A0A3Q0KQ57_SCHMA Loading...

TPR_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQ57, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 796 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	23.6	Very low	34.7	Very low	252 Å²	252	128.4 Å²	128.4	100%	1.241	67%	0.674	S	S	*	*				0	50.5	0	-65.9	-167.6	-175.5	0	0	110.2
2	A	28.1	Very low	36.8	Very low	100 Å²	100	123.8 Å²	123.8	83%	0.826	65%	0.651	S	S	*	*			trans	-110.9	16.4	-176.8	0	0	0	0	0	112.4
3	E	27	Very low	38.6	Very low	179 Å²	179	120 Å²	120	84%	0.836	63%	0.631	S	S	*	*			trans	-129.6	6.6	-170.6	-75.2	-174.2	159.1	0	0	115.5
4	N	30.2	Very low	40.4	Very low	147 Å²	147	112.6 Å²	112.6	79%	0.786	59%	0.594	S	S	*	*			trans	-107.5	90.6	169.6	-76.3	3.3	0	0	0	109.7	E6	N4-E6 PolarHBondContact O-N 3.36Å
5	N	28.3	Very low	42.4	Very low	168 Å²	168	105.6 Å²	105.6	90%	0.898	56%	0.557	S	S	*	*			trans	-74.2	43.4	170.9	-84.1	-15.8	0	0	0	112.4
6	E	31.5	Very low	44.4	Very low	166 Å²	166	101.7 Å²	101.7	78%	0.776	54%	0.541	S	S	*	.	S	Bend	trans	-80.5	126.3	156.7	-74	-177.8	175.2	0	0	106.4	N4 Y8	N4-E6 PolarHBondContact O-N 3.36Å; E6-Y8 PolarHBondContact O-N 3.28Å
7	T	37.1	Very low	46	Very low	113 Å²	113	102.2 Å²	102.2	69%	0.693	54%	0.54	S	S	*	.			trans	-45.5	91.4	-177.9	39.1	0	0	0	0	112.1	C9	T7-C9 PolarHBondContact O-N 3.24Å
8	Y	32.1	Very low	47.9	Very low	178 Å²	178	96.7 Å²	96.7	70%	0.698	51%	0.511	S	S	*	.			trans	-78.4	89.4	179.4	-163.9	-93.7	0	0	0	108.6	E6 P10 D13	E6-Y8 PolarHBondContact O-N 3.28Å; Y8-P10 VanDerWaalsContact O-CD 3.24Å; Y8-P10 WeakPolarHBondContact O-CD 3.47Å; Y8-D13 VanDerWaalsContact CZ-OD2 3.31Å; Y8-D13 PolarHBondContact OH-OD2 3.48Å
9	C	44.4	Very low	49.4	Very low	21 Å²	21	98.2 Å²	98.2	14%	0.142	51%	0.512	C	S	.	.			trans	-81.4	109.6	169.3	-110.1	0	0	0	0	107.9	T7 H11 N12	T7-C9 PolarHBondContact O-N 3.24Å; C9-H11 PolarHBondContact O-N 3.44Å; C9-N12 PolarHBondContact O-N 3.42Å
10	P	48.5	Very low	50.8	Low	57 Å²	57	100.3 Å²	100.3	37%	0.37	52%	0.517	S	S	.	.	H	α-helix	trans	-56.4	-20.9	178.1	21.2	-32.1	0	0	0	113	Y8 C14	Y8-P10 VanDerWaalsContact O-CD 3.24Å; Y8-P10 WeakPolarHBondContact O-CD 3.47Å; P10-C14 PolarHBondContact O-N 2.98Å
11	H	51	Low	52.1	Low	31 Å²	31	96.6 Å²	96.6	14%	0.144	50%	0.498	C	S	.	.	H	α-helix	trans	-72	-25.4	174.4	-66.6	-70.4	0	0	0	114.7	C9 D13 C14 V15 S55 Y56 F367	C9-H11 PolarHBondContact O-N 3.44Å; H11-D13 VanDerWaalsContact C-N 3.28Å; H11-D13 PolarHBondContact O-N 3.35Å; H11-C14 PolarHBondContact O-N 3.3Å; H11-V15 WeakPolarHBondContact O-CB 3.31Å; H11-V15 WeakPolarHBondContact O-CG2 3.27Å; H11-V15 PolarHBondContact O-N 3.33Å; H11-S55 VanDerWaalsContact CE1-CB 3.49Å; H11-S55 WeakPolarHBondContact CE1-CB 3.13Å; H11-Y56 HydrophobicContact CB-CD2 4.38Å; H11-F367 AromaticContact CD2-CE1 3.33Å; H11-F367 WeakPolarHBondContact CD2-CE1 3.28Å; H11-F367 AromaticContact CD2-CZ 3.87Å; H11-F367 AromaticContact NE2-CE1 3.59Å
12	N	59.4	Low	54.8	Low	74 Å²	74	84.9 Å²	84.9	40%	0.396	44%	0.44	S	S	.	.	H	α-helix	trans	-64.7	-37.3	176.2	-76.6	-2.9	0	0	0	110.7	C9 S16	C9-N12 PolarHBondContact O-N 3.42Å; N12-S16 VanDerWaalsContact O-CB 3.29Å; N12-S16 WeakPolarHBondContact O-CB 3.45Å; N12-S16 PolarHBondContact O-N 3.38Å
13	D	60.8	Low	56.9	Low	74 Å²	74	83.9 Å²	83.9	40%	0.396	43%	0.427	S	S	.	.	H	α-helix	trans	-64.6	-46.9	173.7	-71.8	-21	0	0	0	110.8	Y8 H11 V15 S16 E17	Y8-D13 VanDerWaalsContact CZ-OD2 3.31Å; Y8-D13 PolarHBondContact OH-OD2 3.48Å; H11-D13 VanDerWaalsContact C-N 3.28Å; H11-D13 PolarHBondContact O-N 3.35Å; D13-V15 PolarHBondContact O-N 3.49Å; D13-S16 CarbonylContact O-C 3.6Å; D13-S16 WeakPolarHBondContact O-CA 3.38Å; D13-S16 WeakPolarHBondContact O-CB 3.46Å; D13-S16 PolarHBondContact O-N 3.27Å; D13-S16 VanDerWaalsContact O-N 3.16Å; D13-S16 PolarHBondContact O-OG 3.38Å; D13-E17 PolarHBondContact O-N 3.03Å
14	C	63.5	Low	59.1	Low	16 Å²	16	81.4 Å²	81.4	11%	0.108	42%	0.42	C	S	.	.	H	α-helix	trans	-65.3	-38.5	179.1	-60.8	0	0	0	0	113.2	P10 H11 S16 E17 I18 Y52	P10-C14 PolarHBondContact O-N 2.98Å; H11-C14 PolarHBondContact O-N 3.3Å; C14-S16 VanDerWaalsContact C-N 3.33Å; C14-E17 WeakPolarHBondContact O-CB 3.37Å; C14-E17 PolarHBondContact O-N 3.32Å; C14-I18 WeakPolarHBondContact O-CG1 3.5Å; C14-I18 PolarHBondContact O-N 2.87Å; C14-Y52 HydrophobicContact CB-CD1 3.8Å; C14-Y52 HydrophobicContact CB-CD2 3.82Å; C14-Y52 HydrophobicContact CB-CE1 4.13Å; C14-Y52 HydrophobicContact CB-CE2 4.16Å; C14-Y52 HydrophobicContact CB-CG 3.65Å; C14-Y52 WeakPolarHBondContact SG-CE1 3.49Å
15	V	71.2	Confident	61.1	Low	8 Å²	8	75.4 Å²	75.4	5%	0.048	39%	0.388	C	S	.	.	H	α-helix	trans	-69	-35.8	173.6	173.9	0	0	0	0	110.6	H11 D13 E17 I18 K19 Y56 Y71	H11-V15 WeakPolarHBondContact O-CB 3.31Å; H11-V15 WeakPolarHBondContact O-CG2 3.27Å; H11-V15 PolarHBondContact O-N 3.33Å; D13-V15 PolarHBondContact O-N 3.49Å; V15-E17 VanDerWaalsContact C-N 3.25Å; V15-E17 PolarHBondContact O-N 3.15Å; V15-I18 PolarHBondContact O-N 3.09Å; V15-K19 WeakPolarHBondContact O-CB 3.5Å; V15-K19 PolarHBondContact O-N 3.46Å; V15-Y56 HydrophobicContact CG2-CD1 4.03Å; V15-Y56 HydrophobicContact CG2-CD2 3.56Å; V15-Y56 HydrophobicContact CG2-CE1 4.44Å; V15-Y56 HydrophobicContact CG2-CE2 4.05Å; V15-Y56 HydrophobicContact CG2-CG 3.53Å; V15-Y71 HydrophobicContact CG1-CD1 3.88Å; V15-Y71 HydrophobicContact CG1-CD2 3.73Å; V15-Y71 HydrophobicContact CG1-CE1 4.29Å; V15-Y71 HydrophobicContact CG1-CE2 4.15Å; V15-Y71 HydrophobicContact CG1-CG 3.57Å
16	S	73.8	Confident	63.4	Low	43 Å²	43	71.1 Å²	71.1	30%	0.301	37%	0.369	S	S	.	.	H	α-helix	trans	-62.5	-34.2	171.4	87.8	0	0	0	0	112.1	N12 D13 C14 K19 K20	N12-S16 VanDerWaalsContact O-CB 3.29Å; N12-S16 WeakPolarHBondContact O-CB 3.45Å; N12-S16 PolarHBondContact O-N 3.38Å; D13-S16 CarbonylContact O-C 3.6Å; D13-S16 WeakPolarHBondContact O-CA 3.38Å; D13-S16 WeakPolarHBondContact O-CB 3.46Å; D13-S16 PolarHBondContact O-N 3.27Å; D13-S16 VanDerWaalsContact O-N 3.16Å; D13-S16 PolarHBondContact O-OG 3.38Å; C14-S16 VanDerWaalsContact C-N 3.33Å; S16-K19 WeakPolarHBondContact O-CB 3.26Å; S16-K19 PolarHBondContact O-N 2.76Å; S16-K20 VanDerWaalsContact O-CG 3.31Å; S16-K20 WeakPolarHBondContact O-CG 3.34Å; S16-K20 PolarHBondContact O-N 2.94Å
17	E	72	Confident	65.5	Low	110 Å²	110	63.5 Å²	63.5	51%	0.514	33%	0.333	S	S	.	.	H	α-helix	trans	-69.6	-45.7	172.8	-73	-173.5	160.2	0	0	111.7	D13 C14 V15 K19 K20 I21	D13-E17 PolarHBondContact O-N 3.03Å; C14-E17 WeakPolarHBondContact O-CB 3.37Å; C14-E17 PolarHBondContact O-N 3.32Å; V15-E17 VanDerWaalsContact C-N 3.25Å; V15-E17 PolarHBondContact O-N 3.15Å; E17-K19 PolarHBondContact O-N 3.02Å; E17-K20 PolarHBondContact O-N 3.28Å; E17-K20 VanDerWaalsContact O-N 3.11Å; E17-I21 WeakPolarHBondContact O-CD1 3.4Å; E17-I21 WeakPolarHBondContact O-CG1 3.39Å; E17-I21 PolarHBondContact O-N 3.1Å
18	I	79.4	Confident	67.2	Low	3 Å²	3	61.3 Å²	61.3	2%	0.015	32%	0.322	C	S	.	.	H	α-helix	trans	-55.7	-42.9	172.3	-67.8	171.2	0	0	0	109.9	C14 V15 I21 F22 V49 A53 F73 L100	C14-I18 WeakPolarHBondContact O-CG1 3.5Å; C14-I18 PolarHBondContact O-N 2.87Å; V15-I18 PolarHBondContact O-N 3.09Å; I18-I21 WeakPolarHBondContact O-CB 3.41Å; I18-I21 PolarHBondContact O-N 3.22Å; I18-F22 HydrophobicContact CG2-CD2 3.74Å; I18-F22 HydrophobicContact CG2-CE2 3.97Å; I18-F22 VanDerWaalsContact O-CD2 3.23Å; I18-F22 WeakPolarHBondContact O-CD2 3.25Å; I18-F22 PolarHBondContact O-N 3.42Å; I18-V49 HydrophobicContact CD1-CG1 4.27Å; I18-V49 HydrophobicContact CG1-CG1 4.31Å; I18-A53 HydrophobicContact CD1-CB 4.49Å; I18-F73 HydrophobicContact CG2-CZ 4.02Å; I18-L100 HydrophobicContact CG2-CD1 4.15Å
19	K	76.8	Confident	69.2	Low	125 Å²	125	60.6 Å²	60.6	54%	0.543	33%	0.326	S	S	.	.	H	α-helix	trans	-60.5	-46.4	175.5	-170.1	-179.6	-171.5	169.3	0	112.2	V15 S16 E17 I21 F22 S23 Y71	V15-K19 WeakPolarHBondContact O-CB 3.5Å; V15-K19 PolarHBondContact O-N 3.46Å; S16-K19 WeakPolarHBondContact O-CB 3.26Å; S16-K19 PolarHBondContact O-N 2.76Å; E17-K19 PolarHBondContact O-N 3.02Å; K19-I21 VanDerWaalsContact C-N 3.27Å; K19-I21 PolarHBondContact O-N 3.24Å; K19-F22 PolarHBondContact O-N 3.04Å; K19-S23 WeakPolarHBondContact O-CA 3.36Å; K19-S23 VanDerWaalsContact O-CB 3.29Å; K19-S23 WeakPolarHBondContact O-CB 3.34Å; K19-S23 PolarHBondContact O-N 3.44Å; K19-Y71 VanDerWaalsContact CA-OH 3.32Å; K19-Y71 WeakPolarHBondContact CA-OH 3.36Å; K19-Y71 HydrophobicContact CB-CE2 3.8Å; K19-Y71 WeakPolarHBondContact CB-OH 3.38Å; K19-Y71 HydrophobicContact CD-CE2 3.91Å; K19-Y71 HydrophobicContact CG-CE2 3.84Å
20	K	78.2	Confident	70.7	Confident	141 Å²	141	61.1 Å²	61.1	61%	0.613	33%	0.327	S	S	*	.	H	α-helix	trans	-63.4	-33.9	175.2	-72.8	169.1	-173.6	167.4	0	112.2	S16 E17 S23	S16-K20 VanDerWaalsContact O-CG 3.31Å; S16-K20 WeakPolarHBondContact O-CG 3.34Å; S16-K20 PolarHBondContact O-N 2.94Å; E17-K20 PolarHBondContact O-N 3.28Å; E17-K20 VanDerWaalsContact O-N 3.11Å; K20-S23 PolarHBondContact O-OG 2.88Å
21	I	77.5	Confident	72.5	Confident	23 Å²	23	62.5 Å²	62.5	12%	0.118	33%	0.331	C	S	.	.	H	α-helix	trans	-67.5	-43.9	178.6	-69.2	160.6	0	0	0	109.9	E17 I18 K19 I25 L39 R42 V44	E17-I21 WeakPolarHBondContact O-CD1 3.4Å; E17-I21 WeakPolarHBondContact O-CG1 3.39Å; E17-I21 PolarHBondContact O-N 3.1Å; I18-I21 WeakPolarHBondContact O-CB 3.41Å; I18-I21 PolarHBondContact O-N 3.22Å; K19-I21 VanDerWaalsContact C-N 3.27Å; K19-I21 PolarHBondContact O-N 3.24Å; I21-I25 WeakPolarHBondContact O-CD1 3.38Å; I21-L39 HydrophobicContact CG2-CD2 3.73Å; I21-R42 PolarHBondContact O-NH1 3.46Å; I21-V44 HydrophobicContact CD1-CG1 4.04Å; I21-V44 HydrophobicContact CD1-CG2 3.94Å; I21-V44 HydrophobicContact CG1-CG2 4.47Å
22	F	79.4	Confident	74.1	Confident	6 Å²	6	62.9 Å²	62.9	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-101.2	1.6	-173.4	-64	-67.9	0	0	0	115.1	I18 K19 D24 I25 L27 L35 L39 F73 L103	I18-F22 HydrophobicContact CG2-CD2 3.74Å; I18-F22 HydrophobicContact CG2-CE2 3.97Å; I18-F22 VanDerWaalsContact O-CD2 3.23Å; I18-F22 WeakPolarHBondContact O-CD2 3.25Å; I18-F22 PolarHBondContact O-N 3.42Å; K19-F22 PolarHBondContact O-N 3.04Å; F22-D24 PolarHBondContact O-N 2.93Å; F22-I25 HydrophobicContact CD1-CD1 4.11Å; F22-I25 HydrophobicContact CD1-CG2 4.5Å; F22-I25 PolarHBondContact O-N 3.3Å; F22-L27 HydrophobicContact CB-CD1 4.01Å; F22-L27 HydrophobicContact CB-CG 4.41Å; F22-L27 HydrophobicContact CD1-CD2 3.72Å; F22-L27 HydrophobicContact CD1-CG 4.35Å; F22-L27 HydrophobicContact CE1-CD2 4.13Å; F22-L27 HydrophobicContact CG-CD1 4.34Å; F22-L27 HydrophobicContact CG-CD2 4.25Å; F22-L35 HydrophobicContact CD1-CD1 4.33Å; F22-L35 HydrophobicContact CE1-CD1 3.53Å; F22-L35 HydrophobicContact CZ-CD1 4.15Å; F22-L39 HydrophobicContact CE1-CD2 4.39Å; F22-L39 HydrophobicContact CE2-CD2 4.34Å; F22-L39 HydrophobicContact CZ-CD1 4.26Å; F22-L39 HydrophobicContact CZ-CD2 3.73Å; F22-L39 HydrophobicContact CZ-CG 4.15Å; F22-F73 HydrophobicContact CB-CD1 4.5Å; F22-F73 HydrophobicContact CB-CE1 3.77Å; F22-F73 HydrophobicContact CD2-CE1 4.23Å; F22-F73 HydrophobicContact CD2-CZ 4.18Å; F22-F73 HydrophobicContact CG-CE1 4.31Å; F22-L103 HydrophobicContact CD2-CD2 4.01Å; F22-L103 HydrophobicContact CE2-CD2 3.67Å; F22-L103 HydrophobicContact CZ-CD1 4.48Å; F22-L103 HydrophobicContact CZ-CD2 4.11Å
23	S	73.3	Confident	75.4	Confident	78 Å²	78	63.1 Å²	63.1	55%	0.545	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-32.1	-178.8	58.8	0	0	0	0	113.8	K19 K20	K19-S23 WeakPolarHBondContact O-CA 3.36Å; K19-S23 VanDerWaalsContact O-CB 3.29Å; K19-S23 WeakPolarHBondContact O-CB 3.34Å; K19-S23 PolarHBondContact O-N 3.44Å; K20-S23 PolarHBondContact O-OG 2.88Å
24	D	72.5	Confident	76.6	Confident	128 Å²	128	62 Å²	62	68%	0.684	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	4.9	-173.3	-52.6	-17.3	0	0	0	112	F22	F22-D24 PolarHBondContact O-N 2.93Å
25	I	72.5	Confident	77.6	Confident	21 Å²	21	61.3 Å²	61.3	11%	0.108	33%	0.327	C	S	.	.	S	Bend	trans	-119.2	117.6	-165.8	-63.5	-177.2	0	0	0	108.8	I21 F22 L27 L30 N38	I21-I25 WeakPolarHBondContact O-CD1 3.38Å; F22-I25 HydrophobicContact CD1-CD1 4.11Å; F22-I25 HydrophobicContact CD1-CG2 4.5Å; F22-I25 PolarHBondContact O-N 3.3Å; I25-L27 VanDerWaalsContact C-N 3.27Å; I25-L27 PolarHBondContact O-N 3.38Å; I25-L30 HydrophobicContact CB-CD1 4.48Å; I25-L30 HydrophobicContact CG2-CD1 3.06Å; I25-L30 HydrophobicContact CG2-CD2 4.14Å; I25-L30 HydrophobicContact CG2-CG 4.23Å; I25-N38 HydrophobicContact CD1-CB 4.38Å
26	P	75.8	Confident	78.4	Confident	77 Å²	77	61.3 Å²	61.3	50%	0.5	33%	0.327	S	S	.	.			trans	-73.6	80.4	176.8	30.6	-34.1	0	0	0	110.6	S28 E29 L30	P26-S28 PolarHBondContact O-N 3.19Å; P26-E29 PolarHBondContact O-N 2.94Å; P26-L30 WeakPolarHBondContact O-CD1 3.32Å
27	L	76.4	Confident	79	Confident	7 Å²	7	63 Å²	63	4%	0.037	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-26.7	-176	-80.3	167.1	0	0	0	114.8	F22 I25 E29 L35 F73 L103	F22-L27 HydrophobicContact CB-CD1 4.01Å; F22-L27 HydrophobicContact CB-CG 4.41Å; F22-L27 HydrophobicContact CD1-CD2 3.72Å; F22-L27 HydrophobicContact CD1-CG 4.35Å; F22-L27 HydrophobicContact CE1-CD2 4.13Å; F22-L27 HydrophobicContact CG-CD1 4.34Å; F22-L27 HydrophobicContact CG-CD2 4.25Å; I25-L27 VanDerWaalsContact C-N 3.27Å; I25-L27 PolarHBondContact O-N 3.38Å; L27-E29 VanDerWaalsContact C-N 3.27Å; L27-E29 PolarHBondContact O-N 2.99Å; L27-L35 HydrophobicContact CD2-CD1 3.64Å; L27-F73 HydrophobicContact CD1-CB 4.04Å; L27-F73 HydrophobicContact CD1-CD1 3.31Å; L27-F73 HydrophobicContact CD1-CD2 3.93Å; L27-F73 HydrophobicContact CD1-CE1 3.53Å; L27-F73 HydrophobicContact CD1-CE2 4.14Å; L27-F73 HydrophobicContact CD1-CG 3.51Å; L27-F73 HydrophobicContact CD1-CZ 3.95Å; L27-L103 HydrophobicContact CD2-CD1 4.05Å
28	S	71.8	Confident	79.6	Confident	66 Å²	66	59.6 Å²	59.6	46%	0.462	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-28.3	176.9	51.9	0	0	0	0	114.2	P26	P26-S28 PolarHBondContact O-N 3.19Å
29	E	74.3	Confident	79.9	Confident	164 Å²	164	59.5 Å²	59.5	77%	0.766	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-11.2	-171.2	-64.2	-177	177	0	0	113.5	P26 L27	P26-E29 PolarHBondContact O-N 2.94Å; L27-E29 VanDerWaalsContact C-N 3.27Å; L27-E29 PolarHBondContact O-N 2.99Å
30	L	77	Confident	80.3	Confident	32 Å²	32	58.3 Å²	58.3	17%	0.168	32%	0.316	C	S	.	.			trans	-80.6	134.7	-178.7	-68.5	118.4	0	0	0	111.7	I25 P26 T34 N38 R106	I25-L30 HydrophobicContact CB-CD1 4.48Å; I25-L30 HydrophobicContact CG2-CD1 3.06Å; I25-L30 HydrophobicContact CG2-CD2 4.14Å; I25-L30 HydrophobicContact CG2-CG 4.23Å; P26-L30 WeakPolarHBondContact O-CD1 3.32Å; L30-T34 WeakPolarHBondContact CB-OG1 3.47Å; L30-T34 VanDerWaalsContact CD2-OG1 3.25Å; L30-T34 WeakPolarHBondContact CD2-OG1 3.43Å; L30-N38 WeakPolarHBondContact CD2-ND2 3.25Å; L30-R106 PolarHBondContact O-NH2 3.42Å
31	D	85	Confident	80.6	Confident	85 Å²	85	58.8 Å²	58.8	46%	0.455	32%	0.32	S	S	.	.			trans	-70.2	165.2	164	64.7	12.5	0	0	0	111	D33 T34 L35	D31-D33 PolarHBondContact O-N 3.02Å; D31-T34 PolarHBondContact N-OG1 3.49Å; D31-T34 PolarHBondContact O-N 2.72Å; D31-T34 PolarHBondContact O-OG1 2.83Å; D31-T34 VanDerWaalsContact O-OG1 3.05Å; D31-T34 WeakPolarHBondContact OD1-CA 3.41Å; D31-T34 WeakPolarHBondContact OD1-CB 3.32Å; D31-T34 WeakPolarHBondContact OD1-CG2 3.35Å; D31-T34 PolarHBondContact OD1-N 3.48Å; D31-T34 PolarHBondContact OD1-OG1 3.35Å; D31-L35 WeakPolarHBondContact O-CB 3.39Å; D31-L35 PolarHBondContact O-N 3.25Å; D31-L35 VanDerWaalsContact O-N 3.11Å
32	D	85.2	Confident	80.9	Confident	40 Å²	40	62.6 Å²	62.6	21%	0.214	33%	0.333	C	S	.	.	H	α-helix	trans	-65	-28.6	-178.7	-67	-16.7	0	0	0	112.3	V36 R106 K110	D32-V36 WeakPolarHBondContact O-CG2 3.47Å; D32-V36 PolarHBondContact O-N 2.95Å; D32-V36 VanDerWaalsContact O-N 3.16Å; D32-R106 IonicContact OD1-CZ 3.91Å; D32-R106 IonicContact OD1-NE 2.78Å; D32-R106 PolarHBondContact OD1-NE 2.85Å; D32-R106 IonicContact OD1-NH2 3.83Å; D32-R106 PolarHBondContact OD1-NH2 3.21Å; D32-K110 HydrophobicContact CB-CB 4.01Å; D32-K110 HydrophobicContact CB-CD 3.93Å; D32-K110 HydrophobicContact CB-CG 3.96Å
33	D	86.2	Confident	81.1	Confident	78 Å²	78	67.7 Å²	67.7	42%	0.417	37%	0.37	S	S	.	.	H	α-helix	trans	-67.4	-50.9	178.2	-80.4	-64.8	0	0	0	112.1	D31 L35 V36 N37 K110	D31-D33 PolarHBondContact O-N 3.02Å; D33-L35 VanDerWaalsContact C-N 3.29Å; D33-L35 PolarHBondContact O-N 3.08Å; D33-V36 PolarHBondContact O-N 3.4Å; D33-N37 WeakPolarHBondContact O-CB 3.49Å; D33-N37 PolarHBondContact O-N 2.92Å; D33-N37 PolarHBondContact O-ND2 2.98Å; D33-N37 VanDerWaalsContact O-ND2 3.12Å; D33-K110 VanDerWaalsContact CG-CE 3.46Å; D33-K110 WeakPolarHBondContact OD1-CE 3.3Å; D33-K110 IonicContact OD1-NZ 2.75Å; D33-K110 PolarHBondContact OD1-NZ 3.01Å; D33-K110 IonicContact OD2-NZ 2.63Å; D33-K110 PolarHBondContact OD2-NZ 3.39Å
34	T	85.9	Confident	81.6	Confident	51 Å²	51	65.7 Å²	65.7	31%	0.313	35%	0.354	S	S	.	.	H	α-helix	trans	-64.8	-35.5	176.5	55.4	0	0	0	0	111.3	L30 D31 N37 N38	L30-T34 WeakPolarHBondContact CB-OG1 3.47Å; L30-T34 VanDerWaalsContact CD2-OG1 3.25Å; L30-T34 WeakPolarHBondContact CD2-OG1 3.43Å; D31-T34 PolarHBondContact N-OG1 3.49Å; D31-T34 PolarHBondContact O-N 2.72Å; D31-T34 PolarHBondContact O-OG1 2.83Å; D31-T34 VanDerWaalsContact O-OG1 3.05Å; D31-T34 WeakPolarHBondContact OD1-CA 3.41Å; D31-T34 WeakPolarHBondContact OD1-CB 3.32Å; D31-T34 WeakPolarHBondContact OD1-CG2 3.35Å; D31-T34 PolarHBondContact OD1-N 3.48Å; D31-T34 PolarHBondContact OD1-OG1 3.35Å; T34-N37 PolarHBondContact O-N 3.48Å; T34-N38 VanDerWaalsContact O-CB 3.29Å; T34-N38 WeakPolarHBondContact O-CB 3.35Å; T34-N38 VanDerWaalsContact O-CG 3.31Å; T34-N38 PolarHBondContact O-N 3.41Å; T34-N38 PolarHBondContact O-ND2 3.45Å
35	L	85.8	Confident	82.4	Confident	2 Å²	2	62 Å²	62	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-59.5	-48.9	175.3	-173.6	74.9	0	0	0	111.7	F22 L27 D31 D33 L39 L103 L107	F22-L35 HydrophobicContact CD1-CD1 4.33Å; F22-L35 HydrophobicContact CE1-CD1 3.53Å; F22-L35 HydrophobicContact CZ-CD1 4.15Å; L27-L35 HydrophobicContact CD2-CD1 3.64Å; D31-L35 WeakPolarHBondContact O-CB 3.39Å; D31-L35 PolarHBondContact O-N 3.25Å; D31-L35 VanDerWaalsContact O-N 3.11Å; D33-L35 VanDerWaalsContact C-N 3.29Å; D33-L35 PolarHBondContact O-N 3.08Å; L35-L39 PolarHBondContact O-N 3.21Å; L35-L103 HydrophobicContact CD1-CD1 3.82Å; L35-L103 HydrophobicContact CD2-CD1 3.53Å; L35-L103 HydrophobicContact CG-CD1 4.22Å; L35-L107 HydrophobicContact CD2-CD2 3.45Å; L35-L107 VanDerWaalsContact CD2-CD2 3.45Å; L35-L107 HydrophobicContact CD2-CG 3.91Å; L35-L107 HydrophobicContact CG-CD2 3.86Å
36	V	86.8	Confident	83.2	Confident	8 Å²	8	61.1 Å²	61.1	5%	0.048	33%	0.334	C	S	.	.	H	α-helix	trans	-67.4	-44.9	177.7	171.3	0	0	0	0	111	D32 D33 N38 L39 L40 V46 L107 K110 M111	D32-V36 WeakPolarHBondContact O-CG2 3.47Å; D32-V36 PolarHBondContact O-N 2.95Å; D32-V36 VanDerWaalsContact O-N 3.16Å; D33-V36 PolarHBondContact O-N 3.4Å; V36-N38 VanDerWaalsContact C-N 3.32Å; V36-N38 PolarHBondContact O-N 3.47Å; V36-L39 WeakPolarHBondContact O-CB 3.34Å; V36-L39 PolarHBondContact O-N 3.11Å; V36-L39 VanDerWaalsContact O-N 3.13Å; V36-L40 HydrophobicContact CG1-CD1 3.89Å; V36-L40 HydrophobicContact CG1-CG 4.25Å; V36-L40 WeakPolarHBondContact O-CG 3.47Å; V36-L40 PolarHBondContact O-N 3.23Å; V36-V46 HydrophobicContact CG1-CG2 4.43Å; V36-L107 HydrophobicContact CG2-CD2 4.06Å; V36-K110 HydrophobicContact CG2-CB 4.17Å; V36-K110 HydrophobicContact CG2-CG 3.75Å; V36-M111 HydrophobicContact CG1-SD 3.7Å; V36-M111 HydrophobicContact CG2-SD 4.06Å
37	N	86.3	Confident	83.9	Confident	79 Å²	79	58.9 Å²	58.9	42%	0.422	32%	0.318	S	S	.	.	H	α-helix	trans	-60	-41.2	179	-71.8	-28.5	0	0	0	111.9	D33 T34 L39 L40 E41	D33-N37 WeakPolarHBondContact O-CB 3.49Å; D33-N37 PolarHBondContact O-N 2.92Å; D33-N37 PolarHBondContact O-ND2 2.98Å; D33-N37 VanDerWaalsContact O-ND2 3.12Å; T34-N37 PolarHBondContact O-N 3.48Å; N37-L39 VanDerWaalsContact C-N 3.31Å; N37-L39 PolarHBondContact O-N 3.34Å; N37-L40 PolarHBondContact O-N 3.18Å; N37-E41 WeakPolarHBondContact O-CB 3.39Å; N37-E41 VanDerWaalsContact O-CG 3.32Å; N37-E41 WeakPolarHBondContact O-CG 3.37Å; N37-E41 PolarHBondContact O-N 3.04Å
38	N	84.7	Confident	84.5	Confident	38 Å²	38	63.5 Å²	63.5	20%	0.203	34%	0.339	C	S	.	.	H	α-helix	trans	-59.9	-39.7	175.6	-84.7	-59.8	0	0	0	112.5	I25 L30 T34 V36 R42	I25-N38 HydrophobicContact CD1-CB 4.38Å; L30-N38 WeakPolarHBondContact CD2-ND2 3.25Å; T34-N38 VanDerWaalsContact O-CB 3.29Å; T34-N38 WeakPolarHBondContact O-CB 3.35Å; T34-N38 VanDerWaalsContact O-CG 3.31Å; T34-N38 PolarHBondContact O-N 3.41Å; T34-N38 PolarHBondContact O-ND2 3.45Å; V36-N38 VanDerWaalsContact C-N 3.32Å; V36-N38 PolarHBondContact O-N 3.47Å; N38-R42 WeakPolarHBondContact O-CB 3.39Å; N38-R42 VanDerWaalsContact O-CG 3.3Å; N38-R42 WeakPolarHBondContact O-CG 3.45Å; N38-R42 PolarHBondContact O-N 3Å
39	L	86.4	Confident	85.4	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-66.8	-43	175.5	-70.6	175.8	0	0	0	111.4	I21 F22 L35 V36 N37 R42 S43 V44 V46 V49 L107	I21-L39 HydrophobicContact CG2-CD2 3.73Å; F22-L39 HydrophobicContact CE1-CD2 4.39Å; F22-L39 HydrophobicContact CE2-CD2 4.34Å; F22-L39 HydrophobicContact CZ-CD1 4.26Å; F22-L39 HydrophobicContact CZ-CD2 3.73Å; F22-L39 HydrophobicContact CZ-CG 4.15Å; L35-L39 PolarHBondContact O-N 3.21Å; V36-L39 WeakPolarHBondContact O-CB 3.34Å; V36-L39 PolarHBondContact O-N 3.11Å; V36-L39 VanDerWaalsContact O-N 3.13Å; N37-L39 VanDerWaalsContact C-N 3.31Å; N37-L39 PolarHBondContact O-N 3.34Å; L39-R42 CarbonylContact O-C 3.59Å; L39-R42 PolarHBondContact O-N 3Å; L39-S43 PolarHBondContact O-N 3.3Å; L39-V44 HydrophobicContact CD2-CB 4.28Å; L39-V44 HydrophobicContact CD2-CG1 4.24Å; L39-V44 PolarHBondContact O-N 2.91Å; L39-V46 HydrophobicContact CB-CG2 4.08Å; L39-V46 HydrophobicContact CD1-CG1 4.23Å; L39-V46 HydrophobicContact CD1-CG2 4.06Å; L39-V49 HydrophobicContact CD2-CG2 4.27Å; L39-L107 HydrophobicContact CD1-CD1 4.08Å; L39-L107 HydrophobicContact CD1-CD2 3.79Å
40	L	84.7	Confident	86.3	Confident	100 Å²	100	52.7 Å²	52.7	52%	0.524	28%	0.282	S	S	.	.	H	α-helix	trans	-66	-42.7	178.7	-65.8	176.2	0	0	0	112.2	V36 N37 R42 S43 V46	V36-L40 HydrophobicContact CG1-CD1 3.89Å; V36-L40 HydrophobicContact CG1-CG 4.25Å; V36-L40 WeakPolarHBondContact O-CG 3.47Å; V36-L40 PolarHBondContact O-N 3.23Å; N37-L40 PolarHBondContact O-N 3.18Å; L40-R42 PolarHBondContact O-N 2.94Å; L40-S43 PolarHBondContact O-N 3.49Å; L40-V46 HydrophobicContact CD2-CG2 4.37Å
41	E	85.2	Confident	86.9	Confident	151 Å²	151	54.2 Å²	54.2	71%	0.706	29%	0.29	S	S	*	.	H	α-helix	trans	-59.9	-36	175.5	-76.7	178.7	-173.8	0	0	111.9	N37 S43	N37-E41 WeakPolarHBondContact O-CB 3.39Å; N37-E41 VanDerWaalsContact O-CG 3.32Å; N37-E41 WeakPolarHBondContact O-CG 3.37Å; N37-E41 PolarHBondContact O-N 3.04Å; E41-S43 PolarHBondContact O-N 3.05Å
42	R	83.8	Confident	87.1	Confident	103 Å²	103	54 Å²	54	39%	0.389	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	4.5	175.6	-66.9	178.4	-178.8	-149.7	6	113.6	I21 N38 L39 L40 V44	I21-R42 PolarHBondContact O-NH1 3.46Å; N38-R42 WeakPolarHBondContact O-CB 3.39Å; N38-R42 VanDerWaalsContact O-CG 3.3Å; N38-R42 WeakPolarHBondContact O-CG 3.45Å; N38-R42 PolarHBondContact O-N 3Å; L39-R42 CarbonylContact O-C 3.59Å; L39-R42 PolarHBondContact O-N 3Å; L40-R42 PolarHBondContact O-N 2.94Å; R42-V44 HydrophobicContact CB-CG2 4.02Å; R42-V44 PolarHBondContact O-N 3.42Å
43	S	82.5	Confident	87.3	Confident	114 Å²	114	52.1 Å²	52.1	80%	0.797	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	29.4	-177.1	-54.5	0	0	0	0	113.8	L39 L40 E41	L39-S43 PolarHBondContact O-N 3.3Å; L40-S43 PolarHBondContact O-N 3.49Å; E41-S43 PolarHBondContact O-N 3.05Å
44	V	85.4	Confident	87.6	Confident	36 Å²	36	48.6 Å²	48.6	22%	0.218	25%	0.254	C	S	.	.			trans	-93.6	130.4	177.7	-179.7	0	0	0	0	109.5	I21 L39 R42 V46 V49	I21-V44 HydrophobicContact CD1-CG1 4.04Å; I21-V44 HydrophobicContact CD1-CG2 3.94Å; I21-V44 HydrophobicContact CG1-CG2 4.47Å; L39-V44 HydrophobicContact CD2-CB 4.28Å; L39-V44 HydrophobicContact CD2-CG1 4.24Å; L39-V44 PolarHBondContact O-N 2.91Å; R42-V44 HydrophobicContact CB-CG2 4.02Å; R42-V44 PolarHBondContact O-N 3.42Å; V44-V46 PolarHBondContact O-N 3.36Å; V44-V49 HydrophobicContact CG1-CG2 3.52Å
45	S	87.9	Confident	87.7	Confident	50 Å²	50	48.2 Å²	48.2	35%	0.35	25%	0.254	S	S	.	.			trans	-69	118.1	175	176.7	0	0	0	0	110.7	L47 Q48 V49	S45-L47 VanDerWaalsContact C-N 3.26Å; S45-L47 PolarHBondContact O-N 2.91Å; S45-Q48 PolarHBondContact O-N 3.2Å; S45-Q48 PolarHBondContact OG-N 2.94Å; S45-V49 PolarHBondContact O-N 3.34Å; S45-V49 VanDerWaalsContact O-N 3.16Å
46	V	90.8	Very high	87.8	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.018	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-37.8	177.9	-173.7	0	0	0	0	111.4	V36 L39 L40 V44 Q48 V49 I50 L107 M111	V36-V46 HydrophobicContact CG1-CG2 4.43Å; L39-V46 HydrophobicContact CB-CG2 4.08Å; L39-V46 HydrophobicContact CD1-CG1 4.23Å; L39-V46 HydrophobicContact CD1-CG2 4.06Å; L40-V46 HydrophobicContact CD2-CG2 4.37Å; V44-V46 PolarHBondContact O-N 3.36Å; V46-Q48 PolarHBondContact O-N 3.29Å; V46-V49 PolarHBondContact O-N 3.04Å; V46-I50 HydrophobicContact CG1-CD1 4.07Å; V46-I50 WeakPolarHBondContact O-CG1 3.3Å; V46-I50 PolarHBondContact O-N 3.34Å; V46-L107 HydrophobicContact CG1-CB 4.26Å; V46-L107 HydrophobicContact CG1-CD1 4.48Å; V46-L107 HydrophobicContact CG1-CD2 4.04Å; V46-M111 HydrophobicContact CB-CE 4.26Å; V46-M111 HydrophobicContact CB-CG 4.25Å; V46-M111 HydrophobicContact CB-SD 4.32Å; V46-M111 HydrophobicContact CG1-CG 3.55Å; V46-M111 HydrophobicContact CG1-SD 4.1Å; V46-M111 HydrophobicContact CG2-CE 4.38Å; V46-M111 HydrophobicContact CG2-SD 4.27Å
47	L	90.6	Very high	88	Confident	29 Å²	29	48.2 Å²	48.2	15%	0.152	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-41.2	177.2	-175.5	61.8	0	0	0	111.8	S45 V49 I50 D51 L118 L121 Y122 N125	S45-L47 VanDerWaalsContact C-N 3.26Å; S45-L47 PolarHBondContact O-N 2.91Å; L47-V49 PolarHBondContact O-N 3.42Å; L47-I50 WeakPolarHBondContact O-CB 3.39Å; L47-I50 PolarHBondContact O-N 2.95Å; L47-D51 VanDerWaalsContact O-CG 3.27Å; L47-D51 PolarHBondContact O-N 3.33Å; L47-L118 HydrophobicContact CD2-CD1 4.39Å; L47-L121 HydrophobicContact CD2-CD1 4.36Å; L47-Y122 HydrophobicContact CB-CE1 4.05Å; L47-Y122 HydrophobicContact CD1-CD1 4.29Å; L47-Y122 HydrophobicContact CD1-CE1 3.98Å; L47-N125 WeakPolarHBondContact CD1-ND2 3.48Å
48	Q	89.2	Confident	88.2	Confident	104 Å²	104	44.6 Å²	44.6	49%	0.486	23%	0.233	S	C	.	.	H	α-helix	trans	-64.3	-41.3	176.2	-72.4	178.6	-30.2	0	0	111.6	S45 V46 I50 D51 Y52	S45-Q48 PolarHBondContact O-N 3.2Å; S45-Q48 PolarHBondContact OG-N 2.94Å; V46-Q48 PolarHBondContact O-N 3.29Å; Q48-I50 VanDerWaalsContact C-N 3.33Å; Q48-I50 PolarHBondContact O-N 2.89Å; Q48-D51 PolarHBondContact O-N 3.22Å; Q48-Y52 HydrophobicContact CB-CD2 4.38Å; Q48-Y52 HydrophobicContact CB-CE2 4.04Å; Q48-Y52 WeakPolarHBondContact O-CB 3.41Å; Q48-Y52 WeakPolarHBondContact O-CD2 3.35Å; Q48-Y52 VanDerWaalsContact O-CG 3.29Å; Q48-Y52 PolarHBondContact O-N 3.49Å
49	V	90.5	Very high	88.4	Confident	4 Å²	4	43 Å²	43	2%	0.024	23%	0.226	C	C	.	.	H	α-helix	trans	-60.7	-43.8	175.4	175.1	0	0	0	0	110.9	I18 L39 V44 S45 V46 L47 A53 L107	I18-V49 HydrophobicContact CD1-CG1 4.27Å; I18-V49 HydrophobicContact CG1-CG1 4.31Å; L39-V49 HydrophobicContact CD2-CG2 4.27Å; V44-V49 HydrophobicContact CG1-CG2 3.52Å; S45-V49 PolarHBondContact O-N 3.34Å; S45-V49 VanDerWaalsContact O-N 3.16Å; V46-V49 PolarHBondContact O-N 3.04Å; L47-V49 PolarHBondContact O-N 3.42Å; V49-A53 WeakPolarHBondContact O-CB 3.11Å; V49-A53 PolarHBondContact O-N 3.24Å; V49-L107 HydrophobicContact CG1-CD1 3.79Å
50	I	92.6	Very high	88.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59	-51.3	175.2	-72.9	164.9	0	0	0	110.5	V46 L47 Q48 Y52 A53 M54 L107 C108 Y122 N125	V46-I50 HydrophobicContact CG1-CD1 4.07Å; V46-I50 WeakPolarHBondContact O-CG1 3.3Å; V46-I50 PolarHBondContact O-N 3.34Å; L47-I50 WeakPolarHBondContact O-CB 3.39Å; L47-I50 PolarHBondContact O-N 2.95Å; Q48-I50 VanDerWaalsContact C-N 3.33Å; Q48-I50 PolarHBondContact O-N 2.89Å; I50-Y52 VanDerWaalsContact C-N 3.35Å; I50-Y52 PolarHBondContact O-N 3.43Å; I50-A53 PolarHBondContact O-N 3Å; I50-M54 VanDerWaalsContact O-CB 3.25Å; I50-M54 WeakPolarHBondContact O-CB 3.4Å; I50-M54 PolarHBondContact O-N 3.37Å; I50-L107 HydrophobicContact CD1-CB 4Å; I50-L107 HydrophobicContact CG1-CB 3.83Å; I50-L107 HydrophobicContact CG1-CD1 4.42Å; I50-C108 WeakPolarHBondContact CG2-SG 3.47Å; I50-Y122 HydrophobicContact CD1-CD1 3.95Å; I50-Y122 HydrophobicContact CD1-CE1 3.9Å; I50-N125 HydrophobicContact CG2-CB 3.91Å
51	D	89.8	Confident	88.7	Confident	63 Å²	63	38.7 Å²	38.7	34%	0.337	20%	0.203	S	C	.	.	H	α-helix	trans	-62.6	-41.2	-176.8	-69.4	-20.4	0	0	0	111.6	L47 Q48 S55 N125	L47-D51 VanDerWaalsContact O-CG 3.27Å; L47-D51 PolarHBondContact O-N 3.33Å; Q48-D51 PolarHBondContact O-N 3.22Å; D51-S55 WeakPolarHBondContact O-CB 3.35Å; D51-S55 PolarHBondContact O-N 3.27Å; D51-S55 PolarHBondContact O-OG 3Å; D51-N125 PolarHBondContact OD1-ND2 3.06Å
52	Y	88.5	Confident	89	Confident	80 Å²	80	31.5 Å²	31.5	31%	0.314	17%	0.17	S	C	.	.	H	α-helix	trans	-68.3	-45.5	176.4	-67.5	-43.1	0	0	0	112.7	C14 Q48 I50 M54 S55 Y56	C14-Y52 HydrophobicContact CB-CD1 3.8Å; C14-Y52 HydrophobicContact CB-CD2 3.82Å; C14-Y52 HydrophobicContact CB-CE1 4.13Å; C14-Y52 HydrophobicContact CB-CE2 4.16Å; C14-Y52 HydrophobicContact CB-CG 3.65Å; C14-Y52 WeakPolarHBondContact SG-CE1 3.49Å; Q48-Y52 HydrophobicContact CB-CD2 4.38Å; Q48-Y52 HydrophobicContact CB-CE2 4.04Å; Q48-Y52 WeakPolarHBondContact O-CB 3.41Å; Q48-Y52 WeakPolarHBondContact O-CD2 3.35Å; Q48-Y52 VanDerWaalsContact O-CG 3.29Å; Q48-Y52 PolarHBondContact O-N 3.49Å; I50-Y52 VanDerWaalsContact C-N 3.35Å; I50-Y52 PolarHBondContact O-N 3.43Å; Y52-M54 VanDerWaalsContact C-N 3.35Å; Y52-M54 PolarHBondContact O-N 3.12Å; Y52-S55 PolarHBondContact O-N 2.91Å; Y52-Y56 WeakPolarHBondContact O-CB 3.44Å; Y52-Y56 PolarHBondContact O-N 3.2Å
53	A	90.7	Very high	89.1	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-61	-45.4	178.2	0	0	0	0	0	111.4	I18 V49 I50 F57 L100 C104	I18-A53 HydrophobicContact CD1-CB 4.49Å; V49-A53 WeakPolarHBondContact O-CB 3.11Å; V49-A53 PolarHBondContact O-N 3.24Å; I50-A53 PolarHBondContact O-N 3Å; A53-F57 WeakPolarHBondContact O-CB 3.42Å; A53-F57 PolarHBondContact O-N 3.42Å; A53-L100 HydrophobicContact CB-CD1 3.75Å; A53-L100 HydrophobicContact CB-CD2 4.35Å; A53-L100 HydrophobicContact CB-CG 3.86Å; A53-C104 HydrophobicContact CB-CB 3.87Å
54	M	91.6	Very high	88.9	Confident	5 Å²	5	21.8 Å²	21.8	3%	0.025	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-49.7	176.6	-171.6	80.7	72.8	0	0	111.5	I50 Y52 Y56 F57 V58 K128 C129 L132 F376	I50-M54 VanDerWaalsContact O-CB 3.25Å; I50-M54 WeakPolarHBondContact O-CB 3.4Å; I50-M54 PolarHBondContact O-N 3.37Å; Y52-M54 VanDerWaalsContact C-N 3.35Å; Y52-M54 PolarHBondContact O-N 3.12Å; M54-Y56 VanDerWaalsContact C-N 3.31Å; M54-Y56 PolarHBondContact O-N 2.81Å; M54-F57 PolarHBondContact O-N 3.32Å; M54-V58 WeakPolarHBondContact O-CG2 3.24Å; M54-V58 PolarHBondContact O-N 3.06Å; M54-K128 HydrophobicContact CE-CB 3.84Å; M54-K128 HydrophobicContact SD-CB 4.41Å; M54-C129 WeakPolarHBondContact CE-SG 3.22Å; M54-L132 HydrophobicContact SD-CD1 3.46Å; M54-L132 WeakPolarHBondContact SD-CD1 3.36Å; M54-F376 HydrophobicContact CG-CE2 3.98Å; M54-F376 HydrophobicContact CG-CZ 3.79Å; M54-F376 HydrophobicContact SD-CZ 3.8Å
55	S	88.3	Confident	87.9	Confident	42 Å²	42	21 Å²	21	29%	0.294	12%	0.116	S	C	.	.	H	α-helix	trans	-62	-40.5	-178	-61.5	0	0	0	0	111.7	H11 D51 Y52 A59	H11-S55 VanDerWaalsContact CE1-CB 3.49Å; H11-S55 WeakPolarHBondContact CE1-CB 3.13Å; D51-S55 WeakPolarHBondContact O-CB 3.35Å; D51-S55 PolarHBondContact O-N 3.27Å; D51-S55 PolarHBondContact O-OG 3Å; Y52-S55 PolarHBondContact O-N 2.91Å; S55-A59 VanDerWaalsContact O-CB 3.26Å; S55-A59 WeakPolarHBondContact O-CB 3.34Å; S55-A59 PolarHBondContact O-N 2.99Å
56	Y	87.8	Confident	86.6	Confident	10 Å²	10	21.3 Å²	21.3	4%	0.039	12%	0.118	C	C	.	.	H	α-helix	trans	-67.8	-44	175.9	-178.5	-95.9	0	0	0	112	H11 V15 Y52 M54 V58 A59 V60 E69 S97 L100	H11-Y56 HydrophobicContact CB-CD2 4.38Å; V15-Y56 HydrophobicContact CG2-CD1 4.03Å; V15-Y56 HydrophobicContact CG2-CD2 3.56Å; V15-Y56 HydrophobicContact CG2-CE1 4.44Å; V15-Y56 HydrophobicContact CG2-CE2 4.05Å; V15-Y56 HydrophobicContact CG2-CG 3.53Å; Y52-Y56 WeakPolarHBondContact O-CB 3.44Å; Y52-Y56 PolarHBondContact O-N 3.2Å; M54-Y56 VanDerWaalsContact C-N 3.31Å; M54-Y56 PolarHBondContact O-N 2.81Å; Y56-V58 VanDerWaalsContact C-N 3.31Å; Y56-V58 PolarHBondContact O-N 3.19Å; Y56-A59 WeakPolarHBondContact O-CB 3.47Å; Y56-A59 PolarHBondContact O-N 3.15Å; Y56-A59 VanDerWaalsContact O-N 3.14Å; Y56-V60 HydrophobicContact CD1-CG2 4.1Å; Y56-V60 HydrophobicContact CD2-CG2 4.2Å; Y56-V60 HydrophobicContact CE1-CG2 3.77Å; Y56-V60 HydrophobicContact CE2-CG2 3.86Å; Y56-V60 HydrophobicContact CG-CG2 4.33Å; Y56-V60 WeakPolarHBondContact O-CG2 3.41Å; Y56-V60 PolarHBondContact O-N 3.45Å; Y56-E69 PolarHBondContact OH-O 2.93Å; Y56-E69 VanDerWaalsContact OH-O 3.05Å; Y56-S97 WeakPolarHBondContact CE1-OG 3.16Å; Y56-L100 HydrophobicContact CD1-CD2 3.49Å; Y56-L100 VanDerWaalsContact CD1-CD2 3.49Å; Y56-L100 HydrophobicContact CE1-CD2 4.19Å; Y56-L100 HydrophobicContact CG-CD2 4.26Å
57	F	91	Very high	85.3	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58	-44.7	175.7	178.5	-97.1	0	0	0	111.9	A53 M54 N61 F62 T95 F101 L132 L136	A53-F57 WeakPolarHBondContact O-CB 3.42Å; A53-F57 PolarHBondContact O-N 3.42Å; M54-F57 PolarHBondContact O-N 3.32Å; F57-N61 WeakPolarHBondContact CE2-ND2 3.45Å; F57-N61 WeakPolarHBondContact O-CB 3.5Å; F57-N61 PolarHBondContact O-N 3.23Å; F57-N61 PolarHBondContact O-ND2 3.15Å; F57-F62 HydrophobicContact CE1-CE2 4.05Å; F57-T95 HydrophobicContact CE2-CG2 3.48Å; F57-T95 VanDerWaalsContact CE2-CG2 3.48Å; F57-T95 HydrophobicContact CZ-CG2 3.69Å; F57-F101 HydrophobicContact CD1-CD2 4.03Å; F57-F101 HydrophobicContact CD1-CG 4.48Å; F57-F101 HydrophobicContact CD2-CB 3.59Å; F57-F101 HydrophobicContact CD2-CG 4.26Å; F57-F101 HydrophobicContact CE1-CD2 4.14Å; F57-F101 HydrophobicContact CE1-CG 4.38Å; F57-F101 HydrophobicContact CE2-CB 3.74Å; F57-F101 HydrophobicContact CE2-CG 4.14Å; F57-F101 HydrophobicContact CG-CB 4.02Å; F57-F101 HydrophobicContact CG-CD2 4.23Å; F57-F101 HydrophobicContact CG-CG 4.41Å; F57-F101 HydrophobicContact CZ-CB 4.31Å; F57-F101 HydrophobicContact CZ-CD2 4.43Å; F57-F101 HydrophobicContact CZ-CG 4.21Å; F57-L132 HydrophobicContact CD1-CD1 3.88Å; F57-L132 HydrophobicContact CE1-CB 4.45Å; F57-L132 HydrophobicContact CE1-CD1 4.02Å; F57-L132 HydrophobicContact CE1-CD2 4.26Å; F57-L132 HydrophobicContact CE1-CG 4.49Å; F57-L136 HydrophobicContact CZ-CD1 3.97Å; F57-L136 HydrophobicContact CZ-CD2 4.26Å; F57-L136 HydrophobicContact CZ-CG 4.48Å
58	V	91.2	Very high	83.7	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-43.6	174.8	170.7	0	0	0	0	110.9	M54 Y56 V60 F62 I63 L132 F375 F376	M54-V58 WeakPolarHBondContact O-CG2 3.24Å; M54-V58 PolarHBondContact O-N 3.06Å; Y56-V58 VanDerWaalsContact C-N 3.31Å; Y56-V58 PolarHBondContact O-N 3.19Å; V58-V60 PolarHBondContact O-N 2.95Å; V58-F62 HydrophobicContact CG1-CB 4.4Å; V58-F62 WeakPolarHBondContact O-CA 3.48Å; V58-F62 VanDerWaalsContact O-CB 3.32Å; V58-F62 WeakPolarHBondContact O-CB 3.47Å; V58-F62 PolarHBondContact O-N 3.14Å; V58-I63 HydrophobicContact CG1-CD1 3.75Å; V58-I63 HydrophobicContact CG1-CG1 4.16Å; V58-I63 PolarHBondContact O-N 3.41Å; V58-L132 HydrophobicContact CG2-CD1 4.24Å; V58-F375 HydrophobicContact CB-CD1 4.35Å; V58-F375 HydrophobicContact CG1-CB 3.87Å; V58-F375 HydrophobicContact CG1-CD1 3.57Å; V58-F375 HydrophobicContact CG1-CD2 3.77Å; V58-F375 HydrophobicContact CG1-CE1 4.03Å; V58-F375 HydrophobicContact CG1-CE2 4.21Å; V58-F375 HydrophobicContact CG1-CG 3.42Å; V58-F375 VanDerWaalsContact CG1-CG 3.42Å; V58-F375 HydrophobicContact CG1-CZ 4.32Å; V58-F375 HydrophobicContact CG2-CD1 3.74Å; V58-F375 HydrophobicContact CG2-CE1 3.71Å; V58-F375 HydrophobicContact CG2-CG 4.46Å; V58-F375 HydrophobicContact CG2-CZ 4.4Å; V58-F376 HydrophobicContact CG2-CE2 4.32Å; V58-F376 HydrophobicContact CG2-CZ 4.05Å
59	A	87.3	Confident	82.6	Confident	5 Å²	5	30.1 Å²	30.1	4%	0.041	16%	0.164	C	C	.	.	I	π-helix	trans	-55.4	-55.9	179.3	0	0	0	0	0	111.4	S55 Y56 N61 I63 D64 F367	S55-A59 VanDerWaalsContact O-CB 3.26Å; S55-A59 WeakPolarHBondContact O-CB 3.34Å; S55-A59 PolarHBondContact O-N 2.99Å; Y56-A59 WeakPolarHBondContact O-CB 3.47Å; Y56-A59 PolarHBondContact O-N 3.15Å; Y56-A59 VanDerWaalsContact O-N 3.14Å; A59-N61 VanDerWaalsContact C-N 3.34Å; A59-N61 PolarHBondContact O-N 3.34Å; A59-I63 PolarHBondContact O-N 3.16Å; A59-I63 VanDerWaalsContact O-N 3.14Å; A59-D64 PolarHBondContact O-N 3.01Å; A59-F367 HydrophobicContact CB-CD2 4.07Å; A59-F367 HydrophobicContact CB-CE2 3.26Å; A59-F367 HydrophobicContact CB-CZ 3.7Å
60	V	87.5	Confident	81.8	Confident	6 Å²	6	33 Å²	33	4%	0.036	18%	0.184	C	C	.	.	I	π-helix	trans	-69.9	-29.5	-171.3	178.9	0	0	0	0	113.1	Y56 V58 V67 K96	Y56-V60 HydrophobicContact CD1-CG2 4.1Å; Y56-V60 HydrophobicContact CD2-CG2 4.2Å; Y56-V60 HydrophobicContact CE1-CG2 3.77Å; Y56-V60 HydrophobicContact CE2-CG2 3.86Å; Y56-V60 HydrophobicContact CG-CG2 4.33Å; Y56-V60 WeakPolarHBondContact O-CG2 3.41Å; Y56-V60 PolarHBondContact O-N 3.45Å; V58-V60 PolarHBondContact O-N 2.95Å; V60-V67 HydrophobicContact CG1-CB 4.48Å; V60-V67 HydrophobicContact CG2-CB 4.01Å; V60-V67 HydrophobicContact CG2-CG1 3.86Å; V60-V67 HydrophobicContact CG2-CG2 4.33Å; V60-K96 HydrophobicContact CG1-CB 3.48Å; V60-K96 VanDerWaalsContact CG1-CB 3.48Å; V60-K96 HydrophobicContact CG1-CD 3.32Å; V60-K96 HydrophobicContact CG1-CG 4.04Å
61	N	89.9	Confident	81	Confident	3 Å²	3	34.1 Å²	34.1	2%	0.016	19%	0.189	C	C	.	.	I	π-helix	trans	-100.6	-26	-174.7	-71.3	-74.1	0	0	0	114.2	F57 A59 K96 S382 W384	F57-N61 WeakPolarHBondContact CE2-ND2 3.45Å; F57-N61 WeakPolarHBondContact O-CB 3.5Å; F57-N61 PolarHBondContact O-N 3.23Å; F57-N61 PolarHBondContact O-ND2 3.15Å; A59-N61 VanDerWaalsContact C-N 3.34Å; A59-N61 PolarHBondContact O-N 3.34Å; N61-K96 PolarHBondContact ND2-O 3.2Å; N61-K96 PolarHBondContact OD1-N 3.04Å; N61-S382 WeakPolarHBondContact O-CB 3.44Å; N61-W384 HydrophobicContact CB-CH2 3.67Å; N61-W384 HydrophobicContact CB-CZ3 3.77Å; N61-W384 WeakPolarHBondContact OD1-CH2 3.39Å; N61-W384 VanDerWaalsContact OD1-CZ3 3.31Å; N61-W384 WeakPolarHBondContact OD1-CZ3 3.43Å
62	F	91.1	Very high	80.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.184	C	C	.	.	I	π-helix	trans	-124.4	-28.4	-169.7	-59.7	-96.9	0	0	0	114.5	F57 V58 L132 Y135 F360 F375 M380	F57-F62 HydrophobicContact CE1-CE2 4.05Å; V58-F62 HydrophobicContact CG1-CB 4.4Å; V58-F62 WeakPolarHBondContact O-CA 3.48Å; V58-F62 VanDerWaalsContact O-CB 3.32Å; V58-F62 WeakPolarHBondContact O-CB 3.47Å; V58-F62 PolarHBondContact O-N 3.14Å; F62-L132 HydrophobicContact CE2-CD2 3.88Å; F62-L132 HydrophobicContact CZ-CD2 3.78Å; F62-Y135 AromaticContact CE1-CD1 3.95Å; F62-Y135 HydrophobicContact CE1-CD1 3.95Å; F62-Y135 AromaticContact CE1-CE1 3.53Å; F62-Y135 HydrophobicContact CE1-CE1 3.53Å; F62-Y135 HydrophobicContact CE1-CE2 4.49Å; F62-Y135 AromaticContact CE1-CZ 3.85Å; F62-Y135 AromaticContact CZ-CD1 3.86Å; F62-Y135 HydrophobicContact CZ-CD1 3.86Å; F62-Y135 AromaticContact CZ-CE1 3.85Å; F62-Y135 HydrophobicContact CZ-CE1 3.85Å; F62-F360 WeakPolarHBondContact O-CE1 3.35Å; F62-F360 WeakPolarHBondContact O-CZ 3.35Å; F62-F375 HydrophobicContact CB-CD2 4.16Å; F62-F375 HydrophobicContact CB-CE2 3.69Å; F62-F375 HydrophobicContact CB-CZ 4.42Å; F62-F375 AromaticContact CD1-CE2 3.44Å; F62-F375 HydrophobicContact CD1-CE2 3.44Å; F62-F375 VanDerWaalsContact CD1-CE2 3.44Å; F62-F375 AromaticContact CD1-CZ 3.71Å; F62-F375 HydrophobicContact CD1-CZ 3.71Å; F62-F375 HydrophobicContact CD2-CE2 4.19Å; F62-F375 HydrophobicContact CD2-CZ 4.08Å; F62-F375 HydrophobicContact CE1-CE2 4.05Å; F62-F375 AromaticContact CE1-CZ 3.86Å; F62-F375 HydrophobicContact CE1-CZ 3.86Å; F62-F375 HydrophobicContact CE2-CZ 4.23Å; F62-F375 HydrophobicContact CG-CD2 4.43Å; F62-F375 AromaticContact CG-CE2 3.51Å; F62-F375 HydrophobicContact CG-CE2 3.51Å; F62-F375 AromaticContact CG-CZ 3.82Å; F62-F375 HydrophobicContact CG-CZ 3.82Å; F62-F375 HydrophobicContact CZ-CZ 4.12Å; F62-M380 WeakPolarHBondContact CD1-O 3.04Å; F62-M380 WeakPolarHBondContact O-CE 3.11Å
63	I	86.3	Confident	80.3	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.172	C	C	.	.	I	π-helix	trans	-113.5	-47	-169.2	-60.3	179.3	0	0	0	112.4	V58 A59 F367 R370 P372 F375	V58-I63 HydrophobicContact CG1-CD1 3.75Å; V58-I63 HydrophobicContact CG1-CG1 4.16Å; V58-I63 PolarHBondContact O-N 3.41Å; A59-I63 PolarHBondContact O-N 3.16Å; A59-I63 VanDerWaalsContact O-N 3.14Å; I63-F367 HydrophobicContact CB-CE2 4.26Å; I63-F367 HydrophobicContact CD1-CE2 4.44Å; I63-F367 HydrophobicContact CG2-CD2 3.89Å; I63-F367 HydrophobicContact CG2-CE2 3.97Å; I63-R370 HydrophobicContact CG2-CB 3.64Å; I63-R370 HydrophobicContact CG2-CG 4.26Å; I63-R370 PolarHBondContact O-NH1 3.3Å; I63-P372 HydrophobicContact CD1-CB 3.5Å; I63-F375 HydrophobicContact CD1-CB 4.48Å
64	D	78.5	Confident	79.7	Confident	12 Å²	12	38.2 Å²	38.2	6%	0.064	21%	0.214	C	C	.	.			trans	-123.1	115.4	-172	-171.5	3.7	0	0	0	110.7	A59 S66 V67 F367	A59-D64 PolarHBondContact O-N 3.01Å; D64-S66 VanDerWaalsContact CG-OG 3.24Å; D64-S66 WeakPolarHBondContact OD1-CB 3.46Å; D64-S66 PolarHBondContact OD1-N 3.38Å; D64-S66 PolarHBondContact OD1-OG 3.22Å; D64-S66 PolarHBondContact OD2-OG 3.16Å; D64-V67 HydrophobicContact CB-CG2 4.48Å; D64-F367 HydrophobicContact CB-CD2 4.08Å
65	G	64.2	Low	79.1	Confident	21 Å²	21	41.3 Å²	41.3	22%	0.216	25%	0.247	C	C	.	.	S	Bend	trans	-87.6	-7.7	176	0	0	0	0	0	113.7	V67 F360	G65-V67 VanDerWaalsContact C-N 3.3Å; G65-V67 PolarHBondContact O-N 3.16Å; G65-F360 CarbonylContact C-O 3.53Å; G65-F360 VanDerWaalsContact CA-O 3.23Å; G65-F360 WeakPolarHBondContact CA-O 3.46Å; G65-F360 PolarHBondContact N-O 3.02Å
66	S	61.7	Low	79	Confident	55 Å²	55	39.5 Å²	39.5	39%	0.385	23%	0.234	S	C	.	.			trans	-78.8	-12.9	-177.4	70.1	0	0	0	0	113.8	D64 D68	D64-S66 VanDerWaalsContact CG-OG 3.24Å; D64-S66 WeakPolarHBondContact OD1-CB 3.46Å; D64-S66 PolarHBondContact OD1-N 3.38Å; D64-S66 PolarHBondContact OD1-OG 3.22Å; D64-S66 PolarHBondContact OD2-OG 3.16Å; S66-D68 PolarHBondContact O-N 3.01Å
67	V	62.5	Low	78.9	Confident	21 Å²	21	42.2 Å²	42.2	13%	0.127	25%	0.246	C	C	.	.			trans	-76.6	90.3	173.2	-167.6	0	0	0	0	108.8	V60 D64 G65 E69 K96	V60-V67 HydrophobicContact CG1-CB 4.48Å; V60-V67 HydrophobicContact CG2-CB 4.01Å; V60-V67 HydrophobicContact CG2-CG1 3.86Å; V60-V67 HydrophobicContact CG2-CG2 4.33Å; D64-V67 HydrophobicContact CB-CG2 4.48Å; G65-V67 VanDerWaalsContact C-N 3.3Å; G65-V67 PolarHBondContact O-N 3.16Å; V67-E69 VanDerWaalsContact C-N 3.26Å; V67-E69 WeakPolarHBondContact CG1-O 3.39Å; V67-K96 PolarHBondContact O-NZ 2.94Å
68	D	57.4	Low	78.8	Confident	143 Å²	143	47 Å²	47	77%	0.765	27%	0.268	S	S	*	.			trans	-69.4	-26.7	172.8	-81.7	-25	0	0	0	111.8	S66 S70	S66-D68 PolarHBondContact O-N 3.01Å; D68-S70 PolarHBondContact O-N 3.44Å
69	E	66	Low	78.6	Confident	158 Å²	158	49.7 Å²	49.7	74%	0.738	28%	0.282	S	S	*	.			trans	-78.6	108.5	178.9	-65.1	-172.9	175.8	0	0	111.5	Y56 V67	Y56-E69 PolarHBondContact OH-O 2.93Å; Y56-E69 VanDerWaalsContact OH-O 3.05Å; V67-E69 VanDerWaalsContact C-N 3.26Å; V67-E69 WeakPolarHBondContact CG1-O 3.39Å
70	S	73.8	Confident	78.9	Confident	63 Å²	63	49.4 Å²	49.4	44%	0.441	28%	0.28	S	S	.	.			trans	-78.1	120.4	162.2	58.4	0	0	0	0	109.2	D68 E72	D68-S70 PolarHBondContact O-N 3.44Å; S70-E72 PolarHBondContact O-N 3.35Å
71	Y	76.7	Confident	79	Confident	25 Å²	25	49.7 Å²	49.7	10%	0.098	28%	0.281	C	S	.	.			trans	-80.7	105.2	173	178.7	-100.9	0	0	0	109.9	V15 K19 F73 S97 L100	V15-Y71 HydrophobicContact CG1-CD1 3.88Å; V15-Y71 HydrophobicContact CG1-CD2 3.73Å; V15-Y71 HydrophobicContact CG1-CE1 4.29Å; V15-Y71 HydrophobicContact CG1-CE2 4.15Å; V15-Y71 HydrophobicContact CG1-CG 3.57Å; K19-Y71 VanDerWaalsContact CA-OH 3.32Å; K19-Y71 WeakPolarHBondContact CA-OH 3.36Å; K19-Y71 HydrophobicContact CB-CE2 3.8Å; K19-Y71 WeakPolarHBondContact CB-OH 3.38Å; K19-Y71 HydrophobicContact CD-CE2 3.91Å; K19-Y71 HydrophobicContact CG-CE2 3.84Å; Y71-F73 HydrophobicContact CE1-CD1 4.2Å; Y71-F73 HydrophobicContact CE1-CD2 4.16Å; Y71-F73 AromaticContact CE1-CE1 3.79Å; Y71-F73 HydrophobicContact CE1-CE1 3.79Å; Y71-F73 AromaticContact CE1-CE2 3.74Å; Y71-F73 HydrophobicContact CE1-CE2 3.74Å; Y71-F73 HydrophobicContact CE1-CG 4.38Å; Y71-F73 AromaticContact CE1-CZ 3.54Å; Y71-F73 HydrophobicContact CE1-CZ 3.54Å; Y71-F73 AromaticContact CZ-CE1 3.69Å; Y71-F73 AromaticContact CZ-CZ 3.94Å; Y71-F73 VanDerWaalsContact OH-CD1 3.3Å; Y71-F73 WeakPolarHBondContact OH-CD1 3.36Å; Y71-F73 WeakPolarHBondContact OH-CE1 3.39Å; Y71-F73 WeakPolarHBondContact OH-CZ 3.46Å; Y71-S97 PolarHBondContact N-OG 3.03Å; Y71-S97 VanDerWaalsContact N-OG 3.08Å; Y71-S97 VanDerWaalsContact O-CA 3.27Å; Y71-S97 WeakPolarHBondContact O-CA 3.31Å; Y71-S97 WeakPolarHBondContact O-CB 3.42Å; Y71-L100 HydrophobicContact CD1-CB 4.06Å; Y71-L100 HydrophobicContact CD1-CD1 4.2Å; Y71-L100 HydrophobicContact CD1-CD2 4.09Å; Y71-L100 HydrophobicContact CD1-CG 4.34Å; Y71-L100 HydrophobicContact CE1-CB 4.49Å; Y71-L100 HydrophobicContact CE1-CD1 4.07Å
72	E	82	Confident	79	Confident	50 Å²	50	54.3 Å²	54.3	23%	0.234	30%	0.303	C	S	.	.			trans	-116.9	139.3	173.3	-62.3	-65.1	167.4	0	0	110.4	S70 S97 L98 S99	S70-E72 PolarHBondContact O-N 3.35Å; E72-S97 WeakPolarHBondContact OE1-CA 3.42Å; E72-S97 PolarHBondContact OE1-N 3.45Å; E72-L98 PolarHBondContact OE1-N 3.27Å; E72-L98 PolarHBondContact OE2-N 3.4Å; E72-S99 WeakPolarHBondContact CA-OG 3.47Å; E72-S99 WeakPolarHBondContact OE2-CB 3.45Å; E72-S99 PolarHBondContact OE2-N 3.16Å; E72-S99 PolarHBondContact OE2-OG 3.04Å
73	F	80.3	Confident	79	Confident	15 Å²	15	58 Å²	58	7%	0.066	32%	0.323	C	S	.	.			trans	-77.2	133.7	168.4	-64.4	-78.7	0	0	0	109.8	I18 F22 L27 Y71 G75 C76 S99 L100 L103	I18-F73 HydrophobicContact CG2-CZ 4.02Å; F22-F73 HydrophobicContact CB-CD1 4.5Å; F22-F73 HydrophobicContact CB-CE1 3.77Å; F22-F73 HydrophobicContact CD2-CE1 4.23Å; F22-F73 HydrophobicContact CD2-CZ 4.18Å; F22-F73 HydrophobicContact CG-CE1 4.31Å; L27-F73 HydrophobicContact CD1-CB 4.04Å; L27-F73 HydrophobicContact CD1-CD1 3.31Å; L27-F73 HydrophobicContact CD1-CD2 3.93Å; L27-F73 HydrophobicContact CD1-CE1 3.53Å; L27-F73 HydrophobicContact CD1-CE2 4.14Å; L27-F73 HydrophobicContact CD1-CG 3.51Å; L27-F73 HydrophobicContact CD1-CZ 3.95Å; Y71-F73 HydrophobicContact CE1-CD1 4.2Å; Y71-F73 HydrophobicContact CE1-CD2 4.16Å; Y71-F73 AromaticContact CE1-CE1 3.79Å; Y71-F73 HydrophobicContact CE1-CE1 3.79Å; Y71-F73 AromaticContact CE1-CE2 3.74Å; Y71-F73 HydrophobicContact CE1-CE2 3.74Å; Y71-F73 HydrophobicContact CE1-CG 4.38Å; Y71-F73 AromaticContact CE1-CZ 3.54Å; Y71-F73 HydrophobicContact CE1-CZ 3.54Å; Y71-F73 AromaticContact CZ-CE1 3.69Å; Y71-F73 AromaticContact CZ-CZ 3.94Å; Y71-F73 VanDerWaalsContact OH-CD1 3.3Å; Y71-F73 WeakPolarHBondContact OH-CD1 3.36Å; Y71-F73 WeakPolarHBondContact OH-CE1 3.39Å; Y71-F73 WeakPolarHBondContact OH-CZ 3.46Å; F73-G75 PolarHBondContact O-N 3.37Å; F73-C76 HydrophobicContact CB-CB 3.75Å; F73-C76 WeakPolarHBondContact O-CB 3.49Å; F73-C76 PolarHBondContact O-N 3.47Å; F73-S99 PolarHBondContact N-OG 3.39Å; F73-L100 HydrophobicContact CE2-CB 4.45Å; F73-L100 HydrophobicContact CE2-CD1 4.12Å; F73-L100 HydrophobicContact CZ-CD1 4.32Å; F73-L103 HydrophobicContact CE2-CB 4.26Å; F73-L103 HydrophobicContact CE2-CD2 3.64Å; F73-L103 HydrophobicContact CZ-CD2 3.53Å
74	D	77.7	Confident	79.4	Confident	165 Å²	165	58 Å²	58	88%	0.882	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	129.1	-178.2	-69.2	-29.8	0	0	0	111.3	C76	D74-C76 PolarHBondContact O-N 3.22Å; D74-C76 PolarHBondContact O-SG 3.47Å
75	G	79.7	Confident	80	Confident	69 Å²	69	58.5 Å²	58.5	71%	0.711	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	-5.6	179.5	0	0	0	0	0	116	F73	F73-G75 PolarHBondContact O-N 3.37Å
76	C	85.7	Confident	81.4	Confident	4 Å²	4	57.6 Å²	57.6	3%	0.027	32%	0.317	C	S	.	.	H	α-helix	trans	-90.1	-15.4	-175	-62.8	0	0	0	0	113.7	F73 D74 Q78 L79 A80 W102	F73-C76 HydrophobicContact CB-CB 3.75Å; F73-C76 WeakPolarHBondContact O-CB 3.49Å; F73-C76 PolarHBondContact O-N 3.47Å; D74-C76 PolarHBondContact O-N 3.22Å; D74-C76 PolarHBondContact O-SG 3.47Å; C76-Q78 PolarHBondContact O-N 3.38Å; C76-L79 PolarHBondContact O-N 3.1Å; C76-A80 WeakPolarHBondContact O-CB 3.5Å; C76-A80 PolarHBondContact O-N 2.87Å; C76-W102 HydrophobicContact CB-CZ3 4.26Å
77	F	87.6	Confident	82.7	Confident	68 Å²	68	56.7 Å²	56.7	30%	0.298	31%	0.307	S	S	.	.	H	α-helix	trans	-59.4	-46.3	-179	-179.2	-100.1	0	0	0	112.5	L79 A80 L81 L98	F77-L79 PolarHBondContact O-N 3.31Å; F77-A80 WeakPolarHBondContact O-CB 3.43Å; F77-A80 PolarHBondContact O-N 2.82Å; F77-L81 HydrophobicContact CD1-CD1 3.86Å; F77-L81 HydrophobicContact CD1-CG 4.4Å; F77-L81 HydrophobicContact CE1-CD1 3.37Å; F77-L81 HydrophobicContact CE1-CG 4.04Å; F77-L81 HydrophobicContact CZ-CD1 3.94Å; F77-L81 HydrophobicContact CZ-CD2 4.43Å; F77-L81 HydrophobicContact CZ-CG 4.21Å; F77-L81 PolarHBondContact O-N 2.85Å; F77-L98 HydrophobicContact CD2-CB 4.11Å; F77-L98 HydrophobicContact CD2-CD2 4.33Å; F77-L98 HydrophobicContact CE2-CB 3.92Å; F77-L98 HydrophobicContact CE2-CD2 3.89Å; F77-L98 HydrophobicContact CZ-CD2 4.42Å
78	Q	87.5	Confident	83.8	Confident	100 Å²	100	56 Å²	56	47%	0.467	30%	0.304	S	S	.	.	H	α-helix	trans	-65.2	-40	178.2	-176	60.9	25.8	0	0	111.8	C76 A80 L81 E82	C76-Q78 PolarHBondContact O-N 3.38Å; Q78-A80 VanDerWaalsContact C-N 3.35Å; Q78-L81 WeakPolarHBondContact O-CB 3.4Å; Q78-L81 PolarHBondContact O-N 2.86Å; Q78-E82 PolarHBondContact NE2-OE1 3.47Å; Q78-E82 WeakPolarHBondContact O-CG 3.3Å; Q78-E82 PolarHBondContact O-N 3.29Å
79	L	88.1	Confident	85.2	Confident	59 Å²	59	51.1 Å²	51.1	31%	0.309	28%	0.276	S	S	.	.	H	α-helix	trans	-63.8	-41.3	175.2	-65.3	172.6	0	0	0	111.7	C76 F77 E82 D83	C76-L79 PolarHBondContact O-N 3.1Å; F77-L79 PolarHBondContact O-N 3.31Å; L79-E82 PolarHBondContact O-N 3.25Å; L79-D83 WeakPolarHBondContact O-CB 3.47Å; L79-D83 PolarHBondContact O-N 3.47Å
80	A	92.1	Very high	86.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63	-43.3	175.9	0	0	0	0	0	111.3	C76 F77 Q78 E82 L84 L98 W102	C76-A80 WeakPolarHBondContact O-CB 3.5Å; C76-A80 PolarHBondContact O-N 2.87Å; F77-A80 WeakPolarHBondContact O-CB 3.43Å; F77-A80 PolarHBondContact O-N 2.82Å; Q78-A80 VanDerWaalsContact C-N 3.35Å; A80-E82 VanDerWaalsContact C-N 3.33Å; A80-E82 PolarHBondContact O-N 3.46Å; A80-L84 WeakPolarHBondContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CG 3.4Å; A80-L84 PolarHBondContact O-N 3.48Å; A80-L98 HydrophobicContact CB-CD2 4.45Å; A80-L98 HydrophobicContact CB-CG 4.23Å; A80-W102 HydrophobicContact CB-CB 3.59Å; A80-W102 HydrophobicContact CB-CD2 4.15Å; A80-W102 HydrophobicContact CB-CE3 4.5Å; A80-W102 HydrophobicContact CB-CG 3.76Å
81	L	90.9	Very high	87.3	Confident	11 Å²	11	44.7 Å²	44.7	6%	0.058	24%	0.236	C	C	.	.	H	α-helix	trans	-58.3	-44.8	173.5	-77.5	175.2	0	0	0	111.9	F77 Q78 C85 Y90 P91 L98	F77-L81 HydrophobicContact CD1-CD1 3.86Å; F77-L81 HydrophobicContact CD1-CG 4.4Å; F77-L81 HydrophobicContact CE1-CD1 3.37Å; F77-L81 HydrophobicContact CE1-CG 4.04Å; F77-L81 HydrophobicContact CZ-CD1 3.94Å; F77-L81 HydrophobicContact CZ-CD2 4.43Å; F77-L81 HydrophobicContact CZ-CG 4.21Å; F77-L81 PolarHBondContact O-N 2.85Å; Q78-L81 WeakPolarHBondContact O-CB 3.4Å; Q78-L81 PolarHBondContact O-N 2.86Å; L81-C85 PolarHBondContact O-N 3.03Å; L81-C85 VanDerWaalsContact O-N 3.08Å; L81-Y90 HydrophobicContact CB-CD1 4.21Å; L81-Y90 WeakPolarHBondContact O-CD1 3.22Å; L81-P91 HydrophobicContact CD2-CG 3.94Å; L81-L98 HydrophobicContact CD2-CD2 3.54Å; L81-L98 HydrophobicContact CG-CD2 3.87Å
82	E	89.3	Confident	88	Confident	101 Å²	101	44.6 Å²	44.6	47%	0.472	24%	0.237	S	C	.	.	H	α-helix	trans	-70.4	-42	-177.8	-73.6	173.3	-165.9	0	0	113.1	Q78 L79 A80 C85	Q78-E82 PolarHBondContact NE2-OE1 3.47Å; Q78-E82 WeakPolarHBondContact O-CG 3.3Å; Q78-E82 PolarHBondContact O-N 3.29Å; L79-E82 PolarHBondContact O-N 3.25Å; A80-E82 VanDerWaalsContact C-N 3.33Å; A80-E82 PolarHBondContact O-N 3.46Å; E82-C85 VanDerWaalsContact O-CB 3.23Å; E82-C85 WeakPolarHBondContact O-CB 3.42Å; E82-C85 PolarHBondContact O-N 2.95Å
83	D	91	Very high	88.2	Confident	78 Å²	78	45.6 Å²	45.6	42%	0.417	24%	0.238	S	C	.	.	H	α-helix	trans	-73.2	-35.4	-179.7	-171.9	40.1	0	0	0	112.6	L79 C85 W102 K144	L79-D83 WeakPolarHBondContact O-CB 3.47Å; L79-D83 PolarHBondContact O-N 3.47Å; D83-C85 VanDerWaalsContact C-N 3.26Å; D83-C85 PolarHBondContact O-N 3.25Å; D83-W102 VanDerWaalsContact OD2-CD1 3.31Å; D83-W102 PolarHBondContact OD2-NE1 3.38Å; D83-K144 PolarHBondContact O-NZ 3.02Å
84	L	94.5	Very high	88.6	Confident	1 Å²	1	48 Å²	48	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-78.1	-9.6	173.8	-64.4	175	0	0	0	112.5	A80 C86 P91 L98 F101 W102 K105 H133	A80-L84 WeakPolarHBondContact O-CB 3.29Å; A80-L84 WeakPolarHBondContact O-CG 3.4Å; A80-L84 PolarHBondContact O-N 3.48Å; L84-C86 PolarHBondContact O-N 2.78Å; L84-C86 PolarHBondContact O-SG 3.29Å; L84-P91 HydrophobicContact CB-CG 3.89Å; L84-P91 HydrophobicContact CD1-CG 4.38Å; L84-L98 HydrophobicContact CD1-CD1 3.66Å; L84-L98 HydrophobicContact CD1-CG 4.18Å; L84-F101 HydrophobicContact CD1-CD1 3.93Å; L84-F101 HydrophobicContact CD1-CE1 4.22Å; L84-F101 HydrophobicContact CD2-CE1 4.3Å; L84-W102 HydrophobicContact CD1-CB 4.22Å; L84-K105 HydrophobicContact CD2-CD 3.9Å; L84-H133 WeakPolarHBondContact CB-NE2 3.37Å; L84-H133 PolarHBondContact O-CE1 3.38Å; L84-H133 PolarHBondContact O-NE2 3.13Å
85	C	92.5	Very high	89.3	Confident	21 Å²	21	40.4 Å²	40.4	14%	0.142	21%	0.211	C	C	.	.			trans	-60	128.2	175.1	-172.4	0	0	0	0	111.2	L81 E82 D83 E89 Y90	L81-C85 PolarHBondContact O-N 3.03Å; L81-C85 VanDerWaalsContact O-N 3.08Å; E82-C85 VanDerWaalsContact O-CB 3.23Å; E82-C85 WeakPolarHBondContact O-CB 3.42Å; E82-C85 PolarHBondContact O-N 2.95Å; D83-C85 VanDerWaalsContact C-N 3.26Å; D83-C85 PolarHBondContact O-N 3.25Å; C85-E89 WeakPolarHBondContact CA-O 3.33Å; C85-E89 PolarHBondContact SG-O 3.05Å; C85-Y90 HydrophobicContact CB-CD1 3.98Å; C85-Y90 HydrophobicContact CB-CE1 3.9Å
86	C	92.2	Very high	89.8	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.014	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-124.3	119.3	-179.1	-68.2	0	0	0	0	108.9	L84 G88 E89 H133 I137 S142	L84-C86 PolarHBondContact O-N 2.78Å; L84-C86 PolarHBondContact O-SG 3.29Å; C86-G88 PolarHBondContact O-N 3.09Å; C86-E89 PolarHBondContact N-O 3.14Å; C86-E89 WeakPolarHBondContact O-CB 3.29Å; C86-E89 PolarHBondContact O-N 3.37Å; C86-H133 PolarHBondContact SG-CE1 3.36Å; C86-I137 HydrophobicContact CB-CD1 3.65Å; C86-S142 WeakPolarHBondContact CB-OG 3.37Å
87	E	89	Confident	90	Very high	37 Å²	37	39.9 Å²	39.9	17%	0.173	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	34.8	179.1	-66.1	77.3	-154.9	0	0	113.7	E89 S142 P143 K144 K470 I502 N503	E87-E89 VanDerWaalsContact C-N 3.26Å; E87-E89 PolarHBondContact O-N 2.86Å; E87-S142 WeakPolarHBondContact OE2-CA 3.41Å; E87-S142 VanDerWaalsContact OE2-CB 3.27Å; E87-S142 WeakPolarHBondContact OE2-CB 3.46Å; E87-S142 PolarHBondContact OE2-OG 2.98Å; E87-P143 HydrophobicContact CG-CG 4.46Å; E87-K144 VanDerWaalsContact OE1-CB 3.32Å; E87-K144 WeakPolarHBondContact OE1-CB 3.49Å; E87-K144 PolarHBondContact OE1-N 2.78Å; E87-K470 CarbonylContact C-O 3.54Å; E87-I502 HydrophobicContact CB-CG2 3.8Å; E87-I502 HydrophobicContact CG-CG2 4.07Å; E87-I502 WeakPolarHBondContact CG-O 3.38Å; E87-N503 HydrophobicContact CB-CB 4.46Å; E87-N503 HydrophobicContact CG-CB 4.3Å
88	G	85.4	Confident	90.3	Very high	6 Å²	6	36.7 Å²	36.7	6%	0.062	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	-1	-178.5	0	0	0	0	0	115.1	C86	C86-G88 PolarHBondContact O-N 3.09Å
89	E	87.7	Confident	90.5	Very high	41 Å²	41	31.9 Å²	31.9	19%	0.192	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-92.7	128.1	174.1	-57.4	-59.5	154.9	0	0	109.7	C85 C86 E87 I137	C85-E89 WeakPolarHBondContact CA-O 3.33Å; C85-E89 PolarHBondContact SG-O 3.05Å; C86-E89 PolarHBondContact N-O 3.14Å; C86-E89 WeakPolarHBondContact O-CB 3.29Å; C86-E89 PolarHBondContact O-N 3.37Å; E87-E89 VanDerWaalsContact C-N 3.26Å; E87-E89 PolarHBondContact O-N 2.86Å; E89-I137 HydrophobicContact CB-CG2 4.17Å
90	Y	90.5	Very high	90.6	Very high	84 Å²	84	29.1 Å²	29.1	33%	0.329	14%	0.138	S	C	.	.	P	Polyproline II helix	trans	-91.1	150	179.1	-69.1	-88.6	0	0	0	110.2	L81 C85	L81-Y90 HydrophobicContact CB-CD1 4.21Å; L81-Y90 WeakPolarHBondContact O-CD1 3.22Å; C85-Y90 HydrophobicContact CB-CD1 3.98Å; C85-Y90 HydrophobicContact CB-CE1 3.9Å
91	P	92.5	Very high	90.7	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-59.9	154.5	169.4	29.1	-36.1	0	0	0	110.2	L81 L84 R93 L98 L136	L81-P91 HydrophobicContact CD2-CG 3.94Å; L84-P91 HydrophobicContact CB-CG 3.89Å; L84-P91 HydrophobicContact CD1-CG 4.38Å; P91-R93 PolarHBondContact O-N 2.86Å; P91-R93 VanDerWaalsContact O-N 3.11Å; P91-L98 HydrophobicContact CB-CD1 4.36Å; P91-L98 HydrophobicContact CG-CD1 4.23Å; P91-L98 HydrophobicContact CG-CD2 4.06Å; P91-L136 HydrophobicContact CB-CB 3.77Å; P91-L136 HydrophobicContact CB-CD1 4.06Å
92	F	91.9	Very high	90.9	Very high	24 Å²	24	29.1 Å²	29.1	11%	0.105	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-50.5	119.6	-178.3	-174.7	-120.8	0	0	0	112.1	L94 T95 L136 W384 W410	F92-L94 VanDerWaalsContact C-N 3.31Å; F92-L94 HydrophobicContact CD1-CB 4.34Å; F92-L94 HydrophobicContact CE1-CB 3.7Å; F92-L94 HydrophobicContact CZ-CB 3.91Å; F92-L94 HydrophobicContact CZ-CD1 4.07Å; F92-L94 HydrophobicContact CZ-CG 4.31Å; F92-L94 PolarHBondContact O-N 3.02Å; F92-T95 WeakPolarHBondContact O-CB 3.49Å; F92-T95 PolarHBondContact O-N 3.1Å; F92-T95 VanDerWaalsContact O-N 3.12Å; F92-T95 PolarHBondContact O-OG1 3.34Å; F92-L136 PolarHBondContact N-O 3.41Å; F92-W384 AromaticContact CD1-CD2 3.87Å; F92-W384 HydrophobicContact CD1-CD2 3.87Å; F92-W384 AromaticContact CD1-CE2 3.73Å; F92-W384 HydrophobicContact CD1-CE3 4.43Å; F92-W384 HydrophobicContact CD1-CG 4.11Å; F92-W384 HydrophobicContact CD1-CZ2 4.2Å; F92-W384 AromaticContact CD1-NE1 3.91Å; F92-W384 HydrophobicContact CE1-CB 3.99Å; F92-W384 AromaticContact CE1-CD1 3.91Å; F92-W384 AromaticContact CE1-CD2 3.67Å; F92-W384 HydrophobicContact CE1-CD2 3.67Å; F92-W384 HydrophobicContact CE1-CE3 4.2Å; F92-W384 AromaticContact CE1-CG 3.59Å; F92-W384 HydrophobicContact CE1-CG 3.59Å; F92-W384 HydrophobicContact CZ-CB 4.29Å; F92-W384 HydrophobicContact CZ-CG 4.2Å; F92-W410 HydrophobicContact CE1-CE3 4.1Å; F92-W410 WeakPolarHBondContact CE2-O 3.2Å; F92-W410 HydrophobicContact CZ-CB 4.24Å; F92-W410 AromaticContact CZ-CE3 3.95Å; F92-W410 HydrophobicContact CZ-CE3 3.95Å
93	R	86.3	Confident	91	Very high	71 Å²	71	24.3 Å²	24.3	27%	0.268	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-25.7	-166.4	-71.3	170	162.2	-164.5	-23.8	114.8	P91 D441 S443	P91-R93 PolarHBondContact O-N 2.86Å; P91-R93 VanDerWaalsContact O-N 3.11Å; R93-D441 IonicContact CZ-OD1 2.88Å; R93-D441 IonicContact CZ-OD2 2.74Å; R93-D441 IonicContact NH1-OD1 2.97Å; R93-D441 PolarHBondContact NH1-OD1 2.98Å; R93-D441 IonicContact NH1-OD2 3.34Å; R93-D441 PolarHBondContact NH1-OD2 3.27Å; R93-D441 IonicContact NH2-OD1 3.76Å; R93-D441 PolarHBondContact NH2-OD1 3.21Å; R93-S443 VanDerWaalsContact CZ-CB 3.49Å
94	L	89.2	Confident	91.2	Very high	65 Å²	65	20.6 Å²	20.6	34%	0.34	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	9.7	178.3	-58.7	173.1	0	0	0	112.1	F92 W410	F92-L94 VanDerWaalsContact C-N 3.31Å; F92-L94 HydrophobicContact CD1-CB 4.34Å; F92-L94 HydrophobicContact CE1-CB 3.7Å; F92-L94 HydrophobicContact CZ-CB 3.91Å; F92-L94 HydrophobicContact CZ-CD1 4.07Å; F92-L94 HydrophobicContact CZ-CG 4.31Å; F92-L94 PolarHBondContact O-N 3.02Å; L94-W410 HydrophobicContact CB-CE3 4.43Å; L94-W410 HydrophobicContact CD1-CE3 3.91Å
95	T	91.6	Very high	91.2	Very high	5 Å²	5	21.6 Å²	21.6	3%	0.031	10%	0.099	C	C	.	.			trans	-66.2	131.3	172.7	-68	0	0	0	0	110.5	F57 F92 L98 L136	F57-T95 HydrophobicContact CE2-CG2 3.48Å; F57-T95 VanDerWaalsContact CE2-CG2 3.48Å; F57-T95 HydrophobicContact CZ-CG2 3.69Å; F92-T95 WeakPolarHBondContact O-CB 3.49Å; F92-T95 PolarHBondContact O-N 3.1Å; F92-T95 VanDerWaalsContact O-N 3.12Å; F92-T95 PolarHBondContact O-OG1 3.34Å; T95-L98 HydrophobicContact CG2-CD1 4.44Å; T95-L136 HydrophobicContact CG2-CD1 4.33Å; T95-L136 HydrophobicContact CG2-CD2 3.87Å; T95-L136 VanDerWaalsContact OG1-CD2 3.25Å; T95-L136 WeakPolarHBondContact OG1-CD2 3.21Å
96	K	90.1	Very high	91.3	Very high	63 Å²	63	21.9 Å²	21.9	27%	0.274	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	140	178	-65.7	178.6	171.2	-173.9	0	110.5	V60 N61 V67	V60-K96 HydrophobicContact CG1-CB 3.48Å; V60-K96 VanDerWaalsContact CG1-CB 3.48Å; V60-K96 HydrophobicContact CG1-CD 3.32Å; V60-K96 HydrophobicContact CG1-CG 4.04Å; N61-K96 PolarHBondContact ND2-O 3.2Å; N61-K96 PolarHBondContact OD1-N 3.04Å; V67-K96 PolarHBondContact O-NZ 2.94Å
97	S	90.4	Very high	91.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	41.7	173.6	-43.9	0	0	0	0	113.5	Y56 Y71 E72 L100 F101	Y56-S97 WeakPolarHBondContact CE1-OG 3.16Å; Y71-S97 PolarHBondContact N-OG 3.03Å; Y71-S97 VanDerWaalsContact N-OG 3.08Å; Y71-S97 VanDerWaalsContact O-CA 3.27Å; Y71-S97 WeakPolarHBondContact O-CA 3.31Å; Y71-S97 WeakPolarHBondContact O-CB 3.42Å; E72-S97 WeakPolarHBondContact OE1-CA 3.42Å; E72-S97 PolarHBondContact OE1-N 3.45Å; S97-L100 PolarHBondContact O-N 3.2Å; S97-F101 PolarHBondContact O-N 3.12Å
98	L	93.1	Very high	91.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.9	-38.8	-176.4	-176	66.1	0	0	0	112	E72 F77 A80 L81 L84 P91 T95 L100 F101 W102 L136	E72-L98 PolarHBondContact OE1-N 3.27Å; E72-L98 PolarHBondContact OE2-N 3.4Å; F77-L98 HydrophobicContact CD2-CB 4.11Å; F77-L98 HydrophobicContact CD2-CD2 4.33Å; F77-L98 HydrophobicContact CE2-CB 3.92Å; F77-L98 HydrophobicContact CE2-CD2 3.89Å; F77-L98 HydrophobicContact CZ-CD2 4.42Å; A80-L98 HydrophobicContact CB-CD2 4.45Å; A80-L98 HydrophobicContact CB-CG 4.23Å; L81-L98 HydrophobicContact CD2-CD2 3.54Å; L81-L98 HydrophobicContact CG-CD2 3.87Å; L84-L98 HydrophobicContact CD1-CD1 3.66Å; L84-L98 HydrophobicContact CD1-CG 4.18Å; P91-L98 HydrophobicContact CB-CD1 4.36Å; P91-L98 HydrophobicContact CG-CD1 4.23Å; P91-L98 HydrophobicContact CG-CD2 4.06Å; T95-L98 HydrophobicContact CG2-CD1 4.44Å; L98-L100 VanDerWaalsContact C-N 3.28Å; L98-L100 PolarHBondContact O-N 3.37Å; L98-F101 HydrophobicContact CD1-CD1 4.39Å; L98-F101 PolarHBondContact O-N 3.29Å; L98-W102 WeakPolarHBondContact O-CB 3.39Å; L98-W102 PolarHBondContact O-N 2.7Å; L98-L136 HydrophobicContact CD1-CD1 4.02Å
99	S	91.6	Very high	92.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.5	-31.1	177.8	59.5	0	0	0	0	112.7	E72 F73 L103	E72-S99 WeakPolarHBondContact CA-OG 3.47Å; E72-S99 WeakPolarHBondContact OE2-CB 3.45Å; E72-S99 PolarHBondContact OE2-N 3.16Å; E72-S99 PolarHBondContact OE2-OG 3.04Å; F73-S99 PolarHBondContact N-OG 3.39Å; S99-L103 WeakPolarHBondContact O-CB 3.46Å; S99-L103 PolarHBondContact O-N 3.34Å
100	L	91.4	Very high	92.3	Very high	0 Å²	0	25 Å²	25	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-68.7	-41.9	172.4	-176.2	66.6	0	0	0	112.1	I18 A53 Y56 Y71 F73 S97 L98 W102 L103 C104	I18-L100 HydrophobicContact CG2-CD1 4.15Å; A53-L100 HydrophobicContact CB-CD1 3.75Å; A53-L100 HydrophobicContact CB-CD2 4.35Å; A53-L100 HydrophobicContact CB-CG 3.86Å; Y56-L100 HydrophobicContact CD1-CD2 3.49Å; Y56-L100 VanDerWaalsContact CD1-CD2 3.49Å; Y56-L100 HydrophobicContact CE1-CD2 4.19Å; Y56-L100 HydrophobicContact CG-CD2 4.26Å; Y71-L100 HydrophobicContact CD1-CB 4.06Å; Y71-L100 HydrophobicContact CD1-CD1 4.2Å; Y71-L100 HydrophobicContact CD1-CD2 4.09Å; Y71-L100 HydrophobicContact CD1-CG 4.34Å; Y71-L100 HydrophobicContact CE1-CB 4.49Å; Y71-L100 HydrophobicContact CE1-CD1 4.07Å; F73-L100 HydrophobicContact CE2-CB 4.45Å; F73-L100 HydrophobicContact CE2-CD1 4.12Å; F73-L100 HydrophobicContact CZ-CD1 4.32Å; S97-L100 PolarHBondContact O-N 3.2Å; L98-L100 VanDerWaalsContact C-N 3.28Å; L98-L100 PolarHBondContact O-N 3.37Å; L100-W102 VanDerWaalsContact C-N 3.35Å; L100-L103 PolarHBondContact O-N 3.27Å; L100-C104 WeakPolarHBondContact O-CB 3.37Å; L100-C104 PolarHBondContact O-N 3.28Å
101	F	94.6	Very high	92.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.7	-41.7	174	174.6	-107.9	0	0	0	112	F57 L84 S97 L98 C104 K105 C129 L132 H133 L136	F57-F101 HydrophobicContact CD1-CD2 4.03Å; F57-F101 HydrophobicContact CD1-CG 4.48Å; F57-F101 HydrophobicContact CD2-CB 3.59Å; F57-F101 HydrophobicContact CD2-CG 4.26Å; F57-F101 HydrophobicContact CE1-CD2 4.14Å; F57-F101 HydrophobicContact CE1-CG 4.38Å; F57-F101 HydrophobicContact CE2-CB 3.74Å; F57-F101 HydrophobicContact CE2-CG 4.14Å; F57-F101 HydrophobicContact CG-CB 4.02Å; F57-F101 HydrophobicContact CG-CD2 4.23Å; F57-F101 HydrophobicContact CG-CG 4.41Å; F57-F101 HydrophobicContact CZ-CB 4.31Å; F57-F101 HydrophobicContact CZ-CD2 4.43Å; F57-F101 HydrophobicContact CZ-CG 4.21Å; L84-F101 HydrophobicContact CD1-CD1 3.93Å; L84-F101 HydrophobicContact CD1-CE1 4.22Å; L84-F101 HydrophobicContact CD2-CE1 4.3Å; S97-F101 PolarHBondContact O-N 3.12Å; L98-F101 HydrophobicContact CD1-CD1 4.39Å; L98-F101 PolarHBondContact O-N 3.29Å; F101-C104 WeakPolarHBondContact O-CB 3.49Å; F101-C104 PolarHBondContact O-N 3.14Å; F101-K105 PolarHBondContact O-N 2.94Å; F101-C129 HydrophobicContact CE2-CB 4.22Å; F101-C129 HydrophobicContact CZ-CB 4.34Å; F101-C129 WeakPolarHBondContact CZ-O 3.29Å; F101-L132 HydrophobicContact CD2-CD1 4.42Å; F101-L132 HydrophobicContact CE2-CB 3.72Å; F101-L132 HydrophobicContact CE2-CD1 3.92Å; F101-L132 HydrophobicContact CZ-CB 3.85Å; F101-H133 HydrophobicContact CE1-CB 4.13Å; F101-H133 HydrophobicContact CZ-CB 4Å; F101-L136 HydrophobicContact CD1-CD1 4.21Å; F101-L136 HydrophobicContact CE1-CD1 4.14Å
102	W	94.2	Very high	92.4	Very high	12 Å²	12	22.5 Å²	22.5	5%	0.045	10%	0.097	C	C	.	.	H	α-helix	trans	-57.4	-49.2	173.7	169.1	68.4	0	0	0	111.9	C76 A80 D83 L84 L98 L100 C104 K105 R106	C76-W102 HydrophobicContact CB-CZ3 4.26Å; A80-W102 HydrophobicContact CB-CB 3.59Å; A80-W102 HydrophobicContact CB-CD2 4.15Å; A80-W102 HydrophobicContact CB-CE3 4.5Å; A80-W102 HydrophobicContact CB-CG 3.76Å; D83-W102 VanDerWaalsContact OD2-CD1 3.31Å; D83-W102 PolarHBondContact OD2-NE1 3.38Å; L84-W102 HydrophobicContact CD1-CB 4.22Å; L98-W102 WeakPolarHBondContact O-CB 3.39Å; L98-W102 PolarHBondContact O-N 2.7Å; L100-W102 VanDerWaalsContact C-N 3.35Å; W102-C104 VanDerWaalsContact C-N 3.34Å; W102-C104 PolarHBondContact O-N 3.16Å; W102-K105 PolarHBondContact O-N 3.46Å; W102-R106 VanDerWaalsContact CE2-CD 3.41Å; W102-R106 WeakPolarHBondContact O-CG 3.49Å; W102-R106 PolarHBondContact O-N 3.16Å
103	L	92.3	Very high	92.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.5	-46.3	174.4	177.3	66.4	0	0	0	111.7	F22 L27 L35 F73 S99 L100 K105 R106 L107	F22-L103 HydrophobicContact CD2-CD2 4.01Å; F22-L103 HydrophobicContact CE2-CD2 3.67Å; F22-L103 HydrophobicContact CZ-CD1 4.48Å; F22-L103 HydrophobicContact CZ-CD2 4.11Å; L27-L103 HydrophobicContact CD2-CD1 4.05Å; L35-L103 HydrophobicContact CD1-CD1 3.82Å; L35-L103 HydrophobicContact CD2-CD1 3.53Å; L35-L103 HydrophobicContact CG-CD1 4.22Å; F73-L103 HydrophobicContact CE2-CB 4.26Å; F73-L103 HydrophobicContact CE2-CD2 3.64Å; F73-L103 HydrophobicContact CZ-CD2 3.53Å; S99-L103 WeakPolarHBondContact O-CB 3.46Å; S99-L103 PolarHBondContact O-N 3.34Å; L100-L103 PolarHBondContact O-N 3.27Å; L103-K105 PolarHBondContact O-N 3.45Å; L103-R106 PolarHBondContact O-N 2.97Å; L103-L107 HydrophobicContact CD1-CD1 4.43Å; L103-L107 HydrophobicContact CD1-CG 4.45Å; L103-L107 HydrophobicContact CG-CD1 4.25Å; L103-L107 WeakPolarHBondContact O-CG 3.34Å; L103-L107 PolarHBondContact O-N 2.9Å
104	C	94.1	Very high	92.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57	-47.7	177.1	-175.6	0	0	0	0	111.4	A53 L100 F101 W102 R106 L107 C108	A53-C104 HydrophobicContact CB-CB 3.87Å; L100-C104 WeakPolarHBondContact O-CB 3.37Å; L100-C104 PolarHBondContact O-N 3.28Å; F101-C104 WeakPolarHBondContact O-CB 3.49Å; F101-C104 PolarHBondContact O-N 3.14Å; W102-C104 VanDerWaalsContact C-N 3.34Å; W102-C104 PolarHBondContact O-N 3.16Å; C104-R106 PolarHBondContact O-N 2.96Å; C104-L107 PolarHBondContact O-N 3.44Å; C104-C108 PolarHBondContact O-N 2.96Å; C104-C108 PolarHBondContact O-SG 2.92Å
105	K	95.6	Very high	92.2	Very high	21 Å²	21	26.5 Å²	26.5	9%	0.091	13%	0.127	C	C	.	.	H	α-helix	trans	-61.6	-43	178.1	-169	-176.2	-176.8	-158.6	0	112.2	L84 F101 W102 L103 C108 R109 Y126 C129 H133 E148	L84-K105 HydrophobicContact CD2-CD 3.9Å; F101-K105 PolarHBondContact O-N 2.94Å; W102-K105 PolarHBondContact O-N 3.46Å; L103-K105 PolarHBondContact O-N 3.45Å; K105-C108 PolarHBondContact O-N 3.41Å; K105-R109 WeakPolarHBondContact O-CB 3.28Å; K105-R109 PolarHBondContact O-N 3.33Å; K105-Y126 HydrophobicContact CG-CD2 4.44Å; K105-Y126 HydrophobicContact CG-CE2 4.02Å; K105-C129 HydrophobicContact CB-CB 4.22Å; K105-C129 HydrophobicContact CG-CB 3.97Å; K105-H133 PolarHBondContact NZ-ND1 2.97Å; K105-E148 WeakPolarHBondContact CE-OE2 3.41Å; K105-E148 IonicContact NZ-OE1 2.81Å; K105-E148 IonicContact NZ-OE2 2.74Å; K105-E148 PolarHBondContact NZ-OE2 3.31Å
