact O-N 2.95Å
643	H	85.2	Confident	81.1	Confident	42 Å²	42	70.4 Å²	70.4	19%	0.194	39%	0.385	C	S	.	.	H	α-helix	trans	-58.9	-47	178.7	-157.9	71.5	0	0	0	112	L639 L640 K641 T645 L646 F647 H655 W656	L639-H643 VanDerWaalsContact O-CB 3.25Å; L639-H643 WeakPolarHBondContact O-CB 3.35Å; L639-H643 PolarHBondContact O-N 3.07Å; L640-H643 PolarHBondContact O-N 2.76Å; K641-H643 PolarHBondContact O-N 3.18Å; H643-T645 VanDerWaalsContact C-N 3.31Å; H643-T645 PolarHBondContact O-N 3Å; H643-L646 PolarHBondContact O-N 3.18Å; H643-F647 AromaticContact CE1-CD2 3.4Å; H643-F647 WeakPolarHBondContact CE1-CD2 3.42Å; H643-F647 AromaticContact CE1-CE2 3.33Å; H643-F647 WeakPolarHBondContact CE1-CE2 3.19Å; H643-F647 AromaticContact CG-CD2 3.85Å; H643-F647 AromaticContact ND1-CD2 3.4Å; H643-F647 WeakPolarHBondContact ND1-CD2 3.31Å; H643-F647 AromaticContact ND1-CE2 3.33Å; H643-F647 VanDerWaalsContact ND1-CE2 3.33Å; H643-F647 WeakPolarHBondContact ND1-CE2 3.48Å; H643-F647 AromaticContact NE2-CD2 3.86Å; H643-F647 WeakPolarHBondContact O-CB 3.3Å; H643-F647 VanDerWaalsContact O-CD2 3.31Å; H643-F647 WeakPolarHBondContact O-CD2 3.43Å; H643-F647 PolarHBondContact O-N 3.31Å; H643-H655 AromaticContact CE1-NE2 3.33Å; H643-H655 PolarHBondContact CE1-NE2 3.14Å; H643-H655 VanDerWaalsContact CE1-NE2 3.33Å; H643-H655 AromaticContact NE2-CD2 3.66Å; H643-H655 AromaticContact NE2-NE2 2.93Å; H643-H655 PolarHBondContact NE2-NE2 3.26Å; H643-W656 AromaticContact CD2-CH2 3.41Å; H643-W656 VanDerWaalsContact CD2-CH2 3.41Å; H643-W656 WeakPolarHBondContact CD2-CH2 3.27Å; H643-W656 AromaticContact CD2-CZ3 3.62Å
644	V	84.8	Confident	80.5	Confident	0 Å²	0	73 Å²	73	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-64.7	-35.3	177.5	171.8	0	0	0	0	111.8	L640 K641 E642 N648 W656 K674	L640-V644 WeakPolarHBondContact O-CB 3.35Å; L640-V644 WeakPolarHBondContact O-CG2 3.25Å; L640-V644 PolarHBondContact O-N 3.35Å; K641-V644 PolarHBondContact O-N 3.44Å; E642-V644 PolarHBondContact O-N 2.82Å; V644-N648 PolarHBondContact O-OD1 3.46Å; V644-N648 VanDerWaalsContact O-OD1 3.1Å; V644-W656 HydrophobicContact CB-CH2 4.09Å; V644-W656 HydrophobicContact CG2-CH2 3.46Å; V644-W656 VanDerWaalsContact CG2-CH2 3.46Å; V644-W656 HydrophobicContact CG2-CZ2 4.46Å; V644-W656 HydrophobicContact CG2-CZ3 3.77Å; V644-K674 HydrophobicContact CG1-CB 3.7Å; V644-K674 HydrophobicContact CG1-CD 3.73Å; V644-K674 HydrophobicContact CG1-CG 3.6Å
645	T	83.2	Confident	80	Confident	63 Å²	63	73.7 Å²	73.7	39%	0.387	40%	0.398	S	S	.	.	H	α-helix	trans	-73	-41.5	177.5	52	0	0	0	0	113.7	K641 E642 H643 N648 F678	K641-T645 VanDerWaalsContact O-CG2 3.31Å; K641-T645 WeakPolarHBondContact O-CG2 3.33Å; K641-T645 PolarHBondContact O-N 3.28Å; K641-T645 PolarHBondContact O-OG1 3.45Å; K641-T645 VanDerWaalsContact O-OG1 3.07Å; E642-T645 VanDerWaalsContact CA-OG1 3.29Å; E642-T645 WeakPolarHBondContact CA-OG1 3.35Å; E642-T645 PolarHBondContact O-N 3.48Å; E642-T645 VanDerWaalsContact O-N 3.14Å; E642-T645 PolarHBondContact O-OG1 3.19Å; H643-T645 VanDerWaalsContact C-N 3.31Å; H643-T645 PolarHBondContact O-N 3Å; T645-N648 PolarHBondContact O-ND2 2.95Å; T645-F678 HydrophobicContact CG2-CE2 4.16Å; T645-F678 HydrophobicContact CG2-CZ 3.59Å
646	L	80.9	Confident	79.5	Confident	115 Å²	115	71.4 Å²	71.4	60%	0.602	38%	0.376	S	S	*	.	H	α-helix	trans	-72.6	-41.5	-177.1	-73.2	173.4	0	0	0	111.5	E642 H643 N648	E642-L646 HydrophobicContact CG-CD1 3.69Å; E642-L646 HydrophobicContact CG-CG 4.24Å; E642-L646 WeakPolarHBondContact O-CB 3.32Å; E642-L646 WeakPolarHBondContact O-CG 3.19Å; E642-L646 PolarHBondContact O-N 2.95Å; H643-L646 PolarHBondContact O-N 3.18Å; L646-N648 VanDerWaalsContact C-N 3.31Å; L646-N648 PolarHBondContact O-N 3.23Å
