A0A087YH27_POEFO Loading...

Cleavage stimulation factor subunit 3

One of the multiple factors required for polyadenylation and 3'-end cleavage of mammalian pre-mRNAs.

AlphaFold DB , UniProt , Accession A0A087YH27, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 716 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	36.3	Very low	35.8	Very low	246 Å²	246	144.4 Å²	144.4	100%	1.212	88%	0.879	S	S	*	*				0	144.8	0	-82.1	176	162.8	0	0	107.9
2	S	34.7	Very low	36.6	Very low	118 Å²	118	140.1 Å²	140.1	83%	0.825	87%	0.869	S	S	*	*			trans	-85.7	140.3	-152.5	-42	0	0	0	0	114.2
3	T	33.2	Very low	38.3	Very low	146 Å²	146	139.2 Å²	139.2	90%	0.896	85%	0.849	S	S	*	*			trans	-131.5	63.4	163.5	54.5	0	0	0	0	109.6
4	E	38.4	Very low	40.5	Very low	194 Å²	194	143.3 Å²	143.3	91%	0.907	84%	0.843	S	S	*	*			trans	-111.4	121.6	160.9	-74.9	-174.8	143.1	0	0	107.2
5	G	38.2	Very low	42.6	Very low	70 Å²	70	139.1 Å²	139.1	72%	0.722	82%	0.815	S	S	*	*			trans	150	67.2	177.6	0	0	0	0	0	115.6
6	T	35.2	Very low	44.9	Very low	135 Å²	135	132.3 Å²	132.3	83%	0.828	78%	0.776	S	S	*	*			trans	179.4	72.8	144.6	38.5	0	0	0	0	110.4
7	A	32.9	Very low	47	Very low	107 Å²	107	131.8 Å²	131.8	88%	0.884	76%	0.764	S	S	*	*			trans	-123.2	13.2	171.6	0	0	0	0	0	113.5
8	E	35.6	Very low	49	Very low	194 Å²	194	133.5 Å²	133.5	91%	0.907	76%	0.761	S	S	*	*			trans	-118.8	74.8	172.6	-72.3	-169	132.2	0	0	110.4
9	Q	35.5	Very low	50.8	Low	178 Å²	178	127.5 Å²	127.5	83%	0.832	73%	0.727	S	S	*	*	S	Bend	trans	-123.8	106.3	163.4	-78.7	-170.7	-11.4	0	0	110.5
10	A	37	Very low	52.7	Low	97 Å²	97	127.5 Å²	127.5	80%	0.802	72%	0.718	S	S	*	*			trans	47.2	72.6	155.9	0	0	0	0	0	117.3	A12	A10-A12 VanDerWaalsContact C-N 3.3Å; A10-A12 PolarHBondContact O-N 2.61Å
11	A	36.8	Very low	54.3	Low	103 Å²	103	127.4 Å²	127.4	85%	0.851	71%	0.71	S	S	*	*			trans	-62.4	97.9	147.3	0	0	0	0	0	108.3	E13	A11-E13 PolarHBondContact O-N 3.27Å; A11-E13 VanDerWaalsContact O-N 3.09Å
12	A	45	Very low	56.8	Low	93 Å²	93	115.7 Å²	115.7	77%	0.769	65%	0.653	S	S	*	*			trans	-59.4	115	175.6	0	0	0	0	0	108.9	A10 Y14	A10-A12 VanDerWaalsContact C-N 3.3Å; A10-A12 PolarHBondContact O-N 2.61Å; A12-Y14 PolarHBondContact O-N 3.31Å; A12-Y14 VanDerWaalsContact O-N 3.12Å
13	E	58.6	Low	59.5	Low	128 Å²	128	112.6 Å²	112.6	60%	0.598	63%	0.625	S	S	*	*			trans	-53.8	123.2	-179.8	-72.8	-160.6	116.8	0	0	109.8	A11 I15 K50	A11-E13 PolarHBondContact O-N 3.27Å; A11-E13 VanDerWaalsContact O-N 3.09Å; E13-I15 PolarHBondContact O-N 3.42Å; E13-K50 IonicContact OE1-NZ 3.14Å; E13-K50 PolarHBondContact OE1-NZ 3.37Å; E13-K50 WeakPolarHBondContact OE2-CE 3.14Å; E13-K50 IonicContact OE2-NZ 2.63Å; E13-K50 PolarHBondContact OE2-NZ 3.04Å
14	Y	68.9	Low	62.2	Low	197 Å²	197	111.5 Å²	111.5	77%	0.773	61%	0.608	S	S	*	*			trans	-65	100.4	174.8	175.6	-99.9	0	0	0	109.4	A12 P16	A12-Y14 PolarHBondContact O-N 3.31Å; A12-Y14 VanDerWaalsContact O-N 3.12Å; Y14-P16 HydrophobicContact CE1-CG 4.37Å; Y14-P16 WeakPolarHBondContact O-CD 3.49Å
15	I	72.6	Confident	64.8	Low	81 Å²	81	106.5 Å²	106.5	42%	0.415	58%	0.583	S	S	.	*			trans	-85.7	115.7	172.7	-59.7	172.6	0	0	0	107.7	E13 V19 K20	E13-I15 PolarHBondContact O-N 3.42Å; I15-V19 HydrophobicContact CG2-CB 3.93Å; I15-V19 HydrophobicContact CG2-CG1 3.82Å; I15-K20 HydrophobicContact CG2-CG 3.85Å; I15-K20 WeakPolarHBondContact O-CE 3.27Å
16	P	79.1	Confident	67.3	Low	30 Å²	30	103.9 Å²	103.9	20%	0.195	55%	0.553	C	S	.	*			trans	-56.2	142.1	-179.6	-25.1	33.9	0	0	0	112.3	Y14 K18 V19 K20	Y14-P16 HydrophobicContact CE1-CG 4.37Å; Y14-P16 WeakPolarHBondContact O-CD 3.49Å; P16-K18 PolarHBondContact O-N 2.89Å; P16-K18 VanDerWaalsContact O-N 3.12Å; P16-V19 HydrophobicContact CB-CG2 4.15Å; P16-V19 HydrophobicContact CG-CG2 4.22Å; P16-V19 WeakPolarHBondContact O-CA 3.5Å; P16-V19 WeakPolarHBondContact O-CB 3.35Å; P16-V19 PolarHBondContact O-N 2.7Å; P16-K20 PolarHBondContact O-N 3.02Å
17	E	80.9	Confident	70	Confident	123 Å²	123	104.9 Å²	104.9	58%	0.575	55%	0.548	S	S	*	.	H	α-helix	trans	-57.6	-32.3	-178.8	-160.5	-161	144.3	0	0	112.8	V19 K20 K21	E17-V19 VanDerWaalsContact C-N 3.32Å; E17-V19 PolarHBondContact O-N 3.37Å; E17-K20 PolarHBondContact O-N 2.95Å; E17-K21 WeakPolarHBondContact O-CG 3.46Å; E17-K21 PolarHBondContact O-N 3.09Å; E17-K21 WeakPolarHBondContact OE1-CE 3.42Å; E17-K21 IonicContact OE1-NZ 3.97Å; E17-K21 PolarHBondContact OE1-NZ 3.12Å
18	K	82.6	Confident	72.7	Confident	163 Å²	163	106.7 Å²	106.7	71%	0.709	54%	0.538	S	S	*	.	H	α-helix	trans	-61.9	-36.9	173.4	-65.6	-178.5	-179.8	177.4	0	112.7	P16 A22 I38	P16-K18 PolarHBondContact O-N 2.89Å; P16-K18 VanDerWaalsContact O-N 3.12Å; K18-A22 WeakPolarHBondContact O-CB 3.47Å; K18-A22 PolarHBondContact O-N 2.92Å; K18-I38 HydrophobicContact CB-CG2 4.47Å
19	V	84.4	Confident	75.3	Confident	19 Å²	19	100.2 Å²	100.2	12%	0.115	51%	0.51	C	S	.	.	H	α-helix	trans	-69.3	-45.3	175.3	176.3	0	0	0	0	109.7	I15 P16 E17 K21 A22 E23 L39 E42	I15-V19 HydrophobicContact CG2-CB 3.93Å; I15-V19 HydrophobicContact CG2-CG1 3.82Å; P16-V19 HydrophobicContact CB-CG2 4.15Å; P16-V19 HydrophobicContact CG-CG2 4.22Å; P16-V19 WeakPolarHBondContact O-CA 3.5Å; P16-V19 WeakPolarHBondContact O-CB 3.35Å; P16-V19 PolarHBondContact O-N 2.7Å; E17-V19 VanDerWaalsContact C-N 3.32Å; E17-V19 PolarHBondContact O-N 3.37Å; V19-K21 VanDerWaalsContact C-N 3.31Å; V19-K21 PolarHBondContact O-N 3.04Å; V19-A22 WeakPolarHBondContact O-CB 3.46Å; V19-A22 PolarHBondContact O-N 2.78Å; V19-A22 VanDerWaalsContact O-N 3.08Å; V19-E23 HydrophobicContact CG1-CG 4.28Å; V19-E23 WeakPolarHBondContact O-CG 3.49Å; V19-E23 PolarHBondContact O-N 3.29Å; V19-L39 HydrophobicContact CG1-CD2 3.83Å; V19-E42 HydrophobicContact CG2-CB 4.4Å; V19-E42 HydrophobicContact CG2-CG 3.94Å
20	K	87.1	Confident	78	Confident	127 Å²	127	94.6 Å²	94.6	55%	0.552	49%	0.489	S	S	*	.	H	α-helix	trans	-58.4	-41.7	176.2	-60.9	-174.4	-178.5	-179.2	0	112.4	I15 P16 E17 K24	I15-K20 HydrophobicContact CG2-CG 3.85Å; I15-K20 WeakPolarHBondContact O-CE 3.27Å; P16-K20 PolarHBondContact O-N 3.02Å; E17-K20 PolarHBondContact O-N 2.95Å; K20-K24 PolarHBondContact O-N 3Å; K20-K24 VanDerWaalsContact O-N 3.1Å
21	K	88.3	Confident	80.6	Confident	126 Å²	126	92.6 Å²	92.6	55%	0.548	46%	0.461	S	S	.	.	H	α-helix	trans	-66.4	-35.6	174.7	-75.8	171.9	170.2	168.2	0	112.8	E17 V19 K25	E17-K21 WeakPolarHBondContact O-CG 3.46Å; E17-K21 PolarHBondContact O-N 3.09Å; E17-K21 WeakPolarHBondContact OE1-CE 3.42Å; E17-K21 IonicContact OE1-NZ 3.97Å; E17-K21 PolarHBondContact OE1-NZ 3.12Å; V19-K21 VanDerWaalsContact C-N 3.31Å; V19-K21 PolarHBondContact O-N 3.04Å; K21-K25 WeakPolarHBondContact O-CG 3.47Å; K21-K25 PolarHBondContact O-N 3.26Å
22	A	88.2	Confident	83.3	Confident	1 Å²	1	88.9 Å²	88.9	1%	0.008	43%	0.427	C	S	.	.	H	α-helix	trans	-69.8	-44.8	174.6	0	0	0	0	0	112.2	K18 V19 K24 K25 L26 A35 I38 L39	K18-A22 WeakPolarHBondContact O-CB 3.47Å; K18-A22 PolarHBondContact O-N 2.92Å; V19-A22 WeakPolarHBondContact O-CB 3.46Å; V19-A22 PolarHBondContact O-N 2.78Å; V19-A22 VanDerWaalsContact O-N 3.08Å; A22-K24 PolarHBondContact O-N 3.11Å; A22-K25 WeakPolarHBondContact O-CB 3.31Å; A22-K25 PolarHBondContact O-N 3.12Å; A22-K25 VanDerWaalsContact O-N 3.16Å; A22-L26 WeakPolarHBondContact O-CG 3.39Å; A22-L26 PolarHBondContact O-N 2.96Å; A22-L26 VanDerWaalsContact O-N 3.1Å; A22-A35 HydrophobicContact CB-CB 4.17Å; A22-I38 HydrophobicContact CB-CB 4.23Å; A22-I38 HydrophobicContact CB-CD1 4.36Å; A22-I38 HydrophobicContact CB-CG2 4.2Å; A22-L39 HydrophobicContact CB-CD2 4.29Å; A22-L39 HydrophobicContact CB-CG 4.48Å
23	E	90.3	Very high	85.5	Confident	53 Å²	53	88 Å²	88	25%	0.248	41%	0.409	C	S	.	.	H	α-helix	trans	-60.2	-43.4	176.4	-64.8	-72.8	-177.3	0	0	111.3	V19 K25 L26 E27 R57	V19-E23 HydrophobicContact CG1-CG 4.28Å; V19-E23 WeakPolarHBondContact O-CG 3.49Å; V19-E23 PolarHBondContact O-N 3.29Å; E23-K25 VanDerWaalsContact C-N 3.32Å; E23-K25 PolarHBondContact O-N 3.46Å; E23-L26 WeakPolarHBondContact O-CA 3.47Å; E23-L26 WeakPolarHBondContact O-CB 3.44Å; E23-L26 PolarHBondContact O-N 3.18Å; E23-E27 PolarHBondContact O-N 2.88Å; E23-R57 IonicContact OE1-CZ 2.73Å; E23-R57 IonicContact OE1-NH1 3.27Å; E23-R57 PolarHBondContact OE1-NH1 2.9Å; E23-R57 IonicContact OE1-NH2 3.55Å; E23-R57 IonicContact OE2-CZ 3.79Å; E23-R57 IonicContact OE2-NH1 3.45Å; E23-R57 PolarHBondContact OE2-NH1 3.32Å; E23-R57 IonicContact OE2-NH2 3.96Å; E23-R57 PolarHBondContact OE2-NH2 3.28Å
24	K	91.4	Very high	87	Confident	123 Å²	123	87.1 Å²	87.1	54%	0.535	41%	0.408	S	S	.	.	H	α-helix	trans	-59.4	-39.9	174.4	-174.6	176.7	177.8	-175.8	0	112.8	K20 A22 L26 E27 E28	K20-K24 PolarHBondContact O-N 3Å; K20-K24 VanDerWaalsContact O-N 3.1Å; A22-K24 PolarHBondContact O-N 3.11Å; K24-L26 PolarHBondContact O-N 3.32Å; K24-E27 WeakPolarHBondContact O-CB 3.36Å; K24-E27 PolarHBondContact O-N 2.92Å; K24-E28 WeakPolarHBondContact CE-OE1 3.49Å; K24-E28 PolarHBondContact O-N 3.47Å
25	K	91.3	Very high	88.2	Confident	89 Å²	89	77.8 Å²	77.8	39%	0.387	37%	0.372	S	S	.	.	H	α-helix	trans	-62.7	-31.4	173.8	-77.8	167.5	126.8	-97.5	0	112.4	K21 A22 E23 E28 N29 D32 A35	K21-K25 WeakPolarHBondContact O-CG 3.47Å; K21-K25 PolarHBondContact O-N 3.26Å; A22-K25 WeakPolarHBondContact O-CB 3.31Å; A22-K25 PolarHBondContact O-N 3.12Å; A22-K25 VanDerWaalsContact O-N 3.16Å; E23-K25 VanDerWaalsContact C-N 3.32Å; E23-K25 PolarHBondContact O-N 3.46Å; K25-E28 PolarHBondContact O-N 2.85Å; K25-N29 PolarHBondContact O-N 3.14Å; K25-D32 IonicContact NZ-OD2 2.92Å; K25-D32 PolarHBondContact NZ-OD2 3.28Å; K25-A35 HydrophobicContact CB-CB 3.99Å
26	L	92.4	Very high	89.2	Confident	15 Å²	15	74.4 Å²	74.4	8%	0.079	35%	0.354	C	S	.	.	H	α-helix	trans	-77	-22.4	175.8	-64.2	177.6	0	0	0	113.7	A22 E23 K24 N29 P30 D32 A35 W36 L39	A22-L26 WeakPolarHBondContact O-CG 3.39Å; A22-L26 PolarHBondContact O-N 2.96Å; A22-L26 VanDerWaalsContact O-N 3.1Å; E23-L26 WeakPolarHBondContact O-CA 3.47Å; E23-L26 WeakPolarHBondContact O-CB 3.44Å; E23-L26 PolarHBondContact O-N 3.18Å; K24-L26 PolarHBondContact O-N 3.32Å; L26-N29 CarbonylContact O-C 3.5Å; L26-P30 WeakPolarHBondContact O-CA 2.81Å; L26-D32 HydrophobicContact CD2-CB 4.27Å; L26-A35 HydrophobicContact CD2-CB 3.83Å; L26-A35 HydrophobicContact CG-CB 3.9Å; L26-W36 HydrophobicContact CD1-CD2 4.19Å; L26-W36 HydrophobicContact CD1-CH2 4.46Å; L26-W36 HydrophobicContact CD1-CZ2 4.07Å; L26-W36 HydrophobicContact CD2-CD2 4.41Å; L26-W36 HydrophobicContact CD2-CG 4.24Å; L26-W36 VanDerWaalsContact CD2-NE1 3.33Å; L26-L39 HydrophobicContact CD1-CD1 3.59Å
27	E	90.8	Very high	89.9	Confident	155 Å²	155	74.5 Å²	74.5	72%	0.724	36%	0.355	S	S	*	.	H	α-helix	trans	-67.7	-39.3	168.5	-65	170.1	174.6	0	0	111.1	E23 K24	E23-E27 PolarHBondContact O-N 2.88Å; K24-E27 WeakPolarHBondContact O-CB 3.36Å; K24-E27 PolarHBondContact O-N 2.92Å
28	E	89.5	Confident	90.5	Very high	145 Å²	145	71.4 Å²	71.4	68%	0.678	34%	0.342	S	S	*	.	H	α-helix	trans	-78.6	-43.1	177.4	-67	171.6	-164.2	0	0	112.3	K24 K25	K24-E28 WeakPolarHBondContact CE-OE1 3.49Å; K24-E28 PolarHBondContact O-N 3.47Å; K25-E28 PolarHBondContact O-N 2.85Å
29	N	90.2	Very high	90.9	Very high	58 Å²	58	64 Å²	64	31%	0.31	31%	0.31	S	S	.	.			trans	-138	99.3	176.9	178.5	4.9	0	0	0	111.3	K25 L26 Y31 D32	K25-N29 PolarHBondContact O-N 3.14Å; L26-N29 CarbonylContact O-C 3.5Å; N29-Y31 PolarHBondContact O-N 3.14Å; N29-Y31 PolarHBondContact OD1-N 3.02Å; N29-D32 HydrophobicContact CB-CB 4.29Å; N29-D32 PolarHBondContact O-N 2.99Å
30	P	92.3	Very high	91.3	Very high	61 Å²	61	64 Å²	64	40%	0.396	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-16.3	179.5	-28	36	0	0	0	115.6	L26 W36	L26-P30 WeakPolarHBondContact O-CA 2.81Å; P30-W36 PolarHBondContact O-NE1 2.76Å
31	Y	91.9	Very high	91.5	Very high	55 Å²	55	65.1 Å²	65.1	22%	0.216	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	13.3	-179.3	-61.6	-88.6	0	0	0	113.4	N29 L33 Q61 F62 V238 P239 H290	N29-Y31 PolarHBondContact O-N 3.14Å; N29-Y31 PolarHBondContact OD1-N 3.02Å; Y31-L33 PolarHBondContact O-N 3.48Å; Y31-Q61 HydrophobicContact CE1-CG 4.45Å; Y31-F62 AromaticContact CD1-CE1 3.76Å; Y31-F62 HydrophobicContact CD1-CE1 3.76Å; Y31-F62 HydrophobicContact CD1-CZ 4.12Å; Y31-F62 HydrophobicContact CE1-CE1 4.49Å; Y31-V238 HydrophobicContact CG-CG1 4.35Å; Y31-P239 HydrophobicContact CD2-CG 4.03Å; Y31-P239 HydrophobicContact CE1-CG 4.35Å; Y31-P239 HydrophobicContact CE2-CG 3.61Å; Y31-H290 AromaticContact CE1-NE2 3.6Å; Y31-H290 AromaticContact CZ-NE2 3.92Å; Y31-H290 PolarHBondContact OH-CE1 2.9Å
32	D	92.9	Very high	91.6	Very high	25 Å²	25	61.7 Å²	61.7	13%	0.134	30%	0.296	C	S	.	.			trans	-61.9	104.1	175.4	-179.9	-6.4	0	0	0	111.2	K25 L26 N29 D34 A35 W36	K25-D32 IonicContact NZ-OD2 2.92Å; K25-D32 PolarHBondContact NZ-OD2 3.28Å; L26-D32 HydrophobicContact CD2-CB 4.27Å; N29-D32 HydrophobicContact CB-CB 4.29Å; N29-D32 PolarHBondContact O-N 2.99Å; D32-D34 VanDerWaalsContact C-N 3.3Å; D32-D34 PolarHBondContact O-N 3.48Å; D32-D34 WeakPolarHBondContact OD1-CB 3.43Å; D32-D34 PolarHBondContact OD1-N 3.43Å; D32-A35 HydrophobicContact CB-CB 3.98Å; D32-A35 PolarHBondContact O-N 3.19Å; D32-A35 PolarHBondContact OD1-N 3.26Å; D32-W36 PolarHBondContact O-N 3.18Å
33	L	90.9	Very high	91.6	Very high	74 Å²	74	61.7 Å²	61.7	39%	0.387	30%	0.296	S	S	.	.	H	α-helix	trans	-65.6	-29.6	-178.1	-58.3	-173.4	0	0	0	112.9	Y31 S37 F62 P236 V238	Y31-L33 PolarHBondContact O-N 3.48Å; L33-S37 WeakPolarHBondContact O-CB 3.5Å; L33-S37 PolarHBondContact O-N 3.37Å; L33-F62 HydrophobicContact CD2-CE1 4.07Å; L33-F62 HydrophobicContact CD2-CZ 3.75Å; L33-P236 HydrophobicContact CD1-CG 4.28Å; L33-P236 HydrophobicContact CD2-CB 4.03Å; L33-P236 HydrophobicContact CD2-CG 3.9Å; L33-V238 HydrophobicContact CD2-CG2 4.33Å
34	D	91.7	Very high	91.5	Very high	110 Å²	110	64.9 Å²	64.9	59%	0.588	31%	0.311	S	S	*	.	H	α-helix	trans	-69.3	-44.8	176.8	-79.3	-27.3	0	0	0	110.2	D32 S37 I38	D32-D34 VanDerWaalsContact C-N 3.3Å; D32-D34 PolarHBondContact O-N 3.48Å; D32-D34 WeakPolarHBondContact OD1-CB 3.43Å; D32-D34 PolarHBondContact OD1-N 3.43Å; D34-S37 WeakPolarHBondContact O-CB 3.3Å; D34-S37 PolarHBondContact O-N 3.28Å; D34-S37 PolarHBondContact O-OG 2.76Å; D34-I38 WeakPolarHBondContact O-CG1 3.24Å; D34-I38 PolarHBondContact O-N 3.04Å
35	A	92.8	Very high	91.4	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.008	32%	0.319	C	S	.	.	H	α-helix	trans	-60.2	-48	175	0	0	0	0	0	111.3	A22 K25 L26 D32 S37 I38 L39	A22-A35 HydrophobicContact CB-CB 4.17Å; K25-A35 HydrophobicContact CB-CB 3.99Å; L26-A35 HydrophobicContact CD2-CB 3.83Å; L26-A35 HydrophobicContact CG-CB 3.9Å; D32-A35 HydrophobicContact CB-CB 3.98Å; D32-A35 PolarHBondContact O-N 3.19Å; D32-A35 PolarHBondContact OD1-N 3.26Å; A35-S37 VanDerWaalsContact C-N 3.29Å; A35-S37 PolarHBondContact O-N 2.83Å; A35-I38 WeakPolarHBondContact O-CB 3.4Å; A35-I38 PolarHBondContact O-N 2.99Å; A35-I38 VanDerWaalsContact O-N 3.13Å; A35-L39 PolarHBondContact O-N 2.89Å
36	W	94.8	Very high	91.2	Very high	10 Å²	10	63.1 Å²	63.1	4%	0.038	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-36.3	173.7	-77.7	111.7	0	0	0	112.8	L26 P30 D32 I38 L39 I40 R57 L58 Q61 F62	L26-W36 HydrophobicContact CD1-CD2 4.19Å; L26-W36 HydrophobicContact CD1-CH2 4.46Å; L26-W36 HydrophobicContact CD1-CZ2 4.07Å; L26-W36 HydrophobicContact CD2-CD2 4.41Å; L26-W36 HydrophobicContact CD2-CG 4.24Å; L26-W36 VanDerWaalsContact CD2-NE1 3.33Å; P30-W36 PolarHBondContact O-NE1 2.76Å; D32-W36 PolarHBondContact O-N 3.18Å; W36-I38 VanDerWaalsContact C-N 3.26Å; W36-I38 PolarHBondContact O-N 2.7Å; W36-L39 HydrophobicContact CE3-CD1 3.96Å; W36-L39 HydrophobicContact CZ3-CD1 4.05Å; W36-L39 PolarHBondContact O-N 2.68Å; W36-I40 VanDerWaalsContact O-CG1 3.26Å; W36-I40 WeakPolarHBondContact O-CG1 3.39Å; W36-I40 PolarHBondContact O-N 3.08Å; W36-R57 HydrophobicContact CH2-CB 3.99Å; W36-R57 HydrophobicContact CZ3-CB 4.34Å; W36-L58 HydrophobicContact CB-CD1 4.37Å; W36-L58 HydrophobicContact CD2-CD1 3.86Å; W36-L58 HydrophobicContact CE3-CB 4.23Å; W36-L58 HydrophobicContact CE3-CD1 3.49Å; W36-L58 VanDerWaalsContact CE3-CD1 3.49Å; W36-L58 HydrophobicContact CE3-CG 4.47Å; W36-L58 HydrophobicContact CG-CD1 4.26Å; W36-L58 HydrophobicContact CZ3-CB 3.95Å; W36-L58 HydrophobicContact CZ3-CD1 4.05Å; W36-Q61 HydrophobicContact CH2-CB 4.48Å; W36-Q61 HydrophobicContact CZ2-CB 3.97Å; W36-Q61 HydrophobicContact CZ2-CG 3.96Å; W36-F62 AromaticContact CD1-CE2 3.55Å; W36-F62 AromaticContact CD1-CZ 3.89Å; W36-F62 HydrophobicContact CD2-CE2 4.17Å; W36-F62 AromaticContact CE2-CE2 3.97Å; W36-F62 AromaticContact CG-CE2 3.93Å; W36-F62 HydrophobicContact CG-CE2 3.93Å; W36-F62 AromaticContact NE1-CE2 3.57Å
37	S	93.1	Very high	91.1	Very high	32 Å²	32	67.2 Å²	67.2	22%	0.224	34%	0.338	C	S	.	.	H	α-helix	trans	-64.9	-28.2	176.8	86.9	0	0	0	0	113.5	L33 D34 A35 R41	L33-S37 WeakPolarHBondContact O-CB 3.5Å; L33-S37 PolarHBondContact O-N 3.37Å; D34-S37 WeakPolarHBondContact O-CB 3.3Å; D34-S37 PolarHBondContact O-N 3.28Å; D34-S37 PolarHBondContact O-OG 2.76Å; A35-S37 VanDerWaalsContact C-N 3.29Å; A35-S37 PolarHBondContact O-N 2.83Å; S37-R41 WeakPolarHBondContact O-CB 3.39Å; S37-R41 WeakPolarHBondContact O-CG 3.21Å; S37-R41 PolarHBondContact O-N 3.2Å; S37-R41 PolarHBondContact O-NE 3.46Å; S37-R41 PolarHBondContact OG-NH2 3.42Å
38	I	92.9	Very high	91.2	Very high	58 Å²	58	61.3 Å²	61.3	30%	0.297	31%	0.311	S	S	.	.	H	α-helix	trans	-73.8	-46.6	174.6	-65.7	165.3	0	0	0	109.1	K18 A22 D34 A35 W36 I40 R41 E42	K18-I38 HydrophobicContact CB-CG2 4.47Å; A22-I38 HydrophobicContact CB-CB 4.23Å; A22-I38 HydrophobicContact CB-CD1 4.36Å; A22-I38 HydrophobicContact CB-CG2 4.2Å; D34-I38 WeakPolarHBondContact O-CG1 3.24Å; D34-I38 PolarHBondContact O-N 3.04Å; A35-I38 WeakPolarHBondContact O-CB 3.4Å; A35-I38 PolarHBondContact O-N 2.99Å; A35-I38 VanDerWaalsContact O-N 3.13Å; W36-I38 VanDerWaalsContact C-N 3.26Å; W36-I38 PolarHBondContact O-N 2.7Å; I38-I40 VanDerWaalsContact C-N 3.34Å; I38-I40 PolarHBondContact O-N 3.12Å; I38-R41 PolarHBondContact O-N 3.38Å; I38-E42 PolarHBondContact O-N 2.83Å
39	L	91.8	Very high	91.2	Very high	6 Å²	6	59 Å²	59	3%	0.031	30%	0.303	C	S	.	.	H	α-helix	trans	-61.8	-39.3	177.5	-62.4	-174.5	0	0	0	112.6	V19 A22 L26 A35 W36 E42 A43 T54	V19-L39 HydrophobicContact CG1-CD2 3.83Å; A22-L39 HydrophobicContact CB-CD2 4.29Å; A22-L39 HydrophobicContact CB-CG 4.48Å; L26-L39 HydrophobicContact CD1-CD1 3.59Å; A35-L39 PolarHBondContact O-N 2.89Å; W36-L39 HydrophobicContact CE3-CD1 3.96Å; W36-L39 HydrophobicContact CZ3-CD1 4.05Å; W36-L39 PolarHBondContact O-N 2.68Å; L39-E42 PolarHBondContact O-N 3.31Å; L39-A43 WeakPolarHBondContact O-CB 3.5Å; L39-A43 PolarHBondContact O-N 2.89Å; L39-T54 HydrophobicContact CB-CG2 3.89Å
40	I	92.4	Very high	91.2	Very high	21 Å²	21	59.4 Å²	59.4	11%	0.108	30%	0.302	C	S	.	.	H	α-helix	trans	-64.7	-44.9	175.9	-68.8	163.1	0	0	0	111.3	W36 I38 E42 A43 Q44 L58 F68 L71	W36-I40 VanDerWaalsContact O-CG1 3.26Å; W36-I40 WeakPolarHBondContact O-CG1 3.39Å; W36-I40 PolarHBondContact O-N 3.08Å; I38-I40 VanDerWaalsContact C-N 3.34Å; I38-I40 PolarHBondContact O-N 3.12Å; I40-E42 VanDerWaalsContact C-N 3.33Å; I40-E42 PolarHBondContact O-N 2.72Å; I40-A43 PolarHBondContact O-N 2.7Å; I40-Q44 WeakPolarHBondContact O-CG 3.46Å; I40-Q44 PolarHBondContact O-N 2.99Å; I40-L58 HydrophobicContact CD1-CD1 4.01Å; I40-L58 HydrophobicContact CD1-CD2 3.77Å; I40-L58 HydrophobicContact CG1-CD1 4.37Å; I40-L58 HydrophobicContact CG1-CD2 3.75Å; I40-F68 HydrophobicContact CD1-CD1 4.13Å; I40-F68 HydrophobicContact CD1-CE1 3.72Å; I40-F68 HydrophobicContact CD1-CZ 4.28Å; I40-L71 HydrophobicContact CG2-CD1 4.27Å
41	R	91.9	Very high	91.2	Very high	149 Å²	149	56.7 Å²	56.7	56%	0.562	28%	0.284	S	S	*	.	H	α-helix	trans	-62.7	-40.4	178	-81.4	180	-89.7	-168.6	-7.8	111.9	S37 I38 N45	S37-R41 WeakPolarHBondContact O-CB 3.39Å; S37-R41 WeakPolarHBondContact O-CG 3.21Å; S37-R41 PolarHBondContact O-N 3.2Å; S37-R41 PolarHBondContact O-NE 3.46Å; S37-R41 PolarHBondContact OG-NH2 3.42Å; I38-R41 PolarHBondContact O-N 3.38Å; R41-N45 PolarHBondContact O-ND2 3.1Å
42	E	89.3	Confident	91.2	Very high	54 Å²	54	56.4 Å²	56.4	25%	0.252	28%	0.283	S	S	.	.	H	α-helix	trans	-68.7	-41	175.8	-177.1	59	-159	0	0	112	V19 I38 L39 I40 Q44 N45 Q46	V19-E42 HydrophobicContact CG2-CB 4.4Å; V19-E42 HydrophobicContact CG2-CG 3.94Å; I38-E42 PolarHBondContact O-N 2.83Å; L39-E42 PolarHBondContact O-N 3.31Å; I40-E42 VanDerWaalsContact C-N 3.33Å; I40-E42 PolarHBondContact O-N 2.72Å; E42-Q44 VanDerWaalsContact C-N 3.26Å; E42-Q44 PolarHBondContact O-N 3.48Å; E42-N45 PolarHBondContact O-N 2.99Å; E42-Q46 WeakPolarHBondContact O-CG 3.33Å; E42-Q46 PolarHBondContact O-N 2.72Å; E42-Q46 PolarHBondContact OE1-NE2 3.08Å
43	A	89.6	Confident	91.2	Very high	2 Å²	2	62.7 Å²	62.7	2%	0.017	31%	0.309	C	S	.	.	H	α-helix	trans	-59.4	-34.8	177.3	0	0	0	0	0	112.9	L39 I40 N45 Q46 A51 T54	L39-A43 WeakPolarHBondContact O-CB 3.5Å; L39-A43 PolarHBondContact O-N 2.89Å; I40-A43 PolarHBondContact O-N 2.7Å; A43-N45 VanDerWaalsContact C-N 3.26Å; A43-N45 PolarHBondContact O-N 3.35Å; A43-Q46 PolarHBondContact O-N 2.85Å; A43-A51 HydrophobicContact CB-CB 4.16Å; A43-A51 VanDerWaalsContact O-CB 3.27Å; A43-A51 WeakPolarHBondContact O-CB 3.45Å; A43-T54 HydrophobicContact CB-CG2 4.12Å
44	Q	87.8	Confident	91.3	Very high	120 Å²	120	60.4 Å²	60.4	56%	0.561	30%	0.298	S	S	*	.	H	α-helix	trans	-67.8	-22.7	176.3	-71.9	179.3	-20.7	0	0	114	I40 E42	I40-Q44 WeakPolarHBondContact O-CG 3.46Å; I40-Q44 PolarHBondContact O-N 2.99Å; E42-Q44 VanDerWaalsContact C-N 3.26Å; E42-Q44 PolarHBondContact O-N 3.48Å
45	N	88.2	Confident	91.4	Very high	130 Å²	130	55.4 Å²	55.4	70%	0.695	27%	0.271	S	S	*	.	H	α-helix	trans	-88.9	-9.2	177.5	-62.4	-30.5	0	0	0	112.9	R41 E42 A43	R41-N45 PolarHBondContact O-ND2 3.1Å; E42-N45 PolarHBondContact O-N 2.99Å; A43-N45 VanDerWaalsContact C-N 3.26Å; A43-N45 PolarHBondContact O-N 3.35Å
46	Q	88.4	Confident	91.6	Very high	45 Å²	45	58 Å²	58	21%	0.21	28%	0.283	C	S	.	.	S	Bend	trans	-103.8	154.1	-175.2	-68.3	-179.1	6.6	0	0	112	E42 A43 K50	E42-Q46 WeakPolarHBondContact O-CG 3.33Å; E42-Q46 PolarHBondContact O-N 2.72Å; E42-Q46 PolarHBondContact OE1-NE2 3.08Å; A43-Q46 PolarHBondContact O-N 2.85Å; Q46-K50 VanDerWaalsContact OE1-CD 3.24Å; Q46-K50 VanDerWaalsContact OE1-CG 3.28Å
47	P	90.6	Very high	91.6	Very high	101 Å²	101	62.7 Å²	62.7	66%	0.656	30%	0.301	S	S	*	.			trans	-57.2	147.7	171.3	-24.4	34.7	0	0	0	112.1	D49 K50 A51	P47-D49 PolarHBondContact O-N 2.91Å; P47-K50 PolarHBondContact O-N 3.08Å; P47-A51 PolarHBondContact O-N 3.26Å
48	I	91.8	Very high	91.6	Very high	31 Å²	31	61.2 Å²	61.2	16%	0.159	29%	0.291	C	S	.	.	H	α-helix	trans	-53.9	-34.3	-171.7	-171.7	57.6	0	0	0	113.5	K50 A51 R52 A75 E76 A79	I48-K50 VanDerWaalsContact C-N 3.32Å; I48-K50 PolarHBondContact O-N 2.86Å; I48-A51 PolarHBondContact O-N 3.1Å; I48-R52 WeakPolarHBondContact O-CB 3.41Å; I48-R52 PolarHBondContact O-N 3.1Å; I48-A75 HydrophobicContact CD1-CB 3.8Å; I48-E76 HydrophobicContact CD1-CG 4.11Å; I48-E76 HydrophobicContact CG1-CG 4.38Å; I48-E76 WeakPolarHBondContact CG1-OE2 3.4Å; I48-A79 HydrophobicContact CB-CB 4.09Å; I48-A79 HydrophobicContact CG1-CB 4.06Å; I48-A79 HydrophobicContact CG2-CB 3.87Å
49	D	89.9	Confident	91.7	Very high	97 Å²	97	58.5 Å²	58.5	52%	0.519	28%	0.277	S	S	.	.	H	α-helix	trans	-71.8	-25.7	-177.4	-59.4	-53.2	0	0	0	113.9	P47 R52	P47-D49 PolarHBondContact O-N 2.91Å; D49-R52 IonicContact OD1-CZ 2.7Å; D49-R52 VanDerWaalsContact OD1-CZ 3.23Å; D49-R52 IonicContact OD1-NH1 3.06Å; D49-R52 PolarHBondContact OD1-NH1 3.23Å; D49-R52 IonicContact OD1-NH2 4Å; D49-R52 PolarHBondContact OD1-NH2 3.14Å