106	R	93.7	Very high	91.9	Very high	28 Å²	28	35 Å²	35	11%	0.106	17%	0.166	C	C	.	.	H	α-helix	trans	-60.5	-47.1	176.8	-72.6	-178.6	62.9	-173.9	1.9	111.8	L30 D32 W102 L103 C104 R109 K110	L30-R106 PolarHBondContact O-NH2 3.42Å; D32-R106 IonicContact OD1-CZ 3.91Å; D32-R106 IonicContact OD1-NE 2.78Å; D32-R106 PolarHBondContact OD1-NE 2.85Å; D32-R106 IonicContact OD1-NH2 3.83Å; D32-R106 PolarHBondContact OD1-NH2 3.21Å; W102-R106 VanDerWaalsContact CE2-CD 3.41Å; W102-R106 WeakPolarHBondContact O-CG 3.49Å; W102-R106 PolarHBondContact O-N 3.16Å; L103-R106 PolarHBondContact O-N 2.97Å; C104-R106 PolarHBondContact O-N 2.96Å; R106-R109 PolarHBondContact O-N 2.69Å; R106-K110 PolarHBondContact O-N 2.89Å
107	L	94.1	Very high	91.5	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-60.9	-45.9	176.5	-69.9	175.1	0	0	0	111.8	L35 V36 L39 V46 V49 I50 L103 C104 R109 K110 M111	L35-L107 HydrophobicContact CD2-CD2 3.45Å; L35-L107 VanDerWaalsContact CD2-CD2 3.45Å; L35-L107 HydrophobicContact CD2-CG 3.91Å; L35-L107 HydrophobicContact CG-CD2 3.86Å; V36-L107 HydrophobicContact CG2-CD2 4.06Å; L39-L107 HydrophobicContact CD1-CD1 4.08Å; L39-L107 HydrophobicContact CD1-CD2 3.79Å; V46-L107 HydrophobicContact CG1-CB 4.26Å; V46-L107 HydrophobicContact CG1-CD1 4.48Å; V46-L107 HydrophobicContact CG1-CD2 4.04Å; V49-L107 HydrophobicContact CG1-CD1 3.79Å; I50-L107 HydrophobicContact CD1-CB 4Å; I50-L107 HydrophobicContact CG1-CB 3.83Å; I50-L107 HydrophobicContact CG1-CD1 4.42Å; L103-L107 HydrophobicContact CD1-CD1 4.43Å; L103-L107 HydrophobicContact CD1-CG 4.45Å; L103-L107 HydrophobicContact CG-CD1 4.25Å; L103-L107 WeakPolarHBondContact O-CG 3.34Å; L103-L107 PolarHBondContact O-N 2.9Å; C104-L107 PolarHBondContact O-N 3.44Å; L107-R109 PolarHBondContact O-N 3.17Å; L107-K110 PolarHBondContact O-N 3.06Å; L107-M111 WeakPolarHBondContact O-CB 3.23Å; L107-M111 VanDerWaalsContact O-CG 3.28Å; L107-M111 WeakPolarHBondContact O-CG 3.49Å; L107-M111 PolarHBondContact O-N 2.92Å
108	C	94.8	Very high	91.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.3	-49.6	175.9	-73.1	0	0	0	0	111.9	I50 C104 K105 K110 M111 S112 Y126	I50-C108 WeakPolarHBondContact CG2-SG 3.47Å; C104-C108 PolarHBondContact O-N 2.96Å; C104-C108 PolarHBondContact O-SG 2.92Å; K105-C108 PolarHBondContact O-N 3.41Å; C108-K110 PolarHBondContact O-N 3Å; C108-M111 PolarHBondContact O-N 3.48Å; C108-S112 VanDerWaalsContact O-CB 3.31Å; C108-S112 WeakPolarHBondContact O-CB 3.47Å; C108-S112 PolarHBondContact O-N 2.87Å; C108-S112 PolarHBondContact O-OG 2.85Å; C108-Y126 HydrophobicContact CB-CD2 3.96Å; C108-Y126 HydrophobicContact CB-CG 4.25Å
109	R	93.7	Very high	91.2	Very high	118 Å²	118	42.6 Å²	42.6	45%	0.445	22%	0.216	S	C	.	.	H	α-helix	trans	-60.7	-43.2	180	-177.7	-176.7	-179.4	-173.4	2.1	112	K105 R106 L107 S112 Y126	K105-R109 WeakPolarHBondContact O-CB 3.28Å; K105-R109 PolarHBondContact O-N 3.33Å; R106-R109 PolarHBondContact O-N 2.69Å; L107-R109 PolarHBondContact O-N 3.17Å; R109-S112 PolarHBondContact O-OG 2.75Å; R109-Y126 HydrophobicContact CB-CD2 4.48Å; R109-Y126 HydrophobicContact CB-CE2 3.95Å
110	K	93.2	Very high	91.2	Very high	32 Å²	32	42.8 Å²	42.8	14%	0.139	22%	0.216	C	C	.	.	H	α-helix	trans	-70.6	-45.7	-179.4	-174.8	60	178.6	-172	0	111.6	D32 D33 V36 R106 L107 C108 S112 M113 V114	D32-K110 HydrophobicContact CB-CB 4.01Å; D32-K110 HydrophobicContact CB-CD 3.93Å; D32-K110 HydrophobicContact CB-CG 3.96Å; D33-K110 VanDerWaalsContact CG-CE 3.46Å; D33-K110 WeakPolarHBondContact OD1-CE 3.3Å; D33-K110 IonicContact OD1-NZ 2.75Å; D33-K110 PolarHBondContact OD1-NZ 3.01Å; D33-K110 IonicContact OD2-NZ 2.63Å; D33-K110 PolarHBondContact OD2-NZ 3.39Å; V36-K110 HydrophobicContact CG2-CB 4.17Å; V36-K110 HydrophobicContact CG2-CG 3.75Å; R106-K110 PolarHBondContact O-N 2.89Å; L107-K110 PolarHBondContact O-N 3.06Å; C108-K110 PolarHBondContact O-N 3Å; K110-S112 VanDerWaalsContact C-N 3.3Å; K110-S112 PolarHBondContact O-N 3.28Å; K110-M113 PolarHBondContact O-N 3.48Å; K110-M113 VanDerWaalsContact O-N 3.14Å; K110-V114 HydrophobicContact CD-CG2 4.31Å; K110-V114 HydrophobicContact CG-CG2 4.5Å; K110-V114 WeakPolarHBondContact O-CG2 3.32Å; K110-V114 PolarHBondContact O-N 3.49Å
111	M	92.9	Very high	91.2	Very high	17 Å²	17	44.8 Å²	44.8	8%	0.084	23%	0.227	C	C	.	.	H	α-helix	trans	-68.5	-29.7	-178.9	-68.6	-56.9	-70.2	0	0	112.8	V36 V46 L107 C108 M113 V114 S115 Y122	V36-M111 HydrophobicContact CG1-SD 3.7Å; V36-M111 HydrophobicContact CG2-SD 4.06Å; V46-M111 HydrophobicContact CB-CE 4.26Å; V46-M111 HydrophobicContact CB-CG 4.25Å; V46-M111 HydrophobicContact CB-SD 4.32Å; V46-M111 HydrophobicContact CG1-CG 3.55Å; V46-M111 HydrophobicContact CG1-SD 4.1Å; V46-M111 HydrophobicContact CG2-CE 4.38Å; V46-M111 HydrophobicContact CG2-SD 4.27Å; L107-M111 WeakPolarHBondContact O-CB 3.23Å; L107-M111 VanDerWaalsContact O-CG 3.28Å; L107-M111 WeakPolarHBondContact O-CG 3.49Å; L107-M111 PolarHBondContact O-N 2.92Å; C108-M111 PolarHBondContact O-N 3.48Å; M111-M113 PolarHBondContact O-N 3.32Å; M111-V114 PolarHBondContact O-N 3.08Å; M111-S115 VanDerWaalsContact O-CB 3.29Å; M111-S115 WeakPolarHBondContact O-CB 3.49Å; M111-S115 PolarHBondContact O-N 3.39Å; M111-Y122 HydrophobicContact CB-CD1 3.4Å; M111-Y122 VanDerWaalsContact CB-CD1 3.4Å; M111-Y122 HydrophobicContact CB-CD2 4.01Å; M111-Y122 HydrophobicContact CB-CE1 3.57Å; M111-Y122 HydrophobicContact CB-CE2 4.14Å; M111-Y122 HydrophobicContact CB-CG 3.64Å; M111-Y122 HydrophobicContact CE-CE1 4.14Å; M111-Y122 HydrophobicContact CE-CE2 3.8Å; M111-Y122 VanDerWaalsContact CE-CZ 3.48Å; M111-Y122 VanDerWaalsContact CE-OH 3.28Å; M111-Y122 WeakPolarHBondContact CE-OH 3.38Å; M111-Y122 HydrophobicContact CG-CD1 4.18Å; M111-Y122 HydrophobicContact CG-CE1 3.87Å
112	S	91	Very high	91.2	Very high	15 Å²	15	45.4 Å²	45.4	11%	0.105	23%	0.229	C	C	.	.	H	α-helix	trans	-65.3	-27.4	173.3	74.5	0	0	0	0	112.5	C108 R109 K110 H123	C108-S112 VanDerWaalsContact O-CB 3.31Å; C108-S112 WeakPolarHBondContact O-CB 3.47Å; C108-S112 PolarHBondContact O-N 2.87Å; C108-S112 PolarHBondContact O-OG 2.85Å; R109-S112 PolarHBondContact O-OG 2.75Å; K110-S112 VanDerWaalsContact C-N 3.3Å; K110-S112 PolarHBondContact O-N 3.28Å; S112-H123 PolarHBondContact O-CE1 3.41Å
113	M	89.2	Confident	91.2	Very high	142 Å²	142	45.4 Å²	45.4	70%	0.7	23%	0.23	S	C	*	.	H	α-helix	trans	-82.5	-31.9	174.5	-67.1	-179.4	157.1	0	0	113.5	K110 M111	K110-M113 PolarHBondContact O-N 3.48Å; K110-M113 VanDerWaalsContact O-N 3.14Å; M111-M113 PolarHBondContact O-N 3.32Å
114	V	89.1	Confident	91.3	Very high	85 Å²	85	45.5 Å²	45.5	52%	0.515	23%	0.23	S	C	.	.	H	α-helix	trans	-93.4	-40.2	-171.4	175.9	0	0	0	0	112.4	K110 M111 Q116	K110-V114 HydrophobicContact CD-CG2 4.31Å; K110-V114 HydrophobicContact CG-CG2 4.5Å; K110-V114 WeakPolarHBondContact O-CG2 3.32Å; K110-V114 PolarHBondContact O-N 3.49Å; M111-V114 PolarHBondContact O-N 3.08Å; V114-Q116 PolarHBondContact O-N 2.85Å
115	S	86.2	Confident	91.4	Very high	17 Å²	17	46 Å²	46	12%	0.119	23%	0.233	C	C	.	.			trans	-85.4	115.7	-170.2	-170.2	0	0	0	0	112.2	M111 L118 S119 Y122	M111-S115 VanDerWaalsContact O-CB 3.29Å; M111-S115 WeakPolarHBondContact O-CB 3.49Å; M111-S115 PolarHBondContact O-N 3.39Å; S115-L118 PolarHBondContact OG-N 3.46Å; S115-S119 WeakPolarHBondContact O-CA 3.34Å; S115-S119 WeakPolarHBondContact O-CB 3.29Å; S115-Y122 VanDerWaalsContact CB-CD2 3.47Å; S115-Y122 VanDerWaalsContact CB-CE2 3.48Å; S115-Y122 WeakPolarHBondContact OG-CE2 3.23Å
116	Q	83.9	Confident	91.5	Very high	184 Å²	184	45.7 Å²	45.7	86%	0.86	23%	0.231	S	C	*	.	S	Bend	trans	-84.2	-35	171.3	-65.8	178	-5.9	0	0	112.4	V114	V114-Q116 PolarHBondContact O-N 2.85Å
117	T	83.3	Confident	91.6	Very high	132 Å²	132	44.4 Å²	44.4	81%	0.81	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-39.2	-173.5	39.1	0	0	0	0	114.2
118	L	86.2	Confident	91.8	Very high	75 Å²	75	45.3 Å²	45.3	39%	0.393	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	26.2	178.1	-58.3	176	0	0	0	111	L47 S115 F120 L121 Y122	L47-L118 HydrophobicContact CD2-CD1 4.39Å; S115-L118 PolarHBondContact OG-N 3.46Å; L118-F120 VanDerWaalsContact C-N 3.33Å; L118-F120 PolarHBondContact O-N 3.35Å; L118-L121 HydrophobicContact CD2-CD1 4.22Å; L118-L121 PolarHBondContact O-N 3.31Å; L118-L121 VanDerWaalsContact O-N 3.1Å; L118-Y122 HydrophobicContact CB-CD2 3.96Å; L118-Y122 HydrophobicContact CB-CE2 3.72Å; L118-Y122 HydrophobicContact CD1-CE2 4.37Å; L118-Y122 VanDerWaalsContact O-CD2 3.28Å; L118-Y122 WeakPolarHBondContact O-CD2 3.37Å; L118-Y122 PolarHBondContact O-N 2.84Å; L118-Y122 VanDerWaalsContact O-N 3.14Å
119	S	89.2	Confident	91.9	Very high	16 Å²	16	45.3 Å²	45.3	11%	0.112	23%	0.23	C	C	.	.	H	α-helix	trans	-48.9	-52.7	-175	178.2	0	0	0	0	111.6	S115 L121 Y122 H123	S115-S119 WeakPolarHBondContact O-CA 3.34Å; S115-S119 WeakPolarHBondContact O-CB 3.29Å; S119-L121 PolarHBondContact O-N 3.2Å; S119-Y122 PolarHBondContact O-N 3.18Å; S119-H123 PolarHBondContact O-N 2.87Å; S119-H123 PolarHBondContact O-ND1 3.26Å; S119-H123 PolarHBondContact OG-CE1 3.36Å; S119-H123 PolarHBondContact OG-ND1 3.17Å
120	F	92	Very high	92.1	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.013	21%	0.209	C	C	.	.	H	α-helix	trans	-57.8	-43	-178.9	178.2	-101.6	0	0	0	113.2	L118 H123 L124 L160 H164 D168 V169 Y172	L118-F120 VanDerWaalsContact C-N 3.33Å; L118-F120 PolarHBondContact O-N 3.35Å; F120-H123 PolarHBondContact O-N 3.32Å; F120-L124 HydrophobicContact CE1-CD2 4.38Å; F120-L124 WeakPolarHBondContact O-CB 3.26Å; F120-L124 PolarHBondContact O-N 2.99Å; F120-L160 HydrophobicContact CD2-CD1 4.41Å; F120-L160 HydrophobicContact CE2-CD1 3.78Å; F120-L160 HydrophobicContact CZ-CD1 4.08Å; F120-H164 VanDerWaalsContact CB-CE1 3.47Å; F120-H164 WeakPolarHBondContact CB-CE1 3.49Å; F120-H164 HydrophobicContact CD1-CB 4.31Å; F120-H164 AromaticContact CD1-CD2 3.85Å; F120-H164 AromaticContact CD1-CE1 3.82Å; F120-H164 AromaticContact CD1-CG 3.65Å; F120-H164 AromaticContact CD1-ND1 3.63Å; F120-H164 AromaticContact CD1-NE2 3.94Å; F120-H164 HydrophobicContact CE1-CB 4.26Å; F120-H164 AromaticContact CG-CD2 3.92Å; F120-H164 AromaticContact CG-CE1 3.84Å; F120-H164 AromaticContact CG-NE2 3.69Å; F120-D168 HydrophobicContact CE1-CB 4.04Å; F120-V169 HydrophobicContact CE1-CG2 4.49Å; F120-V169 HydrophobicContact CZ-CG2 4.3Å; F120-Y172 HydrophobicContact CE2-CD1 4.33Å; F120-Y172 HydrophobicContact CE2-CG 4.15Å; F120-Y172 HydrophobicContact CZ-CG 4.28Å
121	L	91.9	Very high	92.3	Very high	43 Å²	43	38.4 Å²	38.4	23%	0.225	20%	0.203	C	C	.	.	H	α-helix	trans	-68	-40.4	-178.8	-68.2	177.6	0	0	0	112.1	L47 L118 S119 L124 N125	L47-L121 HydrophobicContact CD2-CD1 4.36Å; L118-L121 HydrophobicContact CD2-CD1 4.22Å; L118-L121 PolarHBondContact O-N 3.31Å; L118-L121 VanDerWaalsContact O-N 3.1Å; S119-L121 PolarHBondContact O-N 3.2Å; L121-L124 PolarHBondContact O-N 3.31Å; L121-N125 PolarHBondContact O-N 3.08Å
122	Y	94.3	Very high	92.5	Very high	12 Å²	12	37.6 Å²	37.6	5%	0.047	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-39.2	175	-71.2	-61.6	0	0	0	111.9	L47 I50 M111 S115 L118 S119 N125 Y126	L47-Y122 HydrophobicContact CB-CE1 4.05Å; L47-Y122 HydrophobicContact CD1-CD1 4.29Å; L47-Y122 HydrophobicContact CD1-CE1 3.98Å; I50-Y122 HydrophobicContact CD1-CD1 3.95Å; I50-Y122 HydrophobicContact CD1-CE1 3.9Å; M111-Y122 HydrophobicContact CB-CD1 3.4Å; M111-Y122 VanDerWaalsContact CB-CD1 3.4Å; M111-Y122 HydrophobicContact CB-CD2 4.01Å; M111-Y122 HydrophobicContact CB-CE1 3.57Å; M111-Y122 HydrophobicContact CB-CE2 4.14Å; M111-Y122 HydrophobicContact CB-CG 3.64Å; M111-Y122 HydrophobicContact CE-CE1 4.14Å; M111-Y122 HydrophobicContact CE-CE2 3.8Å; M111-Y122 VanDerWaalsContact CE-CZ 3.48Å; M111-Y122 VanDerWaalsContact CE-OH 3.28Å; M111-Y122 WeakPolarHBondContact CE-OH 3.38Å; M111-Y122 HydrophobicContact CG-CD1 4.18Å; M111-Y122 HydrophobicContact CG-CE1 3.87Å; S115-Y122 VanDerWaalsContact CB-CD2 3.47Å; S115-Y122 VanDerWaalsContact CB-CE2 3.48Å; S115-Y122 WeakPolarHBondContact OG-CE2 3.23Å; L118-Y122 HydrophobicContact CB-CD2 3.96Å; L118-Y122 HydrophobicContact CB-CE2 3.72Å; L118-Y122 HydrophobicContact CD1-CE2 4.37Å; L118-Y122 VanDerWaalsContact O-CD2 3.28Å; L118-Y122 WeakPolarHBondContact O-CD2 3.37Å; L118-Y122 PolarHBondContact O-N 2.84Å; L118-Y122 VanDerWaalsContact O-N 3.14Å; S119-Y122 PolarHBondContact O-N 3.18Å; Y122-N125 PolarHBondContact O-N 3.43Å; Y122-Y126 VanDerWaalsContact O-CB 3.31Å; Y122-Y126 WeakPolarHBondContact O-CB 3.42Å; Y122-Y126 PolarHBondContact O-N 3.46Å
123	H	94.7	Very high	92.8	Very high	13 Å²	13	36.9 Å²	36.9	6%	0.06	19%	0.194	C	C	.	.	H	α-helix	trans	-67	-38.3	174.4	-74.6	90.7	0	0	0	112.6	S112 S119 F120 Y126 L127 I152 C156	S112-H123 PolarHBondContact O-CE1 3.41Å; S119-H123 PolarHBondContact O-N 2.87Å; S119-H123 PolarHBondContact O-ND1 3.26Å; S119-H123 PolarHBondContact OG-CE1 3.36Å; S119-H123 PolarHBondContact OG-ND1 3.17Å; F120-H123 PolarHBondContact O-N 3.32Å; H123-Y126 PolarHBondContact O-N 2.96Å; H123-L127 WeakPolarHBondContact O-CB 3.5Å; H123-L127 PolarHBondContact O-N 2.83Å; H123-I152 HydrophobicContact CB-CG2 4.21Å; H123-C156 WeakPolarHBondContact CB-SG 3.25Å
124	L	94.7	Very high	93.2	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-45.5	173.3	174	57.3	0	0	0	111.6	F120 L121 Y126 L127 K128 D168 Q171	F120-L124 HydrophobicContact CE1-CD2 4.38Å; F120-L124 WeakPolarHBondContact O-CB 3.26Å; F120-L124 PolarHBondContact O-N 2.99Å; L121-L124 PolarHBondContact O-N 3.31Å; L124-Y126 VanDerWaalsContact C-N 3.29Å; L124-Y126 PolarHBondContact O-N 3.36Å; L124-L127 WeakPolarHBondContact O-CB 3.37Å; L124-L127 PolarHBondContact O-N 3.41Å; L124-K128 WeakPolarHBondContact O-CG 3.41Å; L124-K128 PolarHBondContact O-N 3.24Å; L124-D168 HydrophobicContact CD2-CB 3.73Å; L124-Q171 HydrophobicContact CD1-CB 4.41Å
125	N	95.5	Very high	93.6	Very high	11 Å²	11	28.3 Å²	28.3	6%	0.059	15%	0.146	C	C	.	.	H	α-helix	trans	-66.3	-33.5	175.3	-82.6	-38.6	0	0	0	112	L47 I50 D51 L121 Y122 K128 C129	L47-N125 WeakPolarHBondContact CD1-ND2 3.48Å; I50-N125 HydrophobicContact CG2-CB 3.91Å; D51-N125 PolarHBondContact OD1-ND2 3.06Å; L121-N125 PolarHBondContact O-N 3.08Å; Y122-N125 PolarHBondContact O-N 3.43Å; N125-K128 WeakPolarHBondContact O-CB 3.32Å; N125-K128 PolarHBondContact O-N 2.91Å; N125-C129 PolarHBondContact O-N 3.34Å; N125-C129 PolarHBondContact O-SG 2.98Å
126	Y	97	Very high	94	Very high	15 Å²	15	27.9 Å²	27.9	6%	0.059	14%	0.142	C	C	.	.	H	α-helix	trans	-66.4	-40	172.3	-168.6	-147.6	0	0	0	111.9	K105 C108 R109 Y122 H123 L124 K128 C129 I130 E148 I152	K105-Y126 HydrophobicContact CG-CD2 4.44Å; K105-Y126 HydrophobicContact CG-CE2 4.02Å; C108-Y126 HydrophobicContact CB-CD2 3.96Å; C108-Y126 HydrophobicContact CB-CG 4.25Å; R109-Y126 HydrophobicContact CB-CD2 4.48Å; R109-Y126 HydrophobicContact CB-CE2 3.95Å; Y122-Y126 VanDerWaalsContact O-CB 3.31Å; Y122-Y126 WeakPolarHBondContact O-CB 3.42Å; Y122-Y126 PolarHBondContact O-N 3.46Å; H123-Y126 PolarHBondContact O-N 2.96Å; L124-Y126 VanDerWaalsContact C-N 3.29Å; L124-Y126 PolarHBondContact O-N 3.36Å; Y126-K128 VanDerWaalsContact C-N 3.33Å; Y126-K128 PolarHBondContact O-N 3.49Å; Y126-C129 HydrophobicContact CD2-CB 4.46Å; Y126-C129 CarbonylContact O-C 3.58Å; Y126-C129 WeakPolarHBondContact O-CA 3.16Å; Y126-C129 WeakPolarHBondContact O-CB 3.07Å; Y126-C129 PolarHBondContact O-N 2.96Å; Y126-C129 VanDerWaalsContact O-N 3.11Å; Y126-I130 HydrophobicContact CE2-CG1 4.48Å; Y126-I130 WeakPolarHBondContact O-CG1 3.5Å; Y126-I130 PolarHBondContact O-N 2.89Å; Y126-E148 PolarHBondContact OH-OE2 2.88Å; Y126-E148 VanDerWaalsContact OH-OE2 3.12Å; Y126-I152 HydrophobicContact CD1-CD1 3.33Å; Y126-I152 HydrophobicContact CD1-CG1 3.69Å; Y126-I152 HydrophobicContact CE1-CD1 3.95Å; Y126-I152 HydrophobicContact CE1-CG1 4.17Å; Y126-I152 HydrophobicContact CG-CD1 3.79Å
127	L	97.1	Very high	94.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.3	-41.9	173.5	-178.4	64.3	0	0	0	111.9	H123 L124 C129 I130 Y131 F149 I152 Y172 L175 S176 L179	H123-L127 WeakPolarHBondContact O-CB 3.5Å; H123-L127 PolarHBondContact O-N 2.83Å; L124-L127 WeakPolarHBondContact O-CB 3.37Å; L124-L127 PolarHBondContact O-N 3.41Å; L127-C129 VanDerWaalsContact C-N 3.32Å; L127-C129 PolarHBondContact O-N 3.44Å; L127-I130 PolarHBondContact O-N 2.91Å; L127-Y131 PolarHBondContact O-N 3.22Å; L127-F149 HydrophobicContact CD1-CD2 3.45Å; L127-F149 VanDerWaalsContact CD1-CD2 3.45Å; L127-F149 HydrophobicContact CD1-CE2 3.62Å; L127-I152 HydrophobicContact CB-CD1 4.21Å; L127-I152 HydrophobicContact CB-CG2 4.37Å; L127-Y172 HydrophobicContact CD2-CD2 3.75Å; L127-Y172 HydrophobicContact CD2-CE2 4.29Å; L127-L175 HydrophobicContact CD2-CB 3.9Å; L127-L175 HydrophobicContact CG-CB 4.25Å; L127-S176 WeakPolarHBondContact CD2-OG 3.39Å; L127-L179 HydrophobicContact CD1-CD1 3.59Å; L127-L179 HydrophobicContact CG-CD1 4.44Å
128	K	97.3	Very high	94.8	Very high	20 Å²	20	15.5 Å²	15.5	9%	0.087	8%	0.083	C	C	.	.	H	α-helix	trans	-59.4	-42.7	172.9	-71.2	171.9	-178.3	173.2	0	111.4	M54 L124 N125 Y126 Y131 L132 L175 F376	M54-K128 HydrophobicContact CE-CB 3.84Å; M54-K128 HydrophobicContact SD-CB 4.41Å; L124-K128 WeakPolarHBondContact O-CG 3.41Å; L124-K128 PolarHBondContact O-N 3.24Å; N125-K128 WeakPolarHBondContact O-CB 3.32Å; N125-K128 PolarHBondContact O-N 2.91Å; Y126-K128 VanDerWaalsContact C-N 3.33Å; Y126-K128 PolarHBondContact O-N 3.49Å; K128-Y131 PolarHBondContact O-N 2.93Å; K128-L132 WeakPolarHBondContact O-CG 3.32Å; K128-L132 PolarHBondContact O-N 2.81Å; K128-L175 HydrophobicContact CG-CD1 3.76Å; K128-F376 HydrophobicContact CB-CD1 4.06Å; K128-F376 HydrophobicContact CB-CE1 3.53Å; K128-F376 HydrophobicContact CB-CE2 4.44Å; K128-F376 HydrophobicContact CB-CZ 3.75Å; K128-F376 HydrophobicContact CD-CD1 4.19Å; K128-F376 HydrophobicContact CD-CD2 3.8Å; K128-F376 HydrophobicContact CD-CE1 4.17Å; K128-F376 HydrophobicContact CD-CE2 3.78Å; K128-F376 HydrophobicContact CD-CG 4.01Å; K128-F376 HydrophobicContact CD-CZ 3.97Å; K128-F376 HydrophobicContact CG-CD1 3.67Å; K128-F376 HydrophobicContact CG-CD2 4.23Å; K128-F376 HydrophobicContact CG-CE1 3.67Å; K128-F376 HydrophobicContact CG-CE2 4.22Å; K128-F376 HydrophobicContact CG-CG 3.96Å; K128-F376 HydrophobicContact CG-CZ 3.95Å
129	C	97.7	Very high	94.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.1	-43.5	172.7	-69.8	0	0	0	0	112	M54 F101 K105 N125 Y126 L127 Y131 L132 H133	M54-C129 WeakPolarHBondContact CE-SG 3.22Å; F101-C129 HydrophobicContact CE2-CB 4.22Å; F101-C129 HydrophobicContact CZ-CB 4.34Å; F101-C129 WeakPolarHBondContact CZ-O 3.29Å; K105-C129 HydrophobicContact CB-CB 4.22Å; K105-C129 HydrophobicContact CG-CB 3.97Å; N125-C129 PolarHBondContact O-N 3.34Å; N125-C129 PolarHBondContact O-SG 2.98Å; Y126-C129 HydrophobicContact CD2-CB 4.46Å; Y126-C129 CarbonylContact O-C 3.58Å; Y126-C129 WeakPolarHBondContact O-CA 3.16Å; Y126-C129 WeakPolarHBondContact O-CB 3.07Å; Y126-C129 PolarHBondContact O-N 2.96Å; Y126-C129 VanDerWaalsContact O-N 3.11Å; L127-C129 VanDerWaalsContact C-N 3.32Å; L127-C129 PolarHBondContact O-N 3.44Å; C129-Y131 VanDerWaalsContact C-N 3.34Å; C129-Y131 PolarHBondContact O-N 3.06Å; C129-L132 PolarHBondContact O-N 2.82Å; C129-H133 WeakPolarHBondContact O-CB 3.47Å; C129-H133 PolarHBondContact O-N 3.26Å
130	I	97.8	Very high	94.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.5	-44.3	177.5	-67.6	178.3	0	0	0	111	Y126 L127 H133 Q134 L145 E148 F149 I152 L179	Y126-I130 HydrophobicContact CE2-CG1 4.48Å; Y126-I130 WeakPolarHBondContact O-CG1 3.5Å; Y126-I130 PolarHBondContact O-N 2.89Å; L127-I130 PolarHBondContact O-N 2.91Å; I130-H133 PolarHBondContact O-N 3.46Å; I130-Q134 WeakPolarHBondContact O-CB 3.17Å; I130-Q134 PolarHBondContact O-N 2.85Å; I130-L145 HydrophobicContact CG2-CB 4.32Å; I130-E148 HydrophobicContact CD1-CB 3.58Å; I130-E148 HydrophobicContact CG1-CB 4.41Å; I130-F149 HydrophobicContact CD1-CB 4.36Å; I130-F149 HydrophobicContact CG2-CB 4.36Å; I130-I152 HydrophobicContact CD1-CD1 3.42Å; I130-I152 VanDerWaalsContact CD1-CD1 3.42Å; I130-I152 HydrophobicContact CD1-CG1 4.44Å; I130-I152 HydrophobicContact CG1-CD1 4.42Å; I130-L179 HydrophobicContact CG2-CD1 4.37Å
131	Y	97.6	Very high	95	Very high	5 Å²	5	21.5 Å²	21.5	2%	0.02	11%	0.109	C	C	.	.	H	α-helix	trans	-57.1	-52.4	175.7	165.1	-100.1	0	0	0	111.7	L127 K128 C129 H133 Q134 Y135 L175 Y178 F375 F376 R379	L127-Y131 PolarHBondContact O-N 3.22Å; K128-Y131 PolarHBondContact O-N 2.93Å; C129-Y131 VanDerWaalsContact C-N 3.34Å; C129-Y131 PolarHBondContact O-N 3.06Å; Y131-H133 VanDerWaalsContact C-N 3.31Å; Y131-H133 PolarHBondContact O-N 3.22Å; Y131-Q134 PolarHBondContact O-N 3.13Å; Y131-Y135 WeakPolarHBondContact O-CB 3.45Å; Y131-Y135 PolarHBondContact O-N 3.44Å; Y131-L175 HydrophobicContact CD1-CD2 4.35Å; Y131-L175 HydrophobicContact CD2-CD2 4.23Å; Y131-L175 HydrophobicContact CG-CD2 4.02Å; Y131-Y178 AromaticContact CD2-CD1 3.97Å; Y131-Y178 HydrophobicContact CD2-CD1 3.97Å; Y131-Y178 AromaticContact CD2-CE1 3.85Å; Y131-Y178 HydrophobicContact CD2-CE1 3.85Å; Y131-Y178 AromaticContact CE2-CD1 3.97Å; Y131-Y178 HydrophobicContact CE2-CD1 3.97Å; Y131-Y178 AromaticContact CE2-CE1 3.59Å; Y131-Y178 HydrophobicContact CE2-CE1 3.59Å; Y131-F375 HydrophobicContact CE1-CE1 4.34Å; Y131-F375 HydrophobicContact CE1-CZ 4.35Å; Y131-F376 HydrophobicContact CD1-CD1 4.34Å; Y131-F376 HydrophobicContact CD1-CE1 4.28Å; Y131-R379 HydrophobicContact CE1-CG 4.34Å; Y131-R379 HydrophobicContact CE2-CB 4.44Å; Y131-R379 HydrophobicContact CE2-CG 4.01Å; Y131-R379 WeakPolarHBondContact OH-CB 3.3Å
132	L	97.5	Very high	95.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.5	-40.1	178.6	-73.6	174.4	0	0	0	111.6	M54 F57 V58 F62 F101 K128 C129 Y135 L136 F375 F376	M54-L132 HydrophobicContact SD-CD1 3.46Å; M54-L132 WeakPolarHBondContact SD-CD1 3.36Å; F57-L132 HydrophobicContact CD1-CD1 3.88Å; F57-L132 HydrophobicContact CE1-CB 4.45Å; F57-L132 HydrophobicContact CE1-CD1 4.02Å; F57-L132 HydrophobicContact CE1-CD2 4.26Å; F57-L132 HydrophobicContact CE1-CG 4.49Å; V58-L132 HydrophobicContact CG2-CD1 4.24Å; F62-L132 HydrophobicContact CE2-CD2 3.88Å; F62-L132 HydrophobicContact CZ-CD2 3.78Å; F101-L132 HydrophobicContact CD2-CD1 4.42Å; F101-L132 HydrophobicContact CE2-CB 3.72Å; F101-L132 HydrophobicContact CE2-CD1 3.92Å; F101-L132 HydrophobicContact CZ-CB 3.85Å; K128-L132 WeakPolarHBondContact O-CG 3.32Å; K128-L132 PolarHBondContact O-N 2.81Å; C129-L132 PolarHBondContact O-N 2.82Å; L132-Y135 VanDerWaalsContact O-CB 3.31Å; L132-Y135 WeakPolarHBondContact O-CB 3.2Å; L132-Y135 PolarHBondContact O-N 3.46Å; L132-L136 WeakPolarHBondContact O-CG 3.44Å; L132-L136 PolarHBondContact O-N 2.99Å; L132-F375 HydrophobicContact CD2-CE1 3.87Å; L132-F375 HydrophobicContact CD2-CZ 3.96Å; L132-F376 HydrophobicContact CD1-CE1 4.17Å; L132-F376 HydrophobicContact CD1-CZ 4.05Å; L132-F376 HydrophobicContact CG-CE1 4.18Å
133	H	97.6	Very high	95.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.7	-46.2	179.8	-170.4	-161.3	0	0	0	111.9	L84 C86 F101 K105 C129 I130 Y131 Y135 L136 I137 L145	L84-H133 WeakPolarHBondContact CB-NE2 3.37Å; L84-H133 PolarHBondContact O-CE1 3.38Å; L84-H133 PolarHBondContact O-NE2 3.13Å; C86-H133 PolarHBondContact SG-CE1 3.36Å; F101-H133 HydrophobicContact CE1-CB 4.13Å; F101-H133 HydrophobicContact CZ-CB 4Å; K105-H133 PolarHBondContact NZ-ND1 2.97Å; C129-H133 WeakPolarHBondContact O-CB 3.47Å; C129-H133 PolarHBondContact O-N 3.26Å; I130-H133 PolarHBondContact O-N 3.46Å; Y131-H133 VanDerWaalsContact C-N 3.31Å; Y131-H133 PolarHBondContact O-N 3.22Å; H133-Y135 VanDerWaalsContact C-N 3.26Å; H133-Y135 PolarHBondContact O-N 3.44Å; H133-L136 PolarHBondContact O-N 3.2Å; H133-L136 VanDerWaalsContact O-N 3.15Å; H133-I137 PolarHBondContact O-N 3.06Å; H133-I137 VanDerWaalsContact O-N 3.13Å; H133-L145 HydrophobicContact CB-CD1 4.15Å; H133-L145 WeakPolarHBondContact ND1-CD2 3.48Å
134	Q	97.3	Very high	95.2	Very high	5 Å²	5	23.6 Å²	23.6	2%	0.023	12%	0.12	C	C	.	.	H	α-helix	trans	-62.8	-35.9	173.5	-178.3	56.4	76.7	0	0	111.4	I130 Y131 L136 I137 G138 E140 S142 L145 F182 Y183	I130-Q134 WeakPolarHBondContact O-CB 3.17Å; I130-Q134 PolarHBondContact O-N 2.85Å; Y131-Q134 PolarHBondContact O-N 3.13Å; Q134-L136 VanDerWaalsContact C-N 3.33Å; Q134-L136 PolarHBondContact O-N 3.07Å; Q134-I137 PolarHBondContact O-N 3.32Å; Q134-G138 PolarHBondContact NE2-O 2.81Å; Q134-G138 VanDerWaalsContact NE2-O 3.13Å; Q134-G138 PolarHBondContact O-N 2.86Å; Q134-E140 PolarHBondContact NE2-O 2.73Å; Q134-S142 VanDerWaalsContact OE1-N 3.13Å; Q134-L145 HydrophobicContact CB-CD1 3.99Å; Q134-F182 HydrophobicContact CG-CD1 3.93Å; Q134-F182 HydrophobicContact CG-CE1 3.32Å; Q134-F182 HydrophobicContact CG-CZ 3.75Å; Q134-Y183 PolarHBondContact OE1-OH 2.88Å; Q134-Y183 VanDerWaalsContact OE1-OH 3.07Å
135	Y	96.5	Very high	95.4	Very high	43 Å²	43	23.5 Å²	23.5	17%	0.169	12%	0.12	C	C	.	.	H	α-helix	trans	-62	-39.1	173.6	-172.8	-84.4	0	0	0	112.4	F62 Y131 L132 H133 G138 P381 S382 W384 T385	F62-Y135 AromaticContact CE1-CD1 3.95Å; F62-Y135 HydrophobicContact CE1-CD1 3.95Å; F62-Y135 AromaticContact CE1-CE1 3.53Å; F62-Y135 HydrophobicContact CE1-CE1 3.53Å; F62-Y135 HydrophobicContact CE1-CE2 4.49Å; F62-Y135 AromaticContact CE1-CZ 3.85Å; F62-Y135 AromaticContact CZ-CD1 3.86Å; F62-Y135 HydrophobicContact CZ-CD1 3.86Å; F62-Y135 AromaticContact CZ-CE1 3.85Å; F62-Y135 HydrophobicContact CZ-CE1 3.85Å; Y131-Y135 WeakPolarHBondContact O-CB 3.45Å; Y131-Y135 PolarHBondContact O-N 3.44Å; L132-Y135 VanDerWaalsContact O-CB 3.31Å; L132-Y135 WeakPolarHBondContact O-CB 3.2Å; L132-Y135 PolarHBondContact O-N 3.46Å; H133-Y135 VanDerWaalsContact C-N 3.26Å; H133-Y135 PolarHBondContact O-N 3.44Å; Y135-G138 PolarHBondContact O-N 2.84Å; Y135-P381 WeakPolarHBondContact OH-CA 3.47Å; Y135-S382 PolarHBondContact OH-N 3.47Å; Y135-S382 PolarHBondContact OH-OG 2.95Å; Y135-W384 HydrophobicContact CE1-CZ2 4.1Å; Y135-T385 VanDerWaalsContact OH-CB 3.28Å; Y135-T385 WeakPolarHBondContact OH-CB 3.37Å; Y135-T385 PolarHBondContact OH-OG1 3.31Å
136	L	95.8	Very high	95.4	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.037	12%	0.124	C	C	.	.	H	α-helix	trans	-69.8	-32.6	177.9	-68.2	-179.1	0	0	0	113.3	F57 P91 F92 T95 L98 F101 L132 H133 Q134 W384	F57-L136 HydrophobicContact CZ-CD1 3.97Å; F57-L136 HydrophobicContact CZ-CD2 4.26Å; F57-L136 HydrophobicContact CZ-CG 4.48Å; P91-L136 HydrophobicContact CB-CB 3.77Å; P91-L136 HydrophobicContact CB-CD1 4.06Å; F92-L136 PolarHBondContact N-O 3.41Å; T95-L136 HydrophobicContact CG2-CD1 4.33Å; T95-L136 HydrophobicContact CG2-CD2 3.87Å; T95-L136 VanDerWaalsContact OG1-CD2 3.25Å; T95-L136 WeakPolarHBondContact OG1-CD2 3.21Å; L98-L136 HydrophobicContact CD1-CD1 4.02Å; F101-L136 HydrophobicContact CD1-CD1 4.21Å; F101-L136 HydrophobicContact CE1-CD1 4.14Å; L132-L136 WeakPolarHBondContact O-CG 3.44Å; L132-L136 PolarHBondContact O-N 2.99Å; H133-L136 PolarHBondContact O-N 3.2Å; H133-L136 VanDerWaalsContact O-N 3.15Å; Q134-L136 VanDerWaalsContact C-N 3.33Å; Q134-L136 PolarHBondContact O-N 3.07Å; L136-W384 HydrophobicContact CD2-CH2 4.47Å; L136-W384 HydrophobicContact CD2-CZ2 4.07Å
137	I	93.4	Very high	95.4	Very high	27 Å²	27	26.8 Å²	26.8	14%	0.138	14%	0.141	C	C	.	.	H	α-helix	trans	-71.5	-35.8	173.1	-65.1	163.6	0	0	0	110.2	C86 E89 H133 Q134 L145	C86-I137 HydrophobicContact CB-CD1 3.65Å; E89-I137 HydrophobicContact CB-CG2 4.17Å; H133-I137 PolarHBondContact O-N 3.06Å; H133-I137 VanDerWaalsContact O-N 3.13Å; Q134-I137 PolarHBondContact O-N 3.32Å; I137-L145 HydrophobicContact CD1-CD1 3.58Å
138	G	90.6	Very high	95.4	Very high	29 Å²	29	27.9 Å²	27.9	30%	0.299	15%	0.146	S	C	.	.			trans	101.2	-141.8	177.5	0	0	0	0	0	113	Q134 Y135 E140	Q134-G138 PolarHBondContact NE2-O 2.81Å; Q134-G138 VanDerWaalsContact NE2-O 3.13Å; Q134-G138 PolarHBondContact O-N 2.86Å; Y135-G138 PolarHBondContact O-N 2.84Å; G138-E140 VanDerWaalsContact C-N 3.33Å
139	D	87	Confident	95.4	Very high	114 Å²	114	27 Å²	27	61%	0.61	14%	0.142	S	C	*	.	S	Bend	trans	-79.1	-15.1	-172.9	-70.1	-38.1	0	0	0	113.9	R141	D139-R141 PolarHBondContact O-N 3.4Å; D139-R141 PolarHBondContact O-NH1 3.18Å
140	E	90.3	Very high	95.4	Very high	62 Å²	62	30.2 Å²	30.2	29%	0.29	16%	0.157	S	C	.	.	S	Bend	trans	-74	119.3	174.5	-66.2	-71.9	-175.6	0	0	109.4	Q134 G138 R476	Q134-E140 PolarHBondContact NE2-O 2.73Å; G138-E140 VanDerWaalsContact C-N 3.33Å; E140-R476 IonicContact OE1-CZ 2.76Å; E140-R476 IonicContact OE1-NH1 3.07Å; E140-R476 PolarHBondContact OE1-NH1 3.09Å; E140-R476 IonicContact OE1-NH2 3.5Å; E140-R476 PolarHBondContact OE1-NH2 3.13Å; E140-R476 IonicContact OE2-NH1 3.67Å
141	R	94.2	Very high	95.2	Very high	45 Å²	45	34.7 Å²	34.7	17%	0.17	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-80.8	130	-175.1	-68.2	158.2	-178.3	82.6	-8.2	110	D139 P143 F182 Y183 Y184 N503 L505	D139-R141 PolarHBondContact O-N 3.4Å; D139-R141 PolarHBondContact O-NH1 3.18Å; R141-P143 WeakPolarHBondContact O-CD 3.24Å; R141-F182 HydrophobicContact CB-CE1 4.14Å; R141-F182 WeakPolarHBondContact CD-O 3.5Å; R141-F182 HydrophobicContact CG-CD1 3.98Å; R141-F182 HydrophobicContact CG-CE1 3.41Å; R141-F182 VanDerWaalsContact CG-CE1 3.41Å; R141-F182 HydrophobicContact CG-CZ 3.83Å; R141-F182 PolarHBondContact NE-O 2.67Å; R141-Y183 HydrophobicContact CB-CD1 4.28Å; R141-Y183 HydrophobicContact CB-CE1 4.39Å; R141-Y183 HydrophobicContact CG-CD1 4.44Å; R141-Y184 VanDerWaalsContact NE-CZ 3.26Å; R141-Y184 PolarHBondContact NE-OH 3.45Å; R141-Y184 PolarHBondContact NH1-OH 2.87Å; R141-Y184 PolarHBondContact NH2-OH 3.15Å; R141-N503 PolarHBondContact O-ND2 3.29Å; R141-N503 PolarHBondContact O-OD1 3.36Å; R141-L505 HydrophobicContact CB-CB 3.75Å; R141-L505 HydrophobicContact CB-CD1 3.8Å; R141-L505 HydrophobicContact CB-CG 4.44Å
142	S	94.9	Very high	95.1	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.014	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-93.7	120.3	177.4	172.1	0	0	0	0	112.3	C86 E87 Q134 K144 L145 K146	C86-S142 WeakPolarHBondContact CB-OG 3.37Å; E87-S142 WeakPolarHBondContact OE2-CA 3.41Å; E87-S142 VanDerWaalsContact OE2-CB 3.27Å; E87-S142 WeakPolarHBondContact OE2-CB 3.46Å; E87-S142 PolarHBondContact OE2-OG 2.98Å; Q134-S142 VanDerWaalsContact OE1-N 3.13Å; S142-K144 VanDerWaalsContact C-N 3.34Å; S142-K144 PolarHBondContact OG-N 3.33Å; S142-L145 PolarHBondContact O-N 3.08Å; S142-L145 PolarHBondContact OG-N 3.37Å; S142-K146 WeakPolarHBondContact O-CB 3.41Å; S142-K146 PolarHBondContact O-N 3.16Å
143	P	95.3	Very high	94.9	Very high	30 Å²	30	35.5 Å²	35.5	20%	0.195	19%	0.186	C	C	.	.	H	α-helix	trans	-57	-40.2	166.7	-26.4	32.9	0	0	0	113.9	E87 R141 K146 S147 N503 L505	E87-P143 HydrophobicContact CG-CG 4.46Å; R141-P143 WeakPolarHBondContact O-CD 3.24Å; P143-K146 WeakPolarHBondContact O-CB 3.37Å; P143-K146 PolarHBondContact O-N 3.38Å; P143-S147 PolarHBondContact O-N 3.41Å; P143-N503 WeakPolarHBondContact CD-OD1 3.46Å; P143-N503 HydrophobicContact CG-CB 4.45Å; P143-N503 WeakPolarHBondContact CG-OD1 3.4Å; P143-L505 HydrophobicContact CG-CD1 4.27Å; P143-L505 HydrophobicContact CG-CG 4.34Å
144	K	95	Very high	94.7	Very high	79 Å²	79	40.3 Å²	40.3	34%	0.343	21%	0.211	S	C	.	.	H	α-helix	trans	-57.1	-50.2	175.7	-179.2	-178.1	174.1	-171.2	0	111.5	D83 E87 S142 K146 S147 E148	D83-K144 PolarHBondContact O-NZ 3.02Å; E87-K144 VanDerWaalsContact OE1-CB 3.32Å; E87-K144 WeakPolarHBondContact OE1-CB 3.49Å; E87-K144 PolarHBondContact OE1-N 2.78Å; S142-K144 VanDerWaalsContact C-N 3.34Å; S142-K144 PolarHBondContact OG-N 3.33Å; K144-K146 VanDerWaalsContact C-N 3.34Å; K144-K146 PolarHBondContact O-N 3.13Å; K144-S147 WeakPolarHBondContact O-CB 3.45Å; K144-S147 PolarHBondContact O-N 3.38Å; K144-E148 PolarHBondContact O-N 3.3Å
145	L	97	Very high	94.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69.9	-32	179	-60.8	-175.9	0	0	0	113.2	I130 H133 Q134 I137 S142 S147 E148 F149 Y183	I130-L145 HydrophobicContact CG2-CB 4.32Å; H133-L145 HydrophobicContact CB-CD1 4.15Å; H133-L145 WeakPolarHBondContact ND1-CD2 3.48Å; Q134-L145 HydrophobicContact CB-CD1 3.99Å; I137-L145 HydrophobicContact CD1-CD1 3.58Å; S142-L145 PolarHBondContact O-N 3.08Å; S142-L145 PolarHBondContact OG-N 3.37Å; L145-S147 VanDerWaalsContact C-N 3.34Å; L145-E148 PolarHBondContact O-N 3.32Å; L145-F149 VanDerWaalsContact O-CB 3.28Å; L145-F149 WeakPolarHBondContact O-CB 3.31Å; L145-F149 PolarHBondContact O-N 3.2Å; L145-Y183 VanDerWaalsContact CB-OH 3.26Å; L145-Y183 WeakPolarHBondContact CB-OH 3.27Å
146	K	97.2	Very high	94.2	Very high	35 Å²	35	40.3 Å²	40.3	15%	0.152	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-43.8	170.9	-177.6	178.6	177.1	157.6	0	111.5	S142 P143 K144 F149 Q150 Y183 E185 L505	S142-K146 WeakPolarHBondContact O-CB 3.41Å; S142-K146 PolarHBondContact O-N 3.16Å; P143-K146 WeakPolarHBondContact O-CB 3.37Å; P143-K146 PolarHBondContact O-N 3.38Å; K144-K146 VanDerWaalsContact C-N 3.34Å; K144-K146 PolarHBondContact O-N 3.13Å; K146-F149 WeakPolarHBondContact O-CB 3.24Å; K146-F149 PolarHBondContact O-N 3.18Å; K146-Q150 VanDerWaalsContact CE-NE2 3.31Å; K146-Q150 WeakPolarHBondContact O-CG 3.37Å; K146-Q150 PolarHBondContact O-N 3.04Å; K146-Y183 HydrophobicContact CB-CD1 3.89Å; K146-Y183 HydrophobicContact CB-CD2 4.28Å; K146-Y183 HydrophobicContact CB-CE1 3.98Å; K146-Y183 HydrophobicContact CB-CE2 4.36Å; K146-Y183 HydrophobicContact CB-CG 4.05Å; K146-Y183 HydrophobicContact CD-CD1 4.35Å; K146-Y183 HydrophobicContact CD-CG 4.2Å; K146-Y183 HydrophobicContact CG-CD1 4.22Å; K146-Y183 HydrophobicContact CG-CD2 4.23Å; K146-Y183 HydrophobicContact CG-CG 3.95Å; K146-Y183 PolarHBondContact NZ-O 3.41Å; K146-Y183 VanDerWaalsContact NZ-O 3.09Å; K146-E185 WeakPolarHBondContact CE-OE1 3.3Å; K146-E185 IonicContact NZ-OE1 3.71Å; K146-E185 PolarHBondContact NZ-OE1 3.48Å; K146-L505 HydrophobicContact CB-CD1 4.37Å; K146-L505 HydrophobicContact CD-CD1 3.9Å; K146-L505 HydrophobicContact CD-CD2 4.28Å
147	S	97	Very high	93.8	Very high	60 Å²	60	43.5 Å²	43.5	42%	0.42	23%	0.231	S	C	.	.	H	α-helix	trans	-63.3	-47.8	176.7	-169.2	0	0	0	0	111.4	P143 K144 L145 F149 Q150 D151	P143-S147 PolarHBondContact O-N 3.41Å; K144-S147 WeakPolarHBondContact O-CB 3.45Å; K144-S147 PolarHBondContact O-N 3.38Å; L145-S147 VanDerWaalsContact C-N 3.34Å; S147-F149 PolarHBondContact O-N 3.29Å; S147-Q150 PolarHBondContact O-N 2.66Å; S147-Q150 VanDerWaalsContact O-N 3.16Å; S147-D151 PolarHBondContact O-N 3.01Å
148	E	96.7	Very high	93.4	Very high	23 Å²	23	50.2 Å²	50.2	11%	0.107	26%	0.262	C	S	.	.	H	α-helix	trans	-57	-39.9	175.7	-69.7	175.3	-161.3	0	0	111.1	K105 Y126 I130 K144 L145 I152	K105-E148 WeakPolarHBondContact CE-OE2 3.41Å; K105-E148 IonicContact NZ-OE1 2.81Å; K105-E148 IonicContact NZ-OE2 2.74Å; K105-E148 PolarHBondContact NZ-OE2 3.31Å; Y126-E148 PolarHBondContact OH-OE2 2.88Å; Y126-E148 VanDerWaalsContact OH-OE2 3.12Å; I130-E148 HydrophobicContact CD1-CB 3.58Å; I130-E148 HydrophobicContact CG1-CB 4.41Å; K144-E148 PolarHBondContact O-N 3.3Å; L145-E148 PolarHBondContact O-N 3.32Å; E148-I152 WeakPolarHBondContact O-CG1 3.35Å; E148-I152 PolarHBondContact O-N 3.36Å
149	F	97.5	Very high	93.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.3	-43.6	177	170.7	-123.1	0	0	0	112.7	L127 I130 L145 K146 S147 D151 I152 I153 S176 L179 S180 Y183	L127-F149 HydrophobicContact CD1-CD2 3.45Å; L127-F149 VanDerWaalsContact CD1-CD2 3.45Å; L127-F149 HydrophobicContact CD1-CE2 3.62Å; I130-F149 HydrophobicContact CD1-CB 4.36Å; I130-F149 HydrophobicContact CG2-CB 4.36Å; L145-F149 VanDerWaalsContact O-CB 3.28Å; L145-F149 WeakPolarHBondContact O-CB 3.31Å; L145-F149 PolarHBondContact O-N 3.2Å; K146-F149 WeakPolarHBondContact O-CB 3.24Å; K146-F149 PolarHBondContact O-N 3.18Å; S147-F149 PolarHBondContact O-N 3.29Å; F149-D151 VanDerWaalsContact C-N 3.33Å; F149-D151 PolarHBondContact O-N 3.27Å; F149-I152 PolarHBondContact O-N 3.22Å; F149-I153 HydrophobicContact CD1-CD1 3.94Å; F149-I153 HydrophobicContact CD2-CD1 4.06Å; F149-I153 HydrophobicContact CD2-CG1 4.21Å; F149-I153 HydrophobicContact CE1-CD1 3.39Å; F149-I153 HydrophobicContact CE1-CG1 4.47Å; F149-I153 HydrophobicContact CE2-CD1 3.53Å; F149-I153 HydrophobicContact CE2-CG1 3.74Å; F149-I153 HydrophobicContact CG-CD1 4.26Å; F149-I153 HydrophobicContact CZ-CD1 3.17Å; F149-I153 HydrophobicContact CZ-CG1 3.91Å; F149-I153 WeakPolarHBondContact O-CG1 3.47Å; F149-I153 PolarHBondContact O-N 3.24Å; F149-S176 WeakPolarHBondContact CZ-O 3.5Å; F149-L179 HydrophobicContact CD1-CB 4.31Å; F149-L179 HydrophobicContact CD2-CB 4.29Å; F149-L179 HydrophobicContact CD2-CD1 4.01Å; F149-L179 HydrophobicContact CE1-CB 3.91Å; F149-L179 HydrophobicContact CE2-CB 3.91Å; F149-L179 HydrophobicContact CE2-CD1 4.1Å; F149-L179 HydrophobicContact CG-CB 4.47Å; F149-L179 HydrophobicContact CZ-CB 3.68Å; F149-S180 WeakPolarHBondContact CZ-OG 3.26Å; F149-Y183 HydrophobicContact CB-CE2 4.37Å; F149-Y183 AromaticContact CD1-CD2 3.83Å; F149-Y183 HydrophobicContact CD1-CD2 3.83Å; F149-Y183 HydrophobicContact CD1-CE2 4.11Å; F149-Y183 HydrophobicContact CE1-CD2 4.33Å; F149-Y183 HydrophobicContact CG-CE2 4.43Å
150	Q	96.4	Very high	92.9	Very high	68 Å²	68	46.5 Å²	46.5	32%	0.318	24%	0.237	S	C	.	.	H	α-helix	trans	-63.5	-39.6	177.9	-74.2	176.5	-18.9	0	0	111.9	K146 S147 I152 I153 N154 E185	K146-Q150 VanDerWaalsContact CE-NE2 3.31Å; K146-Q150 WeakPolarHBondContact O-CG 3.37Å; K146-Q150 PolarHBondContact O-N 3.04Å; S147-Q150 PolarHBondContact O-N 2.66Å; S147-Q150 VanDerWaalsContact O-N 3.16Å; Q150-I152 VanDerWaalsContact C-N 3.32Å; Q150-I152 PolarHBondContact O-N 2.91Å; Q150-I153 PolarHBondContact O-N 3.36Å; Q150-N154 VanDerWaalsContact O-CG 3.25Å; Q150-N154 PolarHBondContact O-N 2.9Å; Q150-N154 VanDerWaalsContact O-N 3.08Å; Q150-N154 PolarHBondContact O-ND2 3.45Å; Q150-E185 PolarHBondContact NE2-OE1 3.27Å
151	D	94.9	Very high	92.3	Very high	94 Å²	94	48.5 Å²	48.5	50%	0.503	25%	0.25	S	C	.	.	H	α-helix	trans	-60.8	-43	175.3	-66.7	-25.7	0	0	0	111.2	S147 F149 N154 V155	S147-D151 PolarHBondContact O-N 3.01Å; F149-D151 VanDerWaalsContact C-N 3.33Å; F149-D151 PolarHBondContact O-N 3.27Å; D151-N154 PolarHBondContact O-N 3.49Å; D151-V155 WeakPolarHBondContact O-CG2 3.3Å; D151-V155 PolarHBondContact O-N 3.19Å
152	I	94.8	Very high	91.3	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-46.6	175.7	-68	176.3	0	0	0	111.4	H123 Y126 L127 I130 E148 F149 Q150 N154 V155 C156	H123-I152 HydrophobicContact CB-CG2 4.21Å; Y126-I152 HydrophobicContact CD1-CD1 3.33Å; Y126-I152 HydrophobicContact CD1-CG1 3.69Å; Y126-I152 HydrophobicContact CE1-CD1 3.95Å; Y126-I152 HydrophobicContact CE1-CG1 4.17Å; Y126-I152 HydrophobicContact CG-CD1 3.79Å; L127-I152 HydrophobicContact CB-CD1 4.21Å; L127-I152 HydrophobicContact CB-CG2 4.37Å; I130-I152 HydrophobicContact CD1-CD1 3.42Å; I130-I152 VanDerWaalsContact CD1-CD1 3.42Å; I130-I152 HydrophobicContact CD1-CG1 4.44Å; I130-I152 HydrophobicContact CG1-CD1 4.42Å; E148-I152 WeakPolarHBondContact O-CG1 3.35Å; E148-I152 PolarHBondContact O-N 3.36Å; F149-I152 PolarHBondContact O-N 3.22Å; Q150-I152 VanDerWaalsContact C-N 3.32Å; Q150-I152 PolarHBondContact O-N 2.91Å; I152-N154 VanDerWaalsContact C-N 3.3Å; I152-N154 PolarHBondContact O-N 2.96Å; I152-V155 PolarHBondContact O-N 3.5Å; I152-C156 VanDerWaalsContact O-CB 3.3Å; I152-C156 WeakPolarHBondContact O-CB 3.42Å; I152-C156 PolarHBondContact O-N 3.2Å
153	I	94.3	Very high	90.4	Very high	20 Å²	20	57.7 Å²	57.7	10%	0.103	32%	0.317	C	S	.	.	H	α-helix	trans	-56.4	-49.2	179.9	-71.9	164.5	0	0	0	110.1	F149 Q150 V155 C156 E157 F192	F149-I153 HydrophobicContact CD1-CD1 3.94Å; F149-I153 HydrophobicContact CD2-CD1 4.06Å; F149-I153 HydrophobicContact CD2-CG1 4.21Å; F149-I153 HydrophobicContact CE1-CD1 3.39Å; F149-I153 HydrophobicContact CE1-CG1 4.47Å; F149-I153 HydrophobicContact CE2-CD1 3.53Å; F149-I153 HydrophobicContact CE2-CG1 3.74Å; F149-I153 HydrophobicContact CG-CD1 4.26Å; F149-I153 HydrophobicContact CZ-CD1 3.17Å; F149-I153 HydrophobicContact CZ-CG1 3.91Å; F149-I153 WeakPolarHBondContact O-CG1 3.47Å; F149-I153 PolarHBondContact O-N 3.24Å; Q150-I153 PolarHBondContact O-N 3.36Å; I153-V155 VanDerWaalsContact C-N 3.3Å; I153-V155 PolarHBondContact O-N 3.15Å; I153-C156 PolarHBondContact O-N 3.46Å; I153-E157 HydrophobicContact CG2-CG 4.19Å; I153-E157 WeakPolarHBondContact O-CG 3.49Å; I153-E157 PolarHBondContact O-N 3.34Å; I153-F192 HydrophobicContact CD1-CE2 4.23Å; I153-F192 HydrophobicContact CD1-CZ 4.25Å; I153-F192 HydrophobicContact CG1-CZ 4.15Å; I153-F192 HydrophobicContact CG2-CZ 3.89Å
154	N	92.8	Very high	89.8	Confident	101 Å²	101	58.6 Å²	58.6	54%	0.54	32%	0.318	S	S	.	.	H	α-helix	trans	-57.5	-44.3	-177.2	-66.8	-28.6	0	0	0	111.5	Q150 D151 I152	Q150-N154 VanDerWaalsContact O-CG 3.25Å; Q150-N154 PolarHBondContact O-N 2.9Å; Q150-N154 VanDerWaalsContact O-N 3.08Å; Q150-N154 PolarHBondContact O-ND2 3.45Å; D151-N154 PolarHBondContact O-N 3.49Å; I152-N154 VanDerWaalsContact C-N 3.3Å; I152-N154 PolarHBondContact O-N 2.96Å
155	V	91.8	Very high	89.3	Confident	49 Å²	49	58.4 Å²	58.4	30%	0.297	32%	0.323	S	S	.	.	H	α-helix	trans	-73.5	-42.7	179.7	180	0	0	0	0	112.2	D151 I152 I153 E157 E158 C159	D151-V155 WeakPolarHBondContact O-CG2 3.3Å; D151-V155 PolarHBondContact O-N 3.19Å; I152-V155 PolarHBondContact O-N 3.5Å; I153-V155 VanDerWaalsContact C-N 3.3Å; I153-V155 PolarHBondContact O-N 3.15Å; V155-E157 VanDerWaalsContact C-N 3.31Å; V155-E157 PolarHBondContact O-N 2.96Å; V155-E158 PolarHBondContact O-N 3.44Å; V155-C159 PolarHBondContact O-N 3.36Å; V155-C159 VanDerWaalsContact O-N 3.1Å; V155-C159 PolarHBondContact O-SG 3Å
156	C	90.6	Very high	88.8	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-64.2	-35.2	-179.5	-82.3	0	0	0	0	112.7	H123 I152 I153 E158 C159 L160 Y172	H123-C156 WeakPolarHBondContact CB-SG 3.25Å; I152-C156 VanDerWaalsContact O-CB 3.3Å; I152-C156 WeakPolarHBondContact O-CB 3.42Å; I152-C156 PolarHBondContact O-N 3.2Å; I153-C156 PolarHBondContact O-N 3.46Å; C156-E158 VanDerWaalsContact C-N 3.27Å; C156-E158 PolarHBondContact O-N 3.33Å; C156-C159 PolarHBondContact O-N 2.99Å; C156-L160 WeakPolarHBondContact O-CB 3.18Å; C156-L160 PolarHBondContact O-N 3.41Å; C156-L160 VanDerWaalsContact O-N 3.13Å; C156-Y172 HydrophobicContact CB-CD2 4.39Å; C156-Y172 HydrophobicContact CB-CE1 4.43Å; C156-Y172 HydrophobicContact CB-CE2 3.55Å; C156-Y172 WeakPolarHBondContact CB-OH 3.21Å
157	E	87.7	Confident	88.4	Confident	74 Å²	74	65.2 Å²	65.2	35%	0.346	36%	0.362	S	S	.	.	H	α-helix	trans	-67.1	-28.7	176.4	-70.5	-57.2	133.2	0	0	112.9	I153 V155 Y172 F192 R195	I153-E157 HydrophobicContact CG2-CG 4.19Å; I153-E157 WeakPolarHBondContact O-CG 3.49Å; I153-E157 PolarHBondContact O-N 3.34Å; V155-E157 VanDerWaalsContact C-N 3.31Å; V155-E157 PolarHBondContact O-N 2.96Å; E157-Y172 PolarHBondContact OE1-OH 2.91Å; E157-F192 WeakPolarHBondContact OE1-CE1 2.99Å; E157-R195 IonicContact OE1-CZ 3.36Å; E157-R195 IonicContact OE1-NH1 2.75Å; E157-R195 PolarHBondContact OE1-NH1 2.97Å; E157-R195 IonicContact OE1-NH2 2.93Å; E157-R195 PolarHBondContact OE1-NH2 3.18Å; E157-R195 IonicContact OE2-CZ 3.74Å; E157-R195 VanDerWaalsContact OE2-CZ 3.3Å; E157-R195 IonicContact OE2-NH1 3.63Å; E157-R195 PolarHBondContact OE2-NH1 2.87Å; E157-R195 IonicContact OE2-NH2 2.82Å; E157-R195 PolarHBondContact OE2-NH2 3.45Å; E157-R195 VanDerWaalsContact OE2-NH2 3.13Å
158	E	86	Confident	88.1	Confident	167 Å²	167	64 Å²	64	78%	0.78	35%	0.351	S	S	*	.	H	α-helix	trans	-78.3	-30.9	173.3	-66.3	-179.6	175.2	0	0	112.7	V155 C156	V155-E158 PolarHBondContact O-N 3.44Å; C156-E158 VanDerWaalsContact C-N 3.27Å; C156-E158 PolarHBondContact O-N 3.33Å
159	C	83.8	Confident	87.9	Confident	33 Å²	33	63.1 Å²	63.1	22%	0.223	35%	0.347	C	S	.	.	H	α-helix	trans	-90.5	-10	-174.3	-63	0	0	0	0	114.6	V155 C156 D161 H164	V155-C159 PolarHBondContact O-N 3.36Å; V155-C159 VanDerWaalsContact O-N 3.1Å; V155-C159 PolarHBondContact O-SG 3Å; C156-C159 PolarHBondContact O-N 2.99Å; C159-D161 PolarHBondContact O-N 3.49Å; C159-H164 PolarHBondContact O-NE2 3.44Å
160	L	82.3	Confident	87.8	Confident	32 Å²	32	63.5 Å²	63.5	17%	0.168	35%	0.349	C	S	.	.			trans	-72.2	99.6	-170.3	-171	74.9	0	0	0	112.1	F120 C156 V169	F120-L160 HydrophobicContact CD2-CD1 4.41Å; F120-L160 HydrophobicContact CE2-CD1 3.78Å; F120-L160 HydrophobicContact CZ-CD1 4.08Å; C156-L160 WeakPolarHBondContact O-CB 3.18Å; C156-L160 PolarHBondContact O-N 3.41Å; C156-L160 VanDerWaalsContact O-N 3.13Å; L160-V169 HydrophobicContact CD1-CG1 4.06Å; L160-V169 HydrophobicContact CD1-CG2 3.83Å
161	D	77.7	Confident	87.7	Confident	104 Å²	104	60.7 Å²	60.7	56%	0.556	34%	0.336	S	S	*	.			trans	-111.1	167.5	179.3	-74.4	-28.3	0	0	0	113.7	C159 T163 H164	C159-D161 PolarHBondContact O-N 3.49Å; D161-T163 PolarHBondContact O-N 2.85Å; D161-T163 VanDerWaalsContact O-N 3.09Å; D161-H164 PolarHBondContact O-CD2 3.08Å
162	S	74.3	Confident	87.7	Confident	128 Å²	128	56.2 Å²	56.2	90%	0.895	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	1.1	175.5	66.4	0	0	0	0	114.7
163	T	76.4	Confident	87.8	Confident	113 Å²	113	56.1 Å²	56.1	69%	0.693	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-18.2	-179.5	54.6	0	0	0	0	112.9	D161	D161-T163 PolarHBondContact O-N 2.85Å; D161-T163 VanDerWaalsContact O-N 3.09Å
164	H	81.9	Confident	87.9	Confident	48 Å²	48	55.2 Å²	55.2	22%	0.222	31%	0.307	C	S	.	.	S	Bend	trans	-79.6	152.5	-177.6	-59.7	-50.5	0	0	0	112.6	F120 C159 D161 V169	F120-H164 VanDerWaalsContact CB-CE1 3.47Å; F120-H164 WeakPolarHBondContact CB-CE1 3.49Å; F120-H164 HydrophobicContact CD1-CB 4.31Å; F120-H164 AromaticContact CD1-CD2 3.85Å; F120-H164 AromaticContact CD1-CE1 3.82Å; F120-H164 AromaticContact CD1-CG 3.65Å; F120-H164 AromaticContact CD1-ND1 3.63Å; F120-H164 AromaticContact CD1-NE2 3.94Å; F120-H164 HydrophobicContact CE1-CB 4.26Å; F120-H164 AromaticContact CG-CD2 3.92Å; F120-H164 AromaticContact CG-CE1 3.84Å; F120-H164 AromaticContact CG-NE2 3.69Å; C159-H164 PolarHBondContact O-NE2 3.44Å; D161-H164 PolarHBondContact O-CD2 3.08Å; H164-V169 HydrophobicContact CB-CG2 3.87Å
165	T	84.4	Confident	88.1	Confident	75 Å²	75	50.4 Å²	50.4	46%	0.46	28%	0.281	S	S	.	.			trans	-67.2	143	175.7	80.2	0	0	0	0	109.7	E167 D168 V169	T165-E167 PolarHBondContact O-N 3.21Å; T165-D168 PolarHBondContact O-N 3.37Å; T165-D168 WeakPolarHBondContact OG1-CB 3.42Å; T165-D168 PolarHBondContact OG1-N 3.18Å; T165-D168 VanDerWaalsContact OG1-N 3.14Å; T165-D168 PolarHBondContact OG1-OD2 3.45Å; T165-V169 WeakPolarHBondContact O-CG2 3.46Å; T165-V169 PolarHBondContact O-N 3.14Å
166	T	86.3	Confident	88.4	Confident	88 Å²	88	48 Å²	48	54%	0.54	27%	0.267	S	S	.	.	H	α-helix	trans	-59.2	-32.6	178.1	-50.4	0	0	0	0	111.7	I170	T166-I170 HydrophobicContact CG2-CD1 3.9Å; T166-I170 WeakPolarHBondContact O-CD1 3.41Å; T166-I170 WeakPolarHBondContact O-CG1 3.25Å; T166-I170 PolarHBondContact O-N 3.32Å
167	E	88.4	Confident	88.8	Confident	91 Å²	91	48 Å²	48	43%	0.425	27%	0.267	S	S	.	.	H	α-helix	trans	-67.9	-45.1	178.8	-171.2	175.1	176.4	0	0	112.5	T165 V169 I170 Q171	T165-E167 PolarHBondContact O-N 3.21Å; E167-V169 VanDerWaalsContact C-N 3.31Å; E167-V169 PolarHBondContact O-N 3.12Å; E167-I170 PolarHBondContact O-N 3.1Å; E167-Q171 WeakPolarHBondContact O-CG 3.33Å; E167-Q171 PolarHBondContact O-N 2.91Å
168	D	91.5	Very high	89.2	Confident	35 Å²	35	45.8 Å²	45.8	19%	0.187	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-40.7	178.2	-66.7	-41.4	0	0	0	111.5	F120 L124 T165 Q171 Y172	F120-D168 HydrophobicContact CE1-CB 4.04Å; L124-D168 HydrophobicContact CD2-CB 3.73Å; T165-D168 PolarHBondContact O-N 3.37Å; T165-D168 WeakPolarHBondContact OG1-CB 3.42Å; T165-D168 PolarHBondContact OG1-N 3.18Å; T165-D168 VanDerWaalsContact OG1-N 3.14Å; T165-D168 PolarHBondContact OG1-OD2 3.45Å; D168-Q171 PolarHBondContact O-N 3.32Å; D168-Y172 WeakPolarHBondContact O-CB 3.42Å; D168-Y172 PolarHBondContact O-N 2.82Å
169	V	93.4	Very high	89.7	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.024	22%	0.218	C	C	.	.	H	α-helix	trans	-64.9	-42.2	176.6	178.3	0	0	0	0	111	F120 L160 H164 T165 E167 Y172 L173 Y199	F120-V169 HydrophobicContact CE1-CG2 4.49Å; F120-V169 HydrophobicContact CZ-CG2 4.3Å; L160-V169 HydrophobicContact CD1-CG1 4.06Å; L160-V169 HydrophobicContact CD1-CG2 3.83Å; H164-V169 HydrophobicContact CB-CG2 3.87Å; T165-V169 WeakPolarHBondContact O-CG2 3.46Å; T165-V169 PolarHBondContact O-N 3.14Å; E167-V169 VanDerWaalsContact C-N 3.31Å; E167-V169 PolarHBondContact O-N 3.12Å; V169-Y172 PolarHBondContact O-N 3.34Å; V169-L173 HydrophobicContact CG1-CD1 3.94Å; V169-L173 HydrophobicContact CG1-CG 4.34Å; V169-L173 WeakPolarHBondContact O-CB 3.41Å; V169-L173 VanDerWaalsContact O-CG 3.24Å; V169-L173 WeakPolarHBondContact O-CG 3.15Å; V169-L173 PolarHBondContact O-N 3.08Å; V169-Y199 HydrophobicContact CG1-CD1 4.22Å; V169-Y199 HydrophobicContact CG1-CD2 4.36Å; V169-Y199 HydrophobicContact CG1-CE1 3.81Å; V169-Y199 HydrophobicContact CG1-CE2 3.99Å; V169-Y199 HydrophobicContact CG1-CG 4.48Å
170	I	94.2	Very high	90.4	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.036	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-45	175.3	-71	162.7	0	0	0	110.6	T166 E167 Y172 L173 M174 L200 T274 L377	T166-I170 HydrophobicContact CG2-CD1 3.9Å; T166-I170 WeakPolarHBondContact O-CD1 3.41Å; T166-I170 WeakPolarHBondContact O-CG1 3.25Å; T166-I170 PolarHBondContact O-N 3.32Å; E167-I170 PolarHBondContact O-N 3.1Å; I170-Y172 PolarHBondContact O-N 3.24Å; I170-L173 PolarHBondContact O-N 3.05Å; I170-M174 HydrophobicContact CG2-CG 4.16Å; I170-M174 HydrophobicContact CG2-SD 3.76Å; I170-M174 WeakPolarHBondContact O-CB 3.46Å; I170-M174 VanDerWaalsContact O-CG 3.27Å; I170-M174 WeakPolarHBondContact O-CG 3.32Å; I170-M174 PolarHBondContact O-N 3.4Å; I170-L200 HydrophobicContact CD1-CD2 3.62Å; I170-L200 HydrophobicContact CD1-CG 4.37Å; I170-L200 HydrophobicContact CG1-CD2 4.36Å; I170-T274 HydrophobicContact CD1-CG2 4.39Å; I170-T274 HydrophobicContact CG2-CG2 4.41Å; I170-L377 HydrophobicContact CG2-CD2 4.03Å
171	Q	94.7	Very high	91	Very high	10 Å²	10	34.8 Å²	34.8	5%	0.047	20%	0.2	C	C	.	.	H	α-helix	trans	-59.2	-46.2	176.9	-72.5	-178.3	21.9	0	0	111.7	L124 E167 D168 M174 L175 L377	L124-Q171 HydrophobicContact CD1-CB 4.41Å; E167-Q171 WeakPolarHBondContact O-CG 3.33Å; E167-Q171 PolarHBondContact O-N 2.91Å; D168-Q171 PolarHBondContact O-N 3.32Å; Q171-M174 PolarHBondContact O-N 3.36Å; Q171-L175 WeakPolarHBondContact O-CB 3.46Å; Q171-L175 WeakPolarHBondContact O-CG 3.35Å; Q171-L175 PolarHBondContact O-N 2.79Å; Q171-L377 HydrophobicContact CG-CD2 3.58Å; Q171-L377 HydrophobicContact CG-CG 4.13Å
172	Y	95.4	Very high	91.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-55.2	-54.8	174	166.9	-109.4	0	0	0	111.2	F120 L127 C156 E157 D168 V169 I170 M174 L175 S176 F192	F120-Y172 HydrophobicContact CE2-CD1 4.33Å; F120-Y172 HydrophobicContact CE2-CG 4.15Å; F120-Y172 HydrophobicContact CZ-CG 4.28Å; L127-Y172 HydrophobicContact CD2-CD2 3.75Å; L127-Y172 HydrophobicContact CD2-CE2 4.29Å; C156-Y172 HydrophobicContact CB-CD2 4.39Å; C156-Y172 HydrophobicContact CB-CE1 4.43Å; C156-Y172 HydrophobicContact CB-CE2 3.55Å; C156-Y172 WeakPolarHBondContact CB-OH 3.21Å; E157-Y172 PolarHBondContact OE1-OH 2.91Å; D168-Y172 WeakPolarHBondContact O-CB 3.42Å; D168-Y172 PolarHBondContact O-N 2.82Å; V169-Y172 PolarHBondContact O-N 3.34Å; I170-Y172 PolarHBondContact O-N 3.24Å; Y172-M174 VanDerWaalsContact C-N 3.34Å; Y172-M174 PolarHBondContact O-N 3.07Å; Y172-L175 PolarHBondContact O-N 3.05Å; Y172-S176 VanDerWaalsContact CE2-OG 3.31Å; Y172-S176 WeakPolarHBondContact CE2-OG 3.44Å; Y172-S176 VanDerWaalsContact O-CB 3.25Å; Y172-S176 WeakPolarHBondContact O-CB 3.19Å; Y172-S176 PolarHBondContact O-N 2.99Å; Y172-S176 PolarHBondContact O-OG 3.43Å; Y172-F192 HydrophobicContact CE1-CE1 4.4Å
173	L	96.6	Very high	92.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.3	-40.5	-176.3	-68	172.3	0	0	0	112.2	V169 I170 S177 F192 R195 C196 Y199	V169-L173 HydrophobicContact CG1-CD1 3.94Å; V169-L173 HydrophobicContact CG1-CG 4.34Å; V169-L173 WeakPolarHBondContact O-CB 3.41Å; V169-L173 VanDerWaalsContact O-CG 3.24Å; V169-L173 WeakPolarHBondContact O-CG 3.15Å; V169-L173 PolarHBondContact O-N 3.08Å; I170-L173 PolarHBondContact O-N 3.05Å; L173-S177 WeakPolarHBondContact O-CB 3.28Å; L173-S177 PolarHBondContact O-N 3.17Å; L173-F192 HydrophobicContact CD2-CD1 3.88Å; L173-R195 HydrophobicContact CD1-CB 4.14Å; L173-R195 HydrophobicContact CD2-CB 4.07Å; L173-C196 HydrophobicContact CB-CB 4.01Å; L173-C196 HydrophobicContact CD1-CB 4.31Å; L173-Y199 HydrophobicContact CD1-CD2 3.61Å; L173-Y199 HydrophobicContact CD1-CE2 3.95Å; L173-Y199 HydrophobicContact CD1-CG 4.38Å
174	M	97	Very high	93.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.1	-45.9	179.5	-72.3	-173.2	68.2	0	0	112.5	I170 Q171 Y172 S177 Y178 S277 L281 L377	I170-M174 HydrophobicContact CG2-CG 4.16Å; I170-M174 HydrophobicContact CG2-SD 3.76Å; I170-M174 WeakPolarHBondContact O-CB 3.46Å; I170-M174 VanDerWaalsContact O-CG 3.27Å; I170-M174 WeakPolarHBondContact O-CG 3.32Å; I170-M174 PolarHBondContact O-N 3.4Å; Q171-M174 PolarHBondContact O-N 3.36Å; Y172-M174 VanDerWaalsContact C-N 3.34Å; Y172-M174 PolarHBondContact O-N 3.07Å; M174-S177 PolarHBondContact O-N 2.99Å; M174-Y178 PolarHBondContact O-N 3.49Å; M174-S277 VanDerWaalsContact CE-O 3.25Å; M174-S277 WeakPolarHBondContact CE-O 3.41Å; M174-L281 HydrophobicContact CB-CD2 3.96Å; M174-L281 HydrophobicContact CE-CB 3.91Å; M174-L281 HydrophobicContact CE-CD2 4.13Å; M174-L281 HydrophobicContact CG-CD2 3.87Å; M174-L377 WeakPolarHBondContact CE-O 3.39Å; M174-L377 HydrophobicContact SD-CD2 3.95Å
175	L	97.2	Very high	94.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.8	-44.4	177.5	-72	174.1	0	0	0	111.3	L127 K128 Y131 Q171 Y172 S177 Y178 L179 F376 R379	L127-L175 HydrophobicContact CD2-CB 3.9Å; L127-L175 HydrophobicContact CG-CB 4.25Å; K128-L175 HydrophobicContact CG-CD1 3.76Å; Y131-L175 HydrophobicContact CD1-CD2 4.35Å; Y131-L175 HydrophobicContact CD2-CD2 4.23Å; Y131-L175 HydrophobicContact CG-CD2 4.02Å; Q171-L175 WeakPolarHBondContact O-CB 3.46Å; Q171-L175 WeakPolarHBondContact O-CG 3.35Å; Q171-L175 PolarHBondContact O-N 2.79Å; Y172-L175 PolarHBondContact O-N 3.05Å; L175-S177 PolarHBondContact O-N 2.93Å; L175-Y178 PolarHBondContact O-N 3.08Å; L175-L179 WeakPolarHBondContact O-CB 3.22Å; L175-L179 WeakPolarHBondContact O-CG 3.32Å; L175-L179 PolarHBondContact O-N 2.64Å; L175-F376 HydrophobicContact CD1-CB 4.42Å; L175-F376 HydrophobicContact CD1-CD1 4.27Å; L175-R379 HydrophobicContact CD2-CG 4.26Å
176	S	97.7	Very high	94.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63	-41.1	176.9	-66	0	0	0	0	111.8	L127 F149 Y172 Y178 S180	L127-S176 WeakPolarHBondContact CD2-OG 3.39Å; F149-S176 WeakPolarHBondContact CZ-O 3.5Å; Y172-S176 VanDerWaalsContact CE2-OG 3.31Å; Y172-S176 WeakPolarHBondContact CE2-OG 3.44Å; Y172-S176 VanDerWaalsContact O-CB 3.25Å; Y172-S176 WeakPolarHBondContact O-CB 3.19Å; Y172-S176 PolarHBondContact O-N 2.99Å; Y172-S176 PolarHBondContact O-OG 3.43Å; S176-Y178 PolarHBondContact O-N 2.7Å; S176-S180 VanDerWaalsContact O-CB 3.25Å; S176-S180 WeakPolarHBondContact O-CB 3.06Å; S176-S180 PolarHBondContact O-N 2.85Å; S176-S180 PolarHBondContact O-OG 2.74Å
177	S	97.5	Very high	94.9	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.2	-45.6	175	-176.9	0	0	0	0	111.8	L173 M174 L175 A181 S189 L285	L173-S177 WeakPolarHBondContact O-CB 3.28Å; L173-S177 PolarHBondContact O-N 3.17Å; M174-S177 PolarHBondContact O-N 2.99Å; L175-S177 PolarHBondContact O-N 2.93Å; S177-A181 PolarHBondContact O-N 3.26Å; S177-S189 WeakPolarHBondContact O-CB 3.27Å; S177-S189 PolarHBondContact O-OG 2.97Å; S177-S189 PolarHBondContact OG-O 3.5Å; S177-S189 PolarHBondContact OG-OG 3.44Å; S177-L285 WeakPolarHBondContact OG-CD1 3.32Å
178	Y	97.1	Very high	95.2	Very high	26 Å²	26	20.1 Å²	20.1	10%	0.102	10%	0.097	C	C	.	.	H	α-helix	trans	-63.8	-50.7	177.8	172.9	-106	0	0	0	112.7	Y131 M174 L175 S176 S180 A181 F182 E284	Y131-Y178 AromaticContact CD2-CD1 3.97Å; Y131-Y178 HydrophobicContact CD2-CD1 3.97Å; Y131-Y178 AromaticContact CD2-CE1 3.85Å; Y131-Y178 HydrophobicContact CD2-CE1 3.85Å; Y131-Y178 AromaticContact CE2-CD1 3.97Å; Y131-Y178 HydrophobicContact CE2-CD1 3.97Å; Y131-Y178 AromaticContact CE2-CE1 3.59Å; Y131-Y178 HydrophobicContact CE2-CE1 3.59Å; M174-Y178 PolarHBondContact O-N 3.49Å; L175-Y178 PolarHBondContact O-N 3.08Å; S176-Y178 PolarHBondContact O-N 2.7Å; Y178-S180 VanDerWaalsContact C-N 3.33Å; Y178-S180 PolarHBondContact O-N 2.93Å; Y178-A181 PolarHBondContact O-N 3.38Å; Y178-F182 WeakPolarHBondContact O-CB 3.49Å; Y178-F182 PolarHBondContact O-N 2.92Å; Y178-E284 HydrophobicContact CD2-CG 4.02Å; Y178-E284 HydrophobicContact CE2-CG 3.85Å
179	L	97.1	Very high	95.4	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-64.8	-37.5	-178.4	-75.3	172.5	0	0	0	111.8	L127 I130 F149 L175 A181 F182 Y183	L127-L179 HydrophobicContact CD1-CD1 3.59Å; L127-L179 HydrophobicContact CG-CD1 4.44Å; I130-L179 HydrophobicContact CG2-CD1 4.37Å; F149-L179 HydrophobicContact CD1-CB 4.31Å; F149-L179 HydrophobicContact CD2-CB 4.29Å; F149-L179 HydrophobicContact CD2-CD1 4.01Å; F149-L179 HydrophobicContact CE1-CB 3.91Å; F149-L179 HydrophobicContact CE2-CB 3.91Å; F149-L179 HydrophobicContact CE2-CD1 4.1Å; F149-L179 HydrophobicContact CG-CB 4.47Å; F149-L179 HydrophobicContact CZ-CB 3.68Å; L175-L179 WeakPolarHBondContact O-CB 3.22Å; L175-L179 WeakPolarHBondContact O-CG 3.32Å; L175-L179 PolarHBondContact O-N 2.64Å; L179-A181 PolarHBondContact O-N 3.24Å; L179-F182 WeakPolarHBondContact O-CB 3.34Å; L179-F182 PolarHBondContact O-N 2.86Å; L179-F182 VanDerWaalsContact O-N 3.15Å; L179-Y183 HydrophobicContact CB-CD2 4.41Å; L179-Y183 HydrophobicContact CB-CE2 4.36Å; L179-Y183 HydrophobicContact CD2-CE2 4.12Å; L179-Y183 WeakPolarHBondContact O-CD2 3.34Å; L179-Y183 PolarHBondContact O-N 2.69Å
180	S	96.7	Very high	95.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-58.7	-47.8	173.3	-57.6	0	0	0	0	111	F149 S176 Y178 F182 Y183 Y184 E185	F149-S180 WeakPolarHBondContact CZ-OG 3.26Å; S176-S180 VanDerWaalsContact O-CB 3.25Å; S176-S180 WeakPolarHBondContact O-CB 3.06Å; S176-S180 PolarHBondContact O-N 2.85Å; S176-S180 PolarHBondContact O-OG 2.74Å; Y178-S180 VanDerWaalsContact C-N 3.33Å; Y178-S180 PolarHBondContact O-N 2.93Å; S180-F182 VanDerWaalsContact C-N 3.31Å; S180-F182 PolarHBondContact O-N 2.68Å; S180-Y183 CarbonylContact O-C 3.52Å; S180-Y183 PolarHBondContact O-N 3.06Å; S180-Y184 PolarHBondContact O-N 2.95Å; S180-E185 WeakPolarHBondContact CB-O 3.39Å; S180-E185 CarbonylContact O-C 3.52Å; S180-E185 WeakPolarHBondContact O-CA 3.47Å; S180-E185 PolarHBondContact O-N 2.96Å
181	A	94.9	Very high	95.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.4	-34.7	175.4	0	0	0	0	0	112.6	S177 Y178 L179 Y183 Y184 S189 L285	S177-A181 PolarHBondContact O-N 3.26Å; Y178-A181 PolarHBondContact O-N 3.38Å; L179-A181 PolarHBondContact O-N 3.24Å; A181-Y183 VanDerWaalsContact C-N 3.34Å; A181-Y184 PolarHBondContact O-N 3.46Å; A181-S189 WeakPolarHBondContact CB-OG 3.26Å; A181-L285 HydrophobicContact CB-CD2 3.63Å
182	F	95	Very high	95.8	Very high	7 Å²	7	28.9 Å²	28.9	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-62.4	-41.9	175.3	-175.4	-91.9	0	0	0	111.3	Q134 R141 Y178 L179 S180 Y184	Q134-F182 HydrophobicContact CG-CD1 3.93Å; Q134-F182 HydrophobicContact CG-CE1 3.32Å; Q134-F182 HydrophobicContact CG-CZ 3.75Å; R141-F182 HydrophobicContact CB-CE1 4.14Å; R141-F182 WeakPolarHBondContact CD-O 3.5Å; R141-F182 HydrophobicContact CG-CD1 3.98Å; R141-F182 HydrophobicContact CG-CE1 3.41Å; R141-F182 VanDerWaalsContact CG-CE1 3.41Å; R141-F182 HydrophobicContact CG-CZ 3.83Å; R141-F182 PolarHBondContact NE-O 2.67Å; Y178-F182 WeakPolarHBondContact O-CB 3.49Å; Y178-F182 PolarHBondContact O-N 2.92Å; L179-F182 WeakPolarHBondContact O-CB 3.34Å; L179-F182 PolarHBondContact O-N 2.86Å; L179-F182 VanDerWaalsContact O-N 3.15Å; S180-F182 VanDerWaalsContact C-N 3.31Å; S180-F182 PolarHBondContact O-N 2.68Å; F182-Y184 VanDerWaalsContact C-N 3.33Å; F182-Y184 PolarHBondContact O-N 3.46Å
183	Y	95.7	Very high	95.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	20.7	-179.6	-65.6	-55.3	0	0	0	115.4	Q134 R141 L145 K146 F149 L179 S180 A181 E185 L505	Q134-Y183 PolarHBondContact OE1-OH 2.88Å; Q134-Y183 VanDerWaalsContact OE1-OH 3.07Å; R141-Y183 HydrophobicContact CB-CD1 4.28Å; R141-Y183 HydrophobicContact CB-CE1 4.39Å; R141-Y183 HydrophobicContact CG-CD1 4.44Å; L145-Y183 VanDerWaalsContact CB-OH 3.26Å; L145-Y183 WeakPolarHBondContact CB-OH 3.27Å; K146-Y183 HydrophobicContact CB-CD1 3.89Å; K146-Y183 HydrophobicContact CB-CD2 4.28Å; K146-Y183 HydrophobicContact CB-CE1 3.98Å; K146-Y183 HydrophobicContact CB-CE2 4.36Å; K146-Y183 HydrophobicContact CB-CG 4.05Å; K146-Y183 HydrophobicContact CD-CD1 4.35Å; K146-Y183 HydrophobicContact CD-CG 4.2Å; K146-Y183 HydrophobicContact CG-CD1 4.22Å; K146-Y183 HydrophobicContact CG-CD2 4.23Å; K146-Y183 HydrophobicContact CG-CG 3.95Å; K146-Y183 PolarHBondContact NZ-O 3.41Å; K146-Y183 VanDerWaalsContact NZ-O 3.09Å; F149-Y183 HydrophobicContact CB-CE2 4.37Å; F149-Y183 AromaticContact CD1-CD2 3.83Å; F149-Y183 HydrophobicContact CD1-CD2 3.83Å; F149-Y183 HydrophobicContact CD1-CE2 4.11Å; F149-Y183 HydrophobicContact CE1-CD2 4.33Å; F149-Y183 HydrophobicContact CG-CE2 4.43Å; L179-Y183 HydrophobicContact CB-CD2 4.41Å; L179-Y183 HydrophobicContact CB-CE2 4.36Å; L179-Y183 HydrophobicContact CD2-CE2 4.12Å; L179-Y183 WeakPolarHBondContact O-CD2 3.34Å; L179-Y183 PolarHBondContact O-N 2.69Å; S180-Y183 CarbonylContact O-C 3.52Å; S180-Y183 PolarHBondContact O-N 3.06Å; A181-Y183 VanDerWaalsContact C-N 3.34Å; Y183-E185 VanDerWaalsContact C-N 3.29Å; Y183-E185 PolarHBondContact O-N 3.24Å; Y183-L505 HydrophobicContact CD1-CD1 4.08Å
184	Y	93.4	Very high	95.8	Very high	37 Å²	37	32.5 Å²	32.5	15%	0.145	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	22.9	177.9	-54.6	-66.6	0	0	0	115.3	R141 S180 A181 F182 Y186 L505 V507 L536	R141-Y184 VanDerWaalsContact NE-CZ 3.26Å; R141-Y184 PolarHBondContact NE-OH 3.45Å; R141-Y184 PolarHBondContact NH1-OH 2.87Å; R141-Y184 PolarHBondContact NH2-OH 3.15Å; S180-Y184 PolarHBondContact O-N 2.95Å; A181-Y184 PolarHBondContact O-N 3.46Å; F182-Y184 VanDerWaalsContact C-N 3.33Å; F182-Y184 PolarHBondContact O-N 3.46Å; Y184-Y186 HydrophobicContact CD1-CE2 4.11Å; Y184-Y186 AromaticContact CD1-CZ 3.96Å; Y184-Y186 WeakPolarHBondContact CD1-OH 3.49Å; Y184-Y186 PolarHBondContact O-N 2.92Å; Y184-L505 HydrophobicContact CD2-CD2 4.47Å; Y184-V507 HydrophobicContact CE1-CG2 4.25Å; Y184-V507 HydrophobicContact CE2-CG2 3.8Å; Y184-V507 WeakPolarHBondContact OH-CG2 3.27Å; Y184-L536 WeakPolarHBondContact CD1-O 3.3Å; Y184-L536 HydrophobicContact CD2-CB 4.09Å; Y184-L536 HydrophobicContact CD2-CD2 3.85Å; Y184-L536 HydrophobicContact CD2-CG 4.46Å; Y184-L536 HydrophobicContact CE2-CB 4.33Å; Y184-L536 HydrophobicContact CG-CB 4.26Å; Y184-L536 HydrophobicContact CG-CD2 4.32Å
185	E	93.9	Very high	95.7	Very high	47 Å²	47	34.8 Å²	34.8	22%	0.22	17%	0.171	C	C	.	.			trans	-100.3	67.7	175	-64.5	-176.3	-177	0	0	110.6	K146 Q150 S180 Y183 E187 A188 S189	K146-E185 WeakPolarHBondContact CE-OE1 3.3Å; K146-E185 IonicContact NZ-OE1 3.71Å; K146-E185 PolarHBondContact NZ-OE1 3.48Å; Q150-E185 PolarHBondContact NE2-OE1 3.27Å; S180-E185 WeakPolarHBondContact CB-O 3.39Å; S180-E185 CarbonylContact O-C 3.52Å; S180-E185 WeakPolarHBondContact O-CA 3.47Å; S180-E185 PolarHBondContact O-N 2.96Å; Y183-E185 VanDerWaalsContact C-N 3.29Å; Y183-E185 PolarHBondContact O-N 3.24Å; E185-E187 PolarHBondContact O-N 3.24Å; E185-A188 HydrophobicContact CB-CB 4.18Å; E185-A188 PolarHBondContact O-N 3.23Å; E185-S189 WeakPolarHBondContact O-CB 3.29Å; E185-S189 PolarHBondContact O-N 3.23Å
186	Y	92.3	Very high	95.6	Very high	49 Å²	49	34.8 Å²	34.8	19%	0.192	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-37.6	-173.8	-61.2	-69.5	0	0	0	113.7	Y184 S189 K190 R288 H289	Y184-Y186 HydrophobicContact CD1-CE2 4.11Å; Y184-Y186 AromaticContact CD1-CZ 3.96Å; Y184-Y186 WeakPolarHBondContact CD1-OH 3.49Å; Y184-Y186 PolarHBondContact O-N 2.92Å; Y186-S189 WeakPolarHBondContact O-CB 3.36Å; Y186-S189 PolarHBondContact O-N 3.16Å; Y186-K190 PolarHBondContact O-N 3.32Å; Y186-R288 VanDerWaalsContact CE1-O 3.3Å; Y186-R288 WeakPolarHBondContact CE1-O 3.37Å; Y186-R288 PolarHBondContact OH-O 3.42Å; Y186-H289 AromaticContact CD1-CD2 3.57Å; Y186-H289 AromaticContact CD1-CG 3.98Å; Y186-H289 AromaticContact CD1-NE2 3.64Å; Y186-H289 PolarHBondContact O-NE2 2.99Å
187	E	92.9	Very high	95.5	Very high	169 Å²	169	35.9 Å²	35.9	79%	0.79	18%	0.179	S	C	*	.	H	α-helix	trans	-66.4	-43.6	178.2	-64.5	-174.2	168.8	0	0	112.1	E185 K190 T191	E185-E187 PolarHBondContact O-N 3.24Å; E187-K190 PolarHBondContact O-N 3.48Å; E187-T191 PolarHBondContact O-N 3Å; E187-T191 PolarHBondContact O-OG1 3.31Å
188	A	95.1	Very high	95.3	Very high	31 Å²	31	41.8 Å²	41.8	26%	0.256	21%	0.206	S	C	.	.	H	α-helix	trans	-62.9	-45.2	174.4	0	0	0	0	0	110.4	E185 K190 T191 F192	E185-A188 HydrophobicContact CB-CB 4.18Å; E185-A188 PolarHBondContact O-N 3.23Å; A188-K190 VanDerWaalsContact C-N 3.33Å; A188-K190 PolarHBondContact O-N 3.15Å; A188-T191 WeakPolarHBondContact O-CB 3.39Å; A188-T191 PolarHBondContact O-N 2.92Å; A188-T191 VanDerWaalsContact O-N 3.09Å; A188-F192 HydrophobicContact CB-CE2 4.26Å; A188-F192 WeakPolarHBondContact O-CD2 3.34Å; A188-F192 PolarHBondContact O-N 2.99Å
189	S	96.4	Very high	95	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-54	-47.7	176.7	-176.9	0	0	0	0	112.8	S177 A181 E185 Y186 T191 F192 A193 L285	S177-S189 WeakPolarHBondContact O-CB 3.27Å; S177-S189 PolarHBondContact O-OG 2.97Å; S177-S189 PolarHBondContact OG-O 3.5Å; S177-S189 PolarHBondContact OG-OG 3.44Å; A181-S189 WeakPolarHBondContact CB-OG 3.26Å; E185-S189 WeakPolarHBondContact O-CB 3.29Å; E185-S189 PolarHBondContact O-N 3.23Å; Y186-S189 WeakPolarHBondContact O-CB 3.36Å; Y186-S189 PolarHBondContact O-N 3.16Å; S189-T191 VanDerWaalsContact C-N 3.34Å; S189-T191 PolarHBondContact O-N 2.65Å; S189-F192 PolarHBondContact O-N 3.26Å; S189-A193 WeakPolarHBondContact O-CB 3.43Å; S189-A193 PolarHBondContact O-N 2.87Å; S189-L285 VanDerWaalsContact OG-CD2 3.24Å; S189-L285 WeakPolarHBondContact OG-CD2 3.39Å
190	K	95.9	Very high	94.7	Very high	146 Å²	146	46.1 Å²	46.1	64%	0.635	23%	0.225	S	C	*	.	H	α-helix	trans	-65.1	-37.1	178	-173.8	178.3	-178.7	178.4	0	112.4	Y186 E187 A188 A193 T194	Y186-K190 PolarHBondContact O-N 3.32Å; E187-K190 PolarHBondContact O-N 3.48Å; A188-K190 VanDerWaalsContact C-N 3.33Å; A188-K190 PolarHBondContact O-N 3.15Å; K190-A193 PolarHBondContact O-N 3.2Å; K190-T194 WeakPolarHBondContact O-CB 3.34Å; K190-T194 PolarHBondContact O-N 3.39Å; K190-T194 PolarHBondContact O-OG1 2.9Å
191	T	96.7	Very high	94.5	Very high	82 Å²	82	49.8 Å²	49.8	50%	0.503	24%	0.244	S	C	.	.	H	α-helix	trans	-63.9	-48	177.5	-57.4	0	0	0	0	110.7	E187 A188 S189 T194 R195	E187-T191 PolarHBondContact O-N 3Å; E187-T191 PolarHBondContact O-OG1 3.31Å; A188-T191 WeakPolarHBondContact O-CB 3.39Å; A188-T191 PolarHBondContact O-N 2.92Å; A188-T191 VanDerWaalsContact O-N 3.09Å; S189-T191 VanDerWaalsContact C-N 3.34Å; S189-T191 PolarHBondContact O-N 2.65Å; T191-T194 PolarHBondContact O-N 3.35Å; T191-R195 PolarHBondContact O-N 3.11Å
192	F	96.9	Very high	94.3	Very high	11 Å²	11	50 Å²	50	5%	0.048	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-42.9	175.6	-69.4	-59.2	0	0	0	112.7	I153 E157 Y172 L173 A188 S189 T194 R195 C196	I153-F192 HydrophobicContact CD1-CE2 4.23Å; I153-F192 HydrophobicContact CD1-CZ 4.25Å; I153-F192 HydrophobicContact CG1-CZ 4.15Å; I153-F192 HydrophobicContact CG2-CZ 3.89Å; E157-F192 WeakPolarHBondContact OE1-CE1 2.99Å; Y172-F192 HydrophobicContact CE1-CE1 4.4Å; L173-F192 HydrophobicContact CD2-CD1 3.88Å; A188-F192 HydrophobicContact CB-CE2 4.26Å; A188-F192 WeakPolarHBondContact O-CD2 3.34Å; A188-F192 PolarHBondContact O-N 2.99Å; S189-F192 PolarHBondContact O-N 3.26Å; F192-T194 VanDerWaalsContact C-N 3.33Å; F192-T194 PolarHBondContact O-N 2.95Å; F192-R195 PolarHBondContact O-N 3.4Å; F192-C196 WeakPolarHBondContact O-CB 3.45Å; F192-C196 PolarHBondContact O-N 3.31Å
193	A	96.8	Very high	94.2	Very high	8 Å²	8	52 Å²	52	7%	0.066	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-42.1	176.4	0	0	0	0	0	111.8	S189 K190 C196 S197 F278 L285	S189-A193 WeakPolarHBondContact O-CB 3.43Å; S189-A193 PolarHBondContact O-N 2.87Å; K190-A193 PolarHBondContact O-N 3.2Å; A193-C196 WeakPolarHBondContact O-CB 3.21Å; A193-C196 PolarHBondContact O-N 3.15Å; A193-S197 PolarHBondContact O-N 3.43Å; A193-F278 WeakPolarHBondContact O-CE2 3.35Å; A193-F278 WeakPolarHBondContact O-CZ 3.26Å; A193-L285 HydrophobicContact CB-CD1 3.8Å
194	T	96.5	Very high	94.1	Very high	68 Å²	68	53 Å²	53	42%	0.417	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-45.1	177.4	-56.3	0	0	0	0	111.3	K190 T191 F192 S197 Q198	K190-T194 WeakPolarHBondContact O-CB 3.34Å; K190-T194 PolarHBondContact O-N 3.39Å; K190-T194 PolarHBondContact O-OG1 2.9Å; T191-T194 PolarHBondContact O-N 3.35Å; F192-T194 VanDerWaalsContact C-N 3.33Å; F192-T194 PolarHBondContact O-N 2.95Å; T194-S197 VanDerWaalsContact O-CB 3.3Å; T194-S197 WeakPolarHBondContact O-CB 3.31Å; T194-S197 PolarHBondContact O-N 3.43Å; T194-Q198 WeakPolarHBondContact O-CG 3.34Å; T194-Q198 PolarHBondContact O-N 3.25Å; T194-Q198 VanDerWaalsContact O-N 3.07Å