647	F	70.7	Confident	79.1	Confident	84 Å²	84	73.5 Å²	73.5	37%	0.368	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	40.1	-171	-67.2	-70.2	0	0	0	112.9	H643 T649 T651 W656	H643-F647 AromaticContact CE1-CD2 3.4Å; H643-F647 WeakPolarHBondContact CE1-CD2 3.42Å; H643-F647 AromaticContact CE1-CE2 3.33Å; H643-F647 WeakPolarHBondContact CE1-CE2 3.19Å; H643-F647 AromaticContact CG-CD2 3.85Å; H643-F647 AromaticContact ND1-CD2 3.4Å; H643-F647 WeakPolarHBondContact ND1-CD2 3.31Å; H643-F647 AromaticContact ND1-CE2 3.33Å; H643-F647 VanDerWaalsContact ND1-CE2 3.33Å; H643-F647 WeakPolarHBondContact ND1-CE2 3.48Å; H643-F647 AromaticContact NE2-CD2 3.86Å; H643-F647 WeakPolarHBondContact O-CB 3.3Å; H643-F647 VanDerWaalsContact O-CD2 3.31Å; H643-F647 WeakPolarHBondContact O-CD2 3.43Å; H643-F647 PolarHBondContact O-N 3.31Å; F647-T649 VanDerWaalsContact C-N 3.33Å; F647-T649 PolarHBondContact O-N 3.35Å; F647-T651 HydrophobicContact CB-CG2 3.61Å; F647-T651 HydrophobicContact CD1-CG2 3.34Å; F647-T651 HydrophobicContact CE1-CG2 4.19Å; F647-T651 HydrophobicContact CG-CG2 3.67Å; F647-T651 PolarHBondContact O-OG1 3.41Å; F647-W656 HydrophobicContact CB-CZ2 4.02Å
648	N	63.7	Low	78.8	Confident	61 Å²	61	75.8 Å²	75.8	33%	0.326	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-22.9	-162.9	-106.4	-38.4	0	0	0	115.3	V644 T645 L646 R670	V644-N648 PolarHBondContact O-OD1 3.46Å; V644-N648 VanDerWaalsContact O-OD1 3.1Å; T645-N648 PolarHBondContact O-ND2 2.95Å; L646-N648 VanDerWaalsContact C-N 3.31Å; L646-N648 PolarHBondContact O-N 3.23Å; N648-R670 VanDerWaalsContact C-NH2 3.3Å; N648-R670 VanDerWaalsContact O-CZ 3.31Å; N648-R670 PolarHBondContact O-NH1 2.87Å; N648-R670 PolarHBondContact O-NH2 2.67Å; N648-R670 PolarHBondContact OD1-NH2 3.27Å
649	T	60	Low	78.5	Confident	127 Å²	127	75.3 Å²	75.3	78%	0.779	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.2	-17.6	-171	48	0	0	0	0	116.4	F647	F647-T649 VanDerWaalsContact C-N 3.33Å; F647-T649 PolarHBondContact O-N 3.35Å
650	E	56.6	Low	78.5	Confident	187 Å²	187	70.2 Å²	70.2	87%	0.874	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-6	-168.9	-66.2	-176.1	172.6	0	0	114.9
651	T	64.5	Low	78.5	Confident	35 Å²	35	74 Å²	74	22%	0.215	39%	0.394	C	S	.	.	S	Bend	trans	-79.3	136.7	178.2	33.6	0	0	0	0	111.3	F647 W656	F647-T651 HydrophobicContact CB-CG2 3.61Å; F647-T651 HydrophobicContact CD1-CG2 3.34Å; F647-T651 HydrophobicContact CE1-CG2 4.19Å; F647-T651 HydrophobicContact CG-CG2 3.67Å; F647-T651 PolarHBondContact O-OG1 3.41Å; T651-W656 PolarHBondContact OG1-NE1 3.17Å
652	S	71.8	Confident	78.3	Confident	65 Å²	65	80.5 Å²	80.5	46%	0.455	43%	0.425	S	S	.	.			trans	-61.6	145.1	170.9	64.7	0	0	0	0	110	D654 H655	S652-D654 PolarHBondContact O-N 3.35Å; S652-H655 PolarHBondContact O-N 3.47Å; S652-H655 VanDerWaalsContact O-N 3.07Å; S652-H655 PolarHBondContact OG-N 2.94Å
653	E	73.1	Confident	78.2	Confident	166 Å²	166	78.1 Å²	78.1	78%	0.776	41%	0.414	S	S	*	.	H	α-helix	trans	-52.8	-34.2	171.7	-79.1	-170.8	146.7	0	0	111.4	H655 W656 V657	E653-H655 VanDerWaalsContact C-N 3.3Å; E653-H655 PolarHBondContact O-N 2.86Å; E653-W656 WeakPolarHBondContact O-CB 3.4Å; E653-W656 PolarHBondContact O-N 2.82Å; E653-W656 VanDerWaalsContact O-N 3.11Å; E653-V657 WeakPolarHBondContact O-CG2 3.43Å; E653-V657 PolarHBondContact O-N 3.33Å
654	D	79.9	Confident	78.4	Confident	128 Å²	128	84 Å²	84	68%	0.684	44%	0.439	S	S	*	.	H	α-helix	trans	-57.1	-39.4	177.4	-60.7	-34	0	0	0	113.3	S652 V657 A658	S652-D654 PolarHBondContact O-N 3.35Å; D654-V657 PolarHBondContact O-N 3.04Å; D654-A658 WeakPolarHBondContact O-CB 3.48Å; D654-A658 PolarHBondContact O-N 3.45Å