50	K	90	Very high	91.8	Very high	66 Å²	66	62.6 Å²	62.6	29%	0.287	31%	0.306	S	S	.	.	H	α-helix	trans	-85	-47.1	170.1	-167.2	172.3	177.7	163.9	0	110.8	E13 Q46 P47 I48 R52 K53	E13-K50 IonicContact OE1-NZ 3.14Å; E13-K50 PolarHBondContact OE1-NZ 3.37Å; E13-K50 WeakPolarHBondContact OE2-CE 3.14Å; E13-K50 IonicContact OE2-NZ 2.63Å; E13-K50 PolarHBondContact OE2-NZ 3.04Å; Q46-K50 VanDerWaalsContact OE1-CD 3.24Å; Q46-K50 VanDerWaalsContact OE1-CG 3.28Å; P47-K50 PolarHBondContact O-N 3.08Å; I48-K50 VanDerWaalsContact C-N 3.32Å; I48-K50 PolarHBondContact O-N 2.86Å; K50-R52 PolarHBondContact O-N 2.99Å; K50-K53 WeakPolarHBondContact O-CB 3.46Å; K50-K53 PolarHBondContact O-N 3.26Å; K50-K53 VanDerWaalsContact O-N 3.08Å
51	A	91.9	Very high	91.8	Very high	3 Å²	3	64 Å²	64	3%	0.025	31%	0.312	C	S	.	.	H	α-helix	trans	-56.2	-34.3	177.7	0	0	0	0	0	113.1	A43 P47 I48 K53 T54 H55	A43-A51 HydrophobicContact CB-CB 4.16Å; A43-A51 VanDerWaalsContact O-CB 3.27Å; A43-A51 WeakPolarHBondContact O-CB 3.45Å; P47-A51 PolarHBondContact O-N 3.26Å; I48-A51 PolarHBondContact O-N 3.1Å; A51-K53 VanDerWaalsContact C-N 3.28Å; A51-K53 PolarHBondContact O-N 3.19Å; A51-T54 WeakPolarHBondContact O-CB 3.49Å; A51-T54 PolarHBondContact O-N 3.16Å; A51-T54 VanDerWaalsContact O-N 3.08Å; A51-H55 PolarHBondContact O-CD2 3.24Å; A51-H55 VanDerWaalsContact O-CD2 3.26Å; A51-H55 PolarHBondContact O-N 2.9Å
52	R	92.9	Very high	91.9	Very high	50 Å²	50	57 Å²	57	19%	0.189	29%	0.285	C	S	.	.	H	α-helix	trans	-55.1	-38.5	176	-173.5	-178.8	-55.5	111.1	12.9	112.8	I48 D49 K50 T54 H55 E56 F72 E76	I48-R52 WeakPolarHBondContact O-CB 3.41Å; I48-R52 PolarHBondContact O-N 3.1Å; D49-R52 IonicContact OD1-CZ 2.7Å; D49-R52 VanDerWaalsContact OD1-CZ 3.23Å; D49-R52 IonicContact OD1-NH1 3.06Å; D49-R52 PolarHBondContact OD1-NH1 3.23Å; D49-R52 IonicContact OD1-NH2 4Å; D49-R52 PolarHBondContact OD1-NH2 3.14Å; K50-R52 PolarHBondContact O-N 2.99Å; R52-T54 VanDerWaalsContact C-N 3.32Å; R52-T54 PolarHBondContact O-N 3.33Å; R52-H55 PolarHBondContact O-N 3.13Å; R52-E56 HydrophobicContact CG-CG 4.12Å; R52-E56 WeakPolarHBondContact O-CB 3.26Å; R52-E56 VanDerWaalsContact O-CG 3.27Å; R52-E56 WeakPolarHBondContact O-CG 3.48Å; R52-E56 PolarHBondContact O-N 3.21Å; R52-F72 HydrophobicContact CB-CE2 4.5Å; R52-F72 HydrophobicContact CG-CE2 4.01Å; R52-F72 HydrophobicContact CG-CZ 3.91Å; R52-E76 IonicContact CZ-OE1 3.19Å; R52-E76 IonicContact NE-OE1 3.37Å; R52-E76 PolarHBondContact NE-OE1 2.71Å; R52-E76 IonicContact NH2-OE1 3.79Å; R52-E76 PolarHBondContact NH2-OE1 2.85Å; R52-E76 IonicContact NH2-OE2 2.74Å; R52-E76 PolarHBondContact NH2-OE2 3.18Å
53	K	92.8	Very high	92.1	Very high	156 Å²	156	56.3 Å²	56.3	68%	0.678	29%	0.286	S	S	*	.	H	α-helix	trans	-61.9	-42.3	177.3	-64.3	-178.1	-179.7	177.9	0	111.1	K50 A51 R57	K50-K53 WeakPolarHBondContact O-CB 3.46Å; K50-K53 PolarHBondContact O-N 3.26Å; K50-K53 VanDerWaalsContact O-N 3.08Å; A51-K53 VanDerWaalsContact C-N 3.28Å; A51-K53 PolarHBondContact O-N 3.19Å; K53-R57 WeakPolarHBondContact O-CG 3.43Å; K53-R57 PolarHBondContact O-N 3.32Å
54	T	93.7	Very high	92.3	Very high	26 Å²	26	56.8 Å²	56.8	16%	0.16	29%	0.289	C	S	.	.	H	α-helix	trans	-68.6	-44.2	177.1	-49.4	0	0	0	0	111.6	L39 A43 A51 R52 R57 L58	L39-T54 HydrophobicContact CB-CG2 3.89Å; A43-T54 HydrophobicContact CB-CG2 4.12Å; A51-T54 WeakPolarHBondContact O-CB 3.49Å; A51-T54 PolarHBondContact O-N 3.16Å; A51-T54 VanDerWaalsContact O-N 3.08Å; R52-T54 VanDerWaalsContact C-N 3.32Å; R52-T54 PolarHBondContact O-N 3.33Å; T54-R57 PolarHBondContact O-N 3.28Å; T54-L58 WeakPolarHBondContact O-CB 3.48Å; T54-L58 PolarHBondContact O-N 3.35Å
55	H	93.8	Very high	92.6	Very high	5 Å²	5	51.4 Å²	51.4	2%	0.023	27%	0.265	C	S	.	.	H	α-helix	trans	-65.5	-40.4	177.5	-76	-63.9	0	0	0	113.1	A51 R52 L58 V59 F72	A51-H55 PolarHBondContact O-CD2 3.24Å; A51-H55 VanDerWaalsContact O-CD2 3.26Å; A51-H55 PolarHBondContact O-N 2.9Å; R52-H55 PolarHBondContact O-N 3.13Å; H55-L58 WeakPolarHBondContact O-CB 3.29Å; H55-L58 PolarHBondContact O-N 3.17Å; H55-V59 WeakPolarHBondContact O-CG2 3.44Å; H55-V59 PolarHBondContact O-N 2.82Å; H55-F72 HydrophobicContact CB-CB 3.96Å; H55-F72 HydrophobicContact CB-CD1 3.98Å; H55-F72 HydrophobicContact CB-CD2 3.52Å; H55-F72 HydrophobicContact CB-CE1 4.35Å; H55-F72 HydrophobicContact CB-CE2 3.97Å; H55-F72 HydrophobicContact CB-CG 3.55Å; H55-F72 HydrophobicContact CB-CZ 4.36Å; H55-F72 AromaticContact CG-CD2 3.84Å; H55-F72 AromaticContact CG-CG 3.99Å
56	E	95.3	Very high	92.8	Very high	55 Å²	55	45.3 Å²	45.3	26%	0.257	23%	0.233	S	C	.	.	H	α-helix	trans	-63.8	-40.8	175.9	-73.8	-70.9	179.9	0	0	111.6	R52 S60 F72 R91	R52-E56 HydrophobicContact CG-CG 4.12Å; R52-E56 WeakPolarHBondContact O-CB 3.26Å; R52-E56 VanDerWaalsContact O-CG 3.27Å; R52-E56 WeakPolarHBondContact O-CG 3.48Å; R52-E56 PolarHBondContact O-N 3.21Å; E56-S60 VanDerWaalsContact O-CB 3.23Å; E56-S60 WeakPolarHBondContact O-CB 3.47Å; E56-S60 PolarHBondContact O-N 3.28Å; E56-S60 PolarHBondContact O-OG 2.98Å; E56-F72 HydrophobicContact CG-CE1 4.13Å; E56-F72 HydrophobicContact CG-CZ 4.07Å; E56-F72 WeakPolarHBondContact OE1-CE1 3.39Å; E56-R91 IonicContact OE1-CZ 3.44Å; E56-R91 IonicContact OE1-NH1 2.73Å; E56-R91 PolarHBondContact OE1-NH1 3.35Å; E56-R91 IonicContact OE1-NH2 3.74Å; E56-R91 PolarHBondContact OE1-NH2 2.99Å; E56-R91 IonicContact OE2-CZ 2.91Å; E56-R91 VanDerWaalsContact OE2-CZ 3.24Å; E56-R91 IonicContact OE2-NH1 2.72Å; E56-R91 PolarHBondContact OE2-NH1 3.46Å; E56-R91 IonicContact OE2-NH2 3.69Å; E56-R91 PolarHBondContact OE2-NH2 3.3Å
57	R	94.6	Very high	93.1	Very high	109 Å²	109	49.8 Å²	49.8	41%	0.411	25%	0.247	S	C	.	.	H	α-helix	trans	-60.6	-47.3	171.2	-73.5	176	67.6	-158.1	3.4	111.3	E23 W36 K53 T54 S60 Q61	E23-R57 IonicContact OE1-CZ 2.73Å; E23-R57 IonicContact OE1-NH1 3.27Å; E23-R57 PolarHBondContact OE1-NH1 2.9Å; E23-R57 IonicContact OE1-NH2 3.55Å; E23-R57 IonicContact OE2-CZ 3.79Å; E23-R57 IonicContact OE2-NH1 3.45Å; E23-R57 PolarHBondContact OE2-NH1 3.32Å; E23-R57 IonicContact OE2-NH2 3.96Å; E23-R57 PolarHBondContact OE2-NH2 3.28Å; W36-R57 HydrophobicContact CH2-CB 3.99Å; W36-R57 HydrophobicContact CZ3-CB 4.34Å; K53-R57 WeakPolarHBondContact O-CG 3.43Å; K53-R57 PolarHBondContact O-N 3.32Å; T54-R57 PolarHBondContact O-N 3.28Å; R57-S60 PolarHBondContact O-N 2.95Å; R57-Q61 WeakPolarHBondContact O-CB 3.44Å; R57-Q61 PolarHBondContact O-N 2.73Å
58	L	94.1	Very high	93.3	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-60	-49.5	-179.5	-179.5	73.2	0	0	0	112.7	W36 I40 T54 H55 S60 Q61 F62 F68	W36-L58 HydrophobicContact CB-CD1 4.37Å; W36-L58 HydrophobicContact CD2-CD1 3.86Å; W36-L58 HydrophobicContact CE3-CB 4.23Å; W36-L58 HydrophobicContact CE3-CD1 3.49Å; W36-L58 VanDerWaalsContact CE3-CD1 3.49Å; W36-L58 HydrophobicContact CE3-CG 4.47Å; W36-L58 HydrophobicContact CG-CD1 4.26Å; W36-L58 HydrophobicContact CZ3-CB 3.95Å; W36-L58 HydrophobicContact CZ3-CD1 4.05Å; I40-L58 HydrophobicContact CD1-CD1 4.01Å; I40-L58 HydrophobicContact CD1-CD2 3.77Å; I40-L58 HydrophobicContact CG1-CD1 4.37Å; I40-L58 HydrophobicContact CG1-CD2 3.75Å; T54-L58 WeakPolarHBondContact O-CB 3.48Å; T54-L58 PolarHBondContact O-N 3.35Å; H55-L58 WeakPolarHBondContact O-CB 3.29Å; H55-L58 PolarHBondContact O-N 3.17Å; L58-S60 VanDerWaalsContact C-N 3.3Å; L58-S60 PolarHBondContact O-N 3.19Å; L58-Q61 PolarHBondContact O-N 2.91Å; L58-F62 HydrophobicContact CD1-CD2 3.9Å; L58-F62 HydrophobicContact CD1-CE2 4.22Å; L58-F62 PolarHBondContact O-N 3.36Å; L58-F68 HydrophobicContact CD1-CD2 3.9Å; L58-F68 HydrophobicContact CD1-CE2 3.98Å; L58-F68 HydrophobicContact CD1-CG 4.24Å; L58-F68 HydrophobicContact CD1-CZ 4.38Å; L58-F68 HydrophobicContact CD2-CB 3.79Å; L58-F68 HydrophobicContact CD2-CD1 3.98Å; L58-F68 HydrophobicContact CD2-CD2 4.26Å; L58-F68 HydrophobicContact CD2-CG 3.76Å; L58-F68 HydrophobicContact CG-CB 4.1Å; L58-F68 HydrophobicContact CG-CD2 3.98Å; L58-F68 HydrophobicContact CG-CG 3.99Å
59	V	94.6	Very high	93.5	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.012	21%	0.214	C	C	.	.	H	α-helix	trans	-77.1	-17	-179.3	-55.8	0	0	0	0	113.3	H55 P63 F68 W69 F72	H55-V59 WeakPolarHBondContact O-CG2 3.44Å; H55-V59 PolarHBondContact O-N 2.82Å; V59-P63 VanDerWaalsContact O-CA 3.25Å; V59-P63 WeakPolarHBondContact O-CA 3.5Å; V59-F68 HydrophobicContact CG1-CB 4.47Å; V59-W69 HydrophobicContact CB-CD2 4.03Å; V59-W69 HydrophobicContact CB-CE3 4.14Å; V59-W69 HydrophobicContact CB-CH2 3.86Å; V59-W69 HydrophobicContact CB-CZ2 3.76Å; V59-W69 HydrophobicContact CB-CZ3 4.08Å; V59-W69 HydrophobicContact CG1-CD2 3.98Å; V59-W69 HydrophobicContact CG1-CE3 4.07Å; V59-W69 HydrophobicContact CG1-CG 4.4Å; V59-W69 HydrophobicContact CG1-CZ3 4.43Å; V59-W69 HydrophobicContact CG2-CE3 4.27Å; V59-W69 HydrophobicContact CG2-CH2 3.62Å; V59-W69 HydrophobicContact CG2-CZ2 4.03Å; V59-W69 HydrophobicContact CG2-CZ3 3.78Å; V59-F72 HydrophobicContact CG1-CD1 4.34Å; V59-F72 HydrophobicContact CG2-CD1 4.34Å
60	S	93.5	Very high	93.8	Very high	91 Å²	91	42.8 Å²	42.8	64%	0.636	20%	0.201	S	C	*	.	H	α-helix	trans	-75.9	-36.7	168.3	-60.5	0	0	0	0	111.9	E56 R57 L58	E56-S60 VanDerWaalsContact O-CB 3.23Å; E56-S60 WeakPolarHBondContact O-CB 3.47Å; E56-S60 PolarHBondContact O-N 3.28Å; E56-S60 PolarHBondContact O-OG 2.98Å; R57-S60 PolarHBondContact O-N 2.95Å; L58-S60 VanDerWaalsContact C-N 3.3Å; L58-S60 PolarHBondContact O-N 3.19Å
61	Q	92.9	Very high	94	Very high	51 Å²	51	41.5 Å²	41.5	24%	0.238	20%	0.197	C	C	.	.	H	α-helix	trans	-74	-40.8	175.9	-171.5	64.4	20.3	0	0	112.1	Y31 W36 R57 L58 P63	Y31-Q61 HydrophobicContact CE1-CG 4.45Å; W36-Q61 HydrophobicContact CH2-CB 4.48Å; W36-Q61 HydrophobicContact CZ2-CB 3.97Å; W36-Q61 HydrophobicContact CZ2-CG 3.96Å; R57-Q61 WeakPolarHBondContact O-CB 3.44Å; R57-Q61 PolarHBondContact O-N 2.73Å; L58-Q61 PolarHBondContact O-N 2.91Å; Q61-P63 VanDerWaalsContact O-CD 3.27Å; Q61-P63 WeakPolarHBondContact O-CD 3.34Å
62	F	94.3	Very high	94.2	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	20%	0.196	C	C	.	.			trans	-119.7	65.5	-178	-60.8	-78	0	0	0	111.9	Y31 L33 W36 L58 S64 S65 F68 P236 S237 V238	Y31-F62 AromaticContact CD1-CE1 3.76Å; Y31-F62 HydrophobicContact CD1-CE1 3.76Å; Y31-F62 HydrophobicContact CD1-CZ 4.12Å; Y31-F62 HydrophobicContact CE1-CE1 4.49Å; L33-F62 HydrophobicContact CD2-CE1 4.07Å; L33-F62 HydrophobicContact CD2-CZ 3.75Å; W36-F62 AromaticContact CD1-CE2 3.55Å; W36-F62 AromaticContact CD1-CZ 3.89Å; W36-F62 HydrophobicContact CD2-CE2 4.17Å; W36-F62 AromaticContact CE2-CE2 3.97Å; W36-F62 AromaticContact CG-CE2 3.93Å; W36-F62 HydrophobicContact CG-CE2 3.93Å; W36-F62 AromaticContact NE1-CE2 3.57Å; L58-F62 HydrophobicContact CD1-CD2 3.9Å; L58-F62 HydrophobicContact CD1-CE2 4.22Å; L58-F62 PolarHBondContact O-N 3.36Å; F62-S64 PolarHBondContact O-N 3.49Å; F62-S64 VanDerWaalsContact O-N 3.11Å; F62-S65 PolarHBondContact O-N 3.47Å; F62-S65 VanDerWaalsContact O-N 3.14Å; F62-F68 HydrophobicContact CB-CD2 3.74Å; F62-F68 HydrophobicContact CB-CE2 4.07Å; F62-F68 HydrophobicContact CD1-CE2 4.48Å; F62-F68 HydrophobicContact CD2-CD2 4.01Å; F62-F68 AromaticContact CD2-CE2 3.73Å; F62-F68 HydrophobicContact CD2-CE2 3.73Å; F62-F68 HydrophobicContact CE2-CE2 4.24Å; F62-F68 HydrophobicContact CG-CD2 4.03Å; F62-F68 AromaticContact CG-CE2 3.85Å; F62-F68 HydrophobicContact CG-CE2 3.85Å; F62-P236 HydrophobicContact CD1-CB 3.67Å; F62-P236 HydrophobicContact CE1-CB 3.76Å; F62-P236 HydrophobicContact CG-CB 4.37Å; F62-S237 WeakPolarHBondContact CD1-O 3.43Å; F62-V238 HydrophobicContact CE1-CG2 4.23Å
63	P	93.6	Very high	94.3	Very high	41 Å²	41	39 Å²	39	27%	0.266	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.2	-172.5	29.2	-36.7	0	0	0	113.8	V59 Q61 W69 V96 L336	V59-P63 VanDerWaalsContact O-CA 3.25Å; V59-P63 WeakPolarHBondContact O-CA 3.5Å; Q61-P63 VanDerWaalsContact O-CD 3.27Å; Q61-P63 WeakPolarHBondContact O-CD 3.34Å; P63-W69 PolarHBondContact O-NE1 3.18Å; P63-V96 WeakPolarHBondContact O-CG2 3.41Å; P63-L336 HydrophobicContact CG-CD2 3.56Å
64	S	92.9	Very high	94.4	Very high	11 Å²	11	35.6 Å²	35.6	8%	0.077	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-16	176.6	66.8	0	0	0	0	114.5	F62 G66 V96 S237 L286	F62-S64 PolarHBondContact O-N 3.49Å; F62-S64 VanDerWaalsContact O-N 3.11Å; S64-G66 PolarHBondContact O-N 3.39Å; S64-V96 WeakPolarHBondContact O-CG1 3.09Å; S64-S237 WeakPolarHBondContact OG-CB 3.45Å; S64-L286 WeakPolarHBondContact CB-O 3.36Å; S64-L286 PolarHBondContact OG-O 2.96Å
65	S	94.4	Very high	94.4	Very high	7 Å²	7	35.7 Å²	35.7	5%	0.049	18%	0.177	C	C	.	.			trans	-78	95.3	-172.1	178.8	0	0	0	0	112	F62 R67 F68 W69	F62-S65 PolarHBondContact O-N 3.47Å; F62-S65 VanDerWaalsContact O-N 3.14Å; S65-R67 PolarHBondContact O-N 2.95Å; S65-F68 VanDerWaalsContact CB-CD2 3.45Å; S65-F68 PolarHBondContact O-N 3.21Å; S65-F68 WeakPolarHBondContact OG-CD2 3.4Å; S65-F68 WeakPolarHBondContact OG-CG 3.46Å; S65-F68 PolarHBondContact OG-N 2.73Å; S65-W69 VanDerWaalsContact O-CD1 3.24Å; S65-W69 PolarHBondContact O-N 3.23Å
66	G	93	Very high	94.4	Very high	2 Å²	2	35.6 Å²	35.6	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-56.7	-30.5	175.9	0	0	0	0	0	113.8	S64 K70	S64-G66 PolarHBondContact O-N 3.39Å; G66-K70 VanDerWaalsContact O-CB 3.24Å; G66-K70 WeakPolarHBondContact O-CB 3.33Å; G66-K70 PolarHBondContact O-N 2.89Å
67	R	94.5	Very high	94.3	Very high	139 Å²	139	34.5 Å²	34.5	53%	0.525	17%	0.172	S	C	.	.	H	α-helix	trans	-61.4	-46.4	172	-177.9	-177.6	175.3	103.9	-1.1	112	S65 K70 L71	S65-R67 PolarHBondContact O-N 2.95Å; R67-K70 PolarHBondContact O-N 3.1Å; R67-L71 WeakPolarHBondContact O-CG 3.39Å; R67-L71 PolarHBondContact O-N 2.91Å
68	F	95.1	Very high	94.2	Very high	16 Å²	16	38.2 Å²	38.2	7%	0.07	19%	0.191	C	C	.	.	H	α-helix	trans	-73.2	-37	-179.3	-63	-26.9	0	0	0	112.4	I40 L58 V59 F62 S65 L71 F72 P236	I40-F68 HydrophobicContact CD1-CD1 4.13Å; I40-F68 HydrophobicContact CD1-CE1 3.72Å; I40-F68 HydrophobicContact CD1-CZ 4.28Å; L58-F68 HydrophobicContact CD1-CD2 3.9Å; L58-F68 HydrophobicContact CD1-CE2 3.98Å; L58-F68 HydrophobicContact CD1-CG 4.24Å; L58-F68 HydrophobicContact CD1-CZ 4.38Å; L58-F68 HydrophobicContact CD2-CB 3.79Å; L58-F68 HydrophobicContact CD2-CD1 3.98Å; L58-F68 HydrophobicContact CD2-CD2 4.26Å; L58-F68 HydrophobicContact CD2-CG 3.76Å; L58-F68 HydrophobicContact CG-CB 4.1Å; L58-F68 HydrophobicContact CG-CD2 3.98Å; L58-F68 HydrophobicContact CG-CG 3.99Å; V59-F68 HydrophobicContact CG1-CB 4.47Å; F62-F68 HydrophobicContact CB-CD2 3.74Å; F62-F68 HydrophobicContact CB-CE2 4.07Å; F62-F68 HydrophobicContact CD1-CE2 4.48Å; F62-F68 HydrophobicContact CD2-CD2 4.01Å; F62-F68 AromaticContact CD2-CE2 3.73Å; F62-F68 HydrophobicContact CD2-CE2 3.73Å; F62-F68 HydrophobicContact CE2-CE2 4.24Å; F62-F68 HydrophobicContact CG-CD2 4.03Å; F62-F68 AromaticContact CG-CE2 3.85Å; F62-F68 HydrophobicContact CG-CE2 3.85Å; S65-F68 VanDerWaalsContact CB-CD2 3.45Å; S65-F68 PolarHBondContact O-N 3.21Å; S65-F68 WeakPolarHBondContact OG-CD2 3.4Å; S65-F68 WeakPolarHBondContact OG-CG 3.46Å; S65-F68 PolarHBondContact OG-N 2.73Å; F68-L71 HydrophobicContact CD1-CD1 4.32Å; F68-L71 PolarHBondContact O-N 3.39Å; F68-F72 PolarHBondContact O-N 2.87Å; F68-P236 HydrophobicContact CE2-CB 3.94Å; F68-P236 HydrophobicContact CE2-CG 3.69Å; F68-P236 HydrophobicContact CZ-CB 4.39Å; F68-P236 HydrophobicContact CZ-CG 3.64Å
69	W	96.6	Very high	94.1	Very high	13 Å²	13	40.1 Å²	40.1	5%	0.049	21%	0.207	C	C	.	.	H	α-helix	trans	-59	-47.3	169.3	-75.8	108.8	0	0	0	112	V59 P63 S65 L71 F72 I73 L88 R91 C92 L101	V59-W69 HydrophobicContact CB-CD2 4.03Å; V59-W69 HydrophobicContact CB-CE3 4.14Å; V59-W69 HydrophobicContact CB-CH2 3.86Å; V59-W69 HydrophobicContact CB-CZ2 3.76Å; V59-W69 HydrophobicContact CB-CZ3 4.08Å; V59-W69 HydrophobicContact CG1-CD2 3.98Å; V59-W69 HydrophobicContact CG1-CE3 4.07Å; V59-W69 HydrophobicContact CG1-CG 4.4Å; V59-W69 HydrophobicContact CG1-CZ3 4.43Å; V59-W69 HydrophobicContact CG2-CE3 4.27Å; V59-W69 HydrophobicContact CG2-CH2 3.62Å; V59-W69 HydrophobicContact CG2-CZ2 4.03Å; V59-W69 HydrophobicContact CG2-CZ3 3.78Å; P63-W69 PolarHBondContact O-NE1 3.18Å; S65-W69 VanDerWaalsContact O-CD1 3.24Å; S65-W69 PolarHBondContact O-N 3.23Å; W69-L71 PolarHBondContact O-N 3.32Å; W69-F72 PolarHBondContact O-N 3.04Å; W69-I73 WeakPolarHBondContact O-CB 3.24Å; W69-I73 WeakPolarHBondContact O-CG1 3.42Å; W69-I73 PolarHBondContact O-N 3.04Å; W69-L88 HydrophobicContact CZ3-CD2 4.23Å; W69-R91 HydrophobicContact CH2-CG 4.32Å; W69-R91 VanDerWaalsContact CZ3-NH2 3.3Å; W69-C92 HydrophobicContact CD2-CB 3.38Å; W69-C92 HydrophobicContact CE3-CB 3.58Å; W69-C92 HydrophobicContact CG-CB 3.85Å; W69-C92 HydrophobicContact CH2-CB 4.11Å; W69-C92 HydrophobicContact CZ2-CB 3.91Å; W69-C92 HydrophobicContact CZ3-CB 3.93Å; W69-L101 HydrophobicContact CB-CD1 4.11Å; W69-L101 HydrophobicContact CB-CD2 4.38Å
70	K	95.5	Very high	94.1	Very high	54 Å²	54	47.2 Å²	47.2	24%	0.235	24%	0.237	C	C	.	.	H	α-helix	trans	-58.1	-47.8	176.9	175.7	177.6	174.2	-176.5	0	111.9	G66 R67 F72 I73 E74 D100	G66-K70 VanDerWaalsContact O-CB 3.24Å; G66-K70 WeakPolarHBondContact O-CB 3.33Å; G66-K70 PolarHBondContact O-N 2.89Å; R67-K70 PolarHBondContact O-N 3.1Å; K70-F72 VanDerWaalsContact C-N 3.3Å; K70-F72 PolarHBondContact O-N 3.46Å; K70-I73 PolarHBondContact O-N 3.43Å; K70-E74 WeakPolarHBondContact CE-OE1 3.26Å; K70-E74 HydrophobicContact CG-CG 4.15Å; K70-E74 IonicContact NZ-OE1 2.67Å; K70-E74 WeakPolarHBondContact O-CB 3.28Å; K70-E74 WeakPolarHBondContact O-CG 3.46Å; K70-E74 PolarHBondContact O-N 2.92Å; K70-D100 HydrophobicContact CD-CB 3.92Å
71	L	94.3	Very high	94.1	Very high	38 Å²	38	45 Å²	45	20%	0.199	22%	0.219	C	C	.	.	H	α-helix	trans	-57.7	-40.8	178.6	-74.1	173.5	0	0	0	112.8	I40 R67 F68 W69 A75	I40-L71 HydrophobicContact CG2-CD1 4.27Å; R67-L71 WeakPolarHBondContact O-CG 3.39Å; R67-L71 PolarHBondContact O-N 2.91Å; F68-L71 HydrophobicContact CD1-CD1 4.32Å; F68-L71 PolarHBondContact O-N 3.39Å; W69-L71 PolarHBondContact O-N 3.32Å; L71-A75 WeakPolarHBondContact O-CB 3.06Å; L71-A75 PolarHBondContact O-N 3.21Å
72	F	95.4	Very high	94.1	Very high	2 Å²	2	46 Å²	46	1%	0.009	22%	0.221	C	C	.	.	H	α-helix	trans	-69.6	-43.1	177.1	-178.6	-161.1	0	0	0	111.8	R52 H55 E56 V59 F68 W69 K70 A75 E76 L88	R52-F72 HydrophobicContact CB-CE2 4.5Å; R52-F72 HydrophobicContact CG-CE2 4.01Å; R52-F72 HydrophobicContact CG-CZ 3.91Å; H55-F72 HydrophobicContact CB-CB 3.96Å; H55-F72 HydrophobicContact CB-CD1 3.98Å; H55-F72 HydrophobicContact CB-CD2 3.52Å; H55-F72 HydrophobicContact CB-CE1 4.35Å; H55-F72 HydrophobicContact CB-CE2 3.97Å; H55-F72 HydrophobicContact CB-CG 3.55Å; H55-F72 HydrophobicContact CB-CZ 4.36Å; H55-F72 AromaticContact CG-CD2 3.84Å; H55-F72 AromaticContact CG-CG 3.99Å; E56-F72 HydrophobicContact CG-CE1 4.13Å; E56-F72 HydrophobicContact CG-CZ 4.07Å; E56-F72 WeakPolarHBondContact OE1-CE1 3.39Å; V59-F72 HydrophobicContact CG1-CD1 4.34Å; V59-F72 HydrophobicContact CG2-CD1 4.34Å; F68-F72 PolarHBondContact O-N 2.87Å; W69-F72 PolarHBondContact O-N 3.04Å; K70-F72 VanDerWaalsContact C-N 3.3Å; K70-F72 PolarHBondContact O-N 3.46Å; F72-A75 PolarHBondContact O-N 3.3Å; F72-E76 HydrophobicContact CD2-CG 4.15Å; F72-E76 HydrophobicContact CE2-CG 3.81Å; F72-E76 PolarHBondContact O-N 3.02Å; F72-E76 VanDerWaalsContact O-N 3.1Å; F72-L88 HydrophobicContact CD1-CD1 3.92Å; F72-L88 HydrophobicContact CD1-CD2 3.86Å; F72-L88 HydrophobicContact CD2-CD1 4.26Å; F72-L88 HydrophobicContact CE1-CD1 3.86Å; F72-L88 HydrophobicContact CE1-CD2 3.36Å; F72-L88 HydrophobicContact CE1-CG 4.27Å; F72-L88 HydrophobicContact CE2-CD1 4.17Å; F72-L88 HydrophobicContact CG-CD1 4.11Å; F72-L88 HydrophobicContact CZ-CD1 3.98Å; F72-L88 HydrophobicContact CZ-CD2 3.94Å
73	I	95.8	Very high	94	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-45.8	177.4	-72.7	163.9	0	0	0	111.1	W69 K70 A75 E76 I77 V85 L88 F89 L101	W69-I73 WeakPolarHBondContact O-CB 3.24Å; W69-I73 WeakPolarHBondContact O-CG1 3.42Å; W69-I73 PolarHBondContact O-N 3.04Å; K70-I73 PolarHBondContact O-N 3.43Å; I73-A75 VanDerWaalsContact C-N 3.28Å; I73-A75 PolarHBondContact O-N 3.31Å; I73-E76 PolarHBondContact O-N 2.93Å; I73-I77 HydrophobicContact CG2-CD1 3.66Å; I73-I77 HydrophobicContact CG2-CG1 4.27Å; I73-I77 WeakPolarHBondContact O-CB 3.22Å; I73-I77 VanDerWaalsContact O-CG1 3.29Å; I73-I77 WeakPolarHBondContact O-CG1 3.23Å; I73-I77 PolarHBondContact O-N 3.26Å; I73-V85 HydrophobicContact CG2-CG1 4.11Å; I73-L88 HydrophobicContact CD1-CB 4.27Å; I73-L88 HydrophobicContact CG1-CB 3.85Å; I73-L88 HydrophobicContact CG1-CD1 3.86Å; I73-F89 HydrophobicContact CD1-CD1 4.04Å; I73-F89 HydrophobicContact CD1-CE1 3.82Å; I73-F89 HydrophobicContact CD1-CZ 4.25Å; I73-F89 HydrophobicContact CG2-CE1 4.34Å; I73-F89 HydrophobicContact CG2-CE2 4.06Å; I73-F89 HydrophobicContact CG2-CZ 3.69Å; I73-L101 HydrophobicContact CD1-CD1 3.66Å
74	E	94.5	Very high	94	Very high	84 Å²	84	54.1 Å²	54.1	39%	0.393	26%	0.258	S	S	.	.	H	α-helix	trans	-61.8	-34.8	176.8	-73.3	178.5	151.4	0	0	112.1	K70 K78	K70-E74 WeakPolarHBondContact CE-OE1 3.26Å; K70-E74 HydrophobicContact CG-CG 4.15Å; K70-E74 IonicContact NZ-OE1 2.67Å; K70-E74 WeakPolarHBondContact O-CB 3.28Å; K70-E74 WeakPolarHBondContact O-CG 3.46Å; K70-E74 PolarHBondContact O-N 2.92Å; E74-K78 VanDerWaalsContact O-CB 3.31Å; E74-K78 WeakPolarHBondContact O-CB 3.45Å; E74-K78 PolarHBondContact O-N 3.41Å
75	A	93.4	Very high	94.1	Very high	28 Å²	28	53.6 Å²	53.6	23%	0.231	25%	0.254	C	S	.	.	H	α-helix	trans	-66.7	-42.8	174.5	0	0	0	0	0	112.7	I48 L71 F72 I73 K78 A79	I48-A75 HydrophobicContact CD1-CB 3.8Å; L71-A75 WeakPolarHBondContact O-CB 3.06Å; L71-A75 PolarHBondContact O-N 3.21Å; F72-A75 PolarHBondContact O-N 3.3Å; I73-A75 VanDerWaalsContact C-N 3.28Å; I73-A75 PolarHBondContact O-N 3.31Å; A75-K78 PolarHBondContact O-N 3.42Å; A75-A79 PolarHBondContact O-N 3.02Å; A75-A79 VanDerWaalsContact O-N 3.11Å
76	E	94	Very high	94.1	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.009	27%	0.269	C	S	.	.	H	α-helix	trans	-72.3	-33.1	175.7	-70	-72.7	-171.1	0	0	112.7	I48 R52 F72 I73 A79 K80 N81 V85 L88	I48-E76 HydrophobicContact CD1-CG 4.11Å; I48-E76 HydrophobicContact CG1-CG 4.38Å; I48-E76 WeakPolarHBondContact CG1-OE2 3.4Å; R52-E76 IonicContact CZ-OE1 3.19Å; R52-E76 IonicContact NE-OE1 3.37Å; R52-E76 PolarHBondContact NE-OE1 2.71Å; R52-E76 IonicContact NH2-OE1 3.79Å; R52-E76 PolarHBondContact NH2-OE1 2.85Å; R52-E76 IonicContact NH2-OE2 2.74Å; R52-E76 PolarHBondContact NH2-OE2 3.18Å; F72-E76 HydrophobicContact CD2-CG 4.15Å; F72-E76 HydrophobicContact CE2-CG 3.81Å; F72-E76 PolarHBondContact O-N 3.02Å; F72-E76 VanDerWaalsContact O-N 3.1Å; I73-E76 PolarHBondContact O-N 2.93Å; E76-A79 CarbonylContact O-C 3.58Å; E76-A79 PolarHBondContact O-N 3.14Å; E76-K80 PolarHBondContact O-N 2.87Å; E76-K80 VanDerWaalsContact O-N 3.14Å; E76-N81 HydrophobicContact CB-CB 4.5Å; E76-N81 PolarHBondContact O-N 2.82Å; E76-N81 VanDerWaalsContact OE2-CB 3.24Å; E76-N81 WeakPolarHBondContact OE2-CB 3.46Å; E76-N81 PolarHBondContact OE2-ND2 2.87Å; E76-V85 HydrophobicContact CB-CG2 3.69Å; E76-L88 HydrophobicContact CG-CD1 4.25Å
77	I	93.7	Very high	94.2	Very high	33 Å²	33	63.6 Å²	63.6	17%	0.169	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-46.1	170.7	-69.8	171	0	0	0	110.2	I73 A79 K80 V85	I73-I77 HydrophobicContact CG2-CD1 3.66Å; I73-I77 HydrophobicContact CG2-CG1 4.27Å; I73-I77 WeakPolarHBondContact O-CB 3.22Å; I73-I77 VanDerWaalsContact O-CG1 3.29Å; I73-I77 WeakPolarHBondContact O-CG1 3.23Å; I73-I77 PolarHBondContact O-N 3.26Å; I77-A79 PolarHBondContact O-N 3.48Å; I77-K80 WeakPolarHBondContact O-CA 3.25Å; I77-K80 PolarHBondContact O-N 3.37Å; I77-V85 HydrophobicContact CD1-CG1 4.19Å; I77-V85 HydrophobicContact CG1-CB 4.41Å; I77-V85 HydrophobicContact CG1-CG1 3.91Å; I77-V85 HydrophobicContact CG1-CG2 3.64Å
78	K	92.4	Very high	94.3	Very high	187 Å²	187	57.3 Å²	57.3	81%	0.813	27%	0.274	S	S	*	.	H	α-helix	trans	-60.2	-33.2	176.1	-173.3	180	178.7	-175	0	112.2	E74 A75 K80	E74-K78 VanDerWaalsContact O-CB 3.31Å; E74-K78 WeakPolarHBondContact O-CB 3.45Å; E74-K78 PolarHBondContact O-N 3.41Å; A75-K78 PolarHBondContact O-N 3.42Å; K78-K80 VanDerWaalsContact C-N 3.28Å