195	R	94.8	Very high	94	Very high	48 Å²	48	56.4 Å²	56.4	18%	0.181	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-44.7	174.7	-73.4	172.7	66.7	-173.7	5.6	111.5	E157 L173 T191 F192 S197 Q198 Y199	E157-R195 IonicContact OE1-CZ 3.36Å; E157-R195 IonicContact OE1-NH1 2.75Å; E157-R195 PolarHBondContact OE1-NH1 2.97Å; E157-R195 IonicContact OE1-NH2 2.93Å; E157-R195 PolarHBondContact OE1-NH2 3.18Å; E157-R195 IonicContact OE2-CZ 3.74Å; E157-R195 VanDerWaalsContact OE2-CZ 3.3Å; E157-R195 IonicContact OE2-NH1 3.63Å; E157-R195 PolarHBondContact OE2-NH1 2.87Å; E157-R195 IonicContact OE2-NH2 2.82Å; E157-R195 PolarHBondContact OE2-NH2 3.45Å; E157-R195 VanDerWaalsContact OE2-NH2 3.13Å; L173-R195 HydrophobicContact CD1-CB 4.14Å; L173-R195 HydrophobicContact CD2-CB 4.07Å; T191-R195 PolarHBondContact O-N 3.11Å; F192-R195 PolarHBondContact O-N 3.4Å; R195-S197 VanDerWaalsContact C-N 3.28Å; R195-S197 PolarHBondContact O-N 2.99Å; R195-Q198 WeakPolarHBondContact O-CB 3.35Å; R195-Q198 PolarHBondContact O-N 3.35Å; R195-Y199 WeakPolarHBondContact O-CD2 3.36Å; R195-Y199 PolarHBondContact O-N 3.3Å
196	C	94.9	Very high	94	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.2	-42.3	176.7	-170	0	0	0	0	111.5	L173 F192 A193 Q198 Y199 L200 F278	L173-C196 HydrophobicContact CB-CB 4.01Å; L173-C196 HydrophobicContact CD1-CB 4.31Å; F192-C196 WeakPolarHBondContact O-CB 3.45Å; F192-C196 PolarHBondContact O-N 3.31Å; A193-C196 WeakPolarHBondContact O-CB 3.21Å; A193-C196 PolarHBondContact O-N 3.15Å; C196-Q198 VanDerWaalsContact C-N 3.31Å; C196-Q198 PolarHBondContact O-N 3.18Å; C196-Y199 PolarHBondContact O-N 3.09Å; C196-L200 WeakPolarHBondContact O-CB 3.46Å; C196-L200 WeakPolarHBondContact O-CG 3.19Å; C196-L200 PolarHBondContact O-N 3.36Å; C196-F278 HydrophobicContact CB-CD2 4.07Å; C196-F278 HydrophobicContact CB-CE2 3.73Å; C196-F278 VanDerWaalsContact SG-CD2 3.57Å
197	S	94.9	Very high	93.9	Very high	23 Å²	23	57.1 Å²	57.1	16%	0.161	29%	0.287	C	S	.	.	H	α-helix	trans	-58.6	-40.7	174.2	-146.8	0	0	0	0	112.4	A193 T194 R195 L200 N201 I202	A193-S197 PolarHBondContact O-N 3.43Å; T194-S197 VanDerWaalsContact O-CB 3.3Å; T194-S197 WeakPolarHBondContact O-CB 3.31Å; T194-S197 PolarHBondContact O-N 3.43Å; R195-S197 VanDerWaalsContact C-N 3.28Å; R195-S197 PolarHBondContact O-N 2.99Å; S197-L200 PolarHBondContact O-N 3.26Å; S197-N201 PolarHBondContact O-N 3.01Å; S197-I202 PolarHBondContact O-N 2.93Å; S197-I202 PolarHBondContact OG-O 3.2Å
198	Q	92.9	Very high	93.7	Very high	124 Å²	124	52.2 Å²	52.2	58%	0.579	28%	0.281	S	S	*	.	H	α-helix	trans	-66.6	-43.8	177	-68.5	167.4	-10.8	0	0	112	T194 R195 C196 L200 N201	T194-Q198 WeakPolarHBondContact O-CG 3.34Å; T194-Q198 PolarHBondContact O-N 3.25Å; T194-Q198 VanDerWaalsContact O-N 3.07Å; R195-Q198 WeakPolarHBondContact O-CB 3.35Å; R195-Q198 PolarHBondContact O-N 3.35Å; C196-Q198 VanDerWaalsContact C-N 3.31Å; C196-Q198 PolarHBondContact O-N 3.18Å; Q198-L200 VanDerWaalsContact C-N 3.31Å; Q198-L200 PolarHBondContact O-N 3.25Å; Q198-N201 PolarHBondContact O-N 2.99Å; Q198-N201 VanDerWaalsContact O-N 3.14Å; Q198-N201 PolarHBondContact O-OD1 3.32Å
199	Y	91.2	Very high	93.3	Very high	96 Å²	96	51.8 Å²	51.8	38%	0.376	28%	0.278	S	S	.	.	H	α-helix	trans	-63.1	-37.4	175.5	-87	-87.3	0	0	0	112.4	V169 L173 R195 C196 N201	V169-Y199 HydrophobicContact CG1-CD1 4.22Å; V169-Y199 HydrophobicContact CG1-CD2 4.36Å; V169-Y199 HydrophobicContact CG1-CE1 3.81Å; V169-Y199 HydrophobicContact CG1-CE2 3.99Å; V169-Y199 HydrophobicContact CG1-CG 4.48Å; L173-Y199 HydrophobicContact CD1-CD2 3.61Å; L173-Y199 HydrophobicContact CD1-CE2 3.95Å; L173-Y199 HydrophobicContact CD1-CG 4.38Å; R195-Y199 WeakPolarHBondContact O-CD2 3.36Å; R195-Y199 PolarHBondContact O-N 3.3Å; C196-Y199 PolarHBondContact O-N 3.09Å; Y199-N201 VanDerWaalsContact C-N 3.29Å
200	L	91.8	Very high	92.9	Very high	23 Å²	23	55.7 Å²	55.7	12%	0.12	30%	0.298	C	S	.	.	H	α-helix	trans	-77.6	-12.8	176.1	-68.5	173.7	0	0	0	113.4	I170 C196 S197 Q198 I202 T274 F278	I170-L200 HydrophobicContact CD1-CD2 3.62Å; I170-L200 HydrophobicContact CD1-CG 4.37Å; I170-L200 HydrophobicContact CG1-CD2 4.36Å; C196-L200 WeakPolarHBondContact O-CB 3.46Å; C196-L200 WeakPolarHBondContact O-CG 3.19Å; C196-L200 PolarHBondContact O-N 3.36Å; S197-L200 PolarHBondContact O-N 3.26Å; Q198-L200 VanDerWaalsContact C-N 3.31Å; Q198-L200 PolarHBondContact O-N 3.25Å; L200-I202 HydrophobicContact CB-CD1 4.18Å; L200-I202 HydrophobicContact CB-CG1 3.76Å; L200-I202 HydrophobicContact CD1-CD1 4.06Å; L200-I202 HydrophobicContact CD1-CG1 4.43Å; L200-I202 PolarHBondContact O-N 2.99Å; L200-T274 WeakPolarHBondContact CD2-OG1 3.43Å; L200-F278 HydrophobicContact CD1-CB 3.61Å; L200-F278 HydrophobicContact CD1-CD1 4.06Å; L200-F278 HydrophobicContact CD1-CD2 4.24Å; L200-F278 HydrophobicContact CD1-CG 3.71Å
201	N	91.3	Very high	92.6	Very high	76 Å²	76	48.7 Å²	48.7	41%	0.406	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	34.3	-173.3	-60.8	-71.9	0	0	0	113.8	S197 Q198 Y199 V231	S197-N201 PolarHBondContact O-N 3.01Å; Q198-N201 PolarHBondContact O-N 2.99Å; Q198-N201 VanDerWaalsContact O-N 3.14Å; Q198-N201 PolarHBondContact O-OD1 3.32Å; Y199-N201 VanDerWaalsContact C-N 3.29Å; N201-V231 PolarHBondContact O-N 3.05Å
202	I	92.2	Very high	92.2	Very high	5 Å²	5	48 Å²	48	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	152.7	177.4	63.9	172.1	0	0	0	111.6	S197 L200 V204 V228 N229 R230 E275 F278	S197-I202 PolarHBondContact O-N 2.93Å; S197-I202 PolarHBondContact OG-O 3.2Å; L200-I202 HydrophobicContact CB-CD1 4.18Å; L200-I202 HydrophobicContact CB-CG1 3.76Å; L200-I202 HydrophobicContact CD1-CD1 4.06Å; L200-I202 HydrophobicContact CD1-CG1 4.43Å; L200-I202 PolarHBondContact O-N 2.99Å; I202-V204 HydrophobicContact CD1-CG2 4.02Å; I202-V204 HydrophobicContact CG1-CG2 4.46Å; I202-V228 HydrophobicContact CB-CG1 4.05Å; I202-V228 HydrophobicContact CD1-CG1 4.43Å; I202-V228 HydrophobicContact CG2-CG1 4.07Å; I202-N229 CarbonylContact C-O 3.59Å; I202-N229 VanDerWaalsContact CA-O 3.32Å; I202-N229 WeakPolarHBondContact CA-O 3.41Å; I202-R230 HydrophobicContact CG2-CG 4.22Å; I202-E275 HydrophobicContact CD1-CB 4.39Å; I202-E275 HydrophobicContact CD1-CG 4.15Å; I202-E275 HydrophobicContact CG2-CG 4.24Å; I202-E275 WeakPolarHBondContact CG2-OE1 3.42Å; I202-F278 HydrophobicContact CD1-CD1 3.61Å; I202-F278 HydrophobicContact CD1-CE1 4.13Å; I202-F278 HydrophobicContact CG1-CD1 4.34Å; I202-F278 HydrophobicContact CG1-CE1 4.42Å
203	D	91.8	Very high	91.6	Very high	50 Å²	50	49.4 Å²	49.4	27%	0.267	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	119.2	170.9	169.9	50.6	0	0	0	108.4	K205 N229	D203-K205 WeakPolarHBondContact OD1-CE 3.43Å; D203-K205 IonicContact OD1-NZ 3.62Å; D203-K205 VanDerWaalsContact OD2-CD 3.26Å; D203-K205 WeakPolarHBondContact OD2-CD 3.28Å; D203-K205 WeakPolarHBondContact OD2-CE 3.4Å; D203-K205 IonicContact OD2-NZ 3.85Å; D203-K205 PolarHBondContact OD2-NZ 3.16Å; D203-N229 HydrophobicContact CB-CB 4.34Å; D203-N229 PolarHBondContact N-O 3.21Å; D203-N229 PolarHBondContact O-N 3.36Å
204	V	93	Very high	91.2	Very high	19 Å²	19	50.7 Å²	50.7	12%	0.115	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	115.2	-172.4	-175.5	0	0	0	0	108.9	I202 V226 V228 F278 I279 L282 Y303	I202-V204 HydrophobicContact CD1-CG2 4.02Å; I202-V204 HydrophobicContact CG1-CG2 4.46Å; V204-V226 HydrophobicContact CG1-CG1 3.22Å; V204-V228 HydrophobicContact CG2-CG2 4.46Å; V204-F278 HydrophobicContact CG2-CD1 4.39Å; V204-F278 HydrophobicContact CG2-CE1 4.25Å; V204-I279 HydrophobicContact CG2-CG1 4.42Å; V204-L282 HydrophobicContact CB-CD1 3.66Å; V204-L282 HydrophobicContact CG1-CD1 3.87Å; V204-L282 HydrophobicContact CG2-CD1 3.87Å; V204-Y303 HydrophobicContact CG1-CD1 4.34Å; V204-Y303 HydrophobicContact CG1-CE1 3.8Å
205	K	92.5	Very high	90.7	Very high	110 Å²	110	53.6 Å²	53.6	48%	0.478	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.4	-175	-74.5	176.8	174.4	149.5	0	112.3	D203 V226 K227	D203-K205 WeakPolarHBondContact OD1-CE 3.43Å; D203-K205 IonicContact OD1-NZ 3.62Å; D203-K205 VanDerWaalsContact OD2-CD 3.26Å; D203-K205 WeakPolarHBondContact OD2-CD 3.28Å; D203-K205 WeakPolarHBondContact OD2-CE 3.4Å; D203-K205 IonicContact OD2-NZ 3.85Å; D203-K205 PolarHBondContact OD2-NZ 3.16Å; K205-V226 WeakPolarHBondContact O-CA 3.48Å; K205-K227 PolarHBondContact N-O 3Å; K205-K227 PolarHBondContact O-N 3.47Å
206	F	92.8	Very high	90.4	Very high	66 Å²	66	58.8 Å²	58.8	29%	0.289	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	137.1	168.5	-67.8	-66	0	0	0	110.7	L224 V226 Q299 A302 Y303	F206-L224 HydrophobicContact CB-CD1 3.94Å; F206-L224 HydrophobicContact CD1-CD1 3.91Å; F206-L224 HydrophobicContact CD1-CD2 4.08Å; F206-L224 HydrophobicContact CD1-CG 4.1Å; F206-L224 HydrophobicContact CE1-CD2 4.28Å; F206-L224 HydrophobicContact CG-CD1 4.22Å; F206-V226 HydrophobicContact CD1-CG2 3.69Å; F206-V226 HydrophobicContact CE1-CG2 3.68Å; F206-Q299 HydrophobicContact CE1-CB 3.93Å; F206-Q299 HydrophobicContact CE1-CG 4.06Å; F206-Q299 HydrophobicContact CE2-CB 4.48Å; F206-Q299 HydrophobicContact CE2-CG 4.32Å; F206-Q299 HydrophobicContact CZ-CB 3.66Å; F206-Q299 HydrophobicContact CZ-CG 3.87Å; F206-A302 HydrophobicContact CE1-CB 4.35Å; F206-Y303 HydrophobicContact CE1-CD2 4.37Å; F206-Y303 HydrophobicContact CE1-CE1 4.35Å; F206-Y303 AromaticContact CE1-CE2 3.94Å; F206-Y303 HydrophobicContact CE1-CE2 3.94Å; F206-Y303 AromaticContact CE1-CZ 3.91Å; F206-Y303 HydrophobicContact CE2-CE2 4.2Å; F206-Y303 AromaticContact CE2-CZ 3.94Å; F206-Y303 WeakPolarHBondContact CE2-OH 3.21Å; F206-Y303 HydrophobicContact CZ-CD2 4.13Å; F206-Y303 HydrophobicContact CZ-CE1 4.21Å; F206-Y303 AromaticContact CZ-CE2 3.33Å; F206-Y303 HydrophobicContact CZ-CE2 3.33Å; F206-Y303 AromaticContact CZ-CZ 3.36Å; F206-Y303 VanDerWaalsContact CZ-OH 3.32Å; F206-Y303 WeakPolarHBondContact CZ-OH 3.37Å
207	C	89.9	Confident	89.9	Confident	45 Å²	45	60.5 Å²	60.5	30%	0.304	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	153.7	175.6	-70.9	0	0	0	0	109.4	T225 K227	C207-T225 HydrophobicContact CB-CG2 4.16Å; C207-T225 PolarHBondContact N-O 2.66Å; C207-T225 WeakPolarHBondContact O-CG2 3.17Å; C207-T225 PolarHBondContact O-N 3.1Å; C207-K227 HydrophobicContact CB-CB 4.36Å
208	G	88.6	Confident	89.5	Confident	66 Å²	66	68 Å²	68	68%	0.68	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.9	169.6	0	0	0	0	0	109.7
209	A	87.6	Confident	89.4	Confident	22 Å²	22	70.4 Å²	70.4	18%	0.182	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143	173.9	0	0	0	0	0	110.3	G211 T223 T225 F262	A209-G211 PolarHBondContact O-N 3.41Å; A209-T223 PolarHBondContact N-O 3.08Å; A209-T223 PolarHBondContact O-N 3.33Å; A209-T223 PolarHBondContact O-OG1 3.15Å; A209-T225 HydrophobicContact CB-CG2 3.79Å; A209-F262 HydrophobicContact CB-CD1 3.5Å; A209-F262 VanDerWaalsContact CB-CD1 3.5Å; A209-F262 HydrophobicContact CB-CE1 3.77Å; A209-F262 HydrophobicContact CB-CG 4.49Å
210	L	89	Confident	89.2	Confident	81 Å²	81	69.6 Å²	69.6	42%	0.424	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	123.8	177.3	-71.4	175.4	0	0	0	109.5	E220 F262 S263	L210-E220 HydrophobicContact CB-CB 4.07Å; L210-E220 HydrophobicContact CD2-CB 4.37Å; L210-F262 WeakPolarHBondContact O-CA 3.46Å; L210-S263 PolarHBondContact O-N 2.88Å; L210-S263 PolarHBondContact O-OG 3.2Å
211	G	87.6	Confident	89	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	168.5	-178.1	0	0	0	0	0	114	A209 Q217 V221 I261	A209-G211 PolarHBondContact O-N 3.41Å; G211-Q217 PolarHBondContact O-NE2 2.83Å; G211-V221 PolarHBondContact N-O 2.88Å; G211-V221 PolarHBondContact O-N 3.42Å; G211-I261 CarbonylContact C-O 3.52Å; G211-I261 WeakPolarHBondContact CA-O 3.18Å
212	K	88.5	Confident	88.9	Confident	66 Å²	66	72.4 Å²	72.4	29%	0.287	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.2	175.3	-61.5	-174.9	179.5	-165.4	0	109.4	Q217 E220 L257 I261	K212-Q217 HydrophobicContact CG-CG 4.42Å; K212-Q217 PolarHBondContact NZ-O 3.16Å; K212-E220 HydrophobicContact CG-CG 4.06Å; K212-L257 HydrophobicContact CB-CD1 4.33Å; K212-L257 WeakPolarHBondContact O-CD1 3.45Å; K212-I261 PolarHBondContact N-O 3.28Å; K212-I261 PolarHBondContact O-N 2.95Å; K212-I261 VanDerWaalsContact O-N 3.09Å
213	C	85	Confident	88.7	Confident	41 Å²	41	73.1 Å²	73.1	28%	0.277	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-17.1	177.1	-58.8	0	0	0	0	112.5	L257	C213-L257 PolarHBondContact O-N 3.2Å
214	T	89	Confident	88.7	Confident	35 Å²	35	74.2 Å²	74.2	22%	0.215	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153.4	-178.7	78.8	0	0	0	0	111.1	F216 Q217 V255 L256	T214-F216 PolarHBondContact O-N 3.41Å; T214-Q217 PolarHBondContact O-N 3.47Å; T214-Q217 VanDerWaalsContact OG1-CB 3.32Å; T214-Q217 WeakPolarHBondContact OG1-CB 3.48Å; T214-Q217 PolarHBondContact OG1-N 3.19Å; T214-V255 CarbonylContact C-O 3.53Å; T214-V255 WeakPolarHBondContact CA-O 3.37Å; T214-V255 VanDerWaalsContact CB-O 3.32Å; T214-V255 WeakPolarHBondContact CB-O 3.19Å; T214-V255 HydrophobicContact CG2-CG1 4.26Å; T214-L256 HydrophobicContact CG2-CD2 4.01Å
215	R	86.3	Confident	88.5	Confident	130 Å²	130	74.6 Å²	74.6	49%	0.491	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.4	179.7	-64.4	179.6	-175	172.3	2.8	112.9	D253 V255 L257	R215-D253 PolarHBondContact NH1-O 3.36Å; R215-D253 PolarHBondContact NH2-O 3.3Å; R215-V255 PolarHBondContact N-O 2.76Å; R215-L257 HydrophobicContact CG-CD2 3.62Å; R215-L257 HydrophobicContact CG-CG 4.23Å
216	F	87.6	Confident	88.4	Confident	156 Å²	156	69.7 Å²	69.7	68%	0.684	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	7.1	-175.1	-52.6	-72.1	0	0	0	113.5	T214 E218 D254 V255	T214-F216 PolarHBondContact O-N 3.41Å; F216-E218 PolarHBondContact O-N 3.13Å; F216-D254 WeakPolarHBondContact CE2-O 3.27Å; F216-V255 HydrophobicContact CD2-CG1 4.45Å; F216-V255 HydrophobicContact CE2-CG2 4.4Å
217	Q	85.5	Confident	88.2	Confident	37 Å²	37	69.6 Å²	69.6	17%	0.173	37%	0.371	C	S	.	.			trans	-75.6	113.7	-180	-179.2	174.3	-10.4	0	0	111.2	G211 K212 T214 K219	G211-Q217 PolarHBondContact O-NE2 2.83Å; K212-Q217 HydrophobicContact CG-CG 4.42Å; K212-Q217 PolarHBondContact NZ-O 3.16Å; T214-Q217 PolarHBondContact O-N 3.47Å; T214-Q217 VanDerWaalsContact OG1-CB 3.32Å; T214-Q217 WeakPolarHBondContact OG1-CB 3.48Å; T214-Q217 PolarHBondContact OG1-N 3.19Å; Q217-K219 WeakPolarHBondContact CG-O 3.46Å; Q217-K219 PolarHBondContact NE2-O 2.93Å
218	E	86.3	Confident	88.3	Confident	179 Å²	179	67.8 Å²	67.8	84%	0.836	36%	0.359	S	S	*	.			trans	-75.7	-51.7	176.2	-64.7	-176.7	171.1	0	0	111.8	F216	F216-E218 PolarHBondContact O-N 3.13Å
219	K	89.5	Confident	88.3	Confident	175 Å²	175	67.4 Å²	67.4	76%	0.761	34%	0.341	S	S	*	.	S	Bend	trans	-91.8	130	-178.1	-66.1	-176.2	-179.2	179.4	0	111.5	Q217	Q217-K219 WeakPolarHBondContact CG-O 3.46Å; Q217-K219 PolarHBondContact NE2-O 2.93Å
220	E	86.9	Confident	88.1	Confident	80 Å²	80	69.5 Å²	69.5	37%	0.374	34%	0.344	S	S	.	.			trans	-69.2	139.4	173.3	-61.9	174.7	-176.4	0	0	110.5	L210 K212 S263	L210-E220 HydrophobicContact CB-CB 4.07Å; L210-E220 HydrophobicContact CD2-CB 4.37Å; K212-E220 HydrophobicContact CG-CG 4.06Å; E220-S263 VanDerWaalsContact CD-CB 3.5Å; E220-S263 WeakPolarHBondContact OE1-CB 3.29Å; E220-S263 WeakPolarHBondContact OE2-CB 3.42Å; E220-S263 PolarHBondContact OE2-OG 3.01Å
221	V	88.4	Confident	87.4	Confident	85 Å²	85	71 Å²	71	52%	0.515	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.4	179.1	174.7	0	0	0	0	108.1	G211 T223	G211-V221 PolarHBondContact N-O 2.88Å; G211-V221 PolarHBondContact O-N 3.42Å; V221-T223 PolarHBondContact O-N 3.29Å; V221-T223 VanDerWaalsContact O-N 3.11Å
222	A	88.5	Confident	86.6	Confident	73 Å²	73	75.1 Å²	75.1	60%	0.603	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	113.5	173	0	0	0	0	0	109
223	T	88.1	Confident	85.1	Confident	20 Å²	20	80.9 Å²	80.9	12%	0.123	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141.9	-179.1	49.7	0	0	0	0	109.2	A209 V221 T225 V260 F262	A209-T223 PolarHBondContact N-O 3.08Å; A209-T223 PolarHBondContact O-N 3.33Å; A209-T223 PolarHBondContact O-OG1 3.15Å; V221-T223 PolarHBondContact O-N 3.29Å; V221-T223 VanDerWaalsContact O-N 3.11Å; T223-T225 PolarHBondContact O-N 2.89Å; T223-V260 HydrophobicContact CG2-CG1 4.19Å; T223-F262 WeakPolarHBondContact OG1-CE1 3.43Å
224	L	91.6	Very high	83.6	Confident	73 Å²	73	81.4 Å²	81.4	38%	0.382	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	127.9	-178.3	-173.2	68.5	0	0	0	109.8	F206 Q299 A302	F206-L224 HydrophobicContact CB-CD1 3.94Å; F206-L224 HydrophobicContact CD1-CD1 3.91Å; F206-L224 HydrophobicContact CD1-CD2 4.08Å; F206-L224 HydrophobicContact CD1-CG 4.1Å; F206-L224 HydrophobicContact CE1-CD2 4.28Å; F206-L224 HydrophobicContact CG-CD1 4.22Å; L224-Q299 HydrophobicContact CD2-CB 4.33Å; L224-Q299 HydrophobicContact CD2-CG 3.68Å; L224-A302 HydrophobicContact CD2-CB 3.98Å; L224-A302 HydrophobicContact CG-CB 3.99Å
225	T	88.6	Confident	81.6	Confident	26 Å²	26	89.4 Å²	89.4	16%	0.16	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	161.4	173.3	-171.5	0	0	0	0	109.6	C207 A209 T223	C207-T225 HydrophobicContact CB-CG2 4.16Å; C207-T225 PolarHBondContact N-O 2.66Å; C207-T225 WeakPolarHBondContact O-CG2 3.17Å; C207-T225 PolarHBondContact O-N 3.1Å; A209-T225 HydrophobicContact CB-CG2 3.79Å; T223-T225 PolarHBondContact O-N 2.89Å
226	V	91.8	Very high	79.7	Confident	8 Å²	8	89.4 Å²	89.4	5%	0.048	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.4	175.7	175	0	0	0	0	108.8	V204 K205 F206 A302 Y303 T306	V204-V226 HydrophobicContact CG1-CG1 3.22Å; K205-V226 WeakPolarHBondContact O-CA 3.48Å; F206-V226 HydrophobicContact CD1-CG2 3.69Å; F206-V226 HydrophobicContact CE1-CG2 3.68Å; V226-A302 HydrophobicContact CG2-CB 3.92Å; V226-Y303 HydrophobicContact CB-CD1 4.28Å; V226-Y303 HydrophobicContact CG1-CD1 3.9Å; V226-Y303 HydrophobicContact CG1-CE1 3.96Å; V226-Y303 HydrophobicContact CG2-CD1 3.63Å; V226-Y303 HydrophobicContact CG2-CE1 3.9Å; V226-Y303 HydrophobicContact CG2-CG 4.19Å; V226-T306 WeakPolarHBondContact CB-OG1 3.43Å; V226-T306 PolarHBondContact O-OG1 3.19Å
227	K	89.1	Confident	77.7	Confident	64 Å²	64	84.3 Å²	84.3	28%	0.278	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	132.8	175.9	-172.4	168.5	-173.7	153.5	0	110	K205 C207 E266	K205-K227 PolarHBondContact N-O 3Å; K205-K227 PolarHBondContact O-N 3.47Å; C207-K227 HydrophobicContact CB-CB 4.36Å; K227-E266 VanDerWaalsContact NZ-CD 3.32Å; K227-E266 IonicContact NZ-OE1 3.3Å; K227-E266 PolarHBondContact NZ-OE1 2.93Å; K227-E266 IonicContact NZ-OE2 2.76Å; K227-E266 PolarHBondContact NZ-OE2 3.29Å
228	V	90.3	Very high	75.8	Confident	6 Å²	6	90 Å²	90	4%	0.036	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	107.2	176.9	-175.7	0	0	0	0	108	I202 V204 I269 L271 I279	I202-V228 HydrophobicContact CB-CG1 4.05Å; I202-V228 HydrophobicContact CD1-CG1 4.43Å; I202-V228 HydrophobicContact CG2-CG1 4.07Å; V204-V228 HydrophobicContact CG2-CG2 4.46Å; V228-I269 HydrophobicContact CB-CD1 4.42Å; V228-I269 WeakPolarHBondContact O-CD1 3.48Å; V228-L271 HydrophobicContact CB-CD2 4.35Å; V228-L271 HydrophobicContact CG1-CD2 4.27Å; V228-L271 HydrophobicContact CG2-CD2 4.14Å; V228-I279 HydrophobicContact CG2-CD1 3.88Å
229	N	88.9	Confident	73.8	Confident	58 Å²	58	86.1 Å²	86.1	31%	0.31	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.5	176.8	-59.1	-46.8	0	0	0	109.3	I202 D203	I202-N229 CarbonylContact C-O 3.59Å; I202-N229 VanDerWaalsContact CA-O 3.32Å; I202-N229 WeakPolarHBondContact CA-O 3.41Å; D203-N229 HydrophobicContact CB-CB 4.34Å; D203-N229 PolarHBondContact N-O 3.21Å; D203-N229 PolarHBondContact O-N 3.36Å
230	R	84.5	Confident	71.7	Confident	67 Å²	67	81.7 Å²	81.7	25%	0.253	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128	173.1	-71.6	-178.3	170.3	178	-6.2	110.1	I202 V232 S234 N237 I270 E275	I202-R230 HydrophobicContact CG2-CG 4.22Å; R230-V232 VanDerWaalsContact C-N 3.32Å; R230-S234 PolarHBondContact NH1-OG 2.81Å; R230-N237 PolarHBondContact NH1-ND2 2.8Å; R230-N237 PolarHBondContact NH2-ND2 3.08Å; R230-N237 PolarHBondContact NH2-OD1 2.9Å; R230-I270 PolarHBondContact NH2-O 3.01Å; R230-E275 IonicContact CZ-OE1 3.13Å; R230-E275 IonicContact NE-OE1 2.65Å; R230-E275 PolarHBondContact NE-OE1 2.92Å; R230-E275 IonicContact NH2-OE1 3.5Å; R230-E275 PolarHBondContact NH2-OE1 2.94Å; R230-E275 VanDerWaalsContact NH2-OE1 3.12Å; R230-E275 IonicContact NH2-OE2 3.56Å; R230-E275 PolarHBondContact NH2-OE2 3.42Å
231	V	74.2	Confident	70.1	Confident	111 Å²	111	80.2 Å²	80.2	67%	0.673	45%	0.445	S	S	*	.	S	Bend	trans	-76.2	-27.1	176.3	-176.7	0	0	0	0	110.7	N201	N201-V231 PolarHBondContact O-N 3.05Å
232	V	70.2	Confident	68.9	Low	87 Å²	87	83.2 Å²	83.2	53%	0.527	46%	0.458	S	S	.	.	S	Bend	trans	-133.8	133.7	175.8	-177.5	0	0	0	0	108.8	R230 S234	R230-V232 VanDerWaalsContact C-N 3.32Å; V232-S234 PolarHBondContact O-N 2.86Å
233	E	57.2	Low	68	Low	187 Å²	187	81.5 Å²	81.5	87%	0.874	44%	0.442	S	S	*	.			trans	-64.5	102.9	171.4	-72	-178.3	177.2	0	0	109.8	K235	E233-K235 PolarHBondContact O-N 2.92Å
234	S	53.8	Low	67.7	Low	53 Å²	53	82.7 Å²	82.7	37%	0.371	45%	0.449	S	S	.	.			trans	-71.2	123.7	176.6	60.4	0	0	0	0	110.6	R230 V232 D236	R230-S234 PolarHBondContact NH1-OG 2.81Å; V232-S234 PolarHBondContact O-N 2.86Å; S234-D236 PolarHBondContact O-N 2.99Å
235	K	46.9	Very low	67.5	Low	203 Å²	203	80.7 Å²	80.7	88%	0.883	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-7.1	175.6	-70.4	-176.6	177.6	178	0	114.3	E233	E233-K235 PolarHBondContact O-N 2.92Å
236	D	46.2	Very low	67.6	Low	129 Å²	129	79.6 Å²	79.6	69%	0.69	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	32.9	-170.9	-77.6	-38.6	0	0	0	115	S234 K238	S234-D236 PolarHBondContact O-N 2.99Å; D236-K238 PolarHBondContact O-N 2.98Å
237	N	45.9	Very low	67.6	Low	49 Å²	49	84.1 Å²	84.1	26%	0.262	45%	0.453	S	S	.	.			trans	-81.1	58.2	162.6	-77.9	3.4	0	0	0	110.1	R230 T239 I270	R230-N237 PolarHBondContact NH1-ND2 2.8Å; R230-N237 PolarHBondContact NH2-ND2 3.08Å; R230-N237 PolarHBondContact NH2-OD1 2.9Å; N237-T239 PolarHBondContact O-N 3.33Å; N237-I270 HydrophobicContact CB-CB 4.45Å; N237-I270 HydrophobicContact CB-CD1 4.39Å; N237-I270 HydrophobicContact CB-CG2 4.15Å; N237-I270 WeakPolarHBondContact ND2-CB 3.42Å; N237-I270 PolarHBondContact ND2-O 3.07Å; N237-I270 VanDerWaalsContact ND2-O 3.14Å
238	K	44.7	Very low	67.7	Low	158 Å²	158	83.7 Å²	83.7	69%	0.687	45%	0.453	S	S	*	.			trans	-70.1	121.7	166	-72.5	179.9	-176.9	168.9	0	107.2	D236 S240	D236-K238 PolarHBondContact O-N 2.98Å; K238-S240 PolarHBondContact O-N 3.45Å
239	T	43.9	Very low	67.9	Low	97 Å²	97	85.1 Å²	85.1	60%	0.595	46%	0.46	S	S	*	.			trans	-67.2	64.7	163.3	43.6	0	0	0	0	109	N237 G241 I319	N237-T239 PolarHBondContact O-N 3.33Å; T239-G241 PolarHBondContact O-N 3.4Å; T239-I319 HydrophobicContact CG2-CG2 4.42Å
240	S	45.9	Very low	67.9	Low	82 Å²	82	85.9 Å²	85.9	57%	0.573	47%	0.47	S	S	*	.			trans	-86.2	113.7	179.5	52.9	0	0	0	0	110	K238 S322	K238-S240 PolarHBondContact O-N 3.45Å; S240-S322 PolarHBondContact O-OG 3.41Å
241	G	54.6	Low	67.9	Low	49 Å²	49	83.6 Å²	83.6	51%	0.505	46%	0.463	S	S	.	.			trans	77.4	113.8	164.7	0	0	0	0	0	115.4	T239 C243 S322	T239-G241 PolarHBondContact O-N 3.4Å; G241-C243 PolarHBondContact O-N 2.9Å; G241-S322 PolarHBondContact O-OG 3.48Å
242	N	62	Low	68.3	Low	147 Å²	147	81 Å²	81	79%	0.786	46%	0.459	S	S	*	.			trans	-67.6	83.1	161.7	-87.9	-16.6	0	0	0	108.4
243	C	68.8	Low	69.1	Low	38 Å²	38	78.6 Å²	78.6	26%	0.257	44%	0.443	S	S	.	.			trans	-65.8	137.9	167.2	-68.5	0	0	0	0	108.4	G241	G241-C243 PolarHBondContact O-N 2.9Å
244	P	83.2	Confident	70.5	Confident	44 Å²	44	75.5 Å²	75.5	29%	0.286	43%	0.433	S	S	.	.			trans	-59.6	146.3	171.9	24.6	-30.6	0	0	0	109.3	W325 P365 E369	P244-W325 HydrophobicContact CB-CZ3 4.32Å; P244-W325 VanDerWaalsContact O-CE3 3.27Å; P244-P365 HydrophobicContact CB-CB 3.67Å; P244-P365 HydrophobicContact CB-CG 3.86Å; P244-P365 HydrophobicContact CG-CB 3.15Å; P244-P365 HydrophobicContact CG-CG 3.61Å; P244-E369 HydrophobicContact CG-CB 3.87Å
245	L	87.9	Confident	72.2	Confident	31 Å²	31	75.2 Å²	75.2	16%	0.162	43%	0.428	C	S	.	.			trans	-126.8	153.4	-177.2	-63.2	176.1	0	0	0	110	I311 Y312 W325 A328	L245-I311 HydrophobicContact CD1-CG2 3.46Å; L245-I311 VanDerWaalsContact CD1-CG2 3.46Å; L245-I311 HydrophobicContact CD2-CG2 4.4Å; L245-Y312 HydrophobicContact CB-CE1 4.31Å; L245-Y312 HydrophobicContact CD1-CE1 4.23Å; L245-W325 WeakPolarHBondContact O-CZ3 3.45Å; L245-A328 HydrophobicContact CD2-CB 4.04Å
246	P	90.2	Very high	74.2	Confident	4 Å²	4	66.8 Å²	66.8	3%	0.026	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-60.8	155.5	173.3	24.1	-31.9	0	0	0	111.5	I248 Y312 W325 A328 L332 L356	P246-I248 PolarHBondContact O-N 2.87Å; P246-Y312 PolarHBondContact O-OH 3.33Å; P246-W325 HydrophobicContact CB-CH2 4.19Å; P246-W325 HydrophobicContact CB-CZ2 3.88Å; P246-A328 HydrophobicContact CG-CB 3.67Å; P246-L332 HydrophobicContact CB-CD1 4.33Å; P246-L332 HydrophobicContact CG-CD1 4.03Å; P246-L356 HydrophobicContact CB-CD2 3.99Å
247	Q	90.7	Very high	76.1	Confident	102 Å²	102	62.2 Å²	62.2	48%	0.477	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-74.2	128.9	-178.3	-176.3	176	-11.8	0	0	110.9	Q352 E355	Q247-Q352 PolarHBondContact O-NE2 2.96Å; Q247-E355 HydrophobicContact CB-CG 3.9Å; Q247-E355 WeakPolarHBondContact CB-OE1 3.2Å
248	I	92.6	Very high	77.9	Confident	56 Å²	56	62.9 Å²	62.9	29%	0.287	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-87.4	131	172.3	-170.7	168.7	0	0	0	110.3	P246 I308 Y312 L332	P246-I248 PolarHBondContact O-N 2.87Å; I248-I308 HydrophobicContact CD1-CG2 4.08Å; I248-Y312 HydrophobicContact CB-CD1 4.09Å; I248-Y312 HydrophobicContact CB-CE1 4.04Å; I248-Y312 HydrophobicContact CB-CG 4.37Å; I248-Y312 HydrophobicContact CD1-CD1 4.4Å; I248-Y312 HydrophobicContact CD1-CD2 3.84Å; I248-Y312 HydrophobicContact CD1-CE2 4.4Å; I248-Y312 HydrophobicContact CD1-CG 3.84Å; I248-Y312 HydrophobicContact CG2-CD1 3.75Å; I248-Y312 HydrophobicContact CG2-CE1 4.04Å; I248-Y312 HydrophobicContact CG2-CG 4.25Å; I248-L332 HydrophobicContact CB-CD2 4.44Å; I248-L332 HydrophobicContact CD1-CD2 4.17Å; I248-L332 HydrophobicContact CG1-CD2 3.95Å
249	I	92.8	Very high	79.7	Confident	36 Å²	36	56.9 Å²	56.9	19%	0.185	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-90.2	130.7	176.8	-56.8	-57.8	0	0	0	110.3	R348 Q352 E355	I249-R348 HydrophobicContact CB-CG 4.5Å; I249-R348 HydrophobicContact CG2-CG 4.28Å; I249-R348 WeakPolarHBondContact O-CD 3.4Å; I249-Q352 HydrophobicContact CB-CB 4.45Å; I249-Q352 HydrophobicContact CG1-CB 4.27Å; I249-E355 HydrophobicContact CD1-CB 4.22Å; I249-E355 HydrophobicContact CD1-CG 4.2Å; I249-E355 HydrophobicContact CG1-CB 4.31Å
250	S	89.7	Confident	81.6	Confident	73 Å²	73	54.2 Å²	54.2	51%	0.51	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-76.2	147.8	173.7	-178	0	0	0	0	110.6	N258	S250-N258 PolarHBondContact OG-ND2 3.29Å; S250-N258 PolarHBondContact OG-OD1 3.38Å
251	L	85.4	Confident	83.3	Confident	19 Å²	19	55 Å²	55	10%	0.099	33%	0.327	C	S	.	.			trans	-69.6	-34.2	-178.9	-173.6	60.1	0	0	0	112.7	D253 L256 N258 R344 R345 R348	L251-D253 HydrophobicContact CD2-CB 3.94Å; L251-D253 HydrophobicContact CG-CB 3.83Å; L251-D253 PolarHBondContact O-N 3.42Å; L251-L256 HydrophobicContact CD2-CB 3.66Å; L251-L256 HydrophobicContact CD2-CD1 4.23Å; L251-N258 WeakPolarHBondContact CA-OD1 3.27Å; L251-N258 WeakPolarHBondContact CB-OD1 3.45Å; L251-N258 PolarHBondContact N-OD1 3.5Å; L251-R344 WeakPolarHBondContact CD1-O 3.49Å; L251-R345 HydrophobicContact CD1-CB 4.19Å; L251-R345 HydrophobicContact CD1-CG 3.91Å; L251-R345 HydrophobicContact CD2-CG 4.47Å; L251-R348 HydrophobicContact CD1-CB 3.81Å
252	G	82.1	Confident	84.6	Confident	58 Å²	58	54.3 Å²	54.3	60%	0.598	31%	0.311	S	S	*	.			trans	63.8	2.9	-179.6	0	0	0	0	0	115.7
253	D	87.5	Confident	85.2	Confident	35 Å²	35	49.8 Å²	49.8	19%	0.187	29%	0.291	C	S	.	.			trans	-69.6	145.7	-178.7	-172.7	-128.1	0	0	0	112	R215 L251 V255 L256 R344	R215-D253 PolarHBondContact NH1-O 3.36Å; R215-D253 PolarHBondContact NH2-O 3.3Å; L251-D253 HydrophobicContact CD2-CB 3.94Å; L251-D253 HydrophobicContact CG-CB 3.83Å; L251-D253 PolarHBondContact O-N 3.42Å; D253-V255 VanDerWaalsContact C-N 3.3Å; D253-V255 PolarHBondContact O-N 3.27Å; D253-V255 PolarHBondContact OD1-N 3.18Å; D253-L256 HydrophobicContact CB-CB 4.19Å; D253-L256 VanDerWaalsContact OD1-CB 3.27Å; D253-L256 WeakPolarHBondContact OD1-CB 3.26Å; D253-L256 VanDerWaalsContact OD1-CG 3.28Å; D253-L256 WeakPolarHBondContact OD1-CG 3.36Å; D253-L256 PolarHBondContact OD1-N 3.25Å; D253-R344 IonicContact OD1-NH1 3.15Å
254	D	86.1	Confident	85.1	Confident	123 Å²	123	51.9 Å²	51.9	66%	0.658	30%	0.302	S	S	*	.	S	Bend	trans	-73.7	-23.5	-177.6	-72.1	-30.8	0	0	0	112.8	F216	F216-D254 WeakPolarHBondContact CE2-O 3.27Å
255	V	88.8	Confident	83.7	Confident	47 Å²	47	56.8 Å²	56.8	29%	0.285	32%	0.324	S	S	.	.	S	Bend	trans	-111.7	-51	-172.9	-179.8	0	0	0	0	111.6	T214 R215 F216 D253 R344	T214-V255 CarbonylContact C-O 3.53Å; T214-V255 WeakPolarHBondContact CA-O 3.37Å; T214-V255 VanDerWaalsContact CB-O 3.32Å; T214-V255 WeakPolarHBondContact CB-O 3.19Å; T214-V255 HydrophobicContact CG2-CG1 4.26Å; R215-V255 PolarHBondContact N-O 2.76Å; F216-V255 HydrophobicContact CD2-CG1 4.45Å; F216-V255 HydrophobicContact CE2-CG2 4.4Å; D253-V255 VanDerWaalsContact C-N 3.3Å; D253-V255 PolarHBondContact O-N 3.27Å; D253-V255 PolarHBondContact OD1-N 3.18Å; V255-R344 VanDerWaalsContact CB-NH1 3.28Å
256	L	88.9	Confident	82.1	Confident	26 Å²	26	60 Å²	60	14%	0.136	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	144.4	-177.2	-63.9	-179.6	0	0	0	111.2	T214 L251 D253 R344	T214-L256 HydrophobicContact CG2-CD2 4.01Å; L251-L256 HydrophobicContact CD2-CB 3.66Å; L251-L256 HydrophobicContact CD2-CD1 4.23Å; D253-L256 HydrophobicContact CB-CB 4.19Å; D253-L256 VanDerWaalsContact OD1-CB 3.27Å; D253-L256 WeakPolarHBondContact OD1-CB 3.26Å; D253-L256 VanDerWaalsContact OD1-CG 3.28Å; D253-L256 WeakPolarHBondContact OD1-CG 3.36Å; D253-L256 PolarHBondContact OD1-N 3.25Å; L256-R344 HydrophobicContact CD1-CB 3.81Å; L256-R344 HydrophobicContact CD1-CG 4.46Å
257	L	86.3	Confident	80.5	Confident	33 Å²	33	68.1 Å²	68.1	17%	0.173	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	154.5	168.8	-66.9	166.1	0	0	0	110.2	K212 C213 R215 N259 I261	K212-L257 HydrophobicContact CB-CD1 4.33Å; K212-L257 WeakPolarHBondContact O-CD1 3.45Å; C213-L257 PolarHBondContact O-N 3.2Å; R215-L257 HydrophobicContact CG-CD2 3.62Å; R215-L257 HydrophobicContact CG-CG 4.23Å; L257-N259 VanDerWaalsContact C-N 3.33Å; L257-N259 VanDerWaalsContact CB-O 3.23Å; L257-N259 WeakPolarHBondContact CB-O 3.23Å; L257-I261 HydrophobicContact CD1-CD1 3.76Å; L257-I261 HydrophobicContact CD1-CG1 4.04Å; L257-I261 HydrophobicContact CD2-CD1 4.2Å
258	N	82.9	Confident	78.9	Confident	62 Å²	62	65.4 Å²	65.4	33%	0.332	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	-45.7	175.5	-80	-23.7	0	0	0	111.9	S250 L251 R348	S250-N258 PolarHBondContact OG-ND2 3.29Å; S250-N258 PolarHBondContact OG-OD1 3.38Å; L251-N258 WeakPolarHBondContact CA-OD1 3.27Å; L251-N258 WeakPolarHBondContact CB-OD1 3.45Å; L251-N258 PolarHBondContact N-OD1 3.5Å; N258-R348 PolarHBondContact O-NH1 3.48Å; N258-R348 VanDerWaalsContact O-NH1 3.07Å
259	N	82.7	Confident	77.7	Confident	32 Å²	32	65.9 Å²	65.9	17%	0.171	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	156.8	178	-67.1	-35.4	0	0	0	108.9	L257 I261 D314	L257-N259 VanDerWaalsContact C-N 3.33Å; L257-N259 VanDerWaalsContact CB-O 3.23Å; L257-N259 WeakPolarHBondContact CB-O 3.23Å; N259-I261 PolarHBondContact O-N 3.03Å; N259-D314 PolarHBondContact ND2-OD1 3.19Å; N259-D314 PolarHBondContact ND2-OD2 3.38Å
260	V	84.5	Confident	77.3	Confident	42 Å²	42	66 Å²	66	26%	0.255	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	125.4	175.3	-178.4	0	0	0	0	109.1	T223 F262	T223-V260 HydrophobicContact CG2-CG1 4.19Å; V260-F262 HydrophobicContact CB-CE2 3.97Å; V260-F262 HydrophobicContact CB-CZ 4.03Å; V260-F262 HydrophobicContact CG1-CD1 4.41Å; V260-F262 HydrophobicContact CG1-CD2 4.46Å; V260-F262 HydrophobicContact CG1-CE1 4.04Å; V260-F262 HydrophobicContact CG1-CE2 4.06Å; V260-F262 HydrophobicContact CG1-CZ 3.83Å; V260-F262 WeakPolarHBondContact O-CD2 3.36Å
261	I	81.4	Confident	77.2	Confident	97 Å²	97	62.8 Å²	62.8	50%	0.497	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	117.2	175.8	-59.5	170.7	0	0	0	107.9	G211 K212 L257 N259	G211-I261 CarbonylContact C-O 3.52Å; G211-I261 WeakPolarHBondContact CA-O 3.18Å; K212-I261 PolarHBondContact N-O 3.28Å; K212-I261 PolarHBondContact O-N 2.95Å; K212-I261 VanDerWaalsContact O-N 3.09Å; L257-I261 HydrophobicContact CD1-CD1 3.76Å; L257-I261 HydrophobicContact CD1-CG1 4.04Å; L257-I261 HydrophobicContact CD2-CD1 4.2Å; N259-I261 PolarHBondContact O-N 3.03Å
262	F	82.7	Confident	77.4	Confident	36 Å²	36	63.7 Å²	63.7	16%	0.158	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	137.8	177.9	-62.8	-84.5	0	0	0	111	A209 L210 T223 V260	A209-F262 HydrophobicContact CB-CD1 3.5Å; A209-F262 VanDerWaalsContact CB-CD1 3.5Å; A209-F262 HydrophobicContact CB-CE1 3.77Å; A209-F262 HydrophobicContact CB-CG 4.49Å; L210-F262 WeakPolarHBondContact O-CA 3.46Å; T223-F262 WeakPolarHBondContact OG1-CE1 3.43Å; V260-F262 HydrophobicContact CB-CE2 3.97Å; V260-F262 HydrophobicContact CB-CZ 4.03Å; V260-F262 HydrophobicContact CG1-CD1 4.41Å; V260-F262 HydrophobicContact CG1-CD2 4.46Å; V260-F262 HydrophobicContact CG1-CE1 4.04Å; V260-F262 HydrophobicContact CG1-CE2 4.06Å; V260-F262 HydrophobicContact CG1-CZ 3.83Å; V260-F262 WeakPolarHBondContact O-CD2 3.36Å
263	S	74.7	Confident	77.9	Confident	52 Å²	52	63.1 Å²	63.1	36%	0.364	34%	0.335	S	S	.	.	S	Bend	trans	-80.6	-33.7	179.7	53.6	0	0	0	0	113.1	L210 E220 I265	L210-S263 PolarHBondContact O-N 2.88Å; L210-S263 PolarHBondContact O-OG 3.2Å; E220-S263 VanDerWaalsContact CD-CB 3.5Å; E220-S263 WeakPolarHBondContact OE1-CB 3.29Å; E220-S263 WeakPolarHBondContact OE2-CB 3.42Å; E220-S263 PolarHBondContact OE2-OG 3.01Å; S263-I265 PolarHBondContact O-N 3.02Å
264	T	65.2	Low	78.1	Confident	81 Å²	81	62.9 Å²	62.9	50%	0.497	34%	0.335	S	S	.	.	S	Bend	trans	-79.7	103.6	171.5	-43.8	0	0	0	0	107.7	E266	T264-E266 HydrophobicContact CG2-CG 4.04Å; T264-E266 PolarHBondContact O-N 3.28Å
265	I	53.9	Low	78.5	Confident	147 Å²	147	57.5 Å²	57.5	75%	0.754	31%	0.305	S	S	*	.			trans	-70.9	71.9	167.5	-51.2	162.7	0	0	0	106.1	S263 E267	S263-I265 PolarHBondContact O-N 3.02Å; I265-E267 PolarHBondContact O-N 3.43Å
266	E	54.5	Low	78.8	Confident	98 Å²	98	55.2 Å²	55.2	46%	0.458	29%	0.292	S	S	.	.			trans	-60.1	128.4	158.4	-69.9	-161	152.6	0	0	105.9	K227 T264 Q268	K227-E266 VanDerWaalsContact NZ-CD 3.32Å; K227-E266 IonicContact NZ-OE1 3.3Å; K227-E266 PolarHBondContact NZ-OE1 2.93Å; K227-E266 IonicContact NZ-OE2 2.76Å; K227-E266 PolarHBondContact NZ-OE2 3.29Å; T264-E266 HydrophobicContact CG2-CG 4.04Å; T264-E266 PolarHBondContact O-N 3.28Å; E266-Q268 PolarHBondContact O-N 3.06Å; E266-Q268 VanDerWaalsContact O-N 3.08Å
267	E	55.9	Low	79.1	Confident	176 Å²	176	54 Å²	54	82%	0.822	29%	0.285	S	S	*	.			trans	-43	119	-178.4	-68.4	177.2	169.3	0	0	109.6	I265 I269	I265-E267 PolarHBondContact O-N 3.43Å; E267-I269 WeakPolarHBondContact O-CG1 3.47Å; E267-I269 PolarHBondContact O-N 3.42Å
268	Q	57.7	Low	79.6	Confident	44 Å²	44	52.5 Å²	52.5	21%	0.206	28%	0.278	C	S	.	.			trans	-63.8	111.3	-178.2	-157.3	169.3	6.1	0	0	107.7	E266 I270 R309 E318	E266-Q268 PolarHBondContact O-N 3.06Å; E266-Q268 VanDerWaalsContact O-N 3.08Å; Q268-I270 PolarHBondContact O-N 3.48Å; Q268-R309 PolarHBondContact NE2-O 3.28Å; Q268-E318 PolarHBondContact NE2-OE2 3.11Å; Q268-E318 VanDerWaalsContact OE1-CB 3.26Å; Q268-E318 PolarHBondContact OE1-OE2 3.41Å
269	I	68.6	Low	80.3	Confident	66 Å²	66	49.6 Å²	49.6	34%	0.338	26%	0.262	S	S	.	.			trans	-76.8	122.6	-171.9	-53.5	178.1	0	0	0	108.2	V228 E267 L271	V228-I269 HydrophobicContact CB-CD1 4.42Å; V228-I269 WeakPolarHBondContact O-CD1 3.48Å; E267-I269 WeakPolarHBondContact O-CG1 3.47Å; E267-I269 PolarHBondContact O-N 3.42Å; I269-L271 HydrophobicContact CG2-CD2 4.2Å; I269-L271 PolarHBondContact O-N 3.48Å
270	I	82.9	Confident	80.9	Confident	38 Å²	38	48.3 Å²	48.3	20%	0.195	26%	0.255	C	S	.	.			trans	-66.8	114.2	170.6	-58.6	166	0	0	0	107.4	R230 N237 Q268 I319 S321	R230-I270 PolarHBondContact NH2-O 3.01Å; N237-I270 HydrophobicContact CB-CB 4.45Å; N237-I270 HydrophobicContact CB-CD1 4.39Å; N237-I270 HydrophobicContact CB-CG2 4.15Å; N237-I270 WeakPolarHBondContact ND2-CB 3.42Å; N237-I270 PolarHBondContact ND2-O 3.07Å; N237-I270 VanDerWaalsContact ND2-O 3.14Å; Q268-I270 PolarHBondContact O-N 3.48Å; I270-I319 HydrophobicContact CD1-CG2 3.75Å; I270-I319 HydrophobicContact CG1-CB 4.41Å; I270-I319 HydrophobicContact CG1-CG2 3.74Å; I270-S321 WeakPolarHBondContact CA-OG 3.36Å
271	L	88.3	Confident	81.5	Confident	6 Å²	6	46.3 Å²	46.3	3%	0.031	24%	0.243	C	C	.	.			trans	-96.2	133.6	178.9	-62.3	177.2	0	0	0	110.4	V228 I269 E275 Q276 I279 T306 A310 S321	V228-L271 HydrophobicContact CB-CD2 4.35Å; V228-L271 HydrophobicContact CG1-CD2 4.27Å; V228-L271 HydrophobicContact CG2-CD2 4.14Å; I269-L271 HydrophobicContact CG2-CD2 4.2Å; I269-L271 PolarHBondContact O-N 3.48Å; L271-E275 WeakPolarHBondContact CA-OE2 3.31Å; L271-E275 HydrophobicContact CB-CB 4.41Å; L271-E275 HydrophobicContact CD2-CB 4.36Å; L271-Q276 HydrophobicContact CB-CG 3.73Å; L271-Q276 HydrophobicContact CD1-CG 4.4Å; L271-Q276 PolarHBondContact O-NE2 2.75Å; L271-I279 HydrophobicContact CD1-CD1 3.76Å; L271-I279 HydrophobicContact CD2-CD1 4.47Å; L271-T306 HydrophobicContact CD1-CG2 4.31Å; L271-A310 HydrophobicContact CB-CB 4.33Å; L271-A310 HydrophobicContact CD1-CB 3.82Å; L271-A310 HydrophobicContact CG-CB 4.19Å; L271-S321 PolarHBondContact N-OG 2.93Å; L271-S321 VanDerWaalsContact N-OG 3.12Å; L271-S321 WeakPolarHBondContact O-CB 3.42Å
272	S	90.1	Very high	82.3	Confident	38 Å²	38	43.1 Å²	43.1	27%	0.266	23%	0.227	S	C	.	.			trans	-71.9	164.6	171.1	81.5	0	0	0	0	111.8	T274 E275 Q276	S272-T274 PolarHBondContact O-N 2.73Å; S272-T274 PolarHBondContact OG-N 3.37Å; S272-T274 PolarHBondContact OG-OG1 3.35Å; S272-E275 PolarHBondContact N-OE2 3.13Å; S272-E275 PolarHBondContact O-N 3.33Å; S272-E275 VanDerWaalsContact OG-CG 3.3Å; S272-E275 WeakPolarHBondContact OG-CG 3.31Å; S272-E275 PolarHBondContact OG-N 3.24Å; S272-E275 VanDerWaalsContact OG-N 3.1Å; S272-Q276 WeakPolarHBondContact O-CB 3.38Å; S272-Q276 WeakPolarHBondContact O-CG 3.26Å; S272-Q276 PolarHBondContact O-N 3.05Å
273	N	91.6	Very high	82.9	Confident	46 Å²	46	41.8 Å²	41.8	25%	0.246	22%	0.222	C	C	.	.	H	α-helix	trans	-57.3	-37	174.8	-76.2	-13.8	0	0	0	112.9	S277 S322 S323 I327	N273-S277 WeakPolarHBondContact O-CB 3.03Å; N273-S277 PolarHBondContact O-N 2.93Å; N273-S277 PolarHBondContact O-OG 3.36Å; N273-S322 PolarHBondContact OD1-O 3.34Å; N273-S323 VanDerWaalsContact OD1-CA 3.26Å; N273-S323 WeakPolarHBondContact OD1-CA 3.34Å; N273-I327 HydrophobicContact CB-CD1 3.67Å; N273-I327 VanDerWaalsContact O-CD1 3.26Å; N273-I327 WeakPolarHBondContact O-CD1 3.06Å
274	T	92.7	Very high	83.9	Confident	31 Å²	31	39.5 Å²	39.5	19%	0.19	21%	0.205	C	C	.	.	H	α-helix	trans	-73.4	-40	178.8	53.2	0	0	0	0	111.4	I170 L200 S272 S277 F278 L377	I170-T274 HydrophobicContact CD1-CG2 4.39Å; I170-T274 HydrophobicContact CG2-CG2 4.41Å; L200-T274 WeakPolarHBondContact CD2-OG1 3.43Å; S272-T274 PolarHBondContact O-N 2.73Å; S272-T274 PolarHBondContact OG-N 3.37Å; S272-T274 PolarHBondContact OG-OG1 3.35Å; T274-S277 PolarHBondContact O-N 2.81Å; T274-F278 WeakPolarHBondContact O-CB 3.36Å; T274-F278 PolarHBondContact O-N 3.38Å; T274-L377 HydrophobicContact CG2-CD1 4.01Å
275	E	93.9	Very high	85.3	Confident	9 Å²	9	36 Å²	36	4%	0.042	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-45.9	174	-67.5	174.1	146.1	0	0	111.1	I202 R230 L271 S272 S277 F278 I279	I202-E275 HydrophobicContact CD1-CB 4.39Å; I202-E275 HydrophobicContact CD1-CG 4.15Å; I202-E275 HydrophobicContact CG2-CG 4.24Å; I202-E275 WeakPolarHBondContact CG2-OE1 3.42Å; R230-E275 IonicContact CZ-OE1 3.13Å; R230-E275 IonicContact NE-OE1 2.65Å; R230-E275 PolarHBondContact NE-OE1 2.92Å; R230-E275 IonicContact NH2-OE1 3.5Å; R230-E275 PolarHBondContact NH2-OE1 2.94Å; R230-E275 VanDerWaalsContact NH2-OE1 3.12Å; R230-E275 IonicContact NH2-OE2 3.56Å; R230-E275 PolarHBondContact NH2-OE2 3.42Å; L271-E275 WeakPolarHBondContact CA-OE2 3.31Å; L271-E275 HydrophobicContact CB-CB 4.41Å; L271-E275 HydrophobicContact CD2-CB 4.36Å; S272-E275 PolarHBondContact N-OE2 3.13Å; S272-E275 PolarHBondContact O-N 3.33Å; S272-E275 VanDerWaalsContact OG-CG 3.3Å; S272-E275 WeakPolarHBondContact OG-CG 3.31Å; S272-E275 PolarHBondContact OG-N 3.24Å; S272-E275 VanDerWaalsContact OG-N 3.1Å; E275-S277 PolarHBondContact O-N 3.44Å; E275-F278 PolarHBondContact O-N 3.48Å; E275-I279 WeakPolarHBondContact O-CG1 3.47Å; E275-I279 PolarHBondContact O-N 3.05Å
276	Q	94.9	Very high	87.2	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.1	-48.1	175.4	-68.5	167.1	33.5	0	0	111.1	L271 S272 F278 I279 L280 V307 S322 S323 I327	L271-Q276 HydrophobicContact CB-CG 3.73Å; L271-Q276 HydrophobicContact CD1-CG 4.4Å; L271-Q276 PolarHBondContact O-NE2 2.75Å; S272-Q276 WeakPolarHBondContact O-CB 3.38Å; S272-Q276 WeakPolarHBondContact O-CG 3.26Å; S272-Q276 PolarHBondContact O-N 3.05Å; Q276-F278 VanDerWaalsContact C-N 3.34Å; Q276-F278 PolarHBondContact O-N 3.34Å; Q276-I279 PolarHBondContact O-N 3.11Å; Q276-L280 WeakPolarHBondContact O-CG 3.49Å; Q276-L280 PolarHBondContact O-N 2.67Å; Q276-L280 VanDerWaalsContact O-N 3.13Å; Q276-V307 HydrophobicContact CB-CG1 4.17Å; Q276-V307 HydrophobicContact CG-CG1 4.32Å; Q276-S322 PolarHBondContact NE2-O 2.74Å; Q276-S322 VanDerWaalsContact NE2-O 3.1Å; Q276-S323 PolarHBondContact OE1-OG 2.96Å; Q276-I327 HydrophobicContact CB-CG2 3.88Å
277	S	95.8	Very high	88.9	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.2	-37.7	179.6	-56.9	0	0	0	0	112.2	M174 N273 T274 E275 L280 L281 I327	M174-S277 VanDerWaalsContact CE-O 3.25Å; M174-S277 WeakPolarHBondContact CE-O 3.41Å; N273-S277 WeakPolarHBondContact O-CB 3.03Å; N273-S277 PolarHBondContact O-N 2.93Å; N273-S277 PolarHBondContact O-OG 3.36Å; T274-S277 PolarHBondContact O-N 2.81Å; E275-S277 PolarHBondContact O-N 3.44Å; S277-L280 PolarHBondContact O-N 2.87Å; S277-L281 PolarHBondContact O-N 3.04Å; S277-I327 VanDerWaalsContact OG-CD1 3.26Å; S277-I327 WeakPolarHBondContact OG-CD1 3.47Å; S277-I327 WeakPolarHBondContact OG-CG1 3.49Å
278	F	96.9	Very high	90.5	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.009	11%	0.109	C	C	.	.	H	α-helix	trans	-64.6	-39.4	176	-178.8	-111.4	0	0	0	112	A193 C196 L200 I202 V204 T274 E275 Q276 L280 L281 L282	A193-F278 WeakPolarHBondContact O-CE2 3.35Å; A193-F278 WeakPolarHBondContact O-CZ 3.26Å; C196-F278 HydrophobicContact CB-CD2 4.07Å; C196-F278 HydrophobicContact CB-CE2 3.73Å; C196-F278 VanDerWaalsContact SG-CD2 3.57Å; L200-F278 HydrophobicContact CD1-CB 3.61Å; L200-F278 HydrophobicContact CD1-CD1 4.06Å; L200-F278 HydrophobicContact CD1-CD2 4.24Å; L200-F278 HydrophobicContact CD1-CG 3.71Å; I202-F278 HydrophobicContact CD1-CD1 3.61Å; I202-F278 HydrophobicContact CD1-CE1 4.13Å; I202-F278 HydrophobicContact CG1-CD1 4.34Å; I202-F278 HydrophobicContact CG1-CE1 4.42Å; V204-F278 HydrophobicContact CG2-CD1 4.39Å; V204-F278 HydrophobicContact CG2-CE1 4.25Å; T274-F278 WeakPolarHBondContact O-CB 3.36Å; T274-F278 PolarHBondContact O-N 3.38Å; E275-F278 PolarHBondContact O-N 3.48Å; Q276-F278 VanDerWaalsContact C-N 3.34Å; Q276-F278 PolarHBondContact O-N 3.34Å; F278-L280 VanDerWaalsContact C-N 3.34Å; F278-L280 PolarHBondContact O-N 3.36Å; F278-L281 HydrophobicContact CD2-CD2 4.25Å; F278-L281 WeakPolarHBondContact O-CB 3.44Å; F278-L281 PolarHBondContact O-N 3.32Å; F278-L282 HydrophobicContact CD1-CD1 4.03Å; F278-L282 HydrophobicContact CD1-CG 4.32Å; F278-L282 HydrophobicContact CE1-CD1 3.63Å; F278-L282 HydrophobicContact CE1-CD2 4.3Å; F278-L282 HydrophobicContact CE1-CG 4.01Å; F278-L282 HydrophobicContact CE2-CD2 4.32Å; F278-L282 HydrophobicContact CE2-CG 4.43Å; F278-L282 HydrophobicContact CZ-CD1 4.12Å; F278-L282 HydrophobicContact CZ-CD2 3.91Å; F278-L282 HydrophobicContact CZ-CG 4.06Å; F278-L282 WeakPolarHBondContact O-CG 3.38Å; F278-L282 PolarHBondContact O-N 3.13Å
279	I	96.6	Very high	91.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.1	-40.8	174.2	-66.4	163.6	0	0	0	111.1	V204 V228 L271 E275 Q276 L281 L282 C283 Y303 T306 V307	V204-I279 HydrophobicContact CG2-CG1 4.42Å; V228-I279 HydrophobicContact CG2-CD1 3.88Å; L271-I279 HydrophobicContact CD1-CD1 3.76Å; L271-I279 HydrophobicContact CD2-CD1 4.47Å; E275-I279 WeakPolarHBondContact O-CG1 3.47Å; E275-I279 PolarHBondContact O-N 3.05Å; Q276-I279 PolarHBondContact O-N 3.11Å; I279-L281 VanDerWaalsContact C-N 3.33Å; I279-L281 PolarHBondContact O-N 2.63Å; I279-L282 PolarHBondContact O-N 2.84Å; I279-C283 PolarHBondContact O-N 3.41Å; I279-Y303 HydrophobicContact CG2-CD1 3.91Å; I279-Y303 HydrophobicContact CG2-CG 4.36Å; I279-Y303 WeakPolarHBondContact CG2-O 3.49Å; I279-T306 HydrophobicContact CD1-CG2 4.36Å; I279-V307 HydrophobicContact CB-CG2 3.84Å; I279-V307 HydrophobicContact CD1-CG2 4.35Å; I279-V307 HydrophobicContact CG2-CG2 3.6Å
280	L	97	Very high	92.6	Very high	5 Å²	5	25 Å²	25	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-64.1	-37.6	173.7	-64.7	173.8	0	0	0	112.1	Q276 S277 F278 C283 E284 V307 I327 E330 T331	Q276-L280 WeakPolarHBondContact O-CG 3.49Å; Q276-L280 PolarHBondContact O-N 2.67Å; Q276-L280 VanDerWaalsContact O-N 3.13Å; S277-L280 PolarHBondContact O-N 2.87Å; F278-L280 VanDerWaalsContact C-N 3.34Å; F278-L280 PolarHBondContact O-N 3.36Å; L280-C283 WeakPolarHBondContact O-CB 3.48Å; L280-C283 PolarHBondContact O-N 3.37Å; L280-E284 PolarHBondContact O-N 3.45Å; L280-E284 VanDerWaalsContact O-N 3.09Å; L280-V307 HydrophobicContact CD2-CG2 4.35Å; L280-V307 HydrophobicContact CG-CG2 4.41Å; L280-I327 HydrophobicContact CD1-CG2 4Å; L280-E330 HydrophobicContact CD1-CB 4.23Å; L280-E330 HydrophobicContact CD1-CG 3.93Å; L280-T331 WeakPolarHBondContact CD1-OG1 3.25Å; L280-T331 HydrophobicContact CD2-CG2 4.36Å
281	L	97.2	Very high	92.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.5	-50.4	170.9	175.1	65.1	0	0	0	111	M174 S277 F278 I279 C283 E284 L285	M174-L281 HydrophobicContact CB-CD2 3.96Å; M174-L281 HydrophobicContact CE-CB 3.91Å; M174-L281 HydrophobicContact CE-CD2 4.13Å; M174-L281 HydrophobicContact CG-CD2 3.87Å; S277-L281 PolarHBondContact O-N 3.04Å; F278-L281 HydrophobicContact CD2-CD2 4.25Å; F278-L281 WeakPolarHBondContact O-CB 3.44Å; F278-L281 PolarHBondContact O-N 3.32Å; I279-L281 VanDerWaalsContact C-N 3.33Å; I279-L281 PolarHBondContact O-N 2.63Å; L281-C283 VanDerWaalsContact C-N 3.26Å; L281-C283 PolarHBondContact O-N 2.83Å; L281-E284 PolarHBondContact O-N 3.46Å; L281-L285 HydrophobicContact CD1-CD1 4.29Å; L281-L285 HydrophobicContact CD1-CD2 4.1Å; L281-L285 HydrophobicContact CD1-CG 3.97Å; L281-L285 HydrophobicContact CG-CD1 4.07Å; L281-L285 HydrophobicContact CG-CG 4.15Å; L281-L285 VanDerWaalsContact O-CG 3.3Å; L281-L285 WeakPolarHBondContact O-CG 3.11Å; L281-L285 PolarHBondContact O-N 3.29Å
282	L	97.2	Very high	91.9	Very high	30 Å²	30	35.9 Å²	35.9	16%	0.157	17%	0.165	C	C	.	.	H	α-helix	trans	-56.4	-41	177.4	-69.2	178.6	0	0	0	111.9	V204 F278 I279 E284 L285 H286 Y303	V204-L282 HydrophobicContact CB-CD1 3.66Å; V204-L282 HydrophobicContact CG1-CD1 3.87Å; V204-L282 HydrophobicContact CG2-CD1 3.87Å; F278-L282 HydrophobicContact CD1-CD1 4.03Å; F278-L282 HydrophobicContact CD1-CG 4.32Å; F278-L282 HydrophobicContact CE1-CD1 3.63Å; F278-L282 HydrophobicContact CE1-CD2 4.3Å; F278-L282 HydrophobicContact CE1-CG 4.01Å; F278-L282 HydrophobicContact CE2-CD2 4.32Å; F278-L282 HydrophobicContact CE2-CG 4.43Å; F278-L282 HydrophobicContact CZ-CD1 4.12Å; F278-L282 HydrophobicContact CZ-CD2 3.91Å; F278-L282 HydrophobicContact CZ-CG 4.06Å; F278-L282 WeakPolarHBondContact O-CG 3.38Å; F278-L282 PolarHBondContact O-N 3.13Å; I279-L282 PolarHBondContact O-N 2.84Å; L282-E284 PolarHBondContact O-N 3.36Å; L282-L285 PolarHBondContact O-N 2.96Å; L282-H286 VanDerWaalsContact O-CB 3.25Å; L282-H286 WeakPolarHBondContact O-CB 3.46Å; L282-H286 PolarHBondContact O-N 3.46Å; L282-Y303 HydrophobicContact CB-CE1 4.21Å; L282-Y303 HydrophobicContact CD1-CE1 4.41Å
283	C	96.2	Very high	91.6	Very high	8 Å²	8	37 Å²	37	5%	0.054	17%	0.167	C	C	.	.	H	α-helix	trans	-57.6	-48.5	173.9	-179.6	0	0	0	0	112.2	I279 L280 L281 H286 R287 C300 Y303	I279-C283 PolarHBondContact O-N 3.41Å; L280-C283 WeakPolarHBondContact O-CB 3.48Å; L280-C283 PolarHBondContact O-N 3.37Å; L281-C283 VanDerWaalsContact C-N 3.26Å; L281-C283 PolarHBondContact O-N 2.83Å; C283-H286 PolarHBondContact O-N 3.16Å; C283-R287 WeakPolarHBondContact O-CB 3.47Å; C283-R287 PolarHBondContact O-N 2.94Å; C283-C300 PolarHBondContact O-SG 3.15Å; C283-C300 PolarHBondContact SG-O 3.27Å; C283-Y303 HydrophobicContact CB-CD2 3.99Å; C283-Y303 HydrophobicContact CB-CG 4.16Å
284	E	94	Very high	91.3	Very high	4 Å²	4	41 Å²	41	2%	0.019	19%	0.189	C	C	.	.	H	α-helix	trans	-68.9	-36.5	-179.8	177.4	60.6	-171.4	0	0	112.3	Y178 L280 L281 L282 R287 R288 R334	Y178-E284 HydrophobicContact CD2-CG 4.02Å; Y178-E284 HydrophobicContact CE2-CG 3.85Å; L280-E284 PolarHBondContact O-N 3.45Å; L280-E284 VanDerWaalsContact O-N 3.09Å; L281-E284 PolarHBondContact O-N 3.46Å; L282-E284 PolarHBondContact O-N 3.36Å; E284-R287 VanDerWaalsContact CD-NH2 3.29Å; E284-R287 IonicContact OE1-CZ 2.93Å; E284-R287 IonicContact OE1-NE 3.26Å; E284-R287 IonicContact OE1-NH2 2.69Å; E284-R287 PolarHBondContact OE1-NH2 3.05Å; E284-R287 IonicContact OE2-CZ 2.74Å; E284-R287 IonicContact OE2-NE 3.58Å; E284-R287 PolarHBondContact OE2-NE 3.23Å; E284-R287 IonicContact OE2-NH2 3.63Å; E284-R287 PolarHBondContact OE2-NH2 2.78Å; E284-R288 WeakPolarHBondContact O-CG 3.45Å; E284-R288 PolarHBondContact O-N 3.39Å; E284-R288 IonicContact OE1-CZ 2.9Å; E284-R288 IonicContact OE1-NE 2.82Å; E284-R288 PolarHBondContact OE1-NE 3.24Å; E284-R288 IonicContact OE1-NH2 2.78Å; E284-R288 PolarHBondContact OE1-NH2 3.47Å; E284-R288 VanDerWaalsContact OE1-NH2 3.08Å; E284-R334 IonicContact OE2-CZ 3.21Å; E284-R334 IonicContact OE2-NH1 2.65Å
285	L	95.2	Very high	91.1	Very high	9 Å²	9	44.6 Å²	44.6	5%	0.047	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-48.8	172.8	-65.2	-175.7	0	0	0	110.2	S177 A181 S189 A193 L281 L282 R287 R288 H289	S177-L285 WeakPolarHBondContact OG-CD1 3.32Å; A181-L285 HydrophobicContact CB-CD2 3.63Å; S189-L285 VanDerWaalsContact OG-CD2 3.24Å; S189-L285 WeakPolarHBondContact OG-CD2 3.39Å; A193-L285 HydrophobicContact CB-CD1 3.8Å; L281-L285 HydrophobicContact CD1-CD1 4.29Å; L281-L285 HydrophobicContact CD1-CD2 4.1Å; L281-L285 HydrophobicContact CD1-CG 3.97Å; L281-L285 HydrophobicContact CG-CD1 4.07Å; L281-L285 HydrophobicContact CG-CG 4.15Å; L281-L285 VanDerWaalsContact O-CG 3.3Å; L281-L285 WeakPolarHBondContact O-CG 3.11Å; L281-L285 PolarHBondContact O-N 3.29Å; L282-L285 PolarHBondContact O-N 2.96Å; L285-R287 VanDerWaalsContact C-N 3.3Å; L285-R287 PolarHBondContact O-N 3.08Å; L285-R288 WeakPolarHBondContact O-CA 3.37Å; L285-R288 PolarHBondContact O-N 2.99Å; L285-H289 PolarHBondContact O-N 2.85Å; L285-H289 PolarHBondContact O-ND1 3.46Å
286	H	93.3	Very high	90.9	Very high	18 Å²	18	44.6 Å²	44.6	8%	0.083	21%	0.207	C	C	.	.	H	α-helix	trans	-55.3	-47.7	179	-162.4	85.8	0	0	0	110.9	L282 C283 R288 H289 Y290 Q299 Y303	L282-H286 VanDerWaalsContact O-CB 3.25Å; L282-H286 WeakPolarHBondContact O-CB 3.46Å; L282-H286 PolarHBondContact O-N 3.46Å; C283-H286 PolarHBondContact O-N 3.16Å; H286-R288 PolarHBondContact O-N 3.48Å; H286-R288 VanDerWaalsContact O-N 3.1Å; H286-H289 PolarHBondContact O-N 2.98Å; H286-Y290 HydrophobicContact CB-CD2 4.49Å; H286-Y290 AromaticContact CD2-CD2 3.82Å; H286-Y290 AromaticContact CE1-CD2 3.34Å; H286-Y290 WeakPolarHBondContact CE1-CD2 3.13Å; H286-Y290 AromaticContact CE1-CE2 3.25Å; H286-Y290 WeakPolarHBondContact CE1-CE2 3.48Å; H286-Y290 AromaticContact CG-CD2 3.71Å; H286-Y290 AromaticContact CG-CE2 4Å; H286-Y290 AromaticContact ND1-CD2 3.45Å; H286-Y290 WeakPolarHBondContact ND1-CD2 3.38Å; H286-Y290 AromaticContact ND1-CE2 3.26Å; H286-Y290 VanDerWaalsContact ND1-CE2 3.26Å; H286-Y290 WeakPolarHBondContact ND1-CE2 3.49Å; H286-Y290 AromaticContact NE2-CD2 3.57Å; H286-Y290 AromaticContact NE2-CE2 3.97Å; H286-Y290 VanDerWaalsContact O-CD2 3.3Å; H286-Y290 WeakPolarHBondContact O-CD2 3.42Å; H286-Y290 PolarHBondContact O-N 3.37Å; H286-Y290 VanDerWaalsContact O-N 3.13Å; H286-Q299 PolarHBondContact CE1-OE1 3.49Å; H286-Q299 PolarHBondContact NE2-OE1 2.88Å; H286-Y303 HydrophobicContact CB-CE2 4.13Å
287	R	91.5	Very high	90.7	Very high	67 Å²	67	46.7 Å²	46.7	25%	0.253	22%	0.216	S	C	.	.	H	α-helix	trans	-59.1	-23.7	175.7	-163.5	-166.3	61.4	70.6	-4.6	114.5	C283 E284 L285	C283-R287 WeakPolarHBondContact O-CB 3.47Å; C283-R287 PolarHBondContact O-N 2.94Å; E284-R287 VanDerWaalsContact CD-NH2 3.29Å; E284-R287 IonicContact OE1-CZ 2.93Å; E284-R287 IonicContact OE1-NE 3.26Å; E284-R287 IonicContact OE1-NH2 2.69Å; E284-R287 PolarHBondContact OE1-NH2 3.05Å; E284-R287 IonicContact OE2-CZ 2.74Å; E284-R287 IonicContact OE2-NE 3.58Å; E284-R287 PolarHBondContact OE2-NE 3.23Å; E284-R287 IonicContact OE2-NH2 3.63Å; E284-R287 PolarHBondContact OE2-NH2 2.78Å; L285-R287 VanDerWaalsContact C-N 3.3Å; L285-R287 PolarHBondContact O-N 3.08Å
288	R	89.6	Confident	90.5	Very high	36 Å²	36	51.4 Å²	51.4	14%	0.136	24%	0.238	C	C	.	.	H	α-helix	trans	-98	-26.8	-179.1	-73.7	-179.1	178.7	-90.1	-4	114.1	Y186 E284 L285 H286	Y186-R288 VanDerWaalsContact CE1-O 3.3Å; Y186-R288 WeakPolarHBondContact CE1-O 3.37Å; Y186-R288 PolarHBondContact OH-O 3.42Å; E284-R288 WeakPolarHBondContact O-CG 3.45Å; E284-R288 PolarHBondContact O-N 3.39Å; E284-R288 IonicContact OE1-CZ 2.9Å; E284-R288 IonicContact OE1-NE 2.82Å; E284-R288 PolarHBondContact OE1-NE 3.24Å; E284-R288 IonicContact OE1-NH2 2.78Å; E284-R288 PolarHBondContact OE1-NH2 3.47Å; E284-R288 VanDerWaalsContact OE1-NH2 3.08Å; L285-R288 WeakPolarHBondContact O-CA 3.37Å; L285-R288 PolarHBondContact O-N 2.99Å; H286-R288 PolarHBondContact O-N 3.48Å; H286-R288 VanDerWaalsContact O-N 3.1Å
289	H	86.1	Confident	90.4	Very high	53 Å²	53	53.4 Å²	53.4	25%	0.245	25%	0.248	C	C	.	.	H	α-helix	trans	-87.9	-21.6	-179.3	-73.8	83.9	0	0	0	112.9	Y186 L285 H286	Y186-H289 AromaticContact CD1-CD2 3.57Å; Y186-H289 AromaticContact CD1-CG 3.98Å; Y186-H289 AromaticContact CD1-NE2 3.64Å; Y186-H289 PolarHBondContact O-NE2 2.99Å; L285-H289 PolarHBondContact O-N 2.85Å; L285-H289 PolarHBondContact O-ND1 3.46Å; H286-H289 PolarHBondContact O-N 2.98Å
290	Y	84.7	Confident	90.4	Very high	124 Å²	124	53.4 Å²	53.4	49%	0.486	25%	0.248	S	C	.	.	S	Bend	trans	-116.5	150.9	-176.5	-65.1	-77.9	0	0	0	110.9	H286	H286-Y290 HydrophobicContact CB-CD2 4.49Å; H286-Y290 AromaticContact CD2-CD2 3.82Å; H286-Y290 AromaticContact CE1-CD2 3.34Å; H286-Y290 WeakPolarHBondContact CE1-CD2 3.13Å; H286-Y290 AromaticContact CE1-CE2 3.25Å; H286-Y290 WeakPolarHBondContact CE1-CE2 3.48Å; H286-Y290 AromaticContact CG-CD2 3.71Å; H286-Y290 AromaticContact CG-CE2 4Å; H286-Y290 AromaticContact ND1-CD2 3.45Å; H286-Y290 WeakPolarHBondContact ND1-CD2 3.38Å; H286-Y290 AromaticContact ND1-CE2 3.26Å; H286-Y290 VanDerWaalsContact ND1-CE2 3.26Å; H286-Y290 WeakPolarHBondContact ND1-CE2 3.49Å; H286-Y290 AromaticContact NE2-CD2 3.57Å; H286-Y290 AromaticContact NE2-CE2 3.97Å; H286-Y290 VanDerWaalsContact O-CD2 3.3Å; H286-Y290 WeakPolarHBondContact O-CD2 3.42Å; H286-Y290 PolarHBondContact O-N 3.37Å; H286-Y290 VanDerWaalsContact O-N 3.13Å
291	P	77.7	Confident	90.2	Very high	60 Å²	60	53.5 Å²	53.5	39%	0.39	25%	0.248	S	C	.	.			trans	-62.8	155.8	177.9	26.5	-35.4	0	0	0	111.3	D293 T296	P291-D293 PolarHBondContact O-N 3.26Å; P291-T296 WeakPolarHBondContact O-CB 3.23Å; P291-T296 PolarHBondContact O-OG1 2.85Å
292	R	78.5	Confident	90.1	Very high	214 Å²	214	53.8 Å²	53.8	81%	0.808	25%	0.251	S	S	*	.	S	Bend	trans	-74.7	93.9	174.7	-63.8	-174.2	-173.4	-172.3	2.1	109.7
293	D	82.3	Confident	90	Very high	61 Å²	61	53.2 Å²	53.2	33%	0.326	25%	0.246	S	C	.	.			trans	-129.7	166.5	171.9	69.5	-4.2	0	0	0	111.2	P291 I295 T296 E297	P291-D293 PolarHBondContact O-N 3.26Å; D293-I295 PolarHBondContact O-N 3.49Å; D293-T296 PolarHBondContact O-N 2.97Å; D293-T296 WeakPolarHBondContact OD1-CA 3.35Å; D293-T296 WeakPolarHBondContact OD1-CB 3.45Å; D293-T296 PolarHBondContact OD1-N 3.15Å; D293-T296 PolarHBondContact OD1-OG1 2.71Å; D293-E297 PolarHBondContact O-N 3.14Å
294	D	85.8	Confident	90	Very high	129 Å²	129	52.8 Å²	52.8	69%	0.69	24%	0.244	S	C	*	.	H	α-helix	trans	-59.7	-31.3	-178.6	-67.7	-15.6	0	0	0	111.9	Q298	D294-Q298 WeakPolarHBondContact O-CG 3.44Å; D294-Q298 PolarHBondContact O-N 3.22Å
295	I	88.6	Confident	89.9	Confident	108 Å²	108	55.3 Å²	55.3	55%	0.554	26%	0.257	S	S	*	.	H	α-helix	trans	-68.6	-48.3	179.9	-61.6	174.2	0	0	0	110.5	D293 E297 Q298 Q299	D293-I295 PolarHBondContact O-N 3.49Å; I295-E297 VanDerWaalsContact C-N 3.29Å; I295-E297 PolarHBondContact O-N 3.48Å; I295-Q298 PolarHBondContact O-N 3.16Å; I295-Q299 HydrophobicContact CG2-CG 4.48Å; I295-Q299 WeakPolarHBondContact O-CB 3.47Å; I295-Q299 WeakPolarHBondContact O-CG 3.34Å; I295-Q299 PolarHBondContact O-N 2.97Å
296	T	89.8	Confident	89.8	Confident	9 Å²	9	56 Å²	56	6%	0.055	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-40.5	177.5	-60.8	0	0	0	0	110.1	P291 D293 Q298 Q299 C300	P291-T296 WeakPolarHBondContact O-CB 3.23Å; P291-T296 PolarHBondContact O-OG1 2.85Å; D293-T296 PolarHBondContact O-N 2.97Å; D293-T296 WeakPolarHBondContact OD1-CA 3.35Å; D293-T296 WeakPolarHBondContact OD1-CB 3.45Å; D293-T296 PolarHBondContact OD1-N 3.15Å; D293-T296 PolarHBondContact OD1-OG1 2.71Å; T296-Q298 PolarHBondContact O-N 3.46Å; T296-Q299 PolarHBondContact O-N 2.87Å; T296-C300 WeakPolarHBondContact O-CB 3.5Å; T296-C300 PolarHBondContact O-N 3.17Å; T296-C300 PolarHBondContact O-SG 2.94Å; T296-C300 VanDerWaalsContact O-SG 3.34Å
297	E	91.4	Very high	89.8	Confident	43 Å²	43	55.2 Å²	55.2	20%	0.201	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-45.1	174.1	-70.4	-171.2	179.7	0	0	112.2	D293 I295 Q299 C300 L301 N341	D293-E297 PolarHBondContact O-N 3.14Å; I295-E297 VanDerWaalsContact C-N 3.29Å; I295-E297 PolarHBondContact O-N 3.48Å; E297-Q299 PolarHBondContact O-N 2.9Å; E297-C300 PolarHBondContact O-N 3.41Å; E297-L301 WeakPolarHBondContact O-CB 3.08Å; E297-L301 WeakPolarHBondContact O-CG 3.49Å; E297-L301 PolarHBondContact O-N 3.12Å; E297-N341 VanDerWaalsContact CD-ND2 3.33Å; E297-N341 PolarHBondContact OE1-ND2 2.89Å; E297-N341 PolarHBondContact OE2-ND2 3.45Å
298	Q	91.6	Very high	89.8	Confident	99 Å²	99	52 Å²	52	46%	0.463	25%	0.246	S	C	.	.	H	α-helix	trans	-65.6	-36.9	175.9	-68.1	-44.9	-58.4	0	0	112.8	D294 I295 T296 L301 A302	D294-Q298 WeakPolarHBondContact O-CG 3.44Å; D294-Q298 PolarHBondContact O-N 3.22Å; I295-Q298 PolarHBondContact O-N 3.16Å; T296-Q298 PolarHBondContact O-N 3.46Å; Q298-L301 PolarHBondContact O-N 3.2Å; Q298-A302 PolarHBondContact O-N 3.46Å
299	Q	94.8	Very high	89.8	Confident	44 Å²	44	53.9 Å²	53.9	21%	0.206	25%	0.253	C	S	.	.	H	α-helix	trans	-65.3	-44.9	175.9	-77.1	170.5	-24.2	0	0	111.7	F206 L224 H286 I295 T296 E297 A302 Y303	F206-Q299 HydrophobicContact CE1-CB 3.93Å; F206-Q299 HydrophobicContact CE1-CG 4.06Å; F206-Q299 HydrophobicContact CE2-CB 4.48Å; F206-Q299 HydrophobicContact CE2-CG 4.32Å; F206-Q299 HydrophobicContact CZ-CB 3.66Å; F206-Q299 HydrophobicContact CZ-CG 3.87Å; L224-Q299 HydrophobicContact CD2-CB 4.33Å; L224-Q299 HydrophobicContact CD2-CG 3.68Å; H286-Q299 PolarHBondContact CE1-OE1 3.49Å; H286-Q299 PolarHBondContact NE2-OE1 2.88Å; I295-Q299 HydrophobicContact CG2-CG 4.48Å; I295-Q299 WeakPolarHBondContact O-CB 3.47Å; I295-Q299 WeakPolarHBondContact O-CG 3.34Å; I295-Q299 PolarHBondContact O-N 2.97Å; T296-Q299 PolarHBondContact O-N 2.87Å; E297-Q299 PolarHBondContact O-N 2.9Å; Q299-A302 WeakPolarHBondContact O-CB 3.43Å; Q299-A302 PolarHBondContact O-N 2.97Å; Q299-Y303 WeakPolarHBondContact O-CD2 3.48Å; Q299-Y303 PolarHBondContact O-N 3.44Å
300	C	95.5	Very high	89.9	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.007	24%	0.244	C	C	.	.	H	α-helix	trans	-61.8	-42.3	173.5	-71.6	0	0	0	0	111.8	C283 T296 E297 A302 Y303 I304 L338	C283-C300 PolarHBondContact O-SG 3.15Å; C283-C300 PolarHBondContact SG-O 3.27Å; T296-C300 WeakPolarHBondContact O-CB 3.5Å; T296-C300 PolarHBondContact O-N 3.17Å; T296-C300 PolarHBondContact O-SG 2.94Å; T296-C300 VanDerWaalsContact O-SG 3.34Å; E297-C300 PolarHBondContact O-N 3.41Å; C300-A302 VanDerWaalsContact C-N 3.3Å; C300-A302 PolarHBondContact O-N 2.84Å; C300-Y303 PolarHBondContact O-N 3.29Å; C300-I304 WeakPolarHBondContact O-CG1 3.3Å; C300-I304 PolarHBondContact O-N 3.45Å; C300-L338 HydrophobicContact CB-CD1 3.48Å; C300-L338 VanDerWaalsContact CB-CD1 3.48Å; C300-L338 HydrophobicContact CB-CD2 4.33Å
301	L	94.2	Very high	90.2	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-61.7	-36.3	174.2	-79.7	170.9	0	0	0	112.4	E297 Q298 I304 N305 L338 E339	E297-L301 WeakPolarHBondContact O-CB 3.08Å; E297-L301 WeakPolarHBondContact O-CG 3.49Å; E297-L301 PolarHBondContact O-N 3.12Å; Q298-L301 PolarHBondContact O-N 3.2Å; L301-I304 PolarHBondContact O-N 3.17Å; L301-N305 VanDerWaalsContact O-CB 3.29Å; L301-N305 WeakPolarHBondContact O-CB 3.45Å; L301-N305 PolarHBondContact O-N 3.1Å; L301-N305 PolarHBondContact O-ND2 3.39Å; L301-L338 HydrophobicContact CD1-CB 4.44Å; L301-L338 HydrophobicContact CD2-CB 3.58Å; L301-L338 HydrophobicContact CD2-CD1 3.92Å; L301-L338 HydrophobicContact CD2-CG 4.43Å; L301-L338 HydrophobicContact CG-CB 3.83Å; L301-L338 HydrophobicContact CG-CD1 3.82Å; L301-L338 HydrophobicContact CG-CG 4.49Å; L301-E339 HydrophobicContact CD2-CG 4.02Å
302	A	94.1	Very high	90.7	Very high	6 Å²	6	44.3 Å²	44.3	5%	0.05	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-42.3	177.3	0	0	0	0	0	111.9	F206 L224 V226 Q298 Q299 C300 N305 T306	F206-A302 HydrophobicContact CE1-CB 4.35Å; L224-A302 HydrophobicContact CD2-CB 3.98Å; L224-A302 HydrophobicContact CG-CB 3.99Å; V226-A302 HydrophobicContact CG2-CB 3.92Å; Q298-A302 PolarHBondContact O-N 3.46Å; Q299-A302 WeakPolarHBondContact O-CB 3.43Å; Q299-A302 PolarHBondContact O-N 2.97Å; C300-A302 VanDerWaalsContact C-N 3.3Å; C300-A302 PolarHBondContact O-N 2.84Å; A302-N305 PolarHBondContact O-N 3.48Å; A302-T306 PolarHBondContact O-N 2.86Å; A302-T306 VanDerWaalsContact O-N 3.08Å; A302-T306 PolarHBondContact O-OG1 3.29Å
303	Y	95.9	Very high	91	Very high	17 Å²	17	35.8 Å²	35.8	7%	0.067	18%	0.18	C	C	.	.	H	α-helix	trans	-59.1	-48.5	173.1	-72.5	-58.8	0	0	0	112.1	V204 F206 V226 I279 L282 C283 H286 Q299 C300 T306 V307	V204-Y303 HydrophobicContact CG1-CD1 4.34Å; V204-Y303 HydrophobicContact CG1-CE1 3.8Å; F206-Y303 HydrophobicContact CE1-CD2 4.37Å; F206-Y303 HydrophobicContact CE1-CE1 4.35Å; F206-Y303 AromaticContact CE1-CE2 3.94Å; F206-Y303 HydrophobicContact CE1-CE2 3.94Å; F206-Y303 AromaticContact CE1-CZ 3.91Å; F206-Y303 HydrophobicContact CE2-CE2 4.2Å; F206-Y303 AromaticContact CE2-CZ 3.94Å; F206-Y303 WeakPolarHBondContact CE2-OH 3.21Å; F206-Y303 HydrophobicContact CZ-CD2 4.13Å; F206-Y303 HydrophobicContact CZ-CE1 4.21Å; F206-Y303 AromaticContact CZ-CE2 3.33Å; F206-Y303 HydrophobicContact CZ-CE2 3.33Å; F206-Y303 AromaticContact CZ-CZ 3.36Å; F206-Y303 VanDerWaalsContact CZ-OH 3.32Å; F206-Y303 WeakPolarHBondContact CZ-OH 3.37Å; V226-Y303 HydrophobicContact CB-CD1 4.28Å; V226-Y303 HydrophobicContact CG1-CD1 3.9Å; V226-Y303 HydrophobicContact CG1-CE1 3.96Å; V226-Y303 HydrophobicContact CG2-CD1 3.63Å; V226-Y303 HydrophobicContact CG2-CE1 3.9Å; V226-Y303 HydrophobicContact CG2-CG 4.19Å; I279-Y303 HydrophobicContact CG2-CD1 3.91Å; I279-Y303 HydrophobicContact CG2-CG 4.36Å; I279-Y303 WeakPolarHBondContact CG2-O 3.49Å; L282-Y303 HydrophobicContact CB-CE1 4.21Å; L282-Y303 HydrophobicContact CD1-CE1 4.41Å; C283-Y303 HydrophobicContact CB-CD2 3.99Å; C283-Y303 HydrophobicContact CB-CG 4.16Å; H286-Y303 HydrophobicContact CB-CE2 4.13Å; Q299-Y303 WeakPolarHBondContact O-CD2 3.48Å; Q299-Y303 PolarHBondContact O-N 3.44Å; C300-Y303 PolarHBondContact O-N 3.29Å; Y303-T306 PolarHBondContact O-N 3.33Å; Y303-V307 PolarHBondContact O-N 2.94Å
304	I	95.3	Very high	90.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-44.1	-178.6	-67.7	168.5	0	0	0	110.8	C300 L301 T306 V307 I308 T331 R334 R335 L338	C300-I304 WeakPolarHBondContact O-CG1 3.3Å; C300-I304 PolarHBondContact O-N 3.45Å; L301-I304 PolarHBondContact O-N 3.17Å; I304-T306 VanDerWaalsContact C-N 3.29Å; I304-T306 PolarHBondContact O-N 3.13Å; I304-V307 PolarHBondContact O-N 3.1Å; I304-V307 VanDerWaalsContact O-N 3.1Å; I304-I308 HydrophobicContact CG2-CD1 3.76Å; I304-I308 HydrophobicContact CG2-CG1 4.24Å; I304-I308 WeakPolarHBondContact O-CG1 3.33Å; I304-I308 PolarHBondContact O-N 3.42Å; I304-T331 HydrophobicContact CG2-CG2 3.95Å; I304-R334 HydrophobicContact CD1-CB 3.55Å; I304-R334 HydrophobicContact CG1-CB 4.27Å; I304-R335 HydrophobicContact CG2-CB 3.82Å; I304-L338 HydrophobicContact CD1-CD1 3.41Å; I304-L338 VanDerWaalsContact CD1-CD1 3.41Å; I304-L338 HydrophobicContact CD1-CG 4.34Å
305	N	92.7	Very high	90	Very high	57 Å²	57	34 Å²	34	31%	0.305	18%	0.175	S	C	.	.	H	α-helix	trans	-63.9	-33.8	179.4	-73.4	-24.5	0	0	0	112.3	L301 A302 V307 I308 R309	L301-N305 VanDerWaalsContact O-CB 3.29Å; L301-N305 WeakPolarHBondContact O-CB 3.45Å; L301-N305 PolarHBondContact O-N 3.1Å; L301-N305 PolarHBondContact O-ND2 3.39Å; A302-N305 PolarHBondContact O-N 3.48Å; N305-V307 VanDerWaalsContact C-N 3.34Å; N305-I308 PolarHBondContact O-N 3.37Å; N305-R309 WeakPolarHBondContact O-CB 3.49Å; N305-R309 PolarHBondContact O-N 2.8Å
306	T	91.9	Very high	89	Confident	24 Å²	24	38.5 Å²	38.5	15%	0.147	19%	0.193	C	C	.	.	H	α-helix	trans	-61.3	-42.6	172.3	-67.5	0	0	0	0	111.5	V226 L271 I279 A302 Y303 I304 A310	V226-T306 WeakPolarHBondContact CB-OG1 3.43Å; V226-T306 PolarHBondContact O-OG1 3.19Å; L271-T306 HydrophobicContact CD1-CG2 4.31Å; I279-T306 HydrophobicContact CD1-CG2 4.36Å; A302-T306 PolarHBondContact O-N 2.86Å; A302-T306 VanDerWaalsContact O-N 3.08Å; A302-T306 PolarHBondContact O-OG1 3.29Å; Y303-T306 PolarHBondContact O-N 3.33Å; I304-T306 VanDerWaalsContact C-N 3.29Å; I304-T306 PolarHBondContact O-N 3.13Å; T306-A310 PolarHBondContact O-N 3.36Å
307	V	93.5	Very high	87.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-69.2	-43.1	176	-179.3	0	0	0	0	111	Q276 I279 L280 Y303 I304 N305 R309 A310 I311 I327 T331	Q276-V307 HydrophobicContact CB-CG1 4.17Å; Q276-V307 HydrophobicContact CG-CG1 4.32Å; I279-V307 HydrophobicContact CB-CG2 3.84Å; I279-V307 HydrophobicContact CD1-CG2 4.35Å; I279-V307 HydrophobicContact CG2-CG2 3.6Å; L280-V307 HydrophobicContact CD2-CG2 4.35Å; L280-V307 HydrophobicContact CG-CG2 4.41Å; Y303-V307 PolarHBondContact O-N 2.94Å; I304-V307 PolarHBondContact O-N 3.1Å; I304-V307 VanDerWaalsContact O-N 3.1Å; N305-V307 VanDerWaalsContact C-N 3.34Å; V307-R309 PolarHBondContact O-N 3.1Å; V307-A310 WeakPolarHBondContact O-CB 3.46Å; V307-A310 PolarHBondContact O-N 3.42Å; V307-A310 VanDerWaalsContact O-N 3.14Å; V307-I311 HydrophobicContact CG1-CD1 3.54Å; V307-I311 HydrophobicContact CG1-CG1 4.24Å; V307-I311 VanDerWaalsContact O-CG1 3.27Å; V307-I311 WeakPolarHBondContact O-CG1 3.38Å; V307-I311 PolarHBondContact O-N 3.16Å; V307-I311 VanDerWaalsContact O-N 3.07Å; V307-I327 HydrophobicContact CG1-CG2 4.44Å; V307-T331 HydrophobicContact CB-CG2 4.03Å; V307-T331 HydrophobicContact CG1-CG2 3.88Å; V307-T331 WeakPolarHBondContact CG1-OG1 3.31Å
308	I	92.5	Very high	86.7	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-58.8	-46.8	177	-69.6	176.8	0	0	0	111.2	I248 I304 N305 A310 I311 Y312 T331 R335	I248-I308 HydrophobicContact CD1-CG2 4.08Å; I304-I308 HydrophobicContact CG2-CD1 3.76Å; I304-I308 HydrophobicContact CG2-CG1 4.24Å; I304-I308 WeakPolarHBondContact O-CG1 3.33Å; I304-I308 PolarHBondContact O-N 3.42Å; N305-I308 PolarHBondContact O-N 3.37Å; I308-A310 PolarHBondContact O-N 3.4Å; I308-I311 PolarHBondContact O-N 2.93Å; I308-I311 VanDerWaalsContact O-N 3.12Å; I308-Y312 HydrophobicContact CG2-CD2 4.3Å; I308-Y312 WeakPolarHBondContact O-CA 3.43Å; I308-Y312 PolarHBondContact O-N 3.4Å; I308-T331 HydrophobicContact CD1-CG2 4.14Å; I308-T331 HydrophobicContact CG1-CG2 3.4Å; I308-R335 HydrophobicContact CD1-CB 4.2Å; I308-R335 VanDerWaalsContact CD1-CD 3.45Å; I308-R335 HydrophobicContact CD1-CG 4.27Å
309	R	88.7	Confident	85.7	Confident	74 Å²	74	45.9 Å²	45.9	28%	0.279	23%	0.234	S	C	.	.	H	α-helix	trans	-63.6	-27.1	179.5	-177.7	173.8	179.6	-165.5	-0.8	112.9	Q268 N305 V307	Q268-R309 PolarHBondContact NE2-O 3.28Å; N305-R309 WeakPolarHBondContact O-CB 3.49Å; N305-R309 PolarHBondContact O-N 2.8Å; V307-R309 PolarHBondContact O-N 3.1Å
310	A	89.1	Confident	85	Confident	5 Å²	5	47.5 Å²	47.5	4%	0.041	24%	0.241	C	C	.	.	H	α-helix	trans	-76.8	-35.2	174.8	0	0	0	0	0	112.5	L271 T306 V307 I308 S321	L271-A310 HydrophobicContact CB-CB 4.33Å; L271-A310 HydrophobicContact CD1-CB 3.82Å; L271-A310 HydrophobicContact CG-CB 4.19Å; T306-A310 PolarHBondContact O-N 3.36Å; V307-A310 WeakPolarHBondContact O-CB 3.46Å; V307-A310 PolarHBondContact O-N 3.42Å; V307-A310 VanDerWaalsContact O-N 3.14Å; I308-A310 PolarHBondContact O-N 3.4Å; A310-S321 VanDerWaalsContact O-CB 3.24Å; A310-S321 WeakPolarHBondContact O-CB 3.47Å; A310-S321 PolarHBondContact O-N 2.89Å; A310-S321 PolarHBondContact O-OG 3.45Å