655	H	83.6	Confident	78.7	Confident	71 Å²	71	84.3 Å²	84.3	33%	0.329	44%	0.441	S	S	.	.	H	α-helix	trans	-65.7	-42.4	177.5	177.8	74.6	0	0	0	111.1	H643 S652 E653 A658 V659	H643-H655 AromaticContact CE1-NE2 3.33Å; H643-H655 PolarHBondContact CE1-NE2 3.14Å; H643-H655 VanDerWaalsContact CE1-NE2 3.33Å; H643-H655 AromaticContact NE2-CD2 3.66Å; H643-H655 AromaticContact NE2-NE2 2.93Å; H643-H655 PolarHBondContact NE2-NE2 3.26Å; S652-H655 PolarHBondContact O-N 3.47Å; S652-H655 VanDerWaalsContact O-N 3.07Å; S652-H655 PolarHBondContact OG-N 2.94Å; E653-H655 VanDerWaalsContact C-N 3.3Å; E653-H655 PolarHBondContact O-N 2.86Å; H655-A658 PolarHBondContact O-N 2.86Å; H655-V659 WeakPolarHBondContact O-CG2 3.31Å; H655-V659 PolarHBondContact O-N 2.87Å
656	W	81.6	Confident	79	Confident	15 Å²	15	86 Å²	86	6%	0.057	44%	0.444	C	S	.	.	H	α-helix	trans	-63.5	-44.2	176.3	-80.2	106.2	0	0	0	112.1	H643 V644 F647 T651 E653 A658 V659 L660 R670	H643-W656 AromaticContact CD2-CH2 3.41Å; H643-W656 VanDerWaalsContact CD2-CH2 3.41Å; H643-W656 WeakPolarHBondContact CD2-CH2 3.27Å; H643-W656 AromaticContact CD2-CZ3 3.62Å; V644-W656 HydrophobicContact CB-CH2 4.09Å; V644-W656 HydrophobicContact CG2-CH2 3.46Å; V644-W656 VanDerWaalsContact CG2-CH2 3.46Å; V644-W656 HydrophobicContact CG2-CZ2 4.46Å; V644-W656 HydrophobicContact CG2-CZ3 3.77Å; F647-W656 HydrophobicContact CB-CZ2 4.02Å; T651-W656 PolarHBondContact OG1-NE1 3.17Å; E653-W656 WeakPolarHBondContact O-CB 3.4Å; E653-W656 PolarHBondContact O-N 2.82Å; E653-W656 VanDerWaalsContact O-N 3.11Å; W656-A658 VanDerWaalsContact C-N 3.29Å; W656-A658 PolarHBondContact O-N 3.38Å; W656-V659 PolarHBondContact O-N 3.41Å; W656-L660 WeakPolarHBondContact O-CB 3.28Å; W656-L660 VanDerWaalsContact O-CG 3.28Å; W656-L660 WeakPolarHBondContact O-CG 3.23Å; W656-L660 PolarHBondContact O-N 3.41Å; W656-R670 HydrophobicContact CD2-CG 4.3Å; W656-R670 HydrophobicContact CE3-CG 4.5Å; W656-R670 HydrophobicContact CZ2-CG 4.47Å
657	V	82.2	Confident	79.5	Confident	80 Å²	80	83.9 Å²	83.9	49%	0.485	43%	0.433	S	S	.	.	H	α-helix	trans	-59.1	-43	176	172.1	0	0	0	0	110.6	E653 D654 L660 N661	E653-V657 WeakPolarHBondContact O-CG2 3.43Å; E653-V657 PolarHBondContact O-N 3.33Å; D654-V657 PolarHBondContact O-N 3.04Å; V657-L660 PolarHBondContact O-N 3.06Å; V657-N661 WeakPolarHBondContact CG1-ND2 3.47Å; V657-N661 VanDerWaalsContact O-CB 3.3Å; V657-N661 WeakPolarHBondContact O-CB 3.4Å; V657-N661 PolarHBondContact O-N 2.76Å; V657-N661 PolarHBondContact O-ND2 2.99Å; V657-N661 VanDerWaalsContact O-ND2 3.16Å
658	A	85.7	Confident	80.4	Confident	49 Å²	49	80.3 Å²	80.3	41%	0.405	42%	0.418	S	S	.	.	H	α-helix	trans	-61.5	-49.4	177.5	0	0	0	0	0	112.6	D654 H655 W656 L660 N661 E662	D654-A658 WeakPolarHBondContact O-CB 3.48Å; D654-A658 PolarHBondContact O-N 3.45Å; H655-A658 PolarHBondContact O-N 2.86Å; W656-A658 VanDerWaalsContact C-N 3.29Å; W656-A658 PolarHBondContact O-N 3.38Å; A658-L660 PolarHBondContact O-N 2.79Å; A658-N661 WeakPolarHBondContact O-CB 3.46Å; A658-N661 PolarHBondContact O-N 3.01Å; A658-E662 PolarHBondContact O-N 2.93Å
659	V	85.9	Confident	81.6	Confident	28 Å²	28	81.3 Å²	81.3	17%	0.17	42%	0.423	C	S	.	.	H	α-helix	trans	-60.2	-45.5	178.6	172.9	0	0	0	0	111.2	L640 H655 W656 N661 E662 M663	L640-V659 HydrophobicContact CD2-CG1 4.48Å; H655-V659 WeakPolarHBondContact O-CG2 3.31Å; H655-V659 PolarHBondContact O-N 2.87Å; W656-V659 PolarHBondContact O-N 3.41Å; V659-N661 VanDerWaalsContact C-N 3.34Å; V659-N661 PolarHBondContact O-N 3.46Å; V659-E662 PolarHBondContact O-N 3.48Å; V659-M663 HydrophobicContact CG1-SD 4.49Å; V659-M663 WeakPolarHBondContact O-CG 3.26Å; V659-M663 PolarHBondContact O-N 3.45Å