79	A	92.8	Very high	94.3	Very high	40 Å²	40	57 Å²	57	33%	0.331	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-0.3	172.4	0	0	0	0	0	114.4	I48 A75 E76 I77 N81	I48-A79 HydrophobicContact CB-CB 4.09Å; I48-A79 HydrophobicContact CG1-CB 4.06Å; I48-A79 HydrophobicContact CG2-CB 3.87Å; A75-A79 PolarHBondContact O-N 3.02Å; A75-A79 VanDerWaalsContact O-N 3.11Å; E76-A79 CarbonylContact O-C 3.58Å; E76-A79 PolarHBondContact O-N 3.14Å; I77-A79 PolarHBondContact O-N 3.48Å; A79-N81 PolarHBondContact O-N 3.18Å
80	K	93.4	Very high	94.2	Very high	152 Å²	152	63.2 Å²	63.2	66%	0.661	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	23.4	-176.8	-58.4	-178.4	179	178.1	0	115	E76 I77 K78 Y82	E76-K80 PolarHBondContact O-N 2.87Å; E76-K80 VanDerWaalsContact O-N 3.14Å; I77-K80 WeakPolarHBondContact O-CA 3.25Å; I77-K80 PolarHBondContact O-N 3.37Å; K78-K80 VanDerWaalsContact C-N 3.28Å; K80-Y82 HydrophobicContact CB-CE2 4.19Å; K80-Y82 WeakPolarHBondContact O-CD2 3.35Å; K80-Y82 PolarHBondContact O-N 3.11Å
81	N	93.8	Very high	94.1	Very high	45 Å²	45	65.1 Å²	65.1	24%	0.241	31%	0.308	C	S	.	.			trans	-83	59	179.3	-74.5	-35.5	0	0	0	111.7	E76 A79 D83 K84 V85	E76-N81 HydrophobicContact CB-CB 4.5Å; E76-N81 PolarHBondContact O-N 2.82Å; E76-N81 VanDerWaalsContact OE2-CB 3.24Å; E76-N81 WeakPolarHBondContact OE2-CB 3.46Å; E76-N81 PolarHBondContact OE2-ND2 2.87Å; A79-N81 PolarHBondContact O-N 3.18Å; N81-D83 VanDerWaalsContact C-N 3.26Å; N81-D83 PolarHBondContact O-N 2.98Å; N81-D83 VanDerWaalsContact O-N 3.15Å; N81-K84 HydrophobicContact CB-CB 4.25Å; N81-K84 HydrophobicContact CB-CD 3.97Å; N81-K84 HydrophobicContact CB-CG 4.26Å; N81-K84 PolarHBondContact ND2-NZ 3.06Å; N81-K84 WeakPolarHBondContact O-CB 3.33Å; N81-K84 PolarHBondContact O-N 3.27Å; N81-V85 PolarHBondContact O-N 3.29Å; N81-V85 VanDerWaalsContact O-N 3.14Å
82	Y	92.4	Very high	94.1	Very high	72 Å²	72	63.4 Å²	63.4	28%	0.282	30%	0.299	S	S	.	.	H	α-helix	trans	-56.9	-34.1	-171.2	-58.1	-61.7	0	0	0	114	K80 K84 V85 E86 Y108 E111 T112	K80-Y82 HydrophobicContact CB-CE2 4.19Å; K80-Y82 WeakPolarHBondContact O-CD2 3.35Å; K80-Y82 PolarHBondContact O-N 3.11Å; Y82-K84 VanDerWaalsContact C-N 3.28Å; Y82-K84 PolarHBondContact O-N 2.88Å; Y82-V85 WeakPolarHBondContact O-CB 3.46Å; Y82-V85 PolarHBondContact O-N 3.35Å; Y82-E86 PolarHBondContact O-N 2.93Å; Y82-Y108 HydrophobicContact CD1-CD2 4.4Å; Y82-Y108 HydrophobicContact CD1-CE2 4Å; Y82-E111 PolarHBondContact OH-OE1 3.45Å; Y82-T112 HydrophobicContact CD1-CG2 3.45Å; Y82-T112 VanDerWaalsContact CD1-CG2 3.45Å; Y82-T112 HydrophobicContact CE1-CG2 3.73Å; Y82-T112 HydrophobicContact CG-CG2 3.9Å
83	D	93.1	Very high	94	Very high	136 Å²	136	63.7 Å²	63.7	73%	0.727	30%	0.301	S	S	*	.	H	α-helix	trans	-63.7	-31.7	176.2	-55	-43.6	0	0	0	113.3	N81 K87	N81-D83 VanDerWaalsContact C-N 3.26Å; N81-D83 PolarHBondContact O-N 2.98Å; N81-D83 VanDerWaalsContact O-N 3.15Å; D83-K87 WeakPolarHBondContact O-CG 3.49Å
84	K	93.8	Very high	93.8	Very high	75 Å²	75	69.4 Å²	69.4	33%	0.326	33%	0.329	S	S	.	.	H	α-helix	trans	-76.7	-41	174.8	-62	179.5	-169.7	153.8	0	110	N81 Y82 E86 K87 L88	N81-K84 HydrophobicContact CB-CB 4.25Å; N81-K84 HydrophobicContact CB-CD 3.97Å; N81-K84 HydrophobicContact CB-CG 4.26Å; N81-K84 PolarHBondContact ND2-NZ 3.06Å; N81-K84 WeakPolarHBondContact O-CB 3.33Å; N81-K84 PolarHBondContact O-N 3.27Å; Y82-K84 VanDerWaalsContact C-N 3.28Å; Y82-K84 PolarHBondContact O-N 2.88Å; K84-E86 VanDerWaalsContact C-N 3.32Å; K84-E86 PolarHBondContact O-N 3.44Å; K84-K87 WeakPolarHBondContact O-CB 3.49Å; K84-K87 PolarHBondContact O-N 3.46Å; K84-L88 WeakPolarHBondContact O-CG 3.46Å; K84-L88 PolarHBondContact O-N 3.4Å
85	V	95.4	Very high	93.5	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-57.5	-43.9	176.2	174.3	0	0	0	0	111.4	I73 E76 I77 N81 Y82 K87 L88 F89 Y108	I73-V85 HydrophobicContact CG2-CG1 4.11Å; E76-V85 HydrophobicContact CB-CG2 3.69Å; I77-V85 HydrophobicContact CD1-CG1 4.19Å; I77-V85 HydrophobicContact CG1-CB 4.41Å; I77-V85 HydrophobicContact CG1-CG1 3.91Å; I77-V85 HydrophobicContact CG1-CG2 3.64Å; N81-V85 PolarHBondContact O-N 3.29Å; N81-V85 VanDerWaalsContact O-N 3.14Å; Y82-V85 WeakPolarHBondContact O-CB 3.46Å; Y82-V85 PolarHBondContact O-N 3.35Å; V85-K87 PolarHBondContact O-N 2.78Å; V85-L88 PolarHBondContact O-N 3.27Å; V85-F89 HydrophobicContact CG1-CD2 3.76Å; V85-F89 HydrophobicContact CG1-CE2 3.43Å; V85-F89 VanDerWaalsContact CG1-CE2 3.43Å; V85-F89 HydrophobicContact CG1-CZ 4.46Å; V85-F89 VanDerWaalsContact O-CD2 3.32Å; V85-F89 WeakPolarHBondContact O-CD2 3.43Å; V85-F89 PolarHBondContact O-N 3.31Å; V85-Y108 HydrophobicContact CB-CD2 4.37Å; V85-Y108 HydrophobicContact CB-CE2 4.02Å; V85-Y108 HydrophobicContact CG1-CD2 3.48Å; V85-Y108 VanDerWaalsContact CG1-CD2 3.48Å; V85-Y108 HydrophobicContact CG1-CE2 3.54Å; V85-Y108 HydrophobicContact CG1-CG 4.07Å
86	E	93.8	Very high	93.6	Very high	76 Å²	76	70.4 Å²	70.4	36%	0.355	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-41.3	177.4	-160	157.7	130.5	0	0	112.1	Y82 K84 L88 F89 Q90 Y108 K113	Y82-E86 PolarHBondContact O-N 2.93Å; K84-E86 VanDerWaalsContact C-N 3.32Å; K84-E86 PolarHBondContact O-N 3.44Å; E86-L88 PolarHBondContact O-N 3.44Å; E86-F89 PolarHBondContact O-N 2.96Å; E86-Q90 WeakPolarHBondContact O-CG 3.43Å; E86-Q90 PolarHBondContact O-N 3.37Å; E86-Y108 PolarHBondContact OE2-OH 2.71Å; E86-K113 IonicContact OE2-NZ 2.68Å; E86-K113 PolarHBondContact OE2-NZ 2.88Å
87	K	95.5	Very high	93.6	Very high	143 Å²	143	71.3 Å²	71.3	62%	0.622	33%	0.332	S	S	*	.	H	α-helix	trans	-64.6	-35.6	173.9	-69.3	174.3	-177.9	179.2	0	112.8	D83 K84 V85 R91	D83-K87 WeakPolarHBondContact O-CG 3.49Å; K84-K87 WeakPolarHBondContact O-CB 3.49Å; K84-K87 PolarHBondContact O-N 3.46Å; V85-K87 PolarHBondContact O-N 2.78Å; K87-R91 WeakPolarHBondContact O-CB 3.46Å; K87-R91 PolarHBondContact O-N 2.75Å; K87-R91 VanDerWaalsContact O-N 3.14Å
88	L	95.7	Very high	93.7	Very high	8 Å²	8	70.4 Å²	70.4	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-66	-47	175.2	-67.9	176.5	0	0	0	111.2	W69 F72 I73 E76 K84 V85 E86 Q90 R91 C92	W69-L88 HydrophobicContact CZ3-CD2 4.23Å; F72-L88 HydrophobicContact CD1-CD1 3.92Å; F72-L88 HydrophobicContact CD1-CD2 3.86Å; F72-L88 HydrophobicContact CD2-CD1 4.26Å; F72-L88 HydrophobicContact CE1-CD1 3.86Å; F72-L88 HydrophobicContact CE1-CD2 3.36Å; F72-L88 HydrophobicContact CE1-CG 4.27Å; F72-L88 HydrophobicContact CE2-CD1 4.17Å; F72-L88 HydrophobicContact CG-CD1 4.11Å; F72-L88 HydrophobicContact CZ-CD1 3.98Å; F72-L88 HydrophobicContact CZ-CD2 3.94Å; I73-L88 HydrophobicContact CD1-CB 4.27Å; I73-L88 HydrophobicContact CG1-CB 3.85Å; I73-L88 HydrophobicContact CG1-CD1 3.86Å; E76-L88 HydrophobicContact CG-CD1 4.25Å; K84-L88 WeakPolarHBondContact O-CG 3.46Å; K84-L88 PolarHBondContact O-N 3.4Å; V85-L88 PolarHBondContact O-N 3.27Å; E86-L88 PolarHBondContact O-N 3.44Å; L88-Q90 PolarHBondContact O-N 3.17Å; L88-R91 WeakPolarHBondContact O-CB 3.38Å; L88-R91 PolarHBondContact O-N 3.07Å; L88-C92 PolarHBondContact O-N 2.99Å; L88-C92 VanDerWaalsContact O-N 3.07Å; L88-C92 PolarHBondContact O-SG 2.99Å
89	F	95.9	Very high	93.8	Very high	9 Å²	9	62.1 Å²	62.1	4%	0.039	29%	0.291	C	S	.	.	H	α-helix	trans	-59.5	-43.8	175.3	-75.7	-58.7	0	0	0	112.3	I73 V85 E86 R91 C92 L93 L101 Y105 Y108	I73-F89 HydrophobicContact CD1-CD1 4.04Å; I73-F89 HydrophobicContact CD1-CE1 3.82Å; I73-F89 HydrophobicContact CD1-CZ 4.25Å; I73-F89 HydrophobicContact CG2-CE1 4.34Å; I73-F89 HydrophobicContact CG2-CE2 4.06Å; I73-F89 HydrophobicContact CG2-CZ 3.69Å; V85-F89 HydrophobicContact CG1-CD2 3.76Å; V85-F89 HydrophobicContact CG1-CE2 3.43Å; V85-F89 VanDerWaalsContact CG1-CE2 3.43Å; V85-F89 HydrophobicContact CG1-CZ 4.46Å; V85-F89 VanDerWaalsContact O-CD2 3.32Å; V85-F89 WeakPolarHBondContact O-CD2 3.43Å; V85-F89 PolarHBondContact O-N 3.31Å; E86-F89 PolarHBondContact O-N 2.96Å; F89-R91 PolarHBondContact O-N 3.11Å; F89-C92 PolarHBondContact O-N 3.15Å; F89-L93 HydrophobicContact CD1-CD1 4.41Å; F89-L93 WeakPolarHBondContact O-CB 3.23Å; F89-L93 PolarHBondContact O-N 2.82Å; F89-L101 HydrophobicContact CE1-CD1 4.25Å; F89-Y105 HydrophobicContact CB-CD2 4.43Å; F89-Y105 AromaticContact CD1-CD2 3.96Å; F89-Y105 HydrophobicContact CD1-CD2 3.96Å; F89-Y105 HydrophobicContact CD1-CG 4.43Å; F89-Y105 HydrophobicContact CD2-CD2 4.12Å; F89-Y105 HydrophobicContact CE1-CD2 4.21Å; F89-Y105 HydrophobicContact CE1-CG 4.39Å; F89-Y105 HydrophobicContact CE2-CD2 4.34Å; F89-Y105 AromaticContact CG-CD2 3.93Å; F89-Y105 HydrophobicContact CG-CD2 3.93Å; F89-Y105 VanDerWaalsContact CZ-CA 3.45Å; F89-Y105 HydrophobicContact CZ-CD2 4.39Å; F89-Y108 AromaticContact CD2-CD1 3.98Å; F89-Y108 HydrophobicContact CD2-CD1 3.98Å; F89-Y108 HydrophobicContact CD2-CE1 4.33Å; F89-Y108 HydrophobicContact CD2-CG 4.34Å; F89-Y108 AromaticContact CE2-CD1 3.71Å; F89-Y108 HydrophobicContact CE2-CD1 3.71Å; F89-Y108 HydrophobicContact CE2-CD2 4.31Å; F89-Y108 HydrophobicContact CE2-CE1 4.44Å; F89-Y108 AromaticContact CE2-CG 3.65Å; F89-Y108 HydrophobicContact CE2-CG 3.65Å
90	Q	94.3	Very high	93.9	Very high	143 Å²	143	62.8 Å²	62.8	67%	0.668	29%	0.289	S	S	*	.	H	α-helix	trans	-57.9	-31.3	174	-71.5	171.7	6.1	0	0	112.8	E86 L88	E86-Q90 WeakPolarHBondContact O-CG 3.43Å; E86-Q90 PolarHBondContact O-N 3.37Å; L88-Q90 PolarHBondContact O-N 3.17Å
91	R	93.4	Very high	94	Very high	95 Å²	95	55.5 Å²	55.5	36%	0.358	26%	0.258	S	S	.	.	H	α-helix	trans	-81.5	-34.1	-177.5	-162.1	169.4	70.5	170.1	12	113.6	E56 W69 K87 L88 F89	E56-R91 IonicContact OE1-CZ 3.44Å; E56-R91 IonicContact OE1-NH1 2.73Å; E56-R91 PolarHBondContact OE1-NH1 3.35Å; E56-R91 IonicContact OE1-NH2 3.74Å; E56-R91 PolarHBondContact OE1-NH2 2.99Å; E56-R91 IonicContact OE2-CZ 2.91Å; E56-R91 VanDerWaalsContact OE2-CZ 3.24Å; E56-R91 IonicContact OE2-NH1 2.72Å; E56-R91 PolarHBondContact OE2-NH1 3.46Å; E56-R91 IonicContact OE2-NH2 3.69Å; E56-R91 PolarHBondContact OE2-NH2 3.3Å; W69-R91 HydrophobicContact CH2-CG 4.32Å; W69-R91 VanDerWaalsContact CZ3-NH2 3.3Å; K87-R91 WeakPolarHBondContact O-CB 3.46Å; K87-R91 PolarHBondContact O-N 2.75Å; K87-R91 VanDerWaalsContact O-N 3.14Å; L88-R91 WeakPolarHBondContact O-CB 3.38Å; L88-R91 PolarHBondContact O-N 3.07Å; F89-R91 PolarHBondContact O-N 3.11Å
92	C	94.1	Very high	94.2	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.007	25%	0.246	C	C	.	.	H	α-helix	trans	-116.4	-31.8	-171.7	70.7	0	0	0	0	116.3	W69 L88 F89 M94 K95 V96	W69-C92 HydrophobicContact CD2-CB 3.38Å; W69-C92 HydrophobicContact CE3-CB 3.58Å; W69-C92 HydrophobicContact CG-CB 3.85Å; W69-C92 HydrophobicContact CH2-CB 4.11Å; W69-C92 HydrophobicContact CZ2-CB 3.91Å; W69-C92 HydrophobicContact CZ3-CB 3.93Å; L88-C92 PolarHBondContact O-N 2.99Å; L88-C92 VanDerWaalsContact O-N 3.07Å; L88-C92 PolarHBondContact O-SG 2.99Å; F89-C92 PolarHBondContact O-N 3.15Å; C92-M94 VanDerWaalsContact C-N 3.34Å; C92-M94 PolarHBondContact O-N 2.92Å; C92-K95 PolarHBondContact O-N 3.13Å; C92-V96 PolarHBondContact O-N 3.36Å
93	L	92.8	Very high	94.3	Very high	8 Å²	8	53 Å²	53	4%	0.042	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-40	-164.4	-173.1	65.8	0	0	0	113.3	F89 K95 L101 W102 Y105 F129	F89-L93 HydrophobicContact CD1-CD1 4.41Å; F89-L93 WeakPolarHBondContact O-CB 3.23Å; F89-L93 PolarHBondContact O-N 2.82Å; L93-K95 VanDerWaalsContact C-N 3.3Å; L93-K95 PolarHBondContact O-N 3.39Å; L93-L101 HydrophobicContact CD1-CG 4.44Å; L93-W102 HydrophobicContact CD1-CD2 3.65Å; L93-W102 HydrophobicContact CD1-CE3 3.98Å; L93-W102 HydrophobicContact CD1-CG 4.09Å; L93-W102 HydrophobicContact CD1-CH2 4.22Å; L93-W102 HydrophobicContact CD1-CZ2 3.89Å; L93-W102 HydrophobicContact CD1-CZ3 4.26Å; L93-W102 HydrophobicContact CD2-CH2 4.2Å; L93-W102 HydrophobicContact CD2-CZ3 4.19Å; L93-W102 HydrophobicContact CG-CD2 4.38Å; L93-W102 HydrophobicContact CG-CE3 4.43Å; L93-W102 HydrophobicContact CG-CH2 3.88Å; L93-W102 HydrophobicContact CG-CZ2 3.78Å; L93-W102 HydrophobicContact CG-CZ3 4.2Å; L93-W102 WeakPolarHBondContact O-CZ2 3.48Å; L93-Y105 HydrophobicContact CD1-CG 4.36Å; L93-Y105 HydrophobicContact CD2-CD1 3.97Å; L93-Y105 HydrophobicContact CD2-CD2 3.71Å; L93-Y105 HydrophobicContact CD2-CE1 4.17Å; L93-Y105 HydrophobicContact CD2-CE2 3.92Å; L93-Y105 HydrophobicContact CD2-CG 3.73Å; L93-F129 HydrophobicContact CD2-CE1 4.1Å
94	M	91.2	Very high	94.5	Very high	121 Å²	121	47 Å²	47	60%	0.596	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-14	177	-70.6	-62.8	-68.3	0	0	114.3	C92 F129	C92-M94 VanDerWaalsContact C-N 3.34Å; C92-M94 PolarHBondContact O-N 2.92Å; M94-F129 HydrophobicContact SD-CE2 3.98Å; M94-F129 HydrophobicContact SD-CZ 3.59Å; M94-F129 VanDerWaalsContact SD-CZ 3.59Å
95	K	89.8	Confident	94.6	Very high	133 Å²	133	45.6 Å²	45.6	58%	0.578	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-17.4	-177.2	-62.3	179.8	-177.6	172.9	0	113.1	C92 L93	C92-K95 PolarHBondContact O-N 3.13Å; L93-K95 VanDerWaalsContact C-N 3.3Å; L93-K95 PolarHBondContact O-N 3.39Å
96	V	93.5	Very high	94.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.209	C	C	.	.			trans	-129.9	95.7	-170.1	-178.4	0	0	0	0	109.4	P63 S64 C92 H98 L101 W102 L286	P63-V96 WeakPolarHBondContact O-CG2 3.41Å; S64-V96 WeakPolarHBondContact O-CG1 3.09Å; C92-V96 PolarHBondContact O-N 3.36Å; V96-H98 HydrophobicContact CG1-CB 3.94Å; V96-H98 PolarHBondContact O-N 3.29Å; V96-L101 HydrophobicContact CB-CD2 3.88Å; V96-L101 HydrophobicContact CG1-CD2 3.83Å; V96-W102 PolarHBondContact O-NE1 3.11Å; V96-L286 HydrophobicContact CG1-CD2 4.27Å
97	L	94.8	Very high	94.8	Very high	21 Å²	21	44.5 Å²	44.5	11%	0.11	21%	0.211	C	C	.	.			trans	-81.1	51.7	178.8	-60.6	-171.1	0	0	0	112.1	W102 K133 I134 F279 E282 Q283	L97-W102 HydrophobicContact CD2-CZ2 4.07Å; L97-K133 HydrophobicContact CD2-CB 4.23Å; L97-I134 HydrophobicContact CB-CD1 4.12Å; L97-I134 WeakPolarHBondContact O-CD1 3.43Å; L97-F279 HydrophobicContact CD1-CD2 4.35Å; L97-F279 HydrophobicContact CD1-CE2 4.33Å; L97-E282 HydrophobicContact CD1-CB 3.91Å; L97-E282 HydrophobicContact CD1-CG 4.07Å; L97-Q283 PolarHBondContact O-NE2 3.12Å
98	H	95.6	Very high	94.8	Very high	13 Å²	13	38.1 Å²	38.1	6%	0.06	18%	0.183	C	C	.	.			trans	-94.5	125.9	179.1	-174.2	-84.1	0	0	0	111.6	V96 D100 L101 W102 R233 N234 L286	V96-H98 HydrophobicContact CG1-CB 3.94Å; V96-H98 PolarHBondContact O-N 3.29Å; H98-D100 VanDerWaalsContact C-N 3.31Å; H98-D100 WeakPolarHBondContact CE1-CB 3.32Å; H98-D100 IonicContact CE1-OD2 2.89Å; H98-D100 PolarHBondContact CE1-OD2 3.19Å; H98-D100 PolarHBondContact ND1-N 3.05Å; H98-D100 PolarHBondContact O-N 3.39Å; H98-L101 HydrophobicContact CB-CB 4.22Å; H98-L101 WeakPolarHBondContact O-CB 3.47Å; H98-L101 PolarHBondContact O-N 3.16Å; H98-W102 PolarHBondContact O-N 3.38Å; H98-R233 PolarHBondContact NE2-O 3.2Å; H98-N234 PolarHBondContact NE2-OD1 3.15Å; H98-L286 HydrophobicContact CB-CD1 4.23Å
99	I	94.8	Very high	94.7	Very high	13 Å²	13	38.1 Å²	38.1	7%	0.067	18%	0.184	C	C	.	.	H	α-helix	trans	-54.4	-40.2	-171.5	-176.1	62.5	0	0	0	114.3	W102 K103 I134 E137 M139 I143	I99-W102 PolarHBondContact O-N 2.94Å; I99-K103 HydrophobicContact CG1-CD 4.17Å; I99-K103 WeakPolarHBondContact O-CG 3.42Å; I99-K103 PolarHBondContact O-N 3.48Å; I99-I134 HydrophobicContact CB-CG1 4.5Å; I99-I134 HydrophobicContact CD1-CG1 3.92Å; I99-E137 HydrophobicContact CB-CG 4.2Å; I99-E137 WeakPolarHBondContact CB-OE2 3.49Å; I99-E137 WeakPolarHBondContact CD1-OE2 3.46Å; I99-E137 VanDerWaalsContact CG1-OE2 3.24Å; I99-E137 WeakPolarHBondContact CG1-OE2 3.32Å; I99-M139 HydrophobicContact CG1-CB 4.43Å; I99-I143 HydrophobicContact CD1-CD1 3.7Å
100	D	95.1	Very high	94.6	Very high	54 Å²	54	42.3 Å²	42.3	29%	0.289	20%	0.199	S	C	.	.	H	α-helix	trans	-77.9	-24.1	-177.6	-63.6	-33.8	0	0	0	112.8	K70 H98 C104	K70-D100 HydrophobicContact CD-CB 3.92Å; H98-D100 VanDerWaalsContact C-N 3.31Å; H98-D100 WeakPolarHBondContact CE1-CB 3.32Å; H98-D100 IonicContact CE1-OD2 2.89Å; H98-D100 PolarHBondContact CE1-OD2 3.19Å; H98-D100 PolarHBondContact ND1-N 3.05Å; H98-D100 PolarHBondContact O-N 3.39Å; D100-C104 VanDerWaalsContact O-CB 3.28Å; D100-C104 WeakPolarHBondContact O-CB 3.45Å; D100-C104 PolarHBondContact O-N 3.34Å
101	L	95.9	Very high	94.6	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.3	-41.2	172	-177.8	63.6	0	0	0	110.6	W69 I73 F89 L93 V96 H98 C104 Y105	W69-L101 HydrophobicContact CB-CD1 4.11Å; W69-L101 HydrophobicContact CB-CD2 4.38Å; I73-L101 HydrophobicContact CD1-CD1 3.66Å; F89-L101 HydrophobicContact CE1-CD1 4.25Å; L93-L101 HydrophobicContact CD1-CG 4.44Å; V96-L101 HydrophobicContact CB-CD2 3.88Å; V96-L101 HydrophobicContact CG1-CD2 3.83Å; H98-L101 HydrophobicContact CB-CB 4.22Å; H98-L101 WeakPolarHBondContact O-CB 3.47Å; H98-L101 PolarHBondContact O-N 3.16Å; L101-C104 WeakPolarHBondContact O-CB 3.42Å; L101-C104 PolarHBondContact O-N 3.34Å; L101-Y105 PolarHBondContact O-N 2.99Å
102	W	96.6	Very high	94.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-69.7	-37.2	174.9	-76.3	87.2	0	0	0	112.7	L93 V96 L97 H98 I99 C104 Y105 L106 F129 A130 K133 I134	L93-W102 HydrophobicContact CD1-CD2 3.65Å; L93-W102 HydrophobicContact CD1-CE3 3.98Å; L93-W102 HydrophobicContact CD1-CG 4.09Å; L93-W102 HydrophobicContact CD1-CH2 4.22Å; L93-W102 HydrophobicContact CD1-CZ2 3.89Å; L93-W102 HydrophobicContact CD1-CZ3 4.26Å; L93-W102 HydrophobicContact CD2-CH2 4.2Å; L93-W102 HydrophobicContact CD2-CZ3 4.19Å; L93-W102 HydrophobicContact CG-CD2 4.38Å; L93-W102 HydrophobicContact CG-CE3 4.43Å; L93-W102 HydrophobicContact CG-CH2 3.88Å; L93-W102 HydrophobicContact CG-CZ2 3.78Å; L93-W102 HydrophobicContact CG-CZ3 4.2Å; L93-W102 WeakPolarHBondContact O-CZ2 3.48Å; V96-W102 PolarHBondContact O-NE1 3.11Å; L97-W102 HydrophobicContact CD2-CZ2 4.07Å; H98-W102 PolarHBondContact O-N 3.38Å; I99-W102 PolarHBondContact O-N 2.94Å; W102-C104 VanDerWaalsContact C-N 3.35Å; W102-Y105 HydrophobicContact CE3-CD1 4.42Å; W102-Y105 PolarHBondContact O-N 3.24Å; W102-L106 WeakPolarHBondContact O-CG 3.42Å; W102-L106 PolarHBondContact O-N 3.33Å; W102-F129 HydrophobicContact CH2-CD1 4.04Å; W102-F129 AromaticContact CH2-CE1 3.51Å; W102-F129 HydrophobicContact CH2-CE1 3.51Å; W102-F129 HydrophobicContact CH2-CE2 4.4Å; W102-F129 AromaticContact CH2-CZ 3.72Å; W102-F129 HydrophobicContact CH2-CZ 3.72Å; W102-F129 AromaticContact CZ3-CD1 3.66Å; W102-F129 HydrophobicContact CZ3-CD1 3.66Å; W102-F129 AromaticContact CZ3-CE1 3.53Å; W102-F129 HydrophobicContact CZ3-CE1 3.53Å; W102-F129 HydrophobicContact CZ3-CG 4.42Å; W102-F129 HydrophobicContact CZ3-CZ 4.2Å; W102-A130 HydrophobicContact CE3-CB 3.8Å; W102-A130 HydrophobicContact CZ3-CB 4.17Å; W102-K133 HydrophobicContact CH2-CB 3.65Å; W102-K133 HydrophobicContact CH2-CG 3.78Å; W102-K133 HydrophobicContact CZ2-CB 3.68Å; W102-K133 HydrophobicContact CZ2-CG 4.14Å; W102-K133 HydrophobicContact CZ3-CB 4.34Å; W102-I134 HydrophobicContact CB-CB 4.39Å; W102-I134 HydrophobicContact CB-CG2 3.7Å; W102-I134 HydrophobicContact CD2-CB 4.28Å; W102-I134 HydrophobicContact CD2-CG2 4Å; W102-I134 HydrophobicContact CE3-CG2 4.37Å; W102-I134 HydrophobicContact CG-CB 3.98Å; W102-I134 HydrophobicContact CG-CG1 4.3Å; W102-I134 HydrophobicContact CG-CG2 3.69Å
103	K	96.1	Very high	94.4	Very high	63 Å²	63	40.6 Å²	40.6	27%	0.274	20%	0.197	S	C	.	.	H	α-helix	trans	-62.6	-40.6	170.1	-72.1	169.6	-179.5	164.6	0	111.7	I99 L106 A107 M139 I143	I99-K103 HydrophobicContact CG1-CD 4.17Å; I99-K103 WeakPolarHBondContact O-CG 3.42Å; I99-K103 PolarHBondContact O-N 3.48Å; K103-L106 PolarHBondContact O-N 2.91Å; K103-A107 PolarHBondContact O-N 3.43Å; K103-M139 PolarHBondContact NZ-O 3Å; K103-M139 VanDerWaalsContact NZ-O 3.11Å; K103-I143 HydrophobicContact CG-CD1 4.28Å; K103-I143 HydrophobicContact CG-CG1 4.22Å
104	C	96.4	Very high	94.3	Very high	12 Å²	12	41.8 Å²	41.8	8%	0.081	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-42.9	174	-174	0	0	0	0	112	D100 L101 W102 A107 Y108	D100-C104 VanDerWaalsContact O-CB 3.28Å; D100-C104 WeakPolarHBondContact O-CB 3.45Å; D100-C104 PolarHBondContact O-N 3.34Å; L101-C104 WeakPolarHBondContact O-CB 3.42Å; L101-C104 PolarHBondContact O-N 3.34Å; W102-C104 VanDerWaalsContact C-N 3.35Å; C104-A107 PolarHBondContact O-N 2.99Å; C104-Y108 PolarHBondContact O-N 2.95Å
105	Y	96.9	Very high	94.4	Very high	44 Å²	44	45.8 Å²	45.8	17%	0.173	23%	0.225	C	C	.	.	H	α-helix	trans	-58.3	-48.2	173.7	171.9	-108.1	0	0	0	112.6	F89 L93 L101 W102 A107 Y108 V109 A126 F129	F89-Y105 HydrophobicContact CB-CD2 4.43Å; F89-Y105 AromaticContact CD1-CD2 3.96Å; F89-Y105 HydrophobicContact CD1-CD2 3.96Å; F89-Y105 HydrophobicContact CD1-CG 4.43Å; F89-Y105 HydrophobicContact CD2-CD2 4.12Å; F89-Y105 HydrophobicContact CE1-CD2 4.21Å; F89-Y105 HydrophobicContact CE1-CG 4.39Å; F89-Y105 HydrophobicContact CE2-CD2 4.34Å; F89-Y105 AromaticContact CG-CD2 3.93Å; F89-Y105 HydrophobicContact CG-CD2 3.93Å; F89-Y105 VanDerWaalsContact CZ-CA 3.45Å; F89-Y105 HydrophobicContact CZ-CD2 4.39Å; L93-Y105 HydrophobicContact CD1-CG 4.36Å; L93-Y105 HydrophobicContact CD2-CD1 3.97Å; L93-Y105 HydrophobicContact CD2-CD2 3.71Å; L93-Y105 HydrophobicContact CD2-CE1 4.17Å; L93-Y105 HydrophobicContact CD2-CE2 3.92Å; L93-Y105 HydrophobicContact CD2-CG 3.73Å; L101-Y105 PolarHBondContact O-N 2.99Å; W102-Y105 HydrophobicContact CE3-CD1 4.42Å; W102-Y105 PolarHBondContact O-N 3.24Å; Y105-A107 VanDerWaalsContact C-N 3.32Å; Y105-A107 PolarHBondContact O-N 3.42Å; Y105-Y108 WeakPolarHBondContact O-CB 3.46Å; Y105-Y108 PolarHBondContact O-N 2.7Å; Y105-V109 HydrophobicContact CD2-CG2 4.23Å; Y105-V109 HydrophobicContact CE1-CG2 4.21Å; Y105-V109 HydrophobicContact CE2-CG2 3.74Å; Y105-V109 WeakPolarHBondContact O-CG2 3.44Å; Y105-V109 PolarHBondContact O-N 3.23Å; Y105-A126 HydrophobicContact CE1-CB 4.23Å; Y105-F129 HydrophobicContact CE1-CD1 4.3Å
106	L	96.3	Very high	94.5	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-37.2	178.4	-68.2	170.2	0	0	0	112.2	W102 K103 R110 M123 A126 Y127 A130 I143	W102-L106 WeakPolarHBondContact O-CG 3.42Å; W102-L106 PolarHBondContact O-N 3.33Å; K103-L106 PolarHBondContact O-N 2.91Å; L106-R110 VanDerWaalsContact O-CB 3.26Å; L106-R110 WeakPolarHBondContact O-CB 3.34Å; L106-R110 PolarHBondContact O-N 3.47Å; L106-M123 HydrophobicContact CB-CE 4.46Å; L106-M123 HydrophobicContact CD2-CE 4.26Å; L106-A126 HydrophobicContact CD2-CB 4.11Å; L106-Y127 HydrophobicContact CD1-CD1 3.98Å; L106-Y127 HydrophobicContact CD1-CE1 4.07Å; L106-Y127 HydrophobicContact CD2-CD1 3.82Å; L106-Y127 HydrophobicContact CD2-CE1 4.16Å; L106-Y127 HydrophobicContact CD2-CG 4.37Å; L106-Y127 HydrophobicContact CG-CD1 4.49Å; L106-A130 HydrophobicContact CD1-CB 3.99Å; L106-A130 HydrophobicContact CD2-CB 4.16Å; L106-A130 HydrophobicContact CG-CB 4.34Å; L106-I143 HydrophobicContact CD1-CB 4.49Å; L106-I143 HydrophobicContact CD1-CD1 4.31Å; L106-I143 HydrophobicContact CD1-CG1 4.17Å; L106-I143 HydrophobicContact CD1-CG2 3.69Å
107	A	95.7	Very high	94.3	Very high	48 Å²	48	49.2 Å²	49.2	40%	0.397	26%	0.257	S	S	.	.	H	α-helix	trans	-63.6	-44.5	172.7	0	0	0	0	0	112.1	K103 C104 Y105 V109 R110 E111	K103-A107 PolarHBondContact O-N 3.43Å; C104-A107 PolarHBondContact O-N 2.99Å; Y105-A107 VanDerWaalsContact C-N 3.32Å; Y105-A107 PolarHBondContact O-N 3.42Å; A107-V109 PolarHBondContact O-N 2.98Å; A107-R110 WeakPolarHBondContact O-CB 3.42Å; A107-R110 PolarHBondContact O-N 3.35Å; A107-E111 PolarHBondContact O-N 3.28Å