311	I	90	Very high	84.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-87.7	-42.3	-175.7	-61	175.6	0	0	0	112.3	L245 V307 I308 P313 K320 S323 I327 A328	L245-I311 HydrophobicContact CD1-CG2 3.46Å; L245-I311 VanDerWaalsContact CD1-CG2 3.46Å; L245-I311 HydrophobicContact CD2-CG2 4.4Å; V307-I311 HydrophobicContact CG1-CD1 3.54Å; V307-I311 HydrophobicContact CG1-CG1 4.24Å; V307-I311 VanDerWaalsContact O-CG1 3.27Å; V307-I311 WeakPolarHBondContact O-CG1 3.38Å; V307-I311 PolarHBondContact O-N 3.16Å; V307-I311 VanDerWaalsContact O-N 3.07Å; I308-I311 PolarHBondContact O-N 2.93Å; I308-I311 VanDerWaalsContact O-N 3.12Å; I311-P313 WeakPolarHBondContact O-CD 3.34Å; I311-K320 WeakPolarHBondContact O-CE 3.38Å; I311-S323 WeakPolarHBondContact CD1-OG 3.3Å; I311-I327 HydrophobicContact CD1-CG2 4.17Å; I311-A328 HydrophobicContact CD1-CB 4.45Å; I311-A328 HydrophobicContact CG2-CB 4.41Å
312	Y	89.1	Confident	83.9	Confident	31 Å²	31	48.7 Å²	48.7	12%	0.122	25%	0.25	C	C	.	.	S	Bend	trans	-120.7	80.4	-176.5	-58.3	-79.8	0	0	0	109.4	L245 P246 I248 I308 L332	L245-Y312 HydrophobicContact CB-CE1 4.31Å; L245-Y312 HydrophobicContact CD1-CE1 4.23Å; P246-Y312 PolarHBondContact O-OH 3.33Å; I248-Y312 HydrophobicContact CB-CD1 4.09Å; I248-Y312 HydrophobicContact CB-CE1 4.04Å; I248-Y312 HydrophobicContact CB-CG 4.37Å; I248-Y312 HydrophobicContact CD1-CD1 4.4Å; I248-Y312 HydrophobicContact CD1-CD2 3.84Å; I248-Y312 HydrophobicContact CD1-CE2 4.4Å; I248-Y312 HydrophobicContact CD1-CG 3.84Å; I248-Y312 HydrophobicContact CG2-CD1 3.75Å; I248-Y312 HydrophobicContact CG2-CE1 4.04Å; I248-Y312 HydrophobicContact CG2-CG 4.25Å; I308-Y312 HydrophobicContact CG2-CD2 4.3Å; I308-Y312 WeakPolarHBondContact O-CA 3.43Å; I308-Y312 PolarHBondContact O-N 3.4Å; Y312-L332 HydrophobicContact CE2-CD1 4.32Å; Y312-L332 HydrophobicContact CE2-CD2 4.3Å; Y312-L332 HydrophobicContact CE2-CG 4.43Å
313	P	83.4	Confident	83.6	Confident	36 Å²	36	48.7 Å²	48.7	23%	0.234	25%	0.249	C	C	.	.			trans	-61.7	145.1	173	22.9	-30.5	0	0	0	111.4	I311 E318 K320	I311-P313 WeakPolarHBondContact O-CD 3.34Å; P313-E318 WeakPolarHBondContact CA-OE2 3.45Å; P313-E318 HydrophobicContact CB-CB 3.5Å; P313-E318 HydrophobicContact CB-CG 4.45Å; P313-E318 VanDerWaalsContact CB-OE2 3.26Å; P313-E318 WeakPolarHBondContact CB-OE2 3.5Å; P313-K320 HydrophobicContact CG-CB 4.09Å; P313-K320 HydrophobicContact CG-CG 4.4Å
314	D	76.4	Confident	83.3	Confident	101 Å²	101	47.9 Å²	47.9	54%	0.54	25%	0.246	S	C	.	.	S	Bend	trans	-77.7	-25.2	-178.7	-77	-32.7	0	0	0	112.1	N259 E318	N259-D314 PolarHBondContact ND2-OD1 3.19Å; N259-D314 PolarHBondContact ND2-OD2 3.38Å; D314-E318 PolarHBondContact N-OE2 2.94Å
315	S	72.6	Confident	83.2	Confident	51 Å²	51	48.3 Å²	48.3	36%	0.357	25%	0.248	S	C	.	.	S	Bend	trans	-122.4	145.7	177.6	81.3	0	0	0	0	112.2	N317 E318	S315-N317 PolarHBondContact O-N 2.74Å; S315-N317 VanDerWaalsContact O-N 3.12Å; S315-E318 WeakPolarHBondContact O-CB 3.25Å; S315-E318 PolarHBondContact O-N 3.07Å; S315-E318 WeakPolarHBondContact OG-CG 3.33Å
316	E	65.9	Low	83.2	Confident	202 Å²	202	45.6 Å²	45.6	94%	0.944	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-18	178.9	-63.8	-176	169.8	0	0	113.5	E318	E316-E318 VanDerWaalsContact C-N 3.35Å
317	N	64.3	Low	83.3	Confident	160 Å²	160	44.5 Å²	44.5	86%	0.856	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-14.4	177.6	-66.6	-25.9	0	0	0	113.1	S315	S315-N317 PolarHBondContact O-N 2.74Å; S315-N317 VanDerWaalsContact O-N 3.12Å
318	E	68.4	Low	83.4	Confident	53 Å²	53	44.5 Å²	44.5	25%	0.248	23%	0.226	C	C	.	.	S	Bend	trans	-78.9	145.4	179.6	-76.4	178.6	-177.3	0	0	111.5	Q268 P313 D314 S315 E316 K320	Q268-E318 PolarHBondContact NE2-OE2 3.11Å; Q268-E318 VanDerWaalsContact OE1-CB 3.26Å; Q268-E318 PolarHBondContact OE1-OE2 3.41Å; P313-E318 WeakPolarHBondContact CA-OE2 3.45Å; P313-E318 HydrophobicContact CB-CB 3.5Å; P313-E318 HydrophobicContact CB-CG 4.45Å; P313-E318 VanDerWaalsContact CB-OE2 3.26Å; P313-E318 WeakPolarHBondContact CB-OE2 3.5Å; D314-E318 PolarHBondContact N-OE2 2.94Å; S315-E318 WeakPolarHBondContact O-CB 3.25Å; S315-E318 PolarHBondContact O-N 3.07Å; S315-E318 WeakPolarHBondContact OG-CG 3.33Å; E316-E318 VanDerWaalsContact C-N 3.35Å; E318-K320 PolarHBondContact O-N 2.88Å; E318-K320 VanDerWaalsContact O-N 3.14Å
319	I	72.1	Confident	83.5	Confident	94 Å²	94	44.4 Å²	44.4	48%	0.482	23%	0.226	S	C	.	.			trans	-76.1	109.1	-178.1	-54.5	172	0	0	0	109	T239 I270 S321	T239-I319 HydrophobicContact CG2-CG2 4.42Å; I270-I319 HydrophobicContact CD1-CG2 3.75Å; I270-I319 HydrophobicContact CG1-CB 4.41Å; I270-I319 HydrophobicContact CG1-CG2 3.74Å; I319-S321 PolarHBondContact O-N 3Å
320	K	79.9	Confident	83.9	Confident	78 Å²	78	41 Å²	41	34%	0.339	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-69.2	124.5	172.7	-171.8	177.3	178	-174.8	0	110.4	I311 P313 E318	I311-K320 WeakPolarHBondContact O-CE 3.38Å; P313-K320 HydrophobicContact CG-CB 4.09Å; P313-K320 HydrophobicContact CG-CG 4.4Å; E318-K320 PolarHBondContact O-N 2.88Å; E318-K320 VanDerWaalsContact O-N 3.14Å
321	S	82.2	Confident	84.2	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.014	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-70.4	140.4	170.2	-60.5	0	0	0	0	109.9	I270 L271 A310 I319 S323	I270-S321 WeakPolarHBondContact CA-OG 3.36Å; L271-S321 PolarHBondContact N-OG 2.93Å; L271-S321 VanDerWaalsContact N-OG 3.12Å; L271-S321 WeakPolarHBondContact O-CB 3.42Å; A310-S321 VanDerWaalsContact O-CB 3.24Å; A310-S321 WeakPolarHBondContact O-CB 3.47Å; A310-S321 PolarHBondContact O-N 2.89Å; A310-S321 PolarHBondContact O-OG 3.45Å; I319-S321 PolarHBondContact O-N 3Å; S321-S323 PolarHBondContact O-N 2.92Å
322	S	84.2	Confident	84.5	Confident	31 Å²	31	40.8 Å²	40.8	22%	0.217	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-64.4	126.4	167.5	-174	0	0	0	0	107.9	S240 G241 N273 Q276	S240-S322 PolarHBondContact O-OG 3.41Å; G241-S322 PolarHBondContact O-OG 3.48Å; N273-S322 PolarHBondContact OD1-O 3.34Å; Q276-S322 PolarHBondContact NE2-O 2.74Å; Q276-S322 VanDerWaalsContact NE2-O 3.1Å
323	S	88	Confident	84.9	Confident	5 Å²	5	39.6 Å²	39.6	4%	0.035	21%	0.207	C	C	.	.			trans	-135.1	162.1	-179.5	-165.9	0	0	0	0	110.1	N273 Q276 I311 S321	N273-S323 VanDerWaalsContact OD1-CA 3.26Å; N273-S323 WeakPolarHBondContact OD1-CA 3.34Å; Q276-S323 PolarHBondContact OE1-OG 2.96Å; I311-S323 WeakPolarHBondContact CD1-OG 3.3Å; S321-S323 PolarHBondContact O-N 2.92Å
324	S	89.9	Confident	85.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.			trans	-108.2	153.3	178.6	63.6	0	0	0	0	111.2	P326 I327 A328 T374	S324-P326 VanDerWaalsContact C-CD 3.46Å; S324-P326 VanDerWaalsContact C-N 3.35Å; S324-I327 PolarHBondContact O-N 2.91Å; S324-I327 WeakPolarHBondContact OG-CD1 3.26Å; S324-I327 VanDerWaalsContact OG-CG1 3.23Å; S324-I327 WeakPolarHBondContact OG-CG1 3.43Å; S324-A328 PolarHBondContact O-N 2.92Å; S324-T374 VanDerWaalsContact CB-OG1 3.23Å; S324-T374 WeakPolarHBondContact CB-OG1 3.35Å; S324-T374 WeakPolarHBondContact OG-CB 3.39Å; S324-T374 PolarHBondContact OG-OG1 2.86Å
325	W	91.6	Very high	86.4	Confident	10 Å²	10	35.7 Å²	35.7	4%	0.038	18%	0.18	C	C	.	.	H	α-helix	trans	-52.7	-43.1	178.5	-167	-77.4	0	0	0	114	P244 L245 P246 A328 T329 Q359 P365 R370	P244-W325 HydrophobicContact CB-CZ3 4.32Å; P244-W325 VanDerWaalsContact O-CE3 3.27Å; L245-W325 WeakPolarHBondContact O-CZ3 3.45Å; P246-W325 HydrophobicContact CB-CH2 4.19Å; P246-W325 HydrophobicContact CB-CZ2 3.88Å; W325-A328 PolarHBondContact O-N 3.35Å; W325-T329 PolarHBondContact NE1-OG1 2.9Å; W325-T329 WeakPolarHBondContact O-CB 3.44Å; W325-T329 PolarHBondContact O-N 3.13Å; W325-T329 PolarHBondContact O-OG1 3.21Å; W325-Q359 HydrophobicContact CZ2-CB 4.04Å; W325-Q359 HydrophobicContact CZ2-CG 4.22Å; W325-P365 HydrophobicContact CD2-CG 4.3Å; W325-P365 HydrophobicContact CE3-CG 3.49Å; W325-P365 VanDerWaalsContact CE3-CG 3.49Å; W325-P365 VanDerWaalsContact CH2-CD 3.46Å; W325-P365 HydrophobicContact CH2-CG 3.88Å; W325-P365 HydrophobicContact CZ3-CG 3.26Å; W325-R370 HydrophobicContact CB-CB 4Å; W325-R370 HydrophobicContact CB-CG 4.28Å; W325-R370 WeakPolarHBondContact CB-O 3.08Å; W325-R370 HydrophobicContact CD2-CG 4.11Å; W325-R370 HydrophobicContact CE3-CG 4.49Å; W325-R370 HydrophobicContact CG-CB 4.17Å; W325-R370 HydrophobicContact CG-CG 4Å
326	P	93.4	Very high	87.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67.5	-39.9	-178.9	-24.1	38.7	0	0	0	112.8	S324 T329 E330 R370 T374 S378 M380	S324-P326 VanDerWaalsContact C-CD 3.46Å; S324-P326 VanDerWaalsContact C-N 3.35Å; P326-T329 PolarHBondContact O-N 2.93Å; P326-E330 WeakPolarHBondContact O-CB 3.45Å; P326-E330 PolarHBondContact O-N 2.95Å; P326-R370 VanDerWaalsContact CD-O 3.26Å; P326-R370 WeakPolarHBondContact CD-O 3.36Å; P326-T374 WeakPolarHBondContact CD-OG1 3.31Å; P326-T374 WeakPolarHBondContact CG-OG1 3.11Å; P326-S378 WeakPolarHBondContact CB-OG 3.47Å; P326-M380 HydrophobicContact CB-CB 3.99Å; P326-M380 HydrophobicContact CB-SD 3.92Å; P326-M380 HydrophobicContact CG-SD 4.4Å
327	I	94.9	Very high	88.9	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-47.6	176.1	-63.2	172.2	0	0	0	110.2	N273 Q276 S277 L280 V307 I311 S324 T329 E330 T331	N273-I327 HydrophobicContact CB-CD1 3.67Å; N273-I327 VanDerWaalsContact O-CD1 3.26Å; N273-I327 WeakPolarHBondContact O-CD1 3.06Å; Q276-I327 HydrophobicContact CB-CG2 3.88Å; S277-I327 VanDerWaalsContact OG-CD1 3.26Å; S277-I327 WeakPolarHBondContact OG-CD1 3.47Å; S277-I327 WeakPolarHBondContact OG-CG1 3.49Å; L280-I327 HydrophobicContact CD1-CG2 4Å; V307-I327 HydrophobicContact CG1-CG2 4.44Å; I311-I327 HydrophobicContact CD1-CG2 4.17Å; S324-I327 PolarHBondContact O-N 2.91Å; S324-I327 WeakPolarHBondContact OG-CD1 3.26Å; S324-I327 VanDerWaalsContact OG-CG1 3.23Å; S324-I327 WeakPolarHBondContact OG-CG1 3.43Å; I327-T329 VanDerWaalsContact C-N 3.33Å; I327-T329 PolarHBondContact O-N 2.78Å; I327-E330 PolarHBondContact O-N 3.35Å; I327-T331 WeakPolarHBondContact O-CB 3.48Å; I327-T331 PolarHBondContact O-N 3.43Å; I327-T331 PolarHBondContact O-OG1 3.25Å
328	A	94.4	Very high	90.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.8	-40.4	178.7	0	0	0	0	0	111.8	L245 P246 I311 S324 W325 T331 L332	L245-A328 HydrophobicContact CD2-CB 4.04Å; P246-A328 HydrophobicContact CG-CB 3.67Å; I311-A328 HydrophobicContact CD1-CB 4.45Å; I311-A328 HydrophobicContact CG2-CB 4.41Å; S324-A328 PolarHBondContact O-N 2.92Å; W325-A328 PolarHBondContact O-N 3.35Å; A328-T331 PolarHBondContact O-N 3.16Å; A328-L332 WeakPolarHBondContact O-CB 3.13Å; A328-L332 VanDerWaalsContact O-CG 3.27Å; A328-L332 WeakPolarHBondContact O-CG 3.46Å; A328-L332 PolarHBondContact O-N 3.21Å
329	T	95.2	Very high	91.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.6	-49.7	175.6	-60.4	0	0	0	0	111.5	W325 P326 I327 T331 L332 F333 L356 Q359 M380	W325-T329 PolarHBondContact NE1-OG1 2.9Å; W325-T329 WeakPolarHBondContact O-CB 3.44Å; W325-T329 PolarHBondContact O-N 3.13Å; W325-T329 PolarHBondContact O-OG1 3.21Å; P326-T329 PolarHBondContact O-N 2.93Å; I327-T329 VanDerWaalsContact C-N 3.33Å; I327-T329 PolarHBondContact O-N 2.78Å; T329-T331 VanDerWaalsContact C-N 3.29Å; T329-T331 PolarHBondContact O-N 3.31Å; T329-L332 PolarHBondContact O-N 3.28Å; T329-F333 VanDerWaalsContact O-CB 3.23Å; T329-F333 WeakPolarHBondContact O-CB 3.2Å; T329-F333 PolarHBondContact O-N 3.41Å; T329-L356 HydrophobicContact CG2-CD1 4.41Å; T329-L356 HydrophobicContact CG2-CD2 4.12Å; T329-Q359 PolarHBondContact OG1-NE2 3.34Å; T329-M380 HydrophobicContact CG2-CE 3.55Å; T329-M380 HydrophobicContact CG2-CG 3.8Å; T329-M380 HydrophobicContact CG2-SD 4.12Å
330	E	96	Very high	91.9	Very high	3 Å²	3	14 Å²	14	1%	0.014	7%	0.067	C	C	.	.	H	α-helix	trans	-59.1	-43.3	178.3	174.8	64.2	-178	0	0	111.1	L280 P326 I327 L332 F333 R334 S378 P381	L280-E330 HydrophobicContact CD1-CB 4.23Å; L280-E330 HydrophobicContact CD1-CG 3.93Å; P326-E330 WeakPolarHBondContact O-CB 3.45Å; P326-E330 PolarHBondContact O-N 2.95Å; I327-E330 PolarHBondContact O-N 3.35Å; E330-L332 PolarHBondContact O-N 2.93Å; E330-F333 PolarHBondContact O-N 3.11Å; E330-R334 HydrophobicContact CG-CG 4.34Å; E330-R334 WeakPolarHBondContact O-CB 3.46Å; E330-R334 VanDerWaalsContact O-CG 3.27Å; E330-R334 WeakPolarHBondContact O-CG 3.35Å; E330-R334 PolarHBondContact O-N 3.06Å; E330-R334 WeakPolarHBondContact OE1-CG 3.36Å; E330-R334 IonicContact OE1-CZ 3.5Å; E330-R334 IonicContact OE1-NE 2.72Å; E330-R334 PolarHBondContact OE1-NE 2.77Å; E330-R334 IonicContact OE1-NH2 3.17Å; E330-R334 PolarHBondContact OE1-NH2 3.05Å; E330-S378 WeakPolarHBondContact CG-O 3.38Å; E330-P381 VanDerWaalsContact OE2-CD 3.25Å; E330-P381 WeakPolarHBondContact OE2-CD 3.43Å
331	T	96.6	Very high	92.2	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.6	-49.2	178.8	-55.1	0	0	0	0	111.4	L280 I304 V307 I308 I327 A328 T329 R334 R335	L280-T331 WeakPolarHBondContact CD1-OG1 3.25Å; L280-T331 HydrophobicContact CD2-CG2 4.36Å; I304-T331 HydrophobicContact CG2-CG2 3.95Å; V307-T331 HydrophobicContact CB-CG2 4.03Å; V307-T331 HydrophobicContact CG1-CG2 3.88Å; V307-T331 WeakPolarHBondContact CG1-OG1 3.31Å; I308-T331 HydrophobicContact CD1-CG2 4.14Å; I308-T331 HydrophobicContact CG1-CG2 3.4Å; I327-T331 WeakPolarHBondContact O-CB 3.48Å; I327-T331 PolarHBondContact O-N 3.43Å; I327-T331 PolarHBondContact O-OG1 3.25Å; A328-T331 PolarHBondContact O-N 3.16Å; T329-T331 VanDerWaalsContact C-N 3.29Å; T329-T331 PolarHBondContact O-N 3.31Å; T331-R334 PolarHBondContact O-N 3.33Å; T331-R335 PolarHBondContact O-N 3.28Å
332	L	96.7	Very high	92.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-69.4	-36.2	-179.6	-68.2	175	0	0	0	112.1	P246 I248 Y312 A328 T329 E330 S336 Q352 L356	P246-L332 HydrophobicContact CB-CD1 4.33Å; P246-L332 HydrophobicContact CG-CD1 4.03Å; I248-L332 HydrophobicContact CB-CD2 4.44Å; I248-L332 HydrophobicContact CD1-CD2 4.17Å; I248-L332 HydrophobicContact CG1-CD2 3.95Å; Y312-L332 HydrophobicContact CE2-CD1 4.32Å; Y312-L332 HydrophobicContact CE2-CD2 4.3Å; Y312-L332 HydrophobicContact CE2-CG 4.43Å; A328-L332 WeakPolarHBondContact O-CB 3.13Å; A328-L332 VanDerWaalsContact O-CG 3.27Å; A328-L332 WeakPolarHBondContact O-CG 3.46Å; A328-L332 PolarHBondContact O-N 3.21Å; T329-L332 PolarHBondContact O-N 3.28Å; E330-L332 PolarHBondContact O-N 2.93Å; L332-S336 PolarHBondContact O-N 3.49Å; L332-S336 PolarHBondContact O-OG 2.87Å; L332-Q352 HydrophobicContact CB-CG 4.21Å; L332-L356 HydrophobicContact CB-CD1 3.94Å; L332-L356 HydrophobicContact CB-CD2 4.31Å; L332-L356 HydrophobicContact CD1-CD2 4.19Å
333	F	97.2	Very high	92.6	Very high	5 Å²	5	21.1 Å²	21.1	2%	0.022	11%	0.114	C	C	.	.	H	α-helix	trans	-60.8	-52.6	173.8	173.3	-119.3	0	0	0	110.8	T329 E330 R335 S336 L337 L353 L356 P381 T385 L386 E389	T329-F333 VanDerWaalsContact O-CB 3.23Å; T329-F333 WeakPolarHBondContact O-CB 3.2Å; T329-F333 PolarHBondContact O-N 3.41Å; E330-F333 PolarHBondContact O-N 3.11Å; F333-R335 VanDerWaalsContact C-N 3.35Å; F333-R335 PolarHBondContact O-N 3.18Å; F333-S336 WeakPolarHBondContact O-CB 3.36Å; F333-S336 PolarHBondContact O-N 3.23Å; F333-S336 VanDerWaalsContact O-N 3.09Å; F333-L337 HydrophobicContact CD1-CD1 4.3Å; F333-L337 HydrophobicContact CD2-CG 4.42Å; F333-L337 HydrophobicContact CE1-CD1 3.72Å; F333-L337 HydrophobicContact CE2-CD1 3.98Å; F333-L337 HydrophobicContact CE2-CD2 4.26Å; F333-L337 HydrophobicContact CE2-CG 4.12Å; F333-L337 HydrophobicContact CZ-CD1 3.56Å; F333-L337 HydrophobicContact CZ-CG 4.22Å; F333-L337 PolarHBondContact O-N 3.26Å; F333-L353 HydrophobicContact CD2-CD2 3.59Å; F333-L353 HydrophobicContact CE2-CD2 4.03Å; F333-L356 HydrophobicContact CB-CD1 4.11Å; F333-P381 HydrophobicContact CB-CG 4.24Å; F333-P381 HydrophobicContact CD1-CB 4.21Å; F333-P381 HydrophobicContact CD1-CG 3.67Å; F333-P381 HydrophobicContact CD2-CG 4.27Å; F333-P381 HydrophobicContact CE1-CB 3.99Å; F333-P381 HydrophobicContact CE1-CG 3.97Å; F333-P381 HydrophobicContact CG-CG 3.81Å; F333-P381 HydrophobicContact CZ-CB 4.24Å; F333-P381 HydrophobicContact CZ-CG 4.37Å; F333-T385 HydrophobicContact CZ-CG2 4.1Å; F333-L386 HydrophobicContact CB-CD2 4.23Å; F333-L386 HydrophobicContact CD2-CD2 3.39Å; F333-L386 HydrophobicContact CE2-CD2 3.89Å; F333-L386 HydrophobicContact CG-CD2 3.99Å; F333-E389 HydrophobicContact CE2-CB 4.01Å; F333-E389 HydrophobicContact CE2-CG 3.88Å; F333-E389 HydrophobicContact CZ-CB 4.49Å; F333-E389 HydrophobicContact CZ-CG 3.86Å
334	R	95.9	Very high	92.7	Very high	52 Å²	52	27.1 Å²	27.1	20%	0.196	14%	0.136	C	C	.	.	H	α-helix	trans	-62.5	-39.3	178.7	-67.5	-65.1	-179.7	-164.5	-6.9	112.8	E284 I304 E330 T331 S336 L337 L338	E284-R334 IonicContact OE2-CZ 3.21Å; E284-R334 IonicContact OE2-NH1 2.65Å; I304-R334 HydrophobicContact CD1-CB 3.55Å; I304-R334 HydrophobicContact CG1-CB 4.27Å; E330-R334 HydrophobicContact CG-CG 4.34Å; E330-R334 WeakPolarHBondContact O-CB 3.46Å; E330-R334 VanDerWaalsContact O-CG 3.27Å; E330-R334 WeakPolarHBondContact O-CG 3.35Å; E330-R334 PolarHBondContact O-N 3.06Å; E330-R334 WeakPolarHBondContact OE1-CG 3.36Å; E330-R334 IonicContact OE1-CZ 3.5Å; E330-R334 IonicContact OE1-NE 2.72Å; E330-R334 PolarHBondContact OE1-NE 2.77Å; E330-R334 IonicContact OE1-NH2 3.17Å; E330-R334 PolarHBondContact OE1-NH2 3.05Å; T331-R334 PolarHBondContact O-N 3.33Å; R334-S336 VanDerWaalsContact C-N 3.29Å; R334-S336 PolarHBondContact O-N 3.49Å; R334-L337 PolarHBondContact O-N 3.43Å; R334-L338 PolarHBondContact O-N 3.19Å; R334-L338 VanDerWaalsContact O-N 3.09Å
335	R	95.8	Very high	92.8	Very high	3 Å²	3	29.8 Å²	29.8	1%	0.011	15%	0.147	C	C	.	.	H	α-helix	trans	-55.6	-48.8	172.3	-177.2	176.9	60.6	171.5	9.9	110.6	I304 I308 T331 F333 L337 L338 E339	I304-R335 HydrophobicContact CG2-CB 3.82Å; I308-R335 HydrophobicContact CD1-CB 4.2Å; I308-R335 VanDerWaalsContact CD1-CD 3.45Å; I308-R335 HydrophobicContact CD1-CG 4.27Å; T331-R335 PolarHBondContact O-N 3.28Å; F333-R335 VanDerWaalsContact C-N 3.35Å; F333-R335 PolarHBondContact O-N 3.18Å; R335-L337 VanDerWaalsContact C-N 3.29Å; R335-L337 PolarHBondContact O-N 3.44Å; R335-L338 PolarHBondContact O-N 3.15Å; R335-L338 VanDerWaalsContact O-N 3.13Å; R335-E339 WeakPolarHBondContact CD-OE1 3.49Å; R335-E339 HydrophobicContact CG-CG 4.04Å; R335-E339 WeakPolarHBondContact CG-OE1 3.3Å; R335-E339 WeakPolarHBondContact O-CB 3.45Å; R335-E339 WeakPolarHBondContact O-CG 3.27Å; R335-E339 PolarHBondContact O-N 3.22Å
336	S	95.7	Very high	92.9	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.014	15%	0.151	C	C	.	.	H	α-helix	trans	-60.9	-40.1	-178.1	-52.2	0	0	0	0	111.4	L332 F333 R334 L338 H340 A349 Q352	L332-S336 PolarHBondContact O-N 3.49Å; L332-S336 PolarHBondContact O-OG 2.87Å; F333-S336 WeakPolarHBondContact O-CB 3.36Å; F333-S336 PolarHBondContact O-N 3.23Å; F333-S336 VanDerWaalsContact O-N 3.09Å; R334-S336 VanDerWaalsContact C-N 3.29Å; R334-S336 PolarHBondContact O-N 3.49Å; S336-L338 VanDerWaalsContact C-N 3.35Å; S336-L338 PolarHBondContact O-N 3.21Å; S336-H340 PolarHBondContact O-N 2.89Å; S336-A349 WeakPolarHBondContact O-CB 3.38Å; S336-Q352 WeakPolarHBondContact OG-CB 3Å; S336-Q352 VanDerWaalsContact OG-CG 3.31Å; S336-Q352 WeakPolarHBondContact OG-CG 3.2Å
337	L	93.7	Very high	92.8	Very high	40 Å²	40	37.7 Å²	37.7	21%	0.209	19%	0.185	C	C	.	.	H	α-helix	trans	-69.8	-23.2	176.2	-65	-173.8	0	0	0	114.6	F333 R334 R335 H340 E389	F333-L337 HydrophobicContact CD1-CD1 4.3Å; F333-L337 HydrophobicContact CD2-CG 4.42Å; F333-L337 HydrophobicContact CE1-CD1 3.72Å; F333-L337 HydrophobicContact CE2-CD1 3.98Å; F333-L337 HydrophobicContact CE2-CD2 4.26Å; F333-L337 HydrophobicContact CE2-CG 4.12Å; F333-L337 HydrophobicContact CZ-CD1 3.56Å; F333-L337 HydrophobicContact CZ-CG 4.22Å; F333-L337 PolarHBondContact O-N 3.26Å; R334-L337 PolarHBondContact O-N 3.43Å; R335-L337 VanDerWaalsContact C-N 3.29Å; R335-L337 PolarHBondContact O-N 3.44Å; L337-H340 PolarHBondContact O-CE1 3.46Å; L337-H340 PolarHBondContact O-ND1 2.86Å; L337-E389 HydrophobicContact CD2-CB 4.02Å; L337-E389 HydrophobicContact CD2-CG 4.03Å
338	L	92.2	Very high	92.8	Very high	23 Å²	23	38.2 Å²	38.2	12%	0.12	19%	0.187	C	C	.	.	H	α-helix	trans	-91.7	-31.9	176	-68.9	-179.9	0	0	0	112.6	C300 L301 I304 R334 R335 S336	C300-L338 HydrophobicContact CB-CD1 3.48Å; C300-L338 VanDerWaalsContact CB-CD1 3.48Å; C300-L338 HydrophobicContact CB-CD2 4.33Å; L301-L338 HydrophobicContact CD1-CB 4.44Å; L301-L338 HydrophobicContact CD2-CB 3.58Å; L301-L338 HydrophobicContact CD2-CD1 3.92Å; L301-L338 HydrophobicContact CD2-CG 4.43Å; L301-L338 HydrophobicContact CG-CB 3.83Å; L301-L338 HydrophobicContact CG-CD1 3.82Å; L301-L338 HydrophobicContact CG-CG 4.49Å; I304-L338 HydrophobicContact CD1-CD1 3.41Å; I304-L338 VanDerWaalsContact CD1-CD1 3.41Å; I304-L338 HydrophobicContact CD1-CG 4.34Å; R334-L338 PolarHBondContact O-N 3.19Å; R334-L338 VanDerWaalsContact O-N 3.09Å; R335-L338 PolarHBondContact O-N 3.15Å; R335-L338 VanDerWaalsContact O-N 3.13Å; S336-L338 VanDerWaalsContact C-N 3.35Å; S336-L338 PolarHBondContact O-N 3.21Å
339	E	90.3	Very high	92.8	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.028	19%	0.187	C	C	.	.	H	α-helix	trans	-78.8	-19.4	-176.5	-73.2	-172.6	171.2	0	0	114.3	L301 R335 N341 S342 R345 R348 A349	L301-E339 HydrophobicContact CD2-CG 4.02Å; R335-E339 WeakPolarHBondContact CD-OE1 3.49Å; R335-E339 HydrophobicContact CG-CG 4.04Å; R335-E339 WeakPolarHBondContact CG-OE1 3.3Å; R335-E339 WeakPolarHBondContact O-CB 3.45Å; R335-E339 WeakPolarHBondContact O-CG 3.27Å; R335-E339 PolarHBondContact O-N 3.22Å; E339-N341 PolarHBondContact O-N 3.25Å; E339-N341 VanDerWaalsContact O-N 3.11Å; E339-S342 WeakPolarHBondContact O-CB 3.44Å; E339-S342 PolarHBondContact O-N 3.35Å; E339-R345 HydrophobicContact CB-CB 3.89Å; E339-R345 HydrophobicContact CG-CB 4.45Å; E339-R348 IonicContact OE1-CZ 2.65Å; E339-R348 IonicContact OE1-NH2 2.89Å; E339-R348 PolarHBondContact OE1-NH2 3.44Å; E339-R348 IonicContact OE2-CZ 2.85Å; E339-R348 IonicContact OE2-NE 3.66Å; E339-R348 PolarHBondContact OE2-NE 3.42Å; E339-R348 IonicContact OE2-NH2 3.8Å; E339-R348 PolarHBondContact OE2-NH2 3.46Å; E339-A349 HydrophobicContact CB-CB 4.5Å
340	H	85.6	Confident	92.9	Very high	33 Å²	33	39.8 Å²	39.8	15%	0.153	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.2	-172	79.4	-71.3	0	0	0	114.9	S336 L337 S342 T346 A349 L393 K396	S336-H340 PolarHBondContact O-N 2.89Å; L337-H340 PolarHBondContact O-CE1 3.46Å; L337-H340 PolarHBondContact O-ND1 2.86Å; H340-S342 PolarHBondContact O-N 2.96Å; H340-T346 PolarHBondContact O-OG1 3.24Å; H340-A349 HydrophobicContact CB-CB 4.37Å; H340-L393 HydrophobicContact CB-CD1 3.61Å; H340-L393 HydrophobicContact CB-CD2 4.32Å; H340-K396 PolarHBondContact NE2-NZ 3.24Å
341	N	85.8	Confident	92.8	Very high	84 Å²	84	41.7 Å²	41.7	45%	0.449	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.5	175.4	-72	-22.9	0	0	0	112.6	E297 E339	E297-N341 VanDerWaalsContact CD-ND2 3.33Å; E297-N341 PolarHBondContact OE1-ND2 2.89Å; E297-N341 PolarHBondContact OE2-ND2 3.45Å; E339-N341 PolarHBondContact O-N 3.25Å; E339-N341 VanDerWaalsContact O-N 3.11Å
342	S	88.4	Confident	92.8	Very high	43 Å²	43	41.7 Å²	41.7	30%	0.301	21%	0.209	S	C	.	.	S	Bend	trans	-86.6	114.1	179.9	-176.7	0	0	0	0	110.6	E339 H340 R344 R345 T346	E339-S342 WeakPolarHBondContact O-CB 3.44Å; E339-S342 PolarHBondContact O-N 3.35Å; H340-S342 PolarHBondContact O-N 2.96Å; S342-R344 PolarHBondContact O-N 3.26Å; S342-R345 CarbonylContact O-C 3.56Å; S342-R345 PolarHBondContact O-N 3.31Å; S342-T346 PolarHBondContact O-N 3.28Å; S342-T346 PolarHBondContact O-OG1 3.4Å
343	V	87.2	Confident	92.8	Very high	134 Å²	134	41.8 Å²	41.8	81%	0.812	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.2	-37.6	179.3	-179	0	0	0	0	113.2
344	R	90	Very high	92.7	Very high	132 Å²	132	46.4 Å²	46.4	50%	0.498	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-17.7	-179.3	-63.1	-172.2	-177.4	-149.1	2.2	114.3	L251 D253 V255 L256 S342	L251-R344 WeakPolarHBondContact CD1-O 3.49Å; D253-R344 IonicContact OD1-NH1 3.15Å; V255-R344 VanDerWaalsContact CB-NH1 3.28Å; L256-R344 HydrophobicContact CD1-CB 3.81Å; L256-R344 HydrophobicContact CD1-CG 4.46Å; S342-R344 PolarHBondContact O-N 3.26Å
345	R	92.3	Very high	92.7	Very high	56 Å²	56	45.1 Å²	45.1	21%	0.211	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-12.5	-178.2	-57.2	-179.6	177.4	145.8	-1.8	113	L251 E339 S342 E347 R348 A349	L251-R345 HydrophobicContact CD1-CB 4.19Å; L251-R345 HydrophobicContact CD1-CG 3.91Å; L251-R345 HydrophobicContact CD2-CG 4.47Å; E339-R345 HydrophobicContact CB-CB 3.89Å; E339-R345 HydrophobicContact CG-CB 4.45Å; S342-R345 CarbonylContact O-C 3.56Å; S342-R345 PolarHBondContact O-N 3.31Å; R345-E347 VanDerWaalsContact C-N 3.26Å; R345-E347 PolarHBondContact O-N 2.91Å; R345-R348 PolarHBondContact O-N 2.85Å; R345-R348 VanDerWaalsContact O-N 3.13Å; R345-A349 PolarHBondContact O-N 3.06Å
346	T	92.6	Very high	92.6	Very high	22 Å²	22	45 Å²	45	14%	0.135	23%	0.227	C	C	.	.	H	α-helix	trans	-53	-40.9	178.9	-52	0	0	0	0	112.7	H340 S342 A349 L350 L393 I397	H340-T346 PolarHBondContact O-OG1 3.24Å; S342-T346 PolarHBondContact O-N 3.28Å; S342-T346 PolarHBondContact O-OG1 3.4Å; T346-A349 PolarHBondContact O-N 2.98Å; T346-L350 PolarHBondContact O-N 3.17Å; T346-L393 HydrophobicContact CG2-CD1 4.03Å; T346-I397 HydrophobicContact CG2-CD1 3.68Å; T346-I397 HydrophobicContact CG2-CG1 3.79Å
347	E	92.2	Very high	92.4	Very high	154 Å²	154	45 Å²	45	72%	0.72	23%	0.228	S	C	*	.	H	α-helix	trans	-66.9	-42.4	178.4	-174.2	178.6	-178.7	0	0	112.7	R345 A349 L350 S351	R345-E347 VanDerWaalsContact C-N 3.26Å; R345-E347 PolarHBondContact O-N 2.91Å; E347-A349 VanDerWaalsContact C-N 3.34Å; E347-L350 PolarHBondContact O-N 2.95Å; E347-S351 WeakPolarHBondContact O-CB 3.49Å; E347-S351 PolarHBondContact O-N 2.89Å; E347-S351 PolarHBondContact O-OG 3.1Å
348	R	94.8	Very high	92.3	Very high	11 Å²	11	45.2 Å²	45.2	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-45.1	172.7	175.7	173.1	70.3	-179.1	-2.4	110.6	I249 L251 N258 E339 R345 L350 S351 Q352	I249-R348 HydrophobicContact CB-CG 4.5Å; I249-R348 HydrophobicContact CG2-CG 4.28Å; I249-R348 WeakPolarHBondContact O-CD 3.4Å; L251-R348 HydrophobicContact CD1-CB 3.81Å; N258-R348 PolarHBondContact O-NH1 3.48Å; N258-R348 VanDerWaalsContact O-NH1 3.07Å; E339-R348 IonicContact OE1-CZ 2.65Å; E339-R348 IonicContact OE1-NH2 2.89Å; E339-R348 PolarHBondContact OE1-NH2 3.44Å; E339-R348 IonicContact OE2-CZ 2.85Å; E339-R348 IonicContact OE2-NE 3.66Å; E339-R348 PolarHBondContact OE2-NE 3.42Å; E339-R348 IonicContact OE2-NH2 3.8Å; E339-R348 PolarHBondContact OE2-NH2 3.46Å; R345-R348 PolarHBondContact O-N 2.85Å; R345-R348 VanDerWaalsContact O-N 3.13Å; R348-L350 VanDerWaalsContact C-N 3.35Å; R348-L350 PolarHBondContact O-N 3.31Å; R348-S351 PolarHBondContact O-N 3.28Å; R348-Q352 WeakPolarHBondContact O-CB 3.44Å; R348-Q352 PolarHBondContact O-N 2.89Å
349	A	95.2	Very high	92	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-45.6	179.2	0	0	0	0	0	111.5	S336 E339 H340 R345 T346 E347 Q352 L353 L393	S336-A349 WeakPolarHBondContact O-CB 3.38Å; E339-A349 HydrophobicContact CB-CB 4.5Å; H340-A349 HydrophobicContact CB-CB 4.37Å; R345-A349 PolarHBondContact O-N 3.06Å; T346-A349 PolarHBondContact O-N 2.98Å; E347-A349 VanDerWaalsContact C-N 3.34Å; A349-Q352 PolarHBondContact O-N 3.3Å; A349-L353 WeakPolarHBondContact O-CG 3.49Å; A349-L353 PolarHBondContact O-N 2.92Å; A349-L353 VanDerWaalsContact O-N 3.07Å; A349-L393 HydrophobicContact CB-CD2 4.13Å
350	L	95.8	Very high	91.8	Very high	32 Å²	32	44.1 Å²	44.1	17%	0.168	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-49.5	177.8	-178	64.4	0	0	0	112.2	T346 E347 R348 Q352 L353 E354 Q390 L393 L394 I397	T346-L350 PolarHBondContact O-N 3.17Å; E347-L350 PolarHBondContact O-N 2.95Å; R348-L350 VanDerWaalsContact C-N 3.35Å; R348-L350 PolarHBondContact O-N 3.31Å; L350-Q352 VanDerWaalsContact C-N 3.25Å; L350-Q352 PolarHBondContact O-N 2.98Å; L350-L353 PolarHBondContact O-N 3.17Å; L350-E354 PolarHBondContact O-N 3.39Å; L350-Q390 HydrophobicContact CD1-CG 3.8Å; L350-L393 HydrophobicContact CB-CD2 3.82Å; L350-L393 HydrophobicContact CB-CG 4.49Å; L350-L393 HydrophobicContact CD1-CD2 4.14Å; L350-L393 HydrophobicContact CD1-CG 4.28Å; L350-L394 HydrophobicContact CD1-CD2 4Å; L350-L394 HydrophobicContact CD1-CG 3.89Å; L350-L394 HydrophobicContact CD2-CD2 3.81Å; L350-I397 HydrophobicContact CD2-CD1 4.03Å
351	S	95.4	Very high	91.7	Very high	43 Å²	43	50.5 Å²	50.5	30%	0.301	25%	0.253	S	S	.	.	H	α-helix	trans	-59.8	-37.2	178	-60.6	0	0	0	0	111.9	E347 R348 E354 E355	E347-S351 WeakPolarHBondContact O-CB 3.49Å; E347-S351 PolarHBondContact O-N 2.89Å; E347-S351 PolarHBondContact O-OG 3.1Å; R348-S351 PolarHBondContact O-N 3.28Å; S351-E354 PolarHBondContact O-N 2.98Å; S351-E355 WeakPolarHBondContact O-CB 3.41Å; S351-E355 PolarHBondContact O-N 2.9Å
352	Q	96.8	Very high	91.6	Very high	1 Å²	1	51 Å²	51	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-67.7	-42.4	177.1	-174.4	68.9	78.3	0	0	111.8	Q247 I249 L332 S336 R348 A349 L350 E354 E355 L356	Q247-Q352 PolarHBondContact O-NE2 2.96Å; I249-Q352 HydrophobicContact CB-CB 4.45Å; I249-Q352 HydrophobicContact CG1-CB 4.27Å; L332-Q352 HydrophobicContact CB-CG 4.21Å; S336-Q352 WeakPolarHBondContact OG-CB 3Å; S336-Q352 VanDerWaalsContact OG-CG 3.31Å; S336-Q352 WeakPolarHBondContact OG-CG 3.2Å; R348-Q352 WeakPolarHBondContact O-CB 3.44Å; R348-Q352 PolarHBondContact O-N 2.89Å; A349-Q352 PolarHBondContact O-N 3.3Å; L350-Q352 VanDerWaalsContact C-N 3.25Å; L350-Q352 PolarHBondContact O-N 2.98Å; Q352-E354 VanDerWaalsContact C-N 3.32Å; Q352-E355 PolarHBondContact O-N 3.03Å; Q352-L356 HydrophobicContact CG-CD1 4.46Å; Q352-L356 WeakPolarHBondContact O-CB 3.44Å; Q352-L356 VanDerWaalsContact O-CG 3.27Å; Q352-L356 WeakPolarHBondContact O-CG 3.39Å; Q352-L356 PolarHBondContact O-N 3.23Å
353	L	96.3	Very high	91.1	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-64	-37.9	175.3	-70	175.6	0	0	0	112.1	F333 A349 L350 S357 L386 Q390 L393	F333-L353 HydrophobicContact CD2-CD2 3.59Å; F333-L353 HydrophobicContact CE2-CD2 4.03Å; A349-L353 WeakPolarHBondContact O-CG 3.49Å; A349-L353 PolarHBondContact O-N 2.92Å; A349-L353 VanDerWaalsContact O-N 3.07Å; L350-L353 PolarHBondContact O-N 3.17Å; L353-S357 WeakPolarHBondContact O-CB 3.46Å; L353-S357 PolarHBondContact O-N 3.16Å; L353-S357 PolarHBondContact O-OG 3.38Å; L353-L386 HydrophobicContact CD2-CD2 4.44Å; L353-Q390 HydrophobicContact CB-CB 4.16Å; L353-Q390 HydrophobicContact CB-CG 4.32Å; L353-Q390 HydrophobicContact CD1-CB 4.45Å; L353-L393 HydrophobicContact CD1-CD2 4.09Å
354	E	94.9	Very high	90.7	Very high	102 Å²	102	52 Å²	52	48%	0.477	26%	0.258	S	S	.	.	H	α-helix	trans	-64.1	-45	174.9	-172.6	173.6	-179.5	0	0	111.7	L350 S351 Q352 S357 C358	L350-E354 PolarHBondContact O-N 3.39Å; S351-E354 PolarHBondContact O-N 2.98Å; Q352-E354 VanDerWaalsContact C-N 3.32Å; E354-S357 WeakPolarHBondContact O-CB 3.41Å; E354-S357 PolarHBondContact O-N 3.37Å; E354-C358 WeakPolarHBondContact O-CB 3.38Å; E354-C358 PolarHBondContact O-N 3.21Å; E354-C358 PolarHBondContact O-SG 3.15Å; E354-C358 VanDerWaalsContact O-SG 3.32Å
355	E	94.7	Very high	90.3	Very high	25 Å²	25	46.1 Å²	46.1	12%	0.117	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-45	177	176.1	52.3	-149.7	0	0	111.8	Q247 I249 S351 Q352 S357 C358 Q359 R362	Q247-E355 HydrophobicContact CB-CG 3.9Å; Q247-E355 WeakPolarHBondContact CB-OE1 3.2Å; I249-E355 HydrophobicContact CD1-CB 4.22Å; I249-E355 HydrophobicContact CD1-CG 4.2Å; I249-E355 HydrophobicContact CG1-CB 4.31Å; S351-E355 WeakPolarHBondContact O-CB 3.41Å; S351-E355 PolarHBondContact O-N 2.9Å; Q352-E355 PolarHBondContact O-N 3.03Å; E355-S357 VanDerWaalsContact C-N 3.26Å; E355-S357 PolarHBondContact O-N 3.01Å; E355-C358 PolarHBondContact O-N 2.92Å; E355-Q359 PolarHBondContact O-N 3.17Å; E355-Q359 VanDerWaalsContact O-N 3.11Å; E355-R362 IonicContact OE1-CZ 2.74Å; E355-R362 IonicContact OE1-NH1 3.63Å; E355-R362 PolarHBondContact OE1-NH1 3.11Å; E355-R362 IonicContact OE1-NH2 3.21Å; E355-R362 PolarHBondContact OE1-NH2 3.47Å; E355-R362 IonicContact OE2-CZ 3.44Å; E355-R362 IonicContact OE2-NH2 3.71Å; E355-R362 PolarHBondContact OE2-NH2 3.33Å
356	L	94.5	Very high	89.8	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-31.5	174.4	-68.7	179.3	0	0	0	112.2	P246 T329 L332 F333 Q352 Q359 F360 L386	P246-L356 HydrophobicContact CB-CD2 3.99Å; T329-L356 HydrophobicContact CG2-CD1 4.41Å; T329-L356 HydrophobicContact CG2-CD2 4.12Å; L332-L356 HydrophobicContact CB-CD1 3.94Å; L332-L356 HydrophobicContact CB-CD2 4.31Å; L332-L356 HydrophobicContact CD1-CD2 4.19Å; F333-L356 HydrophobicContact CB-CD1 4.11Å; Q352-L356 HydrophobicContact CG-CD1 4.46Å; Q352-L356 WeakPolarHBondContact O-CB 3.44Å; Q352-L356 VanDerWaalsContact O-CG 3.27Å; Q352-L356 WeakPolarHBondContact O-CG 3.39Å; Q352-L356 PolarHBondContact O-N 3.23Å; L356-Q359 WeakPolarHBondContact O-CG 3.31Å; L356-Q359 PolarHBondContact O-NE2 2.82Å; L356-F360 WeakPolarHBondContact O-CD2 3.47Å; L356-L386 HydrophobicContact CB-CD1 4.44Å; L356-L386 HydrophobicContact CB-CD2 4.15Å; L356-L386 HydrophobicContact CD1-CD2 4.19Å
357	S	92	Very high	89.1	Confident	4 Å²	4	45.5 Å²	45.5	3%	0.028	24%	0.24	C	C	.	.	H	α-helix	trans	-73.7	-39	174.8	-61.5	0	0	0	0	111.7	L353 E354 E355 Q359 F360	L353-S357 WeakPolarHBondContact O-CB 3.46Å; L353-S357 PolarHBondContact O-N 3.16Å; L353-S357 PolarHBondContact O-OG 3.38Å; E354-S357 WeakPolarHBondContact O-CB 3.41Å; E354-S357 PolarHBondContact O-N 3.37Å; E355-S357 VanDerWaalsContact C-N 3.26Å; E355-S357 PolarHBondContact O-N 3.01Å; S357-Q359 PolarHBondContact O-N 2.89Å; S357-F360 PolarHBondContact O-N 3.38Å
358	C	90.5	Very high	88.4	Confident	43 Å²	43	41.7 Å²	41.7	29%	0.291	23%	0.23	S	C	.	.	H	α-helix	trans	-65.7	-26.4	177.9	-75	0	0	0	0	113	E354 E355 F360 K361	E354-C358 WeakPolarHBondContact O-CB 3.38Å; E354-C358 PolarHBondContact O-N 3.21Å; E354-C358 PolarHBondContact O-SG 3.15Å; E354-C358 VanDerWaalsContact O-SG 3.32Å; E355-C358 PolarHBondContact O-N 2.92Å; C358-F360 PolarHBondContact O-N 3.42Å; C358-F360 VanDerWaalsContact O-N 3.14Å; C358-K361 WeakPolarHBondContact O-CB 3.49Å; C358-K361 PolarHBondContact O-N 2.98Å
359	Q	87.5	Confident	87.8	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.009	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-58.1	-28.6	-179.4	91	-167.1	-20.5	0	0	113.6	W325 T329 E355 L356 S357 K361 R362	W325-Q359 HydrophobicContact CZ2-CB 4.04Å; W325-Q359 HydrophobicContact CZ2-CG 4.22Å; T329-Q359 PolarHBondContact OG1-NE2 3.34Å; E355-Q359 PolarHBondContact O-N 3.17Å; E355-Q359 VanDerWaalsContact O-N 3.11Å; L356-Q359 WeakPolarHBondContact O-CG 3.31Å; L356-Q359 PolarHBondContact O-NE2 2.82Å; S357-Q359 PolarHBondContact O-N 2.89Å; Q359-K361 PolarHBondContact O-N 3.46Å; Q359-R362 PolarHBondContact O-N 2.81Å
360	F	84.8	Confident	87.4	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.018	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-69.2	-24	178.2	-72.1	-92.6	0	0	0	112.8	F62 G65 L356 S357 C358 M380 I383 L386	F62-F360 WeakPolarHBondContact O-CE1 3.35Å; F62-F360 WeakPolarHBondContact O-CZ 3.35Å; G65-F360 CarbonylContact C-O 3.53Å; G65-F360 VanDerWaalsContact CA-O 3.23Å; G65-F360 WeakPolarHBondContact CA-O 3.46Å; G65-F360 PolarHBondContact N-O 3.02Å; L356-F360 WeakPolarHBondContact O-CD2 3.47Å; S357-F360 PolarHBondContact O-N 3.38Å; C358-F360 PolarHBondContact O-N 3.42Å; C358-F360 VanDerWaalsContact O-N 3.14Å; F360-M380 HydrophobicContact CE2-CE 4.44Å; F360-M380 HydrophobicContact CZ-CE 3.81Å; F360-I383 HydrophobicContact CB-CD1 3.68Å; F360-I383 HydrophobicContact CB-CG1 4.31Å; F360-I383 HydrophobicContact CD1-CB 3.98Å; F360-I383 HydrophobicContact CD1-CD1 4.29Å; F360-I383 HydrophobicContact CD1-CG1 4.37Å; F360-I383 HydrophobicContact CD2-CB 4.18Å; F360-I383 HydrophobicContact CD2-CD1 4.32Å; F360-I383 HydrophobicContact CD2-CG1 4Å; F360-I383 HydrophobicContact CE1-CB 3.99Å; F360-I383 HydrophobicContact CE2-CB 4.24Å; F360-I383 HydrophobicContact CE2-CG1 4.46Å; F360-I383 HydrophobicContact CG-CB 4.07Å; F360-I383 HydrophobicContact CG-CD1 3.85Å; F360-I383 HydrophobicContact CG-CG1 3.97Å; F360-I383 HydrophobicContact CZ-CB 4.13Å; F360-L386 HydrophobicContact CD2-CD1 4.48Å; F360-L386 HydrophobicContact CE2-CD1 3.44Å; F360-L386 VanDerWaalsContact CE2-CD1 3.44Å; F360-L386 HydrophobicContact CZ-CD1 4.01Å
361	K	83.8	Confident	86.8	Confident	167 Å²	167	45.5 Å²	45.5	73%	0.726	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-86.1	-9.4	177.6	-60.5	178.7	179.6	175.7	0	112.8	C358 Q359	C358-K361 WeakPolarHBondContact O-CB 3.49Å; C358-K361 PolarHBondContact O-N 2.98Å; Q359-K361 PolarHBondContact O-N 3.46Å
362	R	84.7	Confident	86.1	Confident	94 Å²	94	45 Å²	45	36%	0.355	25%	0.246	S	C	.	.			trans	-89.6	135.9	-178.1	-62.6	-178.1	-177.6	159.9	7.7	110.2	E355 Q359 R370	E355-R362 IonicContact OE1-CZ 2.74Å; E355-R362 IonicContact OE1-NH1 3.63Å; E355-R362 PolarHBondContact OE1-NH1 3.11Å; E355-R362 IonicContact OE1-NH2 3.21Å; E355-R362 PolarHBondContact OE1-NH2 3.47Å; E355-R362 IonicContact OE2-CZ 3.44Å; E355-R362 IonicContact OE2-NH2 3.71Å; E355-R362 PolarHBondContact OE2-NH2 3.33Å; Q359-R362 PolarHBondContact O-N 2.81Å; R362-R370 PolarHBondContact O-NH2 3.39Å
363	T	76.1	Confident	85.5	Confident	109 Å²	109	48.5 Å²	48.5	67%	0.669	27%	0.271	S	S	*	.			trans	-80.7	-19.2	174.7	52.2	0	0	0	0	113.1	P365	T363-P365 CarbonylContact O-C 3.51Å
364	S	79.8	Confident	85.1	Confident	91 Å²	91	48.8 Å²	48.8	64%	0.636	27%	0.273	S	S	*	.			trans	-111.7	131.9	175	178.4	0	0	0	0	110.3
365	P	82.1	Confident	85.1	Confident	7 Å²	7	44 Å²	44	5%	0.045	25%	0.25	C	S	.	.	S	Bend	cis	-76.4	161.3	-1.9	35.3	-38.9	0	0	0	113	P244 W325 T363 E369 R370	P244-P365 HydrophobicContact CB-CB 3.67Å; P244-P365 HydrophobicContact CB-CG 3.86Å; P244-P365 HydrophobicContact CG-CB 3.15Å; P244-P365 HydrophobicContact CG-CG 3.61Å; W325-P365 HydrophobicContact CD2-CG 4.3Å; W325-P365 HydrophobicContact CE3-CG 3.49Å; W325-P365 VanDerWaalsContact CE3-CG 3.49Å; W325-P365 VanDerWaalsContact CH2-CD 3.46Å; W325-P365 HydrophobicContact CH2-CG 3.88Å; W325-P365 HydrophobicContact CZ3-CG 3.26Å; T363-P365 CarbonylContact O-C 3.51Å; P365-E369 HydrophobicContact CB-CB 3.99Å; P365-E369 WeakPolarHBondContact CB-OE2 3.4Å; P365-R370 HydrophobicContact CG-CG 3.93Å; P365-R370 PolarHBondContact O-NE 3Å; P365-R370 PolarHBondContact O-NH2 3.36Å
366	S	80.4	Confident	85.1	Confident	53 Å²	53	43.6 Å²	43.6	37%	0.371	25%	0.248	S	C	.	.			trans	-64	158.7	178.6	65.3	0	0	0	0	111.8	S368 E369 R370	S366-S368 VanDerWaalsContact C-N 3.31Å; S366-S368 PolarHBondContact O-N 2.79Å; S366-E369 WeakPolarHBondContact CB-OE2 3.5Å; S366-E369 PolarHBondContact N-OE2 2.72Å; S366-E369 WeakPolarHBondContact O-CB 3.06Å; S366-E369 PolarHBondContact O-N 3.45Å; S366-E369 VanDerWaalsContact O-N 3.09Å; S366-E369 WeakPolarHBondContact OG-CG 3.43Å; S366-E369 PolarHBondContact OG-OE2 3.34Å; S366-R370 PolarHBondContact O-N 2.84Å; S366-R370 VanDerWaalsContact O-N 3.16Å
367	F	78.3	Confident	85	Confident	13 Å²	13	43.8 Å²	43.8	6%	0.057	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-46	-179.5	170.9	-99.5	0	0	0	113	H11 A59 I63 D64 E369 R370 P372	H11-F367 AromaticContact CD2-CE1 3.33Å; H11-F367 WeakPolarHBondContact CD2-CE1 3.28Å; H11-F367 AromaticContact CD2-CZ 3.87Å; H11-F367 AromaticContact NE2-CE1 3.59Å; A59-F367 HydrophobicContact CB-CD2 4.07Å; A59-F367 HydrophobicContact CB-CE2 3.26Å; A59-F367 HydrophobicContact CB-CZ 3.7Å; I63-F367 HydrophobicContact CB-CE2 4.26Å; I63-F367 HydrophobicContact CD1-CE2 4.44Å; I63-F367 HydrophobicContact CG2-CD2 3.89Å; I63-F367 HydrophobicContact CG2-CE2 3.97Å; D64-F367 HydrophobicContact CB-CD2 4.08Å; F367-E369 VanDerWaalsContact C-N 3.3Å; F367-E369 PolarHBondContact O-N 2.91Å; F367-R370 WeakPolarHBondContact O-CB 3.38Å; F367-R370 PolarHBondContact O-N 3.19Å; F367-R370 VanDerWaalsContact O-N 3.11Å; F367-P372 HydrophobicContact CE1-CB 4.43Å; F367-P372 HydrophobicContact CE1-CG 3.84Å; F367-P372 HydrophobicContact CE2-CB 4.06Å; F367-P372 HydrophobicContact CE2-CG 4.27Å; F367-P372 HydrophobicContact CZ-CB 3.68Å; F367-P372 HydrophobicContact CZ-CG 3.59Å
368	S	78.3	Confident	85	Confident	74 Å²	74	43.6 Å²	43.6	52%	0.517	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-64.5	-34.3	179.8	-59	0	0	0	0	112.7	S366 R370 S371	S366-S368 VanDerWaalsContact C-N 3.31Å; S366-S368 PolarHBondContact O-N 2.79Å; S368-R370 VanDerWaalsContact C-N 3.27Å; S368-R370 PolarHBondContact O-N 2.81Å; S368-S371 PolarHBondContact O-N 3.36Å
369	E	82.1	Confident	85.1	Confident	94 Å²	94	42 Å²	42	44%	0.439	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-71.3	-23	176.1	-70.1	168.4	145.8	0	0	112.6	P244 P365 S366 F367 S371	P244-E369 HydrophobicContact CG-CB 3.87Å; P365-E369 HydrophobicContact CB-CB 3.99Å; P365-E369 WeakPolarHBondContact CB-OE2 3.4Å; S366-E369 WeakPolarHBondContact CB-OE2 3.5Å; S366-E369 PolarHBondContact N-OE2 2.72Å; S366-E369 WeakPolarHBondContact O-CB 3.06Å; S366-E369 PolarHBondContact O-N 3.45Å; S366-E369 VanDerWaalsContact O-N 3.09Å; S366-E369 WeakPolarHBondContact OG-CG 3.43Å; S366-E369 PolarHBondContact OG-OE2 3.34Å; F367-E369 VanDerWaalsContact C-N 3.3Å; F367-E369 PolarHBondContact O-N 2.91Å; E369-S371 PolarHBondContact O-N 2.9Å
370	R	85.8	Confident	85.4	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.008	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-72.8	-2.6	174	-64.2	179.1	-165	-159.4	0.4	113.2	I63 W325 P326 R362 P365 S366 F367 S368	I63-R370 HydrophobicContact CG2-CB 3.64Å; I63-R370 HydrophobicContact CG2-CG 4.26Å; I63-R370 PolarHBondContact O-NH1 3.3Å; W325-R370 HydrophobicContact CB-CB 4Å; W325-R370 HydrophobicContact CB-CG 4.28Å; W325-R370 WeakPolarHBondContact CB-O 3.08Å; W325-R370 HydrophobicContact CD2-CG 4.11Å; W325-R370 HydrophobicContact CE3-CG 4.49Å; W325-R370 HydrophobicContact CG-CB 4.17Å; W325-R370 HydrophobicContact CG-CG 4Å; P326-R370 VanDerWaalsContact CD-O 3.26Å; P326-R370 WeakPolarHBondContact CD-O 3.36Å; R362-R370 PolarHBondContact O-NH2 3.39Å; P365-R370 HydrophobicContact CG-CG 3.93Å; P365-R370 PolarHBondContact O-NE 3Å; P365-R370 PolarHBondContact O-NH2 3.36Å; S366-R370 PolarHBondContact O-N 2.84Å; S366-R370 VanDerWaalsContact O-N 3.16Å; F367-R370 WeakPolarHBondContact O-CB 3.38Å; F367-R370 PolarHBondContact O-N 3.19Å; F367-R370 VanDerWaalsContact O-N 3.11Å; S368-R370 VanDerWaalsContact C-N 3.27Å; S368-R370 PolarHBondContact O-N 2.81Å
371	S	83.2	Confident	85.9	Confident	26 Å²	26	41.8 Å²	41.8	18%	0.182	24%	0.235	C	C	.	.			trans	54.2	63.7	173.4	-56.9	0	0	0	0	113.7	S368 E369 S373 T374	S368-S371 PolarHBondContact O-N 3.36Å; E369-S371 PolarHBondContact O-N 2.9Å; S371-S373 PolarHBondContact O-N 3.38Å; S371-S373 VanDerWaalsContact O-N 3.08Å; S371-T374 PolarHBondContact O-N 2.9Å; S371-T374 VanDerWaalsContact O-N 3.16Å; S371-T374 PolarHBondContact O-OG1 2.96Å; S371-T374 VanDerWaalsContact O-OG1 3.07Å
372	P	82.4	Confident	86.4	Confident	33 Å²	33	33.9 Å²	33.9	21%	0.214	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-59.5	-23	-176	26	-37.3	0	0	0	114.9	I63 F367 T374 F375	I63-P372 HydrophobicContact CD1-CB 3.5Å; F367-P372 HydrophobicContact CE1-CB 4.43Å; F367-P372 HydrophobicContact CE1-CG 3.84Å; F367-P372 HydrophobicContact CE2-CB 4.06Å; F367-P372 HydrophobicContact CE2-CG 4.27Å; F367-P372 HydrophobicContact CZ-CB 3.68Å; F367-P372 HydrophobicContact CZ-CG 3.59Å; P372-T374 PolarHBondContact O-N 3.36Å; P372-F375 VanDerWaalsContact O-CB 3.27Å; P372-F375 WeakPolarHBondContact O-CB 3.18Å; P372-F375 PolarHBondContact O-N 3.34Å; P372-F375 VanDerWaalsContact O-N 3.16Å
373	S	83.2	Confident	86.7	Confident	75 Å²	75	31 Å²	31	52%	0.524	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-60	-27.3	176.9	55.1	0	0	0	0	113.6	S371 F375	S371-S373 PolarHBondContact O-N 3.38Å; S371-S373 VanDerWaalsContact O-N 3.08Å; S373-F375 VanDerWaalsContact C-N 3.3Å; S373-F375 PolarHBondContact O-N 3.36Å
374	T	88.9	Confident	87.5	Confident	7 Å²	7	26.3 Å²	26.3	4%	0.043	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-86.2	1.2	-179.3	67.9	0	0	0	0	113.7	S324 P326 S371 P372 F376 L377 S378	S324-T374 VanDerWaalsContact CB-OG1 3.23Å; S324-T374 WeakPolarHBondContact CB-OG1 3.35Å; S324-T374 WeakPolarHBondContact OG-CB 3.39Å; S324-T374 PolarHBondContact OG-OG1 2.86Å; P326-T374 WeakPolarHBondContact CD-OG1 3.31Å; P326-T374 WeakPolarHBondContact CG-OG1 3.11Å; S371-T374 PolarHBondContact O-N 2.9Å; S371-T374 VanDerWaalsContact O-N 3.16Å; S371-T374 PolarHBondContact O-OG1 2.96Å; S371-T374 VanDerWaalsContact O-OG1 3.07Å; P372-T374 PolarHBondContact O-N 3.36Å; T374-F376 PolarHBondContact O-N 3.06Å; T374-L377 PolarHBondContact O-N 2.91Å; T374-S378 PolarHBondContact O-N 3.41Å; T374-S378 PolarHBondContact O-OG 3.38Å; T374-S378 VanDerWaalsContact O-OG 3.06Å
375	F	93.5	Very high	88.3	Confident	1 Å²	1	23.6 Å²	23.6	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-56.4	-50.8	179.3	170.3	-101	0	0	0	112.2	V58 F62 I63 Y131 L132 P372 S373 L377 S378 R379 M380	V58-F375 HydrophobicContact CB-CD1 4.35Å; V58-F375 HydrophobicContact CG1-CB 3.87Å; V58-F375 HydrophobicContact CG1-CD1 3.57Å; V58-F375 HydrophobicContact CG1-CD2 3.77Å; V58-F375 HydrophobicContact CG1-CE1 4.03Å; V58-F375 HydrophobicContact CG1-CE2 4.21Å; V58-F375 HydrophobicContact CG1-CG 3.42Å; V58-F375 VanDerWaalsContact CG1-CG 3.42Å; V58-F375 HydrophobicContact CG1-CZ 4.32Å; V58-F375 HydrophobicContact CG2-CD1 3.74Å; V58-F375 HydrophobicContact CG2-CE1 3.71Å; V58-F375 HydrophobicContact CG2-CG 4.46Å; V58-F375 HydrophobicContact CG2-CZ 4.4Å; F62-F375 HydrophobicContact CB-CD2 4.16Å; F62-F375 HydrophobicContact CB-CE2 3.69Å; F62-F375 HydrophobicContact CB-CZ 4.42Å; F62-F375 AromaticContact CD1-CE2 3.44Å; F62-F375 HydrophobicContact CD1-CE2 3.44Å; F62-F375 VanDerWaalsContact CD1-CE2 3.44Å; F62-F375 AromaticContact CD1-CZ 3.71Å; F62-F375 HydrophobicContact CD1-CZ 3.71Å; F62-F375 HydrophobicContact CD2-CE2 4.19Å; F62-F375 HydrophobicContact CD2-CZ 4.08Å; F62-F375 HydrophobicContact CE1-CE2 4.05Å; F62-F375 AromaticContact CE1-CZ 3.86Å; F62-F375 HydrophobicContact CE1-CZ 3.86Å; F62-F375 HydrophobicContact CE2-CZ 4.23Å; F62-F375 HydrophobicContact CG-CD2 4.43Å; F62-F375 AromaticContact CG-CE2 3.51Å; F62-F375 HydrophobicContact CG-CE2 3.51Å; F62-F375 AromaticContact CG-CZ 3.82Å; F62-F375 HydrophobicContact CG-CZ 3.82Å; F62-F375 HydrophobicContact CZ-CZ 4.12Å; I63-F375 HydrophobicContact CD1-CB 4.48Å; Y131-F375 HydrophobicContact CE1-CE1 4.34Å; Y131-F375 HydrophobicContact CE1-CZ 4.35Å; L132-F375 HydrophobicContact CD2-CE1 3.87Å; L132-F375 HydrophobicContact CD2-CZ 3.96Å; P372-F375 VanDerWaalsContact O-CB 3.27Å; P372-F375 WeakPolarHBondContact O-CB 3.18Å; P372-F375 PolarHBondContact O-N 3.34Å; P372-F375 VanDerWaalsContact O-N 3.16Å; S373-F375 VanDerWaalsContact C-N 3.3Å; S373-F375 PolarHBondContact O-N 3.36Å; F375-L377 PolarHBondContact O-N 3.27Å; F375-S378 PolarHBondContact O-N 3.34Å; F375-S378 PolarHBondContact O-OG 3.25Å; F375-S378 VanDerWaalsContact O-OG 3.12Å; F375-R379 WeakPolarHBondContact O-CA 3.22Å; F375-R379 PolarHBondContact O-N 3.21Å; F375-M380 HydrophobicContact CD2-CB 4.28Å; F375-M380 HydrophobicContact CE2-CB 4.43Å; F375-M380 WeakPolarHBondContact CE2-O 3.34Å
376	F	94.6	Very high	88.9	Confident	17 Å²	17	23.2 Å²	23.2	8%	0.075	14%	0.139	C	C	.	.	H	α-helix	trans	-70.3	-20.7	-177.5	-71	-72.1	0	0	0	113.6	M54 V58 K128 Y131 L132 L175 T374	M54-F376 HydrophobicContact CG-CE2 3.98Å; M54-F376 HydrophobicContact CG-CZ 3.79Å; M54-F376 HydrophobicContact SD-CZ 3.8Å; V58-F376 HydrophobicContact CG2-CE2 4.32Å; V58-F376 HydrophobicContact CG2-CZ 4.05Å; K128-F376 HydrophobicContact CB-CD1 4.06Å; K128-F376 HydrophobicContact CB-CE1 3.53Å; K128-F376 HydrophobicContact CB-CE2 4.44Å; K128-F376 HydrophobicContact CB-CZ 3.75Å; K128-F376 HydrophobicContact CD-CD1 4.19Å; K128-F376 HydrophobicContact CD-CD2 3.8Å; K128-F376 HydrophobicContact CD-CE1 4.17Å; K128-F376 HydrophobicContact CD-CE2 3.78Å; K128-F376 HydrophobicContact CD-CG 4.01Å; K128-F376 HydrophobicContact CD-CZ 3.97Å; K128-F376 HydrophobicContact CG-CD1 3.67Å; K128-F376 HydrophobicContact CG-CD2 4.23Å; K128-F376 HydrophobicContact CG-CE1 3.67Å; K128-F376 HydrophobicContact CG-CE2 4.22Å; K128-F376 HydrophobicContact CG-CG 3.96Å; K128-F376 HydrophobicContact CG-CZ 3.95Å; Y131-F376 HydrophobicContact CD1-CD1 4.34Å; Y131-F376 HydrophobicContact CD1-CE1 4.28Å; L132-F376 HydrophobicContact CD1-CE1 4.17Å; L132-F376 HydrophobicContact CD1-CZ 4.05Å; L132-F376 HydrophobicContact CG-CE1 4.18Å; L175-F376 HydrophobicContact CD1-CB 4.42Å; L175-F376 HydrophobicContact CD1-CD1 4.27Å; T374-F376 PolarHBondContact O-N 3.06Å
377	L	92.8	Very high	89.6	Confident	3 Å²	3	21.7 Å²	21.7	2%	0.016	13%	0.126	C	C	.	.	H	α-helix	trans	-73.4	-49.7	171.8	-64.6	173.1	0	0	0	110.8	I170 Q171 M174 T274 T374 F375	I170-L377 HydrophobicContact CG2-CD2 4.03Å; Q171-L377 HydrophobicContact CG-CD2 3.58Å; Q171-L377 HydrophobicContact CG-CG 4.13Å; M174-L377 WeakPolarHBondContact CE-O 3.39Å; M174-L377 HydrophobicContact SD-CD2 3.95Å; T274-L377 HydrophobicContact CG2-CD1 4.01Å; T374-L377 PolarHBondContact O-N 2.91Å; F375-L377 PolarHBondContact O-N 3.27Å
378	S	91.7	Very high	90.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-77.5	-35.6	-176.5	59.2	0	0	0	0	113.9	P326 E330 T374 F375 M380	P326-S378 WeakPolarHBondContact CB-OG 3.47Å; E330-S378 WeakPolarHBondContact CG-O 3.38Å; T374-S378 PolarHBondContact O-N 3.41Å; T374-S378 PolarHBondContact O-OG 3.38Å; T374-S378 VanDerWaalsContact O-OG 3.06Å; F375-S378 PolarHBondContact O-N 3.34Å; F375-S378 PolarHBondContact O-OG 3.25Å; F375-S378 VanDerWaalsContact O-OG 3.12Å; S378-M380 VanDerWaalsContact C-N 3.32Å
379	R	93.7	Very high	91.2	Very high	9 Å²	9	19.9 Å²	19.9	3%	0.034	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	41.4	-170.9	-65.4	163.1	-69.6	137.3	11	112.7	Y131 L175 F375	Y131-R379 HydrophobicContact CE1-CG 4.34Å; Y131-R379 HydrophobicContact CE2-CB 4.44Å; Y131-R379 HydrophobicContact CE2-CG 4.01Å; Y131-R379 WeakPolarHBondContact OH-CB 3.3Å; L175-R379 HydrophobicContact CD2-CG 4.26Å; F375-R379 WeakPolarHBondContact O-CA 3.22Å; F375-R379 PolarHBondContact O-N 3.21Å
380	M	94	Very high	91.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-48.9	140.4	177.9	177.6	-173.1	168.3	0	0	112.4	F62 P326 T329 F360 F375 S378	F62-M380 WeakPolarHBondContact CD1-O 3.04Å; F62-M380 WeakPolarHBondContact O-CE 3.11Å; P326-M380 HydrophobicContact CB-CB 3.99Å; P326-M380 HydrophobicContact CB-SD 3.92Å; P326-M380 HydrophobicContact CG-SD 4.4Å; T329-M380 HydrophobicContact CG2-CE 3.55Å; T329-M380 HydrophobicContact CG2-CG 3.8Å; T329-M380 HydrophobicContact CG2-SD 4.12Å; F360-M380 HydrophobicContact CE2-CE 4.44Å; F360-M380 HydrophobicContact CZ-CE 3.81Å; F375-M380 HydrophobicContact CD2-CB 4.28Å; F375-M380 HydrophobicContact CE2-CB 4.43Å; F375-M380 WeakPolarHBondContact CE2-O 3.34Å; S378-M380 VanDerWaalsContact C-N 3.32Å
381	P	94.9	Very high	92.4	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.019	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-71.1	153.2	177.9	31.6	-39.6	0	0	0	112.2	Y135 E330 F333 T385 L386	Y135-P381 WeakPolarHBondContact OH-CA 3.47Å; E330-P381 VanDerWaalsContact OE2-CD 3.25Å; E330-P381 WeakPolarHBondContact OE2-CD 3.43Å; F333-P381 HydrophobicContact CB-CG 4.24Å; F333-P381 HydrophobicContact CD1-CB 4.21Å; F333-P381 HydrophobicContact CD1-CG 3.67Å; F333-P381 HydrophobicContact CD2-CG 4.27Å; F333-P381 HydrophobicContact CE1-CB 3.99Å; F333-P381 HydrophobicContact CE1-CG 3.97Å; F333-P381 HydrophobicContact CG-CG 3.81Å; F333-P381 HydrophobicContact CZ-CB 4.24Å; F333-P381 HydrophobicContact CZ-CG 4.37Å; P381-T385 HydrophobicContact CB-CG2 3.96Å; P381-L386 HydrophobicContact CB-CD2 4.5Å; P381-L386 HydrophobicContact CB-CG 4.2Å; P381-L386 HydrophobicContact CG-CD1 4.25Å; P381-L386 HydrophobicContact CG-CD2 3.71Å; P381-L386 HydrophobicContact CG-CG 3.79Å
382	S	93.8	Very high	93.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-71.8	167	169.6	64.8	0	0	0	0	112.2	N61 Y135 W384 T385 L386	N61-S382 WeakPolarHBondContact O-CB 3.44Å; Y135-S382 PolarHBondContact OH-N 3.47Å; Y135-S382 PolarHBondContact OH-OG 2.95Å; S382-W384 VanDerWaalsContact C-N 3.31Å; S382-W384 VanDerWaalsContact CB-CE2 3.47Å; S382-W384 PolarHBondContact O-N 3.33Å; S382-W384 VanDerWaalsContact OG-CD1 3.31Å; S382-W384 WeakPolarHBondContact OG-CZ2 3.41Å; S382-W384 PolarHBondContact OG-NE1 2.91Å; S382-T385 PolarHBondContact O-N 3.45Å; S382-T385 PolarHBondContact OG-N 3.38Å; S382-T385 PolarHBondContact OG-OG1 3.15Å; S382-T385 VanDerWaalsContact OG-OG1 3.08Å; S382-L386 PolarHBondContact O-N 3.46Å; S382-L386 VanDerWaalsContact O-N 3.07Å
383	I	91.8	Very high	93.6	Very high	33 Å²	33	17.6 Å²	17.6	17%	0.169	9%	0.091	C	C	.	.	H	α-helix	trans	-56.8	-42.1	175.9	-172.1	175.2	0	0	0	112.8	F360 L386 Q387 W410	F360-I383 HydrophobicContact CB-CD1 3.68Å; F360-I383 HydrophobicContact CB-CG1 4.31Å; F360-I383 HydrophobicContact CD1-CB 3.98Å; F360-I383 HydrophobicContact CD1-CD1 4.29Å; F360-I383 HydrophobicContact CD1-CG1 4.37Å; F360-I383 HydrophobicContact CD2-CB 4.18Å; F360-I383 HydrophobicContact CD2-CD1 4.32Å; F360-I383 HydrophobicContact CD2-CG1 4Å; F360-I383 HydrophobicContact CE1-CB 3.99Å; F360-I383 HydrophobicContact CE2-CB 4.24Å; F360-I383 HydrophobicContact CE2-CG1 4.46Å; F360-I383 HydrophobicContact CG-CB 4.07Å; F360-I383 HydrophobicContact CG-CD1 3.85Å; F360-I383 HydrophobicContact CG-CG1 3.97Å; F360-I383 HydrophobicContact CZ-CB 4.13Å; I383-L386 PolarHBondContact O-N 2.87Å; I383-Q387 WeakPolarHBondContact O-CG 3.38Å; I383-Q387 PolarHBondContact O-N 3.01Å; I383-Q387 VanDerWaalsContact O-N 3.1Å; I383-W410 HydrophobicContact CG1-CZ2 4.43Å; I383-W410 HydrophobicContact CG2-CH2 3.99Å; I383-W410 HydrophobicContact CG2-CZ2 4.3Å
384	W	93.1	Very high	94.3	Very high	11 Å²	11	14.9 Å²	14.9	4%	0.042	7%	0.07	C	C	.	.	H	α-helix	trans	-69.4	-38.1	-179.6	60	83.5	0	0	0	111.4	N61 F92 Y135 L136 S382 L386 Q387 V388 W410	N61-W384 HydrophobicContact CB-CH2 3.67Å; N61-W384 HydrophobicContact CB-CZ3 3.77Å; N61-W384 WeakPolarHBondContact OD1-CH2 3.39Å; N61-W384 VanDerWaalsContact OD1-CZ3 3.31Å; N61-W384 WeakPolarHBondContact OD1-CZ3 3.43Å; F92-W384 AromaticContact CD1-CD2 3.87Å; F92-W384 HydrophobicContact CD1-CD2 3.87Å; F92-W384 AromaticContact CD1-CE2 3.73Å; F92-W384 HydrophobicContact CD1-CE3 4.43Å; F92-W384 HydrophobicContact CD1-CG 4.11Å; F92-W384 HydrophobicContact CD1-CZ2 4.2Å; F92-W384 AromaticContact CD1-NE1 3.91Å; F92-W384 HydrophobicContact CE1-CB 3.99Å; F92-W384 AromaticContact CE1-CD1 3.91Å; F92-W384 AromaticContact CE1-CD2 3.67Å; F92-W384 HydrophobicContact CE1-CD2 3.67Å; F92-W384 HydrophobicContact CE1-CE3 4.2Å; F92-W384 AromaticContact CE1-CG 3.59Å; F92-W384 HydrophobicContact CE1-CG 3.59Å; F92-W384 HydrophobicContact CZ-CB 4.29Å; F92-W384 HydrophobicContact CZ-CG 4.2Å; Y135-W384 HydrophobicContact CE1-CZ2 4.1Å; L136-W384 HydrophobicContact CD2-CH2 4.47Å; L136-W384 HydrophobicContact CD2-CZ2 4.07Å; S382-W384 VanDerWaalsContact C-N 3.31Å; S382-W384 VanDerWaalsContact CB-CE2 3.47Å; S382-W384 PolarHBondContact O-N 3.33Å; S382-W384 VanDerWaalsContact OG-CD1 3.31Å; S382-W384 WeakPolarHBondContact OG-CZ2 3.41Å; S382-W384 PolarHBondContact OG-NE1 2.91Å; W384-L386 VanDerWaalsContact C-N 3.35Å; W384-L386 PolarHBondContact O-N 2.93Å; W384-Q387 PolarHBondContact O-N 3.21Å; W384-V388 VanDerWaalsContact O-CB 3.26Å; W384-V388 WeakPolarHBondContact O-CB 3.4Å; W384-V388 WeakPolarHBondContact O-CG2 3.45Å; W384-V388 PolarHBondContact O-N 2.86Å; W384-W410 HydrophobicContact CB-CD2 3.54Å; W384-W410 HydrophobicContact CB-CE3 3.63Å; W384-W410 HydrophobicContact CB-CG 4.08Å; W384-W410 HydrophobicContact CB-CH2 4.12Å; W384-W410 HydrophobicContact CB-CZ2 4.05Å; W384-W410 HydrophobicContact CB-CZ3 3.92Å
385	T	95	Very high	94.6	Very high	34 Å²	34	15.2 Å²	15.2	21%	0.209	7%	0.072	C	C	.	.	H	α-helix	trans	-64.3	-42.3	176.9	-62.4	0	0	0	0	111	Y135 F333 P381 S382 Q387 V388 E389	Y135-T385 VanDerWaalsContact OH-CB 3.28Å; Y135-T385 WeakPolarHBondContact OH-CB 3.37Å; Y135-T385 PolarHBondContact OH-OG1 3.31Å; F333-T385 HydrophobicContact CZ-CG2 4.1Å; P381-T385 HydrophobicContact CB-CG2 3.96Å; S382-T385 PolarHBondContact O-N 3.45Å; S382-T385 PolarHBondContact OG-N 3.38Å; S382-T385 PolarHBondContact OG-OG1 3.15Å; S382-T385 VanDerWaalsContact OG-OG1 3.08Å; T385-Q387 PolarHBondContact O-N 3.01Å; T385-V388 PolarHBondContact O-N 2.99Å; T385-E389 WeakPolarHBondContact O-CB 3.46Å; T385-E389 WeakPolarHBondContact O-CG 3.46Å; T385-E389 PolarHBondContact O-N 2.68Å
386	L	94.9	Very high	94.5	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.6	-47.9	175.3	-74.4	165.5	0	0	0	112.1	F333 L353 L356 F360 P381 S382 I383 W384 Q390	F333-L386 HydrophobicContact CB-CD2 4.23Å; F333-L386 HydrophobicContact CD2-CD2 3.39Å; F333-L386 HydrophobicContact CE2-CD2 3.89Å; F333-L386 HydrophobicContact CG-CD2 3.99Å; L353-L386 HydrophobicContact CD2-CD2 4.44Å; L356-L386 HydrophobicContact CB-CD1 4.44Å; L356-L386 HydrophobicContact CB-CD2 4.15Å; L356-L386 HydrophobicContact CD1-CD2 4.19Å; F360-L386 HydrophobicContact CD2-CD1 4.48Å; F360-L386 HydrophobicContact CE2-CD1 3.44Å; F360-L386 VanDerWaalsContact CE2-CD1 3.44Å; F360-L386 HydrophobicContact CZ-CD1 4.01Å; P381-L386 HydrophobicContact CB-CD2 4.5Å; P381-L386 HydrophobicContact CB-CG 4.2Å; P381-L386 HydrophobicContact CG-CD1 4.25Å; P381-L386 HydrophobicContact CG-CD2 3.71Å; P381-L386 HydrophobicContact CG-CG 3.79Å; S382-L386 PolarHBondContact O-N 3.46Å; S382-L386 VanDerWaalsContact O-N 3.07Å; I383-L386 PolarHBondContact O-N 2.87Å; W384-L386 VanDerWaalsContact C-N 3.35Å; W384-L386 PolarHBondContact O-N 2.93Å; L386-Q390 WeakPolarHBondContact O-CB 3.35Å; L386-Q390 PolarHBondContact O-N 3.27Å
387	Q	95.5	Very high	94.4	Very high	21 Å²	21	25 Å²	25	10%	0.098	12%	0.117	C	C	.	.	H	α-helix	trans	-71.1	-39.4	-179.7	-70.8	-174.2	-9.9	0	0	112.3	I383 W384 T385 E389 Q390 G391 I406 W410	I383-Q387 WeakPolarHBondContact O-CG 3.38Å; I383-Q387 PolarHBondContact O-N 3.01Å; I383-Q387 VanDerWaalsContact O-N 3.1Å; W384-Q387 PolarHBondContact O-N 3.21Å; T385-Q387 PolarHBondContact O-N 3.01Å; Q387-E389 VanDerWaalsContact C-N 3.34Å; Q387-E389 PolarHBondContact O-N 3.3Å; Q387-Q390 CarbonylContact O-C 3.58Å; Q387-Q390 VanDerWaalsContact O-CB 3.3Å; Q387-Q390 WeakPolarHBondContact O-CB 3.18Å; Q387-Q390 PolarHBondContact O-N 3.24Å; Q387-G391 PolarHBondContact O-N 3.3Å; Q387-I406 HydrophobicContact CB-CG2 3.9Å; Q387-I406 VanDerWaalsContact O-CG2 3.27Å; Q387-I406 WeakPolarHBondContact O-CG2 3.42Å; Q387-W410 VanDerWaalsContact OE1-CE2 3.25Å; Q387-W410 VanDerWaalsContact OE1-CZ2 3.28Å
388	V	95.7	Very high	94.4	Very high	6 Å²	6	26.7 Å²	26.7	4%	0.036	14%	0.135	C	C	.	.	H	α-helix	trans	-62.2	-42	175.7	168.4	0	0	0	0	110.9	W384 T385 G391 R392 F407 W410 K412	W384-V388 VanDerWaalsContact O-CB 3.26Å; W384-V388 WeakPolarHBondContact O-CB 3.4Å; W384-V388 WeakPolarHBondContact O-CG2 3.45Å; W384-V388 PolarHBondContact O-N 2.86Å; T385-V388 PolarHBondContact O-N 2.99Å; V388-G391 PolarHBondContact O-N 3.16Å; V388-R392 WeakPolarHBondContact O-CG 3.44Å; V388-R392 PolarHBondContact O-N 3.4Å; V388-F407 HydrophobicContact CG1-CE1 4.22Å; V388-W410 HydrophobicContact CG2-CB 4.21Å; V388-W410 HydrophobicContact CG2-CG 4.37Å; V388-K412 HydrophobicContact CG1-CG 4.4Å; V388-K412 HydrophobicContact CG2-CD 4.42Å; V388-K412 HydrophobicContact CG2-CG 3.73Å
389	E	95.7	Very high	94.5	Very high	42 Å²	42	29.3 Å²	29.3	20%	0.196	15%	0.153	C	C	.	.	H	α-helix	trans	-66.3	-36.6	173.5	-72.1	-56.3	148.1	0	0	112.8	F333 L337 T385 Q387 G391 R392 L393	F333-E389 HydrophobicContact CE2-CB 4.01Å; F333-E389 HydrophobicContact CE2-CG 3.88Å; F333-E389 HydrophobicContact CZ-CB 4.49Å; F333-E389 HydrophobicContact CZ-CG 3.86Å; L337-E389 HydrophobicContact CD2-CB 4.02Å; L337-E389 HydrophobicContact CD2-CG 4.03Å; T385-E389 WeakPolarHBondContact O-CB 3.46Å; T385-E389 WeakPolarHBondContact O-CG 3.46Å; T385-E389 PolarHBondContact O-N 2.68Å; Q387-E389 VanDerWaalsContact C-N 3.34Å; Q387-E389 PolarHBondContact O-N 3.3Å; E389-G391 VanDerWaalsContact C-N 3.32Å; E389-G391 PolarHBondContact O-N 3.3Å; E389-R392 PolarHBondContact O-N 3.21Å; E389-R392 IonicContact OE1-CZ 2.64Å; E389-R392 IonicContact OE1-NH1 2.75Å; E389-R392 PolarHBondContact OE1-NH1 3.01Å; E389-L393 WeakPolarHBondContact O-CB 3.41Å; E389-L393 PolarHBondContact O-N 3.19Å
390	Q	96.2	Very high	94.7	Very high	23 Å²	23	31.5 Å²	31.5	11%	0.107	16%	0.161	C	C	.	.	H	α-helix	trans	-58.8	-44.7	170.1	-172.4	-167.4	11.9	0	0	111	L350 L353 L386 Q387 L393 L394 I406	L350-Q390 HydrophobicContact CD1-CG 3.8Å; L353-Q390 HydrophobicContact CB-CB 4.16Å; L353-Q390 HydrophobicContact CB-CG 4.32Å; L353-Q390 HydrophobicContact CD1-CB 4.45Å; L386-Q390 WeakPolarHBondContact O-CB 3.35Å; L386-Q390 PolarHBondContact O-N 3.27Å; Q387-Q390 CarbonylContact O-C 3.58Å; Q387-Q390 VanDerWaalsContact O-CB 3.3Å; Q387-Q390 WeakPolarHBondContact O-CB 3.18Å; Q387-Q390 PolarHBondContact O-N 3.24Å; Q390-L393 PolarHBondContact O-N 3.28Å; Q390-L394 HydrophobicContact CG-CD1 4.46Å; Q390-L394 WeakPolarHBondContact O-CG 3.14Å; Q390-L394 PolarHBondContact O-N 3.11Å; Q390-I406 HydrophobicContact CG-CD1 4.42Å
391	G	96.7	Very high	94.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-45.4	174.9	0	0	0	0	0	112.5	Q387 V388 E389 L393 L394 M395 A403	Q387-G391 PolarHBondContact O-N 3.3Å; V388-G391 PolarHBondContact O-N 3.16Å; E389-G391 VanDerWaalsContact C-N 3.32Å; E389-G391 PolarHBondContact O-N 3.3Å; G391-L393 VanDerWaalsContact C-N 3.29Å; G391-L393 PolarHBondContact O-N 2.85Å; G391-L394 WeakPolarHBondContact O-CB 3.46Å; G391-L394 PolarHBondContact O-N 3.3Å; G391-L394 VanDerWaalsContact O-N 3.16Å; G391-M395 WeakPolarHBondContact O-CG 3.13Å; G391-M395 PolarHBondContact O-N 3.06Å; G391-A403 WeakPolarHBondContact O-CB 3.41Å
392	R	96.1	Very high	94.8	Very high	76 Å²	76	41.5 Å²	41.5	29%	0.287	21%	0.213	S	C	.	.	H	α-helix	trans	-61.3	-39.2	176.9	-73.2	171.2	178.3	169	-2.9	111.4	V388 E389 M395 K396 F407 E415	V388-R392 WeakPolarHBondContact O-CG 3.44Å; V388-R392 PolarHBondContact O-N 3.4Å; E389-R392 PolarHBondContact O-N 3.21Å; E389-R392 IonicContact OE1-CZ 2.64Å; E389-R392 IonicContact OE1-NH1 2.75Å; E389-R392 PolarHBondContact OE1-NH1 3.01Å; R392-M395 WeakPolarHBondContact O-CB 3.44Å; R392-M395 PolarHBondContact O-N 3.43Å; R392-K396 WeakPolarHBondContact O-CG 3.27Å; R392-K396 PolarHBondContact O-N 3.17Å; R392-K396 VanDerWaalsContact O-N 3.1Å; R392-F407 HydrophobicContact CG-CE1 4.29Å; R392-F407 HydrophobicContact CG-CZ 4.18Å; R392-E415 IonicContact CZ-OE1 3.75Å; R392-E415 IonicContact NE-OE1 3.08Å; R392-E415 PolarHBondContact NE-OE1 3.32Å; R392-E415 IonicContact NH2-OE1 3.17Å; R392-E415 PolarHBondContact NH2-OE1 2.97Å
393	L	94.5	Very high	94.9	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-66.2	-42.9	174	-177.8	52.1	0	0	0	112.1	H340 T346 A349 L350 L353 E389 Q390 G391 M395 K396 I397	H340-L393 HydrophobicContact CB-CD1 3.61Å; H340-L393 HydrophobicContact CB-CD2 4.32Å; T346-L393 HydrophobicContact CG2-CD1 4.03Å; A349-L393 HydrophobicContact CB-CD2 4.13Å; L350-L393 HydrophobicContact CB-CD2 3.82Å; L350-L393 HydrophobicContact CB-CG 4.49Å; L350-L393 HydrophobicContact CD1-CD2 4.14Å; L350-L393 HydrophobicContact CD1-CG 4.28Å; L353-L393 HydrophobicContact CD1-CD2 4.09Å; E389-L393 WeakPolarHBondContact O-CB 3.41Å; E389-L393 PolarHBondContact O-N 3.19Å; Q390-L393 PolarHBondContact O-N 3.28Å; G391-L393 VanDerWaalsContact C-N 3.29Å; G391-L393 PolarHBondContact O-N 2.85Å; L393-M395 VanDerWaalsContact C-N 3.31Å; L393-M395 PolarHBondContact O-N 3.18Å; L393-K396 WeakPolarHBondContact O-CB 3.4Å; L393-K396 PolarHBondContact O-N 3.18Å; L393-K396 VanDerWaalsContact O-N 3.15Å; L393-I397 HydrophobicContact CD1-CD1 4.27Å; L393-I397 HydrophobicContact CD1-CG1 4.48Å; L393-I397 HydrophobicContact CG-CD1 4.14Å; L393-I397 WeakPolarHBondContact O-CG1 3.03Å; L393-I397 PolarHBondContact O-N 3.23Å; L393-I397 VanDerWaalsContact O-N 3.08Å
394	L	96.5	Very high	95.2	Very high	18 Å²	18	40.5 Å²	40.5	9%	0.094	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-40.6	174	-74.4	165.4	0	0	0	112	L350 Q390 G391 I397 G398 C399 A403 I406	L350-L394 HydrophobicContact CD1-CD2 4Å; L350-L394 HydrophobicContact CD1-CG 3.89Å; L350-L394 HydrophobicContact CD2-CD2 3.81Å; Q390-L394 HydrophobicContact CG-CD1 4.46Å; Q390-L394 WeakPolarHBondContact O-CG 3.14Å; Q390-L394 PolarHBondContact O-N 3.11Å; G391-L394 WeakPolarHBondContact O-CB 3.46Å; G391-L394 PolarHBondContact O-N 3.3Å; G391-L394 VanDerWaalsContact O-N 3.16Å; L394-I397 PolarHBondContact O-N 3.38Å; L394-G398 PolarHBondContact O-N 3.38Å; L394-G398 VanDerWaalsContact O-N 3.13Å; L394-C399 HydrophobicContact CB-CB 4.17Å; L394-C399 HydrophobicContact CD2-CB 3.89Å; L394-C399 WeakPolarHBondContact O-CA 3.27Å; L394-C399 PolarHBondContact O-N 3.26Å; L394-A403 HydrophobicContact CB-CB 3.88Å; L394-I406 HydrophobicContact CD1-CD1 3.72Å
395	M	95	Very high	95.3	Very high	15 Å²	15	44.6 Å²	44.6	7%	0.074	23%	0.23	C	C	.	.	H	α-helix	trans	-59.5	-45.3	173.1	-70.7	178.8	71.9	0	0	111.9	G391 R392 L393 I397 G398 Y400 A403 F407 E415 E418	G391-M395 WeakPolarHBondContact O-CG 3.13Å; G391-M395 PolarHBondContact O-N 3.06Å; R392-M395 WeakPolarHBondContact O-CB 3.44Å; R392-M395 PolarHBondContact O-N 3.43Å; L393-M395 VanDerWaalsContact C-N 3.31Å; L393-M395 PolarHBondContact O-N 3.18Å; M395-I397 VanDerWaalsContact C-N 3.26Å; M395-I397 PolarHBondContact O-N 3.35Å; M395-G398 WeakPolarHBondContact O-CA 3.42Å; M395-G398 PolarHBondContact O-N 3.39Å; M395-Y400 HydrophobicContact CB-CD1 4.45Å; M395-Y400 HydrophobicContact CB-CE1 4.31Å; M395-Y400 HydrophobicContact CE-CE1 4.35Å; M395-Y400 HydrophobicContact CG-CD1 4.24Å; M395-A403 HydrophobicContact CG-CB 3.65Å; M395-F407 HydrophobicContact CG-CE2 3.72Å; M395-F407 HydrophobicContact CG-CZ 4.14Å; M395-F407 HydrophobicContact SD-CD2 4.37Å; M395-F407 HydrophobicContact SD-CE2 3.26Å; M395-F407 WeakPolarHBondContact SD-CE2 3.4Å; M395-F407 HydrophobicContact SD-CZ 3.54Å; M395-F407 VanDerWaalsContact SD-CZ 3.54Å; M395-E415 HydrophobicContact SD-CB 4.44Å; M395-E418 HydrophobicContact CE-CB 3.88Å; M395-E418 HydrophobicContact CE-CG 3.51Å; M395-E418 WeakPolarHBondContact CE-OE1 3.47Å
396	K	92	Very high	95.4	Very high	142 Å²	142	44.1 Å²	44.1	62%	0.617	23%	0.226	S	C	*	.	H	α-helix	trans	-61.1	-34	178.1	-73.1	-176.6	179.4	-169.2	0	113	H340 R392 L393 G398	H340-K396 PolarHBondContact NE2-NZ 3.24Å; R392-K396 WeakPolarHBondContact O-CG 3.27Å; R392-K396 PolarHBondContact O-N 3.17Å; R392-K396 VanDerWaalsContact O-N 3.1Å; L393-K396 WeakPolarHBondContact O-CB 3.4Å; L393-K396 PolarHBondContact O-N 3.18Å; L393-K396 VanDerWaalsContact O-N 3.15Å; K396-G398 VanDerWaalsContact C-N 3.26Å
397	I	92.4	Very high	95.5	Very high	81 Å²	81	44.1 Å²	44.1	42%	0.415	23%	0.226	S	C	.	.	H	α-helix	trans	-76.2	-16	175.3	-61.3	164.2	0	0	0	111.5	T346 L350 L393 L394 M395	T346-I397 HydrophobicContact CG2-CD1 3.68Å; T346-I397 HydrophobicContact CG2-CG1 3.79Å; L350-I397 HydrophobicContact CD2-CD1 4.03Å; L393-I397 HydrophobicContact CD1-CD1 4.27Å; L393-I397 HydrophobicContact CD1-CG1 4.48Å; L393-I397 HydrophobicContact CG-CD1 4.14Å; L393-I397 WeakPolarHBondContact O-CG1 3.03Å; L393-I397 PolarHBondContact O-N 3.23Å; L393-I397 VanDerWaalsContact O-N 3.08Å; L394-I397 PolarHBondContact O-N 3.38Å; M395-I397 VanDerWaalsContact C-N 3.26Å; M395-I397 PolarHBondContact O-N 3.35Å
398	G	92.7	Very high	95.4	Very high	39 Å²	39	45.8 Å²	45.8	40%	0.402	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.6	7.2	-177.5	0	0	0	0	0	114.5	L394 M395 K396 Y400	L394-G398 PolarHBondContact O-N 3.38Å; L394-G398 VanDerWaalsContact O-N 3.13Å; M395-G398 WeakPolarHBondContact O-CA 3.42Å; M395-G398 PolarHBondContact O-N 3.39Å; K396-G398 VanDerWaalsContact C-N 3.26Å; G398-Y400 VanDerWaalsContact C-N 3.26Å; G398-Y400 VanDerWaalsContact O-CD2 3.22Å; G398-Y400 WeakPolarHBondContact O-CD2 3.36Å; G398-Y400 PolarHBondContact O-N 3.27Å
399	C	95.1	Very high	95.3	Very high	54 Å²	54	50.6 Å²	50.6	37%	0.365	26%	0.26	S	S	.	.			trans	-84.1	57.6	179.3	-68.9	0	0	0	0	112.3	L394 K401 S402 A403	L394-C399 HydrophobicContact CB-CB 4.17Å; L394-C399 HydrophobicContact CD2-CB 3.89Å; L394-C399 WeakPolarHBondContact O-CA 3.27Å; L394-C399 PolarHBondContact O-N 3.26Å; C399-K401 VanDerWaalsContact C-N 3.28Å; C399-K401 PolarHBondContact O-N 2.96Å; C399-S402 PolarHBondContact O-N 2.82Å; C399-A403 PolarHBondContact O-N 2.74Å; C399-A403 VanDerWaalsContact O-N 3.16Å
400	Y	96	Very high	95.2	Very high	55 Å²	55	50.2 Å²	50.2	22%	0.216	26%	0.257	C	S	.	.	H	α-helix	trans	-60.6	-28.8	-173.1	-62	-76.9	0	0	0	114.9	M395 G398 L404 H422	M395-Y400 HydrophobicContact CB-CD1 4.45Å; M395-Y400 HydrophobicContact CB-CE1 4.31Å; M395-Y400 HydrophobicContact CE-CE1 4.35Å; M395-Y400 HydrophobicContact CG-CD1 4.24Å; G398-Y400 VanDerWaalsContact C-N 3.26Å; G398-Y400 VanDerWaalsContact O-CD2 3.22Å; G398-Y400 WeakPolarHBondContact O-CD2 3.36Å; G398-Y400 PolarHBondContact O-N 3.27Å; Y400-L404 WeakPolarHBondContact O-CB 3.49Å; Y400-L404 PolarHBondContact O-N 3.18Å; Y400-H422 HydrophobicContact CD1-CB 3.79Å; Y400-H422 HydrophobicContact CD2-CB 4Å; Y400-H422 HydrophobicContact CE1-CB 3.64Å; Y400-H422 AromaticContact CE1-CD2 3.42Å; Y400-H422 VanDerWaalsContact CE1-CD2 3.42Å; Y400-H422 WeakPolarHBondContact CE1-CD2 3.19Å; Y400-H422 AromaticContact CE1-CG 3.49Å; Y400-H422 VanDerWaalsContact CE1-CG 3.49Å; Y400-H422 HydrophobicContact CE2-CB 3.86Å; Y400-H422 HydrophobicContact CG-CB 3.97Å; Y400-H422 AromaticContact CZ-CD2 3.77Å; Y400-H422 AromaticContact CZ-CG 3.45Å; Y400-H422 VanDerWaalsContact CZ-CG 3.45Å; Y400-H422 AromaticContact CZ-ND1 3.74Å; Y400-H422 PolarHBondContact OH-CE1 3.5Å; Y400-H422 PolarHBondContact OH-ND1 3.43Å