660	L	88.3	Confident	82.8	Confident	8 Å²	8	78.4 Å²	78.4	4%	0.042	40%	0.398	C	S	.	.	H	α-helix	trans	-67.7	-34.7	179.9	-65.6	179.6	0	0	0	112.1	W656 V657 A658 M663 K664 L665 L668 V673	W656-L660 WeakPolarHBondContact O-CB 3.28Å; W656-L660 VanDerWaalsContact O-CG 3.28Å; W656-L660 WeakPolarHBondContact O-CG 3.23Å; W656-L660 PolarHBondContact O-N 3.41Å; V657-L660 PolarHBondContact O-N 3.06Å; A658-L660 PolarHBondContact O-N 2.79Å; L660-M663 CarbonylContact O-C 3.6Å; L660-M663 PolarHBondContact O-N 3.31Å; L660-K664 PolarHBondContact O-N 2.88Å; L660-L665 HydrophobicContact CB-CB 4.44Å; L660-L665 HydrophobicContact CD2-CB 4.14Å; L660-L665 CarbonylContact O-C 3.57Å; L660-L665 WeakPolarHBondContact O-CA 3.12Å; L660-L665 PolarHBondContact O-N 3.18Å; L660-L668 VanDerWaalsContact CD1-O 3.28Å; L660-L668 WeakPolarHBondContact CD1-O 3.47Å; L660-V673 HydrophobicContact CD1-CG2 4.49Å; L660-V673 HydrophobicContact CD2-CG2 3.84Å
661	N	88.1	Confident	84.3	Confident	87 Å²	87	74.9 Å²	74.9	47%	0.465	39%	0.385	S	S	.	.	H	α-helix	trans	-62.2	-46	173.3	-77.6	-25.6	0	0	0	112.2	V657 A658 V659 M663 K664 H666	V657-N661 WeakPolarHBondContact CG1-ND2 3.47Å; V657-N661 VanDerWaalsContact O-CB 3.3Å; V657-N661 WeakPolarHBondContact O-CB 3.4Å; V657-N661 PolarHBondContact O-N 2.76Å; V657-N661 PolarHBondContact O-ND2 2.99Å; V657-N661 VanDerWaalsContact O-ND2 3.16Å; A658-N661 WeakPolarHBondContact O-CB 3.46Å; A658-N661 PolarHBondContact O-N 3.01Å; V659-N661 VanDerWaalsContact C-N 3.34Å; V659-N661 PolarHBondContact O-N 3.46Å; N661-M663 PolarHBondContact O-N 3.22Å; N661-K664 PolarHBondContact O-N 3.31Å; N661-H666 WeakPolarHBondContact OD1-CB 3.45Å
662	E	87	Confident	85.6	Confident	169 Å²	169	74 Å²	74	79%	0.79	38%	0.379	S	S	*	.	H	α-helix	trans	-59	-34	177.6	-73.1	-171.8	169.5	0	0	112.1	A658 V659 K664	A658-E662 PolarHBondContact O-N 2.93Å; V659-E662 PolarHBondContact O-N 3.48Å; E662-K664 VanDerWaalsContact C-N 3.32Å
663	M	86.6	Confident	86.6	Confident	60 Å²	60	70.9 Å²	70.9	30%	0.296	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	1.3	178.6	-61.2	-170.9	72.4	0	0	114.1	T636 L640 V659 L660 N661 L665	T636-M663 HydrophobicContact CG2-CE 3.14Å; L640-M663 HydrophobicContact CD1-CE 3.48Å; L640-M663 VanDerWaalsContact CD1-CE 3.48Å; L640-M663 HydrophobicContact CD1-SD 3.82Å; L640-M663 HydrophobicContact CD2-CE 4.4Å; L640-M663 HydrophobicContact CD2-SD 3.64Å; L640-M663 HydrophobicContact CG-CE 4Å; L640-M663 HydrophobicContact CG-SD 3.89Å; V659-M663 HydrophobicContact CG1-SD 4.49Å; V659-M663 WeakPolarHBondContact O-CG 3.26Å; V659-M663 PolarHBondContact O-N 3.45Å; L660-M663 CarbonylContact O-C 3.6Å; L660-M663 PolarHBondContact O-N 3.31Å; N661-M663 PolarHBondContact O-N 3.22Å; M663-L665 HydrophobicContact CB-CB 4.48Å; M663-L665 HydrophobicContact CB-CD1 4.07Å; M663-L665 HydrophobicContact CB-CG 4.05Å; M663-L665 HydrophobicContact CE-CD1 4.49Å; M663-L665 PolarHBondContact O-N 3.05Å
664	K	88.7	Confident	87.4	Confident	166 Å²	166	66.3 Å²	66.3	72%	0.722	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	30.1	-172.5	-52.8	-180	178.8	-178.8	0	113.3	L660 N661 E662	L660-K664 PolarHBondContact O-N 2.88Å; N661-K664 PolarHBondContact O-N 3.31Å; E662-K664 VanDerWaalsContact C-N 3.32Å