108	Y	95.1	Very high	94.3	Very high	8 Å²	8	50.3 Å²	50.3	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-59.4	-44.9	175.4	164.8	-98.6	0	0	0	112.6	Y82 V85 E86 F89 C104 Y105 E111 T112	Y82-Y108 HydrophobicContact CD1-CD2 4.4Å; Y82-Y108 HydrophobicContact CD1-CE2 4Å; V85-Y108 HydrophobicContact CB-CD2 4.37Å; V85-Y108 HydrophobicContact CB-CE2 4.02Å; V85-Y108 HydrophobicContact CG1-CD2 3.48Å; V85-Y108 VanDerWaalsContact CG1-CD2 3.48Å; V85-Y108 HydrophobicContact CG1-CE2 3.54Å; V85-Y108 HydrophobicContact CG1-CG 4.07Å; E86-Y108 PolarHBondContact OE2-OH 2.71Å; F89-Y108 AromaticContact CD2-CD1 3.98Å; F89-Y108 HydrophobicContact CD2-CD1 3.98Å; F89-Y108 HydrophobicContact CD2-CE1 4.33Å; F89-Y108 HydrophobicContact CD2-CG 4.34Å; F89-Y108 AromaticContact CE2-CD1 3.71Å; F89-Y108 HydrophobicContact CE2-CD1 3.71Å; F89-Y108 HydrophobicContact CE2-CD2 4.31Å; F89-Y108 HydrophobicContact CE2-CE1 4.44Å; F89-Y108 AromaticContact CE2-CG 3.65Å; F89-Y108 HydrophobicContact CE2-CG 3.65Å; C104-Y108 PolarHBondContact O-N 2.95Å; Y105-Y108 WeakPolarHBondContact O-CB 3.46Å; Y105-Y108 PolarHBondContact O-N 2.7Å; Y108-E111 PolarHBondContact O-N 2.94Å; Y108-T112 HydrophobicContact CD2-CG2 3.67Å; Y108-T112 HydrophobicContact CE2-CG2 3.41Å; Y108-T112 VanDerWaalsContact CE2-CG2 3.41Å; Y108-T112 HydrophobicContact CG-CG2 4.49Å; Y108-T112 WeakPolarHBondContact O-CB 3.45Å; Y108-T112 WeakPolarHBondContact O-CG2 3.49Å; Y108-T112 PolarHBondContact O-N 3.15Å; Y108-T112 PolarHBondContact O-OG1 3.44Å
109	V	95.2	Very high	94.2	Very high	9 Å²	9	51.9 Å²	51.9	6%	0.055	27%	0.272	C	S	.	.	H	α-helix	trans	-65.6	-42.1	177.9	178.1	0	0	0	0	110.8	Y105 A107 E111 K113 M123 A126	Y105-V109 HydrophobicContact CD2-CG2 4.23Å; Y105-V109 HydrophobicContact CE1-CG2 4.21Å; Y105-V109 HydrophobicContact CE2-CG2 3.74Å; Y105-V109 WeakPolarHBondContact O-CG2 3.44Å; Y105-V109 PolarHBondContact O-N 3.23Å; A107-V109 PolarHBondContact O-N 2.98Å; V109-E111 PolarHBondContact O-N 3.34Å; V109-K113 HydrophobicContact CG1-CB 4.4Å; V109-K113 HydrophobicContact CG1-CG 4.1Å; V109-K113 WeakPolarHBondContact O-CB 3.27Å; V109-K113 PolarHBondContact O-N 3.06Å; V109-M123 HydrophobicContact CB-SD 4.15Å; V109-M123 HydrophobicContact CG1-SD 3.72Å; V109-A126 HydrophobicContact CG1-CB 4.13Å; V109-A126 HydrophobicContact CG2-CB 4.47Å
110	R	94.2	Very high	94	Very high	96 Å²	96	56 Å²	56	36%	0.362	29%	0.289	S	S	.	.	H	α-helix	trans	-58.6	-45.8	176.7	-173.2	-174.6	-62	167.8	-0.7	112	L106 A107 G114 M123 Y127 D146	L106-R110 VanDerWaalsContact O-CB 3.26Å; L106-R110 WeakPolarHBondContact O-CB 3.34Å; L106-R110 PolarHBondContact O-N 3.47Å; A107-R110 WeakPolarHBondContact O-CB 3.42Å; A107-R110 PolarHBondContact O-N 3.35Å; R110-G114 WeakPolarHBondContact O-CA 3.41Å; R110-G114 PolarHBondContact O-N 3.18Å; R110-M123 HydrophobicContact CB-CE 4.1Å; R110-M123 HydrophobicContact CB-SD 4.16Å; R110-Y127 PolarHBondContact NH2-OH 2.93Å; R110-D146 IonicContact CZ-OD2 3.62Å; R110-D146 IonicContact NH1-OD2 2.61Å; R110-D146 IonicContact NH2-OD2 3.64Å; R110-D146 PolarHBondContact NH2-OD2 3.05Å
111	E	92.4	Very high	93.9	Very high	115 Å²	115	59.1 Å²	59.1	54%	0.537	30%	0.302	S	S	.	.	H	α-helix	trans	-72.3	-53.9	179.6	-173.3	-178.8	164.9	0	0	112.2	Y82 A107 Y108 V109	Y82-E111 PolarHBondContact OH-OE1 3.45Å; A107-E111 PolarHBondContact O-N 3.28Å; Y108-E111 PolarHBondContact O-N 2.94Å; V109-E111 PolarHBondContact O-N 3.34Å
112	T	92.3	Very high	93.8	Very high	37 Å²	37	63.6 Å²	63.6	23%	0.227	32%	0.322	C	S	.	.	H	α-helix	trans	-77	-34.7	-170.1	59.2	0	0	0	0	114	Y82 Y108	Y82-T112 HydrophobicContact CD1-CG2 3.45Å; Y82-T112 VanDerWaalsContact CD1-CG2 3.45Å; Y82-T112 HydrophobicContact CE1-CG2 3.73Å; Y82-T112 HydrophobicContact CG-CG2 3.9Å; Y108-T112 HydrophobicContact CD2-CG2 3.67Å; Y108-T112 HydrophobicContact CE2-CG2 3.41Å; Y108-T112 VanDerWaalsContact CE2-CG2 3.41Å; Y108-T112 HydrophobicContact CG-CG2 4.49Å; Y108-T112 WeakPolarHBondContact O-CB 3.45Å; Y108-T112 WeakPolarHBondContact O-CG2 3.49Å; Y108-T112 PolarHBondContact O-N 3.15Å; Y108-T112 PolarHBondContact O-OG1 3.44Å
113	K	92.5	Very high	93.8	Very high	52 Å²	52	63.6 Å²	63.6	23%	0.226	32%	0.322	C	S	.	.	H	α-helix	trans	-98.4	-6.2	-177	-44.4	-53.6	178.2	-175.2	0	112.2	E86 V109 K115 L116 Y119	E86-K113 IonicContact OE2-NZ 2.68Å; E86-K113 PolarHBondContact OE2-NZ 2.88Å; V109-K113 HydrophobicContact CG1-CB 4.4Å; V109-K113 HydrophobicContact CG1-CG 4.1Å; V109-K113 WeakPolarHBondContact O-CB 3.27Å; V109-K113 PolarHBondContact O-N 3.06Å; K113-K115 PolarHBondContact O-N 2.98Å; K113-K115 VanDerWaalsContact O-N 3.1Å; K113-L116 HydrophobicContact CB-CD1 4.04Å; K113-L116 HydrophobicContact CD-CD1 4.12Å; K113-L116 WeakPolarHBondContact O-CB 3.5Å; K113-L116 PolarHBondContact O-N 3.35Å; K113-Y119 HydrophobicContact CB-CD2 4.44Å; K113-Y119 WeakPolarHBondContact O-CB 3.38Å; K113-Y119 WeakPolarHBondContact O-CD2 3.32Å
114	G	91	Very high	93.7	Very high	33 Å²	33	61.5 Å²	61.5	34%	0.34	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.6	-176.7	0	0	0	0	0	116.5	R110 Y119	R110-G114 WeakPolarHBondContact O-CA 3.41Å; R110-G114 PolarHBondContact O-N 3.18Å; G114-Y119 VanDerWaalsContact CA-CD2 3.48Å
115	K	91.6	Very high	93.7	Very high	205 Å²	205	65.9 Å²	65.9	89%	0.891	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-3.7	177.8	-62.5	-176.9	-178.8	179.9	0	114.3	K113	K113-K115 PolarHBondContact O-N 2.98Å; K113-K115 VanDerWaalsContact O-N 3.1Å
116	L	92.4	Very high	93.6	Very high	68 Å²	68	64 Å²	64	36%	0.356	33%	0.329	S	S	.	.	S	Bend	trans	-79.6	142.5	-178.6	-61.4	-178.8	0	0	0	110.9	K113 S118 Y119	K113-L116 HydrophobicContact CB-CD1 4.04Å; K113-L116 HydrophobicContact CD-CD1 4.12Å; K113-L116 WeakPolarHBondContact O-CB 3.5Å; K113-L116 PolarHBondContact O-N 3.35Å; L116-S118 PolarHBondContact O-N 2.73Å; L116-Y119 WeakPolarHBondContact O-CB 3.46Å; L116-Y119 PolarHBondContact O-N 3.21Å
117	P	89.9	Confident	93.7	Very high	137 Å²	137	63.9 Å²	63.9	89%	0.89	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.6	172.2	-26.6	35.2	0	0	0	113.2	Y119	P117-Y119 VanDerWaalsContact C-N 3.26Å; P117-Y119 PolarHBondContact O-N 2.96Å
118	S	93.7	Very high	93.7	Very high	43 Å²	43	64.6 Å²	64.6	30%	0.301	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	13	174.7	55.3	0	0	0	0	114.6	L116 K120 E121 K122	L116-S118 PolarHBondContact O-N 2.73Å; S118-K120 VanDerWaalsContact C-N 3.34Å; S118-K120 PolarHBondContact O-N 3.41Å; S118-E121 PolarHBondContact O-N 3.2Å; S118-K122 WeakPolarHBondContact O-CG 3.41Å; S118-K122 PolarHBondContact O-N 3.37Å; S118-K122 VanDerWaalsContact O-N 3.07Å; S118-K122 WeakPolarHBondContact OG-CE 3.33Å
119	Y	93.9	Very high	93.8	Very high	47 Å²	47	67.6 Å²	67.6	18%	0.184	34%	0.338	C	S	.	.	H	α-helix	trans	-56.4	-45.8	-179.4	171.5	-121.3	0	0	0	112.6	K113 G114 L116 P117 E121 K122 M123 F150	K113-Y119 HydrophobicContact CB-CD2 4.44Å; K113-Y119 WeakPolarHBondContact O-CB 3.38Å; K113-Y119 WeakPolarHBondContact O-CD2 3.32Å; G114-Y119 VanDerWaalsContact CA-CD2 3.48Å; L116-Y119 WeakPolarHBondContact O-CB 3.46Å; L116-Y119 PolarHBondContact O-N 3.21Å; P117-Y119 VanDerWaalsContact C-N 3.26Å; P117-Y119 PolarHBondContact O-N 2.96Å; Y119-E121 VanDerWaalsContact C-N 3.29Å; Y119-E121 PolarHBondContact O-N 3.45Å; Y119-K122 PolarHBondContact O-N 2.84Å; Y119-M123 HydrophobicContact CD2-CB 4.01Å; Y119-M123 HydrophobicContact CE2-CB 3.6Å; Y119-M123 HydrophobicContact CE2-CG 3.78Å; Y119-M123 HydrophobicContact CE2-SD 3.87Å; Y119-M123 VanDerWaalsContact O-CB 3.26Å; Y119-M123 WeakPolarHBondContact O-CB 3.21Å; Y119-M123 PolarHBondContact O-N 2.95Å; Y119-F150 AromaticContact CE1-CE2 3.96Å; Y119-F150 HydrophobicContact CE1-CE2 3.96Å
120	K	91.2	Very high	93.8	Very high	98 Å²	98	67.1 Å²	67.1	43%	0.426	34%	0.336	S	S	.	.	H	α-helix	trans	-55.4	-45.2	-177	-70.2	-179.3	176.2	179.7	0	111.6	S118 A124 F150 V154	S118-K120 VanDerWaalsContact C-N 3.34Å; S118-K120 PolarHBondContact O-N 3.41Å; K120-A124 WeakPolarHBondContact O-CB 3.49Å; K120-A124 PolarHBondContact O-N 3.18Å; K120-F150 WeakPolarHBondContact O-CZ 3.5Å; K120-V154 HydrophobicContact CD-CG1 4.2Å
121	E	92.3	Very high	93.9	Very high	120 Å²	120	62.8 Å²	62.8	56%	0.561	32%	0.319	S	S	*	.	H	α-helix	trans	-69.7	-51.8	178.7	-172.6	-169.9	170.7	0	0	112	S118 Y119 M123 A124 Q125	S118-E121 PolarHBondContact O-N 3.2Å; Y119-E121 VanDerWaalsContact C-N 3.29Å; Y119-E121 PolarHBondContact O-N 3.45Å; E121-M123 VanDerWaalsContact C-N 3.31Å; E121-M123 PolarHBondContact O-N 3.2Å; E121-A124 PolarHBondContact O-N 2.89Å; E121-Q125 WeakPolarHBondContact O-CG 3.45Å; E121-Q125 PolarHBondContact O-N 2.83Å; E121-Q125 PolarHBondContact OE1-NE2 3.41Å; E121-Q125 VanDerWaalsContact OE1-NE2 3.16Å
122	K	94.3	Very high	94	Very high	94 Å²	94	61.2 Å²	61.2	41%	0.409	32%	0.315	S	S	.	.	H	α-helix	trans	-63.1	-35.5	-177.2	-71.1	-177.8	177	-178.5	0	113	S118 Y119 A126	S118-K122 WeakPolarHBondContact O-CG 3.41Å; S118-K122 PolarHBondContact O-N 3.37Å; S118-K122 VanDerWaalsContact O-N 3.07Å; S118-K122 WeakPolarHBondContact OG-CE 3.33Å; Y119-K122 PolarHBondContact O-N 2.84Å; K122-A126 WeakPolarHBondContact O-CB 3.26Å; K122-A126 PolarHBondContact O-N 3.19Å
123	M	95.8	Very high	94.1	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-74.1	-37.2	178.1	-166.7	70.4	-154.6	0	0	111.8	L106 V109 R110 Y119 E121 A126 Y127 F150	L106-M123 HydrophobicContact CB-CE 4.46Å; L106-M123 HydrophobicContact CD2-CE 4.26Å; V109-M123 HydrophobicContact CB-SD 4.15Å; V109-M123 HydrophobicContact CG1-SD 3.72Å; R110-M123 HydrophobicContact CB-CE 4.1Å; R110-M123 HydrophobicContact CB-SD 4.16Å; Y119-M123 HydrophobicContact CD2-CB 4.01Å; Y119-M123 HydrophobicContact CE2-CB 3.6Å; Y119-M123 HydrophobicContact CE2-CG 3.78Å; Y119-M123 HydrophobicContact CE2-SD 3.87Å; Y119-M123 VanDerWaalsContact O-CB 3.26Å; Y119-M123 WeakPolarHBondContact O-CB 3.21Å; Y119-M123 PolarHBondContact O-N 2.95Å; E121-M123 VanDerWaalsContact C-N 3.31Å; E121-M123 PolarHBondContact O-N 3.2Å; M123-A126 PolarHBondContact O-N 3.36Å; M123-Y127 HydrophobicContact CE-CD2 4.05Å; M123-Y127 HydrophobicContact CE-CE1 3.98Å; M123-Y127 HydrophobicContact CE-CE2 3.43Å; M123-Y127 VanDerWaalsContact CE-CE2 3.43Å; M123-Y127 HydrophobicContact CG-CD2 4.1Å; M123-Y127 HydrophobicContact CG-CE2 3.73Å; M123-Y127 WeakPolarHBondContact O-CD2 3.39Å; M123-Y127 PolarHBondContact O-N 2.93Å; M123-Y127 HydrophobicContact SD-CE2 4.45Å; M123-F150 HydrophobicContact CB-CE1 4.31Å; M123-F150 HydrophobicContact CB-CE2 3.8Å; M123-F150 HydrophobicContact CB-CZ 3.62Å; M123-F150 HydrophobicContact CG-CD2 4.11Å; M123-F150 HydrophobicContact CG-CE1 4.46Å; M123-F150 HydrophobicContact CG-CE2 3.76Å; M123-F150 HydrophobicContact CG-CZ 3.95Å
124	A	94.3	Very high	94.2	Very high	19 Å²	19	60.5 Å²	60.5	16%	0.157	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-48.1	171.4	0	0	0	0	0	111.3	K120 E121 A126 Y127 D128 Y147 F150	K120-A124 WeakPolarHBondContact O-CB 3.49Å; K120-A124 PolarHBondContact O-N 3.18Å; E121-A124 PolarHBondContact O-N 2.89Å; A124-A126 VanDerWaalsContact C-N 3.3Å; A124-A126 PolarHBondContact O-N 3.45Å; A124-Y127 PolarHBondContact O-N 2.84Å; A124-Y127 VanDerWaalsContact O-N 3.16Å; A124-D128 PolarHBondContact O-N 2.92Å; A124-Y147 HydrophobicContact CB-CE2 4.22Å; A124-F150 HydrophobicContact CB-CE1 4.14Å
125	Q	95.9	Very high	94.4	Very high	105 Å²	105	59 Å²	59	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-56.4	-42	174.7	-70.8	171	2	0	0	112.1	E121 D128 F129	E121-Q125 WeakPolarHBondContact O-CG 3.45Å; E121-Q125 PolarHBondContact O-N 2.83Å; E121-Q125 PolarHBondContact OE1-NE2 3.41Å; E121-Q125 VanDerWaalsContact OE1-NE2 3.16Å; Q125-D128 PolarHBondContact O-N 3.25Å; Q125-F129 WeakPolarHBondContact O-CB 3.33Å; Q125-F129 PolarHBondContact O-N 2.97Å
126	A	96.4	Very high	94.5	Very high	4 Å²	4	51.3 Å²	51.3	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-65	-39.4	177.6	0	0	0	0	0	113	Y105 L106 V109 K122 M123 A124 A130	Y105-A126 HydrophobicContact CE1-CB 4.23Å; L106-A126 HydrophobicContact CD2-CB 4.11Å; V109-A126 HydrophobicContact CG1-CB 4.13Å; V109-A126 HydrophobicContact CG2-CB 4.47Å; K122-A126 WeakPolarHBondContact O-CB 3.26Å; K122-A126 PolarHBondContact O-N 3.19Å; M123-A126 PolarHBondContact O-N 3.36Å; A124-A126 VanDerWaalsContact C-N 3.3Å; A124-A126 PolarHBondContact O-N 3.45Å; A126-A130 WeakPolarHBondContact O-CB 3.41Å; A126-A130 PolarHBondContact O-N 3.37Å
127	Y	97.8	Very high	94.6	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-69.3	-45.4	173.9	-75	-62.4	0	0	0	112.6	L106 R110 M123 A124 F129 A130 L131 I143 D146 Y147 F150	L106-Y127 HydrophobicContact CD1-CD1 3.98Å; L106-Y127 HydrophobicContact CD1-CE1 4.07Å; L106-Y127 HydrophobicContact CD2-CD1 3.82Å; L106-Y127 HydrophobicContact CD2-CE1 4.16Å; L106-Y127 HydrophobicContact CD2-CG 4.37Å; L106-Y127 HydrophobicContact CG-CD1 4.49Å; R110-Y127 PolarHBondContact NH2-OH 2.93Å; M123-Y127 HydrophobicContact CE-CD2 4.05Å; M123-Y127 HydrophobicContact CE-CE1 3.98Å; M123-Y127 HydrophobicContact CE-CE2 3.43Å; M123-Y127 VanDerWaalsContact CE-CE2 3.43Å; M123-Y127 HydrophobicContact CG-CD2 4.1Å; M123-Y127 HydrophobicContact CG-CE2 3.73Å; M123-Y127 WeakPolarHBondContact O-CD2 3.39Å; M123-Y127 PolarHBondContact O-N 2.93Å; M123-Y127 HydrophobicContact SD-CE2 4.45Å; A124-Y127 PolarHBondContact O-N 2.84Å; A124-Y127 VanDerWaalsContact O-N 3.16Å; Y127-F129 VanDerWaalsContact C-N 3.28Å; Y127-F129 PolarHBondContact O-N 3.49Å; Y127-A130 PolarHBondContact O-N 3.07Å; Y127-L131 WeakPolarHBondContact O-CB 3.39Å; Y127-L131 WeakPolarHBondContact O-CG 3.48Å; Y127-L131 PolarHBondContact O-N 3.34Å; Y127-I143 HydrophobicContact CD1-CG2 4.28Å; Y127-D146 HydrophobicContact CE1-CB 3.93Å; Y127-Y147 VanDerWaalsContact CB-CD2 3.48Å; Y127-Y147 VanDerWaalsContact CB-CG 3.45Å; Y127-Y147 HydrophobicContact CD1-CG 4.3Å; Y127-Y147 AromaticContact CD2-CD2 3.32Å; Y127-Y147 HydrophobicContact CD2-CD2 3.32Å; Y127-Y147 HydrophobicContact CD2-CE2 4Å; Y127-Y147 AromaticContact CD2-CG 3.88Å; Y127-Y147 HydrophobicContact CD2-CG 3.88Å; Y127-Y147 HydrophobicContact CE2-CD2 4.11Å; Y127-Y147 HydrophobicContact CG-CD1 4.44Å; Y127-Y147 AromaticContact CG-CD2 3.58Å; Y127-Y147 HydrophobicContact CG-CD2 3.58Å; Y127-Y147 HydrophobicContact CG-CE2 4.3Å; Y127-Y147 AromaticContact CG-CG 3.66Å; Y127-Y147 HydrophobicContact CG-CG 3.66Å; Y127-F150 HydrophobicContact CD2-CD1 4.13Å; Y127-F150 HydrophobicContact CD2-CG 4.42Å; Y127-F150 HydrophobicContact CE2-CB 3.83Å; Y127-F150 AromaticContact CE2-CD1 3.97Å; Y127-F150 HydrophobicContact CE2-CD1 3.97Å; Y127-F150 HydrophobicContact CE2-CD2 4.4Å; Y127-F150 AromaticContact CE2-CG 3.8Å; Y127-F150 HydrophobicContact CE2-CG 3.8Å
128	D	95.9	Very high	94.8	Very high	63 Å²	63	41.9 Å²	41.9	34%	0.337	20%	0.203	S	C	.	.	H	α-helix	trans	-59.2	-42.1	177.6	-79.4	-32.1	0	0	0	111.2	A124 Q125 L131 D132 Y147	A124-D128 PolarHBondContact O-N 2.92Å; Q125-D128 PolarHBondContact O-N 3.25Å; D128-L131 PolarHBondContact O-N 3.48Å; D128-D132 PolarHBondContact O-N 3.02Å; D128-Y147 WeakPolarHBondContact OD1-CE1 3.16Å; D128-Y147 PolarHBondContact OD1-OH 3.32Å; D128-Y147 PolarHBondContact OD2-OH 3.18Å
129	F	96.3	Very high	94.8	Very high	70 Å²	70	43.6 Å²	43.6	31%	0.307	21%	0.208	S	C	.	.	H	α-helix	trans	-63.3	-45.3	174.5	175.9	-120.4	0	0	0	112.7	L93 M94 W102 Y105 Q125 Y127 D132 K133	L93-F129 HydrophobicContact CD2-CE1 4.1Å; M94-F129 HydrophobicContact SD-CE2 3.98Å; M94-F129 HydrophobicContact SD-CZ 3.59Å; M94-F129 VanDerWaalsContact SD-CZ 3.59Å; W102-F129 HydrophobicContact CH2-CD1 4.04Å; W102-F129 AromaticContact CH2-CE1 3.51Å; W102-F129 HydrophobicContact CH2-CE1 3.51Å; W102-F129 HydrophobicContact CH2-CE2 4.4Å; W102-F129 AromaticContact CH2-CZ 3.72Å; W102-F129 HydrophobicContact CH2-CZ 3.72Å; W102-F129 AromaticContact CZ3-CD1 3.66Å; W102-F129 HydrophobicContact CZ3-CD1 3.66Å; W102-F129 AromaticContact CZ3-CE1 3.53Å; W102-F129 HydrophobicContact CZ3-CE1 3.53Å; W102-F129 HydrophobicContact CZ3-CG 4.42Å; W102-F129 HydrophobicContact CZ3-CZ 4.2Å; Y105-F129 HydrophobicContact CE1-CD1 4.3Å; Q125-F129 WeakPolarHBondContact O-CB 3.33Å; Q125-F129 PolarHBondContact O-N 2.97Å; Y127-F129 VanDerWaalsContact C-N 3.28Å; Y127-F129 PolarHBondContact O-N 3.49Å; F129-D132 PolarHBondContact O-N 3.36Å; F129-K133 HydrophobicContact CD2-CG 4.48Å; F129-K133 HydrophobicContact CE2-CG 4.22Å; F129-K133 PolarHBondContact O-N 3.37Å
130	A	96.6	Very high	95	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-43.3	175.1	0	0	0	0	0	111.9	W102 L106 A126 Y127 D132 K133 I134 G135 I143	W102-A130 HydrophobicContact CE3-CB 3.8Å; W102-A130 HydrophobicContact CZ3-CB 4.17Å; L106-A130 HydrophobicContact CD1-CB 3.99Å; L106-A130 HydrophobicContact CD2-CB 4.16Å; L106-A130 HydrophobicContact CG-CB 4.34Å; A126-A130 WeakPolarHBondContact O-CB 3.41Å; A126-A130 PolarHBondContact O-N 3.37Å; Y127-A130 PolarHBondContact O-N 3.07Å; A130-D132 VanDerWaalsContact C-N 3.28Å; A130-D132 PolarHBondContact O-N 2.99Å; A130-K133 PolarHBondContact O-N 3.04Å; A130-I134 HydrophobicContact CB-CG2 4.49Å; A130-I134 VanDerWaalsContact O-CG2 3.27Å; A130-I134 WeakPolarHBondContact O-CG2 3.48Å; A130-I134 PolarHBondContact O-N 3.06Å; A130-G135 PolarHBondContact O-N 3.19Å; A130-I143 HydrophobicContact CB-CG2 4.4Å
131	L	95.9	Very high	95.3	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-69.8	-22.6	178.6	-68	179.9	0	0	0	113.4	Y127 D128 G135 I143 W144 Y147 V172 R175	Y127-L131 WeakPolarHBondContact O-CB 3.39Å; Y127-L131 WeakPolarHBondContact O-CG 3.48Å; Y127-L131 PolarHBondContact O-N 3.34Å; D128-L131 PolarHBondContact O-N 3.48Å; L131-G135 WeakPolarHBondContact O-CA 3.45Å; L131-G135 PolarHBondContact O-N 2.91Å; L131-I143 HydrophobicContact CD2-CB 4.19Å; L131-I143 HydrophobicContact CD2-CG2 3.63Å; L131-I143 HydrophobicContact CG-CG2 4.12Å; L131-W144 HydrophobicContact CB-CH2 4.48Å; L131-W144 HydrophobicContact CD1-CD2 4.13Å; L131-W144 HydrophobicContact CD1-CE3 3.74Å; L131-W144 HydrophobicContact CD1-CH2 4.24Å; L131-W144 HydrophobicContact CD1-CZ3 3.8Å; L131-W144 HydrophobicContact CD2-CD2 3.66Å; L131-W144 HydrophobicContact CD2-CE3 4.13Å; L131-W144 HydrophobicContact CD2-CG 4.02Å; L131-W144 HydrophobicContact CD2-CH2 4.27Å; L131-W144 HydrophobicContact CD2-CZ2 3.85Å; L131-W144 HydrophobicContact CD2-CZ3 4.41Å; L131-Y147 HydrophobicContact CD1-CD1 3.65Å; L131-Y147 HydrophobicContact CD1-CE1 4.26Å; L131-V172 HydrophobicContact CD1-CG1 4.46Å; L131-R175 PolarHBondContact O-NH2 2.95Å
132	D	94.8	Very high	95.5	Very high	83 Å²	83	36.9 Å²	36.9	44%	0.444	18%	0.178	S	C	.	.	H	α-helix	trans	-72.5	-37.3	169.4	-168.8	65.2	0	0	0	113.2	D128 F129 A130	D128-D132 PolarHBondContact O-N 3.02Å; F129-D132 PolarHBondContact O-N 3.36Å; A130-D132 VanDerWaalsContact C-N 3.28Å; A130-D132 PolarHBondContact O-N 2.99Å
133	K	93.6	Very high	95.6	Very high	74 Å²	74	32.6 Å²	32.6	32%	0.322	16%	0.16	S	C	.	.	H	α-helix	trans	-96.4	-42.1	-174.3	-60.2	-48.9	-178.7	-147.4	0	115.5	L97 W102 F129 A130	L97-K133 HydrophobicContact CD2-CB 4.23Å; W102-K133 HydrophobicContact CH2-CB 3.65Å; W102-K133 HydrophobicContact CH2-CG 3.78Å; W102-K133 HydrophobicContact CZ2-CB 3.68Å; W102-K133 HydrophobicContact CZ2-CG 4.14Å; W102-K133 HydrophobicContact CZ3-CB 4.34Å; F129-K133 HydrophobicContact CD2-CG 4.48Å; F129-K133 HydrophobicContact CE2-CG 4.22Å; F129-K133 PolarHBondContact O-N 3.37Å; A130-K133 PolarHBondContact O-N 3.04Å
134	I	95.3	Very high	95.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118	-0	-177.2	-158.5	62.1	0	0	0	112.9	L97 I99 W102 A130 M136 E137 I143 F279	L97-I134 HydrophobicContact CB-CD1 4.12Å; L97-I134 WeakPolarHBondContact O-CD1 3.43Å; I99-I134 HydrophobicContact CB-CG1 4.5Å; I99-I134 HydrophobicContact CD1-CG1 3.92Å; W102-I134 HydrophobicContact CB-CB 4.39Å; W102-I134 HydrophobicContact CB-CG2 3.7Å; W102-I134 HydrophobicContact CD2-CB 4.28Å; W102-I134 HydrophobicContact CD2-CG2 4Å; W102-I134 HydrophobicContact CE3-CG2 4.37Å; W102-I134 HydrophobicContact CG-CB 3.98Å; W102-I134 HydrophobicContact CG-CG1 4.3Å; W102-I134 HydrophobicContact CG-CG2 3.69Å; A130-I134 HydrophobicContact CB-CG2 4.49Å; A130-I134 VanDerWaalsContact O-CG2 3.27Å; A130-I134 WeakPolarHBondContact O-CG2 3.48Å; A130-I134 PolarHBondContact O-N 3.06Å; I134-M136 PolarHBondContact O-N 3.01Å; I134-E137 HydrophobicContact CD1-CB 3.92Å; I134-E137 HydrophobicContact CD1-CG 4.09Å; I134-E137 HydrophobicContact CG1-CB 4.01Å; I134-E137 HydrophobicContact CG1-CG 4.47Å; I134-E137 WeakPolarHBondContact O-CB 3.16Å; I134-E137 PolarHBondContact O-N 3.37Å; I134-E137 VanDerWaalsContact O-N 3.07Å; I134-I143 HydrophobicContact CG2-CD1 3.81Å; I134-F279 HydrophobicContact CD1-CE2 4Å; I134-F279 HydrophobicContact CD1-CZ 3.98Å
135	G	93.8	Very high	95.9	Very high	2 Å²	2	33 Å²	33	2%	0.021	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.8	-179.2	0	0	0	0	0	114.5	A130 L131 E137 S140 N179	A130-G135 PolarHBondContact O-N 3.19Å; L131-G135 WeakPolarHBondContact O-CA 3.45Å; L131-G135 PolarHBondContact O-N 2.91Å; G135-E137 VanDerWaalsContact C-N 3.27Å; G135-E137 PolarHBondContact O-N 3.33Å; G135-S140 PolarHBondContact O-OG 3.34Å; G135-N179 PolarHBondContact O-ND2 3.35Å
136	M	94	Very high	96	Very high	43 Å²	43	29.9 Å²	29.9	21%	0.212	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-6.2	177.2	-56.7	-175.8	-146.7	0	0	113.9	I134 K275 R276 F279	I134-M136 PolarHBondContact O-N 3.01Å; M136-K275 HydrophobicContact CE-CB 4.33Å; M136-R276 HydrophobicContact SD-CG 3.98Å; M136-F279 HydrophobicContact CB-CD1 4.16Å; M136-F279 HydrophobicContact CB-CD2 4.44Å; M136-F279 HydrophobicContact CB-CE1 4.38Å; M136-F279 HydrophobicContact CB-CG 4.21Å; M136-F279 HydrophobicContact SD-CB 4.46Å
137	E	94.8	Very high	96.1	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	15%	0.147	C	C	.	.	S	Bend	trans	-72.1	143.1	-177.8	-160.2	-81.6	138.2	0	0	111.6	I99 I134 G135 M139 S140 R233 F279	I99-E137 HydrophobicContact CB-CG 4.2Å; I99-E137 WeakPolarHBondContact CB-OE2 3.49Å; I99-E137 WeakPolarHBondContact CD1-OE2 3.46Å; I99-E137 VanDerWaalsContact CG1-OE2 3.24Å; I99-E137 WeakPolarHBondContact CG1-OE2 3.32Å; I134-E137 HydrophobicContact CD1-CB 3.92Å; I134-E137 HydrophobicContact CD1-CG 4.09Å; I134-E137 HydrophobicContact CG1-CB 4.01Å; I134-E137 HydrophobicContact CG1-CG 4.47Å; I134-E137 WeakPolarHBondContact O-CB 3.16Å; I134-E137 PolarHBondContact O-N 3.37Å; I134-E137 VanDerWaalsContact O-N 3.07Å; G135-E137 VanDerWaalsContact C-N 3.27Å; G135-E137 PolarHBondContact O-N 3.33Å; E137-M139 VanDerWaalsContact C-N 3.3Å; E137-M139 VanDerWaalsContact CD-N 3.27Å; E137-M139 PolarHBondContact O-N 3.41Å; E137-M139 PolarHBondContact OE1-N 3.03Å; E137-M139 WeakPolarHBondContact OE2-CA 3.24Å; E137-M139 WeakPolarHBondContact OE2-CB 3.46Å; E137-M139 PolarHBondContact OE2-N 3.34Å; E137-S140 WeakPolarHBondContact O-CB 3.45Å; E137-S140 PolarHBondContact O-N 3.28Å; E137-S140 PolarHBondContact O-OG 2.92Å; E137-S140 PolarHBondContact OE2-N 2.88Å; E137-R233 IonicContact OE1-NH1 2.7Å; E137-R233 PolarHBondContact OE1-NH1 2.88Å; E137-F279 HydrophobicContact CB-CE1 4.2Å; E137-F279 HydrophobicContact CB-CZ 3.7Å; E137-F279 HydrophobicContact CG-CE1 4.49Å; E137-F279 HydrophobicContact CG-CZ 4.06Å
138	I	94.6	Very high	96	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.021	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-27.9	-171.1	-160.1	174.2	0	0	0	114.1	I182 Y224 E225 M228	I138-I182 HydrophobicContact CD1-CD1 4.12Å; I138-I182 HydrophobicContact CD1-CG1 4.27Å; I138-I182 HydrophobicContact CG1-CD1 3.92Å; I138-I182 HydrophobicContact CG1-CG1 3.96Å; I138-I182 PolarHBondContact O-N 2.95Å; I138-Y224 HydrophobicContact CB-CD1 3.99Å; I138-Y224 HydrophobicContact CB-CE1 3.54Å; I138-Y224 HydrophobicContact CD1-CD1 3.81Å; I138-Y224 HydrophobicContact CD1-CD2 4.46Å; I138-Y224 HydrophobicContact CD1-CE1 4.21Å; I138-Y224 HydrophobicContact CD1-CG 3.94Å; I138-Y224 HydrophobicContact CG1-CD1 3.75Å; I138-Y224 HydrophobicContact CG1-CE1 3.87Å; I138-Y224 HydrophobicContact CG1-CG 4.4Å; I138-E225 HydrophobicContact CD1-CB 4.17Å; I138-M228 HydrophobicContact CD1-CB 4.07Å; I138-M228 HydrophobicContact CD1-CG 4Å; I138-M228 HydrophobicContact CG2-CE 3.98Å; I138-M228 HydrophobicContact CG2-CG 4.45Å