401	K	95.8	Very high	95	Very high	150 Å²	150	50.6 Å²	50.6	65%	0.652	26%	0.26	S	S	*	.	H	α-helix	trans	-69.2	-50.4	-179.3	-172.6	-177.8	176.1	-171.6	0	111.9	C399 A403 L404 D405	C399-K401 VanDerWaalsContact C-N 3.28Å; C399-K401 PolarHBondContact O-N 2.96Å; K401-A403 VanDerWaalsContact C-N 3.29Å; K401-A403 PolarHBondContact O-N 3.42Å; K401-L404 WeakPolarHBondContact O-CB 3.3Å; K401-L404 PolarHBondContact O-N 3.31Å; K401-D405 PolarHBondContact O-N 2.97Å; K401-D405 VanDerWaalsContact O-N 3.1Å
402	S	96.1	Very high	94.8	Very high	64 Å²	64	53 Å²	53	45%	0.448	27%	0.271	S	S	.	.	H	α-helix	trans	-65.8	-36.3	177.5	-50.8	0	0	0	0	111.3	C399 D405 I406	C399-S402 PolarHBondContact O-N 2.82Å; S402-D405 PolarHBondContact O-N 2.96Å; S402-I406 WeakPolarHBondContact O-CG1 3.33Å; S402-I406 PolarHBondContact O-N 3.16Å
403	A	97.1	Very high	94.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-46.1	174	0	0	0	0	0	111.6	G391 L394 M395 C399 K401 D405 I406 F407	G391-A403 WeakPolarHBondContact O-CB 3.41Å; L394-A403 HydrophobicContact CB-CB 3.88Å; M395-A403 HydrophobicContact CG-CB 3.65Å; C399-A403 PolarHBondContact O-N 2.74Å; C399-A403 VanDerWaalsContact O-N 3.16Å; K401-A403 VanDerWaalsContact C-N 3.29Å; K401-A403 PolarHBondContact O-N 3.42Å; A403-D405 VanDerWaalsContact C-N 3.33Å; A403-D405 PolarHBondContact O-N 2.99Å; A403-I406 WeakPolarHBondContact O-CB 3.4Å; A403-I406 PolarHBondContact O-N 3.17Å; A403-I406 VanDerWaalsContact O-N 3.1Å; A403-F407 HydrophobicContact CB-CD2 4.3Å; A403-F407 HydrophobicContact CB-CE2 3.71Å; A403-F407 HydrophobicContact CB-CZ 4.45Å; A403-F407 WeakPolarHBondContact O-CD2 3.19Å; A403-F407 WeakPolarHBondContact O-CG 3.47Å; A403-F407 PolarHBondContact O-N 3.45Å
404	L	96.7	Very high	94.3	Very high	12 Å²	12	51.9 Å²	51.9	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-57.3	-43.8	177	177.1	65.7	0	0	0	112.1	Y400 K401 I406 F407 L408 I416 C419 Y420 L423	Y400-L404 WeakPolarHBondContact O-CB 3.49Å; Y400-L404 PolarHBondContact O-N 3.18Å; K401-L404 WeakPolarHBondContact O-CB 3.3Å; K401-L404 PolarHBondContact O-N 3.31Å; L404-I406 PolarHBondContact O-N 2.87Å; L404-F407 PolarHBondContact O-N 3.47Å; L404-L408 HydrophobicContact CD1-CD1 4.01Å; L404-L408 HydrophobicContact CD1-CG 3.96Å; L404-L408 HydrophobicContact CD2-CD1 4.45Å; L404-L408 HydrophobicContact CG-CD1 3.82Å; L404-L408 HydrophobicContact CG-CG 4.23Å; L404-L408 WeakPolarHBondContact O-CB 3.32Å; L404-L408 VanDerWaalsContact O-CG 3.29Å; L404-L408 WeakPolarHBondContact O-CG 3.49Å; L404-L408 PolarHBondContact O-N 3.21Å; L404-I416 HydrophobicContact CD1-CB 4.36Å; L404-I416 HydrophobicContact CD1-CG1 4.34Å; L404-I416 HydrophobicContact CD1-CG2 3.96Å; L404-C419 HydrophobicContact CB-CB 4.04Å; L404-C419 HydrophobicContact CD1-CB 4Å; L404-Y420 HydrophobicContact CD1-CD2 4.22Å; L404-Y420 HydrophobicContact CD1-CE2 3.86Å; L404-Y420 HydrophobicContact CD2-CD1 4.22Å; L404-Y420 HydrophobicContact CD2-CE1 3.66Å; L404-Y420 HydrophobicContact CD2-CE2 4.44Å; L404-L423 HydrophobicContact CD2-CD1 4.03Å
405	D	96.3	Very high	94.2	Very high	96 Å²	96	52.2 Å²	52.2	51%	0.513	28%	0.275	S	S	.	.	H	α-helix	trans	-59.5	-37.6	178	-65.6	-26.7	0	0	0	111.4	K401 S402 A403 L409	K401-D405 PolarHBondContact O-N 2.97Å; K401-D405 VanDerWaalsContact O-N 3.1Å; S402-D405 PolarHBondContact O-N 2.96Å; A403-D405 VanDerWaalsContact C-N 3.33Å; A403-D405 PolarHBondContact O-N 2.99Å; D405-L409 PolarHBondContact O-N 3.37Å
406	I	96.2	Very high	94.2	Very high	25 Å²	25	51.6 Å²	51.6	13%	0.128	27%	0.272	C	S	.	.	H	α-helix	trans	-71.3	-42.4	175.6	-62.3	167.3	0	0	0	111.6	Q387 Q390 L394 S402 A403 L404 L409 W410	Q387-I406 HydrophobicContact CB-CG2 3.9Å; Q387-I406 VanDerWaalsContact O-CG2 3.27Å; Q387-I406 WeakPolarHBondContact O-CG2 3.42Å; Q390-I406 HydrophobicContact CG-CD1 4.42Å; L394-I406 HydrophobicContact CD1-CD1 3.72Å; S402-I406 WeakPolarHBondContact O-CG1 3.33Å; S402-I406 PolarHBondContact O-N 3.16Å; A403-I406 WeakPolarHBondContact O-CB 3.4Å; A403-I406 PolarHBondContact O-N 3.17Å; A403-I406 VanDerWaalsContact O-N 3.1Å; L404-I406 PolarHBondContact O-N 2.87Å; I406-L409 WeakPolarHBondContact O-CB 3.49Å; I406-L409 PolarHBondContact O-N 3.38Å; I406-W410 PolarHBondContact O-N 3.06Å
407	F	96.5	Very high	94.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-70.3	-34.3	-179.5	-59.8	-50.3	0	0	0	112.9	V388 R392 M395 A403 L404 L409 W410 D411 K412 E415 I416	V388-F407 HydrophobicContact CG1-CE1 4.22Å; R392-F407 HydrophobicContact CG-CE1 4.29Å; R392-F407 HydrophobicContact CG-CZ 4.18Å; M395-F407 HydrophobicContact CG-CE2 3.72Å; M395-F407 HydrophobicContact CG-CZ 4.14Å; M395-F407 HydrophobicContact SD-CD2 4.37Å; M395-F407 HydrophobicContact SD-CE2 3.26Å; M395-F407 WeakPolarHBondContact SD-CE2 3.4Å; M395-F407 HydrophobicContact SD-CZ 3.54Å; M395-F407 VanDerWaalsContact SD-CZ 3.54Å; A403-F407 HydrophobicContact CB-CD2 4.3Å; A403-F407 HydrophobicContact CB-CE2 3.71Å; A403-F407 HydrophobicContact CB-CZ 4.45Å; A403-F407 WeakPolarHBondContact O-CD2 3.19Å; A403-F407 WeakPolarHBondContact O-CG 3.47Å; A403-F407 PolarHBondContact O-N 3.45Å; L404-F407 PolarHBondContact O-N 3.47Å; F407-L409 VanDerWaalsContact C-N 3.29Å; F407-W410 CarbonylContact O-C 3.59Å; F407-W410 PolarHBondContact O-N 3.03Å; F407-D411 PolarHBondContact O-N 3.45Å; F407-K412 HydrophobicContact CB-CB 4.17Å; F407-K412 HydrophobicContact CD1-CB 4.11Å; F407-K412 HydrophobicContact CG-CB 4.49Å; F407-K412 PolarHBondContact O-N 3.1Å; F407-E415 HydrophobicContact CB-CB 4.47Å; F407-E415 HydrophobicContact CD1-CB 3.86Å; F407-E415 HydrophobicContact CD1-CG 4.37Å; F407-E415 HydrophobicContact CD2-CB 3.73Å; F407-E415 HydrophobicContact CE1-CB 3.91Å; F407-E415 HydrophobicContact CE1-CG 4.04Å; F407-E415 HydrophobicContact CE2-CB 3.8Å; F407-E415 HydrophobicContact CE2-CG 4.49Å; F407-E415 HydrophobicContact CG-CB 3.77Å; F407-E415 HydrophobicContact CZ-CB 3.85Å; F407-E415 HydrophobicContact CZ-CG 4.08Å; F407-I416 HydrophobicContact CB-CG1 3.68Å
408	L	94.2	Very high	94.3	Very high	56 Å²	56	45.9 Å²	45.9	29%	0.293	25%	0.246	S	C	.	.	H	α-helix	trans	-64.2	-34.5	171.5	-73.7	170.9	0	0	0	111.7	L404 W410 I416 V432	L404-L408 HydrophobicContact CD1-CD1 4.01Å; L404-L408 HydrophobicContact CD1-CG 3.96Å; L404-L408 HydrophobicContact CD2-CD1 4.45Å; L404-L408 HydrophobicContact CG-CD1 3.82Å; L404-L408 HydrophobicContact CG-CG 4.23Å; L404-L408 WeakPolarHBondContact O-CB 3.32Å; L404-L408 VanDerWaalsContact O-CG 3.29Å; L404-L408 WeakPolarHBondContact O-CG 3.49Å; L404-L408 PolarHBondContact O-N 3.21Å; L408-W410 PolarHBondContact O-N 3.27Å; L408-I416 HydrophobicContact CD2-CD1 3.89Å; L408-I416 HydrophobicContact CD2-CG1 4.15Å; L408-I416 HydrophobicContact CD2-CG2 4.2Å; L408-I416 HydrophobicContact CG-CD1 4.44Å; L408-I416 HydrophobicContact CG-CG1 4.36Å; L408-V432 HydrophobicContact CD2-CG1 4.1Å
409	L	93.5	Very high	94.4	Very high	106 Å²	106	44 Å²	44	56%	0.555	23%	0.227	S	C	*	.	H	α-helix	trans	-62.6	-33.6	175.5	-178.9	64.2	0	0	0	112.2	D405 I406 F407	D405-L409 PolarHBondContact O-N 3.37Å; I406-L409 WeakPolarHBondContact O-CB 3.49Å; I406-L409 PolarHBondContact O-N 3.38Å; F407-L409 VanDerWaalsContact C-N 3.29Å
410	W	93	Very high	94.4	Very high	34 Å²	34	42.5 Å²	42.5	13%	0.129	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	14.7	-174.6	-62	114.8	0	0	0	114.5	F92 L94 I383 W384 Q387 V388 I406 F407 L408 K412	F92-W410 HydrophobicContact CE1-CE3 4.1Å; F92-W410 WeakPolarHBondContact CE2-O 3.2Å; F92-W410 HydrophobicContact CZ-CB 4.24Å; F92-W410 AromaticContact CZ-CE3 3.95Å; F92-W410 HydrophobicContact CZ-CE3 3.95Å; L94-W410 HydrophobicContact CB-CE3 4.43Å; L94-W410 HydrophobicContact CD1-CE3 3.91Å; I383-W410 HydrophobicContact CG1-CZ2 4.43Å; I383-W410 HydrophobicContact CG2-CH2 3.99Å; I383-W410 HydrophobicContact CG2-CZ2 4.3Å; W384-W410 HydrophobicContact CB-CD2 3.54Å; W384-W410 HydrophobicContact CB-CE3 3.63Å; W384-W410 HydrophobicContact CB-CG 4.08Å; W384-W410 HydrophobicContact CB-CH2 4.12Å; W384-W410 HydrophobicContact CB-CZ2 4.05Å; W384-W410 HydrophobicContact CB-CZ3 3.92Å; Q387-W410 VanDerWaalsContact OE1-CE2 3.25Å; Q387-W410 VanDerWaalsContact OE1-CZ2 3.28Å; V388-W410 HydrophobicContact CG2-CB 4.21Å; V388-W410 HydrophobicContact CG2-CG 4.37Å; I406-W410 PolarHBondContact O-N 3.06Å; F407-W410 CarbonylContact O-C 3.59Å; F407-W410 PolarHBondContact O-N 3.03Å; L408-W410 PolarHBondContact O-N 3.27Å; W410-K412 VanDerWaalsContact C-N 3.26Å; W410-K412 HydrophobicContact CB-CG 4.26Å; W410-K412 PolarHBondContact O-N 2.66Å
411	D	91.5	Very high	94.1	Very high	31 Å²	31	44.2 Å²	44.2	17%	0.166	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	41.5	-179.8	-71.1	-27.6	0	0	0	113.8	F407 W413 R436	F407-D411 PolarHBondContact O-N 3.45Å; D411-W413 HydrophobicContact CB-CZ2 4.03Å; D411-W413 PolarHBondContact O-N 3.05Å; D411-W413 VanDerWaalsContact O-N 3.16Å; D411-W413 PolarHBondContact O-NE1 3.2Å; D411-R436 IonicContact OD2-CZ 2.66Å; D411-R436 IonicContact OD2-NE 3.59Å; D411-R436 IonicContact OD2-NH2 2.67Å; D411-R436 PolarHBondContact OD2-NH2 3.36Å
412	K	93.1	Very high	94	Very high	52 Å²	52	41.3 Å²	41.3	23%	0.226	21%	0.214	C	C	.	.			trans	-85.8	81.7	178.2	-66.2	-56.2	-178.1	-172.3	0	111.8	V388 F407 W410 S414 E415 I416	V388-K412 HydrophobicContact CG1-CG 4.4Å; V388-K412 HydrophobicContact CG2-CD 4.42Å; V388-K412 HydrophobicContact CG2-CG 3.73Å; F407-K412 HydrophobicContact CB-CB 4.17Å; F407-K412 HydrophobicContact CD1-CB 4.11Å; F407-K412 HydrophobicContact CG-CB 4.49Å; F407-K412 PolarHBondContact O-N 3.1Å; W410-K412 VanDerWaalsContact C-N 3.26Å; W410-K412 HydrophobicContact CB-CG 4.26Å; W410-K412 PolarHBondContact O-N 2.66Å; K412-S414 PolarHBondContact O-N 3.09Å; K412-E415 HydrophobicContact CB-CB 4.49Å; K412-E415 PolarHBondContact O-N 3.13Å; K412-I416 WeakPolarHBondContact O-CD1 3.38Å; K412-I416 WeakPolarHBondContact O-CG1 3.48Å; K412-I416 PolarHBondContact O-N 3.37Å
413	W	91.4	Very high	93.9	Very high	5 Å²	5	41 Å²	41	2%	0.019	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-42.7	-168.1	-60.8	106.7	0	0	0	115	D411 E415 I416 I417 V432 I433 R436 L446 S449	D411-W413 HydrophobicContact CB-CZ2 4.03Å; D411-W413 PolarHBondContact O-N 3.05Å; D411-W413 VanDerWaalsContact O-N 3.16Å; D411-W413 PolarHBondContact O-NE1 3.2Å; W413-E415 VanDerWaalsContact C-N 3.32Å; W413-E415 PolarHBondContact O-N 3.45Å; W413-I416 HydrophobicContact CD2-CD1 4.24Å; W413-I416 HydrophobicContact CE3-CD1 3.78Å; W413-I416 HydrophobicContact CZ3-CD1 3.97Å; W413-I416 PolarHBondContact O-N 2.75Å; W413-I417 WeakPolarHBondContact O-CB 3.49Å; W413-I417 WeakPolarHBondContact O-CD1 3.5Å; W413-I417 WeakPolarHBondContact O-CG1 3.45Å; W413-I417 PolarHBondContact O-N 3.26Å; W413-V432 HydrophobicContact CH2-CG1 4.27Å; W413-V432 HydrophobicContact CZ3-CG1 3.94Å; W413-I433 HydrophobicContact CE3-CG1 3.77Å; W413-I433 HydrophobicContact CZ3-CG1 3.91Å; W413-R436 HydrophobicContact CH2-CB 4.11Å; W413-R436 HydrophobicContact CH2-CG 4.07Å; W413-R436 HydrophobicContact CZ2-CB 4.37Å; W413-R436 HydrophobicContact CZ2-CG 3.87Å; W413-L446 HydrophobicContact CD2-CD2 3.65Å; W413-L446 HydrophobicContact CE3-CD2 4.21Å; W413-L446 HydrophobicContact CG-CD2 4.14Å; W413-L446 HydrophobicContact CH2-CD2 4.12Å; W413-L446 HydrophobicContact CZ2-CD2 3.56Å; W413-L446 HydrophobicContact CZ3-CD2 4.41Å; W413-S449 VanDerWaalsContact CB-OG 3.26Å; W413-S449 WeakPolarHBondContact CB-OG 3.47Å
414	S	90	Very high	93.6	Very high	54 Å²	54	48.2 Å²	48.2	38%	0.378	25%	0.246	S	C	.	.	H	α-helix	trans	-58	-46.9	179.2	-56.5	0	0	0	0	111.1	K412 I417 E418 R473	K412-S414 PolarHBondContact O-N 3.09Å; S414-I417 PolarHBondContact O-N 3.17Å; S414-E418 PolarHBondContact O-N 2.87Å; S414-E418 VanDerWaalsContact O-N 3.12Å; S414-R473 PolarHBondContact OG-NH2 3.49Å
415	E	94.4	Very high	93.4	Very high	26 Å²	26	52.4 Å²	52.4	12%	0.121	26%	0.263	C	S	.	.	H	α-helix	trans	-72.9	-34.5	177.8	-66.4	88.1	159.4	0	0	113.1	R392 M395 F407 K412 W413 I417 E418 C419	R392-E415 IonicContact CZ-OE1 3.75Å; R392-E415 IonicContact NE-OE1 3.08Å; R392-E415 PolarHBondContact NE-OE1 3.32Å; R392-E415 IonicContact NH2-OE1 3.17Å; R392-E415 PolarHBondContact NH2-OE1 2.97Å; M395-E415 HydrophobicContact SD-CB 4.44Å; F407-E415 HydrophobicContact CB-CB 4.47Å; F407-E415 HydrophobicContact CD1-CB 3.86Å; F407-E415 HydrophobicContact CD1-CG 4.37Å; F407-E415 HydrophobicContact CD2-CB 3.73Å; F407-E415 HydrophobicContact CE1-CB 3.91Å; F407-E415 HydrophobicContact CE1-CG 4.04Å; F407-E415 HydrophobicContact CE2-CB 3.8Å; F407-E415 HydrophobicContact CE2-CG 4.49Å; F407-E415 HydrophobicContact CG-CB 3.77Å; F407-E415 HydrophobicContact CZ-CB 3.85Å; F407-E415 HydrophobicContact CZ-CG 4.08Å; K412-E415 HydrophobicContact CB-CB 4.49Å; K412-E415 PolarHBondContact O-N 3.13Å; W413-E415 VanDerWaalsContact C-N 3.32Å; W413-E415 PolarHBondContact O-N 3.45Å; E415-I417 VanDerWaalsContact C-N 3.33Å; E415-E418 PolarHBondContact O-N 3.46Å; E415-C419 WeakPolarHBondContact O-CB 3.32Å; E415-C419 PolarHBondContact O-N 3Å; E415-C419 PolarHBondContact O-SG 2.58Å
416	I	95.2	Very high	93.1	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-58.8	-47.1	172.3	-72	161.8	0	0	0	110.1	L404 F407 L408 K412 W413 C419 Y420	L404-I416 HydrophobicContact CD1-CB 4.36Å; L404-I416 HydrophobicContact CD1-CG1 4.34Å; L404-I416 HydrophobicContact CD1-CG2 3.96Å; F407-I416 HydrophobicContact CB-CG1 3.68Å; L408-I416 HydrophobicContact CD2-CD1 3.89Å; L408-I416 HydrophobicContact CD2-CG1 4.15Å; L408-I416 HydrophobicContact CD2-CG2 4.2Å; L408-I416 HydrophobicContact CG-CD1 4.44Å; L408-I416 HydrophobicContact CG-CG1 4.36Å; K412-I416 WeakPolarHBondContact O-CD1 3.38Å; K412-I416 WeakPolarHBondContact O-CG1 3.48Å; K412-I416 PolarHBondContact O-N 3.37Å; W413-I416 HydrophobicContact CD2-CD1 4.24Å; W413-I416 HydrophobicContact CE3-CD1 3.78Å; W413-I416 HydrophobicContact CZ3-CD1 3.97Å; W413-I416 PolarHBondContact O-N 2.75Å; I416-C419 PolarHBondContact O-N 3.19Å; I416-Y420 HydrophobicContact CG2-CD2 3.62Å; I416-Y420 HydrophobicContact CG2-CE2 3.49Å; I416-Y420 VanDerWaalsContact CG2-CE2 3.49Å; I416-Y420 VanDerWaalsContact O-CD2 3.25Å; I416-Y420 WeakPolarHBondContact O-CD2 3.24Å; I416-Y420 PolarHBondContact O-N 3.33Å
417	I	92	Very high	92.9	Very high	12 Å²	12	60.1 Å²	60.1	6%	0.062	29%	0.291	C	S	.	.	H	α-helix	trans	-61.6	-49.1	179.2	-68.1	165.2	0	0	0	110	W413 S414 E415 C419 Y420 I421 I433 S449 D452 V453	W413-I417 WeakPolarHBondContact O-CB 3.49Å; W413-I417 WeakPolarHBondContact O-CD1 3.5Å; W413-I417 WeakPolarHBondContact O-CG1 3.45Å; W413-I417 PolarHBondContact O-N 3.26Å; S414-I417 PolarHBondContact O-N 3.17Å; E415-I417 VanDerWaalsContact C-N 3.33Å; I417-C419 VanDerWaalsContact C-N 3.32Å; I417-C419 PolarHBondContact O-N 3.07Å; I417-Y420 PolarHBondContact O-N 3.43Å; I417-Y420 VanDerWaalsContact O-N 3.15Å; I417-I421 HydrophobicContact CG2-CD1 3.67Å; I417-I421 HydrophobicContact CG2-CG1 4.27Å; I417-I421 VanDerWaalsContact O-CG1 3.3Å; I417-I421 WeakPolarHBondContact O-CG1 3.18Å; I417-I421 PolarHBondContact O-N 2.74Å; I417-I433 HydrophobicContact CD1-CD1 4.11Å; I417-I433 HydrophobicContact CG1-CD1 4.16Å; I417-S449 WeakPolarHBondContact CD1-O 3.27Å; I417-D452 HydrophobicContact CD1-CB 4.47Å; I417-V453 HydrophobicContact CB-CG2 4.21Å; I417-V453 HydrophobicContact CD1-CG2 3.6Å; I417-V453 HydrophobicContact CG1-CG2 3.46Å; I417-V453 VanDerWaalsContact CG1-CG2 3.46Å; I417-V453 HydrophobicContact CG2-CG2 3.72Å
418	E	93.2	Very high	92.7	Very high	92 Å²	92	65 Å²	65	43%	0.43	31%	0.312	S	S	.	.	H	α-helix	trans	-57.5	-45	177.8	-171.3	177.9	168.3	0	0	111.5	M395 S414 E415 Y420 I421 H422	M395-E418 HydrophobicContact CE-CB 3.88Å; M395-E418 HydrophobicContact CE-CG 3.51Å; M395-E418 WeakPolarHBondContact CE-OE1 3.47Å; S414-E418 PolarHBondContact O-N 2.87Å; S414-E418 VanDerWaalsContact O-N 3.12Å; E415-E418 PolarHBondContact O-N 3.46Å; E418-Y420 PolarHBondContact O-N 2.86Å; E418-I421 PolarHBondContact O-N 3.07Å; E418-H422 PolarHBondContact O-CD2 2.93Å; E418-H422 PolarHBondContact O-N 3.42Å
419	C	95	Very high	92.6	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.2	-45.2	174.8	-72.4	0	0	0	0	112.4	L404 E415 I416 I417 H422 L423	L404-C419 HydrophobicContact CB-CB 4.04Å; L404-C419 HydrophobicContact CD1-CB 4Å; E415-C419 WeakPolarHBondContact O-CB 3.32Å; E415-C419 PolarHBondContact O-N 3Å; E415-C419 PolarHBondContact O-SG 2.58Å; I416-C419 PolarHBondContact O-N 3.19Å; I417-C419 VanDerWaalsContact C-N 3.32Å; I417-C419 PolarHBondContact O-N 3.07Å; C419-H422 PolarHBondContact O-N 2.94Å; C419-L423 WeakPolarHBondContact O-CB 3.33Å; C419-L423 WeakPolarHBondContact O-CG 3.44Å; C419-L423 PolarHBondContact O-N 3.2Å
420	Y	94.9	Very high	92.5	Very high	22 Å²	22	59.7 Å²	59.7	9%	0.086	28%	0.283	C	S	.	.	H	α-helix	trans	-67.5	-34.3	177.6	-80.4	-56.6	0	0	0	113.4	L404 I416 I417 E418 L423 N424 K425 K428 A429 V432	L404-Y420 HydrophobicContact CD1-CD2 4.22Å; L404-Y420 HydrophobicContact CD1-CE2 3.86Å; L404-Y420 HydrophobicContact CD2-CD1 4.22Å; L404-Y420 HydrophobicContact CD2-CE1 3.66Å; L404-Y420 HydrophobicContact CD2-CE2 4.44Å; I416-Y420 HydrophobicContact CG2-CD2 3.62Å; I416-Y420 HydrophobicContact CG2-CE2 3.49Å; I416-Y420 VanDerWaalsContact CG2-CE2 3.49Å; I416-Y420 VanDerWaalsContact O-CD2 3.25Å; I416-Y420 WeakPolarHBondContact O-CD2 3.24Å; I416-Y420 PolarHBondContact O-N 3.33Å; I417-Y420 PolarHBondContact O-N 3.43Å; I417-Y420 VanDerWaalsContact O-N 3.15Å; E418-Y420 PolarHBondContact O-N 2.86Å; Y420-L423 CarbonylContact O-C 3.53Å; Y420-L423 PolarHBondContact O-N 3.04Å; Y420-N424 PolarHBondContact O-N 2.9Å; Y420-N424 VanDerWaalsContact O-N 3.15Å; Y420-K425 HydrophobicContact CD1-CB 4.07Å; Y420-K425 PolarHBondContact O-N 3.07Å; Y420-K428 HydrophobicContact CD1-CB 4.15Å; Y420-K428 HydrophobicContact CE1-CB 3.87Å; Y420-A429 HydrophobicContact CD2-CB 3.52Å; Y420-A429 HydrophobicContact CE2-CB 4.35Å; Y420-A429 HydrophobicContact CG-CB 3.88Å; Y420-V432 HydrophobicContact CE2-CG2 4.46Å
421	I	91	Very high	92.5	Very high	90 Å²	90	64.5 Å²	64.5	46%	0.462	31%	0.307	S	S	.	.	H	α-helix	trans	-62	-49.7	173.7	-70.7	169.2	0	0	0	109.5	I417 E418 L423 N424	I417-I421 HydrophobicContact CG2-CD1 3.67Å; I417-I421 HydrophobicContact CG2-CG1 4.27Å; I417-I421 VanDerWaalsContact O-CG1 3.3Å; I417-I421 WeakPolarHBondContact O-CG1 3.18Å; I417-I421 PolarHBondContact O-N 2.74Å; E418-I421 PolarHBondContact O-N 3.07Å; I421-L423 VanDerWaalsContact C-N 3.26Å; I421-L423 PolarHBondContact O-N 2.89Å; I421-N424 PolarHBondContact O-N 2.78Å
422	H	92.8	Very high	92.6	Very high	90 Å²	90	65 Å²	65	42%	0.417	31%	0.312	S	S	.	.	H	α-helix	trans	-64.7	-29.4	177.1	-77.8	-70.7	0	0	0	113.5	Y400 E418 C419 N424	Y400-H422 HydrophobicContact CD1-CB 3.79Å; Y400-H422 HydrophobicContact CD2-CB 4Å; Y400-H422 HydrophobicContact CE1-CB 3.64Å; Y400-H422 AromaticContact CE1-CD2 3.42Å; Y400-H422 VanDerWaalsContact CE1-CD2 3.42Å; Y400-H422 WeakPolarHBondContact CE1-CD2 3.19Å; Y400-H422 AromaticContact CE1-CG 3.49Å; Y400-H422 VanDerWaalsContact CE1-CG 3.49Å; Y400-H422 HydrophobicContact CE2-CB 3.86Å; Y400-H422 HydrophobicContact CG-CB 3.97Å; Y400-H422 AromaticContact CZ-CD2 3.77Å; Y400-H422 AromaticContact CZ-CG 3.45Å; Y400-H422 VanDerWaalsContact CZ-CG 3.45Å; Y400-H422 AromaticContact CZ-ND1 3.74Å; Y400-H422 PolarHBondContact OH-CE1 3.5Å; Y400-H422 PolarHBondContact OH-ND1 3.43Å; E418-H422 PolarHBondContact O-CD2 2.93Å; E418-H422 PolarHBondContact O-N 3.42Å; C419-H422 PolarHBondContact O-N 2.94Å; H422-N424 PolarHBondContact O-N 2.65Å
423	L	94	Very high	92.5	Very high	56 Å²	56	62.6 Å²	62.6	29%	0.293	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	2.5	173.5	-67.7	172.1	0	0	0	113.7	L404 C419 Y420 I421 K425	L404-L423 HydrophobicContact CD2-CD1 4.03Å; C419-L423 WeakPolarHBondContact O-CB 3.33Å; C419-L423 WeakPolarHBondContact O-CG 3.44Å; C419-L423 PolarHBondContact O-N 3.2Å; Y420-L423 CarbonylContact O-C 3.53Å; Y420-L423 PolarHBondContact O-N 3.04Å; I421-L423 VanDerWaalsContact C-N 3.26Å; I421-L423 PolarHBondContact O-N 2.89Å; L423-K425 HydrophobicContact CB-CD 4.49Å; L423-K425 WeakPolarHBondContact O-CG 3.38Å; L423-K425 PolarHBondContact O-N 2.94Å
424	N	91.4	Very high	92.6	Very high	153 Å²	153	68.1 Å²	68.1	82%	0.818	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	35	-175.6	-65.1	-49.3	0	0	0	113.8	Y420 I421 H422	Y420-N424 PolarHBondContact O-N 2.9Å; Y420-N424 VanDerWaalsContact O-N 3.15Å; I421-N424 PolarHBondContact O-N 2.78Å; H422-N424 PolarHBondContact O-N 2.65Å
425	K	92	Very high	92.7	Very high	99 Å²	99	69.3 Å²	69.3	43%	0.43	33%	0.33	S	S	.	.			trans	-124.4	54.7	-176.6	-72	172.8	-173.7	172.9	0	111.7	Y420 L423 E427 K428 A429	Y420-K425 HydrophobicContact CD1-CB 4.07Å; Y420-K425 PolarHBondContact O-N 3.07Å; L423-K425 HydrophobicContact CB-CD 4.49Å; L423-K425 WeakPolarHBondContact O-CG 3.38Å; L423-K425 PolarHBondContact O-N 2.94Å; K425-E427 VanDerWaalsContact C-N 3.31Å; K425-E427 PolarHBondContact O-N 2.8Å; K425-K428 HydrophobicContact CB-CB 4.33Å; K425-K428 HydrophobicContact CB-CD 4.38Å; K425-K428 HydrophobicContact CB-CG 4.23Å; K425-K428 HydrophobicContact CD-CD 4.12Å; K425-K428 PolarHBondContact O-N 3.32Å; K425-K428 VanDerWaalsContact O-N 3.16Å; K425-A429 PolarHBondContact O-N 2.85Å
426	R	90.6	Very high	92.5	Very high	119 Å²	119	72.1 Å²	72.1	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-59.2	-38.8	-178.2	-166.9	174.2	-176.8	166.2	2.5	113.2	K428 A429 E430 V453 N455	R426-K428 VanDerWaalsContact C-N 3.27Å; R426-K428 PolarHBondContact O-N 3.46Å; R426-A429 WeakPolarHBondContact O-CB 3.15Å; R426-A429 PolarHBondContact O-N 2.94Å; R426-A429 VanDerWaalsContact O-N 3.15Å; R426-E430 PolarHBondContact O-N 3.06Å; R426-V453 HydrophobicContact CG-CG1 4.01Å; R426-V453 PolarHBondContact NE-O 3.45Å; R426-V453 PolarHBondContact NH2-O 3.2Å; R426-N455 PolarHBondContact NH2-ND2 3.16Å
427	E	92.4	Very high	92.2	Very high	165 Å²	165	72.8 Å²	72.8	77%	0.771	34%	0.343	S	S	*	.	H	α-helix	trans	-60.7	-35.3	177.9	-63.8	174.7	-178.8	0	0	112.5	K425 E430 E431	K425-E427 VanDerWaalsContact C-N 3.31Å; K425-E427 PolarHBondContact O-N 2.8Å; E427-E430 PolarHBondContact O-N 3.32Å; E427-E431 WeakPolarHBondContact O-CB 3.15Å; E427-E431 PolarHBondContact O-N 3.11Å
428	K	92.1	Very high	92.2	Very high	101 Å²	101	79 Å²	79	44%	0.439	38%	0.377	S	S	.	.	H	α-helix	trans	-70.7	-34.6	177.5	-62.3	-159.8	-177.9	-156.1	0	112.3	Y420 K425 R426 E430 E431 V432	Y420-K428 HydrophobicContact CD1-CB 4.15Å; Y420-K428 HydrophobicContact CE1-CB 3.87Å; K425-K428 HydrophobicContact CB-CB 4.33Å; K425-K428 HydrophobicContact CB-CD 4.38Å; K425-K428 HydrophobicContact CB-CG 4.23Å; K425-K428 HydrophobicContact CD-CD 4.12Å; K425-K428 PolarHBondContact O-N 3.32Å; K425-K428 VanDerWaalsContact O-N 3.16Å; R426-K428 VanDerWaalsContact C-N 3.27Å; R426-K428 PolarHBondContact O-N 3.46Å; K428-E430 VanDerWaalsContact C-N 3.31Å; K428-E431 PolarHBondContact O-N 3.34Å; K428-V432 VanDerWaalsContact O-CG2 3.24Å; K428-V432 WeakPolarHBondContact O-CG2 3.26Å; K428-V432 PolarHBondContact O-N 3.09Å
429	A	90.9	Very high	91.9	Very high	2 Å²	2	78.3 Å²	78.3	2%	0.017	38%	0.382	C	S	.	.	H	α-helix	trans	-60.4	-46.5	174.2	0	0	0	0	0	110.3	Y420 K425 R426 V432 I433 V453	Y420-A429 HydrophobicContact CD2-CB 3.52Å; Y420-A429 HydrophobicContact CE2-CB 4.35Å; Y420-A429 HydrophobicContact CG-CB 3.88Å; K425-A429 PolarHBondContact O-N 2.85Å; R426-A429 WeakPolarHBondContact O-CB 3.15Å; R426-A429 PolarHBondContact O-N 2.94Å; R426-A429 VanDerWaalsContact O-N 3.15Å; A429-V432 PolarHBondContact O-N 3.2Å; A429-I433 WeakPolarHBondContact O-CD1 3.06Å; A429-I433 VanDerWaalsContact O-CG1 3.27Å; A429-I433 WeakPolarHBondContact O-CG1 3.47Å; A429-I433 PolarHBondContact O-N 3.47Å; A429-I433 VanDerWaalsContact O-N 3.08Å; A429-V453 HydrophobicContact CB-CG1 4.23Å; A429-V453 HydrophobicContact CB-CG2 4.09Å
430	E	92.8	Very high	91.3	Very high	50 Å²	50	81.3 Å²	81.3	23%	0.234	41%	0.413	C	S	.	.	H	α-helix	trans	-62.3	-44.8	176	177.6	170.9	-171	0	0	112.2	R426 E427 K428 V432 I433 R434 L450 V453	R426-E430 PolarHBondContact O-N 3.06Å; E427-E430 PolarHBondContact O-N 3.32Å; K428-E430 VanDerWaalsContact C-N 3.31Å; E430-V432 PolarHBondContact O-N 2.61Å; E430-I433 PolarHBondContact O-N 2.79Å; E430-R434 HydrophobicContact CG-CG 4.28Å; E430-R434 WeakPolarHBondContact O-CB 3.4Å; E430-R434 VanDerWaalsContact O-CG 3.31Å; E430-R434 WeakPolarHBondContact O-CG 3.47Å; E430-R434 PolarHBondContact O-N 3.21Å; E430-R434 IonicContact OE1-CZ 2.83Å; E430-R434 IonicContact OE1-NE 3.84Å; E430-R434 PolarHBondContact OE1-NE 2.9Å; E430-R434 IonicContact OE1-NH2 3.85Å; E430-R434 PolarHBondContact OE1-NH2 3.44Å; E430-L450 HydrophobicContact CG-CD1 3.92Å; E430-V453 HydrophobicContact CB-CG1 3.93Å
431	E	93	Very high	90.6	Very high	134 Å²	134	81.7 Å²	81.7	63%	0.626	42%	0.416	S	S	*	.	H	α-helix	trans	-58.6	-46.5	177.8	-174.5	-177.1	-176.2	0	0	111.9	E427 K428 R434 S435	E427-E431 WeakPolarHBondContact O-CB 3.15Å; E427-E431 PolarHBondContact O-N 3.11Å; K428-E431 PolarHBondContact O-N 3.34Å; E431-R434 PolarHBondContact O-N 3.35Å; E431-S435 VanDerWaalsContact O-CB 3.26Å; E431-S435 WeakPolarHBondContact O-CB 3.49Å; E431-S435 PolarHBondContact O-N 2.95Å
432	V	92.2	Very high	90.3	Very high	43 Å²	43	83.1 Å²	83.1	26%	0.261	42%	0.421	S	S	.	.	H	α-helix	trans	-64.9	-44.1	179.8	175.4	0	0	0	0	110.8	L408 W413 Y420 K428 A429 E430 S435 R436	L408-V432 HydrophobicContact CD2-CG1 4.1Å; W413-V432 HydrophobicContact CH2-CG1 4.27Å; W413-V432 HydrophobicContact CZ3-CG1 3.94Å; Y420-V432 HydrophobicContact CE2-CG2 4.46Å; K428-V432 VanDerWaalsContact O-CG2 3.24Å; K428-V432 WeakPolarHBondContact O-CG2 3.26Å; K428-V432 PolarHBondContact O-N 3.09Å; A429-V432 PolarHBondContact O-N 3.2Å; E430-V432 PolarHBondContact O-N 2.61Å; V432-S435 WeakPolarHBondContact O-CB 3.39Å; V432-S435 PolarHBondContact O-N 3.32Å; V432-R436 PolarHBondContact O-N 2.69Å
433	I	91.9	Very high	90	Very high	1 Å²	1	79.1 Å²	79.1	1%	0.005	40%	0.403	C	S	.	.	H	α-helix	trans	-64.6	-45.5	178.2	-66.5	165.5	0	0	0	110.7	W413 I417 A429 E430 S435 R436 L437 L446 L450 V453	W413-I433 HydrophobicContact CE3-CG1 3.77Å; W413-I433 HydrophobicContact CZ3-CG1 3.91Å; I417-I433 HydrophobicContact CD1-CD1 4.11Å; I417-I433 HydrophobicContact CG1-CD1 4.16Å; A429-I433 WeakPolarHBondContact O-CD1 3.06Å; A429-I433 VanDerWaalsContact O-CG1 3.27Å; A429-I433 WeakPolarHBondContact O-CG1 3.47Å; A429-I433 PolarHBondContact O-N 3.47Å; A429-I433 VanDerWaalsContact O-N 3.08Å; E430-I433 PolarHBondContact O-N 2.79Å; I433-S435 VanDerWaalsContact C-N 3.34Å; I433-S435 PolarHBondContact O-N 3.18Å; I433-R436 WeakPolarHBondContact O-CB 3.37Å; I433-R436 PolarHBondContact O-N 3.24Å; I433-R436 VanDerWaalsContact O-N 3.15Å; I433-L437 HydrophobicContact CG2-CD1 4.13Å; I433-L437 WeakPolarHBondContact O-CG 3.44Å; I433-L437 PolarHBondContact O-N 2.95Å; I433-L446 HydrophobicContact CG2-CD2 4.24Å; I433-L450 HydrophobicContact CG2-CB 3.88Å; I433-L450 HydrophobicContact CG2-CD1 4.27Å; I433-V453 HydrophobicContact CD1-CG2 3.9Å
434	R	93.2	Very high	89.7	Confident	120 Å²	120	76.7 Å²	76.7	45%	0.453	39%	0.391	S	S	.	.	H	α-helix	trans	-63.3	-39.4	176.2	-73.8	179	178.8	-130.1	3.8	111.9	E430 E431 R436 L437 N438 L450	E430-R434 HydrophobicContact CG-CG 4.28Å; E430-R434 WeakPolarHBondContact O-CB 3.4Å; E430-R434 VanDerWaalsContact O-CG 3.31Å; E430-R434 WeakPolarHBondContact O-CG 3.47Å; E430-R434 PolarHBondContact O-N 3.21Å; E430-R434 IonicContact OE1-CZ 2.83Å; E430-R434 IonicContact OE1-NE 3.84Å; E430-R434 PolarHBondContact OE1-NE 2.9Å; E430-R434 IonicContact OE1-NH2 3.85Å; E430-R434 PolarHBondContact OE1-NH2 3.44Å; E431-R434 PolarHBondContact O-N 3.35Å; R434-R436 VanDerWaalsContact C-N 3.26Å; R434-R436 PolarHBondContact O-N 3.33Å; R434-L437 PolarHBondContact O-N 3.46Å; R434-N438 WeakPolarHBondContact O-CB 3.49Å; R434-N438 PolarHBondContact O-N 3.01Å; R434-N438 PolarHBondContact O-ND2 3.23Å; R434-L450 HydrophobicContact CG-CD1 4.33Å; R434-L450 HydrophobicContact CG-CD2 4.5Å
435	S	91.9	Very high	89.6	Confident	79 Å²	79	72.5 Å²	72.5	55%	0.552	37%	0.367	S	S	*	.	H	α-helix	trans	-60.4	-38.7	174.3	-175.3	0	0	0	0	111.3	E431 V432 I433 S439	E431-S435 VanDerWaalsContact O-CB 3.26Å; E431-S435 WeakPolarHBondContact O-CB 3.49Å; E431-S435 PolarHBondContact O-N 2.95Å; V432-S435 WeakPolarHBondContact O-CB 3.39Å; V432-S435 PolarHBondContact O-N 3.32Å; I433-S435 VanDerWaalsContact C-N 3.34Å; I433-S435 PolarHBondContact O-N 3.18Å; S435-S439 PolarHBondContact O-N 2.86Å; S435-S439 VanDerWaalsContact O-N 3.17Å
436	R	89.5	Confident	89.5	Confident	85 Å²	85	67.8 Å²	67.8	32%	0.321	35%	0.346	S	S	.	.	H	α-helix	trans	-69.3	-46.4	176.9	-164.8	62.4	160.9	159.1	-8.3	111.8	D411 W413 V432 I433 R434 N438 S439 D441 L446	D411-R436 IonicContact OD2-CZ 2.66Å; D411-R436 IonicContact OD2-NE 3.59Å; D411-R436 IonicContact OD2-NH2 2.67Å; D411-R436 PolarHBondContact OD2-NH2 3.36Å; W413-R436 HydrophobicContact CH2-CB 4.11Å; W413-R436 HydrophobicContact CH2-CG 4.07Å; W413-R436 HydrophobicContact CZ2-CB 4.37Å; W413-R436 HydrophobicContact CZ2-CG 3.87Å; V432-R436 PolarHBondContact O-N 2.69Å; I433-R436 WeakPolarHBondContact O-CB 3.37Å; I433-R436 PolarHBondContact O-N 3.24Å; I433-R436 VanDerWaalsContact O-N 3.15Å; R434-R436 VanDerWaalsContact C-N 3.26Å; R434-R436 PolarHBondContact O-N 3.33Å; R436-N438 VanDerWaalsContact C-N 3.32Å; R436-N438 PolarHBondContact O-N 2.99Å; R436-S439 WeakPolarHBondContact O-CB 3.23Å; R436-S439 PolarHBondContact O-N 3.25Å; R436-S439 PolarHBondContact O-OG 3.45Å; R436-D441 HydrophobicContact CG-CB 4.33Å; R436-D441 IonicContact NE-OD2 3.18Å; R436-L446 HydrophobicContact CB-CD1 4.4Å; R436-L446 HydrophobicContact CB-CD2 4.36Å; R436-L446 HydrophobicContact CG-CD1 3.87Å; R436-L446 HydrophobicContact CG-CD2 4.2Å
437	L	90.5	Very high	89.6	Confident	15 Å²	15	62.6 Å²	62.6	8%	0.079	33%	0.327	C	S	.	.	H	α-helix	trans	-56.8	-45.1	174	-71.4	169.3	0	0	0	111.6	I433 R434 S439 G440 D441 L446 Y447 L450	I433-L437 HydrophobicContact CG2-CD1 4.13Å; I433-L437 WeakPolarHBondContact O-CG 3.44Å; I433-L437 PolarHBondContact O-N 2.95Å; R434-L437 PolarHBondContact O-N 3.46Å; L437-S439 PolarHBondContact O-N 3.47Å; L437-G440 PolarHBondContact O-N 2.94Å; L437-G440 VanDerWaalsContact O-N 3.14Å; L437-D441 WeakPolarHBondContact CD2-O 3.05Å; L437-L446 HydrophobicContact CD2-CB 3.68Å; L437-L446 HydrophobicContact CD2-CD1 4.08Å; L437-L446 HydrophobicContact CG-CB 4.23Å; L437-Y447 HydrophobicContact CD1-CD1 4.14Å; L437-Y447 HydrophobicContact CD1-CE1 3.84Å; L437-Y447 HydrophobicContact CD2-CD1 4.32Å; L437-Y447 HydrophobicContact CD2-CD2 4.27Å; L437-Y447 HydrophobicContact CD2-CE1 3.93Å; L437-Y447 HydrophobicContact CD2-CE2 3.88Å; L437-Y447 HydrophobicContact CD2-CG 4.46Å; L437-L450 HydrophobicContact CD1-CD2 3.79Å
438	N	90.7	Very high	89.6	Confident	143 Å²	143	54.8 Å²	54.8	77%	0.765	29%	0.29	S	S	*	.	H	α-helix	trans	-66.5	-20.8	178.1	-69.3	-19.2	0	0	0	113.5	R434 R436 G440	R434-N438 WeakPolarHBondContact O-CB 3.49Å; R434-N438 PolarHBondContact O-N 3.01Å; R434-N438 PolarHBondContact O-ND2 3.23Å; R436-N438 VanDerWaalsContact C-N 3.32Å; R436-N438 PolarHBondContact O-N 2.99Å; N438-G440 PolarHBondContact O-N 3.44Å
439	S	88.2	Confident	89.6	Confident	77 Å²	77	50 Å²	50	54%	0.538	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	0.3	175.2	73.4	0	0	0	0	113.8	S435 R436 L437	S435-S439 PolarHBondContact O-N 2.86Å; S435-S439 VanDerWaalsContact O-N 3.17Å; R436-S439 WeakPolarHBondContact O-CB 3.23Å; R436-S439 PolarHBondContact O-N 3.25Å; R436-S439 PolarHBondContact O-OG 3.45Å; L437-S439 PolarHBondContact O-N 3.47Å
440	G	82	Confident	89.7	Confident	63 Å²	63	50.1 Å²	50.1	65%	0.649	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.2	1	179	0	0	0	0	0	114	L437 N438 E442	L437-G440 PolarHBondContact O-N 2.94Å; L437-G440 VanDerWaalsContact O-N 3.14Å; N438-G440 PolarHBondContact O-N 3.44Å; G440-E442 PolarHBondContact O-N 2.89Å; G440-E442 VanDerWaalsContact O-N 3.15Å
441	D	80.7	Confident	89.7	Confident	30 Å²	30	47.8 Å²	47.8	16%	0.16	26%	0.259	C	S	.	.			trans	-86.1	77	176.9	-172.8	9.8	0	0	0	110.9	R93 R436 L437 S443 L446	R93-D441 IonicContact CZ-OD1 2.88Å; R93-D441 IonicContact CZ-OD2 2.74Å; R93-D441 IonicContact NH1-OD1 2.97Å; R93-D441 PolarHBondContact NH1-OD1 2.98Å; R93-D441 IonicContact NH1-OD2 3.34Å; R93-D441 PolarHBondContact NH1-OD2 3.27Å; R93-D441 IonicContact NH2-OD1 3.76Å; R93-D441 PolarHBondContact NH2-OD1 3.21Å; R436-D441 HydrophobicContact CG-CB 4.33Å; R436-D441 IonicContact NE-OD2 3.18Å; L437-D441 WeakPolarHBondContact CD2-O 3.05Å; D441-S443 PolarHBondContact O-N 3.42Å; D441-L446 HydrophobicContact CB-CD1 4.1Å; D441-L446 WeakPolarHBondContact O-CD1 3.45Å; D441-L446 WeakPolarHBondContact OD2-CD1 3.37Å
442	E	83.3	Confident	89.6	Confident	121 Å²	121	43.9 Å²	43.9	57%	0.565	24%	0.242	S	C	*	.			trans	-83.4	95.9	174.7	-64.8	-161.9	145.5	0	0	110.7	G440 Y447	G440-E442 PolarHBondContact O-N 2.89Å; G440-E442 VanDerWaalsContact O-N 3.15Å; E442-Y447 HydrophobicContact CB-CE2 4.33Å; E442-Y447 PolarHBondContact OE1-OH 3.44Å
443	S	86.4	Confident	89.6	Confident	5 Å²	5	42 Å²	42	4%	0.035	23%	0.231	C	C	.	.			trans	-121.6	146.3	-179	89.4	0	0	0	0	113	R93 D441 E445 L446 Y447	R93-S443 VanDerWaalsContact CZ-CB 3.49Å; D441-S443 PolarHBondContact O-N 3.42Å; S443-E445 PolarHBondContact O-N 3.23Å; S443-L446 PolarHBondContact O-N 2.99Å; S443-L446 WeakPolarHBondContact OG-CB 3.49Å; S443-L446 VanDerWaalsContact OG-CG 3.27Å; S443-L446 WeakPolarHBondContact OG-CG 3.43Å; S443-L446 PolarHBondContact OG-N 2.98Å; S443-Y447 WeakPolarHBondContact O-CD2 3.45Å; S443-Y447 PolarHBondContact O-N 2.82Å; S443-Y447 VanDerWaalsContact O-N 3.11Å
444	A	88.1	Confident	89.5	Confident	6 Å²	6	43.8 Å²	43.8	5%	0.05	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-36.9	174.4	0	0	0	0	0	111.3	Y447 C448 A463	A444-Y447 PolarHBondContact O-N 3.23Å; A444-C448 WeakPolarHBondContact O-CB 3.41Å; A444-C448 PolarHBondContact O-N 3.13Å; A444-C448 PolarHBondContact O-SG 3.3Å; A444-A463 HydrophobicContact CB-CB 4.45Å; A444-A463 WeakPolarHBondContact O-CB 3.41Å
445	E	88.5	Confident	89.3	Confident	65 Å²	65	43.3 Å²	43.3	30%	0.304	25%	0.249	S	C	.	.	H	α-helix	trans	-61.4	-45.6	176.4	-177.6	177.7	-164.4	0	0	112.4	S443 C448 S449 R473	S443-E445 PolarHBondContact O-N 3.23Å; E445-C448 PolarHBondContact O-N 3.13Å; E445-S449 VanDerWaalsContact O-CB 3.3Å; E445-S449 WeakPolarHBondContact O-CB 3.27Å; E445-S449 PolarHBondContact O-N 3.47Å; E445-S449 PolarHBondContact O-OG 3.42Å; E445-R473 IonicContact OE1-NH1 3.96Å
446	L	90.7	Very high	89.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.6	-41.3	179.8	-77.6	169.9	0	0	0	111.7	W413 I433 R436 L437 D441 S443 S449 L450	W413-L446 HydrophobicContact CD2-CD2 3.65Å; W413-L446 HydrophobicContact CE3-CD2 4.21Å; W413-L446 HydrophobicContact CG-CD2 4.14Å; W413-L446 HydrophobicContact CH2-CD2 4.12Å; W413-L446 HydrophobicContact CZ2-CD2 3.56Å; W413-L446 HydrophobicContact CZ3-CD2 4.41Å; I433-L446 HydrophobicContact CG2-CD2 4.24Å; R436-L446 HydrophobicContact CB-CD1 4.4Å; R436-L446 HydrophobicContact CB-CD2 4.36Å; R436-L446 HydrophobicContact CG-CD1 3.87Å; R436-L446 HydrophobicContact CG-CD2 4.2Å; L437-L446 HydrophobicContact CD2-CB 3.68Å; L437-L446 HydrophobicContact CD2-CD1 4.08Å; L437-L446 HydrophobicContact CG-CB 4.23Å; D441-L446 HydrophobicContact CB-CD1 4.1Å; D441-L446 WeakPolarHBondContact O-CD1 3.45Å; D441-L446 WeakPolarHBondContact OD2-CD1 3.37Å; S443-L446 PolarHBondContact O-N 2.99Å; S443-L446 WeakPolarHBondContact OG-CB 3.49Å; S443-L446 VanDerWaalsContact OG-CG 3.27Å; S443-L446 WeakPolarHBondContact OG-CG 3.43Å; S443-L446 PolarHBondContact OG-N 2.98Å; L446-S449 PolarHBondContact O-N 3.44Å; L446-L450 WeakPolarHBondContact O-CB 3.38Å; L446-L450 PolarHBondContact O-N 3.04Å
447	Y	93.6	Very high	89.3	Confident	10 Å²	10	43.5 Å²	43.5	4%	0.039	24%	0.241	C	C	.	.	H	α-helix	trans	-66.9	-37.6	174.8	-75.1	-62.3	0	0	0	112.3	L437 E442 S443 A444 L450 G451 H459 K462 V466	L437-Y447 HydrophobicContact CD1-CD1 4.14Å; L437-Y447 HydrophobicContact CD1-CE1 3.84Å; L437-Y447 HydrophobicContact CD2-CD1 4.32Å; L437-Y447 HydrophobicContact CD2-CD2 4.27Å; L437-Y447 HydrophobicContact CD2-CE1 3.93Å; L437-Y447 HydrophobicContact CD2-CE2 3.88Å; L437-Y447 HydrophobicContact CD2-CG 4.46Å; E442-Y447 HydrophobicContact CB-CE2 4.33Å; E442-Y447 PolarHBondContact OE1-OH 3.44Å; S443-Y447 WeakPolarHBondContact O-CD2 3.45Å; S443-Y447 PolarHBondContact O-N 2.82Å; S443-Y447 VanDerWaalsContact O-N 3.11Å; A444-Y447 PolarHBondContact O-N 3.23Å; Y447-L450 PolarHBondContact O-N 3.05Å; Y447-G451 PolarHBondContact O-N 3.22Å; Y447-H459 WeakPolarHBondContact O-CB 3.37Å; Y447-K462 HydrophobicContact CD1-CB 4.42Å; Y447-K462 HydrophobicContact CD1-CD 3.94Å; Y447-K462 HydrophobicContact CD1-CG 4.18Å; Y447-K462 HydrophobicContact CD2-CG 4.41Å; Y447-K462 HydrophobicContact CE1-CD 3.46Å; Y447-K462 VanDerWaalsContact CE1-CD 3.46Å; Y447-K462 HydrophobicContact CE1-CG 4.08Å; Y447-K462 HydrophobicContact CE2-CD 4.36Å; Y447-K462 HydrophobicContact CE2-CG 4.32Å; Y447-K462 HydrophobicContact CG-CG 4.37Å; Y447-K462 WeakPolarHBondContact OH-CE 3.4Å; Y447-K462 PolarHBondContact OH-NZ 2.95Å; Y447-V466 HydrophobicContact CD2-CB 4.49Å; Y447-V466 HydrophobicContact CD2-CG2 4.1Å; Y447-V466 HydrophobicContact CE2-CG2 3.83Å
448	C	92.6	Very high	89.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-46.9	171.3	-68.6	0	0	0	0	111.1	A444 E445 L450 G451 D452 Y460 A474	A444-C448 WeakPolarHBondContact O-CB 3.41Å; A444-C448 PolarHBondContact O-N 3.13Å; A444-C448 PolarHBondContact O-SG 3.3Å; E445-C448 PolarHBondContact O-N 3.13Å; C448-L450 VanDerWaalsContact C-N 3.3Å; C448-L450 PolarHBondContact O-N 2.61Å; C448-G451 CarbonylContact O-C 3.55Å; C448-G451 WeakPolarHBondContact O-CA 3.48Å; C448-G451 PolarHBondContact O-N 3.15Å; C448-D452 PolarHBondContact O-N 3.12Å; C448-Y460 WeakPolarHBondContact O-CE1 3.4Å; C448-A474 VanDerWaalsContact SG-CA 3.52Å
449	S	91.7	Very high	89.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.4	-40	178.1	-59.2	0	0	0	0	111.4	W413 I417 E445 L446 D452 V453	W413-S449 VanDerWaalsContact CB-OG 3.26Å; W413-S449 WeakPolarHBondContact CB-OG 3.47Å; I417-S449 WeakPolarHBondContact CD1-O 3.27Å; E445-S449 VanDerWaalsContact O-CB 3.3Å; E445-S449 WeakPolarHBondContact O-CB 3.27Å; E445-S449 PolarHBondContact O-N 3.47Å; E445-S449 PolarHBondContact O-OG 3.42Å; L446-S449 PolarHBondContact O-N 3.44Å; S449-D452 PolarHBondContact O-N 3.14Å; S449-V453 WeakPolarHBondContact O-CG2 3.08Å; S449-V453 PolarHBondContact O-N 3.25Å
450	L	93	Very high	90	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-65.4	-39.2	173.4	-173.8	56.7	0	0	0	111.9	E430 I433 R434 L437 L446 Y447 C448 V453 T454 H459	E430-L450 HydrophobicContact CG-CD1 3.92Å; I433-L450 HydrophobicContact CG2-CB 3.88Å; I433-L450 HydrophobicContact CG2-CD1 4.27Å; R434-L450 HydrophobicContact CG-CD1 4.33Å; R434-L450 HydrophobicContact CG-CD2 4.5Å; L437-L450 HydrophobicContact CD1-CD2 3.79Å; L446-L450 WeakPolarHBondContact O-CB 3.38Å; L446-L450 PolarHBondContact O-N 3.04Å; Y447-L450 PolarHBondContact O-N 3.05Å; C448-L450 VanDerWaalsContact C-N 3.3Å; C448-L450 PolarHBondContact O-N 2.61Å; L450-V453 PolarHBondContact O-N 3.29Å; L450-T454 HydrophobicContact CD1-CG2 3.95Å; L450-T454 HydrophobicContact CG-CG2 4.42Å; L450-T454 WeakPolarHBondContact O-CB 3.45Å; L450-T454 WeakPolarHBondContact O-CG2 3.19Å; L450-T454 PolarHBondContact O-N 3.03Å; L450-T454 PolarHBondContact O-OG1 3.29Å; L450-H459 WeakPolarHBondContact CD2-CD2 3.29Å
451	G	92.4	Very high	90.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-45.3	171.8	0	0	0	0	0	112.1	Y447 C448 V453 T454 N455 Y460	Y447-G451 PolarHBondContact O-N 3.22Å; C448-G451 CarbonylContact O-C 3.55Å; C448-G451 WeakPolarHBondContact O-CA 3.48Å; C448-G451 PolarHBondContact O-N 3.15Å; G451-V453 VanDerWaalsContact C-N 3.26Å; G451-V453 PolarHBondContact O-N 2.99Å; G451-T454 PolarHBondContact O-N 3.24Å; G451-N455 VanDerWaalsContact O-CA 3.24Å; G451-N455 WeakPolarHBondContact O-CA 3.34Å; G451-N455 PolarHBondContact O-N 2.94Å; G451-Y460 VanDerWaalsContact C-CZ 3.46Å; G451-Y460 PolarHBondContact O-OH 3.33Å
452	D	91.3	Very high	91.2	Very high	52 Å²	52	43.8 Å²	43.8	28%	0.278	21%	0.211	S	C	.	.	H	α-helix	trans	-63	-34.6	178.7	-60.6	-22.2	0	0	0	111.2	I417 C448 S449 Y460 R473	I417-D452 HydrophobicContact CD1-CB 4.47Å; C448-D452 PolarHBondContact O-N 3.12Å; S449-D452 PolarHBondContact O-N 3.14Å; D452-Y460 WeakPolarHBondContact CA-OH 3.46Å; D452-Y460 PolarHBondContact N-OH 2.93Å; D452-Y460 VanDerWaalsContact N-OH 3.13Å; D452-Y460 WeakPolarHBondContact OD1-CE1 2.98Å; D452-Y460 PolarHBondContact OD1-OH 3.39Å; D452-R473 IonicContact OD2-NH2 3.33Å
453	V	90.9	Very high	91.7	Very high	3 Å²	3	38 Å²	38	2%	0.018	18%	0.184	C	C	.	.	H	α-helix	trans	-77.6	-38	175.4	176.4	0	0	0	0	112.6	I417 R426 A429 E430 I433 S449 L450 G451	I417-V453 HydrophobicContact CB-CG2 4.21Å; I417-V453 HydrophobicContact CD1-CG2 3.6Å; I417-V453 HydrophobicContact CG1-CG2 3.46Å; I417-V453 VanDerWaalsContact CG1-CG2 3.46Å; I417-V453 HydrophobicContact CG2-CG2 3.72Å; R426-V453 HydrophobicContact CG-CG1 4.01Å; R426-V453 PolarHBondContact NE-O 3.45Å; R426-V453 PolarHBondContact NH2-O 3.2Å; A429-V453 HydrophobicContact CB-CG1 4.23Å; A429-V453 HydrophobicContact CB-CG2 4.09Å; E430-V453 HydrophobicContact CB-CG1 3.93Å; I433-V453 HydrophobicContact CD1-CG2 3.9Å; S449-V453 WeakPolarHBondContact O-CG2 3.08Å; S449-V453 PolarHBondContact O-N 3.25Å; L450-V453 PolarHBondContact O-N 3.29Å; G451-V453 VanDerWaalsContact C-N 3.26Å; G451-V453 PolarHBondContact O-N 2.99Å
454	T	90.7	Very high	92.1	Very high	40 Å²	40	39.6 Å²	39.6	25%	0.245	19%	0.189	C	C	.	.	H	α-helix	trans	-94	-16	-174	56	0	0	0	0	113.3	L450 G451 D456 H459	L450-T454 HydrophobicContact CD1-CG2 3.95Å; L450-T454 HydrophobicContact CG-CG2 4.42Å; L450-T454 WeakPolarHBondContact O-CB 3.45Å; L450-T454 WeakPolarHBondContact O-CG2 3.19Å; L450-T454 PolarHBondContact O-N 3.03Å; L450-T454 PolarHBondContact O-OG1 3.29Å; G451-T454 PolarHBondContact O-N 3.24Å; T454-D456 PolarHBondContact O-N 3.38Å; T454-D456 PolarHBondContact OG1-N 3.16Å; T454-H459 PolarHBondContact OG1-CE1 2.82Å; T454-H459 PolarHBondContact OG1-ND1 2.78Å; T454-H459 VanDerWaalsContact OG1-ND1 3.13Å
455	N	88	Confident	92.3	Very high	110 Å²	110	44.6 Å²	44.6	59%	0.588	22%	0.215	S	C	*	.			trans	52.1	27.2	-165.3	-64.8	-31.6	0	0	0	113	R426 G451	R426-N455 PolarHBondContact NH2-ND2 3.16Å; G451-N455 VanDerWaalsContact O-CA 3.24Å; G451-N455 WeakPolarHBondContact O-CA 3.34Å; G451-N455 PolarHBondContact O-N 2.94Å
456	D	91.1	Very high	92.4	Very high	53 Å²	53	44 Å²	44	28%	0.283	22%	0.216	S	C	.	.			trans	-102.2	119.4	178	177.8	14.4	0	0	0	111.4	T454 Q458 H459	T454-D456 PolarHBondContact O-N 3.38Å; T454-D456 PolarHBondContact OG1-N 3.16Å; D456-Q458 PolarHBondContact O-N 2.86Å; D456-Q458 WeakPolarHBondContact OD1-CG 3.42Å; D456-Q458 PolarHBondContact OD1-N 3.46Å; D456-H459 PolarHBondContact O-N 3.34Å; D456-H459 PolarHBondContact O-ND1 3.25Å; D456-H459 IonicContact OD2-CE1 3.09Å; D456-H459 PolarHBondContact OD2-CE1 3.44Å; D456-H459 IonicContact OD2-ND1 2.66Å
457	R	92	Very high	92.3	Very high	115 Å²	115	44.6 Å²	44.6	43%	0.434	22%	0.22	S	C	.	.	H	α-helix	trans	-58.7	-25.8	179.5	64.4	-176.3	170.4	-157.8	-4.2	114.7	H459 Y460 L461 L478 T481 D486	R457-H459 PolarHBondContact O-N 2.86Å; R457-Y460 PolarHBondContact O-N 3.03Å; R457-L461 PolarHBondContact O-N 3.24Å; R457-L461 VanDerWaalsContact O-N 3.11Å; R457-L478 HydrophobicContact CB-CD1 4.08Å; R457-T481 HydrophobicContact CB-CG2 4.31Å; R457-D486 IonicContact NH1-OD1 3.63Å; R457-D486 IonicContact NH1-OD2 2.85Å; R457-D486 PolarHBondContact NH1-OD2 3.17Å
458	Q	93.7	Very high	92	Very high	134 Å²	134	46.4 Å²	46.4	63%	0.626	24%	0.242	S	C	*	.	H	α-helix	trans	-61.1	-32.6	179.5	-64.2	-175.1	19.2	0	0	111.6	D456 L461 K462	D456-Q458 PolarHBondContact O-N 2.86Å; D456-Q458 WeakPolarHBondContact OD1-CG 3.42Å; D456-Q458 PolarHBondContact OD1-N 3.46Å; Q458-L461 PolarHBondContact O-N 2.94Å; Q458-K462 WeakPolarHBondContact O-CB 3.12Å; Q458-K462 PolarHBondContact O-N 3.09Å
459	H	94.4	Very high	91.9	Very high	30 Å²	30	49.6 Å²	49.6	14%	0.139	26%	0.263	C	S	.	.	H	α-helix	trans	-69.1	-38.4	177.6	-59.4	101.5	0	0	0	112.1	Y447 L450 T454 D456 R457 K462 A463	Y447-H459 WeakPolarHBondContact O-CB 3.37Å; L450-H459 WeakPolarHBondContact CD2-CD2 3.29Å; T454-H459 PolarHBondContact OG1-CE1 2.82Å; T454-H459 PolarHBondContact OG1-ND1 2.78Å; T454-H459 VanDerWaalsContact OG1-ND1 3.13Å; D456-H459 PolarHBondContact O-N 3.34Å; D456-H459 PolarHBondContact O-ND1 3.25Å; D456-H459 IonicContact OD2-CE1 3.09Å; D456-H459 PolarHBondContact OD2-CE1 3.44Å; D456-H459 IonicContact OD2-ND1 2.66Å; R457-H459 PolarHBondContact O-N 2.86Å; H459-K462 PolarHBondContact O-N 3.18Å; H459-A463 WeakPolarHBondContact O-CB 3.39Å; H459-A463 PolarHBondContact O-N 2.96Å
460	Y	95.1	Very high	91.8	Very high	10 Å²	10	55.8 Å²	55.8	4%	0.039	29%	0.29	C	S	.	.	H	α-helix	trans	-67.7	-37.5	174.6	-56.4	-54.4	0	0	0	112.4	C448 G451 D452 R457 A463 W464 S477 T481	C448-Y460 WeakPolarHBondContact O-CE1 3.4Å; G451-Y460 VanDerWaalsContact C-CZ 3.46Å; G451-Y460 PolarHBondContact O-OH 3.33Å; D452-Y460 WeakPolarHBondContact CA-OH 3.46Å; D452-Y460 PolarHBondContact N-OH 2.93Å; D452-Y460 VanDerWaalsContact N-OH 3.13Å; D452-Y460 WeakPolarHBondContact OD1-CE1 2.98Å; D452-Y460 PolarHBondContact OD1-OH 3.39Å; R457-Y460 PolarHBondContact O-N 3.03Å; Y460-A463 WeakPolarHBondContact O-CB 3.3Å; Y460-A463 PolarHBondContact O-N 3.06Å; Y460-W464 WeakPolarHBondContact O-CB 3.41Å; Y460-W464 PolarHBondContact O-N 2.75Å; Y460-S477 VanDerWaalsContact CE1-CB 3.46Å; Y460-T481 WeakPolarHBondContact CE2-OG1 3.41Å
461	L	94.5	Very high	91.8	Very high	69 Å²	69	55.6 Å²	55.6	36%	0.361	29%	0.29	S	S	.	.	H	α-helix	trans	-63.8	-43.3	172.9	-71.5	170.7	0	0	0	111.3	R457 Q458 A463 W464 D465 L478	R457-L461 PolarHBondContact O-N 3.24Å; R457-L461 VanDerWaalsContact O-N 3.11Å; Q458-L461 PolarHBondContact O-N 2.94Å; L461-A463 VanDerWaalsContact C-N 3.35Å; L461-A463 PolarHBondContact O-N 2.81Å; L461-W464 WeakPolarHBondContact O-CB 3.28Å; L461-W464 PolarHBondContact O-N 3.37Å; L461-D465 VanDerWaalsContact O-CG 3.31Å; L461-D465 PolarHBondContact O-N 3.34Å; L461-L478 HydrophobicContact CD2-CD2 3.62Å; L461-L478 HydrophobicContact CG-CD1 4.38Å; L461-L478 HydrophobicContact CG-CD2 4.32Å
462	K	93.8	Very high	91.8	Very high	90 Å²	90	55.8 Å²	55.8	39%	0.391	29%	0.291	S	S	.	.	H	α-helix	trans	-64.1	-39.7	174.9	-168.9	170.8	-176.5	-166.4	0	112	Y447 Q458 H459 W464 D465 V466	Y447-K462 HydrophobicContact CD1-CB 4.42Å; Y447-K462 HydrophobicContact CD1-CD 3.94Å; Y447-K462 HydrophobicContact CD1-CG 4.18Å; Y447-K462 HydrophobicContact CD2-CG 4.41Å; Y447-K462 HydrophobicContact CE1-CD 3.46Å; Y447-K462 VanDerWaalsContact CE1-CD 3.46Å; Y447-K462 HydrophobicContact CE1-CG 4.08Å; Y447-K462 HydrophobicContact CE2-CD 4.36Å; Y447-K462 HydrophobicContact CE2-CG 4.32Å; Y447-K462 HydrophobicContact CG-CG 4.37Å; Y447-K462 WeakPolarHBondContact OH-CE 3.4Å; Y447-K462 PolarHBondContact OH-NZ 2.95Å; Q458-K462 WeakPolarHBondContact O-CB 3.12Å; Q458-K462 PolarHBondContact O-N 3.09Å; H459-K462 PolarHBondContact O-N 3.18Å; K462-W464 VanDerWaalsContact C-N 3.28Å; K462-W464 PolarHBondContact O-N 2.9Å; K462-D465 PolarHBondContact O-N 3.2Å; K462-V466 HydrophobicContact CG-CG2 4.29Å; K462-V466 WeakPolarHBondContact O-CB 3.3Å; K462-V466 VanDerWaalsContact O-CG2 3.22Å; K462-V466 WeakPolarHBondContact O-CG2 3.32Å; K462-V466 PolarHBondContact O-N 3.48Å
463	A	93.3	Very high	91.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.4	-42	173.7	0	0	0	0	0	111.7	A444 H459 Y460 L461 S467 A474	A444-A463 HydrophobicContact CB-CB 4.45Å; A444-A463 WeakPolarHBondContact O-CB 3.41Å; H459-A463 WeakPolarHBondContact O-CB 3.39Å; H459-A463 PolarHBondContact O-N 2.96Å; Y460-A463 WeakPolarHBondContact O-CB 3.3Å; Y460-A463 PolarHBondContact O-N 3.06Å; L461-A463 VanDerWaalsContact C-N 3.35Å; L461-A463 PolarHBondContact O-N 2.81Å; A463-S467 WeakPolarHBondContact O-CB 3.31Å; A463-S467 PolarHBondContact O-N 3.25Å; A463-S467 PolarHBondContact O-OG 3.13Å; A463-A474 HydrophobicContact CB-CB 3.75Å
464	W	94.2	Very high	92	Very high	38 Å²	38	54.5 Å²	54.5	14%	0.144	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-47.3	176.8	176.5	-104.9	0	0	0	111.9	Y460 L461 K462 S467 G468 C469 S471 A474 I475 I502	Y460-W464 WeakPolarHBondContact O-CB 3.41Å; Y460-W464 PolarHBondContact O-N 2.75Å; L461-W464 WeakPolarHBondContact O-CB 3.28Å; L461-W464 PolarHBondContact O-N 3.37Å; K462-W464 VanDerWaalsContact C-N 3.28Å; K462-W464 PolarHBondContact O-N 2.9Å; W464-S467 PolarHBondContact O-N 3Å; W464-S467 PolarHBondContact O-OG 3.31Å; W464-G468 PolarHBondContact O-N 3.46Å; W464-C469 HydrophobicContact CD2-CB 4.41Å; W464-C469 VanDerWaalsContact CE2-SG 3.58Å; W464-C469 VanDerWaalsContact CH2-CA 3.5Å; W464-C469 HydrophobicContact CH2-CB 3.75Å; W464-C469 WeakPolarHBondContact CH2-O 3.41Å; W464-C469 VanDerWaalsContact CZ2-CA 3.42Å; W464-C469 HydrophobicContact CZ2-CB 3.27Å; W464-C469 VanDerWaalsContact CZ3-C 3.49Å; W464-C469 HydrophobicContact CZ3-CB 4.47Å; W464-C469 PolarHBondContact NE1-SG 2.8Å; W464-C469 PolarHBondContact O-N 2.75Å; W464-S471 WeakPolarHBondContact CZ3-O 3.3Å; W464-A474 HydrophobicContact CB-CB 4.23Å; W464-I475 HydrophobicContact CD2-CB 4.45Å; W464-I475 HydrophobicContact CE3-CB 3.8Å; W464-I475 HydrophobicContact CE3-CG2 4.31Å; W464-I475 HydrophobicContact CH2-CB 4.48Å; W464-I475 HydrophobicContact CZ3-CB 3.82Å; W464-I475 HydrophobicContact CZ3-CG2 3.89Å; W464-I502 HydrophobicContact CH2-CD1 3.63Å; W464-I502 HydrophobicContact CZ3-CD1 3.57Å
465	D	93.5	Very high	92.2	Very high	111 Å²	111	52.8 Å²	52.8	59%	0.594	27%	0.271	S	S	*	.	H	α-helix	trans	-64.3	-45.1	178.3	-65.2	-25.7	0	0	0	112	L461 K462 S467 G468	L461-D465 VanDerWaalsContact O-CG 3.31Å; L461-D465 PolarHBondContact O-N 3.34Å; K462-D465 PolarHBondContact O-N 3.2Å; D465-S467 VanDerWaalsContact C-N 3.28Å; D465-S467 PolarHBondContact O-N 3.19Å; D465-G468 PolarHBondContact O-N 2.77Å
466	V	90.4	Very high	92.5	Very high	53 Å²	53	50 Å²	50	32%	0.321	25%	0.253	S	S	.	.	H	α-helix	trans	-63.1	-34.5	177.8	170.1	0	0	0	0	111.6	Y447 K462 G468	Y447-V466 HydrophobicContact CD2-CB 4.49Å; Y447-V466 HydrophobicContact CD2-CG2 4.1Å; Y447-V466 HydrophobicContact CE2-CG2 3.83Å; K462-V466 HydrophobicContact CG-CG2 4.29Å; K462-V466 WeakPolarHBondContact O-CB 3.3Å; K462-V466 VanDerWaalsContact O-CG2 3.22Å; K462-V466 WeakPolarHBondContact O-CG2 3.32Å; K462-V466 PolarHBondContact O-N 3.48Å; V466-G468 PolarHBondContact O-N 2.96Å
467	S	88.2	Confident	92.7	Very high	12 Å²	12	48.4 Å²	48.4	8%	0.084	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-6.5	174.3	78.6	0	0	0	0	114.1	A463 W464 D465 C469 K470 S471	A463-S467 WeakPolarHBondContact O-CB 3.31Å; A463-S467 PolarHBondContact O-N 3.25Å; A463-S467 PolarHBondContact O-OG 3.13Å; W464-S467 PolarHBondContact O-N 3Å; W464-S467 PolarHBondContact O-OG 3.31Å; D465-S467 VanDerWaalsContact C-N 3.28Å; D465-S467 PolarHBondContact O-N 3.19Å; S467-C469 VanDerWaalsContact C-N 3.33Å; S467-C469 PolarHBondContact OG-N 2.66Å; S467-K470 WeakPolarHBondContact O-CB 3.38Å; S467-K470 PolarHBondContact O-N 3.46Å; S467-K470 PolarHBondContact OG-N 3.36Å; S467-S471 PolarHBondContact OG-N 3.48Å; S467-S471 VanDerWaalsContact OG-N 3.08Å
468	G	88	Confident	92.9	Very high	48 Å²	48	43.3 Å²	43.3	50%	0.495	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	38.1	-172.3	0	0	0	0	0	112.7	W464 D465 V466 K470	W464-G468 PolarHBondContact O-N 3.46Å; D465-G468 PolarHBondContact O-N 2.77Å; V466-G468 PolarHBondContact O-N 2.96Å; G468-K470 VanDerWaalsContact C-N 3.31Å; G468-K470 PolarHBondContact O-N 3.43Å
469	C	90	Very high	93	Very high	67 Å²	67	36.9 Å²	36.9	45%	0.453	20%	0.197	S	C	.	.	S	Bend	trans	64.1	29	-177.1	-56.2	0	0	0	0	114.5	W464 S467	W464-C469 HydrophobicContact CD2-CB 4.41Å; W464-C469 VanDerWaalsContact CE2-SG 3.58Å; W464-C469 VanDerWaalsContact CH2-CA 3.5Å; W464-C469 HydrophobicContact CH2-CB 3.75Å; W464-C469 WeakPolarHBondContact CH2-O 3.41Å; W464-C469 VanDerWaalsContact CZ2-CA 3.42Å; W464-C469 HydrophobicContact CZ2-CB 3.27Å; W464-C469 VanDerWaalsContact CZ3-C 3.49Å; W464-C469 HydrophobicContact CZ3-CB 4.47Å; W464-C469 PolarHBondContact NE1-SG 2.8Å; W464-C469 PolarHBondContact O-N 2.75Å; S467-C469 VanDerWaalsContact C-N 3.33Å; S467-C469 PolarHBondContact OG-N 2.66Å
470	K	90	Very high	93	Very high	130 Å²	130	38.1 Å²	38.1	57%	0.565	21%	0.206	S	C	*	.			trans	-109.3	-22.5	-178.2	-63.5	177.6	-178.1	175.3	0	113.9	E87 S467 G468 A472 I502	E87-K470 CarbonylContact C-O 3.54Å; S467-K470 WeakPolarHBondContact O-CB 3.38Å; S467-K470 PolarHBondContact O-N 3.46Å; S467-K470 PolarHBondContact OG-N 3.36Å; G468-K470 VanDerWaalsContact C-N 3.31Å; G468-K470 PolarHBondContact O-N 3.43Å; K470-A472 PolarHBondContact O-N 3.1Å; K470-I502 WeakPolarHBondContact O-CG2 3.5Å
471	S	91.9	Very high	93	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.021	21%	0.21	C	C	.	.			trans	-77.9	112.3	-175.3	177.8	0	0	0	0	112	W464 S467 R473 A474	W464-S471 WeakPolarHBondContact CZ3-O 3.3Å; S467-S471 PolarHBondContact OG-N 3.48Å; S467-S471 VanDerWaalsContact OG-N 3.08Å; S471-R473 VanDerWaalsContact C-N 3.28Å; S471-R473 PolarHBondContact O-N 3.28Å; S471-R473 PolarHBondContact OG-N 3.23Å; S471-A474 PolarHBondContact O-N 3.44Å; S471-A474 PolarHBondContact OG-N 3.07Å
472	A	92.6	Very high	93	Very high	3 Å²	3	37.1 Å²	37.1	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-35.8	171.7	0	0	0	0	0	112	K470 I475 R476 S499 I502 N503	K470-A472 PolarHBondContact O-N 3.1Å; A472-I475 WeakPolarHBondContact O-CG2 3.39Å; A472-R476 WeakPolarHBondContact O-CB 3.32Å; A472-R476 WeakPolarHBondContact O-CG 3.17Å; A472-R476 PolarHBondContact O-N 2.83Å; A472-S499 PolarHBondContact O-OG 3.49Å; A472-I502 HydrophobicContact CB-CB 4.31Å; A472-I502 HydrophobicContact CB-CG2 3.97Å; A472-N503 HydrophobicContact CB-CB 4.04Å
473	R	92.5	Very high	93.1	Very high	28 Å²	28	33.9 Å²	33.9	11%	0.106	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-43.9	177.6	-177.7	177.9	174.5	178.8	-2.7	112.6	S414 E445 D452 S471 R476 S477	S414-R473 PolarHBondContact OG-NH2 3.49Å; E445-R473 IonicContact OE1-NH1 3.96Å; D452-R473 IonicContact OD2-NH2 3.33Å; S471-R473 VanDerWaalsContact C-N 3.28Å; S471-R473 PolarHBondContact O-N 3.28Å; S471-R473 PolarHBondContact OG-N 3.23Å; R473-R476 WeakPolarHBondContact O-CG 3.45Å; R473-S477 WeakPolarHBondContact O-CB 3.27Å; R473-S477 PolarHBondContact O-N 3.48Å; R473-S477 PolarHBondContact O-OG 3.09Å
474	A	93.5	Very high	93.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-48.4	-179.1	0	0	0	0	0	112.1	C448 A463 W464 S471 S477 L478	C448-A474 VanDerWaalsContact SG-CA 3.52Å; A463-A474 HydrophobicContact CB-CB 3.75Å; W464-A474 HydrophobicContact CB-CB 4.23Å; S471-A474 PolarHBondContact O-N 3.44Å; S471-A474 PolarHBondContact OG-N 3.07Å; A474-S477 PolarHBondContact O-N 3.34Å; A474-L478 PolarHBondContact O-N 3.41Å; A474-L478 VanDerWaalsContact O-N 3.1Å
475	I	95.6	Very high	93	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-74	-32.5	-176.8	-167.2	66.8	0	0	0	112.5	W464 A472 L478 A479 C495 K498 I502	W464-I475 HydrophobicContact CD2-CB 4.45Å; W464-I475 HydrophobicContact CE3-CB 3.8Å; W464-I475 HydrophobicContact CE3-CG2 4.31Å; W464-I475 HydrophobicContact CH2-CB 4.48Å; W464-I475 HydrophobicContact CZ3-CB 3.82Å; W464-I475 HydrophobicContact CZ3-CG2 3.89Å; A472-I475 WeakPolarHBondContact O-CG2 3.39Å; I475-L478 HydrophobicContact CD1-CD2 4.07Å; I475-L478 PolarHBondContact O-N 3.48Å; I475-A479 PolarHBondContact O-N 3.5Å; I475-C495 HydrophobicContact CD1-CB 4.02Å; I475-C495 HydrophobicContact CG1-CB 4.07Å; I475-C495 WeakPolarHBondContact CG1-O 3.25Å; I475-K498 HydrophobicContact CG1-CB 4.03Å; I475-I502 HydrophobicContact CG2-CD1 4.33Å
476	R	95	Very high	92.8	Very high	52 Å²	52	42.3 Å²	42.3	20%	0.196	23%	0.227	C	C	.	.	H	α-helix	trans	-67.6	-39.7	172.9	80.4	-171.6	179.9	-175.2	-0.3	112.1	E140 A472 R473 L478 A479 V480 V509	E140-R476 IonicContact OE1-CZ 2.76Å; E140-R476 IonicContact OE1-NH1 3.07Å; E140-R476 PolarHBondContact OE1-NH1 3.09Å; E140-R476 IonicContact OE1-NH2 3.5Å; E140-R476 PolarHBondContact OE1-NH2 3.13Å; E140-R476 IonicContact OE2-NH1 3.67Å; A472-R476 WeakPolarHBondContact O-CB 3.32Å; A472-R476 WeakPolarHBondContact O-CG 3.17Å; A472-R476 PolarHBondContact O-N 2.83Å; R473-R476 WeakPolarHBondContact O-CG 3.45Å; R476-L478 VanDerWaalsContact C-N 3.32Å; R476-L478 PolarHBondContact O-N 3.34Å; R476-A479 WeakPolarHBondContact O-CB 3.45Å; R476-A479 PolarHBondContact O-N 2.7Å; R476-V480 WeakPolarHBondContact O-CG2 3.47Å; R476-V480 PolarHBondContact O-N 3.38Å; R476-V509 HydrophobicContact CB-CG2 4.38Å
477	S	94.5	Very high	92.9	Very high	18 Å²	18	46.6 Å²	46.6	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-65	-37.5	175.4	-68.1	0	0	0	0	111.8	Y460 R473 A474 V480 T481	Y460-S477 VanDerWaalsContact CE1-CB 3.46Å; R473-S477 WeakPolarHBondContact O-CB 3.27Å; R473-S477 PolarHBondContact O-N 3.48Å; R473-S477 PolarHBondContact O-OG 3.09Å; A474-S477 PolarHBondContact O-N 3.34Å; S477-V480 PolarHBondContact O-N 2.82Å; S477-T481 PolarHBondContact O-N 3.11Å; S477-T481 PolarHBondContact O-OG1 3.21Å
478	L	95.3	Very high	93.3	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.042	25%	0.25	C	C	.	.	H	α-helix	trans	-62.7	-42.2	171.3	-173.3	65.1	0	0	0	111.8	R457 L461 A474 I475 R476 V480 T481 Y482	R457-L478 HydrophobicContact CB-CD1 4.08Å; L461-L478 HydrophobicContact CD2-CD2 3.62Å; L461-L478 HydrophobicContact CG-CD1 4.38Å; L461-L478 HydrophobicContact CG-CD2 4.32Å; A474-L478 PolarHBondContact O-N 3.41Å; A474-L478 VanDerWaalsContact O-N 3.1Å; I475-L478 HydrophobicContact CD1-CD2 4.07Å; I475-L478 PolarHBondContact O-N 3.48Å; R476-L478 VanDerWaalsContact C-N 3.32Å; R476-L478 PolarHBondContact O-N 3.34Å; L478-V480 PolarHBondContact O-N 2.89Å; L478-T481 WeakPolarHBondContact O-CB 3.26Å; L478-T481 PolarHBondContact O-N 3.28Å; L478-Y482 HydrophobicContact CD1-CD2 4.41Å; L478-Y482 HydrophobicContact CD1-CE2 3.88Å; L478-Y482 HydrophobicContact CD2-CE2 3.94Å; L478-Y482 HydrophobicContact CG-CD2 4Å; L478-Y482 HydrophobicContact CG-CE2 3.59Å; L478-Y482 WeakPolarHBondContact O-CD2 3.25Å; L478-Y482 PolarHBondContact O-N 3.36Å
479	A	96.1	Very high	93.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-45.7	176.8	0	0	0	0	0	112.3	I475 R476 T481 Y482 M483 A492 C495 F496	I475-A479 PolarHBondContact O-N 3.5Å; R476-A479 WeakPolarHBondContact O-CB 3.45Å; R476-A479 PolarHBondContact O-N 2.7Å; A479-T481 VanDerWaalsContact C-N 3.29Å; A479-T481 PolarHBondContact O-N 2.99Å; A479-Y482 PolarHBondContact O-N 2.95Å; A479-M483 WeakPolarHBondContact O-CB 3.25Å; A479-M483 PolarHBondContact O-N 2.94Å; A479-A492 WeakPolarHBondContact O-CB 3.26Å; A479-C495 HydrophobicContact CB-CB 3.47Å; A479-C495 VanDerWaalsContact CB-CB 3.47Å; A479-F496 HydrophobicContact CB-CD1 3.64Å; A479-F496 HydrophobicContact CB-CD2 3.87Å; A479-F496 HydrophobicContact CB-CE1 3.6Å; A479-F496 HydrophobicContact CB-CE2 3.83Å; A479-F496 HydrophobicContact CB-CG 3.76Å; A479-F496 HydrophobicContact CB-CZ 3.68Å
480	V	95.6	Very high	94	Very high	56 Å²	56	49.9 Å²	49.9	34%	0.339	24%	0.236	S	C	.	.	H	α-helix	trans	-59.6	-41.5	175.7	169.6	0	0	0	0	110.7	R476 S477 L478 M483 Y484 F496	R476-V480 WeakPolarHBondContact O-CG2 3.47Å; R476-V480 PolarHBondContact O-N 3.38Å; S477-V480 PolarHBondContact O-N 2.82Å; L478-V480 PolarHBondContact O-N 2.89Å; V480-M483 PolarHBondContact O-N 3.5Å; V480-Y484 HydrophobicContact CG1-CD2 3.62Å; V480-Y484 HydrophobicContact CG1-CE2 3.91Å; V480-Y484 WeakPolarHBondContact O-CD2 3.34Å; V480-Y484 PolarHBondContact O-N 3.36Å; V480-F496 HydrophobicContact CG2-CE1 4.38Å; V480-F496 HydrophobicContact CG2-CZ 4.19Å
481	T	94.5	Very high	94.3	Very high	19 Å²	19	48.1 Å²	48.1	12%	0.117	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-46.6	176.5	-54.8	0	0	0	0	111.7	R457 Y460 S477 L478 A479 M483 T485 D486	R457-T481 HydrophobicContact CB-CG2 4.31Å; Y460-T481 WeakPolarHBondContact CE2-OG1 3.41Å; S477-T481 PolarHBondContact O-N 3.11Å; S477-T481 PolarHBondContact O-OG1 3.21Å; L478-T481 WeakPolarHBondContact O-CB 3.26Å; L478-T481 PolarHBondContact O-N 3.28Å; A479-T481 VanDerWaalsContact C-N 3.29Å; A479-T481 PolarHBondContact O-N 2.99Å; T481-M483 VanDerWaalsContact C-N 3.3Å; T481-M483 PolarHBondContact O-N 2.89Å; T481-T485 WeakPolarHBondContact O-CA 3.46Å; T481-T485 WeakPolarHBondContact O-CB 3.46Å; T481-T485 PolarHBondContact O-N 2.84Å; T481-T485 PolarHBondContact O-OG1 3.14Å; T481-D486 PolarHBondContact O-N 2.98Å
482	Y	95.2	Very high	94.5	Very high	38 Å²	38	48 Å²	48	15%	0.149	23%	0.227	C	C	.	.	I	π-helix	trans	-61	-38.7	175.3	-77.5	-56.1	0	0	0	112.7	L478 A479 D486 K487 D488 K491	L478-Y482 HydrophobicContact CD1-CD2 4.41Å; L478-Y482 HydrophobicContact CD1-CE2 3.88Å; L478-Y482 HydrophobicContact CD2-CE2 3.94Å; L478-Y482 HydrophobicContact CG-CD2 4Å; L478-Y482 HydrophobicContact CG-CE2 3.59Å; L478-Y482 WeakPolarHBondContact O-CD2 3.25Å; L478-Y482 PolarHBondContact O-N 3.36Å; A479-Y482 PolarHBondContact O-N 2.95Å; Y482-D486 HydrophobicContact CD1-CB 4.38Å; Y482-D486 WeakPolarHBondContact CD1-OD2 3.32Å; Y482-D486 CarbonylContact O-C 3.09Å; Y482-D486 PolarHBondContact O-N 3.4Å; Y482-K487 PolarHBondContact O-N 3.3Å; Y482-D488 PolarHBondContact O-N 3.21Å; Y482-K491 HydrophobicContact CD1-CB 4.22Å; Y482-K491 HydrophobicContact CD1-CD 4.28Å; Y482-K491 HydrophobicContact CD2-CB 4.15Å; Y482-K491 HydrophobicContact CE1-CB 4.48Å; Y482-K491 HydrophobicContact CE1-CD 3.91Å; Y482-K491 HydrophobicContact CE2-CB 4.39Å; Y482-K491 HydrophobicContact CG-CB 4.06Å
483	M	94.9	Very high	94.8	Very high	22 Å²	22	47.9 Å²	47.9	11%	0.108	23%	0.226	C	C	.	.	I	π-helix	trans	-68.9	-49.1	-179.1	-178.5	178.6	171.1	0	0	112.6	A479 V480 T481 K487 Y489 A492 F496 T512 C515 C516	A479-M483 WeakPolarHBondContact O-CB 3.25Å; A479-M483 PolarHBondContact O-N 2.94Å; V480-M483 PolarHBondContact O-N 3.5Å; T481-M483 VanDerWaalsContact C-N 3.3Å; T481-M483 PolarHBondContact O-N 2.89Å; M483-K487 WeakPolarHBondContact O-CA 3.38Å; M483-Y489 HydrophobicContact CG-CD1 4.32Å; M483-Y489 HydrophobicContact CG-CE1 4.28Å; M483-A492 HydrophobicContact CB-CB 3.99Å; M483-F496 HydrophobicContact SD-CE2 4.22Å; M483-F496 HydrophobicContact SD-CZ 4.46Å; M483-T512 HydrophobicContact SD-CG2 4.01Å; M483-C515 HydrophobicContact CE-CB 4.47Å; M483-C516 HydrophobicContact CE-CB 4.33Å; M483-C516 HydrophobicContact SD-CB 3.86Å
484	Y	93.4	Very high	95	Very high	156 Å²	156	51 Å²	51	61%	0.612	24%	0.242	S	C	*	.	I	π-helix	trans	-89.9	-39.9	-173	-72.2	-72.6	0	0	0	113.8	V480	V480-Y484 HydrophobicContact CG1-CD2 3.62Å; V480-Y484 HydrophobicContact CG1-CE2 3.91Å; V480-Y484 WeakPolarHBondContact O-CD2 3.34Å; V480-Y484 PolarHBondContact O-N 3.36Å
485	T	91.4	Very high	95.1	Very high	101 Å²	101	51.6 Å²	51.6	62%	0.62	25%	0.246	S	C	*	.	I	π-helix	trans	-85.1	-53.4	-175.5	-52.2	0	0	0	0	111.2	T481	T481-T485 WeakPolarHBondContact O-CA 3.46Å; T481-T485 WeakPolarHBondContact O-CB 3.46Å; T481-T485 PolarHBondContact O-N 2.84Å; T481-T485 PolarHBondContact O-OG1 3.14Å
486	D	90.6	Very high	95.2	Very high	69 Å²	69	51.5 Å²	51.5	37%	0.369	25%	0.245	S	C	.	.	I	π-helix	trans	-87.8	-19.3	-174.2	-66.9	-14	0	0	0	112.4	R457 T481 Y482 D488	R457-D486 IonicContact NH1-OD1 3.63Å; R457-D486 IonicContact NH1-OD2 2.85Å; R457-D486 PolarHBondContact NH1-OD2 3.17Å; T481-D486 PolarHBondContact O-N 2.98Å; Y482-D486 HydrophobicContact CD1-CB 4.38Å; Y482-D486 WeakPolarHBondContact CD1-OD2 3.32Å; Y482-D486 CarbonylContact O-C 3.09Å; Y482-D486 PolarHBondContact O-N 3.4Å; D486-D488 HydrophobicContact CB-CB 4.12Å; D486-D488 PolarHBondContact O-N 3.46Å; D486-D488 VanDerWaalsContact O-N 3.17Å
487	K	92.9	Very high	95.4	Very high	143 Å²	143	51.9 Å²	51.9	62%	0.622	25%	0.249	S	C	*	.			trans	53	26.2	-168.4	-59.5	-177.5	178.9	179.8	0	112.8	Y482 M483 Y489	Y482-K487 PolarHBondContact O-N 3.3Å; M483-K487 WeakPolarHBondContact O-CA 3.38Å; K487-Y489 HydrophobicContact CB-CE2 4.32Å; K487-Y489 WeakPolarHBondContact O-CD2 3.39Å; K487-Y489 WeakPolarHBondContact O-CE2 3.47Å; K487-Y489 PolarHBondContact O-N 3.4Å
488	D	95.7	Very high	95.4	Very high	47 Å²	47	55.7 Å²	55.7	25%	0.251	26%	0.264	S	S	.	.			trans	-88.5	80.3	176.7	-169.4	-19.9	0	0	0	108.4	Y482 D486 Q490 K491 A492	Y482-D488 PolarHBondContact O-N 3.21Å; D486-D488 HydrophobicContact CB-CB 4.12Å; D486-D488 PolarHBondContact O-N 3.46Å; D486-D488 VanDerWaalsContact O-N 3.17Å; D488-Q490 PolarHBondContact O-N 2.95Å; D488-K491 PolarHBondContact O-N 2.64Å; D488-K491 PolarHBondContact OD1-N 3.2Å; D488-K491 VanDerWaalsContact OD2-CD 3.26Å; D488-K491 WeakPolarHBondContact OD2-CD 3.47Å; D488-K491 VanDerWaalsContact OD2-CE 3.26Å; D488-K491 WeakPolarHBondContact OD2-CE 3.39Å; D488-K491 WeakPolarHBondContact OD2-CG 3.49Å; D488-K491 IonicContact OD2-NZ 3.16Å; D488-K491 PolarHBondContact OD2-NZ 3.33Å; D488-A492 WeakPolarHBondContact O-CB 3.44Å; D488-A492 PolarHBondContact O-N 3.25Å
489	Y	97	Very high	95.5	Very high	55 Å²	55	55.3 Å²	55.3	22%	0.216	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-28.8	-175.8	-53.8	-68.7	0	0	0	112.6	M483 K487 A492 I493 Q519	M483-Y489 HydrophobicContact CG-CD1 4.32Å; M483-Y489 HydrophobicContact CG-CE1 4.28Å; K487-Y489 HydrophobicContact CB-CE2 4.32Å; K487-Y489 WeakPolarHBondContact O-CD2 3.39Å; K487-Y489 WeakPolarHBondContact O-CE2 3.47Å; K487-Y489 PolarHBondContact O-N 3.4Å; Y489-A492 PolarHBondContact O-N 3.44Å; Y489-I493 WeakPolarHBondContact O-CB 3.36Å; Y489-I493 WeakPolarHBondContact O-CD1 3.34Å; Y489-I493 WeakPolarHBondContact O-CG1 3.35Å; Y489-I493 PolarHBondContact O-N 3.45Å; Y489-Q519 HydrophobicContact CD1-CB 4.08Å; Y489-Q519 HydrophobicContact CD1-CG 3.84Å; Y489-Q519 HydrophobicContact CD2-CG 4.01Å; Y489-Q519 HydrophobicContact CE1-CB 3.97Å; Y489-Q519 HydrophobicContact CE1-CG 3.32Å; Y489-Q519 HydrophobicContact CE2-CG 3.52Å; Y489-Q519 HydrophobicContact CG-CB 4.45Å; Y489-Q519 HydrophobicContact CG-CG 4.16Å; Y489-Q519 WeakPolarHBondContact OH-CG 3.48Å
490	Q	96.4	Very high	95.5	Very high	94 Å²	94	55.7 Å²	55.7	44%	0.439	26%	0.264	S	S	.	.	H	α-helix	trans	-68.8	-46.8	-179	-168.2	63.6	21.7	0	0	111.3	D488 A492 I493 E494	D488-Q490 PolarHBondContact O-N 2.95Å; Q490-A492 VanDerWaalsContact C-N 3.33Å; Q490-I493 WeakPolarHBondContact O-CB 3.27Å; Q490-I493 PolarHBondContact O-N 2.83Å; Q490-E494 PolarHBondContact O-N 2.81Å; Q490-E494 VanDerWaalsContact O-N 3.16Å
491	K	95.3	Very high	95.5	Very high	93 Å²	93	60.5 Å²	60.5	40%	0.404	28%	0.282	S	S	.	.	H	α-helix	trans	-67.3	-35.8	174.2	-70.8	-172.3	-166.3	128.2	0	112.5	Y482 D488 I493 E494 C495	Y482-K491 HydrophobicContact CD1-CB 4.22Å; Y482-K491 HydrophobicContact CD1-CD 4.28Å; Y482-K491 HydrophobicContact CD2-CB 4.15Å; Y482-K491 HydrophobicContact CE1-CB 4.48Å; Y482-K491 HydrophobicContact CE1-CD 3.91Å; Y482-K491 HydrophobicContact CE2-CB 4.39Å; Y482-K491 HydrophobicContact CG-CB 4.06Å; D488-K491 PolarHBondContact O-N 2.64Å; D488-K491 PolarHBondContact OD1-N 3.2Å; D488-K491 VanDerWaalsContact OD2-CD 3.26Å; D488-K491 WeakPolarHBondContact OD2-CD 3.47Å; D488-K491 VanDerWaalsContact OD2-CE 3.26Å; D488-K491 WeakPolarHBondContact OD2-CE 3.39Å; D488-K491 WeakPolarHBondContact OD2-CG 3.49Å; D488-K491 IonicContact OD2-NZ 3.16Å; D488-K491 PolarHBondContact OD2-NZ 3.33Å; K491-I493 VanDerWaalsContact C-N 3.31Å; K491-I493 PolarHBondContact O-N 2.94Å; K491-E494 PolarHBondContact O-N 3.22Å; K491-C495 PolarHBondContact O-N 2.84Å; K491-C495 PolarHBondContact O-SG 3.48Å
492	A	97.1	Very high	95.4	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.4	-43.4	174.3	0	0	0	0	0	111.1	A479 M483 D488 Y489 Q490 C495 F496	A479-A492 WeakPolarHBondContact O-CB 3.26Å; M483-A492 HydrophobicContact CB-CB 3.99Å; D488-A492 WeakPolarHBondContact O-CB 3.44Å; D488-A492 PolarHBondContact O-N 3.25Å; Y489-A492 PolarHBondContact O-N 3.44Å; Q490-A492 VanDerWaalsContact C-N 3.33Å; A492-C495 PolarHBondContact O-N 2.85Å; A492-F496 HydrophobicContact CB-CD2 4.41Å; A492-F496 HydrophobicContact CB-CE2 4.25Å; A492-F496 WeakPolarHBondContact O-CB 3.42Å; A492-F496 WeakPolarHBondContact O-CD2 3.4Å; A492-F496 WeakPolarHBondContact O-CG 3.45Å; A492-F496 PolarHBondContact O-N 3.45Å
493	I	97.9	Very high	95.4	Very high	1 Å²	1	60 Å²	60	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-57.3	-49.3	174.5	-76.7	165.8	0	0	0	111.1	Y489 Q490 K491 C495 F496 E497 F513 A520 E522	Y489-I493 WeakPolarHBondContact O-CB 3.36Å; Y489-I493 WeakPolarHBondContact O-CD1 3.34Å; Y489-I493 WeakPolarHBondContact O-CG1 3.35Å; Y489-I493 PolarHBondContact O-N 3.45Å; Q490-I493 WeakPolarHBondContact O-CB 3.27Å; Q490-I493 PolarHBondContact O-N 2.83Å; K491-I493 VanDerWaalsContact C-N 3.31Å; K491-I493 PolarHBondContact O-N 2.94Å; I493-C495 VanDerWaalsContact C-N 3.28Å; I493-C495 PolarHBondContact O-N 2.95Å; I493-F496 PolarHBondContact O-N 2.82Å; I493-E497 HydrophobicContact CG2-CG 4.45Å; I493-E497 WeakPolarHBondContact O-CG 3.32Å; I493-E497 PolarHBondContact O-N 2.97Å; I493-F513 HydrophobicContact CB-CE2 4.32Å; I493-F513 HydrophobicContact CG1-CE2 4.18Å; I493-F513 HydrophobicContact CG2-CE2 4.05Å; I493-A520 HydrophobicContact CD1-CB 3.58Å; I493-E522 HydrophobicContact CD1-CG 4.36Å
494	E	96.8	Very high	95.4	Very high	95 Å²	95	62.2 Å²	62.2	44%	0.444	30%	0.296	S	S	.	.	H	α-helix	trans	-59.1	-39.3	178.4	-68.7	174.9	-165.9	0	0	112.4	Q490 K491 K498	Q490-E494 PolarHBondContact O-N 2.81Å; Q490-E494 VanDerWaalsContact O-N 3.16Å; K491-E494 PolarHBondContact O-N 3.22Å; E494-K498 WeakPolarHBondContact O-CG 3.38Å; E494-K498 PolarHBondContact O-N 2.81Å