665	L	90.8	Very high	88	Confident	6 Å²	6	65.4 Å²	65.4	3%	0.031	33%	0.325	C	S	.	.			trans	-106.8	29.8	176.6	-60.8	178.3	0	0	0	111.9	Q625 L629 L660 M663 L667 L668	Q625-L665 HydrophobicContact CB-CD2 3.9Å; Q625-L665 HydrophobicContact CG-CD2 4.31Å; Q625-L665 PolarHBondContact OE1-O 3.17Å; L629-L665 HydrophobicContact CB-CD1 4.35Å; L629-L665 HydrophobicContact CB-CD2 4.37Å; L629-L665 HydrophobicContact CD1-CD1 4.02Å; L629-L665 HydrophobicContact CD2-CD1 4.39Å; L629-L665 HydrophobicContact CG-CD1 4.48Å; L660-L665 HydrophobicContact CB-CB 4.44Å; L660-L665 HydrophobicContact CD2-CB 4.14Å; L660-L665 CarbonylContact O-C 3.57Å; L660-L665 WeakPolarHBondContact O-CA 3.12Å; L660-L665 PolarHBondContact O-N 3.18Å; M663-L665 HydrophobicContact CB-CB 4.48Å; M663-L665 HydrophobicContact CB-CD1 4.07Å; M663-L665 HydrophobicContact CB-CG 4.05Å; M663-L665 HydrophobicContact CE-CD1 4.49Å; M663-L665 PolarHBondContact O-N 3.05Å; L665-L667 PolarHBondContact O-N 2.96Å; L665-L667 VanDerWaalsContact O-N 3.16Å; L665-L668 HydrophobicContact CB-CD1 4.22Å; L665-L668 HydrophobicContact CB-CG 4.4Å; L665-L668 HydrophobicContact CD2-CD1 4.04Å; L665-L668 PolarHBondContact O-N 3.33Å
666	H	90.2	Very high	88.5	Confident	98 Å²	98	62.1 Å²	62.1	45%	0.454	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.4	-169.9	60.9	-87.4	0	0	0	115.6	Q625 N661	Q625-H666 PolarHBondContact NE2-CE1 3.41Å; Q625-H666 VanDerWaalsContact NE2-CE1 3.28Å; Q625-H666 PolarHBondContact NE2-ND1 3.3Å; N661-H666 WeakPolarHBondContact OD1-CB 3.45Å
667	L	90.4	Very high	89	Confident	71 Å²	71	61.4 Å²	61.4	37%	0.372	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-8.4	176.2	-59.6	175.8	0	0	0	112.5	Q621 R622 L665	Q621-L667 HydrophobicContact CB-CD1 3.34Å; Q621-L667 HydrophobicContact CG-CD1 4.48Å; R622-L667 HydrophobicContact CB-CB 4.26Å; R622-L667 HydrophobicContact CG-CB 4.2Å; L665-L667 PolarHBondContact O-N 2.96Å; L665-L667 VanDerWaalsContact O-N 3.16Å
668	L	91	Very high	89.5	Confident	9 Å²	9	61.9 Å²	61.9	5%	0.047	30%	0.302	C	S	.	.			trans	-88.3	144.5	178.1	-52	-170.2	0	0	0	109.5	R622 Q625 C626 L629 L660 L665 I672 V673	R622-L668 HydrophobicContact CG-CD2 3.61Å; Q625-L668 HydrophobicContact CB-CD1 4.05Å; Q625-L668 HydrophobicContact CB-CD2 3.9Å; Q625-L668 HydrophobicContact CB-CG 3.9Å; C626-L668 WeakPolarHBondContact SG-CD2 3.32Å; L629-L668 HydrophobicContact CD2-CD1 4.35Å; L660-L668 VanDerWaalsContact CD1-O 3.28Å; L660-L668 WeakPolarHBondContact CD1-O 3.47Å; L665-L668 HydrophobicContact CB-CD1 4.22Å; L665-L668 HydrophobicContact CB-CG 4.4Å; L665-L668 HydrophobicContact CD2-CD1 4.04Å; L665-L668 PolarHBondContact O-N 3.33Å; L668-I672 HydrophobicContact CB-CG2 4.5Å; L668-I672 HydrophobicContact CD2-CG2 4.23Å; L668-V673 HydrophobicContact CB-CG2 3.75Å; L668-V673 HydrophobicContact CD1-CG2 4.03Å
669	N	88.1	Confident	89.8	Confident	83 Å²	83	60.3 Å²	60.3	44%	0.444	29%	0.287	S	S	.	.			trans	-94.1	167.3	167.5	68	28.8	0	0	0	110.4	D671 I672 V673	N669-D671 VanDerWaalsContact C-N 3.27Å; N669-D671 PolarHBondContact O-N 3.41Å; N669-D671 PolarHBondContact OD1-N 3.05Å; N669-I672 PolarHBondContact O-N 3.35Å; N669-I672 WeakPolarHBondContact OD1-CB 3.31Å; N669-I672 VanDerWaalsContact OD1-CG1 3.24Å; N669-I672 WeakPolarHBondContact OD1-CG1 3.38Å; N669-I672 PolarHBondContact OD1-N 3.17Å; N669-V673 WeakPolarHBondContact O-CG2 3.42Å; N669-V673 PolarHBondContact O-N 2.74Å; N669-V673 VanDerWaalsContact O-N 3.11Å
670	R	85.2	Confident	90.2	Very high	65 Å²	65	59.1 Å²	59.1	25%	0.245	28%	0.28	C	S	.	.	H	α-helix	trans	-56.2	-39.3	-178.8	-179.5	179.6	164.6	-148.6	-21.2	113	N648 W656 V673 K674	N648-R670 VanDerWaalsContact C-NH2 3.3Å; N648-R670 VanDerWaalsContact O-CZ 3.31Å; N648-R670 PolarHBondContact O-NH1 2.87Å; N648-R670 PolarHBondContact O-NH2 2.67Å; N648-R670 PolarHBondContact OD1-NH2 3.27Å; W656-R670 HydrophobicContact CD2-CG 4.3Å; W656-R670 HydrophobicContact CE3-CG 4.5Å; W656-R670 HydrophobicContact CZ2-CG 4.47Å; R670-V673 PolarHBondContact O-N 3.31Å; R670-K674 VanDerWaalsContact O-CB 3.27Å; R670-K674 WeakPolarHBondContact O-CB 3.26Å; R670-K674 PolarHBondContact O-N 2.91Å