139	M	94.7	Very high	96.1	Very high	79 Å²	79	31.4 Å²	31.4	39%	0.389	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	16.4	176.1	-51.4	-66.5	-60.8	0	0	113.1	I99 K103 E137 Y141 I182	I99-M139 HydrophobicContact CG1-CB 4.43Å; K103-M139 PolarHBondContact NZ-O 3Å; K103-M139 VanDerWaalsContact NZ-O 3.11Å; E137-M139 VanDerWaalsContact C-N 3.3Å; E137-M139 VanDerWaalsContact CD-N 3.27Å; E137-M139 PolarHBondContact O-N 3.41Å; E137-M139 PolarHBondContact OE1-N 3.03Å; E137-M139 WeakPolarHBondContact OE2-CA 3.24Å; E137-M139 WeakPolarHBondContact OE2-CB 3.46Å; E137-M139 PolarHBondContact OE2-N 3.34Å; M139-Y141 VanDerWaalsContact C-N 3.31Å; M139-Y141 PolarHBondContact O-N 3.24Å; M139-I182 HydrophobicContact SD-CD1 3.49Å; M139-I182 WeakPolarHBondContact SD-CD1 3.36Å
140	S	96.3	Very high	96.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.9	-178.6	66.5	0	0	0	0	114.6	G135 E137 Q142 I143 W144	G135-S140 PolarHBondContact O-OG 3.34Å; E137-S140 WeakPolarHBondContact O-CB 3.45Å; E137-S140 PolarHBondContact O-N 3.28Å; E137-S140 PolarHBondContact O-OG 2.92Å; E137-S140 PolarHBondContact OE2-N 2.88Å; S140-Q142 PolarHBondContact O-N 3.29Å; S140-I143 WeakPolarHBondContact O-CB 3.36Å; S140-I143 PolarHBondContact O-N 3.23Å; S140-W144 PolarHBondContact OG-NE1 3.31Å
141	Y	97.3	Very high	96.1	Very high	34 Å²	34	30.2 Å²	30.2	13%	0.133	15%	0.149	C	C	.	.	H	α-helix	trans	-39.2	-46.2	-177.2	170.9	-99.7	0	0	0	114.9	M139 I143 W144 V145 I182 N183 Q186 L187	M139-Y141 VanDerWaalsContact C-N 3.31Å; M139-Y141 PolarHBondContact O-N 3.24Å; Y141-I143 VanDerWaalsContact C-N 3.27Å; Y141-I143 PolarHBondContact O-N 3.02Å; Y141-W144 WeakPolarHBondContact O-CB 3.41Å; Y141-W144 PolarHBondContact O-N 3.43Å; Y141-V145 HydrophobicContact CD1-CG2 4.36Å; Y141-V145 HydrophobicContact CD2-CG2 4.28Å; Y141-V145 HydrophobicContact CE1-CG2 3.83Å; Y141-V145 HydrophobicContact CE2-CG2 3.75Å; Y141-V145 VanDerWaalsContact CZ-CG2 3.49Å; Y141-V145 PolarHBondContact O-N 3.23Å; Y141-V145 VanDerWaalsContact O-N 3.11Å; Y141-I182 WeakPolarHBondContact CB-O 3.45Å; Y141-N183 HydrophobicContact CD1-CB 4.03Å; Y141-N183 HydrophobicContact CD2-CB 3.58Å; Y141-N183 HydrophobicContact CE1-CB 4.12Å; Y141-N183 HydrophobicContact CE2-CB 3.67Å; Y141-N183 WeakPolarHBondContact CE2-O 3.4Å; Y141-N183 HydrophobicContact CG-CB 3.77Å; Y141-Q186 HydrophobicContact CE2-CB 4.46Å; Y141-Q186 VanDerWaalsContact OH-CG 3.3Å; Y141-Q186 WeakPolarHBondContact OH-CG 3.44Å; Y141-L187 HydrophobicContact CE2-CB 4.21Å
142	Q	97.2	Very high	96.1	Very high	91 Å²	91	33.3 Å²	33.3	43%	0.425	16%	0.162	S	C	.	.	H	α-helix	trans	-63.3	-31.9	-178.5	-166.2	61.5	46.7	0	0	113	S140 V145 D146	S140-Q142 PolarHBondContact O-N 3.29Å; Q142-V145 PolarHBondContact O-N 3.03Å; Q142-D146 PolarHBondContact NE2-OD1 2.68Å; Q142-D146 VanDerWaalsContact O-CB 3.25Å; Q142-D146 WeakPolarHBondContact O-CB 3.49Å; Q142-D146 PolarHBondContact O-N 3.18Å
143	I	97.6	Very high	96	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.015	17%	0.173	C	C	.	.	H	α-helix	trans	-67	-40.6	177.6	-57.2	178.1	0	0	0	110.2	I99 K103 L106 Y127 A130 L131 I134 S140 Y141 Y147	I99-I143 HydrophobicContact CD1-CD1 3.7Å; K103-I143 HydrophobicContact CG-CD1 4.28Å; K103-I143 HydrophobicContact CG-CG1 4.22Å; L106-I143 HydrophobicContact CD1-CB 4.49Å; L106-I143 HydrophobicContact CD1-CD1 4.31Å; L106-I143 HydrophobicContact CD1-CG1 4.17Å; L106-I143 HydrophobicContact CD1-CG2 3.69Å; Y127-I143 HydrophobicContact CD1-CG2 4.28Å; A130-I143 HydrophobicContact CB-CG2 4.4Å; L131-I143 HydrophobicContact CD2-CB 4.19Å; L131-I143 HydrophobicContact CD2-CG2 3.63Å; L131-I143 HydrophobicContact CG-CG2 4.12Å; I134-I143 HydrophobicContact CG2-CD1 3.81Å; S140-I143 WeakPolarHBondContact O-CB 3.36Å; S140-I143 PolarHBondContact O-N 3.23Å; Y141-I143 VanDerWaalsContact C-N 3.27Å; Y141-I143 PolarHBondContact O-N 3.02Å; I143-Y147 WeakPolarHBondContact O-CB 3.45Å; I143-Y147 PolarHBondContact O-N 3.06Å
144	W	97.8	Very high	95.9	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.015	17%	0.169	C	C	.	.	H	α-helix	trans	-61.7	-48.9	174.6	-64.1	94	0	0	0	111.5	L131 S140 Y141 Y147 I148 V172 R175 N179 M181	L131-W144 HydrophobicContact CB-CH2 4.48Å; L131-W144 HydrophobicContact CD1-CD2 4.13Å; L131-W144 HydrophobicContact CD1-CE3 3.74Å; L131-W144 HydrophobicContact CD1-CH2 4.24Å; L131-W144 HydrophobicContact CD1-CZ3 3.8Å; L131-W144 HydrophobicContact CD2-CD2 3.66Å; L131-W144 HydrophobicContact CD2-CE3 4.13Å; L131-W144 HydrophobicContact CD2-CG 4.02Å; L131-W144 HydrophobicContact CD2-CH2 4.27Å; L131-W144 HydrophobicContact CD2-CZ2 3.85Å; L131-W144 HydrophobicContact CD2-CZ3 4.41Å; S140-W144 PolarHBondContact OG-NE1 3.31Å; Y141-W144 WeakPolarHBondContact O-CB 3.41Å; Y141-W144 PolarHBondContact O-N 3.43Å; W144-Y147 PolarHBondContact O-N 2.77Å; W144-I148 WeakPolarHBondContact O-CB 3.09Å; W144-I148 WeakPolarHBondContact O-CD1 3.48Å; W144-I148 VanDerWaalsContact O-CG1 3.24Å; W144-I148 WeakPolarHBondContact O-CG1 3.36Å; W144-I148 PolarHBondContact O-N 2.95Å; W144-V172 HydrophobicContact CE3-CG1 3.84Å; W144-V172 HydrophobicContact CZ3-CG1 4.22Å; W144-R175 HydrophobicContact CH2-CB 4.22Å; W144-R175 HydrophobicContact CH2-CG 3.74Å; W144-R175 HydrophobicContact CZ3-CB 3.99Å; W144-R175 HydrophobicContact CZ3-CG 4.01Å; W144-N179 HydrophobicContact CZ2-CB 4.41Å; W144-M181 HydrophobicContact CD2-CE 4.45Å; W144-M181 HydrophobicContact CG-CE 4.11Å; W144-M181 HydrophobicContact CG-SD 4.34Å
145	V	97.7	Very high	95.7	Very high	24 Å²	24	37.6 Å²	37.6	15%	0.145	20%	0.201	C	C	.	.	H	α-helix	trans	-65.1	-44.2	-179.8	174.2	0	0	0	0	111.8	Y141 Q142 Y147 I148 N149	Y141-V145 HydrophobicContact CD1-CG2 4.36Å; Y141-V145 HydrophobicContact CD2-CG2 4.28Å; Y141-V145 HydrophobicContact CE1-CG2 3.83Å; Y141-V145 HydrophobicContact CE2-CG2 3.75Å; Y141-V145 VanDerWaalsContact CZ-CG2 3.49Å; Y141-V145 PolarHBondContact O-N 3.23Å; Y141-V145 VanDerWaalsContact O-N 3.11Å; Q142-V145 PolarHBondContact O-N 3.03Å; V145-Y147 VanDerWaalsContact C-N 3.3Å; V145-Y147 PolarHBondContact O-N 2.05Å; V145-I148 PolarHBondContact O-N 3.05Å; V145-N149 WeakPolarHBondContact CG1-ND2 3.42Å; V145-N149 WeakPolarHBondContact O-CB 3.24Å; V145-N149 VanDerWaalsContact O-CG 3.25Å; V145-N149 PolarHBondContact O-N 3.23Å; V145-N149 PolarHBondContact O-ND2 2.94Å
146	D	97.4	Very high	95.5	Very high	40 Å²	40	38.7 Å²	38.7	21%	0.214	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-39.7	176.5	-84.1	21.9	0	0	0	111.7	R110 Y127 Q142 F150	R110-D146 IonicContact CZ-OD2 3.62Å; R110-D146 IonicContact NH1-OD2 2.61Å; R110-D146 IonicContact NH2-OD2 3.64Å; R110-D146 PolarHBondContact NH2-OD2 3.05Å; Y127-D146 HydrophobicContact CE1-CB 3.93Å; Q142-D146 PolarHBondContact NE2-OD1 2.68Å; Q142-D146 VanDerWaalsContact O-CB 3.25Å; Q142-D146 WeakPolarHBondContact O-CB 3.49Å; Q142-D146 PolarHBondContact O-N 3.18Å; D146-F150 WeakPolarHBondContact O-CB 3.48Å; D146-F150 PolarHBondContact O-N 3.2Å
147	Y	98	Very high	95.4	Very high	12 Å²	12	42.5 Å²	42.5	5%	0.047	24%	0.235	C	C	.	.	H	α-helix	trans	-70.2	-43.7	176.2	-173.1	-156.9	0	0	0	112.5	A124 Y127 D128 L131 I143 W144 V145 N149 F150 L151 V172	A124-Y147 HydrophobicContact CB-CE2 4.22Å; Y127-Y147 VanDerWaalsContact CB-CD2 3.48Å; Y127-Y147 VanDerWaalsContact CB-CG 3.45Å; Y127-Y147 HydrophobicContact CD1-CG 4.3Å; Y127-Y147 AromaticContact CD2-CD2 3.32Å; Y127-Y147 HydrophobicContact CD2-CD2 3.32Å; Y127-Y147 HydrophobicContact CD2-CE2 4Å; Y127-Y147 AromaticContact CD2-CG 3.88Å; Y127-Y147 HydrophobicContact CD2-CG 3.88Å; Y127-Y147 HydrophobicContact CE2-CD2 4.11Å; Y127-Y147 HydrophobicContact CG-CD1 4.44Å; Y127-Y147 AromaticContact CG-CD2 3.58Å; Y127-Y147 HydrophobicContact CG-CD2 3.58Å; Y127-Y147 HydrophobicContact CG-CE2 4.3Å; Y127-Y147 AromaticContact CG-CG 3.66Å; Y127-Y147 HydrophobicContact CG-CG 3.66Å; D128-Y147 WeakPolarHBondContact OD1-CE1 3.16Å; D128-Y147 PolarHBondContact OD1-OH 3.32Å; D128-Y147 PolarHBondContact OD2-OH 3.18Å; L131-Y147 HydrophobicContact CD1-CD1 3.65Å; L131-Y147 HydrophobicContact CD1-CE1 4.26Å; I143-Y147 WeakPolarHBondContact O-CB 3.45Å; I143-Y147 PolarHBondContact O-N 3.06Å; W144-Y147 PolarHBondContact O-N 2.77Å; V145-Y147 VanDerWaalsContact C-N 3.3Å; V145-Y147 PolarHBondContact O-N 2.05Å; Y147-N149 VanDerWaalsContact C-N 3.35Å; Y147-N149 PolarHBondContact O-N 3.38Å; Y147-F150 HydrophobicContact CD2-CD1 4.01Å; Y147-F150 HydrophobicContact CE2-CD1 4.22Å; Y147-F150 WeakPolarHBondContact O-CB 3.48Å; Y147-F150 PolarHBondContact O-N 2.95Å; Y147-L151 HydrophobicContact CD2-CD1 4.02Å; Y147-L151 HydrophobicContact CD2-CD2 4.42Å; Y147-L151 HydrophobicContact CD2-CG 3.82Å; Y147-L151 HydrophobicContact CE1-CD1 4.32Å; Y147-L151 HydrophobicContact CE2-CD1 3.7Å; Y147-L151 HydrophobicContact CE2-CD2 3.75Å; Y147-L151 HydrophobicContact CE2-CG 3.58Å; Y147-L151 HydrophobicContact CG-CD1 4.46Å; Y147-L151 WeakPolarHBondContact O-CG 3.2Å; Y147-L151 PolarHBondContact O-N 3.4Å; Y147-V172 HydrophobicContact CD1-CB 4.39Å; Y147-V172 HydrophobicContact CD1-CG1 3.78Å; Y147-V172 HydrophobicContact CD1-CG2 3.63Å; Y147-V172 HydrophobicContact CE1-CG1 4.39Å; Y147-V172 HydrophobicContact CE1-CG2 3.43Å; Y147-V172 VanDerWaalsContact CE1-CG2 3.43Å
148	I	97.8	Very high	95.3	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-59.7	-45.7	176.4	-73.3	162.6	0	0	0	110.9	W144 V145 L151 K152 V169 V172 Y173 L187	W144-I148 WeakPolarHBondContact O-CB 3.09Å; W144-I148 WeakPolarHBondContact O-CD1 3.48Å; W144-I148 VanDerWaalsContact O-CG1 3.24Å; W144-I148 WeakPolarHBondContact O-CG1 3.36Å; W144-I148 PolarHBondContact O-N 2.95Å; V145-I148 PolarHBondContact O-N 3.05Å; I148-L151 PolarHBondContact O-N 2.89Å; I148-K152 HydrophobicContact CG2-CD 4.15Å; I148-K152 WeakPolarHBondContact O-CG 3.39Å; I148-K152 PolarHBondContact O-N 3.41Å; I148-V169 HydrophobicContact CG2-CG1 4.3Å; I148-V172 HydrophobicContact CD1-CG1 4.1Å; I148-V172 HydrophobicContact CG1-CB 4.1Å; I148-V172 HydrophobicContact CG1-CG1 3.65Å; I148-Y173 HydrophobicContact CD1-CD1 3.75Å; I148-Y173 HydrophobicContact CD1-CD2 4.44Å; I148-Y173 HydrophobicContact CD1-CE1 3.77Å; I148-Y173 HydrophobicContact CD1-CE2 4.44Å; I148-Y173 HydrophobicContact CD1-CG 4.11Å; I148-Y173 HydrophobicContact CG2-CE1 4.38Å; I148-Y173 HydrophobicContact CG2-CE2 3.75Å; I148-L187 HydrophobicContact CD1-CD1 3.61Å
149	N	97.5	Very high	95.2	Very high	88 Å²	88	49.2 Å²	49.2	47%	0.471	29%	0.29	S	S	.	.	H	α-helix	trans	-66.7	-39.3	178.4	-71.2	-20.1	0	0	0	111.6	V145 Y147 K152 G153	V145-N149 WeakPolarHBondContact CG1-ND2 3.42Å; V145-N149 WeakPolarHBondContact O-CB 3.24Å; V145-N149 VanDerWaalsContact O-CG 3.25Å; V145-N149 PolarHBondContact O-N 3.23Å; V145-N149 PolarHBondContact O-ND2 2.94Å; Y147-N149 VanDerWaalsContact C-N 3.35Å; Y147-N149 PolarHBondContact O-N 3.38Å; N149-K152 PolarHBondContact O-N 3.13Å; N149-G153 PolarHBondContact O-N 3.23Å
150	F	96.6	Very high	95.1	Very high	29 Å²	29	54.4 Å²	54.4	13%	0.127	31%	0.307	C	S	.	.	H	α-helix	trans	-59.5	-48.3	172.4	168.2	-96.4	0	0	0	112.1	Y119 K120 M123 A124 Y127 D146 Y147 K152 G153 V154	Y119-F150 AromaticContact CE1-CE2 3.96Å; Y119-F150 HydrophobicContact CE1-CE2 3.96Å; K120-F150 WeakPolarHBondContact O-CZ 3.5Å; M123-F150 HydrophobicContact CB-CE1 4.31Å; M123-F150 HydrophobicContact CB-CE2 3.8Å; M123-F150 HydrophobicContact CB-CZ 3.62Å; M123-F150 HydrophobicContact CG-CD2 4.11Å; M123-F150 HydrophobicContact CG-CE1 4.46Å; M123-F150 HydrophobicContact CG-CE2 3.76Å; M123-F150 HydrophobicContact CG-CZ 3.95Å; A124-F150 HydrophobicContact CB-CE1 4.14Å; Y127-F150 HydrophobicContact CD2-CD1 4.13Å; Y127-F150 HydrophobicContact CD2-CG 4.42Å; Y127-F150 HydrophobicContact CE2-CB 3.83Å; Y127-F150 AromaticContact CE2-CD1 3.97Å; Y127-F150 HydrophobicContact CE2-CD1 3.97Å; Y127-F150 HydrophobicContact CE2-CD2 4.4Å; Y127-F150 AromaticContact CE2-CG 3.8Å; Y127-F150 HydrophobicContact CE2-CG 3.8Å; D146-F150 WeakPolarHBondContact O-CB 3.48Å; D146-F150 PolarHBondContact O-N 3.2Å; Y147-F150 HydrophobicContact CD2-CD1 4.01Å; Y147-F150 HydrophobicContact CE2-CD1 4.22Å; Y147-F150 WeakPolarHBondContact O-CB 3.48Å; Y147-F150 PolarHBondContact O-N 2.95Å; F150-K152 PolarHBondContact O-N 3.26Å; F150-G153 CarbonylContact O-C 3.41Å; F150-G153 PolarHBondContact O-N 3.17Å; F150-G153 VanDerWaalsContact O-N 3.14Å; F150-V154 PolarHBondContact O-N 3.15Å
151	L	96	Very high	94.9	Very high	17 Å²	17	55.8 Å²	55.8	9%	0.089	32%	0.318	C	S	.	.	H	α-helix	trans	-64.2	-38.8	178.3	-71.7	176.5	0	0	0	112.6	Y147 I148 G153 V154 R165 A168 V169 V172	Y147-L151 HydrophobicContact CD2-CD1 4.02Å; Y147-L151 HydrophobicContact CD2-CD2 4.42Å; Y147-L151 HydrophobicContact CD2-CG 3.82Å; Y147-L151 HydrophobicContact CE1-CD1 4.32Å; Y147-L151 HydrophobicContact CE2-CD1 3.7Å; Y147-L151 HydrophobicContact CE2-CD2 3.75Å; Y147-L151 HydrophobicContact CE2-CG 3.58Å; Y147-L151 HydrophobicContact CG-CD1 4.46Å; Y147-L151 WeakPolarHBondContact O-CG 3.2Å; Y147-L151 PolarHBondContact O-N 3.4Å; I148-L151 PolarHBondContact O-N 2.89Å; L151-G153 VanDerWaalsContact C-N 3.31Å; L151-V154 WeakPolarHBondContact O-CB 3.36Å; L151-V154 PolarHBondContact O-N 2.83Å; L151-R165 WeakPolarHBondContact O-CD 3.17Å; L151-A168 HydrophobicContact CD1-CB 4.29Å; L151-A168 HydrophobicContact CD2-CB 4.43Å; L151-V169 HydrophobicContact CB-CG2 3.6Å; L151-V169 HydrophobicContact CD1-CG2 4.49Å; L151-V172 HydrophobicContact CD1-CG2 3.66Å
152	K	94.9	Very high	94.6	Very high	68 Å²	68	56.9 Å²	56.9	30%	0.296	33%	0.325	S	S	.	.	H	α-helix	trans	-63.9	-36.3	172.3	-72.4	173.9	-177.4	176.8	0	112.2	I148 N149 F150 V154 R165 V169 Y173	I148-K152 HydrophobicContact CG2-CD 4.15Å; I148-K152 WeakPolarHBondContact O-CG 3.39Å; I148-K152 PolarHBondContact O-N 3.41Å; N149-K152 PolarHBondContact O-N 3.13Å; F150-K152 PolarHBondContact O-N 3.26Å; K152-V154 VanDerWaalsContact C-N 3.26Å; K152-V154 PolarHBondContact O-N 3.01Å; K152-R165 PolarHBondContact O-NH1 3.43Å; K152-V169 HydrophobicContact CG-CG1 4.27Å; K152-V169 HydrophobicContact CG-CG2 4.01Å; K152-Y173 PolarHBondContact NZ-OH 3.27Å
153	G	93.1	Very high	94.5	Very high	65 Å²	65	57 Å²	57	67%	0.67	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-7.1	176	0	0	0	0	0	115	N149 F150 L151 E155	N149-G153 PolarHBondContact O-N 3.23Å; F150-G153 CarbonylContact O-C 3.41Å; F150-G153 PolarHBondContact O-N 3.17Å; F150-G153 VanDerWaalsContact O-N 3.14Å; L151-G153 VanDerWaalsContact C-N 3.31Å; G153-E155 PolarHBondContact O-N 3.29Å
154	V	92.3	Very high	94.3	Very high	38 Å²	38	62.9 Å²	62.9	23%	0.23	36%	0.356	C	S	.	.	S	Bend	trans	-69.2	113.7	170.8	175.9	0	0	0	0	108.8	K120 F150 L151 K152 A156 R165	K120-V154 HydrophobicContact CD-CG1 4.2Å; F150-V154 PolarHBondContact O-N 3.15Å; L151-V154 WeakPolarHBondContact O-CB 3.36Å; L151-V154 PolarHBondContact O-N 2.83Å; K152-V154 VanDerWaalsContact C-N 3.26Å; K152-V154 PolarHBondContact O-N 3.01Å; V154-A156 PolarHBondContact O-N 3.48Å; V154-R165 VanDerWaalsContact O-CD 3.23Å; V154-R165 WeakPolarHBondContact O-CD 3.36Å; V154-R165 PolarHBondContact O-NH1 2.74Å
155	E	90.1	Very high	94.1	Very high	145 Å²	145	65.9 Å²	65.9	68%	0.678	37%	0.367	S	S	*	.			trans	-56	126.9	168.1	-176.7	-178	-156.8	0	0	110.7	G153 V157	G153-E155 PolarHBondContact O-N 3.29Å; E155-V157 HydrophobicContact CG-CG2 4.42Å
156	A	90.4	Very high	94	Very high	25 Å²	25	65.5 Å²	65.5	21%	0.207	36%	0.364	C	S	.	.			trans	-131.6	126.3	179.2	0	0	0	0	0	108.2	V154 A161 R165	V154-A156 PolarHBondContact O-N 3.48Å; A156-A161 HydrophobicContact CB-CB 3.88Å; A156-R165 HydrophobicContact CB-CB 4.47Å
157	V	90.5	Very high	93.9	Very high	122 Å²	122	67.1 Å²	67.1	74%	0.739	38%	0.375	S	S	*	.			trans	-114.9	124.1	-177.5	-177.4	0	0	0	0	109.1	E155	E155-V157 HydrophobicContact CG-CG2 4.42Å
158	G	93	Very high	93.8	Very high	50 Å²	50	68 Å²	68	52%	0.515	39%	0.385	S	S	.	.	S	Bend	trans	81.9	157.6	-177.2	0	0	0	0	0	114.4	Y160 A161 E162	G158-Y160 VanDerWaalsContact C-N 3.27Å; G158-Y160 PolarHBondContact O-N 3.06Å; G158-Y160 VanDerWaalsContact O-N 3.15Å; G158-A161 PolarHBondContact O-N 3.43Å; G158-E162 PolarHBondContact O-N 3.25Å; G158-E162 VanDerWaalsContact O-N 3.13Å
159	S	92.1	Very high	93.7	Very high	97 Å²	97	68 Å²	68	68%	0.678	39%	0.385	S	S	*	.	H	α-helix	trans	-62.6	-26.1	-167.6	-43.4	0	0	0	0	114.9	N163	S159-N163 WeakPolarHBondContact O-CB 3.46Å; S159-N163 PolarHBondContact O-N 3.39Å; S159-N163 VanDerWaalsContact O-N 3.17Å; S159-N163 PolarHBondContact O-ND2 3.25Å
160	Y	93.4	Very high	93.7	Very high	189 Å²	189	66.3 Å²	66.3	74%	0.741	37%	0.372	S	S	*	.	H	α-helix	trans	-70.9	-50.1	176.6	179.6	-94.2	0	0	0	111.7	G158 E162 N163 Q164	G158-Y160 VanDerWaalsContact C-N 3.27Å; G158-Y160 PolarHBondContact O-N 3.06Å; G158-Y160 VanDerWaalsContact O-N 3.15Å; Y160-E162 VanDerWaalsContact C-N 3.3Å; Y160-E162 PolarHBondContact O-N 2.69Å; Y160-N163 PolarHBondContact O-N 3.08Å; Y160-Q164 PolarHBondContact O-N 3.48Å
161	A	92	Very high	93.7	Very high	28 Å²	28	73.3 Å²	73.3	23%	0.231	40%	0.398	C	S	.	.	H	α-helix	trans	-63.4	-37.7	178.3	0	0	0	0	0	111.4	A156 G158 Q164 R165	A156-A161 HydrophobicContact CB-CB 3.88Å; G158-A161 PolarHBondContact O-N 3.43Å; A161-Q164 WeakPolarHBondContact O-CB 3.43Å; A161-Q164 PolarHBondContact O-N 2.81Å; A161-R165 PolarHBondContact O-N 3.41Å
162	E	92.1	Very high	93.8	Very high	58 Å²	58	72.8 Å²	72.8	27%	0.271	40%	0.395	S	S	.	.	H	α-helix	trans	-62.2	-45.8	175.4	-169.6	57	-135.4	0	0	111.9	G158 Y160 Q164 R165 I166	G158-E162 PolarHBondContact O-N 3.25Å; G158-E162 VanDerWaalsContact O-N 3.13Å; Y160-E162 VanDerWaalsContact C-N 3.3Å; Y160-E162 PolarHBondContact O-N 2.69Å; E162-Q164 VanDerWaalsContact C-N 3.31Å; E162-Q164 PolarHBondContact O-N 3Å; E162-R165 WeakPolarHBondContact O-CB 3.15Å; E162-R165 PolarHBondContact O-N 3.21Å; E162-R165 IonicContact OE1-CZ 3.7Å; E162-R165 VanDerWaalsContact OE1-CZ 3.3Å; E162-R165 IonicContact OE1-NE 2.89Å; E162-R165 PolarHBondContact OE1-NE 3.01Å; E162-R165 IonicContact OE1-NH2 3.67Å; E162-R165 PolarHBondContact OE1-NH2 3.16Å; E162-R165 IonicContact OE2-CZ 2.7Å; E162-R165 VanDerWaalsContact OE2-CZ 3.24Å; E162-R165 IonicContact OE2-NE 3.23Å; E162-R165 PolarHBondContact OE2-NE 3.24Å; E162-R165 IonicContact OE2-NH2 3.53Å; E162-R165 PolarHBondContact OE2-NH2 3.2Å; E162-I166 HydrophobicContact CG-CD1 4.15Å; E162-I166 WeakPolarHBondContact O-CG1 3.41Å; E162-I166 PolarHBondContact O-N 3.37Å
163	N	93.6	Very high	93.9	Very high	94 Å²	94	69.9 Å²	69.9	50%	0.503	38%	0.382	S	S	.	.	H	α-helix	trans	-64	-34.1	175.2	-84	-62.3	0	0	0	113	S159 Y160 T167	S159-N163 WeakPolarHBondContact O-CB 3.46Å; S159-N163 PolarHBondContact O-N 3.39Å; S159-N163 VanDerWaalsContact O-N 3.17Å; S159-N163 PolarHBondContact O-ND2 3.25Å; Y160-N163 PolarHBondContact O-N 3.08Å; N163-T167 WeakPolarHBondContact O-CB 3.47Å; N163-T167 PolarHBondContact O-N 2.71Å; N163-T167 PolarHBondContact O-OG1 3.43Å
164	Q	93.6	Very high	94.1	Very high	126 Å²	126	68.9 Å²	68.9	59%	0.589	36%	0.36	S	S	*	.	H	α-helix	trans	-65	-43.5	173.2	-168.5	179.4	12	0	0	111.3	Y160 A161 E162 T167 A168	Y160-Q164 PolarHBondContact O-N 3.48Å; A161-Q164 WeakPolarHBondContact O-CB 3.43Å; A161-Q164 PolarHBondContact O-N 2.81Å; E162-Q164 VanDerWaalsContact C-N 3.31Å; E162-Q164 PolarHBondContact O-N 3Å; Q164-T167 PolarHBondContact O-N 2.91Å; Q164-A168 PolarHBondContact O-N 2.72Å
165	R	94.4	Very high	94.3	Very high	67 Å²	67	72.3 Å²	72.3	25%	0.253	37%	0.369	S	S	.	.	H	α-helix	trans	-60.5	-48	174	-177	170.8	73.4	171.8	6.3	111.8	L151 K152 V154 A156 A161 E162 T167 A168 V169	L151-R165 WeakPolarHBondContact O-CD 3.17Å; K152-R165 PolarHBondContact O-NH1 3.43Å; V154-R165 VanDerWaalsContact O-CD 3.23Å; V154-R165 WeakPolarHBondContact O-CD 3.36Å; V154-R165 PolarHBondContact O-NH1 2.74Å; A156-R165 HydrophobicContact CB-CB 4.47Å; A161-R165 PolarHBondContact O-N 3.41Å; E162-R165 WeakPolarHBondContact O-CB 3.15Å; E162-R165 PolarHBondContact O-N 3.21Å; E162-R165 IonicContact OE1-CZ 3.7Å; E162-R165 VanDerWaalsContact OE1-CZ 3.3Å; E162-R165 IonicContact OE1-NE 2.89Å; E162-R165 PolarHBondContact OE1-NE 3.01Å; E162-R165 IonicContact OE1-NH2 3.67Å; E162-R165 PolarHBondContact OE1-NH2 3.16Å; E162-R165 IonicContact OE2-CZ 2.7Å; E162-R165 VanDerWaalsContact OE2-CZ 3.24Å; E162-R165 IonicContact OE2-NE 3.23Å; E162-R165 PolarHBondContact OE2-NE 3.24Å; E162-R165 IonicContact OE2-NH2 3.53Å; E162-R165 PolarHBondContact OE2-NH2 3.2Å; R165-T167 VanDerWaalsContact C-N 3.3Å; R165-T167 PolarHBondContact O-N 3.49Å; R165-A168 PolarHBondContact O-N 3.4Å; R165-V169 HydrophobicContact CG-CG2 4.44Å; R165-V169 WeakPolarHBondContact O-CG2 3.19Å; R165-V169 PolarHBondContact O-N 3.15Å
166	I	94.8	Very high	94.6	Very high	15 Å²	15	65.4 Å²	65.4	8%	0.077	34%	0.337	C	S	.	.	H	α-helix	trans	-55.9	-45.9	175.2	-71.9	164.8	0	0	0	111	E162 A168 V169 R170 Y194 I198	E162-I166 HydrophobicContact CG-CD1 4.15Å; E162-I166 WeakPolarHBondContact O-CG1 3.41Å; E162-I166 PolarHBondContact O-N 3.37Å; I166-A168 PolarHBondContact O-N 3.23Å; I166-V169 PolarHBondContact O-N 3.27Å; I166-R170 WeakPolarHBondContact O-CB 3.39Å; I166-R170 PolarHBondContact O-N 3.16Å; I166-Y194 WeakPolarHBondContact CA-OH 3.33Å; I166-I198 HydrophobicContact CB-CD1 4.48Å; I166-I198 HydrophobicContact CD1-CD1 4.47Å; I166-I198 HydrophobicContact CD1-CG1 4.34Å; I166-I198 HydrophobicContact CD1-CG2 4.06Å; I166-I198 HydrophobicContact CG1-CD1 4.08Å; I166-I198 HydrophobicContact CG1-CG1 4.36Å; I166-I198 HydrophobicContact CG2-CD1 3.72Å
167	T	95.7	Very high	94.9	Very high	75 Å²	75	64.4 Å²	64.4	46%	0.46	33%	0.328	S	S	.	.	H	α-helix	trans	-64.3	-40.8	179.6	-58.6	0	0	0	0	112.2	N163 Q164 R165 R171	N163-T167 WeakPolarHBondContact O-CB 3.47Å; N163-T167 PolarHBondContact O-N 2.71Å; N163-T167 PolarHBondContact O-OG1 3.43Å; Q164-T167 PolarHBondContact O-N 2.91Å; R165-T167 VanDerWaalsContact C-N 3.3Å; R165-T167 PolarHBondContact O-N 3.49Å; T167-R171 WeakPolarHBondContact O-CB 3.35Å; T167-R171 PolarHBondContact O-N 2.95Å; T167-R171 VanDerWaalsContact O-N 3.08Å
168	A	95.5	Very high	95.1	Very high	31 Å²	31	61.5 Å²	61.5	26%	0.256	31%	0.31	S	S	.	.	H	α-helix	trans	-65.7	-49.4	176.5	0	0	0	0	0	112	L151 Q164 R165 I166 R170 R171 V172	L151-A168 HydrophobicContact CD1-CB 4.29Å; L151-A168 HydrophobicContact CD2-CB 4.43Å; Q164-A168 PolarHBondContact O-N 2.72Å; R165-A168 PolarHBondContact O-N 3.4Å; I166-A168 PolarHBondContact O-N 3.23Å; A168-R170 PolarHBondContact O-N 3.21Å; A168-R171 WeakPolarHBondContact O-CB 3.34Å; A168-R171 PolarHBondContact O-N 3.34Å; A168-V172 PolarHBondContact O-N 3.46Å
169	V	97.2	Very high	95.2	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.1	-44.8	178.9	175.1	0	0	0	0	111	I148 L151 K152 R165 I166 R171 V172 Y173 Y194	I148-V169 HydrophobicContact CG2-CG1 4.3Å; L151-V169 HydrophobicContact CB-CG2 3.6Å; L151-V169 HydrophobicContact CD1-CG2 4.49Å; K152-V169 HydrophobicContact CG-CG1 4.27Å; K152-V169 HydrophobicContact CG-CG2 4.01Å; R165-V169 HydrophobicContact CG-CG2 4.44Å; R165-V169 WeakPolarHBondContact O-CG2 3.19Å; R165-V169 PolarHBondContact O-N 3.15Å; I166-V169 PolarHBondContact O-N 3.27Å; V169-R171 VanDerWaalsContact C-N 3.33Å; V169-R171 PolarHBondContact O-N 3.16Å; V169-V172 PolarHBondContact O-N 3.28Å; V169-Y173 HydrophobicContact CG1-CD2 3.68Å; V169-Y173 HydrophobicContact CG1-CE2 3.54Å; V169-Y173 WeakPolarHBondContact O-CD2 3.46Å; V169-Y173 PolarHBondContact O-N 3.17Å; V169-Y173 VanDerWaalsContact O-N 3.08Å; V169-Y194 HydrophobicContact CB-CE1 3.92Å; V169-Y194 WeakPolarHBondContact CB-OH 3.43Å; V169-Y194 HydrophobicContact CG1-CD1 4.03Å; V169-Y194 HydrophobicContact CG1-CE1 3.4Å; V169-Y194 VanDerWaalsContact CG1-CE1 3.4Å; V169-Y194 HydrophobicContact CG1-CE2 4.06Å; V169-Y194 VanDerWaalsContact CG1-CZ 3.43Å