495	C	96.6	Very high	95.4	Very high	12 Å²	12	55.2 Å²	55.2	8%	0.081	27%	0.269	C	S	.	.	H	α-helix	trans	-71.6	-40	177.8	-63.2	0	0	0	0	111.9	I475 A479 K491 A492 I493 K498 S499	I475-C495 HydrophobicContact CD1-CB 4.02Å; I475-C495 HydrophobicContact CG1-CB 4.07Å; I475-C495 WeakPolarHBondContact CG1-O 3.25Å; A479-C495 HydrophobicContact CB-CB 3.47Å; A479-C495 VanDerWaalsContact CB-CB 3.47Å; K491-C495 PolarHBondContact O-N 2.84Å; K491-C495 PolarHBondContact O-SG 3.48Å; A492-C495 PolarHBondContact O-N 2.85Å; I493-C495 VanDerWaalsContact C-N 3.28Å; I493-C495 PolarHBondContact O-N 2.95Å; C495-K498 PolarHBondContact O-N 3.26Å; C495-S499 PolarHBondContact O-N 3.24Å
496	F	98	Very high	95.5	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.009	24%	0.241	C	C	.	.	H	α-helix	trans	-64.5	-42.2	174.9	-78.1	-54.3	0	0	0	112	A479 V480 M483 A492 I493 K498 S499 L500 V509 T512 F513 C516	A479-F496 HydrophobicContact CB-CD1 3.64Å; A479-F496 HydrophobicContact CB-CD2 3.87Å; A479-F496 HydrophobicContact CB-CE1 3.6Å; A479-F496 HydrophobicContact CB-CE2 3.83Å; A479-F496 HydrophobicContact CB-CG 3.76Å; A479-F496 HydrophobicContact CB-CZ 3.68Å; V480-F496 HydrophobicContact CG2-CE1 4.38Å; V480-F496 HydrophobicContact CG2-CZ 4.19Å; M483-F496 HydrophobicContact SD-CE2 4.22Å; M483-F496 HydrophobicContact SD-CZ 4.46Å; A492-F496 HydrophobicContact CB-CD2 4.41Å; A492-F496 HydrophobicContact CB-CE2 4.25Å; A492-F496 WeakPolarHBondContact O-CB 3.42Å; A492-F496 WeakPolarHBondContact O-CD2 3.4Å; A492-F496 WeakPolarHBondContact O-CG 3.45Å; A492-F496 PolarHBondContact O-N 3.45Å; I493-F496 PolarHBondContact O-N 2.82Å; F496-K498 PolarHBondContact O-N 3.06Å; F496-S499 WeakPolarHBondContact O-CB 3.34Å; F496-S499 PolarHBondContact O-N 3.23Å; F496-L500 WeakPolarHBondContact O-CB 3.33Å; F496-L500 VanDerWaalsContact O-CG 3.27Å; F496-L500 WeakPolarHBondContact O-CG 3.23Å; F496-L500 PolarHBondContact O-N 3.37Å; F496-V509 HydrophobicContact CD1-CG1 3.82Å; F496-V509 HydrophobicContact CE1-CG1 4.28Å; F496-T512 HydrophobicContact CE1-CG2 4.16Å; F496-T512 HydrophobicContact CE2-CG2 4.4Å; F496-T512 HydrophobicContact CZ-CG2 3.61Å; F496-F513 HydrophobicContact CB-CB 3.97Å; F496-F513 HydrophobicContact CB-CD2 3.3Å; F496-F513 HydrophobicContact CB-CE2 3.98Å; F496-F513 HydrophobicContact CB-CG 3.85Å; F496-F513 HydrophobicContact CD1-CB 4.33Å; F496-F513 HydrophobicContact CD2-CB 4.33Å; F496-F513 AromaticContact CD2-CD2 3.99Å; F496-F513 HydrophobicContact CD2-CD2 3.99Å; F496-F513 HydrophobicContact CG-CB 3.98Å; F496-F513 AromaticContact CG-CD2 3.9Å; F496-F513 HydrophobicContact CG-CD2 3.9Å; F496-F513 HydrophobicContact CG-CG 4.33Å; F496-C516 HydrophobicContact CD2-CB 4.18Å; F496-C516 HydrophobicContact CE2-CB 3.94Å
497	E	97.3	Very high	95.7	Very high	60 Å²	60	47.9 Å²	47.9	28%	0.28	23%	0.226	S	C	.	.	H	α-helix	trans	-58.6	-48.2	175.9	-74.5	176.7	158.6	0	0	110.5	I493 S499 L500 E501 F513 K525	I493-E497 HydrophobicContact CG2-CG 4.45Å; I493-E497 WeakPolarHBondContact O-CG 3.32Å; I493-E497 PolarHBondContact O-N 2.97Å; E497-S499 PolarHBondContact O-N 2.75Å; E497-L500 PolarHBondContact O-N 3.08Å; E497-L500 VanDerWaalsContact O-N 3.12Å; E497-E501 WeakPolarHBondContact O-CG 3.47Å; E497-E501 PolarHBondContact O-N 3.45Å; E497-F513 HydrophobicContact CG-CE2 3.94Å; E497-F513 HydrophobicContact CG-CZ 3.68Å; E497-K525 WeakPolarHBondContact OE1-CE 3.32Å; E497-K525 IonicContact OE1-NZ 3.57Å; E497-K525 PolarHBondContact OE1-NZ 3.08Å; E497-K525 IonicContact OE2-NZ 2.7Å
498	K	96.2	Very high	95.7	Very high	99 Å²	99	47.1 Å²	47.1	43%	0.43	23%	0.229	S	C	.	.	H	α-helix	trans	-59.6	-42.3	174.1	-72.4	176.2	-176.8	176.9	0	113.2	I475 E494 C495 F496 L500 E501 I502	I475-K498 HydrophobicContact CG1-CB 4.03Å; E494-K498 WeakPolarHBondContact O-CG 3.38Å; E494-K498 PolarHBondContact O-N 2.81Å; C495-K498 PolarHBondContact O-N 3.26Å; F496-K498 PolarHBondContact O-N 3.06Å; K498-L500 PolarHBondContact O-N 3.21Å; K498-E501 PolarHBondContact O-N 3.49Å; K498-I502 WeakPolarHBondContact O-CG1 3.39Å; K498-I502 PolarHBondContact O-N 3.39Å
499	S	96.1	Very high	95.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.1	-42.3	175.3	-179.2	0	0	0	0	111.8	A472 C495 F496 E497 N503 Q506	A472-S499 PolarHBondContact O-OG 3.49Å; C495-S499 PolarHBondContact O-N 3.24Å; F496-S499 WeakPolarHBondContact O-CB 3.34Å; F496-S499 PolarHBondContact O-N 3.23Å; E497-S499 PolarHBondContact O-N 2.75Å; S499-N503 PolarHBondContact O-N 3.33Å; S499-Q506 PolarHBondContact O-NE2 3.45Å; S499-Q506 PolarHBondContact OG-NE2 3.28Å
500	L	96	Very high	95.7	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-82.7	-25.2	-174.2	-68.1	167.9	0	0	0	112.3	F496 E497 K498 I502 N503 T504 Q506 V509 W510 F513	F496-L500 WeakPolarHBondContact O-CB 3.33Å; F496-L500 VanDerWaalsContact O-CG 3.27Å; F496-L500 WeakPolarHBondContact O-CG 3.23Å; F496-L500 PolarHBondContact O-N 3.37Å; E497-L500 PolarHBondContact O-N 3.08Å; E497-L500 VanDerWaalsContact O-N 3.12Å; K498-L500 PolarHBondContact O-N 3.21Å; L500-I502 VanDerWaalsContact C-N 3.31Å; L500-N503 CarbonylContact O-C 3.55Å; L500-T504 WeakPolarHBondContact O-CG2 3.42Å; L500-T504 PolarHBondContact O-N 3.37Å; L500-Q506 HydrophobicContact CD2-CB 4.48Å; L500-V509 HydrophobicContact CD1-CG1 4.33Å; L500-V509 HydrophobicContact CD2-CB 4.11Å; L500-V509 HydrophobicContact CD2-CG1 3.77Å; L500-V509 HydrophobicContact CG-CG1 3.97Å; L500-W510 HydrophobicContact CB-CH2 4.19Å; L500-W510 HydrophobicContact CB-CZ2 4.11Å; L500-W510 HydrophobicContact CD1-CD2 3.87Å; L500-W510 HydrophobicContact CD1-CE3 3.59Å; L500-W510 HydrophobicContact CD1-CH2 3.93Å; L500-W510 HydrophobicContact CD1-CZ2 4.19Å; L500-W510 HydrophobicContact CD1-CZ3 3.64Å; L500-W510 HydrophobicContact CD2-CD2 3.82Å; L500-W510 HydrophobicContact CD2-CE3 4.41Å; L500-W510 HydrophobicContact CD2-CG 4.06Å; L500-W510 HydrophobicContact CD2-CZ2 3.99Å; L500-W510 HydrophobicContact CG-CD2 4.43Å; L500-W510 HydrophobicContact CG-CH2 4.46Å; L500-W510 HydrophobicContact CG-CZ2 4.32Å; L500-F513 HydrophobicContact CD1-CB 4.12Å; L500-F513 HydrophobicContact CD1-CD1 3.64Å; L500-F513 HydrophobicContact CD1-CE1 4.28Å; L500-F513 HydrophobicContact CD1-CG 3.98Å
501	E	95.4	Very high	95.7	Very high	157 Å²	157	42 Å²	42	73%	0.734	20%	0.204	S	C	*	.	H	α-helix	trans	-62.9	-38.3	167.1	-76.7	173.6	-178.4	0	0	111.7	E497 K498	E497-E501 WeakPolarHBondContact O-CG 3.47Å; E497-E501 PolarHBondContact O-N 3.45Å; K498-E501 PolarHBondContact O-N 3.49Å
502	I	94.2	Very high	95.8	Very high	38 Å²	38	39.1 Å²	39.1	20%	0.195	19%	0.194	C	C	.	.	H	α-helix	trans	-74.2	-54.3	177.1	-63.2	165.1	0	0	0	110.8	E87 W464 K470 A472 I475 K498 L500	E87-I502 HydrophobicContact CB-CG2 3.8Å; E87-I502 HydrophobicContact CG-CG2 4.07Å; E87-I502 WeakPolarHBondContact CG-O 3.38Å; W464-I502 HydrophobicContact CH2-CD1 3.63Å; W464-I502 HydrophobicContact CZ3-CD1 3.57Å; K470-I502 WeakPolarHBondContact O-CG2 3.5Å; A472-I502 HydrophobicContact CB-CB 4.31Å; A472-I502 HydrophobicContact CB-CG2 3.97Å; I475-I502 HydrophobicContact CG2-CD1 4.33Å; K498-I502 WeakPolarHBondContact O-CG1 3.39Å; K498-I502 PolarHBondContact O-N 3.39Å; L500-I502 VanDerWaalsContact C-N 3.31Å
503	N	94.2	Very high	95.8	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.043	20%	0.197	C	C	.	.			trans	-132.7	105.7	-179.1	-174.8	-6.7	0	0	0	111.5	E87 R141 P143 A472 S499 L500 L505 Q506	E87-N503 HydrophobicContact CB-CB 4.46Å; E87-N503 HydrophobicContact CG-CB 4.3Å; R141-N503 PolarHBondContact O-ND2 3.29Å; R141-N503 PolarHBondContact O-OD1 3.36Å; P143-N503 WeakPolarHBondContact CD-OD1 3.46Å; P143-N503 HydrophobicContact CG-CB 4.45Å; P143-N503 WeakPolarHBondContact CG-OD1 3.4Å; A472-N503 HydrophobicContact CB-CB 4.04Å; S499-N503 PolarHBondContact O-N 3.33Å; L500-N503 CarbonylContact O-C 3.55Å; N503-L505 VanDerWaalsContact C-N 3.35Å; N503-L505 PolarHBondContact OD1-N 3.12Å; N503-Q506 HydrophobicContact CB-CG 4.19Å; N503-Q506 PolarHBondContact O-NE2 3.3Å
504	T	94.3	Very high	95.8	Very high	68 Å²	68	39.6 Å²	39.6	42%	0.417	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-11.8	-179.8	58.2	0	0	0	0	113.9	L500 Q506 W510	L500-T504 WeakPolarHBondContact O-CG2 3.42Å; L500-T504 PolarHBondContact O-N 3.37Å; T504-Q506 VanDerWaalsContact C-N 3.27Å; T504-Q506 PolarHBondContact O-N 3.03Å; T504-W510 PolarHBondContact O-NE1 2.85Å
505	L	94.7	Very high	95.8	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.052	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	22.9	-175	-60.2	174.7	0	0	0	113	R141 P143 K146 Y183 Y184 N503 L536	R141-L505 HydrophobicContact CB-CB 3.75Å; R141-L505 HydrophobicContact CB-CD1 3.8Å; R141-L505 HydrophobicContact CB-CG 4.44Å; P143-L505 HydrophobicContact CG-CD1 4.27Å; P143-L505 HydrophobicContact CG-CG 4.34Å; K146-L505 HydrophobicContact CB-CD1 4.37Å; K146-L505 HydrophobicContact CD-CD1 3.9Å; K146-L505 HydrophobicContact CD-CD2 4.28Å; Y183-L505 HydrophobicContact CD1-CD1 4.08Å; Y184-L505 HydrophobicContact CD2-CD2 4.47Å; N503-L505 VanDerWaalsContact C-N 3.35Å; N503-L505 PolarHBondContact OD1-N 3.12Å; L505-L536 HydrophobicContact CD2-CD2 4.01Å
506	Q	93.7	Very high	95.8	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.037	18%	0.183	C	C	.	.			trans	-99.9	86.1	-178.9	-63.2	-178.9	88.2	0	0	111.9	S499 L500 N503 T504 N508 V509 W510	S499-Q506 PolarHBondContact O-NE2 3.45Å; S499-Q506 PolarHBondContact OG-NE2 3.28Å; L500-Q506 HydrophobicContact CD2-CB 4.48Å; N503-Q506 HydrophobicContact CB-CG 4.19Å; N503-Q506 PolarHBondContact O-NE2 3.3Å; T504-Q506 VanDerWaalsContact C-N 3.27Å; T504-Q506 PolarHBondContact O-N 3.03Å; Q506-N508 PolarHBondContact O-N 3.41Å; Q506-V509 HydrophobicContact CB-CB 3.74Å; Q506-V509 HydrophobicContact CB-CG2 3.74Å; Q506-V509 HydrophobicContact CG-CG2 4.39Å; Q506-V509 PolarHBondContact O-N 3.25Å; Q506-V509 VanDerWaalsContact O-N 3.16Å; Q506-W510 VanDerWaalsContact O-CD1 3.24Å; Q506-W510 PolarHBondContact O-N 3.44Å
507	V	93.2	Very high	95.8	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.042	18%	0.183	C	C	.	.	H	α-helix	trans	-56	-48.6	-177.1	179.1	0	0	0	0	112.7	Y184 V509 W510 F511 L536 D537	Y184-V507 HydrophobicContact CE1-CG2 4.25Å; Y184-V507 HydrophobicContact CE2-CG2 3.8Å; Y184-V507 WeakPolarHBondContact OH-CG2 3.27Å; V507-V509 VanDerWaalsContact C-N 3.25Å; V507-V509 PolarHBondContact O-N 3.42Å; V507-W510 WeakPolarHBondContact O-CB 3.48Å; V507-W510 PolarHBondContact O-N 2.78Å; V507-F511 PolarHBondContact O-N 2.66Å; V507-L536 HydrophobicContact CG2-CB 3.63Å; V507-L536 HydrophobicContact CG2-CD1 4.07Å; V507-D537 HydrophobicContact CG1-CB 3.63Å; V507-D537 HydrophobicContact CG2-CB 4.22Å
508	N	93.8	Very high	95.7	Very high	128 Å²	128	35 Å²	35	68%	0.684	18%	0.179	S	C	*	.	H	α-helix	trans	-64	-31.7	-178.9	-66.1	-14.5	0	0	0	112.6	Q506 T512	Q506-N508 PolarHBondContact O-N 3.41Å; N508-T512 WeakPolarHBondContact O-CB 3.39Å; N508-T512 PolarHBondContact O-N 2.85Å; N508-T512 PolarHBondContact O-OG1 2.91Å
509	V	95.9	Very high	95.6	Very high	11 Å²	11	35.8 Å²	35.8	7%	0.067	18%	0.183	C	C	.	.	H	α-helix	trans	-73.1	-42.5	177	-178.9	0	0	0	0	110.2	R476 F496 L500 Q506 V507 F511 T512 F513	R476-V509 HydrophobicContact CB-CG2 4.38Å; F496-V509 HydrophobicContact CD1-CG1 3.82Å; F496-V509 HydrophobicContact CE1-CG1 4.28Å; L500-V509 HydrophobicContact CD1-CG1 4.33Å; L500-V509 HydrophobicContact CD2-CB 4.11Å; L500-V509 HydrophobicContact CD2-CG1 3.77Å; L500-V509 HydrophobicContact CG-CG1 3.97Å; Q506-V509 HydrophobicContact CB-CB 3.74Å; Q506-V509 HydrophobicContact CB-CG2 3.74Å; Q506-V509 HydrophobicContact CG-CG2 4.39Å; Q506-V509 PolarHBondContact O-N 3.25Å; Q506-V509 VanDerWaalsContact O-N 3.16Å; V507-V509 VanDerWaalsContact C-N 3.25Å; V507-V509 PolarHBondContact O-N 3.42Å; V509-F511 VanDerWaalsContact C-N 3.29Å; V509-F511 PolarHBondContact O-N 2.85Å; V509-T512 PolarHBondContact O-N 3.39Å; V509-F513 WeakPolarHBondContact O-CB 3.4Å; V509-F513 PolarHBondContact O-N 2.83Å
510	W	97.3	Very high	95.6	Very high	35 Å²	35	37.2 Å²	37.2	13%	0.133	20%	0.195	C	C	.	.	H	α-helix	trans	-56.5	-43.3	172	-78.3	114.8	0	0	0	112.4	L500 T504 Q506 V507 F513 G514 A529 C533	L500-W510 HydrophobicContact CB-CH2 4.19Å; L500-W510 HydrophobicContact CB-CZ2 4.11Å; L500-W510 HydrophobicContact CD1-CD2 3.87Å; L500-W510 HydrophobicContact CD1-CE3 3.59Å; L500-W510 HydrophobicContact CD1-CH2 3.93Å; L500-W510 HydrophobicContact CD1-CZ2 4.19Å; L500-W510 HydrophobicContact CD1-CZ3 3.64Å; L500-W510 HydrophobicContact CD2-CD2 3.82Å; L500-W510 HydrophobicContact CD2-CE3 4.41Å; L500-W510 HydrophobicContact CD2-CG 4.06Å; L500-W510 HydrophobicContact CD2-CZ2 3.99Å; L500-W510 HydrophobicContact CG-CD2 4.43Å; L500-W510 HydrophobicContact CG-CH2 4.46Å; L500-W510 HydrophobicContact CG-CZ2 4.32Å; T504-W510 PolarHBondContact O-NE1 2.85Å; Q506-W510 VanDerWaalsContact O-CD1 3.24Å; Q506-W510 PolarHBondContact O-N 3.44Å; V507-W510 WeakPolarHBondContact O-CB 3.48Å; V507-W510 PolarHBondContact O-N 2.78Å; W510-F513 AromaticContact CE3-CD1 4Å; W510-F513 HydrophobicContact CE3-CD1 4Å; W510-F513 HydrophobicContact CZ3-CD1 4.03Å; W510-F513 HydrophobicContact CZ3-CE1 4.16Å; W510-G514 PolarHBondContact O-N 3.15Å; W510-A529 HydrophobicContact CE3-CB 4.05Å; W510-A529 HydrophobicContact CZ3-CB 4.48Å; W510-C533 HydrophobicContact CB-CB 4.06Å
511	F	96.8	Very high	95.6	Very high	41 Å²	41	44.4 Å²	44.4	18%	0.18	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-50.5	176.7	-175.8	-96.7	0	0	0	112	V507 V509 F513 G514 C515 F530 E542 A543	V507-F511 PolarHBondContact O-N 2.66Å; V509-F511 VanDerWaalsContact C-N 3.29Å; V509-F511 PolarHBondContact O-N 2.85Å; F511-F513 VanDerWaalsContact C-N 3.34Å; F511-F513 PolarHBondContact O-N 3.36Å; F511-G514 PolarHBondContact O-N 3.12Å; F511-C515 PolarHBondContact O-N 3.43Å; F511-C515 PolarHBondContact O-SG 3.23Å; F511-C515 VanDerWaalsContact O-SG 3.41Å; F511-F530 HydrophobicContact CD2-CD1 4.2Å; F511-F530 AromaticContact CD2-CE1 3.87Å; F511-F530 HydrophobicContact CD2-CE1 3.87Å; F511-F530 HydrophobicContact CE2-CE1 4.13Å; F511-F530 HydrophobicContact CG-CE1 4.47Å; F511-E542 HydrophobicContact CE2-CB 3.72Å; F511-E542 HydrophobicContact CZ-CB 3.91Å; F511-A543 HydrophobicContact CD2-CB 4.03Å; F511-A543 HydrophobicContact CE2-CB 4.37Å
512	T	96.6	Very high	95.6	Very high	34 Å²	34	40.5 Å²	40.5	21%	0.209	21%	0.208	C	C	.	.	H	α-helix	trans	-63.9	-40.4	-179.9	-51.7	0	0	0	0	111.6	M483 F496 N508 V509 C515 C516	M483-T512 HydrophobicContact SD-CG2 4.01Å; F496-T512 HydrophobicContact CE1-CG2 4.16Å; F496-T512 HydrophobicContact CE2-CG2 4.4Å; F496-T512 HydrophobicContact CZ-CG2 3.61Å; N508-T512 WeakPolarHBondContact O-CB 3.39Å; N508-T512 PolarHBondContact O-N 2.85Å; N508-T512 PolarHBondContact O-OG1 2.91Å; V509-T512 PolarHBondContact O-N 3.39Å; T512-C515 PolarHBondContact O-N 3.36Å; T512-C516 WeakPolarHBondContact O-CB 3.16Å; T512-C516 PolarHBondContact O-N 3.41Å
513	F	97.7	Very high	95.7	Very high	11 Å²	11	41.4 Å²	41.4	5%	0.048	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-43.4	173.4	174.6	-128.1	0	0	0	111.7	I493 F496 E497 L500 V509 W510 F511 C516 C517 A529	I493-F513 HydrophobicContact CB-CE2 4.32Å; I493-F513 HydrophobicContact CG1-CE2 4.18Å; I493-F513 HydrophobicContact CG2-CE2 4.05Å; F496-F513 HydrophobicContact CB-CB 3.97Å; F496-F513 HydrophobicContact CB-CD2 3.3Å; F496-F513 HydrophobicContact CB-CE2 3.98Å; F496-F513 HydrophobicContact CB-CG 3.85Å; F496-F513 HydrophobicContact CD1-CB 4.33Å; F496-F513 HydrophobicContact CD2-CB 4.33Å; F496-F513 AromaticContact CD2-CD2 3.99Å; F496-F513 HydrophobicContact CD2-CD2 3.99Å; F496-F513 HydrophobicContact CG-CB 3.98Å; F496-F513 AromaticContact CG-CD2 3.9Å; F496-F513 HydrophobicContact CG-CD2 3.9Å; F496-F513 HydrophobicContact CG-CG 4.33Å; E497-F513 HydrophobicContact CG-CE2 3.94Å; E497-F513 HydrophobicContact CG-CZ 3.68Å; L500-F513 HydrophobicContact CD1-CB 4.12Å; L500-F513 HydrophobicContact CD1-CD1 3.64Å; L500-F513 HydrophobicContact CD1-CE1 4.28Å; L500-F513 HydrophobicContact CD1-CG 3.98Å; V509-F513 WeakPolarHBondContact O-CB 3.4Å; V509-F513 PolarHBondContact O-N 2.83Å; W510-F513 AromaticContact CE3-CD1 4Å; W510-F513 HydrophobicContact CE3-CD1 4Å; W510-F513 HydrophobicContact CZ3-CD1 4.03Å; W510-F513 HydrophobicContact CZ3-CE1 4.16Å; F511-F513 VanDerWaalsContact C-N 3.34Å; F511-F513 PolarHBondContact O-N 3.36Å; F513-C516 WeakPolarHBondContact O-CB 3.41Å; F513-C516 PolarHBondContact O-N 3.12Å; F513-C517 WeakPolarHBondContact CE2-SG 3.39Å; F513-C517 PolarHBondContact O-N 2.93Å; F513-C517 PolarHBondContact O-SG 3.01Å; F513-A529 HydrophobicContact CD1-CB 3.5Å; F513-A529 HydrophobicContact CE1-CB 3.93Å; F513-A529 HydrophobicContact CG-CB 4.38Å
514	G	97	Very high	95.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.8	-44	174.8	0	0	0	0	0	112.6	W510 F511 C517 L518	W510-G514 PolarHBondContact O-N 3.15Å; F511-G514 PolarHBondContact O-N 3.12Å; G514-C517 PolarHBondContact O-N 2.83Å; G514-L518 PolarHBondContact O-N 3.02Å
515	C	96.6	Very high	95.9	Very high	36 Å²	36	45 Å²	45	24%	0.243	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-41.9	174.8	-68.8	0	0	0	0	112	M483 F511 T512 L518 Q519	M483-C515 HydrophobicContact CE-CB 4.47Å; F511-C515 PolarHBondContact O-N 3.43Å; F511-C515 PolarHBondContact O-SG 3.23Å; F511-C515 VanDerWaalsContact O-SG 3.41Å; T512-C515 PolarHBondContact O-N 3.36Å; C515-L518 PolarHBondContact O-N 2.9Å; C515-Q519 PolarHBondContact O-N 2.88Å; C515-Q519 VanDerWaalsContact O-N 3.11Å
516	C	97.3	Very high	96	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-46.2	174.4	-171.1	0	0	0	0	111.5	M483 F496 T512 F513 L518 Q519 A520	M483-C516 HydrophobicContact CE-CB 4.33Å; M483-C516 HydrophobicContact SD-CB 3.86Å; F496-C516 HydrophobicContact CD2-CB 4.18Å; F496-C516 HydrophobicContact CE2-CB 3.94Å; T512-C516 WeakPolarHBondContact O-CB 3.16Å; T512-C516 PolarHBondContact O-N 3.41Å; F513-C516 WeakPolarHBondContact O-CB 3.41Å; F513-C516 PolarHBondContact O-N 3.12Å; C516-L518 PolarHBondContact O-N 3.29Å; C516-Q519 PolarHBondContact O-N 3.11Å; C516-A520 PolarHBondContact O-N 3.35Å
517	C	97.5	Very high	96.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-40.1	176.6	-68.9	0	0	0	0	112.7	F513 G514 Q519 A520 K521 E522 K525 A526	F513-C517 WeakPolarHBondContact CE2-SG 3.39Å; F513-C517 PolarHBondContact O-N 2.93Å; F513-C517 PolarHBondContact O-SG 3.01Å; G514-C517 PolarHBondContact O-N 2.83Å; C517-Q519 VanDerWaalsContact C-N 3.32Å; C517-Q519 PolarHBondContact O-N 3.13Å; C517-A520 CarbonylContact O-C 3.49Å; C517-A520 PolarHBondContact O-N 3.34Å; C517-K521 PolarHBondContact O-N 3.46Å; C517-K521 VanDerWaalsContact O-N 3.07Å; C517-E522 HydrophobicContact CB-CB 4.26Å; C517-E522 PolarHBondContact O-N 2.71Å; C517-K525 HydrophobicContact CB-CB 4.25Å; C517-A526 HydrophobicContact CB-CB 3.71Å
518	L	95.5	Very high	96.3	Very high	37 Å²	37	48.3 Å²	48.3	19%	0.194	25%	0.245	C	C	.	.	H	α-helix	trans	-59.7	-44.4	174.5	-77.8	178.7	0	0	0	111.5	G514 C515 C516 A520 K521 F523 A526 F530 N546 A550	G514-L518 PolarHBondContact O-N 3.02Å; C515-L518 PolarHBondContact O-N 2.9Å; C516-L518 PolarHBondContact O-N 3.29Å; L518-A520 VanDerWaalsContact C-N 3.31Å; L518-A520 PolarHBondContact O-N 3.42Å; L518-K521 PolarHBondContact O-N 2.75Å; L518-F523 HydrophobicContact CD2-CD1 4.04Å; L518-F523 HydrophobicContact CD2-CE1 4.48Å; L518-A526 HydrophobicContact CD2-CB 3.78Å; L518-A526 HydrophobicContact CG-CB 3.85Å; L518-F530 HydrophobicContact CD1-CE2 3.66Å; L518-F530 HydrophobicContact CD1-CZ 3.96Å; L518-F530 HydrophobicContact CG-CE2 3.98Å; L518-N546 HydrophobicContact CD1-CB 4.31Å; L518-A550 HydrophobicContact CD2-CB 3.92Å
519	Q	94.9	Very high	96.4	Very high	114 Å²	114	42.3 Å²	42.3	53%	0.533	21%	0.213	S	C	.	.	H	α-helix	trans	-68.4	-32.5	179.7	-170.8	58.6	34.2	0	0	112.3	Y489 C515 C516 C517 K521	Y489-Q519 HydrophobicContact CD1-CB 4.08Å; Y489-Q519 HydrophobicContact CD1-CG 3.84Å; Y489-Q519 HydrophobicContact CD2-CG 4.01Å; Y489-Q519 HydrophobicContact CE1-CB 3.97Å; Y489-Q519 HydrophobicContact CE1-CG 3.32Å; Y489-Q519 HydrophobicContact CE2-CG 3.52Å; Y489-Q519 HydrophobicContact CG-CB 4.45Å; Y489-Q519 HydrophobicContact CG-CG 4.16Å; Y489-Q519 WeakPolarHBondContact OH-CG 3.48Å; C515-Q519 PolarHBondContact O-N 2.88Å; C515-Q519 VanDerWaalsContact O-N 3.11Å; C516-Q519 PolarHBondContact O-N 3.11Å; C517-Q519 VanDerWaalsContact C-N 3.32Å; C517-Q519 PolarHBondContact O-N 3.13Å; Q519-K521 PolarHBondContact O-N 3.33Å
520	A	95.6	Very high	96.5	Very high	30 Å²	30	41.8 Å²	41.8	25%	0.248	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-5.9	170.2	0	0	0	0	0	114.1	I493 C516 C517 L518 E522	I493-A520 HydrophobicContact CD1-CB 3.58Å; C516-A520 PolarHBondContact O-N 3.35Å; C517-A520 CarbonylContact O-C 3.49Å; C517-A520 PolarHBondContact O-N 3.34Å; L518-A520 VanDerWaalsContact C-N 3.31Å; L518-A520 PolarHBondContact O-N 3.42Å; A520-E522 HydrophobicContact CB-CG 4.16Å; A520-E522 PolarHBondContact O-N 3.17Å
521	K	95.2	Very high	96.4	Very high	159 Å²	159	45.3 Å²	45.3	69%	0.691	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	22.2	-172.7	-53.3	179.4	-179.7	178.7	0	114.3	C517 L518 Q519 F523	C517-K521 PolarHBondContact O-N 3.46Å; C517-K521 VanDerWaalsContact O-N 3.07Å; L518-K521 PolarHBondContact O-N 2.75Å; Q519-K521 PolarHBondContact O-N 3.33Å; K521-F523 VanDerWaalsContact C-N 3.31Å; K521-F523 HydrophobicContact CB-CE1 4.42Å; K521-F523 HydrophobicContact CB-CE2 3.98Å; K521-F523 HydrophobicContact CB-CZ 3.73Å; K521-F523 HydrophobicContact CG-CZ 4.11Å; K521-F523 VanDerWaalsContact O-CD2 3.3Å; K521-F523 WeakPolarHBondContact O-CD2 3.48Å; K521-F523 WeakPolarHBondContact O-CE2 3.25Å; K521-F523 PolarHBondContact O-N 3.42Å; K521-F523 VanDerWaalsContact O-N 3.15Å
522	E	96	Very high	96.3	Very high	75 Å²	75	44 Å²	44	35%	0.35	22%	0.219	S	C	.	.			trans	-86.7	67.5	174.4	-72.4	-72.1	179.4	0	0	110.1	I493 C517 A520 V524 K525 A526	I493-E522 HydrophobicContact CD1-CG 4.36Å; C517-E522 HydrophobicContact CB-CB 4.26Å; C517-E522 PolarHBondContact O-N 2.71Å; A520-E522 HydrophobicContact CB-CG 4.16Å; A520-E522 PolarHBondContact O-N 3.17Å; E522-V524 VanDerWaalsContact C-N 3.3Å; E522-V524 PolarHBondContact O-N 2.71Å; E522-K525 HydrophobicContact CB-CB 4.31Å; E522-K525 PolarHBondContact O-N 3.02Å; E522-A526 PolarHBondContact O-N 3.08Å
523	F	96	Very high	96.2	Very high	57 Å²	57	42.4 Å²	42.4	25%	0.25	21%	0.209	C	C	.	.	H	α-helix	trans	-64	-29.6	-168	-54.4	-63.5	0	0	0	114.5	L518 K521 E527 I553 Q554	L518-F523 HydrophobicContact CD2-CD1 4.04Å; L518-F523 HydrophobicContact CD2-CE1 4.48Å; K521-F523 VanDerWaalsContact C-N 3.31Å; K521-F523 HydrophobicContact CB-CE1 4.42Å; K521-F523 HydrophobicContact CB-CE2 3.98Å; K521-F523 HydrophobicContact CB-CZ 3.73Å; K521-F523 HydrophobicContact CG-CZ 4.11Å; K521-F523 VanDerWaalsContact O-CD2 3.3Å; K521-F523 WeakPolarHBondContact O-CD2 3.48Å; K521-F523 WeakPolarHBondContact O-CE2 3.25Å; K521-F523 PolarHBondContact O-N 3.42Å; K521-F523 VanDerWaalsContact O-N 3.15Å; F523-E527 PolarHBondContact O-N 2.8Å; F523-I553 HydrophobicContact CD1-CB 4.24Å; F523-I553 HydrophobicContact CD1-CD1 4.01Å; F523-I553 HydrophobicContact CD1-CG2 3.92Å; F523-I553 HydrophobicContact CD2-CG2 3.81Å; F523-I553 HydrophobicContact CE1-CB 4.34Å; F523-I553 HydrophobicContact CE1-CD1 3.68Å; F523-I553 HydrophobicContact CE1-CG2 3.74Å; F523-I553 HydrophobicContact CE2-CG2 3.6Å; F523-I553 HydrophobicContact CG-CB 4.45Å; F523-I553 HydrophobicContact CG-CG2 3.97Å; F523-I553 HydrophobicContact CZ-CD1 4.4Å; F523-I553 HydrophobicContact CZ-CG2 3.57Å; F523-Q554 HydrophobicContact CB-CG 3.94Å; F523-Q554 PolarHBondContact O-NE2 3.08Å
524	V	96.1	Very high	95.9	Very high	86 Å²	86	42.4 Å²	42.4	52%	0.521	21%	0.21	S	C	.	.	H	α-helix	trans	-71.3	-43.3	177.8	179.5	0	0	0	0	110.7	E522 A526 E527 N528	E522-V524 VanDerWaalsContact C-N 3.3Å; E522-V524 PolarHBondContact O-N 2.71Å; V524-A526 VanDerWaalsContact C-N 3.35Å; V524-E527 PolarHBondContact O-N 2.96Å; V524-N528 PolarHBondContact O-N 2.74Å; V524-N528 VanDerWaalsContact O-N 3.13Å; V524-N528 PolarHBondContact O-ND2 3.36Å
525	K	96.2	Very high	95.7	Very high	66 Å²	66	50 Å²	50	29%	0.287	24%	0.238	S	C	.	.	H	α-helix	trans	-64.9	-41.4	174.3	-67.8	-168.4	178.4	-167	0	111	E497 C517 E522 E527 N528 A529	E497-K525 WeakPolarHBondContact OE1-CE 3.32Å; E497-K525 IonicContact OE1-NZ 3.57Å; E497-K525 PolarHBondContact OE1-NZ 3.08Å; E497-K525 IonicContact OE2-NZ 2.7Å; C517-K525 HydrophobicContact CB-CB 4.25Å; E522-K525 HydrophobicContact CB-CB 4.31Å; E522-K525 PolarHBondContact O-N 3.02Å; K525-E527 PolarHBondContact O-N 3.17Å; K525-N528 PolarHBondContact O-N 3.28Å; K525-A529 WeakPolarHBondContact O-CB 3.48Å; K525-A529 PolarHBondContact O-N 2.95Å
526	A	97.1	Very high	95.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.7	-48	175.1	0	0	0	0	0	112.1	C517 L518 E522 V524 N528 A529 F530 A550	C517-A526 HydrophobicContact CB-CB 3.71Å; L518-A526 HydrophobicContact CD2-CB 3.78Å; L518-A526 HydrophobicContact CG-CB 3.85Å; E522-A526 PolarHBondContact O-N 3.08Å; V524-A526 VanDerWaalsContact C-N 3.35Å; A526-N528 VanDerWaalsContact C-N 3.35Å; A526-N528 PolarHBondContact O-N 3.1Å; A526-A529 PolarHBondContact O-N 3.29Å; A526-F530 HydrophobicContact CB-CE2 4.26Å; A526-F530 WeakPolarHBondContact O-CD2 3.31Å; A526-F530 PolarHBondContact O-N 3.29Å; A526-A550 HydrophobicContact CB-CB 4.16Å
527	E	96.5	Very high	94.8	Very high	10 Å²	10	51 Å²	51	5%	0.047	24%	0.241	C	C	.	.	H	α-helix	trans	-55.9	-48.6	175.4	177.9	-174	166.5	0	0	111.4	F523 V524 K525 A529 F530 R531 A550 V551 Q554 K556	F523-E527 PolarHBondContact O-N 2.8Å; V524-E527 PolarHBondContact O-N 2.96Å; K525-E527 PolarHBondContact O-N 3.17Å; E527-A529 VanDerWaalsContact C-N 3.33Å; E527-A529 PolarHBondContact O-N 2.9Å; E527-F530 PolarHBondContact O-N 3.07Å; E527-R531 HydrophobicContact CG-CG 4.5Å; E527-R531 VanDerWaalsContact O-CB 3.3Å; E527-R531 WeakPolarHBondContact O-CB 3.38Å; E527-R531 VanDerWaalsContact O-CG 3.32Å; E527-R531 WeakPolarHBondContact O-CG 3.42Å; E527-R531 PolarHBondContact O-N 2.7Å; E527-R531 IonicContact OE1-CZ 3.2Å; E527-R531 IonicContact OE1-NE 2.67Å; E527-R531 IonicContact OE1-NH1 2.79Å; E527-R531 PolarHBondContact OE1-NH1 2.7Å; E527-A550 HydrophobicContact CB-CB 4.35Å; E527-V551 HydrophobicContact CB-CG2 4.39Å; E527-V551 VanDerWaalsContact CD-CG2 3.5Å; E527-V551 HydrophobicContact CG-CG2 3.69Å; E527-Q554 PolarHBondContact OE2-NE2 3.2Å; E527-Q554 PolarHBondContact OE2-OE1 2.79Å; E527-K556 IonicContact OE2-NZ 3.86Å
528	N	96.4	Very high	94.2	Very high	85 Å²	85	52.3 Å²	52.3	46%	0.455	25%	0.25	S	S	.	.	H	α-helix	trans	-64.5	-37.5	-179.5	-70.6	-22.6	0	0	0	112.7	V524 K525 A526 S532	V524-N528 PolarHBondContact O-N 2.74Å; V524-N528 VanDerWaalsContact O-N 3.13Å; V524-N528 PolarHBondContact O-ND2 3.36Å; K525-N528 PolarHBondContact O-N 3.28Å; A526-N528 VanDerWaalsContact C-N 3.35Å; A526-N528 PolarHBondContact O-N 3.1Å; N528-S532 PolarHBondContact O-N 2.83Å; N528-S532 PolarHBondContact O-OG 3.09Å; N528-S532 VanDerWaalsContact O-OG 3.12Å
529	A	96.6	Very high	93.5	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-65.2	-50.3	177.4	0	0	0	0	0	111.3	W510 F513 K525 A526 E527 R531 S532 C533	W510-A529 HydrophobicContact CE3-CB 4.05Å; W510-A529 HydrophobicContact CZ3-CB 4.48Å; F513-A529 HydrophobicContact CD1-CB 3.5Å; F513-A529 HydrophobicContact CE1-CB 3.93Å; F513-A529 HydrophobicContact CG-CB 4.38Å; K525-A529 WeakPolarHBondContact O-CB 3.48Å; K525-A529 PolarHBondContact O-N 2.95Å; A526-A529 PolarHBondContact O-N 3.29Å; E527-A529 VanDerWaalsContact C-N 3.33Å; E527-A529 PolarHBondContact O-N 2.9Å; A529-R531 VanDerWaalsContact C-N 3.33Å; A529-R531 PolarHBondContact O-N 2.72Å; A529-S532 PolarHBondContact O-N 3.35Å; A529-S532 VanDerWaalsContact O-N 3.16Å; A529-C533 PolarHBondContact O-N 3.49Å
530	F	97.1	Very high	93.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67	-34.2	177	-65.5	-58.8	0	0	0	112.5	F511 L518 A526 E527 S532 C533 V534 A543 N546 C547	F511-F530 HydrophobicContact CD2-CD1 4.2Å; F511-F530 AromaticContact CD2-CE1 3.87Å; F511-F530 HydrophobicContact CD2-CE1 3.87Å; F511-F530 HydrophobicContact CE2-CE1 4.13Å; F511-F530 HydrophobicContact CG-CE1 4.47Å; L518-F530 HydrophobicContact CD1-CE2 3.66Å; L518-F530 HydrophobicContact CD1-CZ 3.96Å; L518-F530 HydrophobicContact CG-CE2 3.98Å; A526-F530 HydrophobicContact CB-CE2 4.26Å; A526-F530 WeakPolarHBondContact O-CD2 3.31Å; A526-F530 PolarHBondContact O-N 3.29Å; E527-F530 PolarHBondContact O-N 3.07Å; F530-S532 VanDerWaalsContact C-N 3.29Å; F530-S532 PolarHBondContact O-N 3.39Å; F530-C533 VanDerWaalsContact O-CB 3.32Å; F530-C533 WeakPolarHBondContact O-CB 3.45Å; F530-C533 PolarHBondContact O-N 3.04Å; F530-V534 WeakPolarHBondContact O-CG1 3.46Å; F530-V534 WeakPolarHBondContact O-CG2 3.44Å; F530-V534 PolarHBondContact O-N 2.94Å; F530-A543 HydrophobicContact CD1-CB 4.28Å; F530-N546 HydrophobicContact CD1-CB 4.01Å; F530-N546 HydrophobicContact CD2-CB 3.89Å; F530-N546 HydrophobicContact CE1-CB 3.63Å; F530-N546 HydrophobicContact CE2-CB 3.52Å; F530-N546 HydrophobicContact CG-CB 4.14Å; F530-N546 HydrophobicContact CZ-CB 3.37Å; F530-C547 HydrophobicContact CB-CB 3.61Å; F530-C547 HydrophobicContact CG-CB 4.4Å
531	R	95.4	Very high	92.6	Very high	109 Å²	109	50.2 Å²	50.2	41%	0.411	24%	0.235	S	C	.	.	H	α-helix	trans	-59.7	-39.3	171.2	-84.5	-176.6	143.8	158.7	-1.1	112.8	E527 A529 V534 R535	E527-R531 HydrophobicContact CG-CG 4.5Å; E527-R531 VanDerWaalsContact O-CB 3.3Å; E527-R531 WeakPolarHBondContact O-CB 3.38Å; E527-R531 VanDerWaalsContact O-CG 3.32Å; E527-R531 WeakPolarHBondContact O-CG 3.42Å; E527-R531 PolarHBondContact O-N 2.7Å; E527-R531 IonicContact OE1-CZ 3.2Å; E527-R531 IonicContact OE1-NE 2.67Å; E527-R531 IonicContact OE1-NH1 2.79Å; E527-R531 PolarHBondContact OE1-NH1 2.7Å; A529-R531 VanDerWaalsContact C-N 3.33Å; A529-R531 PolarHBondContact O-N 2.72Å; R531-V534 WeakPolarHBondContact O-CG2 3.32Å; R531-R535 WeakPolarHBondContact O-CB 3.24Å; R531-R535 PolarHBondContact O-N 2.83Å; R531-R535 VanDerWaalsContact O-N 3.12Å
532	S	95.3	Very high	92.4	Very high	14 Å²	14	47 Å²	47	10%	0.098	22%	0.223	C	C	.	.	H	α-helix	trans	-70.2	-38.2	174.8	-63.9	0	0	0	0	111.5	N528 A529 F530 R535 L536	N528-S532 PolarHBondContact O-N 2.83Å; N528-S532 PolarHBondContact O-OG 3.09Å; N528-S532 VanDerWaalsContact O-OG 3.12Å; A529-S532 PolarHBondContact O-N 3.35Å; A529-S532 VanDerWaalsContact O-N 3.16Å; F530-S532 VanDerWaalsContact C-N 3.29Å; F530-S532 PolarHBondContact O-N 3.39Å; S532-R535 PolarHBondContact O-N 3.06Å; S532-R535 PolarHBondContact OG-NH2 3.49Å; S532-R535 VanDerWaalsContact OG-NH2 3.15Å; S532-L536 WeakPolarHBondContact O-CG 3.23Å; S532-L536 PolarHBondContact O-N 3.25Å
533	C	94	Very high	92.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.5	-52.8	173	-168.3	0	0	0	0	111.7	W510 A529 F530 R535 L536 D537 A543	W510-C533 HydrophobicContact CB-CB 4.06Å; A529-C533 PolarHBondContact O-N 3.49Å; F530-C533 VanDerWaalsContact O-CB 3.32Å; F530-C533 WeakPolarHBondContact O-CB 3.45Å; F530-C533 PolarHBondContact O-N 3.04Å; C533-R535 VanDerWaalsContact C-N 3.3Å; C533-R535 PolarHBondContact O-N 3.41Å; C533-L536 PolarHBondContact O-N 3.3Å; C533-D537 PolarHBondContact O-N 3.41Å; C533-A543 HydrophobicContact CB-CB 4Å
534	V	92	Very high	92.1	Very high	12 Å²	12	42.3 Å²	42.3	7%	0.073	20%	0.2	C	C	.	.	H	α-helix	trans	-71.9	-21.3	-177.8	-57.8	0	0	0	0	113.9	F530 R531 D537 P538 A543 W544	F530-V534 WeakPolarHBondContact O-CG1 3.46Å; F530-V534 WeakPolarHBondContact O-CG2 3.44Å; F530-V534 PolarHBondContact O-N 2.94Å; R531-V534 WeakPolarHBondContact O-CG2 3.32Å; V534-D537 WeakPolarHBondContact CA-O 3.43Å; V534-D537 CarbonylContact O-C 3.53Å; V534-P538 WeakPolarHBondContact O-CA 3.11Å; V534-P538 WeakPolarHBondContact O-CG 3.43Å; V534-A543 HydrophobicContact CG1-CB 3.68Å; V534-W544 HydrophobicContact CB-CD2 4.02Å; V534-W544 HydrophobicContact CB-CH2 4.21Å; V534-W544 HydrophobicContact CB-CZ2 3.7Å; V534-W544 HydrophobicContact CG1-CB 4.44Å; V534-W544 HydrophobicContact CG1-CD2 3.63Å; V534-W544 HydrophobicContact CG1-CE3 4.25Å; V534-W544 HydrophobicContact CG1-CG 3.7Å; V534-W544 HydrophobicContact CG1-CZ2 4.27Å; V534-W544 HydrophobicContact CG2-CD2 4.39Å; V534-W544 HydrophobicContact CG2-CE3 4.37Å; V534-W544 HydrophobicContact CG2-CH2 3.92Å; V534-W544 HydrophobicContact CG2-CZ2 3.94Å; V534-W544 HydrophobicContact CG2-CZ3 4.14Å
535	R	91.7	Very high	91.8	Very high	158 Å²	158	39.9 Å²	39.9	60%	0.596	18%	0.184	S	C	*	.	H	α-helix	trans	-70.9	-38.7	172.7	-179.8	179.1	62.2	-111.9	-5.1	111.3	R531 S532 C533	R531-R535 WeakPolarHBondContact O-CB 3.24Å; R531-R535 PolarHBondContact O-N 2.83Å; R531-R535 VanDerWaalsContact O-N 3.12Å; S532-R535 PolarHBondContact O-N 3.06Å; S532-R535 PolarHBondContact OG-NH2 3.49Å; S532-R535 VanDerWaalsContact OG-NH2 3.15Å; C533-R535 VanDerWaalsContact C-N 3.3Å; C533-R535 PolarHBondContact O-N 3.41Å
536	L	90.3	Very high	91.7	Very high	14 Å²	14	38.3 Å²	38.3	7%	0.073	18%	0.179	C	C	.	.	H	α-helix	trans	-81.9	-42.2	179.8	-64.4	173.9	0	0	0	111.3	Y184 L505 V507 S532 C533	Y184-L536 WeakPolarHBondContact CD1-O 3.3Å; Y184-L536 HydrophobicContact CD2-CB 4.09Å; Y184-L536 HydrophobicContact CD2-CD2 3.85Å; Y184-L536 HydrophobicContact CD2-CG 4.46Å; Y184-L536 HydrophobicContact CE2-CB 4.33Å; Y184-L536 HydrophobicContact CG-CB 4.26Å; Y184-L536 HydrophobicContact CG-CD2 4.32Å; L505-L536 HydrophobicContact CD2-CD2 4.01Å; V507-L536 HydrophobicContact CG2-CB 3.63Å; V507-L536 HydrophobicContact CG2-CD1 4.07Å; S532-L536 WeakPolarHBondContact O-CG 3.23Å; S532-L536 PolarHBondContact O-N 3.25Å; C533-L536 PolarHBondContact O-N 3.3Å
537	D	86.3	Confident	91.5	Very high	43 Å²	43	38.3 Å²	38.3	23%	0.23	18%	0.179	C	C	.	.			trans	-128.5	85.8	178.6	-178.7	12.4	0	0	0	109.9	V507 C533 V534 D539 N540	V507-D537 HydrophobicContact CG1-CB 3.63Å; V507-D537 HydrophobicContact CG2-CB 4.22Å; C533-D537 PolarHBondContact O-N 3.41Å; V534-D537 WeakPolarHBondContact CA-O 3.43Å; V534-D537 CarbonylContact O-C 3.53Å; D537-D539 PolarHBondContact O-N 3.48Å; D537-D539 PolarHBondContact OD1-N 2.87Å; D537-N540 PolarHBondContact O-N 2.96Å
538	P	84.9	Confident	91.4	Very high	29 Å²	29	37.9 Å²	37.9	19%	0.188	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21	179.2	-22.5	33.7	0	0	0	113.7	V534 N540 W544 Y570	V534-P538 WeakPolarHBondContact O-CA 3.11Å; V534-P538 WeakPolarHBondContact O-CG 3.43Å; P538-N540 VanDerWaalsContact C-N 3.3Å; P538-N540 PolarHBondContact O-N 3.46Å; P538-W544 PolarHBondContact O-NE1 3.39Å; P538-Y570 HydrophobicContact CB-CE1 4Å; P538-Y570 HydrophobicContact CB-CE2 4.26Å; P538-Y570 VanDerWaalsContact CB-OH 3.3Å; P538-Y570 WeakPolarHBondContact CB-OH 3.32Å; P538-Y570 WeakPolarHBondContact O-CD2 3.47Å; P538-Y570 VanDerWaalsContact O-CE2 3.24Å; P538-Y570 WeakPolarHBondContact O-CE2 3.46Å
539	D	80.9	Confident	91.2	Very high	41 Å²	41	36.1 Å²	36.1	22%	0.219	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-13.5	-174.9	-63.5	-14.7	0	0	0	112.6	D537 F541 Y570	D537-D539 PolarHBondContact O-N 3.48Å; D537-D539 PolarHBondContact OD1-N 2.87Å; D539-F541 PolarHBondContact O-N 2.9Å; D539-Y570 HydrophobicContact CB-CD1 4.4Å; D539-Y570 WeakPolarHBondContact OD1-CD1 3.37Å; D539-Y570 WeakPolarHBondContact OD1-CE1 3.43Å
540	N	85.9	Confident	91	Very high	28 Å²	28	36 Å²	36	15%	0.15	17%	0.169	C	C	.	.			trans	-71.4	87.6	179.5	-170.4	-24.7	0	0	0	111.8	D537 P538 E542 A543 W544	D537-N540 PolarHBondContact O-N 2.96Å; P538-N540 VanDerWaalsContact C-N 3.3Å; P538-N540 PolarHBondContact O-N 3.46Å; N540-E542 PolarHBondContact O-N 3.39Å; N540-E542 WeakPolarHBondContact OD1-CB 3.41Å; N540-E542 PolarHBondContact OD1-N 3.47Å; N540-A543 HydrophobicContact CB-CB 3.99Å; N540-A543 WeakPolarHBondContact O-CB 3.26Å; N540-A543 PolarHBondContact O-N 3.38Å; N540-A543 VanDerWaalsContact O-N 3.15Å; N540-A543 PolarHBondContact OD1-N 2.9Å; N540-W544 VanDerWaalsContact O-CD1 3.26Å; N540-W544 PolarHBondContact O-N 3.39Å
541	F	85	Confident	90.9	Very high	67 Å²	67	36 Å²	36	29%	0.294	17%	0.169	S	C	.	.	H	α-helix	trans	-61.1	-30.8	179.3	76.8	-90.6	0	0	0	113	D539 A543 W544 N545 N574 I577	D539-F541 PolarHBondContact O-N 2.9Å; F541-A543 VanDerWaalsContact C-N 3.35Å; F541-W544 PolarHBondContact O-N 2.91Å; F541-N545 WeakPolarHBondContact O-CB 3.14Å; F541-N545 PolarHBondContact O-N 3.45Å; F541-N574 WeakPolarHBondContact CE2-ND2 3.33Å; F541-I577 HydrophobicContact CB-CD1 4.08Å; F541-I577 HydrophobicContact CD2-CD1 3.97Å; F541-I577 HydrophobicContact CG-CD1 4.32Å
542	E	90.1	Very high	90.8	Very high	93 Å²	93	33.6 Å²	33.6	44%	0.435	16%	0.164	S	C	.	.	H	α-helix	trans	-66.9	-39.8	177.6	-60.7	-172.7	157.3	0	0	110.6	F511 N540 N545 N546	F511-E542 HydrophobicContact CE2-CB 3.72Å; F511-E542 HydrophobicContact CZ-CB 3.91Å; N540-E542 PolarHBondContact O-N 3.39Å; N540-E542 WeakPolarHBondContact OD1-CB 3.41Å; N540-E542 PolarHBondContact OD1-N 3.47Å; E542-N545 PolarHBondContact O-N 3.31Å; E542-N546 WeakPolarHBondContact O-CB 3.42Å; E542-N546 VanDerWaalsContact O-CG 3.24Å; E542-N546 PolarHBondContact O-N 3.03Å; E542-N546 PolarHBondContact O-ND2 3.38Å
543	A	92.7	Very high	90.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.6	-43.6	174.9	0	0	0	0	0	111.4	F511 F530 C533 V534 N540 F541 N546 C547	F511-A543 HydrophobicContact CD2-CB 4.03Å; F511-A543 HydrophobicContact CE2-CB 4.37Å; F530-A543 HydrophobicContact CD1-CB 4.28Å; C533-A543 HydrophobicContact CB-CB 4Å; V534-A543 HydrophobicContact CG1-CB 3.68Å; N540-A543 HydrophobicContact CB-CB 3.99Å; N540-A543 WeakPolarHBondContact O-CB 3.26Å; N540-A543 PolarHBondContact O-N 3.38Å; N540-A543 VanDerWaalsContact O-N 3.15Å; N540-A543 PolarHBondContact OD1-N 2.9Å; F541-A543 VanDerWaalsContact C-N 3.35Å; A543-N546 PolarHBondContact O-N 3.47Å; A543-C547 WeakPolarHBondContact O-CB 3.34Å; A543-C547 PolarHBondContact O-N 3.1Å
544	W	93	Very high	90.6	Very high	32 Å²	32	39.8 Å²	39.8	12%	0.121	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-44.9	173.7	-73.4	105.4	0	0	0	112.4	V534 P538 N540 F541 C547 A548 L563 E566 A567 Y570	V534-W544 HydrophobicContact CB-CD2 4.02Å; V534-W544 HydrophobicContact CB-CH2 4.21Å; V534-W544 HydrophobicContact CB-CZ2 3.7Å; V534-W544 HydrophobicContact CG1-CB 4.44Å; V534-W544 HydrophobicContact CG1-CD2 3.63Å; V534-W544 HydrophobicContact CG1-CE3 4.25Å; V534-W544 HydrophobicContact CG1-CG 3.7Å; V534-W544 HydrophobicContact CG1-CZ2 4.27Å; V534-W544 HydrophobicContact CG2-CD2 4.39Å; V534-W544 HydrophobicContact CG2-CE3 4.37Å; V534-W544 HydrophobicContact CG2-CH2 3.92Å; V534-W544 HydrophobicContact CG2-CZ2 3.94Å; V534-W544 HydrophobicContact CG2-CZ3 4.14Å; P538-W544 PolarHBondContact O-NE1 3.39Å; N540-W544 VanDerWaalsContact O-CD1 3.26Å; N540-W544 PolarHBondContact O-N 3.39Å; F541-W544 PolarHBondContact O-N 2.91Å; W544-C547 WeakPolarHBondContact O-CB 3.49Å; W544-C547 PolarHBondContact O-N 3.29Å; W544-A548 WeakPolarHBondContact O-CB 3.41Å; W544-A548 PolarHBondContact O-N 3.37Å; W544-L563 HydrophobicContact CE3-CB 4.49Å; W544-L563 HydrophobicContact CE3-CD2 3.94Å; W544-L563 HydrophobicContact CZ3-CD2 3.63Å; W544-E566 HydrophobicContact CD2-CB 4.23Å; W544-E566 HydrophobicContact CE3-CB 3.91Å; W544-E566 HydrophobicContact CH2-CB 3.98Å; W544-E566 HydrophobicContact CH2-CG 4.32Å; W544-E566 HydrophobicContact CZ2-CB 4.27Å; W544-E566 HydrophobicContact CZ3-CB 3.79Å; W544-E566 HydrophobicContact CZ3-CG 4.22Å; W544-A567 HydrophobicContact CB-CB 3.42Å; W544-A567 VanDerWaalsContact CB-CB 3.42Å; W544-A567 HydrophobicContact CG-CB 4.1Å; W544-Y570 HydrophobicContact CZ2-CE2 4.33Å; W544-Y570 AromaticContact NE1-CD2 3.8Å; W544-Y570 AromaticContact NE1-CE2 3.84Å
545	N	90.4	Very high	90.6	Very high	35 Å²	35	41.7 Å²	41.7	19%	0.187	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-44.7	179.4	-179.9	57.4	0	0	0	112.1	F541 E542 A548 T549 M564 N580	F541-N545 WeakPolarHBondContact O-CB 3.14Å; F541-N545 PolarHBondContact O-N 3.45Å; E542-N545 PolarHBondContact O-N 3.31Å; N545-A548 PolarHBondContact O-N 3.17Å; N545-T549 WeakPolarHBondContact O-CB 3.48Å; N545-T549 PolarHBondContact O-N 3.34Å; N545-T549 PolarHBondContact O-OG1 2.74Å; N545-M564 HydrophobicContact CB-SD 4.34Å; N545-M564 VanDerWaalsContact OD1-CE 3.26Å; N545-M564 WeakPolarHBondContact OD1-CE 3.23Å; N545-M564 PolarHBondContact OD1-SD 2.86Å; N545-N580 PolarHBondContact OD1-ND2 2.86Å
546	N	93.5	Very high	90.7	Very high	34 Å²	34	38.4 Å²	38.4	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-70.1	-34.1	177.8	-68.5	-20.3	0	0	0	111.9	L518 F530 E542 A543 T549 A550	L518-N546 HydrophobicContact CD1-CB 4.31Å; F530-N546 HydrophobicContact CD1-CB 4.01Å; F530-N546 HydrophobicContact CD2-CB 3.89Å; F530-N546 HydrophobicContact CE1-CB 3.63Å; F530-N546 HydrophobicContact CE2-CB 3.52Å; F530-N546 HydrophobicContact CG-CB 4.14Å; F530-N546 HydrophobicContact CZ-CB 3.37Å; E542-N546 WeakPolarHBondContact O-CB 3.42Å; E542-N546 VanDerWaalsContact O-CG 3.24Å; E542-N546 PolarHBondContact O-N 3.03Å; E542-N546 PolarHBondContact O-ND2 3.38Å; A543-N546 PolarHBondContact O-N 3.47Å; N546-T549 PolarHBondContact O-N 3.32Å; N546-A550 WeakPolarHBondContact O-CB 3.42Å; N546-A550 PolarHBondContact O-N 3.12Å
547	C	94.6	Very high	90.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.4	-51	170.6	-169.2	0	0	0	0	111.1	F530 A543 W544 T549 A550 V551 L563	F530-C547 HydrophobicContact CB-CB 3.61Å; F530-C547 HydrophobicContact CG-CB 4.4Å; A543-C547 WeakPolarHBondContact O-CB 3.34Å; A543-C547 PolarHBondContact O-N 3.1Å; W544-C547 WeakPolarHBondContact O-CB 3.49Å; W544-C547 PolarHBondContact O-N 3.29Å; C547-T549 VanDerWaalsContact C-N 3.27Å; C547-T549 PolarHBondContact O-N 3.08Å; C547-A550 PolarHBondContact O-N 3.07Å; C547-V551 VanDerWaalsContact O-CG2 3.31Å; C547-V551 WeakPolarHBondContact O-CG2 3.48Å; C547-V551 PolarHBondContact O-N 3.27Å; C547-L563 HydrophobicContact CB-CD1 4.48Å
548	A	93	Very high	91	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.2	-38.8	177.2	0	0	0	0	0	111.7	W544 N545 V551 L552 A560 L563 M564	W544-A548 WeakPolarHBondContact O-CB 3.41Å; W544-A548 PolarHBondContact O-N 3.37Å; N545-A548 PolarHBondContact O-N 3.17Å; A548-V551 PolarHBondContact O-N 3.14Å; A548-L552 VanDerWaalsContact O-CB 3.25Å; A548-L552 WeakPolarHBondContact O-CB 3.21Å; A548-L552 PolarHBondContact O-N 2.88Å; A548-A560 HydrophobicContact CB-CB 4.46Å; A548-A560 WeakPolarHBondContact O-CB 3.49Å; A548-L563 HydrophobicContact CB-CB 3.9Å; A548-L563 HydrophobicContact CB-CD1 4.5Å; A548-M564 HydrophobicContact CB-CE 3.42Å; A548-M564 VanDerWaalsContact CB-CE 3.42Å; A548-M564 HydrophobicContact CB-SD 4.05Å
549	T	92	Very high	91.3	Very high	48 Å²	48	46.3 Å²	46.3	29%	0.294	24%	0.241	S	C	.	.	H	α-helix	trans	-62.5	-47.4	174.9	-59.1	0	0	0	0	111.6	N545 N546 C547 V551 L552 I553	N545-T549 WeakPolarHBondContact O-CB 3.48Å; N545-T549 PolarHBondContact O-N 3.34Å; N545-T549 PolarHBondContact O-OG1 2.74Å; N546-T549 PolarHBondContact O-N 3.32Å; C547-T549 VanDerWaalsContact C-N 3.27Å; C547-T549 PolarHBondContact O-N 3.08Å; T549-V551 VanDerWaalsContact C-N 3.31Å; T549-V551 PolarHBondContact O-N 3.29Å; T549-L552 PolarHBondContact O-N 2.83Å; T549-I553 HydrophobicContact CG2-CD1 4.11Å; T549-I553 WeakPolarHBondContact O-CG1 3.46Å; T549-I553 PolarHBondContact O-N 2.83Å
550	A	94.1	Very high	91.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.4	-43.6	176.2	0	0	0	0	0	111.7	L518 A526 E527 N546 C547 Q554	L518-A550 HydrophobicContact CD2-CB 3.92Å; A526-A550 HydrophobicContact CB-CB 4.16Å; E527-A550 HydrophobicContact CB-CB 4.35Å; N546-A550 WeakPolarHBondContact O-CB 3.42Å; N546-A550 PolarHBondContact O-N 3.12Å; C547-A550 PolarHBondContact O-N 3.07Å; A550-Q554 WeakPolarHBondContact O-CG 2.96Å; A550-Q554 PolarHBondContact O-N 2.84Å
551	V	94.8	Very high	92.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.5	-36.4	178.4	172.3	0	0	0	0	112.1	E527 C547 A548 T549 Q554 G555 K556 I559 A560 L563	E527-V551 HydrophobicContact CB-CG2 4.39Å; E527-V551 VanDerWaalsContact CD-CG2 3.5Å; E527-V551 HydrophobicContact CG-CG2 3.69Å; C547-V551 VanDerWaalsContact O-CG2 3.31Å; C547-V551 WeakPolarHBondContact O-CG2 3.48Å; C547-V551 PolarHBondContact O-N 3.27Å; A548-V551 PolarHBondContact O-N 3.14Å; T549-V551 VanDerWaalsContact C-N 3.31Å; T549-V551 PolarHBondContact O-N 3.29Å; V551-Q554 WeakPolarHBondContact O-CB 3.33Å; V551-Q554 PolarHBondContact O-N 3.3Å; V551-G555 PolarHBondContact O-N 3.12Å; V551-K556 HydrophobicContact CG1-CB 3.63Å; V551-K556 HydrophobicContact CG1-CD 4.42Å; V551-K556 WeakPolarHBondContact CG1-O 3.33Å; V551-K556 PolarHBondContact O-N 3.42Å; V551-K556 VanDerWaalsContact O-N 3.16Å; V551-I559 HydrophobicContact CG1-CB 3.85Å; V551-I559 HydrophobicContact CG1-CG2 3.92Å; V551-A560 HydrophobicContact CB-CB 4.41Å; V551-A560 HydrophobicContact CG1-CB 4.1Å; V551-L563 HydrophobicContact CB-CD1 4.26Å; V551-L563 HydrophobicContact CG1-CD1 4.5Å; V551-L563 HydrophobicContact CG2-CD1 3.82Å
552	L	92.8	Very high	92.6	Very high	58 Å²	58	47.4 Å²	47.4	30%	0.304	24%	0.243	S	C	.	.	H	α-helix	trans	-65.5	-43.6	177.4	-175.8	66.5	0	0	0	111.3	A548 T549 Q554 G555 K557 A560 I584	A548-L552 VanDerWaalsContact O-CB 3.25Å; A548-L552 WeakPolarHBondContact O-CB 3.21Å; A548-L552 PolarHBondContact O-N 2.88Å; T549-L552 PolarHBondContact O-N 2.83Å; L552-Q554 PolarHBondContact O-N 3.18Å; L552-G555 WeakPolarHBondContact O-CA 3.41Å; L552-G555 PolarHBondContact O-N 3.06Å; L552-K557 HydrophobicContact CD1-CB 4.37Å; L552-K557 HydrophobicContact CD1-CG 3.95Å; L552-A560 HydrophobicContact CB-CB 4.06Å; L552-A560 HydrophobicContact CD1-CB 4.36Å; L552-I584 HydrophobicContact CD1-CG1 4.36Å; L552-I584 HydrophobicContact CD2-CD1 4.3Å; L552-I584 HydrophobicContact CD2-CG1 4.09Å
553	I	92.3	Very high	92.7	Very high	91 Å²	91	43.8 Å²	43.8	47%	0.467	23%	0.227	S	C	.	.	H	α-helix	trans	-62.9	-32.6	176.4	-64.3	165.9	0	0	0	111.2	F523 T549 G555	F523-I553 HydrophobicContact CD1-CB 4.24Å; F523-I553 HydrophobicContact CD1-CD1 4.01Å; F523-I553 HydrophobicContact CD1-CG2 3.92Å; F523-I553 HydrophobicContact CD2-CG2 3.81Å; F523-I553 HydrophobicContact CE1-CB 4.34Å; F523-I553 HydrophobicContact CE1-CD1 3.68Å; F523-I553 HydrophobicContact CE1-CG2 3.74Å; F523-I553 HydrophobicContact CE2-CG2 3.6Å; F523-I553 HydrophobicContact CG-CB 4.45Å; F523-I553 HydrophobicContact CG-CG2 3.97Å; F523-I553 HydrophobicContact CZ-CD1 4.4Å; F523-I553 HydrophobicContact CZ-CG2 3.57Å; T549-I553 HydrophobicContact CG2-CD1 4.11Å; T549-I553 WeakPolarHBondContact O-CG1 3.46Å; T549-I553 PolarHBondContact O-N 2.83Å; I553-G555 PolarHBondContact O-N 3.33Å
554	Q	93.6	Very high	92.6	Very high	53 Å²	53	43.9 Å²	43.9	25%	0.248	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-3.1	171.9	-66.2	175.7	48.9	0	0	113.9	F523 E527 A550 V551 L552	F523-Q554 HydrophobicContact CB-CG 3.94Å; F523-Q554 PolarHBondContact O-NE2 3.08Å; E527-Q554 PolarHBondContact OE2-NE2 3.2Å; E527-Q554 PolarHBondContact OE2-OE1 2.79Å; A550-Q554 WeakPolarHBondContact O-CG 2.96Å; A550-Q554 PolarHBondContact O-N 2.84Å; V551-Q554 WeakPolarHBondContact O-CB 3.33Å; V551-Q554 PolarHBondContact O-N 3.3Å; L552-Q554 PolarHBondContact O-N 3.18Å
555	G	91.3	Very high	92.5	Very high	51 Å²	51	46 Å²	46	53%	0.526	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	84	2	179.7	0	0	0	0	0	115.1	V551 L552 I553 K557	V551-G555 PolarHBondContact O-N 3.12Å; L552-G555 WeakPolarHBondContact O-CA 3.41Å; L552-G555 PolarHBondContact O-N 3.06Å; I553-G555 PolarHBondContact O-N 3.33Å; G555-K557 VanDerWaalsContact C-N 3.25Å; G555-K557 PolarHBondContact O-N 3.48Å
556	K	93.1	Very high	92.4	Very high	90 Å²	90	47.4 Å²	47.4	39%	0.391	24%	0.243	S	C	.	.			trans	-85.2	58.6	-178.3	-64.7	169.8	-175.7	159.7	0	111.7	E527 V551 N558 I559 A560	E527-K556 IonicContact OE2-NZ 3.86Å; V551-K556 HydrophobicContact CG1-CB 3.63Å; V551-K556 HydrophobicContact CG1-CD 4.42Å; V551-K556 WeakPolarHBondContact CG1-O 3.33Å; V551-K556 PolarHBondContact O-N 3.42Å; V551-K556 VanDerWaalsContact O-N 3.16Å; K556-N558 VanDerWaalsContact C-N 3.34Å; K556-N558 PolarHBondContact O-N 3.43Å; K556-I559 HydrophobicContact CB-CB 4.43Å; K556-I559 HydrophobicContact CB-CD1 4.34Å; K556-I559 HydrophobicContact CD-CD1 4.3Å; K556-I559 PolarHBondContact O-N 2.87Å; K556-A560 PolarHBondContact O-N 3.06Å; K556-A560 VanDerWaalsContact O-N 3.13Å
557	K	91.6	Very high	92.2	Very high	78 Å²	78	45.8 Å²	45.8	34%	0.339	23%	0.234	S	C	.	.	H	α-helix	trans	-54.8	-41.1	-170.9	-55.3	-177.4	178.5	-176.7	0	114.3	L552 G555 I559 A560 L561 D587 V588	L552-K557 HydrophobicContact CD1-CB 4.37Å; L552-K557 HydrophobicContact CD1-CG 3.95Å; G555-K557 VanDerWaalsContact C-N 3.25Å; G555-K557 PolarHBondContact O-N 3.48Å; K557-I559 VanDerWaalsContact C-N 3.31Å; K557-I559 PolarHBondContact O-N 3.04Å; K557-A560 WeakPolarHBondContact O-CB 3.36Å; K557-A560 PolarHBondContact O-N 2.94Å; K557-L561 PolarHBondContact O-N 3.42Å; K557-D587 WeakPolarHBondContact CD-OD2 3.46Å; K557-D587 WeakPolarHBondContact CE-OD2 3.5Å; K557-D587 IonicContact NZ-OD1 2.71Å; K557-D587 PolarHBondContact NZ-OD1 3.06Å; K557-D587 IonicContact NZ-OD2 2.71Å; K557-D587 PolarHBondContact NZ-OD2 2.68Å; K557-V588 HydrophobicContact CB-CG2 3.46Å; K557-V588 VanDerWaalsContact CB-CG2 3.46Å; K557-V588 HydrophobicContact CD-CG2 4.49Å
558	N	91.1	Very high	91.9	Very high	101 Å²	101	46.1 Å²	46.1	54%	0.54	24%	0.236	S	C	.	.	H	α-helix	trans	-61.9	-36.7	178.7	-72.2	-25	0	0	0	113.3	K556 K562 V588	K556-N558 VanDerWaalsContact C-N 3.34Å; K556-N558 PolarHBondContact O-N 3.43Å; N558-K562 WeakPolarHBondContact O-CG 3.26Å; N558-K562 PolarHBondContact O-N 3.26Å; N558-V588 WeakPolarHBondContact OD1-CG1 3.46Å
559	I	92.7	Very high	91.5	Very high	72 Å²	72	52.7 Å²	52.7	37%	0.369	27%	0.265	S	S	.	.	H	α-helix	trans	-74.9	-42.2	178.2	-60	177.5	0	0	0	109.1	V551 K556 K557 L561 K562 L563	V551-I559 HydrophobicContact CG1-CB 3.85Å; V551-I559 HydrophobicContact CG1-CG2 3.92Å; K556-I559 HydrophobicContact CB-CB 4.43Å; K556-I559 HydrophobicContact CB-CD1 4.34Å; K556-I559 HydrophobicContact CD-CD1 4.3Å; K556-I559 PolarHBondContact O-N 2.87Å; K557-I559 VanDerWaalsContact C-N 3.31Å; K557-I559 PolarHBondContact O-N 3.04Å; I559-L561 VanDerWaalsContact C-N 3.28Å; I559-L561 PolarHBondContact O-N 2.94Å; I559-K562 WeakPolarHBondContact O-CB 3.48Å; I559-K562 PolarHBondContact O-N 2.6Å; I559-K562 VanDerWaalsContact O-N 3.09Å; I559-L563 HydrophobicContact CG2-CD1 4.16Å; I559-L563 HydrophobicContact CG2-CG 4.35Å; I559-L563 WeakPolarHBondContact O-CG 3.24Å; I559-L563 PolarHBondContact O-N 3.19Å
560	A	93.1	Very high	91	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-56.2	-42.3	175.1	0	0	0	0	0	111.9	A548 V551 L552 K556 K557 K562 L563 M564	A548-A560 HydrophobicContact CB-CB 4.46Å; A548-A560 WeakPolarHBondContact O-CB 3.49Å; V551-A560 HydrophobicContact CB-CB 4.41Å; V551-A560 HydrophobicContact CG1-CB 4.1Å; L552-A560 HydrophobicContact CB-CB 4.06Å; L552-A560 HydrophobicContact CD1-CB 4.36Å; K556-A560 PolarHBondContact O-N 3.06Å; K556-A560 VanDerWaalsContact O-N 3.13Å; K557-A560 WeakPolarHBondContact O-CB 3.36Å; K557-A560 PolarHBondContact O-N 2.94Å; A560-K562 PolarHBondContact O-N 3.28Å; A560-L563 PolarHBondContact O-N 2.95Å; A560-M564 WeakPolarHBondContact O-CB 3.33Å; A560-M564 PolarHBondContact O-N 3.48Å
561	L	92.6	Very high	90.4	Very high	11 Å²	11	56.2 Å²	56.2	6%	0.058	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-43.1	175.5	-176.2	59.3	0	0	0	112.4	K557 I559 M564 K565 I581 I584 V588 A590	K557-L561 PolarHBondContact O-N 3.42Å; I559-L561 VanDerWaalsContact C-N 3.28Å; I559-L561 PolarHBondContact O-N 2.94Å; L561-M564 PolarHBondContact O-N 3.42Å; L561-K565 WeakPolarHBondContact O-CG 3.48Å; L561-K565 PolarHBondContact O-N 3.12Å; L561-I581 HydrophobicContact CD1-CG2 4.14Å; L561-I584 HydrophobicContact CB-CG2 3.86Å; L561-I584 HydrophobicContact CD1-CG2 4.27Å; L561-V588 HydrophobicContact CD2-CG1 4.48Å; L561-A590 HydrophobicContact CD2-CB 4.02Å
562	K	92.3	Very high	90	Very high	148 Å²	148	60.8 Å²	60.8	64%	0.643	30%	0.295	S	S	*	.	H	α-helix	trans	-62.9	-44.8	176.4	-70.7	178.1	-179.4	-177.2	0	111.6	N558 I559 A560 M564 K565 E566	N558-K562 WeakPolarHBondContact O-CG 3.26Å; N558-K562 PolarHBondContact O-N 3.26Å; I559-K562 WeakPolarHBondContact O-CB 3.48Å; I559-K562 PolarHBondContact O-N 2.6Å; I559-K562 VanDerWaalsContact O-N 3.09Å; A560-K562 PolarHBondContact O-N 3.28Å; K562-M564 VanDerWaalsContact C-N 3.32Å; K562-M564 PolarHBondContact O-N 3.46Å; K562-K565 WeakPolarHBondContact O-CB 3.38Å; K562-K565 PolarHBondContact O-N 3.13Å; K562-E566 PolarHBondContact O-N 3.37Å
563	L	91.9	Very high	89.7	Confident	17 Å²	17	65.6 Å²	65.6	9%	0.089	32%	0.316	C	S	.	.	H	α-helix	trans	-61.3	-41.3	176.9	-68	172.9	0	0	0	111.7	W544 C547 A548 V551 I559 A560 K565 E566 A567	W544-L563 HydrophobicContact CE3-CB 4.49Å; W544-L563 HydrophobicContact CE3-CD2 3.94Å; W544-L563 HydrophobicContact CZ3-CD2 3.63Å; C547-L563 HydrophobicContact CB-CD1 4.48Å; A548-L563 HydrophobicContact CB-CB 3.9Å; A548-L563 HydrophobicContact CB-CD1 4.5Å; V551-L563 HydrophobicContact CB-CD1 4.26Å; V551-L563 HydrophobicContact CG1-CD1 4.5Å; V551-L563 HydrophobicContact CG2-CD1 3.82Å; I559-L563 HydrophobicContact CG2-CD1 4.16Å; I559-L563 HydrophobicContact CG2-CG 4.35Å; I559-L563 WeakPolarHBondContact O-CG 3.24Å; I559-L563 PolarHBondContact O-N 3.19Å; A560-L563 PolarHBondContact O-N 2.95Å; L563-K565 VanDerWaalsContact C-N 3.33Å; L563-K565 PolarHBondContact O-N 3.15Å; L563-E566 WeakPolarHBondContact O-CB 3.49Å; L563-E566 PolarHBondContact O-N 3.4Å; L563-A567 PolarHBondContact O-N 3.07Å
564	M	91.3	Very high	89.5	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-68.6	-33.3	178.7	-149.4	65.9	84.9	0	0	112.1	N545 A548 A560 L561 K562 A567 C568 I577 N580 I581 I584	N545-M564 HydrophobicContact CB-SD 4.34Å; N545-M564 VanDerWaalsContact OD1-CE 3.26Å; N545-M564 WeakPolarHBondContact OD1-CE 3.23Å; N545-M564 PolarHBondContact OD1-SD 2.86Å; A548-M564 HydrophobicContact CB-CE 3.42Å; A548-M564 VanDerWaalsContact CB-CE 3.42Å; A548-M564 HydrophobicContact CB-SD 4.05Å; A560-M564 WeakPolarHBondContact O-CB 3.33Å; A560-M564 PolarHBondContact O-N 3.48Å; L561-M564 PolarHBondContact O-N 3.42Å; K562-M564 VanDerWaalsContact C-N 3.32Å; K562-M564 PolarHBondContact O-N 3.46Å; M564-A567 WeakPolarHBondContact O-CB 3.43Å; M564-A567 PolarHBondContact O-N 3.3Å; M564-A567 HydrophobicContact SD-CB 4.48Å; M564-C568 PolarHBondContact O-N 2.91Å; M564-I577 HydrophobicContact CG-CG2 4.22Å; M564-N580 HydrophobicContact CE-CB 3.76Å; M564-N580 HydrophobicContact CG-CB 4.28Å; M564-N580 HydrophobicContact SD-CB 4.26Å; M564-I581 HydrophobicContact CB-CG1 3.81Å; M564-I581 HydrophobicContact CG-CD1 4.33Å; M564-I581 HydrophobicContact CG-CG1 3.47Å; M564-I581 VanDerWaalsContact CG-CG1 3.47Å; M564-I584 HydrophobicContact CE-CD1 3.81Å
565	K	90.8	Very high	89.3	Confident	77 Å²	77	64 Å²	64	34%	0.335	30%	0.304	S	S	.	.	H	α-helix	trans	-64.9	-37.6	170.7	-73.7	177.7	177.4	-176.2	0	112.3	L561 K562 L563 C568 K569 E593	L561-K565 WeakPolarHBondContact O-CG 3.48Å; L561-K565 PolarHBondContact O-N 3.12Å; K562-K565 WeakPolarHBondContact O-CB 3.38Å; K562-K565 PolarHBondContact O-N 3.13Å; L563-K565 VanDerWaalsContact C-N 3.33Å; L563-K565 PolarHBondContact O-N 3.15Å; K565-C568 WeakPolarHBondContact O-CB 3.48Å; K565-C568 PolarHBondContact O-N 3.19Å; K565-K569 PolarHBondContact O-N 3.09Å; K565-E593 IonicContact NZ-OE1 2.7Å; K565-E593 PolarHBondContact NZ-OE1 3.35Å
566	E	88.6	Confident	89.2	Confident	64 Å²	64	68.5 Å²	68.5	30%	0.299	31%	0.306	S	S	.	.	H	α-helix	trans	-65.6	-44.3	172.2	-66.8	-59.2	146.1	0	0	111.1	W544 K562 L563 C568 K569 Y570	W544-E566 HydrophobicContact CD2-CB 4.23Å; W544-E566 HydrophobicContact CE3-CB 3.91Å; W544-E566 HydrophobicContact CH2-CB 3.98Å; W544-E566 HydrophobicContact CH2-CG 4.32Å; W544-E566 HydrophobicContact CZ2-CB 4.27Å; W544-E566 HydrophobicContact CZ3-CB 3.79Å; W544-E566 HydrophobicContact CZ3-CG 4.22Å; K562-E566 PolarHBondContact O-N 3.37Å; L563-E566 WeakPolarHBondContact O-CB 3.49Å; L563-E566 PolarHBondContact O-N 3.4Å; E566-C568 PolarHBondContact O-N 2.91Å; E566-K569 WeakPolarHBondContact O-CB 3.19Å; E566-K569 PolarHBondContact O-N 3.39Å; E566-K569 IonicContact OE1-NZ 3.12Å; E566-K569 PolarHBondContact OE1-NZ 2.89Å; E566-K569 WeakPolarHBondContact OE2-CD 3.16Å; E566-K569 WeakPolarHBondContact OE2-CE 3.43Å; E566-K569 IonicContact OE2-NZ 3.57Å; E566-K569 PolarHBondContact OE2-NZ 3.26Å; E566-Y570 WeakPolarHBondContact O-CD2 2.87Å
567	A	87.8	Confident	89.1	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-52.9	-40.9	174.6	0	0	0	0	0	112.3	W544 L563 M564 K569 Y570 S571 I577	W544-A567 HydrophobicContact CB-CB 3.42Å; W544-A567 VanDerWaalsContact CB-CB 3.42Å; W544-A567 HydrophobicContact CG-CB 4.1Å; L563-A567 PolarHBondContact O-N 3.07Å; M564-A567 WeakPolarHBondContact O-CB 3.43Å; M564-A567 PolarHBondContact O-N 3.3Å; M564-A567 HydrophobicContact SD-CB 4.48Å; A567-K569 VanDerWaalsContact C-N 3.28Å; A567-K569 PolarHBondContact O-N 2.78Å; A567-Y570 PolarHBondContact O-N 3.46Å; A567-S571 PolarHBondContact O-N 3.04Å; A567-S571 VanDerWaalsContact O-N 3.11Å; A567-I577 HydrophobicContact CB-CD1 4.42Å; A567-I577 HydrophobicContact CB-CG2 4.24Å
568	C	88.5	Confident	89.1	Confident	8 Å²	8	61.2 Å²	61.2	5%	0.054	27%	0.273	C	S	.	.	H	α-helix	trans	-67.3	-24	179.7	-172.7	0	0	0	0	113.8	M564 K565 E566 Y570 S571 Y572 I577 W578 I581	M564-C568 PolarHBondContact O-N 2.91Å; K565-C568 WeakPolarHBondContact O-CB 3.48Å; K565-C568 PolarHBondContact O-N 3.19Å; E566-C568 PolarHBondContact O-N 2.91Å; C568-Y570 VanDerWaalsContact C-N 3.31Å; C568-S571 CarbonylContact O-C 3.59Å; C568-Y572 WeakPolarHBondContact O-CA 3.2Å; C568-Y572 PolarHBondContact O-N 3.42Å; C568-I577 HydrophobicContact CB-CG2 3.98Å; C568-W578 WeakPolarHBondContact SG-CH2 3.49Å; C568-W578 WeakPolarHBondContact SG-CZ2 3.14Å; C568-I581 HydrophobicContact CB-CD1 3.85Å
569	K	85.8	Confident	89.2	Confident	137 Å²	137	59 Å²	59	60%	0.596	26%	0.26	S	S	*	.	H	α-helix	trans	-66.6	-37	175.6	-65.5	-176.9	-170.6	162	0	111.4	K565 E566 A567	K565-K569 PolarHBondContact O-N 3.09Å; E566-K569 WeakPolarHBondContact O-CB 3.19Å; E566-K569 PolarHBondContact O-N 3.39Å; E566-K569 IonicContact OE1-NZ 3.12Å; E566-K569 PolarHBondContact OE1-NZ 2.89Å; E566-K569 WeakPolarHBondContact OE2-CD 3.16Å; E566-K569 WeakPolarHBondContact OE2-CE 3.43Å; E566-K569 IonicContact OE2-NZ 3.57Å; E566-K569 PolarHBondContact OE2-NZ 3.26Å; A567-K569 VanDerWaalsContact C-N 3.28Å; A567-K569 PolarHBondContact O-N 2.78Å
570	Y	80.9	Confident	89.1	Confident	95 Å²	95	57.8 Å²	57.8	37%	0.373	25%	0.254	S	S	.	.	H	α-helix	trans	-86.7	-28.6	-178.2	-61.3	-76.2	0	0	0	112.9	P538 D539 W544 E566 A567 C568	P538-Y570 HydrophobicContact CB-CE1 4Å; P538-Y570 HydrophobicContact CB-CE2 4.26Å; P538-Y570 VanDerWaalsContact CB-OH 3.3Å; P538-Y570 WeakPolarHBondContact CB-OH 3.32Å; P538-Y570 WeakPolarHBondContact O-CD2 3.47Å; P538-Y570 VanDerWaalsContact O-CE2 3.24Å; P538-Y570 WeakPolarHBondContact O-CE2 3.46Å; D539-Y570 HydrophobicContact CB-CD1 4.4Å; D539-Y570 WeakPolarHBondContact OD1-CD1 3.37Å; D539-Y570 WeakPolarHBondContact OD1-CE1 3.43Å; W544-Y570 HydrophobicContact CZ2-CE2 4.33Å; W544-Y570 AromaticContact NE1-CD2 3.8Å; W544-Y570 AromaticContact NE1-CE2 3.84Å; E566-Y570 WeakPolarHBondContact O-CD2 2.87Å; A567-Y570 PolarHBondContact O-N 3.46Å; C568-Y570 VanDerWaalsContact C-N 3.31Å
571	S	82.6	Confident	89.2	Confident	27 Å²	27	58.1 Å²	58.1	19%	0.189	26%	0.256	C	S	.	.			trans	-132.4	70.5	176.6	-167.2	0	0	0	0	111.4	A567 C568 E573 N574	A567-S571 PolarHBondContact O-N 3.04Å; A567-S571 VanDerWaalsContact O-N 3.11Å; C568-S571 CarbonylContact O-C 3.59Å; S571-E573 VanDerWaalsContact C-N 3.3Å; S571-E573 PolarHBondContact O-N 2.85Å; S571-N574 PolarHBondContact O-N 3.15Å; S571-N574 VanDerWaalsContact OG-CB 3.25Å; S571-N574 WeakPolarHBondContact OG-CB 3.32Å
572	Y	86	Confident	89.2	Confident	96 Å²	96	57.6 Å²	57.6	38%	0.376	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-26.4	-174.6	-172.6	-104.6	0	0	0	113.9	C568 W578 Y596 R600	C568-Y572 WeakPolarHBondContact O-CA 3.2Å; C568-Y572 PolarHBondContact O-N 3.42Å; Y572-W578 HydrophobicContact CD2-CH2 4.47Å; Y572-W578 AromaticContact CD2-CZ2 3.7Å; Y572-W578 HydrophobicContact CD2-CZ2 3.7Å; Y572-W578 AromaticContact CE2-CH2 3.94Å; Y572-W578 HydrophobicContact CE2-CH2 3.94Å; Y572-W578 AromaticContact CE2-CZ2 3.4Å; Y572-W578 HydrophobicContact CE2-CZ2 3.4Å; Y572-W578 PolarHBondContact O-NE1 3.44Å; Y572-Y596 PolarHBondContact OH-OH 3.28Å; Y572-Y596 VanDerWaalsContact OH-OH 3.06Å; Y572-R600 PolarHBondContact OH-NE 3.02Å
573	E	86.3	Confident	89.2	Confident	159 Å²	159	54.3 Å²	54.3	74%	0.743	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-6.7	-177.6	-58.9	-166.6	159.2	0	0	113.6	S571 W575 L604	S571-E573 VanDerWaalsContact C-N 3.3Å; S571-E573 PolarHBondContact O-N 2.85Å; E573-W575 PolarHBondContact O-N 3.22Å; E573-L604 HydrophobicContact CB-CD2 4.47Å
574	N	86.8	Confident	89.2	Confident	26 Å²	26	53.9 Å²	53.9	14%	0.139	24%	0.24	C	C	.	.			trans	-80	105.9	-178.5	-172.3	-10.7	0	0	0	111.2	F541 S571 R576 I577	F541-N574 WeakPolarHBondContact CE2-ND2 3.33Å; S571-N574 PolarHBondContact O-N 3.15Å; S571-N574 VanDerWaalsContact OG-CB 3.25Å; S571-N574 WeakPolarHBondContact OG-CB 3.32Å; N574-R576 PolarHBondContact O-N 3.45Å; N574-R576 VanDerWaalsContact O-N 3.15Å; N574-R576 WeakPolarHBondContact OD1-CB 3.46Å; N574-R576 PolarHBondContact OD1-N 3.37Å; N574-R576 VanDerWaalsContact OD1-N 3.11Å; N574-I577 HydrophobicContact CB-CD1 4.03Å; N574-I577 HydrophobicContact CB-CG1 4.18Å; N574-I577 PolarHBondContact O-N 3Å; N574-I577 VanDerWaalsContact O-N 3.16Å
575	W	90	Very high	89.3	Confident	85 Å²	85	53.8 Å²	53.8	32%	0.322	24%	0.24	S	C	.	.	H	α-helix	trans	-57.1	-29.6	180	68	-96.6	0	0	0	113.7	E573 I577 W578 E579 L601 L604 Q605	E573-W575 PolarHBondContact O-N 3.22Å; W575-I577 VanDerWaalsContact C-N 3.31Å; W575-I577 PolarHBondContact O-N 3.47Å; W575-W578 PolarHBondContact O-N 3.18Å; W575-E579 WeakPolarHBondContact CZ3-OE2 3.26Å; W575-E579 PolarHBondContact O-N 3.43Å; W575-L601 HydrophobicContact CB-CD2 4.19Å; W575-L601 VanDerWaalsContact O-CD2 3.25Å; W575-L601 WeakPolarHBondContact O-CD2 3.08Å; W575-L604 HydrophobicContact CB-CB 4.31Å; W575-L604 HydrophobicContact CB-CD1 4.23Å; W575-Q605 HydrophobicContact CB-CG 4.08Å; W575-Q605 HydrophobicContact CG-CG 4.25Å
576	R	90.2	Very high	89.3	Confident	146 Å²	146	50.6 Å²	50.6	55%	0.551	23%	0.227	S	C	*	.	H	α-helix	trans	-65.8	-35.1	-179.5	-64.1	-175.2	-179.4	88.2	-4	112.1	N574 E579 N580	N574-R576 PolarHBondContact O-N 3.45Å; N574-R576 VanDerWaalsContact O-N 3.15Å; N574-R576 WeakPolarHBondContact OD1-CB 3.46Å; N574-R576 PolarHBondContact OD1-N 3.37Å; N574-R576 VanDerWaalsContact OD1-N 3.11Å; R576-E579 PolarHBondContact O-N 3.29Å; R576-N580 PolarHBondContact O-N 2.69Å
577	I	89.3	Confident	89.3	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-66.6	-44.7	176.7	-60.7	178.3	0	0	0	109.3	F541 M564 A567 C568 N574 W575 E579 N580 I581	F541-I577 HydrophobicContact CB-CD1 4.08Å; F541-I577 HydrophobicContact CD2-CD1 3.97Å; F541-I577 HydrophobicContact CG-CD1 4.32Å; M564-I577 HydrophobicContact CG-CG2 4.22Å; A567-I577 HydrophobicContact CB-CD1 4.42Å; A567-I577 HydrophobicContact CB-CG2 4.24Å; C568-I577 HydrophobicContact CB-CG2 3.98Å; N574-I577 HydrophobicContact CB-CD1 4.03Å; N574-I577 HydrophobicContact CB-CG1 4.18Å; N574-I577 PolarHBondContact O-N 3Å; N574-I577 VanDerWaalsContact O-N 3.16Å; W575-I577 VanDerWaalsContact C-N 3.31Å; W575-I577 PolarHBondContact O-N 3.47Å; I577-E579 VanDerWaalsContact C-N 3.32Å; I577-E579 PolarHBondContact O-N 2.87Å; I577-N580 PolarHBondContact O-N 2.99Å; I577-I581 HydrophobicContact CG2-CD1 3.97Å; I577-I581 HydrophobicContact CG2-CG1 4.43Å; I577-I581 VanDerWaalsContact O-CG1 3.31Å; I577-I581 WeakPolarHBondContact O-CG1 3.09Å; I577-I581 PolarHBondContact O-N 2.89Å
578	W	93.6	Very high	89.4	Confident	12 Å²	12	52.5 Å²	52.5	5%	0.045	24%	0.24	C	C	.	.	H	α-helix	trans	-63.1	-37.3	176.9	-70.5	106.1	0	0	0	113.2	C568 Y572 W575 I581 L582 Y596 A597 R600 L601 L604	C568-W578 WeakPolarHBondContact SG-CH2 3.49Å; C568-W578 WeakPolarHBondContact SG-CZ2 3.14Å; Y572-W578 HydrophobicContact CD2-CH2 4.47Å; Y572-W578 AromaticContact CD2-CZ2 3.7Å; Y572-W578 HydrophobicContact CD2-CZ2 3.7Å; Y572-W578 AromaticContact CE2-CH2 3.94Å; Y572-W578 HydrophobicContact CE2-CH2 3.94Å; Y572-W578 AromaticContact CE2-CZ2 3.4Å; Y572-W578 HydrophobicContact CE2-CZ2 3.4Å; Y572-W578 PolarHBondContact O-NE1 3.44Å; W575-W578 PolarHBondContact O-N 3.18Å; W578-I581 HydrophobicContact CE3-CD1 4.09Å; W578-I581 HydrophobicContact CZ3-CD1 4.3Å; W578-I581 PolarHBondContact O-N 3.42Å; W578-L582 WeakPolarHBondContact O-CB 3.28Å; W578-L582 PolarHBondContact O-N 3.14Å; W578-Y596 HydrophobicContact CH2-CD1 4.23Å; W578-Y596 AromaticContact CH2-CE1 3.58Å; W578-Y596 HydrophobicContact CH2-CE1 3.58Å; W578-Y596 AromaticContact CZ3-CD1 3.96Å; W578-Y596 HydrophobicContact CZ3-CD1 3.96Å; W578-Y596 AromaticContact CZ3-CE1 3.8Å; W578-Y596 HydrophobicContact CZ3-CE1 3.8Å; W578-A597 HydrophobicContact CE3-CB 3.88Å; W578-A597 HydrophobicContact CZ3-CB 4.36Å; W578-R600 HydrophobicContact CD2-CB 3.89Å; W578-R600 HydrophobicContact CD2-CG 4.47Å; W578-R600 HydrophobicContact CE3-CB 4.1Å; W578-R600 HydrophobicContact CE3-CG 4.39Å; W578-R600 HydrophobicContact CG-CB 4.37Å; W578-R600 HydrophobicContact CH2-CB 4.48Å; W578-R600 HydrophobicContact CH2-CG 4.01Å; W578-R600 HydrophobicContact CZ2-CB 4.24Å; W578-R600 HydrophobicContact CZ2-CG 4.03Å; W578-R600 HydrophobicContact CZ3-CB 4.39Å; W578-R600 HydrophobicContact CZ3-CG 4.18Å; W578-L601 HydrophobicContact CB-CD1 4.3Å; W578-L601 HydrophobicContact CB-CD2 3.58Å; W578-L601 HydrophobicContact CB-CG 3.67Å; W578-L604 VanDerWaalsContact CD1-CD1 3.42Å; W578-L604 HydrophobicContact CG-CD1 4.35Å
579	E	92.4	Very high	89.4	Confident	55 Å²	55	56.1 Å²	56.1	26%	0.257	26%	0.255	S	S	.	.	H	α-helix	trans	-63.7	-44.3	174.4	-179.3	165	-125.2	0	0	111.1	W575 R576 I577 I581 L582 L583 L601 Y608	W575-E579 WeakPolarHBondContact CZ3-OE2 3.26Å; W575-E579 PolarHBondContact O-N 3.43Å; R576-E579 PolarHBondContact O-N 3.29Å; I577-E579 VanDerWaalsContact C-N 3.32Å; I577-E579 PolarHBondContact O-N 2.87Å; E579-I581 PolarHBondContact O-N 2.96Å; E579-L582 WeakPolarHBondContact O-CB 3.16Å; E579-L582 PolarHBondContact O-N 3.37Å; E579-L583 HydrophobicContact CG-CD1 4.28Å; E579-L583 WeakPolarHBondContact O-CG 3.37Å; E579-L583 PolarHBondContact O-N 3.3Å; E579-L601 HydrophobicContact CB-CD1 4.48Å; E579-L601 HydrophobicContact CB-CD2 4.28Å; E579-Y608 PolarHBondContact OE1-OH 3.32Å
580	N	91	Very high	89.6	Confident	47 Å²	47	49.6 Å²	49.6	25%	0.251	23%	0.227	S	C	.	.	H	α-helix	trans	-64.8	-40.5	175.4	-68.3	-19	0	0	0	112.3	N545 M564 R576 I577 L582 L583 I584	N545-N580 PolarHBondContact OD1-ND2 2.86Å; M564-N580 HydrophobicContact CE-CB 3.76Å; M564-N580 HydrophobicContact CG-CB 4.28Å; M564-N580 HydrophobicContact SD-CB 4.26Å; R576-N580 PolarHBondContact O-N 2.69Å; I577-N580 PolarHBondContact O-N 2.99Å; N580-L582 VanDerWaalsContact C-N 3.31Å; N580-L582 PolarHBondContact O-N 3.39Å; N580-L583 PolarHBondContact O-N 2.91Å; N580-I584 WeakPolarHBondContact O-CB 3.27Å; N580-I584 WeakPolarHBondContact O-CD1 3.5Å; N580-I584 WeakPolarHBondContact O-CG1 3.41Å; N580-I584 PolarHBondContact O-N 2.86Å
581	I	93.7	Very high	90	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-57.9	-47.5	173.4	-70	169.6	0	0	0	109.8	L561 M564 C568 I577 W578 E579 L583 I584 S585 A597	L561-I581 HydrophobicContact CD1-CG2 4.14Å; M564-I581 HydrophobicContact CB-CG1 3.81Å; M564-I581 HydrophobicContact CG-CD1 4.33Å; M564-I581 HydrophobicContact CG-CG1 3.47Å; M564-I581 VanDerWaalsContact CG-CG1 3.47Å; C568-I581 HydrophobicContact CB-CD1 3.85Å; I577-I581 HydrophobicContact CG2-CD1 3.97Å; I577-I581 HydrophobicContact CG2-CG1 4.43Å; I577-I581 VanDerWaalsContact O-CG1 3.31Å; I577-I581 WeakPolarHBondContact O-CG1 3.09Å; I577-I581 PolarHBondContact O-N 2.89Å; W578-I581 HydrophobicContact CE3-CD1 4.09Å; W578-I581 HydrophobicContact CZ3-CD1 4.3Å; W578-I581 PolarHBondContact O-N 3.42Å; E579-I581 PolarHBondContact O-N 2.96Å; I581-L583 PolarHBondContact O-N 2.75Å; I581-I584 PolarHBondContact O-N 3.49Å; I581-S585 WeakPolarHBondContact O-CB 3.15Å; I581-S585 PolarHBondContact O-N 3.18Å; I581-S585 PolarHBondContact O-OG 2.77Å; I581-A597 HydrophobicContact CG2-CB 3.98Å
582	L	94.2	Very high	90.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.2	-48.5	-179.5	-180	76.5	0	0	0	111.7	W578 E579 N580 S585 A586 T594 A597 Y598 L601 Y608 V613	W578-L582 WeakPolarHBondContact O-CB 3.28Å; W578-L582 PolarHBondContact O-N 3.14Å; E579-L582 WeakPolarHBondContact O-CB 3.16Å; E579-L582 PolarHBondContact O-N 3.37Å; N580-L582 VanDerWaalsContact C-N 3.31Å; N580-L582 PolarHBondContact O-N 3.39Å; L582-S585 PolarHBondContact O-OG 3.16Å; L582-A586 VanDerWaalsContact O-CB 3.23Å; L582-A586 WeakPolarHBondContact O-CB 3.25Å; L582-A586 PolarHBondContact O-N 3.06Å; L582-T594 HydrophobicContact CD1-CG2 3.47Å; L582-T594 VanDerWaalsContact CD1-CG2 3.47Å; L582-T594 WeakPolarHBondContact CD1-O 3.37Å; L582-T594 HydrophobicContact CG-CG2 4.42Å; L582-A597 HydrophobicContact CB-CB 4.23Å; L582-A597 HydrophobicContact CD1-CB 4.3Å; L582-Y598 HydrophobicContact CD1-CD2 3.72Å; L582-Y598 HydrophobicContact CD1-CG 4.22Å; L582-Y598 HydrophobicContact CD2-CD2 3.91Å; L582-Y598 HydrophobicContact CD2-CE2 4.23Å; L582-Y598 HydrophobicContact CG-CD2 4.47Å; L582-L601 HydrophobicContact CB-CD1 4.13Å; L582-L601 HydrophobicContact CD2-CD1 3.82Å; L582-L601 HydrophobicContact CG-CD1 4.49Å; L582-Y608 HydrophobicContact CD2-CE1 3.64Å; L582-Y608 WeakPolarHBondContact CD2-OH 3.38Å; L582-V613 HydrophobicContact CD1-CG1 4.01Å; L582-V613 HydrophobicContact CD2-CG1 4.27Å; L582-V613 HydrophobicContact CD2-CG2 4.47Å; L582-V613 HydrophobicContact CG-CG1 4.03Å