671	D	88.3	Confident	90.3	Very high	114 Å²	114	62.7 Å²	62.7	61%	0.61	30%	0.302	S	S	*	.	H	α-helix	trans	-69.1	-41.3	-177	-68.3	-38.7	0	0	0	112.4	N669 K674 K675	N669-D671 VanDerWaalsContact C-N 3.27Å; N669-D671 PolarHBondContact O-N 3.41Å; N669-D671 PolarHBondContact OD1-N 3.05Å; D671-K674 PolarHBondContact O-N 2.88Å; D671-K675 WeakPolarHBondContact O-CB 3.43Å; D671-K675 PolarHBondContact O-N 2.89Å
672	I	91.9	Very high	90.5	Very high	15 Å²	15	60.6 Å²	60.6	8%	0.077	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-49.1	174	-70.8	169.2	0	0	0	109.7	L577 L668 N669 K674 K675 I676	L577-I672 HydrophobicContact CD1-CG1 4.44Å; L577-I672 HydrophobicContact CD2-CG2 4.23Å; L668-I672 HydrophobicContact CB-CG2 4.5Å; L668-I672 HydrophobicContact CD2-CG2 4.23Å; N669-I672 PolarHBondContact O-N 3.35Å; N669-I672 WeakPolarHBondContact OD1-CB 3.31Å; N669-I672 VanDerWaalsContact OD1-CG1 3.24Å; N669-I672 WeakPolarHBondContact OD1-CG1 3.38Å; N669-I672 PolarHBondContact OD1-N 3.17Å; I672-K674 PolarHBondContact O-N 3.21Å; I672-K675 PolarHBondContact O-N 3.34Å; I672-I676 HydrophobicContact CG2-CD1 3.78Å; I672-I676 WeakPolarHBondContact O-CG1 3.41Å; I672-I676 PolarHBondContact O-N 3.33Å
673	V	91.5	Very high	90.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-47	179.4	172.8	0	0	0	0	110.9	L629 L660 L668 N669 R670 K675 I676 V677	L629-V673 HydrophobicContact CD2-CB 4.32Å; L629-V673 HydrophobicContact CD2-CG1 4.06Å; L629-V673 HydrophobicContact CD2-CG2 4.23Å; L660-V673 HydrophobicContact CD1-CG2 4.49Å; L660-V673 HydrophobicContact CD2-CG2 3.84Å; L668-V673 HydrophobicContact CB-CG2 3.75Å; L668-V673 HydrophobicContact CD1-CG2 4.03Å; N669-V673 WeakPolarHBondContact O-CG2 3.42Å; N669-V673 PolarHBondContact O-N 2.74Å; N669-V673 VanDerWaalsContact O-N 3.11Å; R670-V673 PolarHBondContact O-N 3.31Å; V673-K675 VanDerWaalsContact C-N 3.33Å; V673-K675 PolarHBondContact O-N 3.19Å; V673-I676 PolarHBondContact O-N 3.27Å; V673-V677 HydrophobicContact CG1-CG2 4.3Å; V673-V677 WeakPolarHBondContact O-CB 3.13Å; V673-V677 VanDerWaalsContact O-CG2 3.3Å; V673-V677 WeakPolarHBondContact O-CG2 3.39Å; V673-V677 PolarHBondContact O-N 2.93Å
674	K	90.8	Very high	90	Very high	71 Å²	71	60 Å²	60	31%	0.309	29%	0.293	S	S	.	.	H	α-helix	trans	-53.5	-52.6	175.4	-178.2	171.5	-179.3	176.5	0	110.4	V644 R670 D671 I672 I676 V677 F678	V644-K674 HydrophobicContact CG1-CB 3.7Å; V644-K674 HydrophobicContact CG1-CD 3.73Å; V644-K674 HydrophobicContact CG1-CG 3.6Å; R670-K674 VanDerWaalsContact O-CB 3.27Å; R670-K674 WeakPolarHBondContact O-CB 3.26Å; R670-K674 PolarHBondContact O-N 2.91Å; D671-K674 PolarHBondContact O-N 2.88Å; I672-K674 PolarHBondContact O-N 3.21Å; K674-I676 PolarHBondContact O-N 3.32Å; K674-V677 PolarHBondContact O-N 2.9Å; K674-F678 HydrophobicContact CG-CD2 3.89Å; K674-F678 HydrophobicContact CG-CE2 3.93Å; K674-F678 WeakPolarHBondContact O-CB 3.48Å; K674-F678 WeakPolarHBondContact O-CD2 3.31Å; K674-F678 PolarHBondContact O-N 3.47Å
675	K	92.2	Very high	90	Very high	109 Å²	109	54.7 Å²	54.7	47%	0.474	27%	0.272	S	S	.	.	H	α-helix	trans	-65	-41.9	-174.3	-157.2	167.1	-175.7	-175.7	0	111.8	L577 D671 I672 V673 F678 N679	L577-K675 HydrophobicContact CB-CD 4.13Å; L577-K675 HydrophobicContact CD1-CD 4.21Å; L577-K675 HydrophobicContact CD2-CB 4.08Å; L577-K675 HydrophobicContact CD2-CD 4.35Å; L577-K675 HydrophobicContact CD2-CG 4.36Å; L577-K675 HydrophobicContact CG-CD 4.47Å; D671-K675 WeakPolarHBondContact O-CB 3.43Å; D671-K675 PolarHBondContact O-N 2.89Å; I672-K675 PolarHBondContact O-N 3.34Å; V673-K675 VanDerWaalsContact C-N 3.33Å; V673-K675 PolarHBondContact O-N 3.19Å; K675-F678 PolarHBondContact O-N 3.26Å; K675-N679 WeakPolarHBondContact O-CB 3.29Å; K675-N679 PolarHBondContact O-N 3.07Å; K675-N679 PolarHBondContact O-OD1 3.35Å