170	R	96.8	Very high	95.5	Very high	54 Å²	54	55.4 Å²	55.4	20%	0.204	26%	0.259	C	S	.	.	H	α-helix	trans	-58.2	-42.2	176	179.4	179.2	-69.2	130.6	1.3	112.3	I166 A168 V172 Y173 Q174 Y191 E195	I166-R170 WeakPolarHBondContact O-CB 3.39Å; I166-R170 PolarHBondContact O-N 3.16Å; A168-R170 PolarHBondContact O-N 3.21Å; R170-V172 VanDerWaalsContact C-N 3.32Å; R170-V172 PolarHBondContact O-N 3.01Å; R170-Y173 PolarHBondContact O-N 3.26Å; R170-Q174 HydrophobicContact CG-CG 4.23Å; R170-Q174 WeakPolarHBondContact O-CB 3.24Å; R170-Q174 WeakPolarHBondContact O-CG 3.37Å; R170-Q174 PolarHBondContact O-N 3.1Å; R170-Y191 HydrophobicContact CG-CE2 4.49Å; R170-E195 IonicContact CZ-OE1 3.31Å; R170-E195 IonicContact CZ-OE2 2.75Å; R170-E195 IonicContact NE-OE1 2.65Å; R170-E195 PolarHBondContact NE-OE1 3.14Å; R170-E195 IonicContact NE-OE2 2.62Å; R170-E195 PolarHBondContact NE-OE2 2.92Å; R170-E195 IonicContact NH2-OE1 3.06Å; R170-E195 IonicContact NH2-OE2 2.85Å; R170-E195 PolarHBondContact NH2-OE2 3.03Å
171	R	96.9	Very high	95.6	Very high	175 Å²	175	46.5 Å²	46.5	66%	0.66	22%	0.224	S	C	*	.	H	α-helix	trans	-57.4	-44.7	176.8	-174.8	-168.2	-64.2	178.1	-2.3	111.7	T167 A168 V169 R175	T167-R171 WeakPolarHBondContact O-CB 3.35Å; T167-R171 PolarHBondContact O-N 2.95Å; T167-R171 VanDerWaalsContact O-N 3.08Å; A168-R171 WeakPolarHBondContact O-CB 3.34Å; A168-R171 PolarHBondContact O-N 3.34Å; V169-R171 VanDerWaalsContact C-N 3.33Å; V169-R171 PolarHBondContact O-N 3.16Å; R171-R175 WeakPolarHBondContact O-CB 3.41Å; R171-R175 PolarHBondContact O-N 3.14Å
172	V	97.5	Very high	95.8	Very high	7 Å²	7	47.4 Å²	47.4	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-69	-44.3	-179.1	-177.2	0	0	0	0	111.2	L131 W144 Y147 I148 L151 A168 V169 R170 R175 G176	L131-V172 HydrophobicContact CD1-CG1 4.46Å; W144-V172 HydrophobicContact CE3-CG1 3.84Å; W144-V172 HydrophobicContact CZ3-CG1 4.22Å; Y147-V172 HydrophobicContact CD1-CB 4.39Å; Y147-V172 HydrophobicContact CD1-CG1 3.78Å; Y147-V172 HydrophobicContact CD1-CG2 3.63Å; Y147-V172 HydrophobicContact CE1-CG1 4.39Å; Y147-V172 HydrophobicContact CE1-CG2 3.43Å; Y147-V172 VanDerWaalsContact CE1-CG2 3.43Å; I148-V172 HydrophobicContact CD1-CG1 4.1Å; I148-V172 HydrophobicContact CG1-CB 4.1Å; I148-V172 HydrophobicContact CG1-CG1 3.65Å; L151-V172 HydrophobicContact CD1-CG2 3.66Å; A168-V172 PolarHBondContact O-N 3.46Å; V169-V172 PolarHBondContact O-N 3.28Å; R170-V172 VanDerWaalsContact C-N 3.32Å; R170-V172 PolarHBondContact O-N 3.01Å; V172-R175 PolarHBondContact O-N 2.86Å; V172-G176 PolarHBondContact O-N 3.03Å
173	Y	97.7	Very high	96	Very high	6 Å²	6	49 Å²	49	2%	0.024	24%	0.235	C	C	.	.	H	α-helix	trans	-57.9	-51.8	173.4	-84.6	-65.8	0	0	0	112.1	I148 K152 V169 R170 R175 G176 C177 L187 D190 Y191 Y194	I148-Y173 HydrophobicContact CD1-CD1 3.75Å; I148-Y173 HydrophobicContact CD1-CD2 4.44Å; I148-Y173 HydrophobicContact CD1-CE1 3.77Å; I148-Y173 HydrophobicContact CD1-CE2 4.44Å; I148-Y173 HydrophobicContact CD1-CG 4.11Å; I148-Y173 HydrophobicContact CG2-CE1 4.38Å; I148-Y173 HydrophobicContact CG2-CE2 3.75Å; K152-Y173 PolarHBondContact NZ-OH 3.27Å; V169-Y173 HydrophobicContact CG1-CD2 3.68Å; V169-Y173 HydrophobicContact CG1-CE2 3.54Å; V169-Y173 WeakPolarHBondContact O-CD2 3.46Å; V169-Y173 PolarHBondContact O-N 3.17Å; V169-Y173 VanDerWaalsContact O-N 3.08Å; R170-Y173 PolarHBondContact O-N 3.26Å; Y173-R175 VanDerWaalsContact C-N 3.3Å; Y173-R175 PolarHBondContact O-N 3.06Å; Y173-G176 PolarHBondContact O-N 3.26Å; Y173-G176 VanDerWaalsContact O-N 3.15Å; Y173-C177 WeakPolarHBondContact O-CB 3.43Å; Y173-C177 PolarHBondContact O-N 2.87Å; Y173-C177 PolarHBondContact O-SG 2.95Å; Y173-L187 HydrophobicContact CD1-CD1 3.74Å; Y173-L187 HydrophobicContact CD1-CG 4.24Å; Y173-L187 HydrophobicContact CE1-CD1 3.78Å; Y173-D190 HydrophobicContact CE1-CB 4.28Å; Y173-D190 PolarHBondContact OH-O 3.41Å; Y173-Y191 HydrophobicContact CD1-CD2 4.18Å; Y173-Y191 HydrophobicContact CD1-CG 4.31Å; Y173-Y191 AromaticContact CD2-CD2 4Å; Y173-Y191 HydrophobicContact CD2-CD2 4Å; Y173-Y191 AromaticContact CG-CD2 3.64Å; Y173-Y191 HydrophobicContact CG-CD2 3.64Å; Y173-Y191 HydrophobicContact CG-CG 4.21Å; Y173-Y194 AromaticContact CD2-CD1 3.95Å; Y173-Y194 HydrophobicContact CD2-CD1 3.95Å; Y173-Y194 HydrophobicContact CD2-CE1 4.48Å; Y173-Y194 HydrophobicContact CD2-CG 4.48Å; Y173-Y194 AromaticContact CE2-CD1 3.73Å; Y173-Y194 HydrophobicContact CE2-CD1 3.73Å; Y173-Y194 HydrophobicContact CE2-CE1 4.38Å; Y173-Y194 AromaticContact CE2-CG 3.82Å; Y173-Y194 HydrophobicContact CE2-CG 3.82Å
174	Q	96.3	Very high	96.2	Very high	45 Å²	45	44.8 Å²	44.8	21%	0.21	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-35.9	-177.7	-70.6	-175.9	3.7	0	0	112.4	R170 Y191	R170-Q174 HydrophobicContact CG-CG 4.23Å; R170-Q174 WeakPolarHBondContact O-CB 3.24Å; R170-Q174 WeakPolarHBondContact O-CG 3.37Å; R170-Q174 PolarHBondContact O-N 3.1Å; Q174-Y191 HydrophobicContact CG-CE2 4.24Å; Q174-Y191 PolarHBondContact NE2-OH 3.02Å
175	R	96.6	Very high	96.4	Very high	110 Å²	110	42.9 Å²	42.9	42%	0.415	20%	0.203	S	C	.	.	H	α-helix	trans	-67.5	-43.3	173.1	-170.7	-170.3	175	-176.8	1.4	111.8	L131 W144 R171 V172 Y173	L131-R175 PolarHBondContact O-NH2 2.95Å; W144-R175 HydrophobicContact CH2-CB 4.22Å; W144-R175 HydrophobicContact CH2-CG 3.74Å; W144-R175 HydrophobicContact CZ3-CB 3.99Å; W144-R175 HydrophobicContact CZ3-CG 4.01Å; R171-R175 WeakPolarHBondContact O-CB 3.41Å; R171-R175 PolarHBondContact O-N 3.14Å; V172-R175 PolarHBondContact O-N 2.86Å; Y173-R175 VanDerWaalsContact C-N 3.3Å; Y173-R175 PolarHBondContact O-N 3.06Å
176	G	96.1	Very high	96.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-72	-36.1	-177.7	0	0	0	0	0	114	V172 Y173 V178 N179 M181	V172-G176 PolarHBondContact O-N 3.03Å; Y173-G176 PolarHBondContact O-N 3.26Å; Y173-G176 VanDerWaalsContact O-N 3.15Å; G176-V178 PolarHBondContact O-N 3.47Å; G176-N179 WeakPolarHBondContact O-CB 3.31Å; G176-N179 PolarHBondContact O-N 3.2Å; G176-N179 VanDerWaalsContact O-N 3.1Å; G176-M181 WeakPolarHBondContact O-CE 3.33Å
177	C	96.2	Very high	96.7	Very high	3 Å²	3	42 Å²	42	2%	0.02	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.7	-179.1	-68.5	0	0	0	0	114.5	Y173 W188	Y173-C177 WeakPolarHBondContact O-CB 3.43Å; Y173-C177 PolarHBondContact O-N 2.87Å; Y173-C177 PolarHBondContact O-SG 2.95Å; C177-W188 HydrophobicContact CB-CE3 3.77Å; C177-W188 HydrophobicContact CB-CZ3 4.14Å
178	V	95.8	Very high	96.8	Very high	61 Å²	61	39.9 Å²	39.9	37%	0.37	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-2.7	175.4	-173.7	0	0	0	0	111.5	G176 P180 D213 A217	G176-V178 PolarHBondContact O-N 3.47Å; V178-P180 WeakPolarHBondContact O-CD 3.23Å; V178-D213 HydrophobicContact CG1-CB 4.42Å; V178-D213 HydrophobicContact CG2-CB 3.95Å; V178-A217 WeakPolarHBondContact O-CB 3.28Å
179	N	95.4	Very high	96.9	Very high	19 Å²	19	45.4 Å²	45.4	10%	0.102	20%	0.199	C	C	.	.	S	Bend	trans	-99.1	115.3	-177.3	179.8	49.7	0	0	0	111.4	G135 W144 G176 M181 I184	G135-N179 PolarHBondContact O-ND2 3.35Å; W144-N179 HydrophobicContact CZ2-CB 4.41Å; G176-N179 WeakPolarHBondContact O-CB 3.31Å; G176-N179 PolarHBondContact O-N 3.2Å; G176-N179 VanDerWaalsContact O-N 3.1Å; N179-M181 PolarHBondContact O-N 2.92Å; N179-M181 VanDerWaalsContact O-N 3.16Å; N179-I184 WeakPolarHBondContact O-CD1 3.42Å
180	P	97.4	Very high	96.9	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	21%	0.211	C	C	.	.			trans	-63.1	113.6	-179.4	-24.1	35.2	0	0	0	113	V178 V220 A221 Y224 L265	V178-P180 WeakPolarHBondContact O-CD 3.23Å; P180-V220 HydrophobicContact CB-CB 4.38Å; P180-V220 HydrophobicContact CB-CG1 3.97Å; P180-V220 HydrophobicContact CG-CB 4.06Å; P180-V220 HydrophobicContact CG-CG1 3.69Å; P180-A221 HydrophobicContact CB-CB 4.17Å; P180-Y224 HydrophobicContact CB-CD1 4.45Å; P180-L265 HydrophobicContact CG-CD1 4.49Å; P180-L265 HydrophobicContact CG-CD2 3.93Å; P180-L265 HydrophobicContact CG-CG 4.47Å
181	M	96.1	Very high	96.9	Very high	2 Å²	2	45 Å²	45	1%	0.01	20%	0.201	C	C	.	.			trans	-154.2	164.7	178.4	61	-179.1	158.5	0	0	111.5	W144 G176 N179 I184 L187	W144-M181 HydrophobicContact CD2-CE 4.45Å; W144-M181 HydrophobicContact CG-CE 4.11Å; W144-M181 HydrophobicContact CG-SD 4.34Å; G176-M181 WeakPolarHBondContact O-CE 3.33Å; N179-M181 PolarHBondContact O-N 2.92Å; N179-M181 VanDerWaalsContact O-N 3.16Å; M181-I184 HydrophobicContact CG-CB 4.33Å; M181-I184 WeakPolarHBondContact O-CB 3.42Å; M181-I184 PolarHBondContact O-N 3.09Å; M181-L187 HydrophobicContact CE-CD2 3.44Å; M181-L187 VanDerWaalsContact CE-CD2 3.44Å
182	I	95.8	Very high	96.9	Very high	47 Å²	47	37.6 Å²	37.6	24%	0.241	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	146	170.3	-75.4	157.8	0	0	0	109.6	I138 M139 Y141 I184	I138-I182 HydrophobicContact CD1-CD1 4.12Å; I138-I182 HydrophobicContact CD1-CG1 4.27Å; I138-I182 HydrophobicContact CG1-CD1 3.92Å; I138-I182 HydrophobicContact CG1-CG1 3.96Å; I138-I182 PolarHBondContact O-N 2.95Å; M139-I182 HydrophobicContact SD-CD1 3.49Å; M139-I182 WeakPolarHBondContact SD-CD1 3.36Å; Y141-I182 WeakPolarHBondContact CB-O 3.45Å; I182-I184 PolarHBondContact O-N 2.85Å
183	N	96.9	Very high	96.9	Very high	91 Å²	91	42.2 Å²	42.2	49%	0.487	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	18.3	-177.2	-58.8	-15.6	0	0	0	116	Y141 E185 Q186 L187	Y141-N183 HydrophobicContact CD1-CB 4.03Å; Y141-N183 HydrophobicContact CD2-CB 3.58Å; Y141-N183 HydrophobicContact CE1-CB 4.12Å; Y141-N183 HydrophobicContact CE2-CB 3.67Å; Y141-N183 WeakPolarHBondContact CE2-O 3.4Å; Y141-N183 HydrophobicContact CG-CB 3.77Å; N183-E185 PolarHBondContact O-N 3.05Å; N183-E185 VanDerWaalsContact O-N 3.15Å; N183-Q186 HydrophobicContact CB-CB 4.43Å; N183-Q186 PolarHBondContact O-N 3.28Å; N183-L187 PolarHBondContact O-N 3.14Å; N183-L187 VanDerWaalsContact O-N 3.17Å
184	I	97.3	Very high	96.9	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-54.1	-32.5	172.5	-163.8	179.3	0	0	0	112.8	N179 M181 I182 Q186 L187 W188 Y214 A217 R218 A221	N179-I184 WeakPolarHBondContact O-CD1 3.42Å; M181-I184 HydrophobicContact CG-CB 4.33Å; M181-I184 WeakPolarHBondContact O-CB 3.42Å; M181-I184 PolarHBondContact O-N 3.09Å; I182-I184 PolarHBondContact O-N 2.85Å; I184-Q186 PolarHBondContact O-N 2.71Å; I184-L187 PolarHBondContact O-N 3.44Å; I184-W188 PolarHBondContact O-N 3.37Å; I184-Y214 HydrophobicContact CD1-CD2 4.47Å; I184-Y214 HydrophobicContact CG1-CD2 4.43Å; I184-Y214 HydrophobicContact CG1-CE2 4.22Å; I184-A217 HydrophobicContact CD1-CB 3.89Å; I184-R218 HydrophobicContact CG2-CB 4.43Å; I184-R218 HydrophobicContact CG2-CG 4.38Å; I184-A221 HydrophobicContact CG2-CB 4Å
185	E	97.1	Very high	96.9	Very high	87 Å²	87	41.6 Å²	41.6	41%	0.407	19%	0.192	S	C	.	.	H	α-helix	trans	-64.3	-37.7	176	-56	-172.5	175	0	0	112.7	N183 R189 Y214 R218 K222	N183-E185 PolarHBondContact O-N 3.05Å; N183-E185 VanDerWaalsContact O-N 3.15Å; E185-R189 WeakPolarHBondContact O-CB 3.25Å; E185-R189 PolarHBondContact O-N 2.68Å; E185-Y214 WeakPolarHBondContact CA-OH 3.48Å; E185-R218 HydrophobicContact CG-CG 4.25Å; E185-R218 IonicContact OE1-CZ 2.74Å; E185-R218 IonicContact OE1-NE 3.73Å; E185-R218 PolarHBondContact OE1-NE 3.03Å; E185-R218 IonicContact OE1-NH2 3.2Å; E185-R218 PolarHBondContact OE1-NH2 3.24Å; E185-R218 IonicContact OE2-NH2 3.48Å; E185-K222 IonicContact OE1-NZ 2.68Å
186	Q	97.8	Very high	96.9	Very high	62 Å²	62	41.1 Å²	41.1	29%	0.29	20%	0.195	S	C	.	.	H	α-helix	trans	-72.3	-39.1	177.3	-178.1	56	43.3	0	0	110.7	Y141 N183 I184 W188 R189 D190	Y141-Q186 HydrophobicContact CE2-CB 4.46Å; Y141-Q186 VanDerWaalsContact OH-CG 3.3Å; Y141-Q186 WeakPolarHBondContact OH-CG 3.44Å; N183-Q186 HydrophobicContact CB-CB 4.43Å; N183-Q186 PolarHBondContact O-N 3.28Å; I184-Q186 PolarHBondContact O-N 2.71Å; Q186-W188 VanDerWaalsContact C-N 3.34Å; Q186-W188 PolarHBondContact O-N 3.37Å; Q186-R189 PolarHBondContact O-N 2.85Å; Q186-D190 PolarHBondContact NE2-OD1 3.48Å; Q186-D190 PolarHBondContact NE2-OD2 3.18Å; Q186-D190 PolarHBondContact O-N 3.19Å
187	L	97.8	Very high	96.8	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-43.9	173.8	-175.2	67	0	0	0	111.7	Y141 I148 Y173 M181 N183 I184 D190 Y191	Y141-L187 HydrophobicContact CE2-CB 4.21Å; I148-L187 HydrophobicContact CD1-CD1 3.61Å; Y173-L187 HydrophobicContact CD1-CD1 3.74Å; Y173-L187 HydrophobicContact CD1-CG 4.24Å; Y173-L187 HydrophobicContact CE1-CD1 3.78Å; M181-L187 HydrophobicContact CE-CD2 3.44Å; M181-L187 VanDerWaalsContact CE-CD2 3.44Å; N183-L187 PolarHBondContact O-N 3.14Å; N183-L187 VanDerWaalsContact O-N 3.17Å; I184-L187 PolarHBondContact O-N 3.44Å; L187-D190 PolarHBondContact O-N 3.03Å; L187-Y191 PolarHBondContact O-N 3.32Å
188	W	97.9	Very high	96.6	Very high	29 Å²	29	47.4 Å²	47.4	11%	0.11	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-44.2	175.9	-178.1	-101.4	0	0	0	112.4	C177 I184 Q186 D190 Y191 S192 I207 R210 Y214	C177-W188 HydrophobicContact CB-CE3 3.77Å; C177-W188 HydrophobicContact CB-CZ3 4.14Å; I184-W188 PolarHBondContact O-N 3.37Å; Q186-W188 VanDerWaalsContact C-N 3.34Å; Q186-W188 PolarHBondContact O-N 3.37Å; W188-D190 VanDerWaalsContact C-N 3.27Å; W188-D190 PolarHBondContact O-N 3.48Å; W188-Y191 HydrophobicContact CE3-CD1 4.02Å; W188-Y191 HydrophobicContact CH2-CD1 4.41Å; W188-Y191 HydrophobicContact CH2-CE1 4.43Å; W188-Y191 AromaticContact CZ3-CD1 3.88Å; W188-Y191 HydrophobicContact CZ3-CD1 3.88Å; W188-Y191 HydrophobicContact CZ3-CE1 4.12Å; W188-Y191 WeakPolarHBondContact O-CB 3.41Å; W188-Y191 PolarHBondContact O-N 2.9Å; W188-Y191 VanDerWaalsContact O-N 3.13Å; W188-S192 PolarHBondContact O-N 3.39Å; W188-S192 PolarHBondContact O-OG 3.32Å; W188-I207 HydrophobicContact CH2-CG2 4.26Å; W188-I207 WeakPolarHBondContact CH2-O 3.1Å; W188-I207 HydrophobicContact CZ2-CG2 3.61Å; W188-R210 HydrophobicContact CH2-CB 3.96Å; W188-R210 HydrophobicContact CZ3-CB 4.13Å; W188-Y214 HydrophobicContact CB-CD2 3.88Å; W188-Y214 HydrophobicContact CB-CE1 4.09Å; W188-Y214 HydrophobicContact CB-CE2 3.38Å; W188-Y214 HydrophobicContact CB-CG 4.41Å; W188-Y214 VanDerWaalsContact CB-CZ 3.48Å; W188-Y214 AromaticContact CD1-CD1 3.91Å; W188-Y214 AromaticContact CD1-CE1 3.41Å; W188-Y214 VanDerWaalsContact CD1-CE1 3.41Å; W188-Y214 AromaticContact CD1-CZ 3.64Å; W188-Y214 AromaticContact CD2-CD1 3.46Å; W188-Y214 HydrophobicContact CD2-CD1 3.46Å; W188-Y214 VanDerWaalsContact CD2-CD1 3.46Å; W188-Y214 AromaticContact CD2-CD2 3.84Å; W188-Y214 HydrophobicContact CD2-CD2 3.84Å; W188-Y214 AromaticContact CD2-CE1 3.76Å; W188-Y214 HydrophobicContact CD2-CE1 3.76Å; W188-Y214 HydrophobicContact CD2-CE2 4.12Å; W188-Y214 AromaticContact CD2-CG 3.5Å; W188-Y214 HydrophobicContact CD2-CG 3.5Å; W188-Y214 VanDerWaalsContact CD2-CG 3.5Å; W188-Y214 AromaticContact CE2-CD1 3.5Å; W188-Y214 VanDerWaalsContact CE2-CD1 3.5Å; W188-Y214 AromaticContact CE2-CE1 3.84Å; W188-Y214 AromaticContact CE2-CG 3.96Å; W188-Y214 AromaticContact CE3-CD1 3.94Å; W188-Y214 HydrophobicContact CE3-CD1 3.94Å; W188-Y214 AromaticContact CE3-CD2 3.81Å; W188-Y214 HydrophobicContact CE3-CD2 3.81Å; W188-Y214 HydrophobicContact CE3-CE2 4.48Å; W188-Y214 AromaticContact CE3-CG 3.49Å; W188-Y214 HydrophobicContact CE3-CG 3.49Å; W188-Y214 VanDerWaalsContact CE3-CG 3.49Å; W188-Y214 AromaticContact CG-CD1 3.73Å; W188-Y214 HydrophobicContact CG-CD1 3.73Å; W188-Y214 AromaticContact CG-CD2 3.9Å; W188-Y214 HydrophobicContact CG-CD2 3.9Å; W188-Y214 AromaticContact CG-CE1 3.47Å; W188-Y214 HydrophobicContact CG-CE1 3.47Å; W188-Y214 VanDerWaalsContact CG-CE1 3.47Å; W188-Y214 AromaticContact CG-CE2 3.66Å; W188-Y214 HydrophobicContact CG-CE2 3.66Å; W188-Y214 AromaticContact CG-CG 3.92Å; W188-Y214 HydrophobicContact CG-CG 3.92Å; W188-Y214 AromaticContact CG-CZ 3.42Å; W188-Y214 VanDerWaalsContact CG-CZ 3.42Å; W188-Y214 HydrophobicContact CH2-CD1 4.42Å; W188-Y214 HydrophobicContact CH2-CG 4.38Å; W188-Y214 AromaticContact CZ2-CD1 3.99Å; W188-Y214 HydrophobicContact CZ2-CD1 3.99Å; W188-Y214 HydrophobicContact CZ2-CG 4.37Å; W188-Y214 HydrophobicContact CZ3-CD1 4.4Å; W188-Y214 AromaticContact CZ3-CG 3.96Å; W188-Y214 HydrophobicContact CZ3-CG 3.96Å; W188-Y214 AromaticContact NE1-CD1 3.76Å; W188-Y214 AromaticContact NE1-CE1 3.61Å
189	R	97.8	Very high	96.5	Very high	147 Å²	147	47.5 Å²	47.5	56%	0.555	24%	0.243	S	C	*	.	H	α-helix	trans	-58.3	-40.1	176	-173.1	-177.7	-174	-163.9	5.1	112.2	E185 Q186 K193	E185-R189 WeakPolarHBondContact O-CB 3.25Å; E185-R189 PolarHBondContact O-N 2.68Å; Q186-R189 PolarHBondContact O-N 2.85Å; R189-K193 WeakPolarHBondContact O-CG 3.39Å; R189-K193 PolarHBondContact O-N 2.97Å
190	D	97.7	Very high	96.4	Very high	44 Å²	44	51 Å²	51	24%	0.235	27%	0.265	C	S	.	.	H	α-helix	trans	-78	-25.3	178.2	-65.7	-27.6	0	0	0	112.7	Y173 Q186 L187 W188 K193 Y194	Y173-D190 HydrophobicContact CE1-CB 4.28Å; Y173-D190 PolarHBondContact OH-O 3.41Å; Q186-D190 PolarHBondContact NE2-OD1 3.48Å; Q186-D190 PolarHBondContact NE2-OD2 3.18Å; Q186-D190 PolarHBondContact O-N 3.19Å; L187-D190 PolarHBondContact O-N 3.03Å; W188-D190 VanDerWaalsContact C-N 3.27Å; W188-D190 PolarHBondContact O-N 3.48Å; D190-K193 IonicContact OD1-NZ 2.82Å; D190-Y194 VanDerWaalsContact O-CB 3.23Å; D190-Y194 WeakPolarHBondContact O-CB 3.36Å; D190-Y194 PolarHBondContact O-N 3.22Å; D190-Y194 VanDerWaalsContact O-N 3.11Å
191	Y	97.8	Very high	96.1	Very high	1 Å²	1	59 Å²	59	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-66.5	-48.2	167.5	176.1	-120	0	0	0	111.8	R170 Y173 Q174 L187 W188 K193 Y194 E195 M206	R170-Y191 HydrophobicContact CG-CE2 4.49Å; Y173-Y191 HydrophobicContact CD1-CD2 4.18Å; Y173-Y191 HydrophobicContact CD1-CG 4.31Å; Y173-Y191 AromaticContact CD2-CD2 4Å; Y173-Y191 HydrophobicContact CD2-CD2 4Å; Y173-Y191 AromaticContact CG-CD2 3.64Å; Y173-Y191 HydrophobicContact CG-CD2 3.64Å; Y173-Y191 HydrophobicContact CG-CG 4.21Å; Q174-Y191 HydrophobicContact CG-CE2 4.24Å; Q174-Y191 PolarHBondContact NE2-OH 3.02Å; L187-Y191 PolarHBondContact O-N 3.32Å; W188-Y191 HydrophobicContact CE3-CD1 4.02Å; W188-Y191 HydrophobicContact CH2-CD1 4.41Å; W188-Y191 HydrophobicContact CH2-CE1 4.43Å; W188-Y191 AromaticContact CZ3-CD1 3.88Å; W188-Y191 HydrophobicContact CZ3-CD1 3.88Å; W188-Y191 HydrophobicContact CZ3-CE1 4.12Å; W188-Y191 WeakPolarHBondContact O-CB 3.41Å; W188-Y191 PolarHBondContact O-N 2.9Å; W188-Y191 VanDerWaalsContact O-N 3.13Å; Y191-K193 PolarHBondContact O-N 3.07Å; Y191-Y194 WeakPolarHBondContact O-CB 3.24Å; Y191-Y194 PolarHBondContact O-N 2.91Å; Y191-E195 HydrophobicContact CD2-CG 4.09Å; Y191-E195 HydrophobicContact CE1-CG 4.35Å; Y191-E195 HydrophobicContact CE2-CG 3.56Å; Y191-E195 WeakPolarHBondContact CE2-OE1 3.27Å; Y191-E195 PolarHBondContact O-N 3.16Å; Y191-E195 PolarHBondContact OH-OE1 3.11Å; Y191-M206 PolarHBondContact OH-O 2.96Å
192	S	96.7	Very high	95.9	Very high	21 Å²	21	64 Å²	64	15%	0.147	33%	0.327	C	S	.	.	H	α-helix	trans	-56.2	-50.7	177.6	-63.7	0	0	0	0	111.7	W188 Y194 E195 E196	W188-S192 PolarHBondContact O-N 3.39Å; W188-S192 PolarHBondContact O-OG 3.32Å; S192-Y194 PolarHBondContact O-N 3.02Å; S192-E195 PolarHBondContact O-N 3.02Å; S192-E196 WeakPolarHBondContact O-CB 3.33Å; S192-E196 WeakPolarHBondContact O-CG 3.44Å; S192-E196 PolarHBondContact O-N 3.38Å
193	K	97.3	Very high	95.8	Very high	103 Å²	103	61.8 Å²	61.8	45%	0.448	32%	0.316	S	S	.	.	H	α-helix	trans	-59.7	-33.9	175.4	-70.4	173	-177.8	171.8	0	113.2	R189 D190 Y191 G197	R189-K193 WeakPolarHBondContact O-CG 3.39Å; R189-K193 PolarHBondContact O-N 2.97Å; D190-K193 IonicContact OD1-NZ 2.82Å; Y191-K193 PolarHBondContact O-N 3.07Å; K193-G197 PolarHBondContact O-N 3.43Å
194	Y	96.9	Very high	95.6	Very high	35 Å²	35	65.1 Å²	65.1	14%	0.137	33%	0.327	C	S	.	.	H	α-helix	trans	-70.7	-44.5	-179.7	-179	-110.9	0	0	0	111.7	I166 V169 Y173 D190 Y191 S192 G197 I198	I166-Y194 WeakPolarHBondContact CA-OH 3.33Å; V169-Y194 HydrophobicContact CB-CE1 3.92Å; V169-Y194 WeakPolarHBondContact CB-OH 3.43Å; V169-Y194 HydrophobicContact CG1-CD1 4.03Å; V169-Y194 HydrophobicContact CG1-CE1 3.4Å; V169-Y194 VanDerWaalsContact CG1-CE1 3.4Å; V169-Y194 HydrophobicContact CG1-CE2 4.06Å; V169-Y194 VanDerWaalsContact CG1-CZ 3.43Å; Y173-Y194 AromaticContact CD2-CD1 3.95Å; Y173-Y194 HydrophobicContact CD2-CD1 3.95Å; Y173-Y194 HydrophobicContact CD2-CE1 4.48Å; Y173-Y194 HydrophobicContact CD2-CG 4.48Å; Y173-Y194 AromaticContact CE2-CD1 3.73Å; Y173-Y194 HydrophobicContact CE2-CD1 3.73Å; Y173-Y194 HydrophobicContact CE2-CE1 4.38Å; Y173-Y194 AromaticContact CE2-CG 3.82Å; Y173-Y194 HydrophobicContact CE2-CG 3.82Å; D190-Y194 VanDerWaalsContact O-CB 3.23Å; D190-Y194 WeakPolarHBondContact O-CB 3.36Å; D190-Y194 PolarHBondContact O-N 3.22Å; D190-Y194 VanDerWaalsContact O-N 3.11Å; Y191-Y194 WeakPolarHBondContact O-CB 3.24Å; Y191-Y194 PolarHBondContact O-N 2.91Å; S192-Y194 PolarHBondContact O-N 3.02Å; Y194-G197 PolarHBondContact O-N 3.23Å; Y194-I198 HydrophobicContact CD1-CD1 3.93Å; Y194-I198 HydrophobicContact CD2-CD1 4.5Å; Y194-I198 HydrophobicContact CE1-CD1 3.49Å; Y194-I198 VanDerWaalsContact CE1-CD1 3.49Å; Y194-I198 HydrophobicContact CE2-CD1 4.11Å; Y194-I198 HydrophobicContact CG-CD1 4.41Å; Y194-I198 WeakPolarHBondContact O-CD1 3.42Å; Y194-I198 WeakPolarHBondContact O-CG1 3.38Å; Y194-I198 PolarHBondContact O-N 3.32Å
195	E	96.4	Very high	95.6	Very high	4 Å²	4	71.1 Å²	71.1	2%	0.019	35%	0.352	C	S	.	.	H	α-helix	trans	-65.9	-42.7	174.7	-65.5	-68.1	178.1	0	0	111.6	R170 Y191 S192 G197 I198 N199 A203 M206	R170-E195 IonicContact CZ-OE1 3.31Å; R170-E195 IonicContact CZ-OE2 2.75Å; R170-E195 IonicContact NE-OE1 2.65Å; R170-E195 PolarHBondContact NE-OE1 3.14Å; R170-E195 IonicContact NE-OE2 2.62Å; R170-E195 PolarHBondContact NE-OE2 2.92Å; R170-E195 IonicContact NH2-OE1 3.06Å; R170-E195 IonicContact NH2-OE2 2.85Å; R170-E195 PolarHBondContact NH2-OE2 3.03Å; Y191-E195 HydrophobicContact CD2-CG 4.09Å; Y191-E195 HydrophobicContact CE1-CG 4.35Å; Y191-E195 HydrophobicContact CE2-CG 3.56Å; Y191-E195 WeakPolarHBondContact CE2-OE1 3.27Å; Y191-E195 PolarHBondContact O-N 3.16Å; Y191-E195 PolarHBondContact OH-OE1 3.11Å; S192-E195 PolarHBondContact O-N 3.02Å; E195-G197 VanDerWaalsContact C-N 3.31Å; E195-G197 PolarHBondContact O-N 3.34Å; E195-I198 PolarHBondContact O-N 3.01Å; E195-I198 VanDerWaalsContact O-N 3.16Å; E195-N199 PolarHBondContact O-N 2.84Å; E195-A203 HydrophobicContact CB-CB 3.9Å; E195-M206 HydrophobicContact CG-CB 4.41Å
196	E	96.1	Very high	95.4	Very high	100 Å²	100	69.4 Å²	69.4	47%	0.467	35%	0.345	S	S	.	.	H	α-helix	trans	-58.2	-42.5	174	-74.1	171.6	176.1	0	0	112	S192 I198 V200 A203	S192-E196 WeakPolarHBondContact O-CB 3.33Å; S192-E196 WeakPolarHBondContact O-CG 3.44Å; S192-E196 PolarHBondContact O-N 3.38Å; E196-I198 VanDerWaalsContact C-N 3.28Å; E196-I198 PolarHBondContact O-N 2.99Å; E196-V200 VanDerWaalsContact O-CG2 3.32Å; E196-V200 WeakPolarHBondContact O-CG2 3.4Å; E196-V200 PolarHBondContact O-N 3.24Å; E196-A203 HydrophobicContact CB-CB 4.42Å; E196-A203 HydrophobicContact CG-CB 3.93Å
197	G	94.7	Very high	95.2	Very high	71 Å²	71	67.7 Å²	67.7	73%	0.732	34%	0.338	S	S	*	.	H	α-helix	trans	-69.1	-18.8	177.6	0	0	0	0	0	115	K193 Y194 E195	K193-G197 PolarHBondContact O-N 3.43Å; Y194-G197 PolarHBondContact O-N 3.23Å; E195-G197 VanDerWaalsContact C-N 3.31Å; E195-G197 PolarHBondContact O-N 3.34Å