583	L	92.7	Very high	90.6	Very high	79 Å²	79	45.6 Å²	45.6	41%	0.414	21%	0.212	S	C	.	.	H	α-helix	trans	-65	-45.3	-179.3	-67	173.7	0	0	0	111.3	E579 N580 I581 D587 V613	E579-L583 HydrophobicContact CG-CD1 4.28Å; E579-L583 WeakPolarHBondContact O-CG 3.37Å; E579-L583 PolarHBondContact O-N 3.3Å; N580-L583 PolarHBondContact O-N 2.91Å; I581-L583 PolarHBondContact O-N 2.75Å; L583-D587 WeakPolarHBondContact O-CB 3.45Å; L583-D587 PolarHBondContact O-N 3.27Å; L583-D587 VanDerWaalsContact O-N 3.16Å; L583-V613 HydrophobicContact CD2-CG2 4.05Å
584	I	91.8	Very high	90.9	Very high	9 Å²	9	38 Å²	38	5%	0.046	18%	0.177	C	C	.	.	H	α-helix	trans	-68.4	-41.5	179.8	-63.2	167.6	0	0	0	110.8	L552 L561 M564 N580 I581 D587 V588	L552-I584 HydrophobicContact CD1-CG1 4.36Å; L552-I584 HydrophobicContact CD2-CD1 4.3Å; L552-I584 HydrophobicContact CD2-CG1 4.09Å; L561-I584 HydrophobicContact CB-CG2 3.86Å; L561-I584 HydrophobicContact CD1-CG2 4.27Å; M564-I584 HydrophobicContact CE-CD1 3.81Å; N580-I584 WeakPolarHBondContact O-CB 3.27Å; N580-I584 WeakPolarHBondContact O-CD1 3.5Å; N580-I584 WeakPolarHBondContact O-CG1 3.41Å; N580-I584 PolarHBondContact O-N 2.86Å; I581-I584 PolarHBondContact O-N 3.49Å; I584-D587 PolarHBondContact O-N 3Å; I584-V588 HydrophobicContact CG2-CG2 4.35Å; I584-V588 WeakPolarHBondContact O-CB 3.35Å; I584-V588 VanDerWaalsContact O-CG2 3.28Å; I584-V588 WeakPolarHBondContact O-CG2 3.43Å; I584-V588 PolarHBondContact O-N 3.26Å
585	S	92.6	Very high	91.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-69.5	-36.2	-179.5	69.1	0	0	0	0	112	I581 L582 V588 K589 A590 T594	I581-S585 WeakPolarHBondContact O-CB 3.15Å; I581-S585 PolarHBondContact O-N 3.18Å; I581-S585 PolarHBondContact O-OG 2.77Å; L582-S585 PolarHBondContact O-OG 3.16Å; S585-V588 PolarHBondContact O-N 3.29Å; S585-K589 PolarHBondContact O-N 3.46Å; S585-A590 PolarHBondContact O-N 2.91Å; S585-T594 VanDerWaalsContact C-OG1 3.25Å; S585-T594 WeakPolarHBondContact CB-OG1 3.36Å; S585-T594 PolarHBondContact O-OG1 3.1Å; S585-T594 VanDerWaalsContact OG-CA 3.27Å; S585-T594 WeakPolarHBondContact OG-CA 3.45Å; S585-T594 WeakPolarHBondContact OG-CB 3.5Å; S585-T594 PolarHBondContact OG-N 2.65Å; S585-T594 PolarHBondContact OG-OG1 3.44Å
586	A	90.5	Very high	91.4	Very high	9 Å²	9	38.6 Å²	38.6	7%	0.074	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-42.8	173.3	0	0	0	0	0	111.5	L582 K589 T594 V613	L582-A586 VanDerWaalsContact O-CB 3.23Å; L582-A586 WeakPolarHBondContact O-CB 3.25Å; L582-A586 PolarHBondContact O-N 3.06Å; A586-K589 PolarHBondContact O-N 2.71Å; A586-T594 HydrophobicContact CB-CG2 4.04Å; A586-T594 PolarHBondContact N-OG1 3.14Å; A586-V613 HydrophobicContact CB-CG1 3.96Å; A586-V613 HydrophobicContact CB-CG2 4.4Å
587	D	89.2	Confident	91.5	Very high	84 Å²	84	31.6 Å²	31.6	45%	0.449	15%	0.152	S	C	.	.	H	α-helix	trans	-70.2	-34.3	178.8	-173.3	24	0	0	0	112.8	K557 L583 I584 K589	K557-D587 WeakPolarHBondContact CD-OD2 3.46Å; K557-D587 WeakPolarHBondContact CE-OD2 3.5Å; K557-D587 IonicContact NZ-OD1 2.71Å; K557-D587 PolarHBondContact NZ-OD1 3.06Å; K557-D587 IonicContact NZ-OD2 2.71Å; K557-D587 PolarHBondContact NZ-OD2 2.68Å; L583-D587 WeakPolarHBondContact O-CB 3.45Å; L583-D587 PolarHBondContact O-N 3.27Å; L583-D587 VanDerWaalsContact O-N 3.16Å; I584-D587 PolarHBondContact O-N 3Å; D587-K589 VanDerWaalsContact C-N 3.26Å; D587-K589 PolarHBondContact O-N 3.44Å
588	V	90	Very high	91.8	Very high	20 Å²	20	31.5 Å²	31.5	12%	0.121	15%	0.151	C	C	.	.	H	α-helix	trans	-76	-12	173.4	170.3	0	0	0	0	112.9	K557 N558 L561 I584 S585 A590	K557-V588 HydrophobicContact CB-CG2 3.46Å; K557-V588 VanDerWaalsContact CB-CG2 3.46Å; K557-V588 HydrophobicContact CD-CG2 4.49Å; N558-V588 WeakPolarHBondContact OD1-CG1 3.46Å; L561-V588 HydrophobicContact CD2-CG1 4.48Å; I584-V588 HydrophobicContact CG2-CG2 4.35Å; I584-V588 WeakPolarHBondContact O-CB 3.35Å; I584-V588 VanDerWaalsContact O-CG2 3.28Å; I584-V588 WeakPolarHBondContact O-CG2 3.43Å; I584-V588 PolarHBondContact O-N 3.26Å; S585-V588 PolarHBondContact O-N 3.29Å; V588-A590 VanDerWaalsContact C-N 3.31Å; V588-A590 HydrophobicContact CG1-CB 4.28Å
589	K	88.9	Confident	91.9	Very high	84 Å²	84	32.1 Å²	32.1	37%	0.365	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	37.7	-169.8	-49.6	-174.4	176.3	-160.3	0	113	S585 A586 D587 F591 E625 S628	S585-K589 PolarHBondContact O-N 3.46Å; A586-K589 PolarHBondContact O-N 2.71Å; D587-K589 VanDerWaalsContact C-N 3.26Å; D587-K589 PolarHBondContact O-N 3.44Å; K589-F591 VanDerWaalsContact C-N 3.31Å; K589-F591 HydrophobicContact CB-CE1 4.35Å; K589-F591 HydrophobicContact CB-CE2 4.16Å; K589-F591 HydrophobicContact CB-CZ 3.9Å; K589-F591 HydrophobicContact CD-CZ 4.5Å; K589-F591 HydrophobicContact CG-CZ 4.21Å; K589-F591 PolarHBondContact O-N 3.03Å; K589-E625 WeakPolarHBondContact CD-OE2 3.39Å; K589-E625 WeakPolarHBondContact CE-OE2 3.37Å; K589-E625 IonicContact NZ-OE1 3.06Å; K589-E625 PolarHBondContact NZ-OE1 3.13Å; K589-E625 IonicContact NZ-OE2 3.56Å; K589-E625 PolarHBondContact NZ-OE2 3.29Å; K589-S628 PolarHBondContact O-N 3.14Å
590	A	89.6	Confident	91.9	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.008	15%	0.151	C	C	.	.			trans	-89.6	68.8	168.5	0	0	0	0	0	109.3	L561 S585 V588 H592 E593 T594	L561-A590 HydrophobicContact CD2-CB 4.02Å; S585-A590 PolarHBondContact O-N 2.91Å; V588-A590 VanDerWaalsContact C-N 3.31Å; V588-A590 HydrophobicContact CG1-CB 4.28Å; A590-H592 VanDerWaalsContact C-N 3.31Å; A590-H592 PolarHBondContact O-N 3.47Å; A590-E593 PolarHBondContact O-N 3.02Å; A590-T594 PolarHBondContact O-N 2.84Å; A590-T594 PolarHBondContact O-OG1 3Å
591	F	89.2	Confident	92	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.013	14%	0.139	C	C	.	.	H	α-helix	trans	-62.2	-34.6	-168.3	-61.7	-54.5	0	0	0	113.6	K589 E593 T594 I595 V616 M617 E625 D627 A633 L636	K589-F591 VanDerWaalsContact C-N 3.31Å; K589-F591 HydrophobicContact CB-CE1 4.35Å; K589-F591 HydrophobicContact CB-CE2 4.16Å; K589-F591 HydrophobicContact CB-CZ 3.9Å; K589-F591 HydrophobicContact CD-CZ 4.5Å; K589-F591 HydrophobicContact CG-CZ 4.21Å; K589-F591 PolarHBondContact O-N 3.03Å; F591-E593 VanDerWaalsContact C-N 3.35Å; F591-E593 PolarHBondContact O-N 2.66Å; F591-T594 PolarHBondContact O-N 3.12Å; F591-I595 WeakPolarHBondContact O-CG1 3.46Å; F591-I595 PolarHBondContact O-N 3.39Å; F591-V616 HydrophobicContact CE1-CG1 4.43Å; F591-M617 HydrophobicContact CD1-CG 4.21Å; F591-E625 HydrophobicContact CE2-CB 4.49Å; F591-D627 WeakPolarHBondContact CD2-OD1 3.39Å; F591-A633 HydrophobicContact CD2-CB 3.79Å; F591-A633 HydrophobicContact CE2-CB 3.94Å; F591-L636 HydrophobicContact CB-CD1 3.54Å
592	H	90.3	Very high	91.9	Very high	83 Å²	83	29.7 Å²	29.7	38%	0.384	14%	0.139	S	C	.	.	H	α-helix	trans	-58.9	-47.2	176.9	-177.6	-81.7	0	0	0	111.5	A590 Y596 L636 K639	A590-H592 VanDerWaalsContact C-N 3.31Å; A590-H592 PolarHBondContact O-N 3.47Å; H592-Y596 PolarHBondContact O-N 2.95Å; H592-Y596 VanDerWaalsContact O-N 3.17Å; H592-L636 HydrophobicContact CB-CD1 4.18Å; H592-L636 HydrophobicContact CB-CD2 4.18Å; H592-K639 PolarHBondContact CD2-NZ 2.98Å; H592-K639 PolarHBondContact NE2-NZ 3.49Å
593	E	90.6	Very high	91.8	Very high	48 Å²	48	33.5 Å²	33.5	22%	0.224	16%	0.16	C	C	.	.	H	α-helix	trans	-69	-36.7	176	-70.7	97.5	145.5	0	0	113.2	K565 A590 F591 I595 Y596 A597	K565-E593 IonicContact NZ-OE1 2.7Å; K565-E593 PolarHBondContact NZ-OE1 3.35Å; A590-E593 PolarHBondContact O-N 3.02Å; F591-E593 VanDerWaalsContact C-N 3.35Å; F591-E593 PolarHBondContact O-N 2.66Å; E593-I595 VanDerWaalsContact C-N 3.33Å; E593-I595 PolarHBondContact O-N 3.49Å; E593-Y596 PolarHBondContact O-N 2.67Å; E593-A597 WeakPolarHBondContact O-CB 3.36Å; E593-A597 PolarHBondContact O-N 3.3Å
594	T	93.2	Very high	91.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.7	-47.3	174.6	-53.3	0	0	0	0	110.8	L582 S585 A586 A590 F591 Y596 A597 Y598 V613 M617	L582-T594 HydrophobicContact CD1-CG2 3.47Å; L582-T594 VanDerWaalsContact CD1-CG2 3.47Å; L582-T594 WeakPolarHBondContact CD1-O 3.37Å; L582-T594 HydrophobicContact CG-CG2 4.42Å; S585-T594 VanDerWaalsContact C-OG1 3.25Å; S585-T594 WeakPolarHBondContact CB-OG1 3.36Å; S585-T594 PolarHBondContact O-OG1 3.1Å; S585-T594 VanDerWaalsContact OG-CA 3.27Å; S585-T594 WeakPolarHBondContact OG-CA 3.45Å; S585-T594 WeakPolarHBondContact OG-CB 3.5Å; S585-T594 PolarHBondContact OG-N 2.65Å; S585-T594 PolarHBondContact OG-OG1 3.44Å; A586-T594 HydrophobicContact CB-CG2 4.04Å; A586-T594 PolarHBondContact N-OG1 3.14Å; A590-T594 PolarHBondContact O-N 2.84Å; A590-T594 PolarHBondContact O-OG1 3Å; F591-T594 PolarHBondContact O-N 3.12Å; T594-Y596 PolarHBondContact O-N 2.95Å; T594-A597 PolarHBondContact O-N 2.84Å; T594-Y598 WeakPolarHBondContact O-CB 3.36Å; T594-Y598 PolarHBondContact O-N 3.33Å; T594-V613 HydrophobicContact CG2-CG1 3.77Å; T594-M617 HydrophobicContact CG2-CE 3.78Å; T594-M617 HydrophobicContact CG2-CG 4.1Å; T594-M617 HydrophobicContact CG2-SD 3.61Å
595	I	93.1	Very high	91.7	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.041	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-45.9	177.9	-67.6	166.9	0	0	0	110.9	F591 E593 Y598 H599 M617 L636 K639 L640 L643	F591-I595 WeakPolarHBondContact O-CG1 3.46Å; F591-I595 PolarHBondContact O-N 3.39Å; E593-I595 VanDerWaalsContact C-N 3.33Å; E593-I595 PolarHBondContact O-N 3.49Å; I595-Y598 PolarHBondContact O-N 3.01Å; I595-H599 PolarHBondContact O-CD2 3.28Å; I595-H599 VanDerWaalsContact O-CD2 3.26Å; I595-H599 PolarHBondContact O-N 3.31Å; I595-M617 HydrophobicContact CG1-SD 3.78Å; I595-L636 HydrophobicContact CD1-CB 3.98Å; I595-L636 HydrophobicContact CD1-CD1 4.44Å; I595-K639 HydrophobicContact CD1-CB 4.28Å; I595-K639 HydrophobicContact CG2-CB 4.29Å; I595-L640 HydrophobicContact CD1-CB 4.24Å; I595-L640 HydrophobicContact CG1-CD1 4.4Å; I595-L643 HydrophobicContact CG1-CD2 4.49Å; I595-L643 HydrophobicContact CG2-CD2 4.43Å
596	Y	93.5	Very high	91.3	Very high	114 Å²	114	37.4 Å²	37.4	45%	0.447	19%	0.19	S	C	.	.	H	α-helix	trans	-61.7	-47.8	179.1	-180	-104.7	0	0	0	112.1	Y572 W578 H592 E593 T594 Y598 H599 R600	Y572-Y596 PolarHBondContact OH-OH 3.28Å; Y572-Y596 VanDerWaalsContact OH-OH 3.06Å; W578-Y596 HydrophobicContact CH2-CD1 4.23Å; W578-Y596 AromaticContact CH2-CE1 3.58Å; W578-Y596 HydrophobicContact CH2-CE1 3.58Å; W578-Y596 AromaticContact CZ3-CD1 3.96Å; W578-Y596 HydrophobicContact CZ3-CD1 3.96Å; W578-Y596 AromaticContact CZ3-CE1 3.8Å; W578-Y596 HydrophobicContact CZ3-CE1 3.8Å; H592-Y596 PolarHBondContact O-N 2.95Å; H592-Y596 VanDerWaalsContact O-N 3.17Å; E593-Y596 PolarHBondContact O-N 2.67Å; T594-Y596 PolarHBondContact O-N 2.95Å; Y596-Y598 VanDerWaalsContact C-N 3.26Å; Y596-Y598 PolarHBondContact O-N 2.9Å; Y596-H599 PolarHBondContact O-N 3.47Å; Y596-R600 HydrophobicContact CD1-CG 4.45Å; Y596-R600 HydrophobicContact CE1-CG 4.05Å; Y596-R600 HydrophobicContact CE2-CG 4.37Å; Y596-R600 WeakPolarHBondContact O-CG 3.18Å; Y596-R600 PolarHBondContact O-N 3.45Å; Y596-R600 VanDerWaalsContact O-N 3.09Å
597	A	93.3	Very high	91.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-38.6	177.3	0	0	0	0	0	111.7	W578 I581 L582 E593 T594 R600 L601	W578-A597 HydrophobicContact CE3-CB 3.88Å; W578-A597 HydrophobicContact CZ3-CB 4.36Å; I581-A597 HydrophobicContact CG2-CB 3.98Å; L582-A597 HydrophobicContact CB-CB 4.23Å; L582-A597 HydrophobicContact CD1-CB 4.3Å; E593-A597 WeakPolarHBondContact O-CB 3.36Å; E593-A597 PolarHBondContact O-N 3.3Å; T594-A597 PolarHBondContact O-N 2.84Å; A597-R600 PolarHBondContact O-N 3.28Å; A597-L601 WeakPolarHBondContact O-CG 3.47Å; A597-L601 PolarHBondContact O-N 3.08Å
598	Y	95.3	Very high	91	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.1	-46.4	177	-148.6	-58.3	0	0	0	112	L582 T594 I595 Y596 R600 L601 L602 Y608 A609 N610 L614 M617 L643 V647	L582-Y598 HydrophobicContact CD1-CD2 3.72Å; L582-Y598 HydrophobicContact CD1-CG 4.22Å; L582-Y598 HydrophobicContact CD2-CD2 3.91Å; L582-Y598 HydrophobicContact CD2-CE2 4.23Å; L582-Y598 HydrophobicContact CG-CD2 4.47Å; T594-Y598 WeakPolarHBondContact O-CB 3.36Å; T594-Y598 PolarHBondContact O-N 3.33Å; I595-Y598 PolarHBondContact O-N 3.01Å; Y596-Y598 VanDerWaalsContact C-N 3.26Å; Y596-Y598 PolarHBondContact O-N 2.9Å; Y598-R600 VanDerWaalsContact C-N 3.28Å; Y598-R600 PolarHBondContact O-N 2.82Å; Y598-L601 PolarHBondContact O-N 3.22Å; Y598-L602 HydrophobicContact CD1-CD1 3.99Å; Y598-L602 HydrophobicContact CD1-CG 4.05Å; Y598-L602 HydrophobicContact CE1-CD1 4.26Å; Y598-L602 HydrophobicContact CE1-CD2 4.39Å; Y598-L602 HydrophobicContact CE1-CG 4.2Å; Y598-L602 WeakPolarHBondContact O-CG 3.39Å; Y598-L602 PolarHBondContact O-N 3.49Å; Y598-Y608 HydrophobicContact CD1-CD1 4.05Å; Y598-Y608 HydrophobicContact CD1-CE1 4.47Å; Y598-Y608 AromaticContact CE1-CD1 3.59Å; Y598-Y608 HydrophobicContact CE1-CD1 3.59Å; Y598-Y608 HydrophobicContact CE1-CE1 4.1Å; Y598-Y608 HydrophobicContact CE2-CD1 4.45Å; Y598-Y608 HydrophobicContact CE2-CE1 4.14Å; Y598-Y608 AromaticContact CZ-CD1 3.82Å; Y598-Y608 AromaticContact CZ-CE1 3.93Å; Y598-A609 WeakPolarHBondContact OH-CA 3.27Å; Y598-N610 HydrophobicContact CE2-CB 4.4Å; Y598-N610 PolarHBondContact OH-N 2.56Å; Y598-L614 HydrophobicContact CD2-CD2 4.41Å; Y598-L614 HydrophobicContact CE2-CD1 4.4Å; Y598-L614 HydrophobicContact CE2-CD2 3.91Å; Y598-L614 HydrophobicContact CE2-CG 3.88Å; Y598-M617 HydrophobicContact CD2-CE 3.85Å; Y598-M617 HydrophobicContact CE2-CE 4.35Å; Y598-L643 HydrophobicContact CD1-CD1 3.69Å; Y598-L643 HydrophobicContact CD1-CD2 4.35Å; Y598-L643 HydrophobicContact CD1-CG 4.44Å; Y598-L643 HydrophobicContact CD2-CD2 4.23Å; Y598-L643 HydrophobicContact CE1-CD1 4.49Å; Y598-L643 HydrophobicContact CG-CD1 3.95Å; Y598-L643 HydrophobicContact CG-CD2 3.89Å; Y598-L643 HydrophobicContact CG-CG 4.45Å; Y598-V647 HydrophobicContact CD1-CG2 4.1Å; Y598-V647 HydrophobicContact CE1-CG2 3.52Å
599	H	94.7	Very high	90.8	Very high	24 Å²	24	42.2 Å²	42.2	11%	0.111	21%	0.21	C	C	.	.	H	α-helix	trans	-58.1	-41.5	175.1	-79.4	-64.1	0	0	0	112.2	I595 Y596 L602 D603 R646	I595-H599 PolarHBondContact O-CD2 3.28Å; I595-H599 VanDerWaalsContact O-CD2 3.26Å; I595-H599 PolarHBondContact O-N 3.31Å; Y596-H599 PolarHBondContact O-N 3.47Å; H599-L602 WeakPolarHBondContact O-CB 3.42Å; H599-L602 PolarHBondContact O-N 2.79Å; H599-D603 VanDerWaalsContact O-CG 3.24Å; H599-D603 PolarHBondContact O-N 3.24Å; H599-R646 PolarHBondContact ND1-NH1 2.95Å
600	R	92.5	Very high	90.9	Very high	48 Å²	48	39.4 Å²	39.4	18%	0.181	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-40.4	176.5	-66.5	-56.7	-59.2	159.3	-4.9	112.5	Y572 W578 Y596 A597 Y598 L602 D603 L604	Y572-R600 PolarHBondContact OH-NE 3.02Å; W578-R600 HydrophobicContact CD2-CB 3.89Å; W578-R600 HydrophobicContact CD2-CG 4.47Å; W578-R600 HydrophobicContact CE3-CB 4.1Å; W578-R600 HydrophobicContact CE3-CG 4.39Å; W578-R600 HydrophobicContact CG-CB 4.37Å; W578-R600 HydrophobicContact CH2-CB 4.48Å; W578-R600 HydrophobicContact CH2-CG 4.01Å; W578-R600 HydrophobicContact CZ2-CB 4.24Å; W578-R600 HydrophobicContact CZ2-CG 4.03Å; W578-R600 HydrophobicContact CZ3-CB 4.39Å; W578-R600 HydrophobicContact CZ3-CG 4.18Å; Y596-R600 HydrophobicContact CD1-CG 4.45Å; Y596-R600 HydrophobicContact CE1-CG 4.05Å; Y596-R600 HydrophobicContact CE2-CG 4.37Å; Y596-R600 WeakPolarHBondContact O-CG 3.18Å; Y596-R600 PolarHBondContact O-N 3.45Å; Y596-R600 VanDerWaalsContact O-N 3.09Å; A597-R600 PolarHBondContact O-N 3.28Å; Y598-R600 VanDerWaalsContact C-N 3.28Å; Y598-R600 PolarHBondContact O-N 2.82Å; R600-L602 VanDerWaalsContact C-N 3.32Å; R600-L602 PolarHBondContact O-N 3.31Å; R600-D603 IonicContact CZ-OD2 2.81Å; R600-D603 IonicContact NH1-OD2 2.64Å; R600-D603 PolarHBondContact NH1-OD2 3.5Å; R600-D603 WeakPolarHBondContact O-CB 3.34Å; R600-D603 PolarHBondContact O-N 3.45Å; R600-L604 WeakPolarHBondContact O-CG 3.34Å; R600-L604 PolarHBondContact O-N 2.94Å
601	L	93.2	Very high	90.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-40.8	174.1	-76.7	164.9	0	0	0	112.4	W575 W578 E579 L582 A597 Y598 D603 L604 Q605 Y608	W575-L601 HydrophobicContact CB-CD2 4.19Å; W575-L601 VanDerWaalsContact O-CD2 3.25Å; W575-L601 WeakPolarHBondContact O-CD2 3.08Å; W578-L601 HydrophobicContact CB-CD1 4.3Å; W578-L601 HydrophobicContact CB-CD2 3.58Å; W578-L601 HydrophobicContact CB-CG 3.67Å; E579-L601 HydrophobicContact CB-CD1 4.48Å; E579-L601 HydrophobicContact CB-CD2 4.28Å; L582-L601 HydrophobicContact CB-CD1 4.13Å; L582-L601 HydrophobicContact CD2-CD1 3.82Å; L582-L601 HydrophobicContact CG-CD1 4.49Å; A597-L601 WeakPolarHBondContact O-CG 3.47Å; A597-L601 PolarHBondContact O-N 3.08Å; Y598-L601 PolarHBondContact O-N 3.22Å; L601-D603 VanDerWaalsContact C-N 3.34Å; L601-L604 PolarHBondContact O-N 3.41Å; L601-Q605 WeakPolarHBondContact O-CB 3.26Å; L601-Q605 PolarHBondContact O-N 3.3Å; L601-Y608 HydrophobicContact CB-CD1 3.81Å; L601-Y608 HydrophobicContact CB-CE1 4.23Å; L601-Y608 HydrophobicContact CB-CG 4.05Å; L601-Y608 HydrophobicContact CD1-CD1 4.06Å; L601-Y608 HydrophobicContact CD1-CE1 3.58Å; L601-Y608 HydrophobicContact CD1-CE2 4.43Å; L601-Y608 HydrophobicContact CG-CE1 4.47Å
602	L	92.6	Very high	90.9	Very high	9 Å²	9	48.4 Å²	48.4	5%	0.047	24%	0.244	C	C	.	.	H	α-helix	trans	-63	-40.5	173.9	-70	169.2	0	0	0	111.9	Y598 H599 R600 L604 G606 Y608 L643 R646 V647	Y598-L602 HydrophobicContact CD1-CD1 3.99Å; Y598-L602 HydrophobicContact CD1-CG 4.05Å; Y598-L602 HydrophobicContact CE1-CD1 4.26Å; Y598-L602 HydrophobicContact CE1-CD2 4.39Å; Y598-L602 HydrophobicContact CE1-CG 4.2Å; Y598-L602 WeakPolarHBondContact O-CG 3.39Å; Y598-L602 PolarHBondContact O-N 3.49Å; H599-L602 WeakPolarHBondContact O-CB 3.42Å; H599-L602 PolarHBondContact O-N 2.79Å; R600-L602 VanDerWaalsContact C-N 3.32Å; R600-L602 PolarHBondContact O-N 3.31Å; L602-L604 VanDerWaalsContact C-N 3.33Å; L602-G606 WeakPolarHBondContact O-CA 3.27Å; L602-G606 PolarHBondContact O-N 3.06Å; L602-Y608 WeakPolarHBondContact CD2-O 3.25Å; L602-L643 HydrophobicContact CD1-CD1 3.87Å; L602-R646 HydrophobicContact CD1-CB 4.14Å; L602-V647 HydrophobicContact CD1-CG2 3.82Å
603	D	92.4	Very high	91	Very high	80 Å²	80	44.9 Å²	44.9	43%	0.428	23%	0.228	S	C	.	.	H	α-helix	trans	-62.7	-40.5	176.2	-62.7	-21.6	0	0	0	111.6	H599 R600 L601 R646	H599-D603 VanDerWaalsContact O-CG 3.24Å; H599-D603 PolarHBondContact O-N 3.24Å; R600-D603 IonicContact CZ-OD2 2.81Å; R600-D603 IonicContact NH1-OD2 2.64Å; R600-D603 PolarHBondContact NH1-OD2 3.5Å; R600-D603 WeakPolarHBondContact O-CB 3.34Å; R600-D603 PolarHBondContact O-N 3.45Å; L601-D603 VanDerWaalsContact C-N 3.34Å; D603-R646 IonicContact OD1-CZ 3.42Å; D603-R646 IonicContact OD1-NH1 3.99Å; D603-R646 IonicContact OD1-NH2 2.78Å; D603-R646 PolarHBondContact OD1-NH2 2.93Å
604	L	91.5	Very high	91	Very high	58 Å²	58	42.6 Å²	42.6	30%	0.304	22%	0.217	S	C	.	.	H	α-helix	trans	-80.5	-41.7	-174.2	-68.6	172.6	0	0	0	113.5	E573 W575 W578 R600 L601 L602	E573-L604 HydrophobicContact CB-CD2 4.47Å; W575-L604 HydrophobicContact CB-CB 4.31Å; W575-L604 HydrophobicContact CB-CD1 4.23Å; W578-L604 VanDerWaalsContact CD1-CD1 3.42Å; W578-L604 HydrophobicContact CG-CD1 4.35Å; R600-L604 WeakPolarHBondContact O-CG 3.34Å; R600-L604 PolarHBondContact O-N 2.94Å; L601-L604 PolarHBondContact O-N 3.41Å; L602-L604 VanDerWaalsContact C-N 3.33Å
605	Q	89.4	Confident	90.9	Very high	68 Å²	68	43.4 Å²	43.4	32%	0.318	22%	0.223	S	C	.	.	H	α-helix	trans	-98.8	-16.8	-176	-66.5	-170.3	-22.6	0	0	113.6	W575 L601 K607	W575-Q605 HydrophobicContact CB-CG 4.08Å; W575-Q605 HydrophobicContact CG-CG 4.25Å; L601-Q605 WeakPolarHBondContact O-CB 3.26Å; L601-Q605 PolarHBondContact O-N 3.3Å; Q605-K607 PolarHBondContact O-N 2.78Å
606	G	83.9	Confident	90.7	Very high	45 Å²	45	46.2 Å²	46.2	46%	0.464	24%	0.241	S	C	.	.	S	Bend	trans	72	-43.8	-173.2	0	0	0	0	0	114	L602 S650	L602-G606 WeakPolarHBondContact O-CA 3.27Å; L602-G606 PolarHBondContact O-N 3.06Å; G606-S650 WeakPolarHBondContact O-CB 3.38Å
607	K	86.3	Confident	90.5	Very high	162 Å²	162	40.9 Å²	40.9	70%	0.704	22%	0.22	S	C	*	.			trans	-121.7	107.1	174.8	-67.2	-178.5	179.1	178.2	0	109.9	Q605	Q605-K607 PolarHBondContact O-N 2.78Å
608	Y	87.8	Confident	90.3	Very high	15 Å²	15	41 Å²	41	6%	0.059	22%	0.22	C	C	.	.			trans	-140.3	127.4	174.7	-176.5	-103.2	0	0	0	110.9	E579 L582 Y598 L601 L602 N610	E579-Y608 PolarHBondContact OE1-OH 3.32Å; L582-Y608 HydrophobicContact CD2-CE1 3.64Å; L582-Y608 WeakPolarHBondContact CD2-OH 3.38Å; Y598-Y608 HydrophobicContact CD1-CD1 4.05Å; Y598-Y608 HydrophobicContact CD1-CE1 4.47Å; Y598-Y608 AromaticContact CE1-CD1 3.59Å; Y598-Y608 HydrophobicContact CE1-CD1 3.59Å; Y598-Y608 HydrophobicContact CE1-CE1 4.1Å; Y598-Y608 HydrophobicContact CE2-CD1 4.45Å; Y598-Y608 HydrophobicContact CE2-CE1 4.14Å; Y598-Y608 AromaticContact CZ-CD1 3.82Å; Y598-Y608 AromaticContact CZ-CE1 3.93Å; L601-Y608 HydrophobicContact CB-CD1 3.81Å; L601-Y608 HydrophobicContact CB-CE1 4.23Å; L601-Y608 HydrophobicContact CB-CG 4.05Å; L601-Y608 HydrophobicContact CD1-CD1 4.06Å; L601-Y608 HydrophobicContact CD1-CE1 3.58Å; L601-Y608 HydrophobicContact CD1-CE2 4.43Å; L601-Y608 HydrophobicContact CG-CE1 4.47Å; L602-Y608 WeakPolarHBondContact CD2-O 3.25Å; Y608-N610 HydrophobicContact CE1-CB 4.2Å
609	A	86	Confident	90	Very high	37 Å²	37	46.7 Å²	46.7	31%	0.306	25%	0.245	S	C	.	.			trans	-143.1	116.2	-176.7	0	0	0	0	0	110	Y598 T651 I657	Y598-A609 WeakPolarHBondContact OH-CA 3.27Å; A609-T651 HydrophobicContact CB-CG2 3.92Å; A609-I657 HydrophobicContact CB-CD1 3.72Å
610	N	90.5	Very high	89.5	Confident	24 Å²	24	45.6 Å²	45.6	13%	0.128	24%	0.24	C	C	.	.			trans	-125.1	92.7	172.1	-171.4	-30	0	0	0	109.2	Y598 Y608 Q612 V613 L614	Y598-N610 HydrophobicContact CE2-CB 4.4Å; Y598-N610 PolarHBondContact OH-N 2.56Å; Y608-N610 HydrophobicContact CE1-CB 4.2Å; N610-Q612 PolarHBondContact O-N 2.95Å; N610-Q612 PolarHBondContact OD1-N 3.39Å; N610-V613 HydrophobicContact CB-CB 4.32Å; N610-V613 HydrophobicContact CB-CG2 4.38Å; N610-V613 WeakPolarHBondContact ND2-CG2 3.45Å; N610-V613 PolarHBondContact O-N 2.83Å; N610-V613 PolarHBondContact OD1-N 2.88Å; N610-L614 PolarHBondContact O-N 3.47Å
611	P	88.5	Confident	89.2	Confident	36 Å²	36	43.5 Å²	43.5	23%	0.234	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-31.7	-176.8	-25.9	36	0	0	0	113.7	L614 S615 D654 V656 I657	P611-L614 PolarHBondContact O-N 3.32Å; P611-S615 WeakPolarHBondContact O-CB 3.44Å; P611-S615 PolarHBondContact O-N 2.88Å; P611-D654 WeakPolarHBondContact CG-OD2 3.48Å; P611-V656 HydrophobicContact CB-CB 4.13Å; P611-V656 HydrophobicContact CB-CG1 3.87Å; P611-I657 HydrophobicContact CB-CG1 4.44Å; P611-I657 HydrophobicContact CG-CD1 4.39Å; P611-I657 HydrophobicContact CG-CG1 4.19Å
612	Q	90.2	Very high	88.8	Confident	157 Å²	157	46.6 Å²	46.6	73%	0.734	25%	0.248	S	C	*	.	H	α-helix	trans	-66.6	-47	-178.7	-63.5	179.1	0.3	0	0	111	N610 S615 V616	N610-Q612 PolarHBondContact O-N 2.95Å; N610-Q612 PolarHBondContact OD1-N 3.39Å; Q612-S615 PolarHBondContact O-N 2.87Å; Q612-V616 WeakPolarHBondContact O-CG2 3.47Å; Q612-V616 PolarHBondContact O-N 3.21Å
613	V	91.7	Very high	88.4	Confident	9 Å²	9	52 Å²	52	6%	0.055	28%	0.277	C	S	.	.	H	α-helix	trans	-65.4	-40.6	178.4	174.3	0	0	0	0	111.1	L582 L583 A586 T594 N610 V616 M617	L582-V613 HydrophobicContact CD1-CG1 4.01Å; L582-V613 HydrophobicContact CD2-CG1 4.27Å; L582-V613 HydrophobicContact CD2-CG2 4.47Å; L582-V613 HydrophobicContact CG-CG1 4.03Å; L583-V613 HydrophobicContact CD2-CG2 4.05Å; A586-V613 HydrophobicContact CB-CG1 3.96Å; A586-V613 HydrophobicContact CB-CG2 4.4Å; T594-V613 HydrophobicContact CG2-CG1 3.77Å; N610-V613 HydrophobicContact CB-CB 4.32Å; N610-V613 HydrophobicContact CB-CG2 4.38Å; N610-V613 WeakPolarHBondContact ND2-CG2 3.45Å; N610-V613 PolarHBondContact O-N 2.83Å; N610-V613 PolarHBondContact OD1-N 2.88Å; V613-V616 PolarHBondContact O-N 3.25Å; V613-M617 HydrophobicContact CG1-CE 3.67Å; V613-M617 WeakPolarHBondContact O-CG 3.26Å; V613-M617 PolarHBondContact O-N 2.84Å
614	L	91.9	Very high	88	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.3	-43.1	175	-70.5	170.3	0	0	0	112.1	Y598 N610 P611 V616 M617 V618 L643 F644 V647 I657	Y598-L614 HydrophobicContact CD2-CD2 4.41Å; Y598-L614 HydrophobicContact CE2-CD1 4.4Å; Y598-L614 HydrophobicContact CE2-CD2 3.91Å; Y598-L614 HydrophobicContact CE2-CG 3.88Å; N610-L614 PolarHBondContact O-N 3.47Å; P611-L614 PolarHBondContact O-N 3.32Å; L614-V616 VanDerWaalsContact C-N 3.34Å; L614-V616 PolarHBondContact O-N 3.42Å; L614-M617 HydrophobicContact CD2-CE 3.82Å; L614-M617 PolarHBondContact O-N 2.88Å; L614-V618 WeakPolarHBondContact O-CG2 3.47Å; L614-V618 PolarHBondContact O-N 2.91Å; L614-L643 HydrophobicContact CD2-CD2 4.12Å; L614-F644 HydrophobicContact CB-CE1 4.33Å; L614-F644 HydrophobicContact CB-CZ 4.01Å; L614-F644 HydrophobicContact CD1-CE1 4.22Å; L614-F644 HydrophobicContact CD2-CE1 4.26Å; L614-F644 HydrophobicContact CD2-CE2 4.34Å; L614-F644 HydrophobicContact CD2-CZ 4.02Å; L614-F644 HydrophobicContact CG-CZ 4.44Å; L614-V647 HydrophobicContact CD1-CG1 4.16Å; L614-I657 HydrophobicContact CD1-CD1 4.02Å; L614-I657 HydrophobicContact CD1-CG1 3.92Å; L614-I657 HydrophobicContact CD1-CG2 4.14Å
615	S	91.1	Very high	87.5	Confident	18 Å²	18	51.8 Å²	51.8	13%	0.126	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-40.6	175.9	-169.9	0	0	0	0	111.8	P611 Q612 M617 V618 K619 E660	P611-S615 WeakPolarHBondContact O-CB 3.44Å; P611-S615 PolarHBondContact O-N 2.88Å; Q612-S615 PolarHBondContact O-N 2.87Å; S615-M617 PolarHBondContact O-N 2.95Å; S615-V618 PolarHBondContact O-N 3.3Å; S615-K619 WeakPolarHBondContact O-CB 3.48Å; S615-K619 VanDerWaalsContact O-CG 3.26Å; S615-K619 WeakPolarHBondContact O-CG 3.19Å; S615-K619 PolarHBondContact O-N 3.26Å; S615-K619 WeakPolarHBondContact OG-CE 3.23Å; S615-E660 VanDerWaalsContact CB-OE1 3.23Å; S615-E660 WeakPolarHBondContact CB-OE1 3.48Å; S615-E660 PolarHBondContact OG-OE1 3.08Å
616	V	89.1	Confident	87.2	Confident	67 Å²	67	55.5 Å²	55.5	41%	0.406	29%	0.293	S	S	.	.	H	α-helix	trans	-61.9	-42.6	174.3	172	0	0	0	0	111.2	F591 Q612 V613 L614 G620	F591-V616 HydrophobicContact CE1-CG1 4.43Å; Q612-V616 WeakPolarHBondContact O-CG2 3.47Å; Q612-V616 PolarHBondContact O-N 3.21Å; V613-V616 PolarHBondContact O-N 3.25Å; L614-V616 VanDerWaalsContact C-N 3.34Å; L614-V616 PolarHBondContact O-N 3.42Å; V616-G620 PolarHBondContact O-N 3.4Å
617	M	89	Confident	86.9	Confident	2 Å²	2	54 Å²	54	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-65.1	-45.7	177.1	-73	-168.5	-92.6	0	0	112.5	F591 T594 I595 Y598 V613 L614 S615 G620 V621 L640 L643	F591-M617 HydrophobicContact CD1-CG 4.21Å; T594-M617 HydrophobicContact CG2-CE 3.78Å; T594-M617 HydrophobicContact CG2-CG 4.1Å; T594-M617 HydrophobicContact CG2-SD 3.61Å; I595-M617 HydrophobicContact CG1-SD 3.78Å; Y598-M617 HydrophobicContact CD2-CE 3.85Å; Y598-M617 HydrophobicContact CE2-CE 4.35Å; V613-M617 HydrophobicContact CG1-CE 3.67Å; V613-M617 WeakPolarHBondContact O-CG 3.26Å; V613-M617 PolarHBondContact O-N 2.84Å; L614-M617 HydrophobicContact CD2-CE 3.82Å; L614-M617 PolarHBondContact O-N 2.88Å; S615-M617 PolarHBondContact O-N 2.95Å; M617-G620 PolarHBondContact O-N 2.91Å; M617-V621 WeakPolarHBondContact O-CG2 3.36Å; M617-V621 PolarHBondContact O-N 2.8Å; M617-L640 HydrophobicContact CB-CD1 4.05Å; M617-L640 HydrophobicContact CB-CD2 4.18Å; M617-L640 HydrophobicContact SD-CD1 3.97Å; M617-L643 HydrophobicContact CE-CD2 4.05Å
618	V	89.2	Confident	86.4	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-62.2	-46.4	178.7	171	0	0	0	0	110.7	L614 S615 G620 V621 I622 L640 F644 E660 H663 L664	L614-V618 WeakPolarHBondContact O-CG2 3.47Å; L614-V618 PolarHBondContact O-N 2.91Å; S615-V618 PolarHBondContact O-N 3.3Å; V618-G620 VanDerWaalsContact C-N 3.32Å; V618-G620 PolarHBondContact O-N 2.67Å; V618-V621 PolarHBondContact O-N 3.43Å; V618-I622 HydrophobicContact CG1-CD1 3.5Å; V618-I622 HydrophobicContact CG1-CG1 4.22Å; V618-I622 WeakPolarHBondContact O-CB 3.33Å; V618-I622 VanDerWaalsContact O-CG1 3.3Å; V618-I622 WeakPolarHBondContact O-CG1 3.32Å; V618-I622 PolarHBondContact O-N 3.31Å; V618-L640 HydrophobicContact CG2-CD2 4.21Å; V618-F644 HydrophobicContact CG2-CE2 3.44Å; V618-F644 VanDerWaalsContact CG2-CE2 3.44Å; V618-F644 HydrophobicContact CG2-CZ 3.44Å; V618-F644 VanDerWaalsContact CG2-CZ 3.44Å; V618-E660 HydrophobicContact CG2-CB 4.22Å; V618-H663 HydrophobicContact CG1-CB 4.41Å; V618-L664 HydrophobicContact CG1-CB 4.41Å; V618-L664 HydrophobicContact CG2-CB 4.38Å
619	K	88	Confident	85.8	Confident	121 Å²	121	53.2 Å²	53.2	53%	0.526	29%	0.288	S	S	.	.	H	α-helix	trans	-59.1	-42.7	174.6	-72.6	172.6	-175.1	171.3	0	112.1	S615 V621 I622 L623	S615-K619 WeakPolarHBondContact O-CB 3.48Å; S615-K619 VanDerWaalsContact O-CG 3.26Å; S615-K619 WeakPolarHBondContact O-CG 3.19Å; S615-K619 PolarHBondContact O-N 3.26Å; S615-K619 WeakPolarHBondContact OG-CE 3.23Å; K619-V621 PolarHBondContact O-N 3.37Å; K619-I622 PolarHBondContact O-N 3.47Å; K619-L623 VanDerWaalsContact O-CB 3.27Å; K619-L623 WeakPolarHBondContact O-CB 3.21Å; K619-L623 VanDerWaalsContact O-CG 3.31Å; K619-L623 WeakPolarHBondContact O-CG 3.46Å; K619-L623 PolarHBondContact O-N 3.01Å
620	G	85.8	Confident	85.6	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-43.4	176.4	0	0	0	0	0	112.9	V616 M617 V618 N624 E625 A633	V616-G620 PolarHBondContact O-N 3.4Å; M617-G620 PolarHBondContact O-N 2.91Å; V618-G620 VanDerWaalsContact C-N 3.32Å; V618-G620 PolarHBondContact O-N 2.67Å; G620-N624 PolarHBondContact O-N 2.93Å; G620-N624 VanDerWaalsContact O-N 3.17Å; G620-E625 PolarHBondContact O-N 2.86Å; G620-A633 WeakPolarHBondContact O-CB 3.37Å
621	V	85.9	Confident	85.3	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.024	31%	0.314	C	S	.	.	H	α-helix	trans	-70.2	-44.8	178.4	174	0	0	0	0	112.2	M617 V618 K619 N624 A633 R637 L640 L664	M617-V621 WeakPolarHBondContact O-CG2 3.36Å; M617-V621 PolarHBondContact O-N 2.8Å; V618-V621 PolarHBondContact O-N 3.43Å; K619-V621 PolarHBondContact O-N 3.37Å; V621-N624 PolarHBondContact O-N 3.5Å; V621-N624 VanDerWaalsContact O-N 3.14Å; V621-A633 HydrophobicContact CG2-CB 4.32Å; V621-R637 HydrophobicContact CG1-CB 3.93Å; V621-R637 HydrophobicContact CG1-CG 4.21Å; V621-L640 HydrophobicContact CB-CD2 4.44Å; V621-L640 HydrophobicContact CG2-CD2 3.75Å; V621-L664 HydrophobicContact CB-CD1 4.28Å; V621-L664 HydrophobicContact CG1-CD1 3.86Å
622	I	84.4	Confident	85	Confident	64 Å²	64	57.4 Å²	57.4	33%	0.328	32%	0.318	S	S	.	.	H	α-helix	trans	-65.9	-45.4	-179.1	-67.9	173.7	0	0	0	110.9	V618 K619 N624 H663 D667	V618-I622 HydrophobicContact CG1-CD1 3.5Å; V618-I622 HydrophobicContact CG1-CG1 4.22Å; V618-I622 WeakPolarHBondContact O-CB 3.33Å; V618-I622 VanDerWaalsContact O-CG1 3.3Å; V618-I622 WeakPolarHBondContact O-CG1 3.32Å; V618-I622 PolarHBondContact O-N 3.31Å; K619-I622 PolarHBondContact O-N 3.47Å; I622-N624 PolarHBondContact O-N 2.87Å; I622-H663 HydrophobicContact CD1-CB 4.44Å; I622-D667 HydrophobicContact CG1-CB 4.2Å
623	L	84.8	Confident	84.6	Confident	122 Å²	122	50 Å²	50	64%	0.639	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-3.8	176.3	-63.6	175.4	0	0	0	112.9	K619 E625	K619-L623 VanDerWaalsContact O-CB 3.27Å; K619-L623 WeakPolarHBondContact O-CB 3.21Å; K619-L623 VanDerWaalsContact O-CG 3.31Å; K619-L623 WeakPolarHBondContact O-CG 3.46Å; K619-L623 PolarHBondContact O-N 3.01Å; L623-E625 HydrophobicContact CB-CG 3.99Å; L623-E625 PolarHBondContact O-N 3.06Å
624	N	82.2	Confident	84.1	Confident	79 Å²	79	51.2 Å²	51.2	42%	0.422	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	47.8	-174.7	-165.6	39	0	0	0	112.3	G620 V621 I622 P632 S634	G620-N624 PolarHBondContact O-N 2.93Å; G620-N624 VanDerWaalsContact O-N 3.17Å; V621-N624 PolarHBondContact O-N 3.5Å; V621-N624 VanDerWaalsContact O-N 3.14Å; I622-N624 PolarHBondContact O-N 2.87Å; N624-P632 VanDerWaalsContact OD1-CB 3.31Å; N624-P632 WeakPolarHBondContact OD1-CB 3.3Å; N624-S634 WeakPolarHBondContact OD1-CB 3.26Å; N624-S634 PolarHBondContact OD1-N 2.96Å; N624-S634 PolarHBondContact OD1-OG 3.39Å
625	E	82.8	Confident	83.8	Confident	56 Å²	56	56.6 Å²	56.6	26%	0.262	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-62.2	151.7	178.1	-62.9	-166.5	143.5	0	0	110.7	K589 F591 G620 L623 A633	K589-E625 WeakPolarHBondContact CD-OE2 3.39Å; K589-E625 WeakPolarHBondContact CE-OE2 3.37Å; K589-E625 IonicContact NZ-OE1 3.06Å; K589-E625 PolarHBondContact NZ-OE1 3.13Å; K589-E625 IonicContact NZ-OE2 3.56Å; K589-E625 PolarHBondContact NZ-OE2 3.29Å; F591-E625 HydrophobicContact CE2-CB 4.49Å; G620-E625 PolarHBondContact O-N 2.86Å; L623-E625 HydrophobicContact CB-CG 3.99Å; L623-E625 PolarHBondContact O-N 3.06Å; E625-A633 WeakPolarHBondContact O-CB 3.32Å; E625-A633 PolarHBondContact O-N 3.42Å
626	M	81.4	Confident	83.5	Confident	145 Å²	145	56.4 Å²	56.4	71%	0.714	32%	0.318	S	S	*	.	B	Isolated β-bridge	trans	-79.9	126.3	172.5	-67.2	-170.5	-73.5	0	0	109.7
627	D	78	Confident	83.4	Confident	14 Å²	14	55.8 Å²	55.8	8%	0.075	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-61.1	163.5	171.9	-67.2	14.2	0	0	0	110.7	F591 T629 G630 N631	F591-D627 WeakPolarHBondContact CD2-OD1 3.39Å; D627-T629 PolarHBondContact O-N 3.05Å; D627-G630 PolarHBondContact O-N 2.98Å; D627-N631 WeakPolarHBondContact CB-O 3.26Å; D627-N631 PolarHBondContact N-O 2.91Å
628	S	76.3	Confident	83.3	Confident	68 Å²	68	59.1 Å²	59.1	48%	0.476	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-19.7	171.8	64.4	0	0	0	0	115	K589	K589-S628 PolarHBondContact O-N 3.14Å
629	T	75.9	Confident	83.4	Confident	92 Å²	92	63.5 Å²	63.5	56%	0.564	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	2.1	176.4	65.9	0	0	0	0	114	D627 N631	D627-T629 PolarHBondContact O-N 3.05Å; T629-N631 PolarHBondContact OG1-ND2 3.38Å; T629-N631 VanDerWaalsContact OG1-ND2 3.13Å
630	G	80.5	Confident	83.5	Confident	49 Å²	49	57.8 Å²	57.8	51%	0.505	33%	0.33	S	S	.	.	S	Bend	trans	81.4	7.6	-177.7	0	0	0	0	0	115.2	D627	D627-G630 PolarHBondContact O-N 2.98Å
631	N	84.2	Confident	83.7	Confident	89 Å²	89	59 Å²	59	48%	0.476	34%	0.336	S	S	.	.			trans	-83.9	142.8	174.8	-68.4	-38.8	0	0	0	110.3	D627 T629	D627-N631 WeakPolarHBondContact CB-O 3.26Å; D627-N631 PolarHBondContact N-O 2.91Å; T629-N631 PolarHBondContact OG1-ND2 3.38Å; T629-N631 VanDerWaalsContact OG1-ND2 3.13Å
632	P	82	Confident	84	Confident	48 Å²	48	64.4 Å²	64.4	31%	0.312	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-67.2	132.4	172.3	-18.5	30.8	0	0	0	111.7	N624 S634 N635	N624-P632 VanDerWaalsContact OD1-CB 3.31Å; N624-P632 WeakPolarHBondContact OD1-CB 3.3Å; P632-S634 PolarHBondContact O-N 3.49Å; P632-S634 VanDerWaalsContact O-N 3.13Å; P632-N635 PolarHBondContact O-N 3.39Å
633	A	82.8	Confident	84.4	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-59.8	-23.5	178.1	0	0	0	0	0	113.4	F591 G620 V621 E625 N635 L636	F591-A633 HydrophobicContact CD2-CB 3.79Å; F591-A633 HydrophobicContact CE2-CB 3.94Å; G620-A633 WeakPolarHBondContact O-CB 3.37Å; V621-A633 HydrophobicContact CG2-CB 4.32Å; E625-A633 WeakPolarHBondContact O-CB 3.32Å; E625-A633 PolarHBondContact O-N 3.42Å; A633-N635 PolarHBondContact O-N 3.28Å; A633-L636 WeakPolarHBondContact O-CB 3.32Å; A633-L636 PolarHBondContact O-N 3Å
634	S	81.8	Confident	84.7	Confident	35 Å²	35	55.6 Å²	55.6	25%	0.245	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-55	-31.3	175.2	50.5	0	0	0	0	113.9	N624 P632 L636 R637	N624-S634 WeakPolarHBondContact OD1-CB 3.26Å; N624-S634 PolarHBondContact OD1-N 2.96Å; N624-S634 PolarHBondContact OD1-OG 3.39Å; P632-S634 PolarHBondContact O-N 3.49Å; P632-S634 VanDerWaalsContact O-N 3.13Å; S634-L636 PolarHBondContact O-N 3.04Å; S634-R637 VanDerWaalsContact O-CB 3.31Å; S634-R637 WeakPolarHBondContact O-CB 3.15Å; S634-R637 PolarHBondContact O-N 3.47Å; S634-R637 VanDerWaalsContact O-N 3.15Å
635	N	84.8	Confident	85.1	Confident	114 Å²	114	53.2 Å²	53.2	61%	0.61	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-63.8	-22.5	176.4	-68.5	-23.7	0	0	0	112.8	P632 A633	P632-N635 PolarHBondContact O-N 3.39Å; A633-N635 PolarHBondContact O-N 3.28Å
636	L	85.6	Confident	85.5	Confident	14 Å²	14	54.9 Å²	54.9	7%	0.073	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-90.7	-2.6	-179.4	-60	173.9	0	0	0	112.9	F591 H592 I595 A633 S634 A638 K639 L640	F591-L636 HydrophobicContact CB-CD1 3.54Å; H592-L636 HydrophobicContact CB-CD1 4.18Å; H592-L636 HydrophobicContact CB-CD2 4.18Å; I595-L636 HydrophobicContact CD1-CB 3.98Å; I595-L636 HydrophobicContact CD1-CD1 4.44Å; A633-L636 WeakPolarHBondContact O-CB 3.32Å; A633-L636 PolarHBondContact O-N 3Å; S634-L636 PolarHBondContact O-N 3.04Å; L636-A638 VanDerWaalsContact C-N 3.32Å; L636-A638 PolarHBondContact O-N 2.83Å; L636-K639 HydrophobicContact CD2-CD 4.17Å; L636-K639 PolarHBondContact O-N 3.33Å; L636-K639 VanDerWaalsContact O-N 3.1Å; L636-L640 PolarHBondContact O-N 2.99Å
637	R	86	Confident	85.9	Confident	54 Å²	54	48 Å²	48	20%	0.204	28%	0.28	C	S	.	.	H	α-helix	trans	-53.6	-46.3	-177.7	-176.3	177.8	-76.4	129.3	-4.6	112.3	V621 S634 K639 L640 L641 L664 D667	V621-R637 HydrophobicContact CG1-CB 3.93Å; V621-R637 HydrophobicContact CG1-CG 4.21Å; S634-R637 VanDerWaalsContact O-CB 3.31Å; S634-R637 WeakPolarHBondContact O-CB 3.15Å; S634-R637 PolarHBondContact O-N 3.47Å; S634-R637 VanDerWaalsContact O-N 3.15Å; R637-K639 PolarHBondContact O-N 2.9Å; R637-L640 PolarHBondContact O-N 3.09Å; R637-L641 HydrophobicContact CG-CD1 4.24Å; R637-L641 HydrophobicContact CG-CG 4.45Å; R637-L641 WeakPolarHBondContact O-CG 3.46Å; R637-L641 PolarHBondContact O-N 2.72Å; R637-L664 HydrophobicContact CG-CD1 4.13Å; R637-D667 IonicContact CZ-OD2 2.83Å; R637-D667 IonicContact NH2-OD2 3.08Å; R637-D667 PolarHBondContact NH2-OD2 3.23Å
638	A	87.5	Confident	86.5	Confident	72 Å²	72	47.8 Å²	47.8	60%	0.595	28%	0.28	S	S	*	.	H	α-helix	trans	-59.7	-44	179.1	0	0	0	0	0	112.5	L636 L641 E642	L636-A638 VanDerWaalsContact C-N 3.32Å; L636-A638 PolarHBondContact O-N 2.83Å; A638-L641 PolarHBondContact O-N 2.93Å; A638-E642 PolarHBondContact O-N 3.47Å; A638-E642 VanDerWaalsContact O-N 3.16Å
639	K	89.8	Confident	87.1	Confident	92 Å²	92	48.5 Å²	48.5	40%	0.4	29%	0.289	S	S	.	.	H	α-helix	trans	-67.1	-38.1	176.6	-66.4	-178.2	174	178.1	0	111.8	H592 I595 L636 R637 E642 L643	H592-K639 PolarHBondContact CD2-NZ 2.98Å; H592-K639 PolarHBondContact NE2-NZ 3.49Å; I595-K639 HydrophobicContact CD1-CB 4.28Å; I595-K639 HydrophobicContact CG2-CB 4.29Å; L636-K639 HydrophobicContact CD2-CD 4.17Å; L636-K639 PolarHBondContact O-N 3.33Å; L636-K639 VanDerWaalsContact O-N 3.1Å; R637-K639 PolarHBondContact O-N 2.9Å; K639-E642 WeakPolarHBondContact O-CB 3.48Å; K639-E642 PolarHBondContact O-N 3.43Å; K639-L643 PolarHBondContact O-N 2.84Å
640	L	90.9	Very high	87.6	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-66.8	-39.2	177	-173.6	60.2	0	0	0	111.5	I595 M617 V618 V621 L636 R637 E642 L643 F644 L664	I595-L640 HydrophobicContact CD1-CB 4.24Å; I595-L640 HydrophobicContact CG1-CD1 4.4Å; M617-L640 HydrophobicContact CB-CD1 4.05Å; M617-L640 HydrophobicContact CB-CD2 4.18Å; M617-L640 HydrophobicContact SD-CD1 3.97Å; V618-L640 HydrophobicContact CG2-CD2 4.21Å; V621-L640 HydrophobicContact CB-CD2 4.44Å; V621-L640 HydrophobicContact CG2-CD2 3.75Å; L636-L640 PolarHBondContact O-N 2.99Å; R637-L640 PolarHBondContact O-N 3.09Å; L640-E642 VanDerWaalsContact C-N 3.33Å; L640-E642 PolarHBondContact O-N 3.48Å; L640-L643 HydrophobicContact CD1-CD2 4.15Å; L640-L643 WeakPolarHBondContact O-CB 3.33Å; L640-L643 PolarHBondContact O-N 3.28Å; L640-F644 HydrophobicContact CD1-CD2 4.1Å; L640-F644 HydrophobicContact CD1-CE2 3.85Å; L640-F644 HydrophobicContact CD2-CE2 4.26Å; L640-F644 HydrophobicContact CG-CD2 3.95Å; L640-F644 HydrophobicContact CG-CE2 3.83Å; L640-F644 VanDerWaalsContact O-CD2 3.32Å; L640-F644 WeakPolarHBondContact O-CD2 3.47Å; L640-F644 PolarHBondContact O-N 3.29Å; L640-L664 HydrophobicContact CB-CD2 4.12Å; L640-L664 HydrophobicContact CD2-CD1 4.12Å; L640-L664 HydrophobicContact CD2-CD2 3.66Å; L640-L664 HydrophobicContact CG-CD2 3.63Å
641	L	90.6	Very high	87.9	Confident	26 Å²	26	44.5 Å²	44.5	14%	0.136	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-38.5	174.2	-73.3	172.3	0	0	0	112.4	R637 A638 G645 Y661 L664 L665	R637-L641 HydrophobicContact CG-CD1 4.24Å; R637-L641 HydrophobicContact CG-CG 4.45Å; R637-L641 WeakPolarHBondContact O-CG 3.46Å; R637-L641 PolarHBondContact O-N 2.72Å; A638-L641 PolarHBondContact O-N 2.93Å; L641-G645 PolarHBondContact O-N 3.46Å; L641-Y661 HydrophobicContact CD2-CD2 4.28Å; L641-Y661 HydrophobicContact CD2-CE2 3.74Å; L641-L664 HydrophobicContact CD2-CD2 3.67Å; L641-L664 HydrophobicContact CD2-CG 3.89Å; L641-L664 HydrophobicContact CG-CD2 4Å; L641-L664 HydrophobicContact CG-CG 4.4Å; L641-L665 HydrophobicContact CD2-CD2 3.55Å; L641-L665 HydrophobicContact CD2-CG 4.06Å
642	E	91.8	Very high	87.9	Confident	119 Å²	119	43.3 Å²	43.3	56%	0.556	25%	0.253	S	S	*	.	H	α-helix	trans	-63.1	-44.8	172.4	-174	-174.4	165.9	0	0	111.3	A638 K639 L640 G645 R646	A638-E642 PolarHBondContact O-N 3.47Å; A638-E642 VanDerWaalsContact O-N 3.16Å; K639-E642 WeakPolarHBondContact O-CB 3.48Å; K639-E642 PolarHBondContact O-N 3.43Å; L640-E642 VanDerWaalsContact C-N 3.33Å; L640-E642 PolarHBondContact O-N 3.48Å; E642-G645 PolarHBondContact O-N 3.12Å; E642-R646 PolarHBondContact O-N 3.27Å; E642-R646 VanDerWaalsContact O-N 3.08Å
643	L	92	Very high	88	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58	-50.5	175.3	179.9	63.4	0	0	0	111.5	I595 Y598 L602 L614 M617 K639 L640 G645 R646 V647	I595-L643 HydrophobicContact CG1-CD2 4.49Å; I595-L643 HydrophobicContact CG2-CD2 4.43Å; Y598-L643 HydrophobicContact CD1-CD1 3.69Å; Y598-L643 HydrophobicContact CD1-CD2 4.35Å; Y598-L643 HydrophobicContact CD1-CG 4.44Å; Y598-L643 HydrophobicContact CD2-CD2 4.23Å; Y598-L643 HydrophobicContact CE1-CD1 4.49Å; Y598-L643 HydrophobicContact CG-CD1 3.95Å; Y598-L643 HydrophobicContact CG-CD2 3.89Å; Y598-L643 HydrophobicContact CG-CG 4.45Å; L602-L643 HydrophobicContact CD1-CD1 3.87Å; L614-L643 HydrophobicContact CD2-CD2 4.12Å; M617-L643 HydrophobicContact CE-CD2 4.05Å; K639-L643 PolarHBondContact O-N 2.84Å; L640-L643 HydrophobicContact CD1-CD2 4.15Å; L640-L643 WeakPolarHBondContact O-CB 3.33Å; L640-L643 PolarHBondContact O-N 3.28Å; L643-G645 VanDerWaalsContact C-N 3.28Å; L643-G645 PolarHBondContact O-N 3.44Å; L643-R646 PolarHBondContact O-N 3.04Å; L643-R646 VanDerWaalsContact O-N 3.08Å; L643-V647 HydrophobicContact CD1-CG2 3.97Å; L643-V647 HydrophobicContact CG-CG2 4.09Å; L643-V647 VanDerWaalsContact O-CG2 3.3Å; L643-V647 WeakPolarHBondContact O-CG2 3.36Å; L643-V647 PolarHBondContact O-N 3.02Å
644	F	92.1	Very high	88.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.7	-39.8	177.4	-88.7	-76.2	0	0	0	112.5	L614 V618 L640 R646 V647 T648 I657 E660 Y661 L664	L614-F644 HydrophobicContact CB-CE1 4.33Å; L614-F644 HydrophobicContact CB-CZ 4.01Å; L614-F644 HydrophobicContact CD1-CE1 4.22Å; L614-F644 HydrophobicContact CD2-CE1 4.26Å; L614-F644 HydrophobicContact CD2-CE2 4.34Å; L614-F644 HydrophobicContact CD2-CZ 4.02Å; L614-F644 HydrophobicContact CG-CZ 4.44Å; V618-F644 HydrophobicContact CG2-CE2 3.44Å; V618-F644 VanDerWaalsContact CG2-CE2 3.44Å; V618-F644 HydrophobicContact CG2-CZ 3.44Å; V618-F644 VanDerWaalsContact CG2-CZ 3.44Å; L640-F644 HydrophobicContact CD1-CD2 4.1Å; L640-F644 HydrophobicContact CD1-CE2 3.85Å; L640-F644 HydrophobicContact CD2-CE2 4.26Å; L640-F644 HydrophobicContact CG-CD2 3.95Å; L640-F644 HydrophobicContact CG-CE2 3.83Å; L640-F644 VanDerWaalsContact O-CD2 3.32Å; L640-F644 WeakPolarHBondContact O-CD2 3.47Å; L640-F644 PolarHBondContact O-N 3.29Å; F644-R646 VanDerWaalsContact C-N 3.32Å; F644-R646 PolarHBondContact O-N 3.25Å; F644-V647 PolarHBondContact O-N 3.11Å; F644-T648 VanDerWaalsContact O-CB 3.32Å; F644-T648 WeakPolarHBondContact O-CB 3.49Å; F644-T648 VanDerWaalsContact O-CG2 3.28Å; F644-T648 WeakPolarHBondContact O-CG2 3.39Å; F644-T648 PolarHBondContact O-N 3.46Å; F644-T648 PolarHBondContact O-OG1 3.07Å; F644-I657 HydrophobicContact CD1-CG2 4.01Å; F644-I657 HydrophobicContact CE1-CG2 4.03Å; F644-E660 HydrophobicContact CE1-CB 4.05Å; F644-E660 HydrophobicContact CZ-CB 3.95Å; F644-Y661 HydrophobicContact CB-CD1 4.23Å; F644-Y661 HydrophobicContact CB-CD2 3.41Å; F644-Y661 VanDerWaalsContact CB-CD2 3.41Å; F644-Y661 HydrophobicContact CB-CE1 4.4Å; F644-Y661 HydrophobicContact CB-CE2 3.6Å; F644-Y661 HydrophobicContact CB-CG 3.74Å; F644-Y661 HydrophobicContact CD1-CD2 4.21Å; F644-Y661 AromaticContact CD1-CG 3.98Å; F644-Y661 HydrophobicContact CD1-CG 3.98Å; F644-Y661 HydrophobicContact CD2-CD2 4.29Å; F644-Y661 AromaticContact CG-CD2 3.74Å; F644-Y661 HydrophobicContact CG-CD2 3.74Å; F644-Y661 HydrophobicContact CG-CE2 4.38Å; F644-Y661 AromaticContact CG-CG 3.97Å; F644-Y661 HydrophobicContact CG-CG 3.97Å; F644-L664 HydrophobicContact CD2-CD2 3.83Å; F644-L664 HydrophobicContact CE2-CD2 3.96Å
645	G	90.1	Very high	88.3	Confident	30 Å²	30	48.2 Å²	48.2	31%	0.309	28%	0.276	S	S	.	.	H	α-helix	trans	-57.6	-43.6	173.8	0	0	0	0	0	112.6	L641 E642 L643 T648 A649	L641-G645 PolarHBondContact O-N 3.46Å; E642-G645 PolarHBondContact O-N 3.12Å; L643-G645 VanDerWaalsContact C-N 3.28Å; L643-G645 PolarHBondContact O-N 3.44Å; G645-T648 PolarHBondContact O-OG1 2.76Å; G645-A649 WeakPolarHBondContact O-CB 3.48Å; G645-A649 PolarHBondContact O-N 3.22Å
646	R	91.2	Very high	88.4	Confident	91 Å²	91	46 Å²	46	34%	0.343	27%	0.267	S	S	.	.	H	α-helix	trans	-70.6	-43.5	175.9	-69.9	-174.3	59.4	-171	-2.6	113	H599 L602 D603 E642 L643 F644 A649 S650	H599-R646 PolarHBondContact ND1-NH1 2.95Å; L602-R646 HydrophobicContact CD1-CB 4.14Å; D603-R646 IonicContact OD1-CZ 3.42Å; D603-R646 IonicContact OD1-NH1 3.99Å; D603-R646 IonicContact OD1-NH2 2.78Å; D603-R646 PolarHBondContact OD1-NH2 2.93Å; E642-R646 PolarHBondContact O-N 3.27Å; E642-R646 VanDerWaalsContact O-N 3.08Å; L643-R646 PolarHBondContact O-N 3.04Å; L643-R646 VanDerWaalsContact O-N 3.08Å; F644-R646 VanDerWaalsContact C-N 3.32Å; F644-R646 PolarHBondContact O-N 3.25Å; R646-A649 PolarHBondContact O-N 3.16Å; R646-S650 PolarHBondContact O-N 3.08Å
647	V	90.7	Very high	88.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-49.7	179.8	175.5	0	0	0	0	110.3	Y598 L602 L614 L643 F644 A649 S650 T651 I657	Y598-V647 HydrophobicContact CD1-CG2 4.1Å; Y598-V647 HydrophobicContact CE1-CG2 3.52Å; L602-V647 HydrophobicContact CD1-CG2 3.82Å; L614-V647 HydrophobicContact CD1-CG1 4.16Å; L643-V647 HydrophobicContact CD1-CG2 3.97Å; L643-V647 HydrophobicContact CG-CG2 4.09Å; L643-V647 VanDerWaalsContact O-CG2 3.3Å; L643-V647 WeakPolarHBondContact O-CG2 3.36Å; L643-V647 PolarHBondContact O-N 3.02Å; F644-V647 PolarHBondContact O-N 3.11Å; V647-A649 VanDerWaalsContact C-N 3.3Å; V647-A649 PolarHBondContact O-N 3.38Å; V647-S650 PolarHBondContact O-N 3.16Å; V647-S650 VanDerWaalsContact O-N 3.09Å; V647-S650 PolarHBondContact O-OG 2.88Å; V647-T651 PolarHBondContact O-N 3.3Å; V647-I657 HydrophobicContact CG1-CD1 3.85Å; V647-I657 HydrophobicContact CG1-CG2 3.9Å
648	T	89.2	Confident	88.9	Confident	10 Å²	10	44.2 Å²	44.2	6%	0.061	26%	0.259	C	S	.	.	H	α-helix	trans	-65	-32.7	179.9	53.4	0	0	0	0	112.9	F644 G645 T651 P652 I657 W658 Y661	F644-T648 VanDerWaalsContact O-CB 3.32Å; F644-T648 WeakPolarHBondContact O-CB 3.49Å; F644-T648 VanDerWaalsContact O-CG2 3.28Å; F644-T648 WeakPolarHBondContact O-CG2 3.39Å; F644-T648 PolarHBondContact O-N 3.46Å; F644-T648 PolarHBondContact O-OG1 3.07Å; G645-T648 PolarHBondContact O-OG1 2.76Å; T648-T651 CarbonylContact O-C 3.47Å; T648-P652 WeakPolarHBondContact O-CA 3.39Å; T648-I657 HydrophobicContact CG2-CG2 3.93Å; T648-W658 VanDerWaalsContact CB-CH2 3.45Å; T648-W658 HydrophobicContact CG2-CD2 3.91Å; T648-W658 HydrophobicContact CG2-CE3 3.72Å; T648-W658 HydrophobicContact CG2-CH2 3.87Å; T648-W658 HydrophobicContact CG2-CZ2 4.04Å; T648-W658 HydrophobicContact CG2-CZ3 3.7Å; T648-Y661 HydrophobicContact CG2-CD1 4.01Å
649	A	88.7	Confident	88.9	Confident	82 Å²	82	41.4 Å²	41.4	68%	0.678	23%	0.234	S	C	*	.	H	α-helix	trans	-66.1	-39.4	171.1	0	0	0	0	0	112.3	G645 R646 V647	G645-A649 WeakPolarHBondContact O-CB 3.48Å; G645-A649 PolarHBondContact O-N 3.22Å; R646-A649 PolarHBondContact O-N 3.16Å; V647-A649 VanDerWaalsContact C-N 3.3Å; V647-A649 PolarHBondContact O-N 3.38Å
650	S	87.7	Confident	88.8	Confident	25 Å²	25	38.4 Å²	38.4	18%	0.175	22%	0.221	C	C	.	.	H	α-helix	trans	-75.3	-39.7	179.1	73.7	0	0	0	0	113.5	G606 R646 V647	G606-S650 WeakPolarHBondContact O-CB 3.38Å; R646-S650 PolarHBondContact O-N 3.08Å; V647-S650 PolarHBondContact O-N 3.16Å; V647-S650 VanDerWaalsContact O-N 3.09Å; V647-S650 PolarHBondContact O-OG 2.88Å
651	T	85.3	Confident	88.8	Confident	33 Å²	33	38.9 Å²	38.9	20%	0.202	22%	0.223	C	C	.	.			trans	-131.3	77.1	-172.4	-48.2	0	0	0	0	109.4	A609 V647 T648 N653 D654	A609-T651 HydrophobicContact CB-CG2 3.92Å; V647-T651 PolarHBondContact O-N 3.3Å; T648-T651 CarbonylContact O-C 3.47Å; T651-N653 VanDerWaalsContact C-N 3.27Å; T651-N653 PolarHBondContact O-N 2.72Å; T651-D654 HydrophobicContact CG2-CB 4.45Å
652	P	84.7	Confident	88.6	Confident	63 Å²	63	37.7 Å²	37.7	41%	0.409	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-10.1	-174.9	30.2	-35.8	0	0	0	113.7	T648 W658 C690	T648-P652 WeakPolarHBondContact O-CA 3.39Å; P652-W658 PolarHBondContact O-NE1 3.16Å; P652-C690 PolarHBondContact O-SG 3.41Å
653	N	85.3	Confident	88.3	Confident	133 Å²	133	36.5 Å²	36.5	71%	0.711	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	1.2	-170.3	-64.5	-11	0	0	0	114.2	T651	T651-N653 VanDerWaalsContact C-N 3.27Å; T651-N653 PolarHBondContact O-N 2.72Å
654	D	85.2	Confident	88	Confident	39 Å²	39	36.5 Å²	36.5	21%	0.209	21%	0.211	C	C	.	.			trans	-96.6	110.5	-177.4	-167.9	-26.7	0	0	0	111.7	P611 T651 V656 I657 W658	P611-D654 WeakPolarHBondContact CG-OD2 3.48Å; T651-D654 HydrophobicContact CG2-CB 4.45Å; D654-V656 VanDerWaalsContact C-N 3.32Å; D654-V656 PolarHBondContact O-N 3.47Å; D654-V656 WeakPolarHBondContact OD1-CB 3.29Å; D654-V656 PolarHBondContact OD1-N 2.63Å; D654-I657 HydrophobicContact CB-CB 4.27Å; D654-I657 HydrophobicContact CB-CD1 3.83Å; D654-I657 HydrophobicContact CB-CG1 4Å; D654-I657 WeakPolarHBondContact OD2-CD1 3.47Å; D654-W658 PolarHBondContact O-N 3.41Å
655	A	85.2	Confident	87.6	Confident	14 Å²	14	36.6 Å²	36.6	12%	0.116	21%	0.212	C	C	.	.	H	α-helix	trans	-64.1	-33.6	179.4	0	0	0	0	0	113.5	N659 A687 C690 R691	A655-N659 PolarHBondContact O-N 3.02Å; A655-N659 PolarHBondContact O-ND2 3.23Å; A655-A687 WeakPolarHBondContact CB-O 3.34Å; A655-C690 HydrophobicContact CB-CB 3.88Å; A655-R691 HydrophobicContact CB-CG 3.52Å
656	V	87.4	Confident	87	Confident	69 Å²	69	37.2 Å²	37.2	42%	0.418	21%	0.21	S	C	.	.	H	α-helix	trans	-68	-43	-176	-178.5	0	0	0	0	109.6	P611 D654 W658 N659 E660	P611-V656 HydrophobicContact CB-CB 4.13Å; P611-V656 HydrophobicContact CB-CG1 3.87Å; D654-V656 VanDerWaalsContact C-N 3.32Å; D654-V656 PolarHBondContact O-N 3.47Å; D654-V656 WeakPolarHBondContact OD1-CB 3.29Å; D654-V656 PolarHBondContact OD1-N 2.63Å; V656-W658 PolarHBondContact O-N 2.99Å; V656-N659 PolarHBondContact O-N 3.09Å; V656-E660 HydrophobicContact CG1-CG 4.39Å; V656-E660 WeakPolarHBondContact O-CG 3.47Å; V656-E660 PolarHBondContact O-N 3.29Å
657	I	89.5	Confident	86	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-61.6	-44.4	179.1	-62.5	-179.6	0	0	0	111.3	A609 P611 L614 F644 V647 T648 D654 N659 E660 Y661	A609-I657 HydrophobicContact CB-CD1 3.72Å; P611-I657 HydrophobicContact CB-CG1 4.44Å; P611-I657 HydrophobicContact CG-CD1 4.39Å; P611-I657 HydrophobicContact CG-CG1 4.19Å; L614-I657 HydrophobicContact CD1-CD1 4.02Å; L614-I657 HydrophobicContact CD1-CG1 3.92Å; L614-I657 HydrophobicContact CD1-CG2 4.14Å; F644-I657 HydrophobicContact CD1-CG2 4.01Å; F644-I657 HydrophobicContact CE1-CG2 4.03Å; V647-I657 HydrophobicContact CG1-CD1 3.85Å; V647-I657 HydrophobicContact CG1-CG2 3.9Å; T648-I657 HydrophobicContact CG2-CG2 3.93Å; D654-I657 HydrophobicContact CB-CB 4.27Å; D654-I657 HydrophobicContact CB-CD1 3.83Å; D654-I657 HydrophobicContact CB-CG1 4Å; D654-I657 WeakPolarHBondContact OD2-CD1 3.47Å; I657-N659 VanDerWaalsContact C-N 3.32Å; I657-N659 PolarHBondContact O-N 3.24Å; I657-E660 PolarHBondContact O-N 3.1Å; I657-Y661 WeakPolarHBondContact O-CB 3.35Å; I657-Y661 PolarHBondContact O-N 3.41Å
658	W	91.3	Very high	84.8	Confident	28 Å²	28	39 Å²	39	11%	0.106	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-36.1	177.4	-75	116.8	0	0	0	113.1	T648 P652 D654 V656 Y661 A662 C683 A686 A687	T648-W658 VanDerWaalsContact CB-CH2 3.45Å; T648-W658 HydrophobicContact CG2-CD2 3.91Å; T648-W658 HydrophobicContact CG2-CE3 3.72Å; T648-W658 HydrophobicContact CG2-CH2 3.87Å; T648-W658 HydrophobicContact CG2-CZ2 4.04Å; T648-W658 HydrophobicContact CG2-CZ3 3.7Å; P652-W658 PolarHBondContact O-NE1 3.16Å; D654-W658 PolarHBondContact O-N 3.41Å; V656-W658 PolarHBondContact O-N 2.99Å; W658-Y661 HydrophobicContact CE3-CD1 4.09Å; W658-Y661 HydrophobicContact CZ3-CD1 4.08Å; W658-Y661 HydrophobicContact CZ3-CE1 4.39Å; W658-A662 WeakPolarHBondContact O-CB 3.44Å; W658-A662 PolarHBondContact O-N 2.75Å; W658-C683 HydrophobicContact CE3-CB 4.02Å; W658-A686 HydrophobicContact CD2-CB 3.74Å; W658-A686 HydrophobicContact CE3-CB 4.05Å; W658-A686 HydrophobicContact CG-CB 4.06Å; W658-A686 HydrophobicContact CZ2-CB 4.26Å; W658-A686 HydrophobicContact CZ3-CB 4.42Å; W658-A687 HydrophobicContact CB-CB 3.54Å
659	N	88.2	Confident	83.2	Confident	14 Å²	14	40.4 Å²	40.4	8%	0.075	23%	0.231	C	C	.	.	H	α-helix	trans	-68.6	-46.5	175.2	-72.7	-57.7	0	0	0	111.7	A655 V656 I657 Y661 A662 H663 A687 R691	A655-N659 PolarHBondContact O-N 3.02Å; A655-N659 PolarHBondContact O-ND2 3.23Å; V656-N659 PolarHBondContact O-N 3.09Å; I657-N659 VanDerWaalsContact C-N 3.32Å; I657-N659 PolarHBondContact O-N 3.24Å; N659-Y661 PolarHBondContact O-N 3.28Å; N659-A662 WeakPolarHBondContact O-CB 3.42Å; N659-A662 PolarHBondContact O-N 3.45Å; N659-A662 VanDerWaalsContact O-N 3.13Å; N659-H663 PolarHBondContact O-CD2 2.87Å; N659-H663 PolarHBondContact O-N 3.22Å; N659-A687 WeakPolarHBondContact OD1-CB 3.37Å; N659-R691 PolarHBondContact ND2-NH2 2.88Å
660	E	88.2	Confident	81.6	Confident	28 Å²	28	42.1 Å²	42.1	13%	0.131	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-36.5	176.8	-67.1	-68	179.8	0	0	111.2	S615 V618 F644 V656 I657 H663 L664	S615-E660 VanDerWaalsContact CB-OE1 3.23Å; S615-E660 WeakPolarHBondContact CB-OE1 3.48Å; S615-E660 PolarHBondContact OG-OE1 3.08Å; V618-E660 HydrophobicContact CG2-CB 4.22Å; F644-E660 HydrophobicContact CE1-CB 4.05Å; F644-E660 HydrophobicContact CZ-CB 3.95Å; V656-E660 HydrophobicContact CG1-CG 4.39Å; V656-E660 WeakPolarHBondContact O-CG 3.47Å; V656-E660 PolarHBondContact O-N 3.29Å; I657-E660 PolarHBondContact O-N 3.1Å; E660-H663 PolarHBondContact O-N 3.39Å; E660-L664 PolarHBondContact O-N 3.29Å; E660-L664 VanDerWaalsContact O-N 3.08Å
661	Y	90.8	Very high	79.9	Confident	12 Å²	12	47.3 Å²	47.3	5%	0.047	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-44.3	173.2	-171.2	-161.2	0	0	0	112.2	L641 F644 T648 I657 W658 N659 L664 L665 R679 C683	L641-Y661 HydrophobicContact CD2-CD2 4.28Å; L641-Y661 HydrophobicContact CD2-CE2 3.74Å; F644-Y661 HydrophobicContact CB-CD1 4.23Å; F644-Y661 HydrophobicContact CB-CD2 3.41Å; F644-Y661 VanDerWaalsContact CB-CD2 3.41Å; F644-Y661 HydrophobicContact CB-CE1 4.4Å; F644-Y661 HydrophobicContact CB-CE2 3.6Å; F644-Y661 HydrophobicContact CB-CG 3.74Å; F644-Y661 HydrophobicContact CD1-CD2 4.21Å; F644-Y661 AromaticContact CD1-CG 3.98Å; F644-Y661 HydrophobicContact CD1-CG 3.98Å; F644-Y661 HydrophobicContact CD2-CD2 4.29Å; F644-Y661 AromaticContact CG-CD2 3.74Å; F644-Y661 HydrophobicContact CG-CD2 3.74Å; F644-Y661 HydrophobicContact CG-CE2 4.38Å; F644-Y661 AromaticContact CG-CG 3.97Å; F644-Y661 HydrophobicContact CG-CG 3.97Å; T648-Y661 HydrophobicContact CG2-CD1 4.01Å; I657-Y661 WeakPolarHBondContact O-CB 3.35Å; I657-Y661 PolarHBondContact O-N 3.41Å; W658-Y661 HydrophobicContact CE3-CD1 4.09Å; W658-Y661 HydrophobicContact CZ3-CD1 4.08Å; W658-Y661 HydrophobicContact CZ3-CE1 4.39Å; N659-Y661 PolarHBondContact O-N 3.28Å; Y661-L664 PolarHBondContact O-N 2.97Å; Y661-L665 HydrophobicContact CD2-CD1 4.09Å; Y661-L665 HydrophobicContact CD2-CG 4.24Å; Y661-L665 HydrophobicContact CE2-CD1 3.95Å; Y661-L665 HydrophobicContact CE2-CD2 4.36Å; Y661-L665 HydrophobicContact CE2-CG 4.13Å; Y661-L665 WeakPolarHBondContact O-CG 3.49Å; Y661-L665 PolarHBondContact O-N 3.12Å; Y661-R679 PolarHBondContact OH-NH2 2.85Å; Y661-C683 HydrophobicContact CD1-CB 4.39Å; Y661-C683 WeakPolarHBondContact CD1-SG 3.33Å; Y661-C683 VanDerWaalsContact CE1-SG 3.55Å
662	A	85.9	Confident	78.6	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-44.7	175.5	0	0	0	0	0	111.6	W658 N659 L664 L665 V666 C683 L684	W658-A662 WeakPolarHBondContact O-CB 3.44Å; W658-A662 PolarHBondContact O-N 2.75Å; N659-A662 WeakPolarHBondContact O-CB 3.42Å; N659-A662 PolarHBondContact O-N 3.45Å; N659-A662 VanDerWaalsContact O-N 3.13Å; A662-L664 VanDerWaalsContact C-N 3.28Å; A662-L664 PolarHBondContact O-N 2.83Å; A662-L665 PolarHBondContact O-N 2.85Å; A662-V666 WeakPolarHBondContact O-CB 3.25Å; A662-V666 VanDerWaalsContact O-CG2 3.23Å; A662-V666 WeakPolarHBondContact O-CG2 3.38Å; A662-V666 PolarHBondContact O-N 2.87Å; A662-C683 HydrophobicContact CB-CB 3.95Å; A662-L684 HydrophobicContact CB-CD2 3.45Å; A662-L684 VanDerWaalsContact CB-CD2 3.45Å; A662-L684 HydrophobicContact CB-CG 3.58Å
663	H	85.8	Confident	77.8	Confident	93 Å²	93	47.3 Å²	47.3	43%	0.431	26%	0.255	S	S	.	.	H	α-helix	trans	-57.1	-41.3	177.1	-76.1	-58.5	0	0	0	112.4	V618 I622 N659 E660 L665 V666 D667	V618-H663 HydrophobicContact CG1-CB 4.41Å; I622-H663 HydrophobicContact CD1-CB 4.44Å; N659-H663 PolarHBondContact O-CD2 2.87Å; N659-H663 PolarHBondContact O-N 3.22Å; E660-H663 PolarHBondContact O-N 3.39Å; H663-L665 VanDerWaalsContact C-N 3.32Å; H663-L665 PolarHBondContact O-N 3.21Å; H663-V666 PolarHBondContact O-N 2.82Å; H663-D667 PolarHBondContact O-N 3.18Å
664	L	85.6	Confident	77.3	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.4	-34.3	176.4	-173.2	63.2	0	0	0	113.2	V618 V621 R637 L640 L641 F644 E660 Y661 A662	V618-L664 HydrophobicContact CG1-CB 4.41Å; V618-L664 HydrophobicContact CG2-CB 4.38Å; V621-L664 HydrophobicContact CB-CD1 4.28Å; V621-L664 HydrophobicContact CG1-CD1 3.86Å; R637-L664 HydrophobicContact CG-CD1 4.13Å; L640-L664 HydrophobicContact CB-CD2 4.12Å; L640-L664 HydrophobicContact CD2-CD1 4.12Å; L640-L664 HydrophobicContact CD2-CD2 3.66Å; L640-L664 HydrophobicContact CG-CD2 3.63Å; L641-L664 HydrophobicContact CD2-CD2 3.67Å; L641-L664 HydrophobicContact CD2-CG 3.89Å; L641-L664 HydrophobicContact CG-CD2 4Å; L641-L664 HydrophobicContact CG-CG 4.4Å; F644-L664 HydrophobicContact CD2-CD2 3.83Å; F644-L664 HydrophobicContact CE2-CD2 3.96Å; E660-L664 PolarHBondContact O-N 3.29Å; E660-L664 VanDerWaalsContact O-N 3.08Å; Y661-L664 PolarHBondContact O-N 2.97Å; A662-L664 VanDerWaalsContact C-N 3.28Å; A662-L664 PolarHBondContact O-N 2.83Å
665	L	84.3	Confident	77	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-77.7	-38.1	177.5	-68.2	167.3	0	0	0	112.4	L641 Y661 A662 H663 D667 E668 T676 R679 A680	L641-L665 HydrophobicContact CD2-CD2 3.55Å; L641-L665 HydrophobicContact CD2-CG 4.06Å; Y661-L665 HydrophobicContact CD2-CD1 4.09Å; Y661-L665 HydrophobicContact CD2-CG 4.24Å; Y661-L665 HydrophobicContact CE2-CD1 3.95Å; Y661-L665 HydrophobicContact CE2-CD2 4.36Å; Y661-L665 HydrophobicContact CE2-CG 4.13Å; Y661-L665 WeakPolarHBondContact O-CG 3.49Å; Y661-L665 PolarHBondContact O-N 3.12Å; A662-L665 PolarHBondContact O-N 2.85Å; H663-L665 VanDerWaalsContact C-N 3.32Å; H663-L665 PolarHBondContact O-N 3.21Å; L665-D667 VanDerWaalsContact C-N 3.34Å; L665-E668 PolarHBondContact O-N 2.99Å; L665-T676 HydrophobicContact CB-CG2 4.43Å; L665-T676 HydrophobicContact CD2-CG2 3.81Å; L665-R679 HydrophobicContact CD1-CB 4.12Å; L665-A680 HydrophobicContact CB-CB 3.86Å; L665-A680 HydrophobicContact CD1-CB 4.3Å
666	V	76.9	Confident	76.6	Confident	43 Å²	43	44.2 Å²	44.2	26%	0.261	24%	0.238	S	C	.	.	H	α-helix	trans	-67.1	-35.6	-179.5	169.9	0	0	0	0	111.3	A662 H663 E668 L669 A680 L719	A662-V666 WeakPolarHBondContact O-CB 3.25Å; A662-V666 VanDerWaalsContact O-CG2 3.23Å; A662-V666 WeakPolarHBondContact O-CG2 3.38Å; A662-V666 PolarHBondContact O-N 2.87Å; H663-V666 PolarHBondContact O-N 2.82Å; V666-E668 PolarHBondContact O-N 3.14Å; V666-E668 VanDerWaalsContact O-N 3.14Å; V666-L669 HydrophobicContact CB-CD1 4.38Å; V666-L669 HydrophobicContact CG1-CD1 3.66Å; V666-L669 VanDerWaalsContact O-CB 3.29Å; V666-L669 WeakPolarHBondContact O-CB 3.39Å; V666-L669 WeakPolarHBondContact O-CD1 3.44Å; V666-L669 WeakPolarHBondContact O-CG 3.25Å; V666-L669 PolarHBondContact O-N 3.04Å; V666-L669 VanDerWaalsContact O-N 3.12Å; V666-A680 HydrophobicContact CG2-CB 4.07Å; V666-L719 HydrophobicContact CG1-CD1 4.27Å; V666-L719 HydrophobicContact CG2-CD1 3.66Å; V666-L719 HydrophobicContact CG2-CD2 3.95Å; V666-L719 HydrophobicContact CG2-CG 4.41Å
667	D	70	Confident	76.3	Confident	58 Å²	58	41 Å²	41	31%	0.31	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23	177	-171.6	54.4	0	0	0	113.5	I622 R637 H663 L665 L669	I622-D667 HydrophobicContact CG1-CB 4.2Å; R637-D667 IonicContact CZ-OD2 2.83Å; R637-D667 IonicContact NH2-OD2 3.08Å; R637-D667 PolarHBondContact NH2-OD2 3.23Å; H663-D667 PolarHBondContact O-N 3.18Å; L665-D667 VanDerWaalsContact C-N 3.34Å; D667-L669 VanDerWaalsContact C-N 3.28Å; D667-L669 PolarHBondContact O-N 2.86Å
668	E	64.8	Low	76.1	Confident	69 Å²	69	43.9 Å²	43.9	32%	0.322	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-8.4	178.6	-158.5	172	-158	0	0	113.8	L665 V666 P670 Q671 T672	L665-E668 PolarHBondContact O-N 2.99Å; V666-E668 PolarHBondContact O-N 3.14Å; V666-E668 VanDerWaalsContact O-N 3.14Å; E668-P670 VanDerWaalsContact C-N 3.28Å; E668-P670 WeakPolarHBondContact O-CD 3.49Å; E668-Q671 PolarHBondContact O-N 3.05Å; E668-T672 HydrophobicContact CB-CG2 3.98Å; E668-T672 HydrophobicContact CG-CG2 4.2Å; E668-T672 WeakPolarHBondContact O-CG2 3.31Å
669	L	55.9	Low	75.8	Confident	41 Å²	41	48 Å²	48	22%	0.215	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-45.7	-33.8	-171	-81.7	164.5	0	0	0	116.5	V666 D667 Q671 T672 Y677 L719 P724	V666-L669 HydrophobicContact CB-CD1 4.38Å; V666-L669 HydrophobicContact CG1-CD1 3.66Å; V666-L669 VanDerWaalsContact O-CB 3.29Å; V666-L669 WeakPolarHBondContact O-CB 3.39Å; V666-L669 WeakPolarHBondContact O-CD1 3.44Å; V666-L669 WeakPolarHBondContact O-CG 3.25Å; V666-L669 PolarHBondContact O-N 3.04Å; V666-L669 VanDerWaalsContact O-N 3.12Å; D667-L669 VanDerWaalsContact C-N 3.28Å; D667-L669 PolarHBondContact O-N 2.86Å; L669-Q671 PolarHBondContact O-N 3.44Å; L669-Q671 VanDerWaalsContact O-N 3.1Å; L669-T672 PolarHBondContact O-OG1 3Å; L669-T672 VanDerWaalsContact O-OG1 3.05Å; L669-Y677 HydrophobicContact CD2-CD2 4.22Å; L669-L719 HydrophobicContact CD1-CD1 4.14Å; L669-P724 HydrophobicContact CD2-CB 3.83Å; L669-P724 HydrophobicContact CD2-CG 4.32Å
670	P	55.4	Low	75.7	Confident	118 Å²	118	47.5 Å²	47.5	77%	0.766	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-61.1	-18.6	177.3	-22.2	32.8	0	0	0	115.1	E668	E668-P670 VanDerWaalsContact C-N 3.28Å; E668-P670 WeakPolarHBondContact O-CD 3.49Å
671	Q	52.2	Low	75.6	Confident	134 Å²	134	46.1 Å²	46.1	63%	0.626	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-136.3	29.7	-177.7	-64.6	-139	15.3	0	0	114.7	E668 L669	E668-Q671 PolarHBondContact O-N 3.05Å; L669-Q671 PolarHBondContact O-N 3.44Å; L669-Q671 VanDerWaalsContact O-N 3.1Å
672	T	57.8	Low	75.5	Confident	9 Å²	9	50.9 Å²	50.9	6%	0.055	26%	0.261	C	S	.	.			trans	-83.3	152.8	-168.2	38.3	0	0	0	0	116.5	E668 L669 T676 P724	E668-T672 HydrophobicContact CB-CG2 3.98Å; E668-T672 HydrophobicContact CG-CG2 4.2Å; E668-T672 WeakPolarHBondContact O-CG2 3.31Å; L669-T672 PolarHBondContact O-OG1 3Å; L669-T672 VanDerWaalsContact O-OG1 3.05Å; T672-T676 HydrophobicContact CG2-CG2 4.07Å; T672-P724 WeakPolarHBondContact OG1-CB 3.2Å
673	T	68.6	Low	75.6	Confident	86 Å²	86	51 Å²	51	53%	0.528	26%	0.262	S	S	.	.			trans	-89.1	147.6	162.4	-46.1	0	0	0	0	109.9	T675 T676	T673-T675 HydrophobicContact CG2-CG2 4.49Å; T673-T675 WeakPolarHBondContact CG2-OG1 3.49Å; T673-T675 PolarHBondContact O-N 2.75Å; T673-T676 PolarHBondContact O-N 3.12Å
674	Y	74.1	Confident	75.6	Confident	31 Å²	31	47.1 Å²	47.1	12%	0.122	24%	0.244	C	C	.	.	H	α-helix	trans	-44.7	-38.1	174	172.7	-126.7	0	0	0	113.9	T676 Y677 Q678 Q738 L739 F742	Y674-T676 PolarHBondContact O-N 3.3Å; Y674-Y677 PolarHBondContact O-N 3.46Å; Y674-Q678 HydrophobicContact CD2-CG 4.39Å; Y674-Q678 HydrophobicContact CE2-CG 3.94Å; Y674-Q678 PolarHBondContact O-N 3.03Å; Y674-Q678 PolarHBondContact OH-NE2 3.16Å; Y674-Q738 HydrophobicContact CE1-CB 4.13Å; Y674-Q738 PolarHBondContact OH-O 2.81Å; Y674-L739 HydrophobicContact CD2-CB 4.13Å; Y674-L739 HydrophobicContact CD2-CD1 3.8Å; Y674-L739 HydrophobicContact CE2-CB 3.91Å; Y674-L739 HydrophobicContact CE2-CD1 3.77Å; Y674-L739 HydrophobicContact CE2-CG 4.46Å; Y674-F742 HydrophobicContact CE2-CB 4.49Å
675	T	78.4	Confident	75.8	Confident	74 Å²	74	49.7 Å²	49.7	45%	0.454	26%	0.256	S	S	.	.	H	α-helix	trans	-64.9	-36.9	179.6	54.8	0	0	0	0	113.9	T673 R679	T673-T675 HydrophobicContact CG2-CG2 4.49Å; T673-T675 WeakPolarHBondContact CG2-OG1 3.49Å; T673-T675 PolarHBondContact O-N 2.75Å; T675-R679 VanDerWaalsContact O-CG 3.29Å; T675-R679 WeakPolarHBondContact O-CG 3.4Å; T675-R679 PolarHBondContact O-N 2.92Å; T675-R679 VanDerWaalsContact O-N 3.13Å
676	T	77.5	Confident	75.9	Confident	16 Å²	16	50.3 Å²	50.3	10%	0.098	26%	0.261	C	S	.	.	H	α-helix	trans	-68.3	-39	178.1	-56.3	0	0	0	0	110.8	L665 T672 T673 Y674 R679 A680	L665-T676 HydrophobicContact CB-CG2 4.43Å; L665-T676 HydrophobicContact CD2-CG2 3.81Å; T672-T676 HydrophobicContact CG2-CG2 4.07Å; T673-T676 PolarHBondContact O-N 3.12Å; Y674-T676 PolarHBondContact O-N 3.3Å; T676-R679 WeakPolarHBondContact O-CB 3.33Å; T676-R679 PolarHBondContact O-N 2.82Å; T676-A680 PolarHBondContact O-N 3.39Å
677	Y	82.2	Confident	76.3	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-62.7	-47.4	175.7	179.6	-104.5	0	0	0	112.1	L669 Y674 R679 A680 V681 L719 L720 P724 L739 F742 I743	L669-Y677 HydrophobicContact CD2-CD2 4.22Å; Y674-Y677 PolarHBondContact O-N 3.46Å; Y677-R679 VanDerWaalsContact C-N 3.27Å; Y677-R679 PolarHBondContact O-N 3.29Å; Y677-A680 PolarHBondContact O-N 2.99Å; Y677-A680 VanDerWaalsContact O-N 3.16Å; Y677-V681 HydrophobicContact CE1-CG2 4.11Å; Y677-V681 HydrophobicContact CE2-CG2 4.38Å; Y677-V681 PolarHBondContact O-N 3.24Å; Y677-L719 HydrophobicContact CD2-CD1 4.34Å; Y677-L719 HydrophobicContact CE2-CD1 3.91Å; Y677-L719 HydrophobicContact CE2-CG 4Å; Y677-L719 PolarHBondContact OH-O 3.37Å; Y677-L720 WeakPolarHBondContact OH-CA 3.45Å; Y677-P724 VanDerWaalsContact CD2-CD 3.43Å; Y677-P724 HydrophobicContact CD2-CG 4.07Å; Y677-P724 HydrophobicContact CG-CG 4.02Å; Y677-L739 HydrophobicContact CD1-CD1 3.74Å; Y677-L739 HydrophobicContact CE1-CD1 3.83Å; Y677-F742 HydrophobicContact CD1-CD1 4.41Å; Y677-F742 HydrophobicContact CD1-CE1 4.27Å; Y677-F742 HydrophobicContact CE1-CD1 4.22Å; Y677-F742 HydrophobicContact CE1-CE1 4.17Å; Y677-I743 HydrophobicContact CE1-CD1 4.48Å; Y677-I743 HydrophobicContact CE1-CG1 4.07Å
678	Q	84	Confident	77.1	Confident	61 Å²	61	46.3 Å²	46.3	29%	0.285	24%	0.238	S	C	.	.	H	α-helix	trans	-57	-42.4	175	-70.8	-173.7	-30.1	0	0	112.1	Y674 V681 H682 F742	Y674-Q678 HydrophobicContact CD2-CG 4.39Å; Y674-Q678 HydrophobicContact CE2-CG 3.94Å; Y674-Q678 PolarHBondContact O-N 3.03Å; Y674-Q678 PolarHBondContact OH-NE2 3.16Å; Q678-V681 PolarHBondContact O-N 2.88Å; Q678-H682 WeakPolarHBondContact O-CB 3.48Å; Q678-H682 PolarHBondContact O-N 3.45Å; Q678-F742 HydrophobicContact CB-CE1 4.28Å; Q678-F742 HydrophobicContact CB-CE2 4.34Å; Q678-F742 HydrophobicContact CB-CZ 3.97Å; Q678-F742 HydrophobicContact CG-CD1 4.05Å; Q678-F742 HydrophobicContact CG-CD2 4.16Å; Q678-F742 HydrophobicContact CG-CE1 3.89Å; Q678-F742 HydrophobicContact CG-CE2 4Å; Q678-F742 HydrophobicContact CG-CG 4.19Å; Q678-F742 HydrophobicContact CG-CZ 3.87Å
679	R	85.3	Confident	78	Confident	115 Å²	115	50.5 Å²	50.5	43%	0.434	25%	0.251	S	S	.	.	H	α-helix	trans	-62.7	-42.7	176.9	-72.2	169.9	66	-172.2	4.1	111.9	Y661 L665 T675 T676 Y677 H682 C683	Y661-R679 PolarHBondContact OH-NH2 2.85Å; L665-R679 HydrophobicContact CD1-CB 4.12Å; T675-R679 VanDerWaalsContact O-CG 3.29Å; T675-R679 WeakPolarHBondContact O-CG 3.4Å; T675-R679 PolarHBondContact O-N 2.92Å; T675-R679 VanDerWaalsContact O-N 3.13Å; T676-R679 WeakPolarHBondContact O-CB 3.33Å; T676-R679 PolarHBondContact O-N 2.82Å; Y677-R679 VanDerWaalsContact C-N 3.27Å; Y677-R679 PolarHBondContact O-N 3.29Å; R679-H682 PolarHBondContact O-N 3.4Å; R679-C683 WeakPolarHBondContact O-CB 3.24Å; R679-C683 PolarHBondContact O-N 3.01Å; R679-C683 PolarHBondContact O-SG 3.02Å
680	A	85.4	Confident	79.3	Confident	3 Å²	3	49.3 Å²	49.3	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-46.2	178	0	0	0	0	0	111.8	L665 V666 T676 Y677 H682 C683 L684 L719	L665-A680 HydrophobicContact CB-CB 3.86Å; L665-A680 HydrophobicContact CD1-CB 4.3Å; V666-A680 HydrophobicContact CG2-CB 4.07Å; T676-A680 PolarHBondContact O-N 3.39Å; Y677-A680 PolarHBondContact O-N 2.99Å; Y677-A680 VanDerWaalsContact O-N 3.16Å; A680-H682 PolarHBondContact O-N 3.43Å; A680-C683 PolarHBondContact O-N 3.23Å; A680-L684 PolarHBondContact O-N 3.27Å; A680-L684 VanDerWaalsContact O-N 3.08Å; A680-L719 HydrophobicContact CB-CD2 3.94Å