676	I	93.9	Very high	90	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-48.5	175.8	-67.1	172.6	0	0	0	111.4	I576 L577 C626 L629 L630 I672 V673 K674 F678 N679 R680	I576-I676 HydrophobicContact CG2-CD1 4.25Å; I576-I676 HydrophobicContact CG2-CG1 4.38Å; L577-I676 HydrophobicContact CD2-CD1 4.21Å; L577-I676 HydrophobicContact CD2-CG1 3.65Å; C626-I676 HydrophobicContact CB-CD1 3.7Å; L629-I676 HydrophobicContact CB-CG2 4.26Å; L629-I676 HydrophobicContact CD2-CB 3.91Å; L629-I676 HydrophobicContact CD2-CD1 4.21Å; L629-I676 HydrophobicContact CD2-CG2 3.75Å; L629-I676 HydrophobicContact CG-CB 4.45Å; L629-I676 HydrophobicContact CG-CG2 3.73Å; L630-I676 HydrophobicContact CD2-CG2 3.75Å; L630-I676 HydrophobicContact CG-CG2 3.88Å; I672-I676 HydrophobicContact CG2-CD1 3.78Å; I672-I676 WeakPolarHBondContact O-CG1 3.41Å; I672-I676 PolarHBondContact O-N 3.33Å; V673-I676 PolarHBondContact O-N 3.27Å; K674-I676 PolarHBondContact O-N 3.32Å; I676-F678 VanDerWaalsContact C-N 3.33Å; I676-F678 PolarHBondContact O-N 3.17Å; I676-N679 PolarHBondContact O-N 3.05Å; I676-R680 PolarHBondContact O-N 3.48Å
677	V	92.8	Very high	90	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-67.2	-34.8	-177.6	173	0	0	0	0	111.8	L629 C637 L640 K641 V673 K674 N679 R680	L629-V677 HydrophobicContact CD1-CG2 4.11Å; L629-V677 HydrophobicContact CD2-CG2 4.18Å; L629-V677 HydrophobicContact CG-CG2 4.39Å; C637-V677 HydrophobicContact CB-CG1 4.48Å; C637-V677 WeakPolarHBondContact O-CG1 3.38Å; L640-V677 HydrophobicContact CB-CG2 4.12Å; L640-V677 HydrophobicContact CD1-CG2 4.41Å; K641-V677 HydrophobicContact CB-CG1 3.43Å; K641-V677 VanDerWaalsContact CB-CG1 3.43Å; K641-V677 HydrophobicContact CD-CG1 4.4Å; K641-V677 HydrophobicContact CG-CG1 3.92Å; V673-V677 HydrophobicContact CG1-CG2 4.3Å; V673-V677 WeakPolarHBondContact O-CB 3.13Å; V673-V677 VanDerWaalsContact O-CG2 3.3Å; V673-V677 WeakPolarHBondContact O-CG2 3.39Å; V673-V677 PolarHBondContact O-N 2.93Å; K674-V677 PolarHBondContact O-N 2.9Å; V677-N679 VanDerWaalsContact C-N 3.31Å; V677-R680 WeakPolarHBondContact O-CB 3.43Å; V677-R680 PolarHBondContact O-N 3.5Å
678	F	92.5	Very high	90	Very high	90 Å²	90	54 Å²	54	40%	0.395	27%	0.269	S	S	.	.	H	α-helix	trans	-73.3	-23.9	175.2	-86.5	-105.2	0	0	0	113.3	K641 T645 K674 K675 I676 R680	K641-F678 HydrophobicContact CG-CD2 4.26Å; K641-F678 HydrophobicContact CG-CE2 3.93Å; K641-F678 HydrophobicContact CG-CZ 4.24Å; T645-F678 HydrophobicContact CG2-CE2 4.16Å; T645-F678 HydrophobicContact CG2-CZ 3.59Å; K674-F678 HydrophobicContact CG-CD2 3.89Å; K674-F678 HydrophobicContact CG-CE2 3.93Å; K674-F678 WeakPolarHBondContact O-CB 3.48Å; K674-F678 WeakPolarHBondContact O-CD2 3.31Å; K674-F678 PolarHBondContact O-N 3.47Å; K675-F678 PolarHBondContact O-N 3.26Å; I676-F678 VanDerWaalsContact C-N 3.33Å; I676-F678 PolarHBondContact O-N 3.17Å; F678-R680 VanDerWaalsContact C-N 3.3Å
679	N	91.9	Very high	89.9	Confident	16 Å²	16	56.8 Å²	56.8	9%	0.086	28%	0.283	C	S	.	.	H	α-helix	trans	-81.2	-9.8	173.9	-70	-2.2	0	0	0	113.1	L577 V579 H580 C581 K675 I676 V677 T681	L577-N679 PolarHBondContact O-ND2 3.11Å; V579-N679 VanDerWaalsContact O-CB 3.31Å; V579-N679 WeakPolarHBondContact O-CB 3.42Å; H580-N679 WeakPolarHBondContact CA-O 3.46Å; H580-N679 PolarHBondContact CE1-OD1 2.91Å; C581-N679 PolarHBondContact N-O 3.31Å; K675-N679 WeakPolarHBondContact O-CB 3.29Å; K675-N679 PolarHBondContact O-N 3.07Å; K675-N679 PolarHBondContact O-OD1 3.35Å; I676-N679 PolarHBondContact O-N 3.05Å; V677-N679 VanDerWaalsContact C-N 3.31Å; N679-T681 PolarHBondContact O-N 3.17Å