198	I	93.1	Very high	95.1	Very high	64 Å²	64	74.5 Å²	74.5	33%	0.328	37%	0.37	S	S	.	.	H	α-helix	trans	-88.3	-53.5	172.3	-64.8	157.9	0	0	0	110.5	I166 Y194 E195 E196	I166-I198 HydrophobicContact CB-CD1 4.48Å; I166-I198 HydrophobicContact CD1-CD1 4.47Å; I166-I198 HydrophobicContact CD1-CG1 4.34Å; I166-I198 HydrophobicContact CD1-CG2 4.06Å; I166-I198 HydrophobicContact CG1-CD1 4.08Å; I166-I198 HydrophobicContact CG1-CG1 4.36Å; I166-I198 HydrophobicContact CG2-CD1 3.72Å; Y194-I198 HydrophobicContact CD1-CD1 3.93Å; Y194-I198 HydrophobicContact CD2-CD1 4.5Å; Y194-I198 HydrophobicContact CE1-CD1 3.49Å; Y194-I198 VanDerWaalsContact CE1-CD1 3.49Å; Y194-I198 HydrophobicContact CE2-CD1 4.11Å; Y194-I198 HydrophobicContact CG-CD1 4.41Å; Y194-I198 WeakPolarHBondContact O-CD1 3.42Å; Y194-I198 WeakPolarHBondContact O-CG1 3.38Å; Y194-I198 PolarHBondContact O-N 3.32Å; E195-I198 PolarHBondContact O-N 3.01Å; E195-I198 VanDerWaalsContact O-N 3.16Å; E196-I198 VanDerWaalsContact C-N 3.28Å; E196-I198 PolarHBondContact O-N 2.99Å
199	N	92.7	Very high	95	Very high	63 Å²	63	77.8 Å²	77.8	34%	0.337	39%	0.389	S	S	.	.	H	α-helix	trans	-158.9	98.5	-179.2	-174.2	-23.8	0	0	0	111.5	E195 H201 L202 A203	E195-N199 PolarHBondContact O-N 2.84Å; N199-H201 PolarHBondContact O-N 3.3Å; N199-H201 WeakPolarHBondContact OD1-CB 3.34Å; N199-H201 PolarHBondContact OD1-N 2.75Å; N199-L202 HydrophobicContact CB-CB 4.36Å; N199-L202 PolarHBondContact O-N 2.97Å; N199-L202 VanDerWaalsContact O-N 3.1Å; N199-L202 PolarHBondContact OD1-N 3.43Å; N199-A203 WeakPolarHBondContact O-CB 3.18Å; N199-A203 PolarHBondContact O-N 2.97Å
200	V	93.6	Very high	94.9	Very high	93 Å²	93	75.7 Å²	75.7	56%	0.564	38%	0.381	S	S	*	.	H	α-helix	trans	-48	-35.2	177.8	-176	0	0	0	0	114.1	E196	E196-V200 VanDerWaalsContact O-CG2 3.32Å; E196-V200 WeakPolarHBondContact O-CG2 3.4Å; E196-V200 PolarHBondContact O-N 3.24Å
201	H	90.8	Very high	94.8	Very high	168 Å²	168	75.9 Å²	75.9	78%	0.778	39%	0.386	S	S	*	.	H	α-helix	trans	-73.7	-42.4	-178.2	-60.1	92.4	0	0	0	112.2	N199	N199-H201 PolarHBondContact O-N 3.3Å; N199-H201 WeakPolarHBondContact OD1-CB 3.34Å; N199-H201 PolarHBondContact OD1-N 2.75Å
202	L	92.6	Very high	94.7	Very high	106 Å²	106	86.1 Å²	86.1	56%	0.555	43%	0.425	S	S	*	.	H	α-helix	trans	-80.1	-28.7	178.2	-65.2	178.8	0	0	0	112.2	N199 K204 K205 M206	N199-L202 HydrophobicContact CB-CB 4.36Å; N199-L202 PolarHBondContact O-N 2.97Å; N199-L202 VanDerWaalsContact O-N 3.1Å; N199-L202 PolarHBondContact OD1-N 3.43Å; L202-K204 VanDerWaalsContact C-N 3.31Å; L202-K204 PolarHBondContact O-N 3.22Å; L202-K205 PolarHBondContact O-N 3Å; L202-M206 WeakPolarHBondContact O-CG 3.44Å; L202-M206 PolarHBondContact O-N 3.38Å
203	A	93.7	Very high	94.6	Very high	1 Å²	1	88.1 Å²	88.1	1%	0.008	43%	0.434	C	S	.	.	H	α-helix	trans	-52.4	-45.4	-177.4	0	0	0	0	0	112.9	E195 E196 N199 K205 M206 I207	E195-A203 HydrophobicContact CB-CB 3.9Å; E196-A203 HydrophobicContact CB-CB 4.42Å; E196-A203 HydrophobicContact CG-CB 3.93Å; N199-A203 WeakPolarHBondContact O-CB 3.18Å; N199-A203 PolarHBondContact O-N 2.97Å; A203-K205 PolarHBondContact O-N 3.49Å; A203-M206 PolarHBondContact O-N 2.9Å; A203-I207 HydrophobicContact CB-CD1 4.36Å; A203-I207 WeakPolarHBondContact O-CB 3.27Å; A203-I207 WeakPolarHBondContact O-CD1 3.18Å; A203-I207 WeakPolarHBondContact O-CG1 3.22Å; A203-I207 PolarHBondContact O-N 2.85Å
204	K	93.3	Very high	94.6	Very high	162 Å²	162	84 Å²	84	70%	0.704	42%	0.416	S	S	*	.	H	α-helix	trans	-52.4	-52.2	178.9	-70.1	-173.6	177.2	-178	0	111.8	L202 I207 E208	L202-K204 VanDerWaalsContact C-N 3.31Å; L202-K204 PolarHBondContact O-N 3.22Å; K204-I207 PolarHBondContact O-N 3.16Å; K204-E208 VanDerWaalsContact O-CB 3.28Å; K204-E208 WeakPolarHBondContact O-CB 3.43Å; K204-E208 PolarHBondContact O-N 3Å
205	K	95.2	Very high	94.6	Very high	130 Å²	130	87 Å²	87	57%	0.565	43%	0.432	S	S	*	.	H	α-helix	trans	-64.9	-46.5	178.2	-176	178	177.6	-178.2	0	111.8	L202 A203 I207 E208 D209	L202-K205 PolarHBondContact O-N 3Å; A203-K205 PolarHBondContact O-N 3.49Å; K205-I207 PolarHBondContact O-N 3.33Å; K205-E208 PolarHBondContact O-N 3.24Å; K205-D209 WeakPolarHBondContact CE-OD2 3.15Å; K205-D209 WeakPolarHBondContact CG-OD2 3.38Å; K205-D209 WeakPolarHBondContact O-CB 3.13Å; K205-D209 VanDerWaalsContact O-CG 3.24Å; K205-D209 PolarHBondContact O-N 2.91Å
206	M	93.1	Very high	94.6	Very high	52 Å²	52	89.2 Å²	89.2	26%	0.256	44%	0.444	S	S	.	.	H	α-helix	trans	-61.3	-29.6	-179	-67.4	-65.5	-62	0	0	113.7	Y191 E195 L202 A203	Y191-M206 PolarHBondContact OH-O 2.96Å; E195-M206 HydrophobicContact CG-CB 4.41Å; L202-M206 WeakPolarHBondContact O-CG 3.44Å; L202-M206 PolarHBondContact O-N 3.38Å; A203-M206 PolarHBondContact O-N 2.9Å
207	I	95.3	Very high	94.7	Very high	26 Å²	26	84.4 Å²	84.4	13%	0.133	42%	0.421	C	S	.	.	H	α-helix	trans	-81.8	-45.3	175.4	-64.7	162.5	0	0	0	110	W188 A203 K204 K205 R210 S211	W188-I207 HydrophobicContact CH2-CG2 4.26Å; W188-I207 WeakPolarHBondContact CH2-O 3.1Å; W188-I207 HydrophobicContact CZ2-CG2 3.61Å; A203-I207 HydrophobicContact CB-CD1 4.36Å; A203-I207 WeakPolarHBondContact O-CB 3.27Å; A203-I207 WeakPolarHBondContact O-CD1 3.18Å; A203-I207 WeakPolarHBondContact O-CG1 3.22Å; A203-I207 PolarHBondContact O-N 2.85Å; K204-I207 PolarHBondContact O-N 3.16Å; K205-I207 PolarHBondContact O-N 3.33Å; I207-R210 PolarHBondContact O-N 3.03Å; I207-S211 WeakPolarHBondContact O-CB 3.41Å; I207-S211 PolarHBondContact O-N 2.81Å
208	E	95.6	Very high	94.8	Very high	145 Å²	145	84.5 Å²	84.5	68%	0.678	40%	0.4	S	S	*	.	H	α-helix	trans	-60.5	-47.5	179.4	-174.2	170.4	-165	0	0	112.3	K204 K205 R210 S211	K204-E208 VanDerWaalsContact O-CB 3.28Å; K204-E208 WeakPolarHBondContact O-CB 3.43Å; K204-E208 PolarHBondContact O-N 3Å; K205-E208 PolarHBondContact O-N 3.24Å; E208-R210 PolarHBondContact O-N 3.22Å; E208-S211 WeakPolarHBondContact O-CB 3.32Å; E208-S211 PolarHBondContact O-N 3.29Å
209	D	95.2	Very high	95	Very high	97 Å²	97	85.6 Å²	85.6	52%	0.519	40%	0.4	S	S	.	.	H	α-helix	trans	-55.9	-22.8	178.9	-74.5	-14.3	0	0	0	113.1	K205	K205-D209 WeakPolarHBondContact CE-OD2 3.15Å; K205-D209 WeakPolarHBondContact CG-OD2 3.38Å; K205-D209 WeakPolarHBondContact O-CB 3.13Å; K205-D209 VanDerWaalsContact O-CG 3.24Å; K205-D209 PolarHBondContact O-N 2.91Å
210	R	95.4	Very high	95.3	Very high	104 Å²	104	82.6 Å²	82.6	39%	0.392	38%	0.384	S	S	.	.	H	α-helix	trans	-111.7	-8	179.4	-65	-57.1	-167.6	-177.4	-0.3	114.7	W188 I207 E208 R212 D213 Y214	W188-R210 HydrophobicContact CH2-CB 3.96Å; W188-R210 HydrophobicContact CZ3-CB 4.13Å; I207-R210 PolarHBondContact O-N 3.03Å; E208-R210 PolarHBondContact O-N 3.22Å; R210-R212 VanDerWaalsContact C-N 3.3Å; R210-R212 PolarHBondContact O-N 3.45Å; R210-D213 IonicContact NH1-OD2 3.55Å; R210-D213 PolarHBondContact O-N 3.49Å; R210-Y214 PolarHBondContact O-N 2.81Å; R210-Y214 VanDerWaalsContact O-N 3.15Å
211	S	95.5	Very high	95.5	Very high	48 Å²	48	78.5 Å²	78.5	34%	0.336	36%	0.359	S	S	.	.	H	α-helix	trans	-60.7	-38.1	-172.8	-176.2	0	0	0	0	112.6	I207 E208 M215	I207-S211 WeakPolarHBondContact O-CB 3.41Å; I207-S211 PolarHBondContact O-N 2.81Å; E208-S211 WeakPolarHBondContact O-CB 3.32Å; E208-S211 PolarHBondContact O-N 3.29Å; S211-M215 WeakPolarHBondContact O-CB 3.39Å; S211-M215 VanDerWaalsContact O-CG 3.26Å; S211-M215 WeakPolarHBondContact O-CG 3.42Å; S211-M215 PolarHBondContact O-N 3.21Å
212	R	95.8	Very high	95.8	Very high	216 Å²	216	75.5 Å²	75.5	82%	0.815	34%	0.344	S	S	*	.	H	α-helix	trans	-61.6	-48.7	178.6	-172.3	-175.4	-63	163.4	2.5	112.4	R210 M215 N216	R210-R212 VanDerWaalsContact C-N 3.3Å; R210-R212 PolarHBondContact O-N 3.45Å; R212-M215 PolarHBondContact O-N 3.38Å; R212-N216 PolarHBondContact O-N 2.96Å; R212-N216 VanDerWaalsContact O-N 3.11Å
213	D	94.7	Very high	96	Very high	63 Å²	63	73.5 Å²	73.5	34%	0.337	33%	0.332	S	S	.	.	H	α-helix	trans	-66	-43.3	-178.5	-58.7	-23.6	0	0	0	110.7	V178 R210 N216 A217	V178-D213 HydrophobicContact CG1-CB 4.42Å; V178-D213 HydrophobicContact CG2-CB 3.95Å; R210-D213 IonicContact NH1-OD2 3.55Å; R210-D213 PolarHBondContact O-N 3.49Å; D213-N216 WeakPolarHBondContact O-CB 3.38Å; D213-N216 PolarHBondContact O-N 3.18Å; D213-A217 PolarHBondContact O-N 3.07Å
214	Y	97.3	Very high	96.1	Very high	17 Å²	17	73.4 Å²	73.4	7%	0.067	33%	0.331	C	S	.	.	H	α-helix	trans	-59.8	-45.1	173.9	161.1	-108.3	0	0	0	112.3	I184 E185 W188 R210 N216 A217 R218	I184-Y214 HydrophobicContact CD1-CD2 4.47Å; I184-Y214 HydrophobicContact CG1-CD2 4.43Å; I184-Y214 HydrophobicContact CG1-CE2 4.22Å; E185-Y214 WeakPolarHBondContact CA-OH 3.48Å; W188-Y214 HydrophobicContact CB-CD2 3.88Å; W188-Y214 HydrophobicContact CB-CE1 4.09Å; W188-Y214 HydrophobicContact CB-CE2 3.38Å; W188-Y214 HydrophobicContact CB-CG 4.41Å; W188-Y214 VanDerWaalsContact CB-CZ 3.48Å; W188-Y214 AromaticContact CD1-CD1 3.91Å; W188-Y214 AromaticContact CD1-CE1 3.41Å; W188-Y214 VanDerWaalsContact CD1-CE1 3.41Å; W188-Y214 AromaticContact CD1-CZ 3.64Å; W188-Y214 AromaticContact CD2-CD1 3.46Å; W188-Y214 HydrophobicContact CD2-CD1 3.46Å; W188-Y214 VanDerWaalsContact CD2-CD1 3.46Å; W188-Y214 AromaticContact CD2-CD2 3.84Å; W188-Y214 HydrophobicContact CD2-CD2 3.84Å; W188-Y214 AromaticContact CD2-CE1 3.76Å; W188-Y214 HydrophobicContact CD2-CE1 3.76Å; W188-Y214 HydrophobicContact CD2-CE2 4.12Å; W188-Y214 AromaticContact CD2-CG 3.5Å; W188-Y214 HydrophobicContact CD2-CG 3.5Å; W188-Y214 VanDerWaalsContact CD2-CG 3.5Å; W188-Y214 AromaticContact CE2-CD1 3.5Å; W188-Y214 VanDerWaalsContact CE2-CD1 3.5Å; W188-Y214 AromaticContact CE2-CE1 3.84Å; W188-Y214 AromaticContact CE2-CG 3.96Å; W188-Y214 AromaticContact CE3-CD1 3.94Å; W188-Y214 HydrophobicContact CE3-CD1 3.94Å; W188-Y214 AromaticContact CE3-CD2 3.81Å; W188-Y214 HydrophobicContact CE3-CD2 3.81Å; W188-Y214 HydrophobicContact CE3-CE2 4.48Å; W188-Y214 AromaticContact CE3-CG 3.49Å; W188-Y214 HydrophobicContact CE3-CG 3.49Å; W188-Y214 VanDerWaalsContact CE3-CG 3.49Å; W188-Y214 AromaticContact CG-CD1 3.73Å; W188-Y214 HydrophobicContact CG-CD1 3.73Å; W188-Y214 AromaticContact CG-CD2 3.9Å; W188-Y214 HydrophobicContact CG-CD2 3.9Å; W188-Y214 AromaticContact CG-CE1 3.47Å; W188-Y214 HydrophobicContact CG-CE1 3.47Å; W188-Y214 VanDerWaalsContact CG-CE1 3.47Å; W188-Y214 AromaticContact CG-CE2 3.66Å; W188-Y214 HydrophobicContact CG-CE2 3.66Å; W188-Y214 AromaticContact CG-CG 3.92Å; W188-Y214 HydrophobicContact CG-CG 3.92Å; W188-Y214 AromaticContact CG-CZ 3.42Å; W188-Y214 VanDerWaalsContact CG-CZ 3.42Å; W188-Y214 HydrophobicContact CH2-CD1 4.42Å; W188-Y214 HydrophobicContact CH2-CG 4.38Å; W188-Y214 AromaticContact CZ2-CD1 3.99Å; W188-Y214 HydrophobicContact CZ2-CD1 3.99Å; W188-Y214 HydrophobicContact CZ2-CG 4.37Å; W188-Y214 HydrophobicContact CZ3-CD1 4.4Å; W188-Y214 AromaticContact CZ3-CG 3.96Å; W188-Y214 HydrophobicContact CZ3-CG 3.96Å; W188-Y214 AromaticContact NE1-CD1 3.76Å; W188-Y214 AromaticContact NE1-CE1 3.61Å; R210-Y214 PolarHBondContact O-N 2.81Å; R210-Y214 VanDerWaalsContact O-N 3.15Å; Y214-N216 VanDerWaalsContact C-N 3.27Å; Y214-N216 PolarHBondContact O-N 3.49Å; Y214-A217 PolarHBondContact O-N 3Å; Y214-R218 HydrophobicContact CE2-CB 4.14Å; Y214-R218 VanDerWaalsContact O-CB 3.24Å; Y214-R218 WeakPolarHBondContact O-CB 3.46Å; Y214-R218 PolarHBondContact O-N 3.12Å
215	M	97.2	Very high	96.2	Very high	98 Å²	98	70.9 Å²	70.9	48%	0.483	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-33.2	178.7	-75	-68.8	-76.8	0	0	112.3	S211 R212 R219	S211-M215 WeakPolarHBondContact O-CB 3.39Å; S211-M215 VanDerWaalsContact O-CG 3.26Å; S211-M215 WeakPolarHBondContact O-CG 3.42Å; S211-M215 PolarHBondContact O-N 3.21Å; R212-M215 PolarHBondContact O-N 3.38Å; M215-R219 PolarHBondContact O-N 2.86Å
216	N	96.9	Very high	96.2	Very high	49 Å²	49	69.6 Å²	69.6	26%	0.262	33%	0.325	S	S	.	.	H	α-helix	trans	-66.8	-50.7	171.6	-168.8	38.9	0	0	0	111.4	R212 D213 Y214 R218 R219 V220 L265	R212-N216 PolarHBondContact O-N 2.96Å; R212-N216 VanDerWaalsContact O-N 3.11Å; D213-N216 WeakPolarHBondContact O-CB 3.38Å; D213-N216 PolarHBondContact O-N 3.18Å; Y214-N216 VanDerWaalsContact C-N 3.27Å; Y214-N216 PolarHBondContact O-N 3.49Å; N216-R218 VanDerWaalsContact C-N 3.33Å; N216-R218 PolarHBondContact O-N 3.18Å; N216-R219 PolarHBondContact O-N 3.36Å; N216-R219 VanDerWaalsContact OD1-CZ 3.26Å; N216-R219 PolarHBondContact OD1-NH1 3.09Å; N216-R219 PolarHBondContact OD1-NH2 3.33Å; N216-V220 PolarHBondContact O-N 3.02Å; N216-V220 VanDerWaalsContact O-N 3.13Å; N216-L265 PolarHBondContact ND2-O 3.3Å
217	A	97	Very high	96.3	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.5	-38.4	178.4	0	0	0	0	0	112.7	V178 I184 D213 Y214 V220 A221	V178-A217 WeakPolarHBondContact O-CB 3.28Å; I184-A217 HydrophobicContact CD1-CB 3.89Å; D213-A217 PolarHBondContact O-N 3.07Å; Y214-A217 PolarHBondContact O-N 3Å; A217-V220 PolarHBondContact O-N 2.98Å; A217-A221 WeakPolarHBondContact O-CB 3.37Å; A217-A221 PolarHBondContact O-N 3.45Å
218	R	97.9	Very high	96.2	Very high	73 Å²	73	67.8 Å²	67.8	28%	0.275	32%	0.317	S	S	.	.	H	α-helix	trans	-64.1	-40.6	175.3	-178	-168.4	173.2	-125.4	1.8	112.4	I184 E185 Y214 N216 A221	I184-R218 HydrophobicContact CG2-CB 4.43Å; I184-R218 HydrophobicContact CG2-CG 4.38Å; E185-R218 HydrophobicContact CG-CG 4.25Å; E185-R218 IonicContact OE1-CZ 2.74Å; E185-R218 IonicContact OE1-NE 3.73Å; E185-R218 PolarHBondContact OE1-NE 3.03Å; E185-R218 IonicContact OE1-NH2 3.2Å; E185-R218 PolarHBondContact OE1-NH2 3.24Å; E185-R218 IonicContact OE2-NH2 3.48Å; Y214-R218 HydrophobicContact CE2-CB 4.14Å; Y214-R218 VanDerWaalsContact O-CB 3.24Å; Y214-R218 WeakPolarHBondContact O-CB 3.46Å; Y214-R218 PolarHBondContact O-N 3.12Å; N216-R218 VanDerWaalsContact C-N 3.33Å; N216-R218 PolarHBondContact O-N 3.18Å; R218-A221 PolarHBondContact O-N 2.73Å
219	R	97.6	Very high	96	Very high	87 Å²	87	69.4 Å²	69.4	33%	0.328	32%	0.322	S	S	.	.	H	α-helix	trans	-60.6	-51.7	174.2	-172.6	-163.9	67.3	-107.1	-4.5	109.7	M215 N216 A221 K222 E223 P264	M215-R219 PolarHBondContact O-N 2.86Å; N216-R219 PolarHBondContact O-N 3.36Å; N216-R219 VanDerWaalsContact OD1-CZ 3.26Å; N216-R219 PolarHBondContact OD1-NH1 3.09Å; N216-R219 PolarHBondContact OD1-NH2 3.33Å; R219-A221 VanDerWaalsContact C-N 3.27Å; R219-A221 PolarHBondContact O-N 3.43Å; R219-K222 PolarHBondContact O-N 3.41Å; R219-K222 VanDerWaalsContact O-N 3.14Å; R219-E223 WeakPolarHBondContact CD-OE1 3.22Å; R219-E223 WeakPolarHBondContact CG-OE1 3.4Å; R219-E223 IonicContact NE-OE1 3.5Å; R219-E223 PolarHBondContact NE-OE1 3.27Å; R219-E223 PolarHBondContact O-N 3.05Å; R219-P264 PolarHBondContact NH2-O 3.46Å
220	V	97.8	Very high	95.8	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.7	-31.9	179.7	175.5	0	0	0	0	112.3	P180 N216 A217 K222 E223 Y224 W259 P264 L265	P180-V220 HydrophobicContact CB-CB 4.38Å; P180-V220 HydrophobicContact CB-CG1 3.97Å; P180-V220 HydrophobicContact CG-CB 4.06Å; P180-V220 HydrophobicContact CG-CG1 3.69Å; N216-V220 PolarHBondContact O-N 3.02Å; N216-V220 VanDerWaalsContact O-N 3.13Å; A217-V220 PolarHBondContact O-N 2.98Å; V220-K222 VanDerWaalsContact C-N 3.29Å; V220-K222 PolarHBondContact O-N 3.3Å; V220-E223 PolarHBondContact O-N 3.47Å; V220-Y224 VanDerWaalsContact O-CB 3.29Å; V220-Y224 WeakPolarHBondContact O-CB 3.48Å; V220-Y224 PolarHBondContact O-N 3.08Å; V220-W259 HydrophobicContact CG1-CH2 3.91Å; V220-W259 HydrophobicContact CG1-CZ2 3.96Å; V220-P264 HydrophobicContact CG1-CB 3.81Å; V220-P264 HydrophobicContact CG2-CB 4Å; V220-P264 WeakPolarHBondContact CG2-O 3.4Å; V220-L265 HydrophobicContact CB-CD2 4.12Å; V220-L265 HydrophobicContact CG1-CD2 4.25Å; V220-L265 HydrophobicContact CG1-CG 4.28Å; V220-L265 HydrophobicContact CG2-CD2 3.95Å; V220-L265 HydrophobicContact CG2-CG 4.32Å
221	A	97.4	Very high	95.8	Very high	6 Å²	6	62.8 Å²	62.8	5%	0.05	31%	0.306	C	S	.	.	H	α-helix	trans	-60.8	-36	176.1	0	0	0	0	0	112.8	P180 I184 A217 R218 R219 Y224 E225	P180-A221 HydrophobicContact CB-CB 4.17Å; I184-A221 HydrophobicContact CG2-CB 4Å; A217-A221 WeakPolarHBondContact O-CB 3.37Å; A217-A221 PolarHBondContact O-N 3.45Å; R218-A221 PolarHBondContact O-N 2.73Å; R219-A221 VanDerWaalsContact C-N 3.27Å; R219-A221 PolarHBondContact O-N 3.43Å; A221-Y224 PolarHBondContact O-N 2.94Å; A221-E225 WeakPolarHBondContact O-CB 3.37Å; A221-E225 PolarHBondContact O-N 2.94Å
222	K	96.8	Very high	95.6	Very high	105 Å²	105	63.7 Å²	63.7	46%	0.457	31%	0.307	S	S	.	.	H	α-helix	trans	-74.5	-37.6	176.8	-62	-172.9	179.1	-167	0	112.5	E185 R219 V220 Y224 T226	E185-K222 IonicContact OE1-NZ 2.68Å; R219-K222 PolarHBondContact O-N 3.41Å; R219-K222 VanDerWaalsContact O-N 3.14Å; V220-K222 VanDerWaalsContact C-N 3.29Å; V220-K222 PolarHBondContact O-N 3.3Å; K222-Y224 VanDerWaalsContact C-N 3.32Å; K222-T226 PolarHBondContact O-N 2.94Å; K222-T226 PolarHBondContact O-OG1 3.1Å
223	E	96.9	Very high	95.5	Very high	64 Å²	64	56.5 Å²	56.5	30%	0.299	28%	0.28	S	S	.	.	H	α-helix	trans	-62.3	-43.2	170.7	-63	171.8	-144.2	0	0	110.2	R219 V220 T226 V227 W259	R219-E223 WeakPolarHBondContact CD-OE1 3.22Å; R219-E223 WeakPolarHBondContact CG-OE1 3.4Å; R219-E223 IonicContact NE-OE1 3.5Å; R219-E223 PolarHBondContact NE-OE1 3.27Å; R219-E223 PolarHBondContact O-N 3.05Å; V220-E223 PolarHBondContact O-N 3.47Å; E223-T226 WeakPolarHBondContact O-CB 3.43Å; E223-T226 PolarHBondContact O-N 3.05Å; E223-T226 VanDerWaalsContact O-N 3.16Å; E223-V227 PolarHBondContact O-N 3.27Å; E223-V227 VanDerWaalsContact O-N 3.16Å; E223-W259 HydrophobicContact CB-CZ2 3.67Å
224	Y	96.8	Very high	95.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.7	-45.4	178.8	-167.9	-157.1	0	0	0	112	I138 P180 V220 A221 K222 T226 V227 M228 Y256 W259	I138-Y224 HydrophobicContact CB-CD1 3.99Å; I138-Y224 HydrophobicContact CB-CE1 3.54Å; I138-Y224 HydrophobicContact CD1-CD1 3.81Å; I138-Y224 HydrophobicContact CD1-CD2 4.46Å; I138-Y224 HydrophobicContact CD1-CE1 4.21Å; I138-Y224 HydrophobicContact CD1-CG 3.94Å; I138-Y224 HydrophobicContact CG1-CD1 3.75Å; I138-Y224 HydrophobicContact CG1-CE1 3.87Å; I138-Y224 HydrophobicContact CG1-CG 4.4Å; P180-Y224 HydrophobicContact CB-CD1 4.45Å; V220-Y224 VanDerWaalsContact O-CB 3.29Å; V220-Y224 WeakPolarHBondContact O-CB 3.48Å; V220-Y224 PolarHBondContact O-N 3.08Å; A221-Y224 PolarHBondContact O-N 2.94Å; K222-Y224 VanDerWaalsContact C-N 3.32Å; Y224-T226 PolarHBondContact O-N 3.45Å; Y224-V227 HydrophobicContact CD2-CG2 4.09Å; Y224-V227 WeakPolarHBondContact O-CG2 3.49Å; Y224-V227 PolarHBondContact O-N 3.49Å; Y224-M228 HydrophobicContact CD2-CG 3.5Å; Y224-M228 VanDerWaalsContact CD2-CG 3.5Å; Y224-M228 HydrophobicContact CD2-SD 4.31Å; Y224-M228 HydrophobicContact CE2-CE 4.26Å; Y224-M228 HydrophobicContact CE2-CG 3.26Å; Y224-M228 HydrophobicContact CE2-SD 3.54Å; Y224-M228 VanDerWaalsContact CE2-SD 3.54Å; Y224-M228 HydrophobicContact CG-CG 4.35Å; Y224-M228 WeakPolarHBondContact O-CB 3.41Å; Y224-M228 WeakPolarHBondContact O-CG 3.35Å; Y224-M228 PolarHBondContact O-N 2.9Å; Y224-Y256 HydrophobicContact CD2-CE2 4Å; Y224-Y256 HydrophobicContact CE2-CD2 4.25Å; Y224-Y256 AromaticContact CE2-CE2 3.41Å; Y224-Y256 HydrophobicContact CE2-CE2 3.41Å; Y224-Y256 VanDerWaalsContact CE2-CE2 3.41Å; Y224-Y256 AromaticContact CE2-CZ 3.6Å; Y224-Y256 WeakPolarHBondContact CE2-OH 3.48Å; Y224-Y256 PolarHBondContact OH-OH 2.77Å; Y224-W259 HydrophobicContact CD2-CE3 4.5Å; Y224-W259 AromaticContact CD2-CH2 3.86Å; Y224-W259 HydrophobicContact CD2-CH2 3.86Å; Y224-W259 AromaticContact CD2-CZ3 3.56Å; Y224-W259 HydrophobicContact CD2-CZ3 3.56Å; Y224-W259 HydrophobicContact CE2-CZ3 4.28Å; Y224-W259 AromaticContact CG-CH2 3.91Å; Y224-W259 HydrophobicContact CG-CH2 3.91Å; Y224-W259 HydrophobicContact CG-CZ3 4.09Å
225	E	95.5	Very high	95.1	Very high	109 Å²	109	57.1 Å²	57.1	51%	0.509	29%	0.288	S	S	.	.	H	α-helix	trans	-56.5	-37.5	173.9	-171.4	-177	165.5	0	0	111.9	I138 A221 K229	I138-E225 HydrophobicContact CD1-CB 4.17Å; A221-E225 WeakPolarHBondContact O-CB 3.37Å; A221-E225 PolarHBondContact O-N 2.94Å; E225-K229 WeakPolarHBondContact O-CB 3.43Å; E225-K229 PolarHBondContact O-N 3.45Å; E225-K229 VanDerWaalsContact O-N 3.15Å
226	T	95.5	Very high	94.9	Very high	103 Å²	103	53.6 Å²	53.6	63%	0.632	27%	0.273	S	S	*	.	H	α-helix	trans	-68.8	-43.2	180	-55.6	0	0	0	0	112.3	K222 E223 Y224	K222-T226 PolarHBondContact O-N 2.94Å; K222-T226 PolarHBondContact O-OG1 3.1Å; E223-T226 WeakPolarHBondContact O-CB 3.43Å; E223-T226 PolarHBondContact O-N 3.05Å; E223-T226 VanDerWaalsContact O-N 3.16Å; Y224-T226 PolarHBondContact O-N 3.45Å
227	V	94.7	Very high	94.8	Very high	27 Å²	27	51.3 Å²	51.3	16%	0.164	26%	0.261	C	S	.	.	H	α-helix	trans	-78.3	-24.1	178.9	-60.9	0	0	0	0	113.4	E223 Y224 K229 Y256 W259	E223-V227 PolarHBondContact O-N 3.27Å; E223-V227 VanDerWaalsContact O-N 3.16Å; Y224-V227 HydrophobicContact CD2-CG2 4.09Å; Y224-V227 WeakPolarHBondContact O-CG2 3.49Å; Y224-V227 PolarHBondContact O-N 3.49Å; V227-K229 VanDerWaalsContact C-N 3.35Å; V227-Y256 HydrophobicContact CG2-CD2 3.83Å; V227-W259 HydrophobicContact CG1-CB 4.23Å; V227-W259 HydrophobicContact CG1-CD2 4.24Å; V227-W259 HydrophobicContact CG1-CG 3.97Å; V227-W259 HydrophobicContact CG2-CD2 3.89Å; V227-W259 HydrophobicContact CG2-CE3 3.7Å; V227-W259 HydrophobicContact CG2-CG 4.41Å; V227-W259 HydrophobicContact CG2-CZ3 4.1Å
228	M	93	Very high	94.6	Very high	12 Å²	12	52.5 Å²	52.5	6%	0.059	27%	0.268	C	S	.	.	H	α-helix	trans	-81.1	-14.6	174.4	-67.1	-66.7	-79.9	0	0	113.1	I138 Y224 G230 L231 Y256	I138-M228 HydrophobicContact CD1-CB 4.07Å; I138-M228 HydrophobicContact CD1-CG 4Å; I138-M228 HydrophobicContact CG2-CE 3.98Å; I138-M228 HydrophobicContact CG2-CG 4.45Å; Y224-M228 HydrophobicContact CD2-CG 3.5Å; Y224-M228 VanDerWaalsContact CD2-CG 3.5Å; Y224-M228 HydrophobicContact CD2-SD 4.31Å; Y224-M228 HydrophobicContact CE2-CE 4.26Å; Y224-M228 HydrophobicContact CE2-CG 3.26Å; Y224-M228 HydrophobicContact CE2-SD 3.54Å; Y224-M228 VanDerWaalsContact CE2-SD 3.54Å; Y224-M228 HydrophobicContact CG-CG 4.35Å; Y224-M228 WeakPolarHBondContact O-CB 3.41Å; Y224-M228 WeakPolarHBondContact O-CG 3.35Å; Y224-M228 PolarHBondContact O-N 2.9Å; M228-G230 PolarHBondContact O-N 2.96Å; M228-L231 HydrophobicContact SD-CD1 3.85Å; M228-Y256 HydrophobicContact SD-CD1 3.93Å; M228-Y256 HydrophobicContact SD-CD2 4.35Å; M228-Y256 HydrophobicContact SD-CE1 3.79Å; M228-Y256 HydrophobicContact SD-CE2 4.3Å; M228-Y256 HydrophobicContact SD-CG 4.23Å
229	K	91.9	Very high	94.3	Very high	179 Å²	179	51 Å²	51	78%	0.778	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	117.9	178.8	-174.8	176.8	-178.8	178.1	0	110.8	E225 V227	E225-K229 WeakPolarHBondContact O-CB 3.43Å; E225-K229 PolarHBondContact O-N 3.45Å; E225-K229 VanDerWaalsContact O-N 3.15Å; V227-K229 VanDerWaalsContact C-N 3.35Å
230	G	90.4	Very high	93.9	Very high	48 Å²	48	49.8 Å²	49.8	50%	0.495	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.3	-15.3	-179.8	0	0	0	0	0	114.4	M228 D232 Q249 M252	M228-G230 PolarHBondContact O-N 2.96Å; G230-D232 PolarHBondContact O-N 3.17Å; G230-Q249 PolarHBondContact O-NE2 3.18Å; G230-M252 WeakPolarHBondContact O-CE 3.34Å
231	L	94.6	Very high	93.3	Very high	15 Å²	15	55.6 Å²	55.6	8%	0.079	30%	0.298	C	S	.	.			trans	-69.2	126.6	170.3	-67	-179.5	0	0	0	110.9	M228 M252 W253 Y256	M228-L231 HydrophobicContact SD-CD1 3.85Å; L231-M252 HydrophobicContact CD2-CB 3.47Å; L231-M252 VanDerWaalsContact CD2-CB 3.47Å; L231-W253 HydrophobicContact CB-CZ2 4.37Å; L231-W253 HydrophobicContact CD1-CD2 4.17Å; L231-W253 HydrophobicContact CD1-CE3 4.01Å; L231-W253 HydrophobicContact CD1-CH2 4.23Å; L231-W253 HydrophobicContact CD1-CZ2 4.38Å; L231-W253 HydrophobicContact CD1-CZ3 4.05Å; L231-W253 HydrophobicContact CD2-CB 4.46Å; L231-W253 HydrophobicContact CD2-CD2 3.88Å; L231-W253 HydrophobicContact CD2-CE3 4.49Å; L231-W253 HydrophobicContact CD2-CG 3.84Å; L231-Y256 HydrophobicContact CD1-CD1 4.11Å; L231-Y256 HydrophobicContact CD1-CG 4.37Å
232	D	92.8	Very high	92.6	Very high	67 Å²	67	62.4 Å²	62.4	36%	0.358	33%	0.334	S	S	.	.			trans	-80.3	122.9	162.1	-164.3	-14.8	0	0	0	109.6	G230 N234 A235	G230-D232 PolarHBondContact O-N 3.17Å; D232-N234 WeakPolarHBondContact OD1-CA 3.38Å; D232-N234 PolarHBondContact OD1-N 3.1Å; D232-A235 HydrophobicContact CB-CB 4.12Å; D232-A235 PolarHBondContact OD1-N 3.34Å; D232-A235 WeakPolarHBondContact OD2-CB 3.29Å