681	V	86.4	Confident	80.6	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-46.5	175.7	172.6	0	0	0	0	111	Y677 Q678 C683 L684 Q685 L716 L719 L720 F742 A746	Y677-V681 HydrophobicContact CE1-CG2 4.11Å; Y677-V681 HydrophobicContact CE2-CG2 4.38Å; Y677-V681 PolarHBondContact O-N 3.24Å; Q678-V681 PolarHBondContact O-N 2.88Å; V681-C683 VanDerWaalsContact C-N 3.32Å; V681-C683 PolarHBondContact O-N 3.2Å; V681-L684 PolarHBondContact O-N 3.5Å; V681-Q685 WeakPolarHBondContact O-CG 3.34Å; V681-Q685 PolarHBondContact O-N 3.18Å; V681-L716 HydrophobicContact CG1-CD1 4.19Å; V681-L719 HydrophobicContact CG2-CD2 3.8Å; V681-L719 HydrophobicContact CG2-CG 4.27Å; V681-L720 HydrophobicContact CG1-CD2 4.22Å; V681-L720 HydrophobicContact CG2-CD2 3.98Å; V681-F742 HydrophobicContact CB-CE1 4.02Å; V681-F742 HydrophobicContact CB-CZ 4Å; V681-F742 HydrophobicContact CG1-CE1 4.08Å; V681-F742 HydrophobicContact CG1-CZ 3.92Å; V681-F742 HydrophobicContact CG2-CE1 4.07Å; V681-A746 HydrophobicContact CG1-CB 4.06Å
682	H	88.6	Confident	82	Confident	112 Å²	112	41.1 Å²	41.1	52%	0.519	20%	0.196	S	C	.	.	H	α-helix	trans	-61.1	-39.6	177.3	-179.9	-87.5	0	0	0	112.3	Q678 R679 A680 Q685 A686	Q678-H682 WeakPolarHBondContact O-CB 3.48Å; Q678-H682 PolarHBondContact O-N 3.45Å; R679-H682 PolarHBondContact O-N 3.4Å; A680-H682 PolarHBondContact O-N 3.43Å; H682-Q685 PolarHBondContact O-N 2.89Å; H682-A686 WeakPolarHBondContact O-CB 3.37Å; H682-A686 PolarHBondContact O-N 3.48Å
683	C	88.1	Confident	83	Confident	4 Å²	4	46.3 Å²	46.3	3%	0.027	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-44.2	177.2	-67.7	0	0	0	0	112	W658 Y661 A662 R679 A680 V681 A686 A687	W658-C683 HydrophobicContact CE3-CB 4.02Å; Y661-C683 HydrophobicContact CD1-CB 4.39Å; Y661-C683 WeakPolarHBondContact CD1-SG 3.33Å; Y661-C683 VanDerWaalsContact CE1-SG 3.55Å; A662-C683 HydrophobicContact CB-CB 3.95Å; R679-C683 WeakPolarHBondContact O-CB 3.24Å; R679-C683 PolarHBondContact O-N 3.01Å; R679-C683 PolarHBondContact O-SG 3.02Å; A680-C683 PolarHBondContact O-N 3.23Å; V681-C683 VanDerWaalsContact C-N 3.32Å; V681-C683 PolarHBondContact O-N 3.2Å; C683-A686 WeakPolarHBondContact O-CB 3.5Å; C683-A686 PolarHBondContact O-N 3.49Å; C683-A687 PolarHBondContact O-N 3.11Å
684	L	86.8	Confident	82.9	Confident	10 Å²	10	44.2 Å²	44.2	5%	0.052	21%	0.208	C	C	.	.	H	α-helix	trans	-64.9	-39.1	175.5	-70.9	179.5	0	0	0	112.3	A662 A680 V681 A686 A687 H688 L716 L719	A662-L684 HydrophobicContact CB-CD2 3.45Å; A662-L684 VanDerWaalsContact CB-CD2 3.45Å; A662-L684 HydrophobicContact CB-CG 3.58Å; A680-L684 PolarHBondContact O-N 3.27Å; A680-L684 VanDerWaalsContact O-N 3.08Å; V681-L684 PolarHBondContact O-N 3.5Å; L684-A686 VanDerWaalsContact C-N 3.34Å; L684-A687 WeakPolarHBondContact O-CB 3.3Å; L684-A687 PolarHBondContact O-N 3.03Å; L684-H688 WeakPolarHBondContact O-CB 3.4Å; L684-H688 PolarHBondContact O-N 3.44Å; L684-L716 HydrophobicContact CB-CB 4.44Å; L684-L716 HydrophobicContact CB-CD1 3.96Å; L684-L716 HydrophobicContact CD1-CB 4.32Å; L684-L716 HydrophobicContact CD1-CD1 4.2Å; L684-L719 HydrophobicContact CD1-CB 4.28Å; L684-L719 HydrophobicContact CD1-CD2 3.67Å
685	Q	88.4	Confident	82.3	Confident	54 Å²	54	48.6 Å²	48.6	25%	0.252	24%	0.244	S	C	.	.	H	α-helix	trans	-62.1	-41.9	173.5	-72.5	176.3	-14.3	0	0	111.8	V681 H682 H688 R689 L716	V681-Q685 WeakPolarHBondContact O-CG 3.34Å; V681-Q685 PolarHBondContact O-N 3.18Å; H682-Q685 PolarHBondContact O-N 2.89Å; Q685-H688 PolarHBondContact O-N 3.37Å; Q685-R689 WeakPolarHBondContact O-CB 3.24Å; Q685-R689 PolarHBondContact O-N 2.82Å; Q685-L716 HydrophobicContact CG-CD1 4.49Å; Q685-L716 HydrophobicContact CG-CD2 4.03Å
686	A	87.1	Confident	81.3	Confident	16 Å²	16	52.6 Å²	52.6	13%	0.132	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-43	174.8	0	0	0	0	0	111.7	W658 H682 C683 L684 H688 R689 C690	W658-A686 HydrophobicContact CD2-CB 3.74Å; W658-A686 HydrophobicContact CE3-CB 4.05Å; W658-A686 HydrophobicContact CG-CB 4.06Å; W658-A686 HydrophobicContact CZ2-CB 4.26Å; W658-A686 HydrophobicContact CZ3-CB 4.42Å; H682-A686 WeakPolarHBondContact O-CB 3.37Å; H682-A686 PolarHBondContact O-N 3.48Å; C683-A686 WeakPolarHBondContact O-CB 3.5Å; C683-A686 PolarHBondContact O-N 3.49Å; L684-A686 VanDerWaalsContact C-N 3.34Å; A686-H688 PolarHBondContact O-N 2.97Å; A686-R689 PolarHBondContact O-N 3.24Å; A686-C690 PolarHBondContact O-N 2.98Å; A686-C690 PolarHBondContact O-SG 3.49Å
687	A	85.5	Confident	80.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.1	-48.2	175.5	0	0	0	0	0	111.8	A655 W658 N659 C683 L684 C690 R691	A655-A687 WeakPolarHBondContact CB-O 3.34Å; W658-A687 HydrophobicContact CB-CB 3.54Å; N659-A687 WeakPolarHBondContact OD1-CB 3.37Å; C683-A687 PolarHBondContact O-N 3.11Å; L684-A687 WeakPolarHBondContact O-CB 3.3Å; L684-A687 PolarHBondContact O-N 3.03Å; A687-C690 PolarHBondContact O-N 2.93Å; A687-R691 WeakPolarHBondContact O-CG 3.37Å; A687-R691 PolarHBondContact O-N 2.91Å; A687-R691 VanDerWaalsContact O-N 3.14Å
688	H	85.8	Confident	80.4	Confident	17 Å²	17	56.9 Å²	56.9	8%	0.079	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-44.3	177.3	173.7	-91.4	0	0	0	111.9	L684 Q685 A686 C690 R691 I692	L684-H688 WeakPolarHBondContact O-CB 3.4Å; L684-H688 PolarHBondContact O-N 3.44Å; Q685-H688 PolarHBondContact O-N 3.37Å; A686-H688 PolarHBondContact O-N 2.97Å; H688-C690 VanDerWaalsContact C-N 3.3Å; H688-C690 PolarHBondContact O-N 3.4Å; H688-R691 PolarHBondContact O-N 2.89Å; H688-I692 WeakPolarHBondContact CE1-CD1 3.21Å; H688-I692 WeakPolarHBondContact NE2-CD1 3.48Å; H688-I692 PolarHBondContact O-N 3.37Å
689	R	85.2	Confident	80	Confident	157 Å²	157	54.5 Å²	54.5	59%	0.592	28%	0.281	S	S	*	.	H	α-helix	trans	-57.6	-43.5	175.6	-180	178.2	173.7	167.1	-0.2	111.7	Q685 A686 R691 I692 Q693	Q685-R689 WeakPolarHBondContact O-CB 3.24Å; Q685-R689 PolarHBondContact O-N 2.82Å; A686-R689 PolarHBondContact O-N 3.24Å; R689-R691 PolarHBondContact O-N 3.26Å; R689-I692 PolarHBondContact O-N 3.03Å; R689-Q693 HydrophobicContact CG-CG 4.36Å; R689-Q693 WeakPolarHBondContact O-CB 3.44Å; R689-Q693 WeakPolarHBondContact O-CG 3.37Å; R689-Q693 PolarHBondContact O-N 3.31Å
690	C	82.9	Confident	79.3	Confident	16 Å²	16	50.7 Å²	50.7	11%	0.108	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-39.7	178.1	-65.5	0	0	0	0	112.3	P652 A655 A686 A687 H688 I692 Q693 S694	P652-C690 PolarHBondContact O-SG 3.41Å; A655-C690 HydrophobicContact CB-CB 3.88Å; A686-C690 PolarHBondContact O-N 2.98Å; A686-C690 PolarHBondContact O-SG 3.49Å; A687-C690 PolarHBondContact O-N 2.93Å; H688-C690 VanDerWaalsContact C-N 3.3Å; H688-C690 PolarHBondContact O-N 3.4Å; C690-I692 PolarHBondContact O-N 3.04Å; C690-Q693 PolarHBondContact O-N 2.91Å; C690-S694 PolarHBondContact O-N 3.28Å; C690-S694 VanDerWaalsContact O-N 3.16Å
691	R	83.4	Confident	78.7	Confident	49 Å²	49	55.4 Å²	55.4	19%	0.185	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-43.8	177.3	-68.3	178.1	176.1	157.9	-6	112.2	A655 N659 A687 H688 R689 S694 T708 I709 G712	A655-R691 HydrophobicContact CB-CG 3.52Å; N659-R691 PolarHBondContact ND2-NH2 2.88Å; A687-R691 WeakPolarHBondContact O-CG 3.37Å; A687-R691 PolarHBondContact O-N 2.91Å; A687-R691 VanDerWaalsContact O-N 3.14Å; H688-R691 PolarHBondContact O-N 2.89Å; R689-R691 PolarHBondContact O-N 3.26Å; R691-S694 PolarHBondContact O-OG 3.45Å; R691-T708 VanDerWaalsContact CZ-O 3.3Å; R691-T708 PolarHBondContact NH1-O 3.17Å; R691-I709 HydrophobicContact CB-CD1 4.46Å; R691-I709 HydrophobicContact CB-CG1 3.92Å; R691-G712 VanDerWaalsContact NH1-CA 3.27Å
692	I	81.1	Confident	78.2	Confident	31 Å²	31	57.5 Å²	57.5	16%	0.159	30%	0.304	C	S	.	.	H	α-helix	trans	-70.6	-35.6	179.8	-65.8	-175.2	0	0	0	112.4	H688 R689 C690 S694 W699 V757	H688-I692 WeakPolarHBondContact CE1-CD1 3.21Å; H688-I692 WeakPolarHBondContact NE2-CD1 3.48Å; H688-I692 PolarHBondContact O-N 3.37Å; R689-I692 PolarHBondContact O-N 3.03Å; C690-I692 PolarHBondContact O-N 3.04Å; I692-S694 VanDerWaalsContact C-N 3.33Å; I692-W699 HydrophobicContact CG1-CZ2 4.45Å; I692-W699 HydrophobicContact CG2-CZ2 4.49Å; I692-W699 PolarHBondContact O-NE1 2.89Å; I692-V757 HydrophobicContact CD1-CG2 3.73Å
693	Q	78	Confident	77.6	Confident	118 Å²	118	55.1 Å²	55.1	55%	0.551	30%	0.298	S	S	*	.	H	α-helix	trans	-85.6	-0.3	-177.3	-68.4	-174.1	-25.8	0	0	113.8	R689 C690 S695	R689-Q693 HydrophobicContact CG-CG 4.36Å; R689-Q693 WeakPolarHBondContact O-CB 3.44Å; R689-Q693 WeakPolarHBondContact O-CG 3.37Å; R689-Q693 PolarHBondContact O-N 3.31Å; C690-Q693 PolarHBondContact O-N 2.91Å; Q693-S695 PolarHBondContact O-N 2.96Å
694	S	67.7	Low	77.1	Confident	42 Å²	42	62.4 Å²	62.4	29%	0.294	33%	0.329	S	S	.	.			trans	-54.8	132.7	-176	59.6	0	0	0	0	112.6	C690 R691 I692 E696	C690-S694 PolarHBondContact O-N 3.28Å; C690-S694 VanDerWaalsContact O-N 3.16Å; R691-S694 PolarHBondContact O-OG 3.45Å; I692-S694 VanDerWaalsContact C-N 3.33Å; S694-E696 VanDerWaalsContact C-N 3.28Å; S694-E696 PolarHBondContact O-N 3.46Å
695	S	61.2	Low	76.8	Confident	123 Å²	123	64.7 Å²	64.7	86%	0.86	34%	0.338	S	S	*	.	S	Bend	trans	-79.6	-8.3	-175.8	-43.9	0	0	0	0	113.8	Q693 G697	Q693-S695 PolarHBondContact O-N 2.96Å; S695-G697 PolarHBondContact O-N 2.92Å
696	E	56.7	Low	76.3	Confident	159 Å²	159	62.2 Å²	62.2	74%	0.743	33%	0.327	S	S	*	.	S	Bend	trans	-82.1	34.5	-171.5	-60.8	-177.9	165.8	0	0	114	S694 K705	S694-E696 VanDerWaalsContact C-N 3.28Å; S694-E696 PolarHBondContact O-N 3.46Å; E696-K705 IonicContact OE2-NZ 3.15Å
697	G	67.8	Low	76	Confident	38 Å²	38	66.6 Å²	66.6	39%	0.392	34%	0.344	S	S	.	.	S	Bend	trans	88.6	178.3	178	0	0	0	0	0	115.2	S695 W699	S695-G697 PolarHBondContact O-N 2.92Å; G697-W699 PolarHBondContact O-N 3.35Å
698	P	72.4	Confident	75.9	Confident	70 Å²	70	69.5 Å²	69.5	46%	0.455	36%	0.362	S	S	.	.			trans	-66.4	107.1	-173.9	27.1	-33.7	0	0	0	110.7	E700 Q701	P698-E700 PolarHBondContact O-N 3.39Å; P698-Q701 HydrophobicContact CB-CG 4.3Å; P698-Q701 HydrophobicContact CG-CG 4.14Å; P698-Q701 PolarHBondContact O-N 3.47Å
699	W	76.1	Confident	75.8	Confident	11 Å²	11	68.8 Å²	68.8	4%	0.042	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-63.1	-23.4	177	54.4	-98	0	0	0	112.6	I692 G697 Q701 S702 K705 I709 V757 K760 M761	I692-W699 HydrophobicContact CG1-CZ2 4.45Å; I692-W699 HydrophobicContact CG2-CZ2 4.49Å; I692-W699 PolarHBondContact O-NE1 2.89Å; G697-W699 PolarHBondContact O-N 3.35Å; W699-Q701 PolarHBondContact O-N 2.9Å; W699-S702 PolarHBondContact O-N 3.3Å; W699-S702 VanDerWaalsContact O-N 3.16Å; W699-K705 HydrophobicContact CB-CB 4.09Å; W699-K705 HydrophobicContact CB-CD 4Å; W699-I709 HydrophobicContact CB-CD1 4.42Å; W699-I709 HydrophobicContact CD2-CD1 3.64Å; W699-I709 HydrophobicContact CE3-CD1 3.37Å; W699-I709 HydrophobicContact CG-CD1 4.11Å; W699-I709 HydrophobicContact CZ3-CD1 3.88Å; W699-V757 HydrophobicContact CH2-CB 4.45Å; W699-V757 HydrophobicContact CH2-CG1 3.91Å; W699-V757 HydrophobicContact CH2-CG2 4.42Å; W699-V757 HydrophobicContact CZ3-CG1 4.17Å; W699-K760 HydrophobicContact CH2-CB 4.04Å; W699-K760 HydrophobicContact CH2-CD 4.26Å; W699-K760 HydrophobicContact CZ2-CB 4.18Å; W699-K760 HydrophobicContact CZ2-CD 3.61Å; W699-M761 HydrophobicContact CH2-CG 4.42Å; W699-M761 HydrophobicContact CZ3-CG 4.06Å
700	E	71.7	Confident	75.7	Confident	34 Å²	34	61.7 Å²	61.7	16%	0.159	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-60.3	-22.9	178.6	-61.8	154.3	-165	0	0	113.2	P698 K760 A764	P698-E700 PolarHBondContact O-N 3.39Å; E700-K760 HydrophobicContact CG-CB 4.35Å; E700-K760 VanDerWaalsContact OE1-CB 3.25Å; E700-K760 WeakPolarHBondContact OE1-CB 3.18Å; E700-A764 HydrophobicContact CB-CB 3.53Å; E700-A764 HydrophobicContact CG-CB 4.24Å
701	Q	71.5	Confident	75.8	Confident	103 Å²	103	65.3 Å²	65.3	48%	0.481	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-92.8	-8.6	-178.4	-63.7	179.5	-3.5	0	0	113.3	P698 W699 I768	P698-Q701 HydrophobicContact CB-CG 4.3Å; P698-Q701 HydrophobicContact CG-CG 4.14Å; P698-Q701 PolarHBondContact O-N 3.47Å; W699-Q701 PolarHBondContact O-N 2.9Å; Q701-I768 HydrophobicContact CG-CD1 3.82Å; Q701-I768 HydrophobicContact CG-CG1 4.31Å
702	S	76.8	Confident	75.8	Confident	43 Å²	43	63.3 Å²	63.3	30%	0.301	35%	0.346	S	S	.	.			trans	-110.1	113.2	-173.3	179.9	0	0	0	0	110.7	W699 K704 K705 C706	W699-S702 PolarHBondContact O-N 3.3Å; W699-S702 VanDerWaalsContact O-N 3.16Å; S702-K704 VanDerWaalsContact C-N 3.35Å; S702-K704 PolarHBondContact O-N 3.34Å; S702-K705 PolarHBondContact O-N 2.95Å; S702-C706 PolarHBondContact O-N 2.9Å
703	T	75.3	Confident	76.1	Confident	63 Å²	63	62 Å²	62	39%	0.387	34%	0.339	S	S	.	.	H	α-helix	trans	-50.4	-51.8	-179.8	58.1	0	0	0	0	112.2	K705 C706 E707 M776	T703-K705 VanDerWaalsContact C-N 3.33Å; T703-K705 PolarHBondContact O-N 2.97Å; T703-C706 PolarHBondContact O-N 3.05Å; T703-E707 WeakPolarHBondContact O-CG 3.48Å; T703-E707 PolarHBondContact O-N 2.99Å; T703-M776 HydrophobicContact CG2-CE 3.86Å; T703-M776 HydrophobicContact CG2-CG 3.75Å; T703-M776 HydrophobicContact CG2-SD 4.13Å
704	K	78.6	Confident	76.4	Confident	156 Å²	156	59.4 Å²	59.4	68%	0.678	33%	0.326	S	S	*	.	H	α-helix	trans	-60.5	-38.9	179.5	-65.5	-178.7	178.6	179.4	0	112.7	S702 T708	S702-K704 VanDerWaalsContact C-N 3.35Å; S702-K704 PolarHBondContact O-N 3.34Å; K704-T708 VanDerWaalsContact O-CG2 3.24Å; K704-T708 WeakPolarHBondContact O-CG2 3.29Å; K704-T708 PolarHBondContact O-N 3.32Å; K704-T708 VanDerWaalsContact O-N 3.13Å; K704-T708 PolarHBondContact O-OG1 3.07Å
705	K	79.8	Confident	77.2	Confident	59 Å²	59	59 Å²	59	26%	0.257	33%	0.326	S	S	.	.	H	α-helix	trans	-69.9	-43	178.6	-68.6	-174.6	175.3	-172.8	0	110.4	E696 W699 S702 T703 T708 I709	E696-K705 IonicContact OE2-NZ 3.15Å; W699-K705 HydrophobicContact CB-CB 4.09Å; W699-K705 HydrophobicContact CB-CD 4Å; S702-K705 PolarHBondContact O-N 2.95Å; T703-K705 VanDerWaalsContact C-N 3.33Å; T703-K705 PolarHBondContact O-N 2.97Å; K705-T708 PolarHBondContact O-N 3.4Å; K705-T708 PolarHBondContact O-OG1 2.95Å; K705-I709 WeakPolarHBondContact O-CG1 3.44Å; K705-I709 PolarHBondContact O-N 3.31Å
706	C	77.8	Confident	78.4	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.007	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-49.7	174.7	-73	0	0	0	0	112.4	S702 T703 T708 I709 I710 M761 M776	S702-C706 PolarHBondContact O-N 2.9Å; T703-C706 PolarHBondContact O-N 3.05Å; C706-T708 PolarHBondContact O-N 3.26Å; C706-I709 PolarHBondContact O-N 2.77Å; C706-I709 VanDerWaalsContact O-N 3.14Å; C706-I710 WeakPolarHBondContact O-CG1 3.41Å; C706-I710 PolarHBondContact O-N 3.45Å; C706-M761 HydrophobicContact CB-CE 4.35Å; C706-M776 HydrophobicContact CB-SD 4.45Å
707	E	81.4	Confident	79.7	Confident	108 Å²	108	46 Å²	46	51%	0.505	25%	0.252	S	S	.	.	H	α-helix	trans	-55.6	-49.4	176.5	-73.5	172.2	176.2	0	0	111.1	T703 I709 I710 D711	T703-E707 WeakPolarHBondContact O-CG 3.48Å; T703-E707 PolarHBondContact O-N 2.99Å; E707-I709 VanDerWaalsContact C-N 3.29Å; E707-I709 PolarHBondContact O-N 2.91Å; E707-I710 PolarHBondContact O-N 3.44Å; E707-I710 VanDerWaalsContact O-N 3.14Å; E707-D711 VanDerWaalsContact O-CG 3.3Å; E707-D711 PolarHBondContact O-N 3.29Å
708	T	82.3	Confident	80.5	Confident	61 Å²	61	48.6 Å²	48.6	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-63.1	-31.4	179.1	61.2	0	0	0	0	113.9	R691 K704 K705 C706 G712	R691-T708 VanDerWaalsContact CZ-O 3.3Å; R691-T708 PolarHBondContact NH1-O 3.17Å; K704-T708 VanDerWaalsContact O-CG2 3.24Å; K704-T708 WeakPolarHBondContact O-CG2 3.29Å; K704-T708 PolarHBondContact O-N 3.32Å; K704-T708 VanDerWaalsContact O-N 3.13Å; K704-T708 PolarHBondContact O-OG1 3.07Å; K705-T708 PolarHBondContact O-N 3.4Å; K705-T708 PolarHBondContact O-OG1 2.95Å; C706-T708 PolarHBondContact O-N 3.26Å; T708-G712 PolarHBondContact O-N 2.99Å; T708-G712 VanDerWaalsContact O-N 3.09Å
709	I	84.4	Confident	81	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-68.9	-46.4	174.9	-70.2	166.3	0	0	0	110.1	R691 W699 K705 C706 E707 D711 G712 L713 V757	R691-I709 HydrophobicContact CB-CD1 4.46Å; R691-I709 HydrophobicContact CB-CG1 3.92Å; W699-I709 HydrophobicContact CB-CD1 4.42Å; W699-I709 HydrophobicContact CD2-CD1 3.64Å; W699-I709 HydrophobicContact CE3-CD1 3.37Å; W699-I709 HydrophobicContact CG-CD1 4.11Å; W699-I709 HydrophobicContact CZ3-CD1 3.88Å; K705-I709 WeakPolarHBondContact O-CG1 3.44Å; K705-I709 PolarHBondContact O-N 3.31Å; C706-I709 PolarHBondContact O-N 2.77Å; C706-I709 VanDerWaalsContact O-N 3.14Å; E707-I709 VanDerWaalsContact C-N 3.29Å; E707-I709 PolarHBondContact O-N 2.91Å; I709-D711 VanDerWaalsContact C-N 3.35Å; I709-G712 PolarHBondContact O-N 3.34Å; I709-L713 HydrophobicContact CG2-CD1 4.2Å; I709-L713 PolarHBondContact O-N 2.94Å; I709-V757 HydrophobicContact CG2-CG1 4.35Å; I709-V757 HydrophobicContact CG2-CG2 4.35Å
710	I	83.6	Confident	81.3	Confident	7 Å²	7	45.5 Å²	45.5	4%	0.036	24%	0.236	C	C	.	.	H	α-helix	trans	-60.3	-46.4	177.6	-65.5	168.9	0	0	0	110.1	C706 E707 G712 L713 K714 L784 L787	C706-I710 WeakPolarHBondContact O-CG1 3.41Å; C706-I710 PolarHBondContact O-N 3.45Å; E707-I710 PolarHBondContact O-N 3.44Å; E707-I710 VanDerWaalsContact O-N 3.14Å; I710-G712 VanDerWaalsContact C-N 3.27Å; I710-G712 PolarHBondContact O-N 3Å; I710-L713 PolarHBondContact O-N 2.98Å; I710-L713 VanDerWaalsContact O-N 3.1Å; I710-K714 HydrophobicContact CG2-CD 4.01Å; I710-K714 VanDerWaalsContact CG2-CE 3.49Å; I710-K714 HydrophobicContact CG2-CG 4.37Å; I710-K714 WeakPolarHBondContact O-CG 2.82Å; I710-K714 PolarHBondContact O-N 3Å; I710-L784 HydrophobicContact CD1-CG 4.48Å; I710-L784 HydrophobicContact CG1-CD1 4.47Å; I710-L784 HydrophobicContact CG1-CD2 4.06Å; I710-L784 HydrophobicContact CG1-CG 4.13Å; I710-L787 HydrophobicContact CG2-CD1 4.26Å
711	D	84.2	Confident	81.8	Confident	92 Å²	92	45.9 Å²	45.9	49%	0.492	24%	0.24	S	C	.	.	H	α-helix	trans	-61	-36.7	177.6	-68.8	-20.9	0	0	0	112.1	E707 I709 K714 A715	E707-D711 VanDerWaalsContact O-CG 3.3Å; E707-D711 PolarHBondContact O-N 3.29Å; I709-D711 VanDerWaalsContact C-N 3.35Å; D711-K714 PolarHBondContact O-N 3.48Å; D711-A715 WeakPolarHBondContact O-CB 3.3Å; D711-A715 PolarHBondContact O-N 2.78Å
712	G	84.5	Confident	82	Confident	8 Å²	8	46.4 Å²	46.4	8%	0.082	25%	0.246	C	C	.	.	H	α-helix	trans	-65.4	-39.5	173.1	0	0	0	0	0	113.8	R691 T708 I709 I710 L716	R691-G712 VanDerWaalsContact NH1-CA 3.27Å; T708-G712 PolarHBondContact O-N 2.99Å; T708-G712 VanDerWaalsContact O-N 3.09Å; I709-G712 PolarHBondContact O-N 3.34Å; I710-G712 VanDerWaalsContact C-N 3.27Å; I710-G712 PolarHBondContact O-N 3Å; G712-L716 WeakPolarHBondContact O-CB 3.23Å; G712-L716 PolarHBondContact O-N 3.35Å
713	L	85.8	Confident	81.8	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.016	25%	0.25	C	S	.	.	H	α-helix	trans	-68.9	-40.1	176.3	-71.4	168	0	0	0	111.4	I709 I710 L716 L717 L750 I754 L784	I709-L713 HydrophobicContact CG2-CD1 4.2Å; I709-L713 PolarHBondContact O-N 2.94Å; I710-L713 PolarHBondContact O-N 2.98Å; I710-L713 VanDerWaalsContact O-N 3.1Å; L713-L716 PolarHBondContact O-N 2.95Å; L713-L717 WeakPolarHBondContact O-CB 3.41Å; L713-L717 PolarHBondContact O-N 2.76Å; L713-L750 HydrophobicContact CD2-CD1 3.48Å; L713-L750 VanDerWaalsContact CD2-CD1 3.48Å; L713-I754 HydrophobicContact CD1-CG1 4.18Å; L713-I754 HydrophobicContact CD2-CG1 4.12Å; L713-L784 HydrophobicContact CD1-CD2 3.68Å
714	K	85.5	Confident	81.5	Confident	64 Å²	64	45 Å²	45	28%	0.278	24%	0.237	S	C	.	.	H	α-helix	trans	-58.7	-50.8	172.3	-73.2	175.5	178.8	169.3	0	110.6	I710 D711 L716 L717 D718 D783 L787	I710-K714 HydrophobicContact CG2-CD 4.01Å; I710-K714 VanDerWaalsContact CG2-CE 3.49Å; I710-K714 HydrophobicContact CG2-CG 4.37Å; I710-K714 WeakPolarHBondContact O-CG 2.82Å; I710-K714 PolarHBondContact O-N 3Å; D711-K714 PolarHBondContact O-N 3.48Å; K714-L716 VanDerWaalsContact C-N 3.31Å; K714-L716 PolarHBondContact O-N 2.83Å; K714-L717 WeakPolarHBondContact O-CB 3.44Å; K714-L717 PolarHBondContact O-N 3.22Å; K714-L717 VanDerWaalsContact O-N 3.12Å; K714-D718 VanDerWaalsContact O-CG 3.32Å; K714-D718 PolarHBondContact O-N 2.76Å; K714-D783 IonicContact NZ-OD2 3.67Å; K714-D783 PolarHBondContact NZ-OD2 2.81Å; K714-D783 VanDerWaalsContact NZ-OD2 3.15Å; K714-L787 HydrophobicContact CD-CD1 4.49Å; K714-L787 HydrophobicContact CG-CD1 3.72Å; K714-L787 HydrophobicContact CG-CD2 3.8Å; K714-L787 HydrophobicContact CG-CG 4.37Å
715	A	84.5	Confident	80.9	Confident	34 Å²	34	46.8 Å²	46.8	28%	0.281	24%	0.244	S	C	.	.	H	α-helix	trans	-59.8	-38.4	177.8	0	0	0	0	0	113.3	D711 L719	D711-A715 WeakPolarHBondContact O-CB 3.3Å; D711-A715 PolarHBondContact O-N 2.78Å; A715-L719 PolarHBondContact O-N 3.41Å; A715-L719 VanDerWaalsContact O-N 3.08Å
716	L	86.4	Confident	79.8	Confident	4 Å²	4	46 Å²	46	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-67.6	-41.3	175	178.6	56.8	0	0	0	111.9	V681 L684 Q685 G712 L713 K714 L719 L720 L750	V681-L716 HydrophobicContact CG1-CD1 4.19Å; L684-L716 HydrophobicContact CB-CB 4.44Å; L684-L716 HydrophobicContact CB-CD1 3.96Å; L684-L716 HydrophobicContact CD1-CB 4.32Å; L684-L716 HydrophobicContact CD1-CD1 4.2Å; Q685-L716 HydrophobicContact CG-CD1 4.49Å; Q685-L716 HydrophobicContact CG-CD2 4.03Å; G712-L716 WeakPolarHBondContact O-CB 3.23Å; G712-L716 PolarHBondContact O-N 3.35Å; L713-L716 PolarHBondContact O-N 2.95Å; K714-L716 VanDerWaalsContact C-N 3.31Å; K714-L716 PolarHBondContact O-N 2.83Å; L716-L719 PolarHBondContact O-N 2.95Å; L716-L720 HydrophobicContact CD1-CD1 4.24Å; L716-L720 HydrophobicContact CD1-CG 4.37Å; L716-L720 HydrophobicContact CG-CD1 4.29Å; L716-L720 VanDerWaalsContact O-CG 3.31Å; L716-L720 WeakPolarHBondContact O-CG 3.47Å; L716-L720 PolarHBondContact O-N 2.72Å; L716-L750 HydrophobicContact CD2-CD1 3.88Å; L716-L750 HydrophobicContact CG-CD1 4.32Å
717	L	84	Confident	78.8	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-45	174.4	-177.9	58	0	0	0	111.3	L713 K714 L719 L720 N721 L747 L750 L787 D790 V791	L713-L717 WeakPolarHBondContact O-CB 3.41Å; L713-L717 PolarHBondContact O-N 2.76Å; K714-L717 WeakPolarHBondContact O-CB 3.44Å; K714-L717 PolarHBondContact O-N 3.22Å; K714-L717 VanDerWaalsContact O-N 3.12Å; L717-L719 VanDerWaalsContact C-N 3.31Å; L717-L719 PolarHBondContact O-N 3.48Å; L717-L720 CarbonylContact O-C 3.59Å; L717-L720 PolarHBondContact O-N 3.01Å; L717-N721 VanDerWaalsContact O-CB 3.3Å; L717-N721 WeakPolarHBondContact O-CB 3.38Å; L717-N721 PolarHBondContact O-N 3.35Å; L717-N721 PolarHBondContact O-ND2 2.96Å; L717-N721 PolarHBondContact O-OD1 3.46Å; L717-L747 HydrophobicContact CD1-CD2 4.2Å; L717-L750 HydrophobicContact CB-CD2 4.1Å; L717-L750 HydrophobicContact CD1-CD2 4.05Å; L717-L787 HydrophobicContact CD2-CD2 3.71Å; L717-D790 HydrophobicContact CD2-CB 4.4Å; L717-V791 HydrophobicContact CD1-CG2 3.59Å; L717-V791 HydrophobicContact CD2-CG2 4.27Å; L717-V791 HydrophobicContact CG-CG2 4.49Å
718	D	84	Confident	77.2	Confident	91 Å²	91	53.2 Å²	53.2	49%	0.487	28%	0.279	S	S	.	.	H	α-helix	trans	-61	-39.3	178.8	-71.3	-24.6	0	0	0	112.3	K714 N721 N722	K714-D718 VanDerWaalsContact O-CG 3.32Å; K714-D718 PolarHBondContact O-N 2.76Å; D718-N721 PolarHBondContact O-N 2.92Å; D718-N722 PolarHBondContact O-N 3.28Å; D718-N722 PolarHBondContact O-ND2 3.34Å
719	L	83.1	Confident	75.6	Confident	10 Å²	10	56.7 Å²	56.7	5%	0.052	30%	0.295	C	S	.	.	H	α-helix	trans	-67.7	-39.8	174.9	-176.7	61.9	0	0	0	112.5	V666 L669 Y677 A680 V681 L684 A715 L716 L717 N721	V666-L719 HydrophobicContact CG1-CD1 4.27Å; V666-L719 HydrophobicContact CG2-CD1 3.66Å; V666-L719 HydrophobicContact CG2-CD2 3.95Å; V666-L719 HydrophobicContact CG2-CG 4.41Å; L669-L719 HydrophobicContact CD1-CD1 4.14Å; Y677-L719 HydrophobicContact CD2-CD1 4.34Å; Y677-L719 HydrophobicContact CE2-CD1 3.91Å; Y677-L719 HydrophobicContact CE2-CG 4Å; Y677-L719 PolarHBondContact OH-O 3.37Å; A680-L719 HydrophobicContact CB-CD2 3.94Å; V681-L719 HydrophobicContact CG2-CD2 3.8Å; V681-L719 HydrophobicContact CG2-CG 4.27Å; L684-L719 HydrophobicContact CD1-CB 4.28Å; L684-L719 HydrophobicContact CD1-CD2 3.67Å; A715-L719 PolarHBondContact O-N 3.41Å; A715-L719 VanDerWaalsContact O-N 3.08Å; L716-L719 PolarHBondContact O-N 2.95Å; L717-L719 VanDerWaalsContact C-N 3.31Å; L717-L719 PolarHBondContact O-N 3.48Å; L719-N721 PolarHBondContact O-N 2.94Å
720	L	83.1	Confident	74.1	Confident	6 Å²	6	64.8 Å²	64.8	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-69.5	-25.5	174.9	-68.1	173.6	0	0	0	112.1	Y677 V681 L716 L717 A746 L747 L750	Y677-L720 WeakPolarHBondContact OH-CA 3.45Å; V681-L720 HydrophobicContact CG1-CD2 4.22Å; V681-L720 HydrophobicContact CG2-CD2 3.98Å; L716-L720 HydrophobicContact CD1-CD1 4.24Å; L716-L720 HydrophobicContact CD1-CG 4.37Å; L716-L720 HydrophobicContact CG-CD1 4.29Å; L716-L720 VanDerWaalsContact O-CG 3.31Å; L716-L720 WeakPolarHBondContact O-CG 3.47Å; L716-L720 PolarHBondContact O-N 2.72Å; L717-L720 CarbonylContact O-C 3.59Å; L717-L720 PolarHBondContact O-N 3.01Å; L720-A746 HydrophobicContact CD1-CB 4.11Å; L720-A746 HydrophobicContact CD2-CB 3.64Å; L720-L747 HydrophobicContact CB-CD2 4.03Å; L720-L747 HydrophobicContact CB-CG 4.5Å; L720-L747 HydrophobicContact CD1-CD2 3.79Å; L720-L747 HydrophobicContact CD1-CG 4.15Å; L720-L750 HydrophobicContact CD1-CD2 4.09Å
721	N	80.9	Confident	72.6	Confident	43 Å²	43	70.3 Å²	70.3	23%	0.23	37%	0.368	C	S	.	.	H	α-helix	trans	-77.3	-28.4	179.1	-72.5	-15.5	0	0	0	113.7	L717 D718 L719 P723 K794	L717-N721 VanDerWaalsContact O-CB 3.3Å; L717-N721 WeakPolarHBondContact O-CB 3.38Å; L717-N721 PolarHBondContact O-N 3.35Å; L717-N721 PolarHBondContact O-ND2 2.96Å; L717-N721 PolarHBondContact O-OD1 3.46Å; D718-N721 PolarHBondContact O-N 2.92Å; L719-N721 PolarHBondContact O-N 2.94Å; N721-P723 VanDerWaalsContact C-CD 3.45Å; N721-P723 VanDerWaalsContact O-CD 3.29Å; N721-P723 WeakPolarHBondContact O-CD 3.49Å; N721-K794 VanDerWaalsContact CA-NZ 3.31Å; N721-K794 VanDerWaalsContact CB-NZ 3.27Å; N721-K794 WeakPolarHBondContact OD1-CD 3.49Å; N721-K794 WeakPolarHBondContact OD1-CE 3.32Å; N721-K794 PolarHBondContact OD1-NZ 3.46Å
722	N	76.2	Confident	71.1	Confident	114 Å²	114	71.6 Å²	71.6	61%	0.61	37%	0.371	S	S	*	.	S	Bend	trans	-118.4	74	-176.6	-64.5	-45.7	0	0	0	110.6	D718	D718-N722 PolarHBondContact O-N 3.28Å; D718-N722 PolarHBondContact O-ND2 3.34Å
723	P	71.8	Confident	69.9	Low	60 Å²	60	75.2 Å²	75.2	39%	0.39	40%	0.396	S	S	.	.			trans	-65.8	152.8	176.6	28.5	-34.6	0	0	0	111.8	N721 L739 I743	N721-P723 VanDerWaalsContact C-CD 3.45Å; N721-P723 VanDerWaalsContact O-CD 3.29Å; N721-P723 WeakPolarHBondContact O-CD 3.49Å; P723-L739 HydrophobicContact CB-CD2 4.41Å; P723-I743 HydrophobicContact CB-CD1 3.83Å; P723-I743 HydrophobicContact CG-CD1 4.33Å
724	P	69.5	Low	69.1	Low	16 Å²	16	80.4 Å²	80.4	10%	0.104	42%	0.423	C	S	.	.			trans	-64.7	152.1	178.1	27	-35.2	0	0	0	112.5	L669 T672 Y677	L669-P724 HydrophobicContact CD2-CB 3.83Å; L669-P724 HydrophobicContact CD2-CG 4.32Å; T672-P724 WeakPolarHBondContact OG1-CB 3.2Å; Y677-P724 VanDerWaalsContact CD2-CD 3.43Å; Y677-P724 HydrophobicContact CD2-CG 4.07Å; Y677-P724 HydrophobicContact CG-CG 4.02Å
725	K	66.3	Low	68.2	Low	193 Å²	193	81.2 Å²	81.2	84%	0.839	43%	0.428	S	S	*	.			trans	-80.7	114.9	167.1	-65	-176.3	-179.5	-177.9	0	108.5
726	L	56.5	Low	67.7	Low	43 Å²	43	84.8 Å²	84.8	23%	0.225	44%	0.439	C	S	.	.			trans	-62.2	136.9	175.1	-68	160.8	0	0	0	109.4	E735 E736 L739	L726-E735 HydrophobicContact CD1-CB 4.34Å; L726-E736 HydrophobicContact CD1-CG 3.7Å; L726-L739 HydrophobicContact CD1-CD2 4.36Å
727	K	56.9	Low	67.4	Low	123 Å²	123	89.6 Å²	89.6	54%	0.535	46%	0.464	S	S	.	.			trans	-75.8	136	174.8	-78.4	-179.1	176	172.3	0	109.2	D729	K727-D729 PolarHBondContact O-N 3.18Å
728	N	48.8	Very low	67.2	Low	137 Å²	137	94 Å²	94	73%	0.733	49%	0.485	S	S	*	.			trans	-61.4	89.5	179.8	-59.8	12.9	0	0	0	112
729	D	47.1	Very low	67	Low	135 Å²	135	90.2 Å²	90.2	72%	0.722	47%	0.465	S	S	*	.			trans	-122.7	149	156.9	-80.5	-33	0	0	0	107.8	K727 N731	K727-D729 PolarHBondContact O-N 3.18Å; D729-N731 PolarHBondContact O-N 3.43Å
730	D	53.2	Low	66.9	Low	173 Å²	173	94 Å²	94	93%	0.925	49%	0.485	S	S	*	.	S	Bend	trans	-57.2	11.4	-160	-66.4	-41.2	0	0	0	118.5
731	N	52.5	Low	67	Low	123 Å²	123	97.7 Å²	97.7	66%	0.658	51%	0.508	S	S	*	.			trans	-110.4	33.5	180	-76.3	-24.1	0	0	0	114.3	D729 S733	D729-N731 PolarHBondContact O-N 3.43Å; N731-S733 PolarHBondContact O-N 3.08Å
732	E	52.9	Low	67.2	Low	119 Å²	119	97.5 Å²	97.5	56%	0.556	51%	0.505	S	S	*	.	H	α-helix	trans	-53.4	-44	-169.7	-67.3	-177.2	159.3	0	0	115.9	E736	E732-E736 PolarHBondContact O-N 3.25Å
733	S	59.5	Low	67.6	Low	84 Å²	84	93 Å²	93	59%	0.587	48%	0.481	S	S	*	.	H	α-helix	trans	-72.7	-38.2	-166.2	62.5	0	0	0	0	114.7	N731 D737	N731-S733 PolarHBondContact O-N 3.08Å; S733-D737 PolarHBondContact O-N 3.11Å
734	N	67.9	Low	68.3	Low	112 Å²	112	95.6 Å²	95.6	60%	0.599	49%	0.488	S	S	*	.	H	α-helix	trans	-75.5	-32	-177.6	-79.6	-18.5	0	0	0	112.5	Q738	N734-Q738 WeakPolarHBondContact O-CB 3.47Å; N734-Q738 WeakPolarHBondContact O-CG 3.48Å; N734-Q738 PolarHBondContact O-N 3.32Å
735	E	67.7	Low	69.1	Low	81 Å²	81	97.7 Å²	97.7	38%	0.379	50%	0.503	S	S	.	.	H	α-helix	trans	-75.6	-37.9	-178.4	-67.1	-167.5	174.5	0	0	112.2	L726 Q738 L739	L726-E735 HydrophobicContact CD1-CB 4.34Å; E735-Q738 PolarHBondContact O-N 3.4Å; E735-L739 WeakPolarHBondContact O-CB 3.31Å; E735-L739 PolarHBondContact O-N 3.18Å
736	E	73.6	Confident	70.1	Confident	109 Å²	109	88.6 Å²	88.6	51%	0.509	46%	0.463	S	S	.	.	H	α-helix	trans	-64	-44.1	174.6	-76.4	-169.7	164	0	0	112.4	L726 E732 Q738 L739 N740	L726-E736 HydrophobicContact CD1-CG 3.7Å; E732-E736 PolarHBondContact O-N 3.25Å; E736-Q738 VanDerWaalsContact C-N 3.33Å; E736-Q738 PolarHBondContact O-N 3.28Å; E736-L739 PolarHBondContact O-N 3.3Å; E736-N740 WeakPolarHBondContact O-CB 3.46Å; E736-N740 PolarHBondContact O-N 3.29Å; E736-N740 PolarHBondContact O-ND2 2.95Å
737	D	79.1	Confident	71.6	Confident	104 Å²	104	86.9 Å²	86.9	56%	0.556	45%	0.454	S	S	*	.	H	α-helix	trans	-62.4	-41	176.7	-79.7	-18	0	0	0	111.6	S733 T741	S733-D737 PolarHBondContact O-N 3.11Å; D737-T741 WeakPolarHBondContact O-CB 3.46Å; D737-T741 WeakPolarHBondContact O-CG2 3.37Å; D737-T741 PolarHBondContact O-N 2.85Å; D737-T741 PolarHBondContact O-OG1 3.43Å
738	Q	80.5	Confident	73	Confident	97 Å²	97	82.8 Å²	82.8	45%	0.453	44%	0.444	S	S	.	.	H	α-helix	trans	-63.2	-42.1	174.2	-75.5	176.9	26.4	0	0	112	Y674 N734 E735 E736 T741 F742	Y674-Q738 HydrophobicContact CE1-CB 4.13Å; Y674-Q738 PolarHBondContact OH-O 2.81Å; N734-Q738 WeakPolarHBondContact O-CB 3.47Å; N734-Q738 WeakPolarHBondContact O-CG 3.48Å; N734-Q738 PolarHBondContact O-N 3.32Å; E735-Q738 PolarHBondContact O-N 3.4Å; E736-Q738 VanDerWaalsContact C-N 3.33Å; E736-Q738 PolarHBondContact O-N 3.28Å; Q738-T741 WeakPolarHBondContact CA-OG1 3.3Å; Q738-T741 PolarHBondContact O-OG1 3.47Å; Q738-F742 WeakPolarHBondContact O-CB 3.32Å; Q738-F742 PolarHBondContact O-N 3.41Å
739	L	80.1	Confident	74.9	Confident	12 Å²	12	79.8 Å²	79.8	6%	0.063	43%	0.43	C	S	.	.	H	α-helix	trans	-63.6	-47.6	177.4	177.1	63.2	0	0	0	111.9	Y674 Y677 P723 L726 E735 E736 T741 F742 I743	Y674-L739 HydrophobicContact CD2-CB 4.13Å; Y674-L739 HydrophobicContact CD2-CD1 3.8Å; Y674-L739 HydrophobicContact CE2-CB 3.91Å; Y674-L739 HydrophobicContact CE2-CD1 3.77Å; Y674-L739 HydrophobicContact CE2-CG 4.46Å; Y677-L739 HydrophobicContact CD1-CD1 3.74Å; Y677-L739 HydrophobicContact CE1-CD1 3.83Å; P723-L739 HydrophobicContact CB-CD2 4.41Å; L726-L739 HydrophobicContact CD1-CD2 4.36Å; E735-L739 WeakPolarHBondContact O-CB 3.31Å; E735-L739 PolarHBondContact O-N 3.18Å; E736-L739 PolarHBondContact O-N 3.3Å; L739-T741 PolarHBondContact O-N 3.46Å; L739-F742 PolarHBondContact O-N 2.83Å; L739-I743 HydrophobicContact CD1-CD1 3.89Å; L739-I743 HydrophobicContact CD1-CG1 4.24Å; L739-I743 HydrophobicContact CG-CD1 3.86Å; L739-I743 VanDerWaalsContact O-CG1 3.29Å; L739-I743 WeakPolarHBondContact O-CG1 3.31Å; L739-I743 PolarHBondContact O-N 2.89Å
740	N	81.8	Confident	76.8	Confident	89 Å²	89	73.4 Å²	73.4	48%	0.476	40%	0.397	S	S	.	.	H	α-helix	trans	-63	-43.5	179.5	-74.6	-34.6	0	0	0	112	E736 F742 I743 Q744	E736-N740 WeakPolarHBondContact O-CB 3.46Å; E736-N740 PolarHBondContact O-N 3.29Å; E736-N740 PolarHBondContact O-ND2 2.95Å; N740-F742 VanDerWaalsContact C-N 3.35Å; N740-F742 PolarHBondContact O-N 3.44Å; N740-I743 PolarHBondContact O-N 2.98Å; N740-Q744 WeakPolarHBondContact O-CG 3.39Å; N740-Q744 PolarHBondContact O-N 3.32Å
741	T	84.3	Confident	78.4	Confident	84 Å²	84	69.6 Å²	69.6	52%	0.515	37%	0.369	S	S	.	.	H	α-helix	trans	-63.1	-40.2	175.9	48.3	0	0	0	0	112	D737 Q738 L739 S745	D737-T741 WeakPolarHBondContact O-CB 3.46Å; D737-T741 WeakPolarHBondContact O-CG2 3.37Å; D737-T741 PolarHBondContact O-N 2.85Å; D737-T741 PolarHBondContact O-OG1 3.43Å; Q738-T741 WeakPolarHBondContact CA-OG1 3.3Å; Q738-T741 PolarHBondContact O-OG1 3.47Å; L739-T741 PolarHBondContact O-N 3.46Å; T741-S745 PolarHBondContact O-N 2.9Å
742	F	85.8	Confident	80.1	Confident	40 Å²	40	69.5 Å²	69.5	18%	0.175	37%	0.367	C	S	.	.	H	α-helix	trans	-62.5	-47.7	173.7	177.3	-101.1	0	0	0	112.1	Y674 Y677 Q678 V681 Q738 L739 N740 Q744 S745 A746	Y674-F742 HydrophobicContact CE2-CB 4.49Å; Y677-F742 HydrophobicContact CD1-CD1 4.41Å; Y677-F742 HydrophobicContact CD1-CE1 4.27Å; Y677-F742 HydrophobicContact CE1-CD1 4.22Å; Y677-F742 HydrophobicContact CE1-CE1 4.17Å; Q678-F742 HydrophobicContact CB-CE1 4.28Å; Q678-F742 HydrophobicContact CB-CE2 4.34Å; Q678-F742 HydrophobicContact CB-CZ 3.97Å; Q678-F742 HydrophobicContact CG-CD1 4.05Å; Q678-F742 HydrophobicContact CG-CD2 4.16Å; Q678-F742 HydrophobicContact CG-CE1 3.89Å; Q678-F742 HydrophobicContact CG-CE2 4Å; Q678-F742 HydrophobicContact CG-CG 4.19Å; Q678-F742 HydrophobicContact CG-CZ 3.87Å; V681-F742 HydrophobicContact CB-CE1 4.02Å; V681-F742 HydrophobicContact CB-CZ 4Å; V681-F742 HydrophobicContact CG1-CE1 4.08Å; V681-F742 HydrophobicContact CG1-CZ 3.92Å; V681-F742 HydrophobicContact CG2-CE1 4.07Å; Q738-F742 WeakPolarHBondContact O-CB 3.32Å; Q738-F742 PolarHBondContact O-N 3.41Å; L739-F742 PolarHBondContact O-N 2.83Å; N740-F742 VanDerWaalsContact C-N 3.35Å; N740-F742 PolarHBondContact O-N 3.44Å; F742-Q744 PolarHBondContact O-N 2.85Å; F742-S745 PolarHBondContact O-N 3.4Å; F742-S745 PolarHBondContact O-OG 2.9Å; F742-A746 WeakPolarHBondContact O-CB 3.29Å; F742-A746 PolarHBondContact O-N 3.16Å
743	I	84.8	Confident	81.6	Confident	19 Å²	19	64.9 Å²	64.9	10%	0.097	35%	0.348	C	S	.	.	H	α-helix	trans	-60	-45.4	178.7	-67.9	165.3	0	0	0	111	Y677 P723 L739 N740 S745 A746 L747	Y677-I743 HydrophobicContact CE1-CD1 4.48Å; Y677-I743 HydrophobicContact CE1-CG1 4.07Å; P723-I743 HydrophobicContact CB-CD1 3.83Å; P723-I743 HydrophobicContact CG-CD1 4.33Å; L739-I743 HydrophobicContact CD1-CD1 3.89Å; L739-I743 HydrophobicContact CD1-CG1 4.24Å; L739-I743 HydrophobicContact CG-CD1 3.86Å; L739-I743 VanDerWaalsContact O-CG1 3.29Å; L739-I743 WeakPolarHBondContact O-CG1 3.31Å; L739-I743 PolarHBondContact O-N 2.89Å; N740-I743 PolarHBondContact O-N 2.98Å; I743-S745 VanDerWaalsContact C-N 3.32Å; I743-S745 PolarHBondContact O-N 3.41Å; I743-A746 PolarHBondContact O-N 2.89Å; I743-L747 HydrophobicContact CG2-CD1 3.91Å; I743-L747 HydrophobicContact CG2-CG 4.28Å; I743-L747 WeakPolarHBondContact O-CB 3.49Å; I743-L747 WeakPolarHBondContact O-CG 3.43Å; I743-L747 PolarHBondContact O-N 3.47Å
744	Q	85.4	Confident	82.9	Confident	114 Å²	114	61 Å²	61	53%	0.533	32%	0.321	S	S	.	.	H	α-helix	trans	-58.8	-43.9	175.8	-75.4	-177	-9.5	0	0	111.7	N740 F742 A746 L747 A748	N740-Q744 WeakPolarHBondContact O-CG 3.39Å; N740-Q744 PolarHBondContact O-N 3.32Å; F742-Q744 PolarHBondContact O-N 2.85Å; Q744-A746 PolarHBondContact O-N 2.62Å; Q744-L747 PolarHBondContact O-N 3.28Å; Q744-A748 WeakPolarHBondContact O-CB 3.38Å; Q744-A748 PolarHBondContact O-N 2.92Å
745	S	87.6	Confident	83.8	Confident	60 Å²	60	60 Å²	60	42%	0.42	31%	0.311	S	S	.	.	H	α-helix	trans	-64.7	-38.4	177.4	79.8	0	0	0	0	112.7	T741 F742 I743 A748 T749	T741-S745 PolarHBondContact O-N 2.9Å; F742-S745 PolarHBondContact O-N 3.4Å; F742-S745 PolarHBondContact O-OG 2.9Å; I743-S745 VanDerWaalsContact C-N 3.32Å; I743-S745 PolarHBondContact O-N 3.41Å; S745-A748 PolarHBondContact O-N 3.22Å; S745-T749 PolarHBondContact O-N 3.42Å; S745-T749 PolarHBondContact O-OG1 2.68Å
746	A	87.3	Confident	84.7	Confident	2 Å²	2	58.5 Å²	58.5	2%	0.017	31%	0.309	C	S	.	.	H	α-helix	trans	-70.9	-41.1	178.5	0	0	0	0	0	111.7	V681 L720 F742 I743 Q744 T749 L750	V681-A746 HydrophobicContact CG1-CB 4.06Å; L720-A746 HydrophobicContact CD1-CB 4.11Å; L720-A746 HydrophobicContact CD2-CB 3.64Å; F742-A746 WeakPolarHBondContact O-CB 3.29Å; F742-A746 PolarHBondContact O-N 3.16Å; I743-A746 PolarHBondContact O-N 2.89Å; Q744-A746 PolarHBondContact O-N 2.62Å; A746-T749 WeakPolarHBondContact O-CB 3.46Å; A746-T749 PolarHBondContact O-N 2.93Å; A746-L750 WeakPolarHBondContact O-CB 3.19Å; A746-L750 PolarHBondContact O-N 3.32Å
747	L	86.8	Confident	85.2	Confident	7 Å²	7	53.3 Å²	53.3	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-63	-40.5	173	-74.5	172.5	0	0	0	111.7	L717 L720 I743 Q744 T749 L750 R751 V791 K794 L795	L717-L747 HydrophobicContact CD1-CD2 4.2Å; L720-L747 HydrophobicContact CB-CD2 4.03Å; L720-L747 HydrophobicContact CB-CG 4.5Å; L720-L747 HydrophobicContact CD1-CD2 3.79Å; L720-L747 HydrophobicContact CD1-CG 4.15Å; I743-L747 HydrophobicContact CG2-CD1 3.91Å; I743-L747 HydrophobicContact CG2-CG 4.28Å; I743-L747 WeakPolarHBondContact O-CB 3.49Å; I743-L747 WeakPolarHBondContact O-CG 3.43Å; I743-L747 PolarHBondContact O-N 3.47Å; Q744-L747 PolarHBondContact O-N 3.28Å; L747-T749 VanDerWaalsContact C-N 3.32Å; L747-T749 PolarHBondContact O-N 2.85Å; L747-L750 HydrophobicContact CD2-CD2 4.47Å; L747-L750 PolarHBondContact O-N 3.34Å; L747-R751 WeakPolarHBondContact O-CB 3.48Å; L747-R751 PolarHBondContact O-N 2.91Å; L747-V791 HydrophobicContact CD2-CG1 4.46Å; L747-K794 HydrophobicContact CD1-CB 4.19Å; L747-L795 HydrophobicContact CB-CD1 4.02Å; L747-L795 HydrophobicContact CB-CD2 4.38Å; L747-L795 HydrophobicContact CB-CG 3.92Å
748	A	87.3	Confident	85.5	Confident	38 Å²	38	48.9 Å²	48.9	31%	0.314	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-41.1	174.4	0	0	0	0	0	111.7	Q744 S745 R751 I752 L795	Q744-A748 WeakPolarHBondContact O-CB 3.38Å; Q744-A748 PolarHBondContact O-N 2.92Å; S745-A748 PolarHBondContact O-N 3.22Å; A748-R751 WeakPolarHBondContact O-CB 3.37Å; A748-R751 PolarHBondContact O-N 3.47Å; A748-I752 WeakPolarHBondContact O-CG1 3.49Å; A748-I752 PolarHBondContact O-N 3.29Å; A748-L795 HydrophobicContact CB-CD2 4.41Å
749	T	88	Confident	85.7	Confident	73 Å²	73	47 Å²	47	45%	0.448	26%	0.259	S	S	.	.	H	α-helix	trans	-64.8	-41.8	175.5	-52.9	0	0	0	0	111.4	S745 A746 L747 I752 S753	S745-T749 PolarHBondContact O-N 3.42Å; S745-T749 PolarHBondContact O-OG1 2.68Å; A746-T749 WeakPolarHBondContact O-CB 3.46Å; A746-T749 PolarHBondContact O-N 2.93Å; L747-T749 VanDerWaalsContact C-N 3.32Å; L747-T749 PolarHBondContact O-N 2.85Å; T749-I752 PolarHBondContact O-N 2.95Å; T749-S753 PolarHBondContact O-N 3.5Å
750	L	86.5	Confident	85.8	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-41.3	175.1	177.8	60.9	0	0	0	112	L713 L716 L717 L720 A746 L747 I752 S753 I754 V791	L713-L750 HydrophobicContact CD2-CD1 3.48Å; L713-L750 VanDerWaalsContact CD2-CD1 3.48Å; L716-L750 HydrophobicContact CD2-CD1 3.88Å; L716-L750 HydrophobicContact CG-CD1 4.32Å; L717-L750 HydrophobicContact CB-CD2 4.1Å; L717-L750 HydrophobicContact CD1-CD2 4.05Å; L720-L750 HydrophobicContact CD1-CD2 4.09Å; A746-L750 WeakPolarHBondContact O-CB 3.19Å; A746-L750 PolarHBondContact O-N 3.32Å; L747-L750 HydrophobicContact CD2-CD2 4.47Å; L747-L750 PolarHBondContact O-N 3.34Å; L750-I752 VanDerWaalsContact C-N 3.29Å; L750-I752 PolarHBondContact O-N 3.13Å; L750-S753 WeakPolarHBondContact CA-OG 3.44Å; L750-S753 PolarHBondContact O-N 2.65Å; L750-S753 PolarHBondContact O-OG 2.74Å; L750-I754 HydrophobicContact CD1-CD1 3.93Å; L750-I754 HydrophobicContact CD1-CG1 4.08Å; L750-I754 HydrophobicContact CG-CD1 3.83Å; L750-I754 HydrophobicContact CG-CG1 4.41Å; L750-I754 VanDerWaalsContact O-CG1 3.3Å; L750-I754 WeakPolarHBondContact O-CG1 3.44Å; L750-I754 PolarHBondContact O-N 3.49Å; L750-V791 HydrophobicContact CD2-CG2 3.72Å; L750-V791 HydrophobicContact CG-CG2 4.14Å
751	R	87.1	Confident	85.7	Confident	93 Å²	93	45.5 Å²	45.5	35%	0.351	25%	0.248	S	C	.	.	H	α-helix	trans	-58.3	-42.9	174.9	-172.9	-172.7	-179.8	-164.6	3.2	111.5	L747 A748 K755 L788 V791 E792 L795	L747-R751 WeakPolarHBondContact O-CB 3.48Å; L747-R751 PolarHBondContact O-N 2.91Å; A748-R751 WeakPolarHBondContact O-CB 3.37Å; A748-R751 PolarHBondContact O-N 3.47Å; R751-K755 WeakPolarHBondContact O-CG 3.08Å; R751-K755 PolarHBondContact O-N 3.04Å; R751-K755 VanDerWaalsContact O-N 3.12Å; R751-L788 HydrophobicContact CG-CD1 3.74Å; R751-V791 HydrophobicContact CB-CG1 3.94Å; R751-E792 IonicContact CZ-OE1 2.66Å; R751-E792 IonicContact NE-OE1 3.42Å; R751-E792 PolarHBondContact NE-OE1 3.31Å; R751-E792 IonicContact NH2-OE1 2.72Å; R751-E792 PolarHBondContact NH2-OE1 3.28Å; R751-L795 HydrophobicContact CB-CD1 4.41Å
752	I	87.4	Confident	85.6	Confident	121 Å²	121	46.3 Å²	46.3	62%	0.621	24%	0.244	S	C	*	.	H	α-helix	trans	-67.1	-42.8	178.4	-65.5	165.8	0	0	0	110.5	A748 T749 L750 K755 S756	A748-I752 WeakPolarHBondContact O-CG1 3.49Å; A748-I752 PolarHBondContact O-N 3.29Å; T749-I752 PolarHBondContact O-N 2.95Å; L750-I752 VanDerWaalsContact C-N 3.29Å; L750-I752 PolarHBondContact O-N 3.13Å; I752-K755 PolarHBondContact O-N 3.42Å; I752-S756 WeakPolarHBondContact O-CB 3.1Å; I752-S756 PolarHBondContact O-N 3.28Å
753	S	85.8	Confident	85.4	Confident	22 Å²	22	49.4 Å²	49.4	15%	0.154	26%	0.262	C	S	.	.	H	α-helix	trans	-65.1	-43.6	179.1	66.3	0	0	0	0	112.2	T749 L750 K755 S756 V757	T749-S753 PolarHBondContact O-N 3.5Å; L750-S753 WeakPolarHBondContact CA-OG 3.44Å; L750-S753 PolarHBondContact O-N 2.65Å; L750-S753 PolarHBondContact O-OG 2.74Å; S753-K755 PolarHBondContact O-N 3.24Å; S753-S756 WeakPolarHBondContact O-CB 3.46Å; S753-S756 PolarHBondContact O-N 2.61Å; S753-V757 WeakPolarHBondContact O-CG2 3.25Å; S753-V757 PolarHBondContact O-N 3.22Å
754	I	85.6	Confident	85	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-59.7	-47.5	175.6	-67.6	167	0	0	0	110.7	L713 L750 S756 V757 I758 L784 L787 L788 V791	L713-I754 HydrophobicContact CD1-CG1 4.18Å; L713-I754 HydrophobicContact CD2-CG1 4.12Å; L750-I754 HydrophobicContact CD1-CD1 3.93Å; L750-I754 HydrophobicContact CD1-CG1 4.08Å; L750-I754 HydrophobicContact CG-CD1 3.83Å; L750-I754 HydrophobicContact CG-CG1 4.41Å; L750-I754 VanDerWaalsContact O-CG1 3.3Å; L750-I754 WeakPolarHBondContact O-CG1 3.44Å; L750-I754 PolarHBondContact O-N 3.49Å; I754-S756 VanDerWaalsContact C-N 3.29Å; I754-S756 PolarHBondContact O-N 3.22Å; I754-V757 PolarHBondContact O-N 3.36Å; I754-I758 HydrophobicContact CG2-CD1 3.71Å; I754-I758 HydrophobicContact CG2-CG1 4.33Å; I754-I758 VanDerWaalsContact O-CG1 3.32Å; I754-I758 WeakPolarHBondContact O-CG1 3.41Å; I754-I758 PolarHBondContact O-N 3.14Å; I754-L784 HydrophobicContact CG2-CB 4.46Å; I754-L784 HydrophobicContact CG2-CD2 4.44Å; I754-L787 HydrophobicContact CD1-CB 4.44Å; I754-L788 HydrophobicContact CB-CD1 4.36Å; I754-L788 HydrophobicContact CG2-CB 3.98Å; I754-L788 HydrophobicContact CG2-CD1 4.1Å; I754-V791 HydrophobicContact CD1-CG2 3.99Å
755	K	87.6	Confident	84.5	Confident	91 Å²	91	45.8 Å²	45.8	40%	0.396	25%	0.245	S	C	.	.	H	α-helix	trans	-59.8	-39	177.2	-75.3	-179.4	179.2	-175.3	0	112.7	R751 I752 S753 I758 S759 L788 E792	R751-K755 WeakPolarHBondContact O-CG 3.08Å; R751-K755 PolarHBondContact O-N 3.04Å; R751-K755 VanDerWaalsContact O-N 3.12Å; I752-K755 PolarHBondContact O-N 3.42Å; S753-K755 PolarHBondContact O-N 3.24Å; K755-I758 PolarHBondContact O-N 3.14Å; K755-S759 PolarHBondContact O-N 3.43Å; K755-S759 PolarHBondContact O-OG 2.74Å; K755-L788 HydrophobicContact CG-CD1 4.15Å; K755-L788 HydrophobicContact CG-CD2 4.13Å; K755-E792 IonicContact NZ-OE1 3.7Å
756	S	86	Confident	84	Confident	49 Å²	49	51.1 Å²	51.1	34%	0.343	26%	0.263	S	S	.	.	H	α-helix	trans	-66.8	-38.9	176.8	-177.5	0	0	0	0	112.6	I752 S753 I754 S759 K760	I752-S756 WeakPolarHBondContact O-CB 3.1Å; I752-S756 PolarHBondContact O-N 3.28Å; S753-S756 WeakPolarHBondContact O-CB 3.46Å; S753-S756 PolarHBondContact O-N 2.61Å; I754-S756 VanDerWaalsContact C-N 3.29Å; I754-S756 PolarHBondContact O-N 3.22Å; S756-S759 PolarHBondContact O-OG 2.52Å; S756-K760 WeakPolarHBondContact O-CB 3.46Å; S756-K760 WeakPolarHBondContact O-CG 3.47Å; S756-K760 PolarHBondContact O-N 3.22Å
757	V	84.7	Confident	83.2	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-67.5	-45.4	174.5	174	0	0	0	0	110.5	I692 W699 I709 S753 I754 S759 K760 M761 L784	I692-V757 HydrophobicContact CD1-CG2 3.73Å; W699-V757 HydrophobicContact CH2-CB 4.45Å; W699-V757 HydrophobicContact CH2-CG1 3.91Å; W699-V757 HydrophobicContact CH2-CG2 4.42Å; W699-V757 HydrophobicContact CZ3-CG1 4.17Å; I709-V757 HydrophobicContact CG2-CG1 4.35Å; I709-V757 HydrophobicContact CG2-CG2 4.35Å; S753-V757 WeakPolarHBondContact O-CG2 3.25Å; S753-V757 PolarHBondContact O-N 3.22Å; I754-V757 PolarHBondContact O-N 3.36Å; V757-S759 PolarHBondContact O-N 3.38Å; V757-K760 PolarHBondContact O-N 3.45Å; V757-M761 HydrophobicContact CG1-CG 4.36Å; V757-M761 HydrophobicContact CG1-SD 4.1Å; V757-M761 WeakPolarHBondContact O-CG 3.42Å; V757-M761 PolarHBondContact O-N 3.11Å; V757-L784 HydrophobicContact CB-CD1 4.49Å; V757-L784 HydrophobicContact CG1-CD1 3.64Å
758	I	85.1	Confident	82.2	Confident	11 Å²	11	55.5 Å²	55.5	6%	0.056	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-44.6	177.6	-68.5	167.8	0	0	0	111.3	I754 K755 M761 K762 V781 L784 L788	I754-I758 HydrophobicContact CG2-CD1 3.71Å; I754-I758 HydrophobicContact CG2-CG1 4.33Å; I754-I758 VanDerWaalsContact O-CG1 3.32Å; I754-I758 WeakPolarHBondContact O-CG1 3.41Å; I754-I758 PolarHBondContact O-N 3.14Å; K755-I758 PolarHBondContact O-N 3.14Å; I758-M761 PolarHBondContact O-N 3.05Å; I758-K762 HydrophobicContact CG2-CD 4.11Å; I758-K762 WeakPolarHBondContact O-CG 3.44Å; I758-K762 PolarHBondContact O-N 3.31Å; I758-V781 HydrophobicContact CG2-CG1 4.35Å; I758-L784 HydrophobicContact CD1-CB 3.92Å; I758-L784 HydrophobicContact CG1-CB 3.67Å; I758-L784 HydrophobicContact CG1-CD1 4.01Å; I758-L784 HydrophobicContact CG1-CG 4.45Å; I758-L788 HydrophobicContact CD1-CD2 4.34Å
759	S	84.5	Confident	80.7	Confident	57 Å²	57	62.4 Å²	62.4	40%	0.399	32%	0.323	S	S	.	.	H	α-helix	trans	-64.5	-42.2	-180	63.1	0	0	0	0	112	K755 S756 V757 K762 I763	K755-S759 PolarHBondContact O-N 3.43Å; K755-S759 PolarHBondContact O-OG 2.74Å; S756-S759 PolarHBondContact O-OG 2.52Å; V757-S759 PolarHBondContact O-N 3.38Å; S759-K762 PolarHBondContact O-N 3.16Å; S759-I763 WeakPolarHBondContact O-CD1 3.4Å; S759-I763 VanDerWaalsContact O-CG1 3.28Å; S759-I763 WeakPolarHBondContact O-CG1 3.28Å; S759-I763 PolarHBondContact O-N 3Å; S759-I763 VanDerWaalsContact O-N 3.1Å
760	K	83.1	Confident	80	Confident	67 Å²	67	61.5 Å²	61.5	29%	0.291	32%	0.319	S	S	.	.	H	α-helix	trans	-61.3	-45.8	175.1	-84.2	-173.7	178.6	-165.8	0	113	W699 E700 S756 V757 K762 I763 A764	W699-K760 HydrophobicContact CH2-CB 4.04Å; W699-K760 HydrophobicContact CH2-CD 4.26Å; W699-K760 HydrophobicContact CZ2-CB 4.18Å; W699-K760 HydrophobicContact CZ2-CD 3.61Å; E700-K760 HydrophobicContact CG-CB 4.35Å; E700-K760 VanDerWaalsContact OE1-CB 3.25Å; E700-K760 WeakPolarHBondContact OE1-CB 3.18Å; S756-K760 WeakPolarHBondContact O-CB 3.46Å; S756-K760 WeakPolarHBondContact O-CG 3.47Å; S756-K760 PolarHBondContact O-N 3.22Å; V757-K760 PolarHBondContact O-N 3.45Å; K760-K762 PolarHBondContact O-N 3.5Å; K760-I763 PolarHBondContact O-N 3.35Å; K760-A764 PolarHBondContact O-N 2.73Å
761	M	79.9	Confident	79.4	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-38.7	177.3	-70	-170.2	74.5	0	0	112.7	W699 C706 V757 I758 A764 E765 I777 V781 L784	W699-M761 HydrophobicContact CH2-CG 4.42Å; W699-M761 HydrophobicContact CZ3-CG 4.06Å; C706-M761 HydrophobicContact CB-CE 4.35Å; V757-M761 HydrophobicContact CG1-CG 4.36Å; V757-M761 HydrophobicContact CG1-SD 4.1Å; V757-M761 WeakPolarHBondContact O-CG 3.42Å; V757-M761 PolarHBondContact O-N 3.11Å; I758-M761 PolarHBondContact O-N 3.05Å; M761-A764 WeakPolarHBondContact O-CB 3.32Å; M761-A764 PolarHBondContact O-N 3.35Å; M761-E765 PolarHBondContact O-N 2.91Å; M761-I777 HydrophobicContact CB-CG2 4.18Å; M761-I777 HydrophobicContact CE-CB 4.44Å; M761-I777 HydrophobicContact CE-CG1 4.3Å; M761-I777 HydrophobicContact CE-CG2 4.18Å; M761-V781 HydrophobicContact CB-CG2 3.91Å; M761-L784 HydrophobicContact SD-CD1 3.75Å
762	K	82.3	Confident	78.7	Confident	101 Å²	101	67.5 Å²	67.5	44%	0.439	36%	0.362	S	S	.	.	H	α-helix	trans	-63.6	-40.6	174.6	-74.3	177.4	177.6	-176.8	0	112.6	I758 S759 K760 A764 E765 E766	I758-K762 HydrophobicContact CG2-CD 4.11Å; I758-K762 WeakPolarHBondContact O-CG 3.44Å; I758-K762 PolarHBondContact O-N 3.31Å; S759-K762 PolarHBondContact O-N 3.16Å; K760-K762 PolarHBondContact O-N 3.5Å; K762-A764 VanDerWaalsContact C-N 3.3Å; K762-A764 PolarHBondContact O-N 3.35Å; K762-E765 WeakPolarHBondContact O-CB 3.31Å; K762-E765 PolarHBondContact O-N 2.82Å; K762-E766 PolarHBondContact O-N 3.17Å
763	I	80.4	Confident	77.9	Confident	106 Å²	106	63.1 Å²	63.1	54%	0.544	34%	0.341	S	S	.	.	H	α-helix	trans	-63.2	-40.3	174.8	-66.5	162.7	0	0	0	110.4	S759 K760 E766 S767	S759-I763 WeakPolarHBondContact O-CD1 3.4Å; S759-I763 VanDerWaalsContact O-CG1 3.28Å; S759-I763 WeakPolarHBondContact O-CG1 3.28Å; S759-I763 PolarHBondContact O-N 3Å; S759-I763 VanDerWaalsContact O-N 3.1Å; K760-I763 PolarHBondContact O-N 3.35Å; I763-E766 PolarHBondContact O-N 3.14Å; I763-S767 PolarHBondContact O-N 3.38Å
764	A	76.7	Confident	77.4	Confident	2 Å²	2	65.4 Å²	65.4	2%	0.017	35%	0.349	C	S	.	.	H	α-helix	trans	-64.5	-41.1	176.3	0	0	0	0	0	112.5	E700 K760 M761 K762 E766 S767 I768 I777	E700-A764 HydrophobicContact CB-CB 3.53Å; E700-A764 HydrophobicContact CG-CB 4.24Å; K760-A764 PolarHBondContact O-N 2.73Å; M761-A764 WeakPolarHBondContact O-CB 3.32Å; M761-A764 PolarHBondContact O-N 3.35Å; K762-A764 VanDerWaalsContact C-N 3.3Å; K762-A764 PolarHBondContact O-N 3.35Å; A764-E766 VanDerWaalsContact C-N 3.25Å; A764-E766 PolarHBondContact O-N 3.43Å; A764-S767 PolarHBondContact O-N 3.45Å; A764-S767 PolarHBondContact O-OG 3.38Å; A764-I768 HydrophobicContact CB-CD1 4.23Å; A764-I768 VanDerWaalsContact O-CD1 3.31Å; A764-I768 WeakPolarHBondContact O-CD1 3.22Å; A764-I768 VanDerWaalsContact O-CG1 3.27Å; A764-I768 WeakPolarHBondContact O-CG1 3.47Å; A764-I768 PolarHBondContact O-N 2.91Å; A764-I777 HydrophobicContact CB-CD1 4.38Å
765	E	75.8	Confident	77	Confident	55 Å²	55	70.9 Å²	70.9	26%	0.257	38%	0.378	S	S	.	.	H	α-helix	trans	-54	-40.5	176.5	-163.2	179.7	171.2	0	0	112.4	M761 K762 S767 Q774 I777 H778	M761-E765 PolarHBondContact O-N 2.91Å; K762-E765 WeakPolarHBondContact O-CB 3.31Å; K762-E765 PolarHBondContact O-N 2.82Å; E765-S767 VanDerWaalsContact C-N 3.29Å; E765-S767 PolarHBondContact O-N 3.45Å; E765-Q774 HydrophobicContact CG-CG 4.4Å; E765-Q774 PolarHBondContact O-NE2 2.97Å; E765-I777 HydrophobicContact CB-CD1 4.45Å; E765-I777 HydrophobicContact CB-CG2 3.96Å; E765-I777 HydrophobicContact CG-CG2 4.17Å; E765-H778 IonicContact OE1-ND1 4Å
766	E	76	Confident	76.4	Confident	172 Å²	172	68 Å²	68	80%	0.804	37%	0.366	S	S	*	.	H	α-helix	trans	-69.7	-24.5	177.5	-67.4	177	-179.9	0	0	113.2	K762 I763 A764	K762-E766 PolarHBondContact O-N 3.17Å; I763-E766 PolarHBondContact O-N 3.14Å; A764-E766 VanDerWaalsContact C-N 3.25Å; A764-E766 PolarHBondContact O-N 3.43Å
767	S	71.1	Confident	75.8	Confident	78 Å²	78	65.7 Å²	65.7	55%	0.545	35%	0.35	S	S	.	.	H	α-helix	trans	-94.7	-16.7	-172.4	73.2	0	0	0	0	114.9	I763 A764 E765	I763-S767 PolarHBondContact O-N 3.38Å; A764-S767 PolarHBondContact O-N 3.45Å; A764-S767 PolarHBondContact O-OG 3.38Å; E765-S767 VanDerWaalsContact C-N 3.29Å; E765-S767 PolarHBondContact O-N 3.45Å
768	I	65	Low	75.6	Confident	23 Å²	23	71.3 Å²	71.3	12%	0.118	38%	0.376	C	S	.	.			trans	-100.8	134.1	-169.4	-63	160.5	0	0	0	111.2	Q701 A764 V773 Q774 I777	Q701-I768 HydrophobicContact CG-CD1 3.82Å; Q701-I768 HydrophobicContact CG-CG1 4.31Å; A764-I768 HydrophobicContact CB-CD1 4.23Å; A764-I768 VanDerWaalsContact O-CD1 3.31Å; A764-I768 WeakPolarHBondContact O-CD1 3.22Å; A764-I768 VanDerWaalsContact O-CG1 3.27Å; A764-I768 WeakPolarHBondContact O-CG1 3.47Å; A764-I768 PolarHBondContact O-N 2.91Å; I768-V773 HydrophobicContact CD1-CG1 3.74Å; I768-V773 HydrophobicContact CG2-CB 3.95Å; I768-V773 HydrophobicContact CG2-CG1 3.97Å; I768-Q774 PolarHBondContact O-NE2 3.36Å; I768-I777 HydrophobicContact CD1-CD1 3.73Å
769	L	57	Low	75.5	Confident	183 Å²	183	74.1 Å²	74.1	96%	0.958	40%	0.397	S	S	*	.			trans	-89	-14.8	-176.7	-78.9	156.2	0	0	0	115
770	S	73.3	Confident	75.3	Confident	53 Å²	53	72 Å²	72	37%	0.371	38%	0.382	S	S	.	.			trans	-90.6	125	-178.5	62.8	0	0	0	0	111.9	D772 V773 Q774	S770-D772 VanDerWaalsContact C-N 3.34Å; S770-D772 PolarHBondContact O-N 3.35Å; S770-V773 PolarHBondContact O-N 3.37Å; S770-V773 WeakPolarHBondContact OG-CB 3.28Å; S770-V773 WeakPolarHBondContact OG-CG2 3.02Å; S770-Q774 PolarHBondContact O-N 3.15Å
771	T	72.1	Confident	75.2	Confident	92 Å²	92	69.2 Å²	69.2	56%	0.564	37%	0.371	S	S	*	.	H	α-helix	trans	-58.1	-40.1	178.5	44.1	0	0	0	0	113.3	V773 Q774 D775	T771-V773 PolarHBondContact O-N 2.92Å; T771-Q774 PolarHBondContact O-N 3.3Å; T771-Q774 VanDerWaalsContact O-N 3.09Å; T771-D775 PolarHBondContact O-N 2.97Å
772	D	74.1	Confident	75.4	Confident	129 Å²	129	75.2 Å²	75.2	69%	0.69	40%	0.396	S	S	*	.	H	α-helix	trans	-61.1	-33.3	-178.4	-61.2	-9.9	0	0	0	112.7	S770 M776	S770-D772 VanDerWaalsContact C-N 3.34Å; S770-D772 PolarHBondContact O-N 3.35Å; D772-M776 WeakPolarHBondContact O-CB 3.45Å; D772-M776 PolarHBondContact O-N 2.77Å
773	V	70.8	Confident	75.4	Confident	30 Å²	30	73 Å²	73	18%	0.182	39%	0.389	C	S	.	.	H	α-helix	trans	-79	-33.1	178.5	179.8	0	0	0	0	111	I768 S770 T771 M776 I777	I768-V773 HydrophobicContact CD1-CG1 3.74Å; I768-V773 HydrophobicContact CG2-CB 3.95Å; I768-V773 HydrophobicContact CG2-CG1 3.97Å; S770-V773 PolarHBondContact O-N 3.37Å; S770-V773 WeakPolarHBondContact OG-CB 3.28Å; S770-V773 WeakPolarHBondContact OG-CG2 3.02Å; T771-V773 PolarHBondContact O-N 2.92Å; V773-M776 HydrophobicContact CG1-CE 3.86Å; V773-M776 PolarHBondContact O-N 3.24Å; V773-I777 HydrophobicContact CG1-CD1 3.97Å; V773-I777 HydrophobicContact CG1-CG1 4.45Å; V773-I777 VanDerWaalsContact O-CG1 3.26Å; V773-I777 WeakPolarHBondContact O-CG1 3.47Å; V773-I777 PolarHBondContact O-N 3.32Å
774	Q	73.3	Confident	75.5	Confident	69 Å²	69	67.9 Å²	67.9	32%	0.322	36%	0.363	S	S	.	.	H	α-helix	trans	-65.9	-47.2	174.9	-73.4	-178	-29.7	0	0	111.8	E765 I768 S770 T771 M776 I777 H778	E765-Q774 HydrophobicContact CG-CG 4.4Å; E765-Q774 PolarHBondContact O-NE2 2.97Å; I768-Q774 PolarHBondContact O-NE2 3.36Å; S770-Q774 PolarHBondContact O-N 3.15Å; T771-Q774 PolarHBondContact O-N 3.3Å; T771-Q774 VanDerWaalsContact O-N 3.09Å; Q774-M776 VanDerWaalsContact C-N 3.25Å; Q774-M776 PolarHBondContact O-N 2.84Å; Q774-I777 PolarHBondContact O-N 3.28Å; Q774-I777 VanDerWaalsContact O-N 3.15Å; Q774-H778 WeakPolarHBondContact O-CB 3.49Å; Q774-H778 PolarHBondContact O-N 3.48Å
775	D	78.1	Confident	75.9	Confident	117 Å²	117	70.8 Å²	70.8	63%	0.626	38%	0.379	S	S	*	.	H	α-helix	trans	-59.5	-39.4	177.2	-75.4	-18.9	0	0	0	111.5	T771 H778 S779	T771-D775 PolarHBondContact O-N 2.97Å; D775-H778 PolarHBondContact O-N 3.14Å; D775-S779 PolarHBondContact O-N 3.28Å
776	M	75.7	Confident	76.4	Confident	31 Å²	31	73.1 Å²	73.1	15%	0.153	39%	0.389	C	S	.	.	H	α-helix	trans	-64.5	-45.2	174.7	177.2	-84.1	-55	0	0	112.8	T703 C706 D772 V773 Q774 H778 S779 S780	T703-M776 HydrophobicContact CG2-CE 3.86Å; T703-M776 HydrophobicContact CG2-CG 3.75Å; T703-M776 HydrophobicContact CG2-SD 4.13Å; C706-M776 HydrophobicContact CB-SD 4.45Å; D772-M776 WeakPolarHBondContact O-CB 3.45Å; D772-M776 PolarHBondContact O-N 2.77Å; V773-M776 HydrophobicContact CG1-CE 3.86Å; V773-M776 PolarHBondContact O-N 3.24Å; Q774-M776 VanDerWaalsContact C-N 3.25Å; Q774-M776 PolarHBondContact O-N 2.84Å; M776-H778 VanDerWaalsContact C-N 3.29Å; M776-H778 PolarHBondContact O-N 3.18Å; M776-S779 PolarHBondContact O-N 3.33Å; M776-S780 WeakPolarHBondContact O-CB 3.29Å; M776-S780 PolarHBondContact O-N 3.1Å; M776-S780 PolarHBondContact O-OG 3.28Å
777	I	73.8	Confident	76.8	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-61.3	-42.5	176.1	-71.5	166.5	0	0	0	109.8	M761 A764 E765 I768 V773 Q774 S779 S780 V781	M761-I777 HydrophobicContact CB-CG2 4.18Å; M761-I777 HydrophobicContact CE-CB 4.44Å; M761-I777 HydrophobicContact CE-CG1 4.3Å; M761-I777 HydrophobicContact CE-CG2 4.18Å; A764-I777 HydrophobicContact CB-CD1 4.38Å; E765-I777 HydrophobicContact CB-CD1 4.45Å; E765-I777 HydrophobicContact CB-CG2 3.96Å; E765-I777 HydrophobicContact CG-CG2 4.17Å; I768-I777 HydrophobicContact CD1-CD1 3.73Å; V773-I777 HydrophobicContact CG1-CD1 3.97Å; V773-I777 HydrophobicContact CG1-CG1 4.45Å; V773-I777 VanDerWaalsContact O-CG1 3.26Å; V773-I777 WeakPolarHBondContact O-CG1 3.47Å; V773-I777 PolarHBondContact O-N 3.32Å; Q774-I777 PolarHBondContact O-N 3.28Å; Q774-I777 VanDerWaalsContact O-N 3.15Å; I777-S779 PolarHBondContact O-N 3.45Å; I777-S780 PolarHBondContact O-N 3.17Å; I777-V781 HydrophobicContact CG2-CG2 4.08Å; I777-V781 WeakPolarHBondContact O-CB 3.33Å; I777-V781 VanDerWaalsContact O-CG2 3.25Å; I777-V781 WeakPolarHBondContact O-CG2 2.91Å; I777-V781 PolarHBondContact O-N 3.34Å
778	H	79.9	Confident	77.4	Confident	120 Å²	120	63 Å²	63	56%	0.556	33%	0.334	S	S	*	.	H	α-helix	trans	-61.6	-45.2	179.2	-161.6	75.5	0	0	0	112.2	E765 Q774 D775 M776 V781 K782	E765-H778 IonicContact OE1-ND1 4Å; Q774-H778 WeakPolarHBondContact O-CB 3.49Å; Q774-H778 PolarHBondContact O-N 3.48Å; D775-H778 PolarHBondContact O-N 3.14Å; M776-H778 VanDerWaalsContact C-N 3.29Å; M776-H778 PolarHBondContact O-N 3.18Å; H778-V781 PolarHBondContact O-N 3.1Å; H778-K782 PolarHBondContact O-N 3.19Å
779	S	82.6	Confident	78.4	Confident	70 Å²	70	65.8 Å²	65.8	49%	0.49	35%	0.349	S	S	.	.	H	α-helix	trans	-60.7	-45.9	174.5	-171.1	0	0	0	0	111.8	D775 M776 I777 V781 K782 D783	D775-S779 PolarHBondContact O-N 3.28Å; M776-S779 PolarHBondContact O-N 3.33Å; I777-S779 PolarHBondContact O-N 3.45Å; S779-V781 PolarHBondContact O-N 3.28Å; S779-K782 WeakPolarHBondContact O-CB 3.3Å; S779-K782 PolarHBondContact O-N 3.49Å; S779-D783 PolarHBondContact O-N 3.16Å; S779-D783 VanDerWaalsContact O-N 3.08Å
780	S	80.2	Confident	79.7	Confident	11 Å²	11	60.4 Å²	60.4	8%	0.077	32%	0.321	C	S	.	.	H	α-helix	trans	-63.9	-39.4	179.2	-64	0	0	0	0	112.7	M776 I777 K782 D783 L784	M776-S780 WeakPolarHBondContact O-CB 3.29Å; M776-S780 PolarHBondContact O-N 3.1Å; M776-S780 PolarHBondContact O-OG 3.28Å; I777-S780 PolarHBondContact O-N 3.17Å; S780-K782 VanDerWaalsContact C-N 3.33Å; S780-D783 PolarHBondContact O-N 3.44Å; S780-L784 WeakPolarHBondContact O-CG 3.49Å; S780-L784 PolarHBondContact O-N 3.5Å
781	V	80.9	Confident	80.1	Confident	10 Å²	10	57.9 Å²	57.9	6%	0.061	30%	0.303	C	S	.	.	H	α-helix	trans	-67.3	-35.5	175.6	168.3	0	0	0	0	110.7	I758 M761 I777 H778 S779 L784 N785	I758-V781 HydrophobicContact CG2-CG1 4.35Å; M761-V781 HydrophobicContact CB-CG2 3.91Å; I777-V781 HydrophobicContact CG2-CG2 4.08Å; I777-V781 WeakPolarHBondContact O-CB 3.33Å; I777-V781 VanDerWaalsContact O-CG2 3.25Å; I777-V781 WeakPolarHBondContact O-CG2 2.91Å; I777-V781 PolarHBondContact O-N 3.34Å; H778-V781 PolarHBondContact O-N 3.1Å; S779-V781 PolarHBondContact O-N 3.28Å; V781-L784 PolarHBondContact O-N 2.79Å; V781-N785 WeakPolarHBondContact CG1-ND2 3.36Å; V781-N785 PolarHBondContact O-N 3.12Å; V781-N785 PolarHBondContact O-ND2 2.63Å
782	K	84.2	Confident	80.7	Confident	127 Å²	127	56.1 Å²	56.1	55%	0.552	29%	0.289	S	S	*	.	H	α-helix	trans	-62.5	-49.8	173.9	-170.5	-173.6	172.9	-167.2	0	111.4	H778 S779 S780 L784 N785 E786	H778-K782 PolarHBondContact O-N 3.19Å; S779-K782 WeakPolarHBondContact O-CB 3.3Å; S779-K782 PolarHBondContact O-N 3.49Å; S780-K782 VanDerWaalsContact C-N 3.33Å; K782-L784 VanDerWaalsContact C-N 3.29Å; K782-L784 PolarHBondContact O-N 3.34Å; K782-N785 PolarHBondContact O-N 3.13Å; K782-N785 VanDerWaalsContact O-N 3.11Å; K782-E786 PolarHBondContact O-N 2.62Å
783	D	82.5	Confident	81.2	Confident	54 Å²	54	58.1 Å²	58.1	29%	0.289	29%	0.286	S	S	.	.	H	α-helix	trans	-54.2	-44.6	174.6	-86.7	31.4	0	0	0	111.9	K714 S779 S780 E786 L787	K714-D783 IonicContact NZ-OD2 3.67Å; K714-D783 PolarHBondContact NZ-OD2 2.81Å; K714-D783 VanDerWaalsContact NZ-OD2 3.15Å; S779-D783 PolarHBondContact O-N 3.16Å; S779-D783 VanDerWaalsContact O-N 3.08Å; S780-D783 PolarHBondContact O-N 3.44Å; D783-E786 PolarHBondContact O-N 3.18Å; D783-L787 WeakPolarHBondContact O-CG 3.29Å; D783-L787 PolarHBondContact O-N 3.09Å
784	L	82.7	Confident	81.6	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67.5	-34.8	178.2	-72.8	169.1	0	0	0	113.2	I710 L713 I754 V757 I758 M761 S780 V781 K782 L787 L788	I710-L784 HydrophobicContact CD1-CG 4.48Å; I710-L784 HydrophobicContact CG1-CD1 4.47Å; I710-L784 HydrophobicContact CG1-CD2 4.06Å; I710-L784 HydrophobicContact CG1-CG 4.13Å; L713-L784 HydrophobicContact CD1-CD2 3.68Å; I754-L784 HydrophobicContact CG2-CB 4.46Å; I754-L784 HydrophobicContact CG2-CD2 4.44Å; V757-L784 HydrophobicContact CB-CD1 4.49Å; V757-L784 HydrophobicContact CG1-CD1 3.64Å; I758-L784 HydrophobicContact CD1-CB 3.92Å; I758-L784 HydrophobicContact CG1-CB 3.67Å; I758-L784 HydrophobicContact CG1-CD1 4.01Å; I758-L784 HydrophobicContact CG1-CG 4.45Å; M761-L784 HydrophobicContact SD-CD1 3.75Å; S780-L784 WeakPolarHBondContact O-CG 3.49Å; S780-L784 PolarHBondContact O-N 3.5Å; V781-L784 PolarHBondContact O-N 2.79Å; K782-L784 VanDerWaalsContact C-N 3.29Å; K782-L784 PolarHBondContact O-N 3.34Å; L784-L787 HydrophobicContact CD2-CD1 4.41Å; L784-L787 PolarHBondContact O-N 2.87Å; L784-L788 WeakPolarHBondContact O-CB 3.49Å; L784-L788 PolarHBondContact O-N 3.44Å
785	N	85.2	Confident	81.9	Confident	63 Å²	63	60.9 Å²	60.9	34%	0.337	30%	0.297	S	S	.	.	H	α-helix	trans	-68.4	-38.7	174.5	-75.2	-51.9	0	0	0	111.5	V781 K782 L788 I789	V781-N785 WeakPolarHBondContact CG1-ND2 3.36Å; V781-N785 PolarHBondContact O-N 3.12Å; V781-N785 PolarHBondContact O-ND2 2.63Å; K782-N785 PolarHBondContact O-N 3.13Å; K782-N785 VanDerWaalsContact O-N 3.11Å; N785-L788 PolarHBondContact O-N 2.87Å; N785-I789 WeakPolarHBondContact O-CG1 3.32Å; N785-I789 PolarHBondContact O-N 3.35Å
786	E	86.9	Confident	82	Confident	103 Å²	103	64.2 Å²	64.2	48%	0.481	32%	0.315	S	S	.	.	H	α-helix	trans	-61.8	-45.8	173.3	-71.5	-179.5	-171.3	0	0	110.8	K782 D783 L788 I789 D790	K782-E786 PolarHBondContact O-N 2.62Å; D783-E786 PolarHBondContact O-N 3.18Å; E786-L788 VanDerWaalsContact C-N 3.32Å; E786-L788 PolarHBondContact O-N 2.99Å; E786-I789 PolarHBondContact O-N 3.38Å; E786-D790 PolarHBondContact O-N 3.13Å; E786-D790 VanDerWaalsContact O-N 3.16Å
787	L	83.1	Confident	82.3	Confident	17 Å²	17	65.9 Å²	65.9	9%	0.089	32%	0.323	C	S	.	.	H	α-helix	trans	-60.5	-38.9	173.8	-70.2	168.7	0	0	0	112.9	I710 K714 L717 I754 D783 L784 I789 D790 V791	I710-L787 HydrophobicContact CG2-CD1 4.26Å; K714-L787 HydrophobicContact CD-CD1 4.49Å; K714-L787 HydrophobicContact CG-CD1 3.72Å; K714-L787 HydrophobicContact CG-CD2 3.8Å; K714-L787 HydrophobicContact CG-CG 4.37Å; L717-L787 HydrophobicContact CD2-CD2 3.71Å; I754-L787 HydrophobicContact CD1-CB 4.44Å; D783-L787 WeakPolarHBondContact O-CG 3.29Å; D783-L787 PolarHBondContact O-N 3.09Å; L784-L787 HydrophobicContact CD2-CD1 4.41Å; L784-L787 PolarHBondContact O-N 2.87Å; L787-I789 VanDerWaalsContact C-N 3.35Å; L787-D790 PolarHBondContact O-N 3.32Å; L787-V791 WeakPolarHBondContact O-CG2 3.41Å; L787-V791 PolarHBondContact O-N 2.94Å
788	L	84.3	Confident	82.7	Confident	20 Å²	20	69.3 Å²	69.3	11%	0.105	34%	0.34	C	S	.	.	H	α-helix	trans	-63.8	-40.6	177.5	-175.1	63.9	0	0	0	111.6	R751 I754 K755 I758 L784 N785 E786 D790 V791 E792	R751-L788 HydrophobicContact CG-CD1 3.74Å; I754-L788 HydrophobicContact CB-CD1 4.36Å; I754-L788 HydrophobicContact CG2-CB 3.98Å; I754-L788 HydrophobicContact CG2-CD1 4.1Å; K755-L788 HydrophobicContact CG-CD1 4.15Å; K755-L788 HydrophobicContact CG-CD2 4.13Å; I758-L788 HydrophobicContact CD1-CD2 4.34Å; L784-L788 WeakPolarHBondContact O-CB 3.49Å; L784-L788 PolarHBondContact O-N 3.44Å; N785-L788 PolarHBondContact O-N 2.87Å; E786-L788 VanDerWaalsContact C-N 3.32Å; E786-L788 PolarHBondContact O-N 2.99Å; L788-D790 VanDerWaalsContact C-N 3.34Å; L788-V791 PolarHBondContact O-N 3.22Å; L788-E792 WeakPolarHBondContact O-CB 3.28Å; L788-E792 WeakPolarHBondContact O-CG 3.44Å; L788-E792 PolarHBondContact O-N 3.38Å
789	I	85.8	Confident	82.9	Confident	82 Å²	82	66.5 Å²	66.5	42%	0.421	33%	0.328	S	S	.	.	H	α-helix	trans	-62	-43.4	176.7	-69.3	163.7	0	0	0	110.4	N785 E786 L787 E792 R793	N785-I789 WeakPolarHBondContact O-CG1 3.32Å; N785-I789 PolarHBondContact O-N 3.35Å; E786-I789 PolarHBondContact O-N 3.38Å; L787-I789 VanDerWaalsContact C-N 3.35Å; I789-E792 PolarHBondContact O-N 2.89Å; I789-R793 HydrophobicContact CG2-CG 4.47Å; I789-R793 WeakPolarHBondContact O-CB 3.34Å; I789-R793 WeakPolarHBondContact O-CG 3.39Å; I789-R793 PolarHBondContact O-N 3.45Å
790	D	83.5	Confident	82.9	Confident	71 Å²	71	66.3 Å²	66.3	38%	0.38	32%	0.319	S	S	.	.	H	α-helix	trans	-67.4	-38.6	179.7	-74.8	-17.5	0	0	0	112.6	L717 E786 L787 L788 R793 K794	L717-D790 HydrophobicContact CD2-CB 4.4Å; E786-D790 PolarHBondContact O-N 3.13Å; E786-D790 VanDerWaalsContact O-N 3.16Å; L787-D790 PolarHBondContact O-N 3.32Å; L788-D790 VanDerWaalsContact C-N 3.34Å; D790-R793 PolarHBondContact O-N 2.99Å; D790-R793 IonicContact OD1-NH1 2.81Å; D790-R793 PolarHBondContact OD1-NH1 2.8Å; D790-R793 VanDerWaalsContact OD1-NH1 3.16Å; D790-K794 PolarHBondContact O-N 3.27Å
791	V	83.3	Confident	83.1	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.5	-45.2	172.1	170.3	0	0	0	0	111.3	L717 L747 L750 R751 I754 L787 L788 K794 L795	L717-V791 HydrophobicContact CD1-CG2 3.59Å; L717-V791 HydrophobicContact CD2-CG2 4.27Å; L717-V791 HydrophobicContact CG-CG2 4.49Å; L747-V791 HydrophobicContact CD2-CG1 4.46Å; L750-V791 HydrophobicContact CD2-CG2 3.72Å; L750-V791 HydrophobicContact CG-CG2 4.14Å; R751-V791 HydrophobicContact CB-CG1 3.94Å; I754-V791 HydrophobicContact CD1-CG2 3.99Å; L787-V791 WeakPolarHBondContact O-CG2 3.41Å; L787-V791 PolarHBondContact O-N 2.94Å; L788-V791 PolarHBondContact O-N 3.22Å; V791-K794 PolarHBondContact O-N 3.37Å; V791-L795 HydrophobicContact CG1-CD1 3.84Å; V791-L795 PolarHBondContact O-N 2.96Å; V791-L795 VanDerWaalsContact O-N 3.1Å
792	E	84.5	Confident	83.2	Confident	54 Å²	54	73.7 Å²	73.7	25%	0.252	35%	0.352	S	S	.	.	H	α-helix	trans	-66.8	-35.7	179.2	-73.3	-174.9	165.8	0	0	112.4	R751 K755 L788 I789 K794 L795 N796	R751-E792 IonicContact CZ-OE1 2.66Å; R751-E792 IonicContact NE-OE1 3.42Å; R751-E792 PolarHBondContact NE-OE1 3.31Å; R751-E792 IonicContact NH2-OE1 2.72Å; R751-E792 PolarHBondContact NH2-OE1 3.28Å; K755-E792 IonicContact NZ-OE1 3.7Å; L788-E792 WeakPolarHBondContact O-CB 3.28Å; L788-E792 WeakPolarHBondContact O-CG 3.44Å; L788-E792 PolarHBondContact O-N 3.38Å; I789-E792 PolarHBondContact O-N 2.89Å; E792-K794 VanDerWaalsContact C-N 3.3Å; E792-K794 PolarHBondContact O-N 3.27Å; E792-L795 PolarHBondContact O-N 3.28Å; E792-N796 VanDerWaalsContact O-CG 3.26Å; E792-N796 PolarHBondContact O-N 3.33Å; E792-N796 VanDerWaalsContact O-N 3.15Å; E792-N796 PolarHBondContact O-ND2 3.35Å
793	R	84.6	Confident	83.2	Confident	171 Å²	171	69.9 Å²	69.9	65%	0.645	34%	0.338	S	S	*	.	H	α-helix	trans	-63.4	-31.2	174	-80.7	176.2	-179.7	159.5	-2.8	114	I789 D790	I789-R793 HydrophobicContact CG2-CG 4.47Å; I789-R793 WeakPolarHBondContact O-CB 3.34Å; I789-R793 WeakPolarHBondContact O-CG 3.39Å; I789-R793 PolarHBondContact O-N 3.45Å; D790-R793 PolarHBondContact O-N 2.99Å; D790-R793 IonicContact OD1-NH1 2.81Å; D790-R793 PolarHBondContact OD1-NH1 2.8Å; D790-R793 VanDerWaalsContact OD1-NH1 3.16Å
794	K	78.3	Confident	83.2	Confident	105 Å²	105	71.2 Å²	71.2	46%	0.457	34%	0.341	S	S	.	.	H	α-helix	trans	-86.9	-26.4	178.6	-76.6	-161.3	171.7	-156	0	114.1	N721 L747 D790 V791 E792	N721-K794 VanDerWaalsContact CA-NZ 3.31Å; N721-K794 VanDerWaalsContact CB-NZ 3.27Å; N721-K794 WeakPolarHBondContact OD1-CD 3.49Å; N721-K794 WeakPolarHBondContact OD1-CE 3.32Å; N721-K794 PolarHBondContact OD1-NZ 3.46Å; L747-K794 HydrophobicContact CD1-CB 4.19Å; D790-K794 PolarHBondContact O-N 3.27Å; V791-K794 PolarHBondContact O-N 3.37Å; E792-K794 VanDerWaalsContact C-N 3.3Å; E792-K794 PolarHBondContact O-N 3.27Å
795	L	80.2	Confident	83.3	Confident	53 Å²	53	77.1 Å²	77.1	28%	0.277	37%	0.37	S	S	.	.	H	α-helix	trans	-72.4	-36.4	174.5	-98.2	153.5	0	0	0	112.1	L747 A748 R751 V791 E792	L747-L795 HydrophobicContact CB-CD1 4.02Å; L747-L795 HydrophobicContact CB-CD2 4.38Å; L747-L795 HydrophobicContact CB-CG 3.92Å; A748-L795 HydrophobicContact CB-CD2 4.41Å; R751-L795 HydrophobicContact CB-CD1 4.41Å; V791-L795 HydrophobicContact CG1-CD1 3.84Å; V791-L795 PolarHBondContact O-N 2.96Å; V791-L795 VanDerWaalsContact O-N 3.1Å; E792-L795 PolarHBondContact O-N 3.28Å
796	N	79.8	Confident	83.1	Confident	186 Å²	186	78.4 Å²	78.4	100%	0.995	37%	0.373	S	S	*	.			trans	-76.8	0	172.1	-64.9	-26.5	0	0	0	110.7	E792	E792-N796 VanDerWaalsContact O-CG 3.26Å; E792-N796 PolarHBondContact O-N 3.33Å; E792-N796 VanDerWaalsContact O-N 3.15Å; E792-N796 PolarHBondContact O-ND2 3.35Å

Retrieved 796 of 796 residues in 253.5 ms (Link to these results)

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