680	R	93.4	Very high	90	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.015	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-70.6	109.1	175	-76.8	-72.5	-61.8	-89.8	-10.6	110.8	C581 L629 L630 S632 C637 I676 V677 F678 D682 V683	C581-R680 CarbonylContact O-C 3.53Å; C581-R680 VanDerWaalsContact O-CA 3.26Å; C581-R680 WeakPolarHBondContact O-CA 3.36Å; L629-R680 PolarHBondContact O-NH1 3.1Å; L630-R680 PolarHBondContact O-NH1 3.01Å; S632-R680 PolarHBondContact O-NH1 3.25Å; S632-R680 PolarHBondContact O-NH2 3.43Å; S632-R680 VanDerWaalsContact O-NH2 3.07Å; C637-R680 PolarHBondContact SG-NH1 2.72Å; C637-R680 VanDerWaalsContact SG-NH1 3.35Å; I676-R680 PolarHBondContact O-N 3.48Å; V677-R680 WeakPolarHBondContact O-CB 3.43Å; V677-R680 PolarHBondContact O-N 3.5Å; F678-R680 VanDerWaalsContact C-N 3.3Å; R680-D682 VanDerWaalsContact C-N 3.25Å; R680-D682 IonicContact CZ-OD1 3.53Å; R680-D682 IonicContact CZ-OD2 3.96Å; R680-D682 IonicContact NE-OD1 3.69Å; R680-D682 PolarHBondContact NE-OD1 3.14Å; R680-D682 IonicContact NE-OD2 2.96Å; R680-D682 IonicContact NH2-OD1 3.7Å; R680-D682 PolarHBondContact NH2-OD1 3.12Å; R680-D682 IonicContact NH2-OD2 3.09Å; R680-D682 PolarHBondContact NH2-OD2 2.89Å; R680-D682 PolarHBondContact O-N 2.86Å; R680-V683 HydrophobicContact CB-CB 4.06Å; R680-V683 HydrophobicContact CB-CG2 3.71Å; R680-V683 PolarHBondContact O-N 2.72Å
681	T	90.8	Very high	90.4	Very high	83 Å²	83	54.4 Å²	54.4	51%	0.509	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-17.6	-173.4	55	0	0	0	0	113.6	H580 C581 D582 N679	H580-T681 HydrophobicContact CB-CG2 3.96Å; C581-T681 PolarHBondContact O-N 3.44Å; C581-T681 PolarHBondContact O-OG1 3.44Å; D582-T681 PolarHBondContact N-OG1 3.38Å; N679-T681 PolarHBondContact O-N 3.17Å
682	D	92.3	Very high	90.5	Very high	43 Å²	43	49.8 Å²	49.8	23%	0.23	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-5.8	177.1	56.7	-18.6	0	0	0	113.5	D582 Q583 V634 R680	D582-D682 HydrophobicContact CB-CB 3.95Å; Q583-D682 WeakPolarHBondContact CB-OD2 3.38Å; Q583-D682 PolarHBondContact N-OD2 2.78Å; V634-D682 WeakPolarHBondContact CG1-O 3.43Å; V634-D682 HydrophobicContact CG2-CB 4.39Å; V634-D682 WeakPolarHBondContact CG2-OD2 3.41Å; R680-D682 VanDerWaalsContact C-N 3.25Å; R680-D682 IonicContact CZ-OD1 3.53Å; R680-D682 IonicContact CZ-OD2 3.96Å; R680-D682 IonicContact NE-OD1 3.69Å; R680-D682 PolarHBondContact NE-OD1 3.14Å; R680-D682 IonicContact NE-OD2 2.96Å; R680-D682 IonicContact NH2-OD1 3.7Å; R680-D682 PolarHBondContact NH2-OD1 3.12Å; R680-D682 IonicContact NH2-OD2 3.09Å; R680-D682 PolarHBondContact NH2-OD2 2.89Å; R680-D682 PolarHBondContact O-N 2.86Å
683	V	88.1	Confident	90.4	Very high	6 Å²	6	52.7 Å²	52.7	4%	0.036	26%	0.263	C	S	.	.			trans	-106	88.7	179	-176.4	0	0	0	0	108.5	V634 C637 A638 K641 R680	V634-V683 HydrophobicContact CG1-CG2 4.13Å; C637-V683 HydrophobicContact CB-CG2 3.54Å; A638-V683 HydrophobicContact CB-CG1 3.95Å; K641-V683 HydrophobicContact CB-CG1 4.27Å; K641-V683 HydrophobicContact CD-CG1 3.7Å; K641-V683 PolarHBondContact NZ-O 2.71Å; R680-V683 HydrophobicContact CB-CB 4.06Å; R680-V683 HydrophobicContact CB-CG2 3.71Å; R680-V683 PolarHBondContact O-N 2.72Å
684	L	74.7	Confident	90.3	Very high	209 Å²	209	57.5 Å²	57.5	100%	1.094	29%	0.287	S	S	*	.			trans	-66.4	0	-178.8	-66.7	173.8	0	0	0	112.3	K641	K641-L684 VanDerWaalsContact NZ-C 3.32Å; K641-L684 PolarHBondContact NZ-OXT 3.4Å

Retrieved 684 of 684 residues in 428.4 ms (Link to these results)

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