233	R	92.3	Very high	92.2	Very high	65 Å²	65	59.5 Å²	59.5	25%	0.245	33%	0.327	C	S	.	.	S	Bend	trans	-107.3	0.4	179	-62.1	176.7	-72	160	-3.6	112.7	H98 E137 W253	H98-R233 PolarHBondContact NE2-O 3.2Å; E137-R233 IonicContact OE1-NH1 2.7Å; E137-R233 PolarHBondContact OE1-NH1 2.88Å; R233-W253 HydrophobicContact CG-CH2 4.18Å; R233-W253 HydrophobicContact CG-CZ2 4.17Å
234	N	92.5	Very high	91.9	Very high	63 Å²	63	61.9 Å²	61.9	34%	0.337	35%	0.348	S	S	.	.	S	Bend	trans	-119.4	-13.5	-176.6	-68	-69	0	0	0	113.1	H98 D232	H98-N234 PolarHBondContact NE2-OD1 3.15Å; D232-N234 WeakPolarHBondContact OD1-CA 3.38Å; D232-N234 PolarHBondContact OD1-N 3.1Å
235	A	91.9	Very high	91.6	Very high	30 Å²	30	69.2 Å²	69.2	25%	0.248	38%	0.382	C	S	.	.	S	Bend	trans	-51.9	128.2	171.5	0	0	0	0	0	110.8	D232 V287	D232-A235 HydrophobicContact CB-CB 4.12Å; D232-A235 PolarHBondContact OD1-N 3.34Å; D232-A235 WeakPolarHBondContact OD2-CB 3.29Å; A235-V287 HydrophobicContact CB-CG1 3.7Å
236	P	92.9	Very high	91.4	Very high	24 Å²	24	65.5 Å²	65.5	16%	0.156	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-65.2	144.5	174.1	-21.7	34.7	0	0	0	111.5	L33 F62 F68 V238	L33-P236 HydrophobicContact CD1-CG 4.28Å; L33-P236 HydrophobicContact CD2-CB 4.03Å; L33-P236 HydrophobicContact CD2-CG 3.9Å; F62-P236 HydrophobicContact CD1-CB 3.67Å; F62-P236 HydrophobicContact CE1-CB 3.76Å; F62-P236 HydrophobicContact CG-CB 4.37Å; F68-P236 HydrophobicContact CE2-CB 3.94Å; F68-P236 HydrophobicContact CE2-CG 3.69Å; F68-P236 HydrophobicContact CZ-CB 4.39Å; F68-P236 HydrophobicContact CZ-CG 3.64Å; P236-V238 PolarHBondContact O-N 3.01Å
237	S	94.2	Very high	91.2	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.007	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-66.7	120.2	172.9	176.9	0	0	0	0	111.1	F62 S64 V287 G289 H290	F62-S237 WeakPolarHBondContact CD1-O 3.43Å; S64-S237 WeakPolarHBondContact OG-CB 3.45Å; S237-V287 VanDerWaalsContact CA-O 3.24Å; S237-V287 WeakPolarHBondContact CA-O 3.46Å; S237-G289 PolarHBondContact OG-N 2.9Å; S237-H290 PolarHBondContact OG-CD2 3.19Å; S237-H290 PolarHBondContact OG-N 3.49Å
238	V	92.4	Very high	91.2	Very high	24 Å²	24	67.5 Å²	67.5	15%	0.145	38%	0.375	C	S	.	.			trans	-127.1	145.8	178.6	178.3	0	0	0	0	108.6	Y31 L33 F62 P236 H290	Y31-V238 HydrophobicContact CG-CG1 4.35Å; L33-V238 HydrophobicContact CD2-CG2 4.33Å; F62-V238 HydrophobicContact CE1-CG2 4.23Å; P236-V238 PolarHBondContact O-N 3.01Å; V238-H290 VanDerWaalsContact C-CD2 3.48Å
239	P	91.8	Very high	91.3	Very high	42 Å²	42	69 Å²	69	27%	0.273	38%	0.382	S	S	.	.			trans	-59.5	150.2	172.7	-25.1	35.5	0	0	0	112.8	Y31 Q241 H290	Y31-P239 HydrophobicContact CD2-CG 4.03Å; Y31-P239 HydrophobicContact CE1-CG 4.35Å; Y31-P239 HydrophobicContact CE2-CG 3.61Å; P239-Q241 PolarHBondContact O-N 3.29Å; P239-H290 HydrophobicContact CB-CB 4.36Å; P239-H290 HydrophobicContact CG-CB 4.37Å
240	P	90.4	Very high	91.4	Very high	62 Å²	62	61.6 Å²	61.6	40%	0.403	35%	0.351	S	S	.	.			trans	-55.4	121.8	-176	-23.4	31.1	0	0	0	113.1	E246	P240-E246 WeakPolarHBondContact CA-OE1 3.48Å
241	Q	84.3	Confident	91.7	Very high	121 Å²	121	66 Å²	66	57%	0.565	36%	0.359	S	S	*	.			trans	-105.5	-2.3	174.8	-64.4	-176.1	9.1	0	0	112.1	P239 S243 E246	P239-Q241 PolarHBondContact O-N 3.29Å; Q241-S243 PolarHBondContact O-N 3.16Å; Q241-E246 PolarHBondContact N-OE2 3.27Å
242	N	82.9	Confident	91.8	Very high	149 Å²	149	67.4 Å²	67.4	80%	0.797	37%	0.366	S	S	*	.			trans	57.8	31.9	-175.4	-60.3	-39	0	0	0	113	E246	N242-E246 PolarHBondContact N-OE2 2.94Å
243	S	89.2	Confident	92	Very high	45 Å²	45	64.3 Å²	64.3	32%	0.315	35%	0.349	S	S	.	.			trans	-71.7	147.2	174.5	77.8	0	0	0	0	110.8	Q241 Q245 E246 A247	Q241-S243 PolarHBondContact O-N 3.16Å; S243-Q245 PolarHBondContact O-N 3.31Å; S243-E246 PolarHBondContact O-N 3.27Å; S243-E246 WeakPolarHBondContact OG-CB 3.41Å; S243-E246 PolarHBondContact OG-N 3.4Å; S243-E246 VanDerWaalsContact OG-N 3.12Å; S243-A247 PolarHBondContact O-N 3.4Å
244	P	90.8	Very high	92.2	Very high	113 Å²	113	63.6 Å²	63.6	73%	0.734	35%	0.348	S	S	*	.	H	α-helix	trans	-59.6	-33.6	178.5	-26.2	35.1	0	0	0	113.6	Q248	P244-Q248 WeakPolarHBondContact O-CB 3.26Å; P244-Q248 PolarHBondContact O-N 2.78Å
245	Q	90	Very high	92.4	Very high	155 Å²	155	67 Å²	67	72%	0.724	36%	0.36	S	S	*	.	H	α-helix	trans	-70.6	-40.4	177.8	-65.2	179	-0.2	0	0	111.8	S243 Q248 Q249	S243-Q245 PolarHBondContact O-N 3.31Å; Q245-Q248 PolarHBondContact O-N 3.42Å; Q245-Q249 WeakPolarHBondContact O-CG 3.49Å; Q245-Q249 PolarHBondContact O-N 2.83Å
246	E	91	Very high	92.7	Very high	31 Å²	31	65.6 Å²	65.6	15%	0.145	35%	0.348	C	S	.	.	H	α-helix	trans	-62.1	-49.3	173.1	177.6	177.4	-153.3	0	0	110.9	P240 Q241 N242 S243 Q248 Q249 V250 H291	P240-E246 WeakPolarHBondContact CA-OE1 3.48Å; Q241-E246 PolarHBondContact N-OE2 3.27Å; N242-E246 PolarHBondContact N-OE2 2.94Å; S243-E246 PolarHBondContact O-N 3.27Å; S243-E246 WeakPolarHBondContact OG-CB 3.41Å; S243-E246 PolarHBondContact OG-N 3.4Å; S243-E246 VanDerWaalsContact OG-N 3.12Å; E246-Q248 VanDerWaalsContact C-N 3.3Å; E246-Q248 PolarHBondContact O-N 2.78Å; E246-Q249 PolarHBondContact O-N 3.38Å; E246-Q249 VanDerWaalsContact O-N 3.09Å; E246-V250 HydrophobicContact CG-CG2 4.37Å; E246-V250 VanDerWaalsContact O-CG2 3.32Å; E246-V250 WeakPolarHBondContact O-CG2 3.41Å; E246-V250 PolarHBondContact O-N 3.23Å; E246-H291 IonicContact OE1-CE1 2.71Å; E246-H291 PolarHBondContact OE1-CE1 3.18Å; E246-H291 VanDerWaalsContact OE1-CE1 3.31Å; E246-H291 IonicContact OE1-NE2 3.58Å; E246-H291 PolarHBondContact OE1-NE2 3.02Å
247	A	92.1	Very high	92.9	Very high	58 Å²	58	64.6 Å²	64.6	48%	0.479	34%	0.341	S	S	.	.	H	α-helix	trans	-57.7	-41.9	178.3	0	0	0	0	0	112.2	S243 V250 E251	S243-A247 PolarHBondContact O-N 3.4Å; A247-V250 PolarHBondContact O-N 3.35Å; A247-E251 PolarHBondContact O-N 3.11Å
248	Q	94.2	Very high	93.1	Very high	113 Å²	113	70.6 Å²	70.6	53%	0.528	37%	0.369	S	S	.	.	H	α-helix	trans	-63.6	-41.6	174.9	-169.7	-176.4	16.9	0	0	112.4	P244 Q245 E246 E251 M252	P244-Q248 WeakPolarHBondContact O-CB 3.26Å; P244-Q248 PolarHBondContact O-N 2.78Å; Q245-Q248 PolarHBondContact O-N 3.42Å; E246-Q248 VanDerWaalsContact C-N 3.3Å; E246-Q248 PolarHBondContact O-N 2.78Å; Q248-E251 PolarHBondContact O-N 3.06Å; Q248-M252 HydrophobicContact CG-CE 4.3Å; Q248-M252 WeakPolarHBondContact O-CG 3.48Å; Q248-M252 PolarHBondContact O-N 3.33Å; Q248-M252 VanDerWaalsContact O-N 3.1Å
249	Q	94.6	Very high	93.3	Very high	43 Å²	43	71.2 Å²	71.2	20%	0.201	37%	0.369	C	S	.	.	H	α-helix	trans	-65.5	-42.3	175.1	-72.6	-68.7	-31	0	0	111.6	G230 Q245 E246 E251 M252 W253	G230-Q249 PolarHBondContact O-NE2 3.18Å; Q245-Q249 WeakPolarHBondContact O-CG 3.49Å; Q245-Q249 PolarHBondContact O-N 2.83Å; E246-Q249 PolarHBondContact O-N 3.38Å; E246-Q249 VanDerWaalsContact O-N 3.09Å; Q249-E251 VanDerWaalsContact C-N 3.34Å; Q249-E251 PolarHBondContact O-N 3.13Å; Q249-M252 HydrophobicContact CG-CE 4.31Å; Q249-M252 PolarHBondContact O-N 3.34Å; Q249-W253 PolarHBondContact O-N 3.23Å
250	V	95.2	Very high	93.6	Very high	24 Å²	24	69.5 Å²	69.5	15%	0.145	36%	0.357	C	S	.	.	H	α-helix	trans	-57.3	-46.3	174.7	173.1	0	0	0	0	110.9	E246 A247 M252 W253 K254 L288	E246-V250 HydrophobicContact CG-CG2 4.37Å; E246-V250 VanDerWaalsContact O-CG2 3.32Å; E246-V250 WeakPolarHBondContact O-CG2 3.41Å; E246-V250 PolarHBondContact O-N 3.23Å; A247-V250 PolarHBondContact O-N 3.35Å; V250-M252 PolarHBondContact O-N 2.91Å; V250-W253 PolarHBondContact O-N 3.3Å; V250-K254 WeakPolarHBondContact O-CG 3.35Å; V250-K254 PolarHBondContact O-N 3Å; V250-L288 HydrophobicContact CB-CD1 4.36Å; V250-L288 HydrophobicContact CG2-CD1 3.78Å; V250-L288 HydrophobicContact CG2-CD2 4.05Å
251	E	95.3	Very high	93.9	Very high	140 Å²	140	70 Å²	70	65%	0.654	35%	0.353	S	S	*	.	H	α-helix	trans	-60.2	-46.6	177.3	-169.8	-171.9	163.3	0	0	111.8	A247 Q248 Q249 W253 K254 K255	A247-E251 PolarHBondContact O-N 3.11Å; Q248-E251 PolarHBondContact O-N 3.06Å; Q249-E251 VanDerWaalsContact C-N 3.34Å; Q249-E251 PolarHBondContact O-N 3.13Å; E251-W253 PolarHBondContact O-N 3.05Å; E251-K254 PolarHBondContact O-N 3.3Å; E251-K255 WeakPolarHBondContact O-CB 3.42Å; E251-K255 PolarHBondContact O-N 3.01Å
252	M	96.4	Very high	94.6	Very high	46 Å²	46	68.1 Å²	68.1	23%	0.227	35%	0.353	C	S	.	.	H	α-helix	trans	-63.8	-39.9	177.9	-68.5	-172.3	-64.6	0	0	112.3	G230 L231 Q248 Q249 V250 K255 Y256	G230-M252 WeakPolarHBondContact O-CE 3.34Å; L231-M252 HydrophobicContact CD2-CB 3.47Å; L231-M252 VanDerWaalsContact CD2-CB 3.47Å; Q248-M252 HydrophobicContact CG-CE 4.3Å; Q248-M252 WeakPolarHBondContact O-CG 3.48Å; Q248-M252 PolarHBondContact O-N 3.33Å; Q248-M252 VanDerWaalsContact O-N 3.1Å; Q249-M252 HydrophobicContact CG-CE 4.31Å; Q249-M252 PolarHBondContact O-N 3.34Å; V250-M252 PolarHBondContact O-N 2.91Å; M252-K255 WeakPolarHBondContact O-CB 3.28Å; M252-K255 PolarHBondContact O-N 3.28Å; M252-Y256 PolarHBondContact O-N 3.15Å
253	W	97.6	Very high	95.3	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-64.3	-44	175.2	-84.8	111.6	0	0	0	111.9	L231 R233 Q249 V250 E251 K255 Y256 I257 Q283 C284 V287 L288	L231-W253 HydrophobicContact CB-CZ2 4.37Å; L231-W253 HydrophobicContact CD1-CD2 4.17Å; L231-W253 HydrophobicContact CD1-CE3 4.01Å; L231-W253 HydrophobicContact CD1-CH2 4.23Å; L231-W253 HydrophobicContact CD1-CZ2 4.38Å; L231-W253 HydrophobicContact CD1-CZ3 4.05Å; L231-W253 HydrophobicContact CD2-CB 4.46Å; L231-W253 HydrophobicContact CD2-CD2 3.88Å; L231-W253 HydrophobicContact CD2-CE3 4.49Å; L231-W253 HydrophobicContact CD2-CG 3.84Å; R233-W253 HydrophobicContact CG-CH2 4.18Å; R233-W253 HydrophobicContact CG-CZ2 4.17Å; Q249-W253 PolarHBondContact O-N 3.23Å; V250-W253 PolarHBondContact O-N 3.3Å; E251-W253 PolarHBondContact O-N 3.05Å; W253-K255 VanDerWaalsContact C-N 3.32Å; W253-K255 PolarHBondContact O-N 2.87Å; W253-Y256 AromaticContact CE3-CD1 3.92Å; W253-Y256 HydrophobicContact CE3-CD1 3.92Å; W253-Y256 AromaticContact CZ3-CD1 3.82Å; W253-Y256 HydrophobicContact CZ3-CD1 3.82Å; W253-Y256 HydrophobicContact CZ3-CE1 4.1Å; W253-Y256 PolarHBondContact O-N 3.2Å; W253-I257 WeakPolarHBondContact O-CG1 3.26Å; W253-I257 PolarHBondContact O-N 3.42Å; W253-Q283 HydrophobicContact CH2-CB 3.88Å; W253-Q283 HydrophobicContact CZ3-CB 3.83Å; W253-C284 HydrophobicContact CD2-CB 4.03Å; W253-C284 HydrophobicContact CE3-CB 3.58Å; W253-C284 HydrophobicContact CZ3-CB 4.02Å; W253-V287 HydrophobicContact CZ2-CG2 4.26Å; W253-L288 HydrophobicContact CB-CD1 4.1Å; W253-L288 HydrophobicContact CG-CD1 3.96Å
254	K	96.4	Very high	95.6	Very high	50 Å²	50	61 Å²	61	22%	0.217	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-38	174.6	-69.1	-161.2	-176.6	-152.7	0	111.8	V250 E251 I257 Q258 D293 E297	V250-K254 WeakPolarHBondContact O-CG 3.35Å; V250-K254 PolarHBondContact O-N 3Å; E251-K254 PolarHBondContact O-N 3.3Å; K254-I257 PolarHBondContact O-N 3.45Å; K254-Q258 WeakPolarHBondContact O-CB 3.38Å; K254-Q258 VanDerWaalsContact O-CG 3.26Å; K254-Q258 WeakPolarHBondContact O-CG 3.33Å; K254-Q258 PolarHBondContact O-N 3.4Å; K254-D293 WeakPolarHBondContact CE-OD2 3.26Å; K254-D293 IonicContact NZ-OD2 2.79Å; K254-D293 PolarHBondContact NZ-OD2 3.41Å; K254-E297 IonicContact NZ-OE1 2.75Å; K254-E297 PolarHBondContact NZ-OE1 3.46Å
255	K	97.1	Very high	95.8	Very high	135 Å²	135	56.6 Å²	56.6	59%	0.587	28%	0.282	S	S	*	.	H	α-helix	trans	-62.4	-42	173.9	-175	177.1	-178.5	175.9	0	112.6	E251 M252 W253 Q258 W259	E251-K255 WeakPolarHBondContact O-CB 3.42Å; E251-K255 PolarHBondContact O-N 3.01Å; M252-K255 WeakPolarHBondContact O-CB 3.28Å; M252-K255 PolarHBondContact O-N 3.28Å; W253-K255 VanDerWaalsContact C-N 3.32Å; W253-K255 PolarHBondContact O-N 2.87Å; K255-Q258 PolarHBondContact O-N 3.05Å; K255-W259 WeakPolarHBondContact O-CB 3.42Å; K255-W259 PolarHBondContact O-N 3.31Å
256	Y	97.7	Very high	96	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-48.6	173.7	166.9	-138.3	0	0	0	111.5	Y224 V227 M228 L231 M252 W253 Q258 W259 E260 A280	Y224-Y256 HydrophobicContact CD2-CE2 4Å; Y224-Y256 HydrophobicContact CE2-CD2 4.25Å; Y224-Y256 AromaticContact CE2-CE2 3.41Å; Y224-Y256 HydrophobicContact CE2-CE2 3.41Å; Y224-Y256 VanDerWaalsContact CE2-CE2 3.41Å; Y224-Y256 AromaticContact CE2-CZ 3.6Å; Y224-Y256 WeakPolarHBondContact CE2-OH 3.48Å; Y224-Y256 PolarHBondContact OH-OH 2.77Å; V227-Y256 HydrophobicContact CG2-CD2 3.83Å; M228-Y256 HydrophobicContact SD-CD1 3.93Å; M228-Y256 HydrophobicContact SD-CD2 4.35Å; M228-Y256 HydrophobicContact SD-CE1 3.79Å; M228-Y256 HydrophobicContact SD-CE2 4.3Å; M228-Y256 HydrophobicContact SD-CG 4.23Å; L231-Y256 HydrophobicContact CD1-CD1 4.11Å; L231-Y256 HydrophobicContact CD1-CG 4.37Å; M252-Y256 PolarHBondContact O-N 3.15Å; W253-Y256 AromaticContact CE3-CD1 3.92Å; W253-Y256 HydrophobicContact CE3-CD1 3.92Å; W253-Y256 AromaticContact CZ3-CD1 3.82Å; W253-Y256 HydrophobicContact CZ3-CD1 3.82Å; W253-Y256 HydrophobicContact CZ3-CE1 4.1Å; W253-Y256 PolarHBondContact O-N 3.2Å; Y256-Q258 VanDerWaalsContact C-N 3.32Å; Y256-Q258 PolarHBondContact O-N 3.24Å; Y256-W259 AromaticContact CD2-CE3 3.92Å; Y256-W259 HydrophobicContact CD2-CE3 3.92Å; Y256-W259 HydrophobicContact CD2-CZ3 4.36Å; Y256-W259 AromaticContact CE2-CE3 3.98Å; Y256-W259 HydrophobicContact CE2-CE3 3.98Å; Y256-W259 HydrophobicContact CE2-CZ3 4.02Å; Y256-W259 PolarHBondContact O-N 3.21Å; Y256-E260 HydrophobicContact CE2-CB 4.36Å; Y256-E260 PolarHBondContact O-N 3.32Å; Y256-A280 HydrophobicContact CD1-CB 4.16Å; Y256-A280 HydrophobicContact CE1-CB 3.48Å; Y256-A280 VanDerWaalsContact CE1-CB 3.48Å; Y256-A280 HydrophobicContact CE2-CB 4.11Å; Y256-A280 VanDerWaalsContact CZ-CB 3.43Å
257	I	97.9	Very high	96.2	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.015	29%	0.289	C	S	.	.	H	α-helix	trans	-59.3	-42.8	178.1	-69.3	161.2	0	0	0	111.3	W253 K254 E260 K261 A280 Y281 C284	W253-I257 WeakPolarHBondContact O-CG1 3.26Å; W253-I257 PolarHBondContact O-N 3.42Å; K254-I257 PolarHBondContact O-N 3.45Å; I257-E260 PolarHBondContact O-N 3.2Å; I257-K261 HydrophobicContact CG2-CD 4.35Å; I257-K261 WeakPolarHBondContact O-CB 3.26Å; I257-K261 WeakPolarHBondContact O-CG 3.36Å; I257-K261 PolarHBondContact O-N 3.07Å; I257-A280 HydrophobicContact CG1-CB 4.11Å; I257-Y281 HydrophobicContact CD1-CD1 3.8Å; I257-Y281 HydrophobicContact CD1-CE1 3.79Å; I257-Y281 HydrophobicContact CG1-CD1 4.45Å; I257-Y281 HydrophobicContact CG1-CE1 4.48Å; I257-Y281 HydrophobicContact CG2-CD2 4.42Å; I257-Y281 HydrophobicContact CG2-CE1 3.91Å; I257-Y281 HydrophobicContact CG2-CE2 3.79Å; I257-Y281 VanDerWaalsContact CG2-CZ 3.48Å; I257-C284 HydrophobicContact CD1-CB 4.05Å
258	Q	97.5	Very high	96.2	Very high	127 Å²	127	64.9 Å²	64.9	59%	0.593	31%	0.306	S	S	*	.	H	α-helix	trans	-65.4	-39.5	176.3	-74	174.5	7.7	0	0	112.7	K254 K255 Y256 K261 S262	K254-Q258 WeakPolarHBondContact O-CB 3.38Å; K254-Q258 VanDerWaalsContact O-CG 3.26Å; K254-Q258 WeakPolarHBondContact O-CG 3.33Å; K254-Q258 PolarHBondContact O-N 3.4Å; K255-Q258 PolarHBondContact O-N 3.05Å; Y256-Q258 VanDerWaalsContact C-N 3.32Å; Y256-Q258 PolarHBondContact O-N 3.24Å; Q258-K261 PolarHBondContact O-N 3.31Å; Q258-S262 PolarHBondContact O-N 3.43Å
259	W	97.9	Very high	96.2	Very high	36 Å²	36	62.7 Å²	62.7	14%	0.136	30%	0.298	C	S	.	.	H	α-helix	trans	-61.9	-45.6	174.3	170.7	82	0	0	0	111.4	V220 E223 Y224 V227 K255 Y256 K261 S262 P264	V220-W259 HydrophobicContact CG1-CH2 3.91Å; V220-W259 HydrophobicContact CG1-CZ2 3.96Å; E223-W259 HydrophobicContact CB-CZ2 3.67Å; Y224-W259 HydrophobicContact CD2-CE3 4.5Å; Y224-W259 AromaticContact CD2-CH2 3.86Å; Y224-W259 HydrophobicContact CD2-CH2 3.86Å; Y224-W259 AromaticContact CD2-CZ3 3.56Å; Y224-W259 HydrophobicContact CD2-CZ3 3.56Å; Y224-W259 HydrophobicContact CE2-CZ3 4.28Å; Y224-W259 AromaticContact CG-CH2 3.91Å; Y224-W259 HydrophobicContact CG-CH2 3.91Å; Y224-W259 HydrophobicContact CG-CZ3 4.09Å; V227-W259 HydrophobicContact CG1-CB 4.23Å; V227-W259 HydrophobicContact CG1-CD2 4.24Å; V227-W259 HydrophobicContact CG1-CG 3.97Å; V227-W259 HydrophobicContact CG2-CD2 3.89Å; V227-W259 HydrophobicContact CG2-CE3 3.7Å; V227-W259 HydrophobicContact CG2-CG 4.41Å; V227-W259 HydrophobicContact CG2-CZ3 4.1Å; K255-W259 WeakPolarHBondContact O-CB 3.42Å; K255-W259 PolarHBondContact O-N 3.31Å; Y256-W259 AromaticContact CD2-CE3 3.92Å; Y256-W259 HydrophobicContact CD2-CE3 3.92Å; Y256-W259 HydrophobicContact CD2-CZ3 4.36Å; Y256-W259 AromaticContact CE2-CE3 3.98Å; Y256-W259 HydrophobicContact CE2-CE3 3.98Å; Y256-W259 HydrophobicContact CE2-CZ3 4.02Å; Y256-W259 PolarHBondContact O-N 3.21Å; W259-K261 VanDerWaalsContact C-N 3.32Å; W259-K261 PolarHBondContact O-N 2.99Å; W259-S262 WeakPolarHBondContact O-CB 3.45Å; W259-S262 PolarHBondContact O-N 2.78Å; W259-S262 PolarHBondContact O-OG 3.36Å; W259-P264 HydrophobicContact CD2-CG 3.71Å; W259-P264 HydrophobicContact CE3-CG 4.11Å; W259-P264 HydrophobicContact CG-CG 4.26Å; W259-P264 HydrophobicContact CH2-CB 4.19Å; W259-P264 HydrophobicContact CH2-CG 3.87Å; W259-P264 HydrophobicContact CZ2-CB 3.58Å; W259-P264 HydrophobicContact CZ2-CG 3.45Å; W259-P264 VanDerWaalsContact CZ2-CG 3.45Å; W259-P264 HydrophobicContact CZ3-CG 4.19Å; W259-P264 WeakPolarHBondContact O-CD 3.38Å; W259-P264 VanDerWaalsContact O-CG 3.27Å; W259-P264 WeakPolarHBondContact O-CG 3.39Å
260	E	97.6	Very high	96.2	Very high	6 Å²	6	61.9 Å²	61.9	3%	0.028	29%	0.294	C	S	.	.	H	α-helix	trans	-64.6	-37.6	176.5	-160.4	73.9	-113.3	0	0	111.1	Y256 I257 S262 N263 R276 V277 A280	Y256-E260 HydrophobicContact CE2-CB 4.36Å; Y256-E260 PolarHBondContact O-N 3.32Å; I257-E260 PolarHBondContact O-N 3.2Å; E260-S262 VanDerWaalsContact C-N 3.27Å; E260-S262 PolarHBondContact O-N 3.31Å; E260-N263 PolarHBondContact O-N 3.21Å; E260-R276 VanDerWaalsContact CD-NH2 3.32Å; E260-R276 HydrophobicContact CG-CB 3.93Å; E260-R276 IonicContact OE1-CZ 3.3Å; E260-R276 VanDerWaalsContact OE1-CZ 3.29Å; E260-R276 IonicContact OE1-NE 3.07Å; E260-R276 PolarHBondContact OE1-NE 3.38Å; E260-R276 IonicContact OE1-NH2 2.75Å; E260-R276 PolarHBondContact OE1-NH2 3.18Å; E260-R276 IonicContact OE2-CZ 3.24Å; E260-R276 IonicContact OE2-NE 3.44Å; E260-R276 IonicContact OE2-NH2 2.78Å; E260-R276 PolarHBondContact OE2-NH2 2.88Å; E260-V277 HydrophobicContact CB-CG2 4.09Å; E260-V277 HydrophobicContact CG-CG2 3.9Å; E260-A280 HydrophobicContact CB-CB 4.45Å
261	K	97.3	Very high	96.2	Very high	73 Å²	73	61.7 Å²	61.7	32%	0.317	29%	0.293	S	S	.	.	H	α-helix	trans	-63.1	-27	172.1	-76.3	-179.4	-177.5	-175.3	0	113.6	I257 Q258 W259 N263 V277 Y281 Y301	I257-K261 HydrophobicContact CG2-CD 4.35Å; I257-K261 WeakPolarHBondContact O-CB 3.26Å; I257-K261 WeakPolarHBondContact O-CG 3.36Å; I257-K261 PolarHBondContact O-N 3.07Å; Q258-K261 PolarHBondContact O-N 3.31Å; W259-K261 VanDerWaalsContact C-N 3.32Å; W259-K261 PolarHBondContact O-N 2.99Å; K261-N263 PolarHBondContact O-N 2.94Å; K261-V277 HydrophobicContact CB-CG2 4.37Å; K261-V277 HydrophobicContact CD-CG1 4.38Å; K261-V277 HydrophobicContact CG-CB 4.41Å; K261-V277 HydrophobicContact CG-CG1 3.63Å; K261-V277 HydrophobicContact CG-CG2 3.8Å; K261-Y281 WeakPolarHBondContact CE-OH 3.47Å; K261-Y281 PolarHBondContact NZ-OH 2.57Å; K261-Y301 HydrophobicContact CD-CD2 4.13Å; K261-Y301 HydrophobicContact CD-CE2 4.2Å; K261-Y301 HydrophobicContact CG-CD2 4.35Å; K261-Y301 HydrophobicContact CG-CE2 3.96Å
262	S	97.7	Very high	96.1	Very high	81 Å²	81	57.9 Å²	57.9	57%	0.566	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	2.7	176	76.3	0	0	0	0	114.5	Q258 W259 E260	Q258-S262 PolarHBondContact O-N 3.43Å; W259-S262 WeakPolarHBondContact O-CB 3.45Å; W259-S262 PolarHBondContact O-N 2.78Å; W259-S262 PolarHBondContact O-OG 3.36Å; E260-S262 VanDerWaalsContact C-N 3.27Å; E260-S262 PolarHBondContact O-N 3.31Å
263	N	97	Very high	96.1	Very high	37 Å²	37	56.5 Å²	56.5	20%	0.198	27%	0.27	C	S	.	.			trans	54.5	67.1	-179.8	-175.7	12.2	0	0	0	113.3	E260 K261 L265 R266 T267 I273	E260-N263 PolarHBondContact O-N 3.21Å; K261-N263 PolarHBondContact O-N 2.94Å; N263-L265 PolarHBondContact O-N 3.04Å; N263-R266 PolarHBondContact O-N 2.83Å; N263-R266 PolarHBondContact OD1-N 3.34Å; N263-R266 VanDerWaalsContact OD1-N 3.09Å; N263-T267 PolarHBondContact ND2-N 3.42Å; N263-T267 PolarHBondContact ND2-O 3.18Å; N263-T267 PolarHBondContact OD1-N 2.86Å; N263-I273 HydrophobicContact CB-CD1 4.24Å; N263-I273 HydrophobicContact CB-CG1 4.48Å; N263-I273 WeakPolarHBondContact ND2-CD1 3.39Å
264	P	96.4	Very high	96.1	Very high	9 Å²	9	56.4 Å²	56.4	6%	0.058	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-31.3	-177.6	-24.2	35.5	0	0	0	113.6	R219 V220 W259 R266	R219-P264 PolarHBondContact NH2-O 3.46Å; V220-P264 HydrophobicContact CG1-CB 3.81Å; V220-P264 HydrophobicContact CG2-CB 4Å; V220-P264 WeakPolarHBondContact CG2-O 3.4Å; W259-P264 HydrophobicContact CD2-CG 3.71Å; W259-P264 HydrophobicContact CE3-CG 4.11Å; W259-P264 HydrophobicContact CG-CG 4.26Å; W259-P264 HydrophobicContact CH2-CB 4.19Å; W259-P264 HydrophobicContact CH2-CG 3.87Å; W259-P264 HydrophobicContact CZ2-CB 3.58Å; W259-P264 HydrophobicContact CZ2-CG 3.45Å; W259-P264 VanDerWaalsContact CZ2-CG 3.45Å; W259-P264 HydrophobicContact CZ3-CG 4.19Å; W259-P264 WeakPolarHBondContact O-CD 3.38Å; W259-P264 VanDerWaalsContact O-CG 3.27Å; W259-P264 WeakPolarHBondContact O-CG 3.39Å; P264-R266 VanDerWaalsContact C-N 3.26Å; P264-R266 PolarHBondContact O-N 3.19Å
265	L	94.6	Very high	96.1	Very high	19 Å²	19	58.7 Å²	58.7	10%	0.099	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-16.4	176.2	-74.7	169.7	0	0	0	113.4	P180 N216 V220 N263 T267	P180-L265 HydrophobicContact CG-CD1 4.49Å; P180-L265 HydrophobicContact CG-CD2 3.93Å; P180-L265 HydrophobicContact CG-CG 4.47Å; N216-L265 PolarHBondContact ND2-O 3.3Å; V220-L265 HydrophobicContact CB-CD2 4.12Å; V220-L265 HydrophobicContact CG1-CD2 4.25Å; V220-L265 HydrophobicContact CG1-CG 4.28Å; V220-L265 HydrophobicContact CG2-CD2 3.95Å; V220-L265 HydrophobicContact CG2-CG 4.32Å; N263-L265 PolarHBondContact O-N 3.04Å; L265-T267 PolarHBondContact O-N 3.48Å
266	R	95.4	Very high	96.1	Very high	197 Å²	197	52.7 Å²	52.7	74%	0.743	25%	0.253	S	S	*	.			trans	53.2	40.7	-177.1	-53.4	-179.8	-174.2	178.7	-0.1	112.6	N263 P264	N263-R266 PolarHBondContact O-N 2.83Å; N263-R266 PolarHBondContact OD1-N 3.34Å; N263-R266 VanDerWaalsContact OD1-N 3.09Å; P264-R266 VanDerWaalsContact C-N 3.26Å; P264-R266 PolarHBondContact O-N 3.19Å
267	T	93.9	Very high	96.1	Very high	42 Å²	42	52.7 Å²	52.7	26%	0.258	25%	0.253	S	S	.	.			trans	-87.3	152.4	175.5	-173.5	0	0	0	0	111	N263 L265 D269 L272 I273	N263-T267 PolarHBondContact ND2-N 3.42Å; N263-T267 PolarHBondContact ND2-O 3.18Å; N263-T267 PolarHBondContact OD1-N 2.86Å; L265-T267 PolarHBondContact O-N 3.48Å; T267-D269 PolarHBondContact OG1-N 2.99Å; T267-L272 HydrophobicContact CG2-CD2 4.28Å; T267-I273 HydrophobicContact CG2-CD1 4.18Å; T267-I273 HydrophobicContact CG2-CG1 3.66Å
268	E	92.6	Very high	96	Very high	179 Å²	179	53.5 Å²	53.5	84%	0.836	26%	0.257	S	S	*	.	S	Bend	trans	-88.6	-13.3	171.4	-62.9	-177.7	175.8	0	0	112.5	Q270	E268-Q270 PolarHBondContact O-N 2.82Å
269	D	94	Very high	96	Very high	68 Å²	68	48.1 Å²	48.1	36%	0.364	23%	0.232	S	C	.	.			trans	-70.2	94.8	177.9	178.4	5.2	0	0	0	111.2	T267 T271 L272 I273	T267-D269 PolarHBondContact OG1-N 2.99Å; D269-T271 PolarHBondContact O-N 3.31Å; D269-T271 WeakPolarHBondContact OD1-CA 3.39Å; D269-T271 VanDerWaalsContact OD1-CB 3.31Å; D269-T271 WeakPolarHBondContact OD1-CB 3.44Å; D269-T271 PolarHBondContact OD1-N 3.25Å; D269-T271 PolarHBondContact OD1-OG1 3.04Å; D269-T271 PolarHBondContact OD2-OG1 3.41Å; D269-L272 HydrophobicContact CB-CB 4.11Å; D269-L272 PolarHBondContact O-N 3.19Å; D269-L272 PolarHBondContact OD1-N 2.98Å; D269-L272 VanDerWaalsContact OD2-CB 3.29Å; D269-L272 WeakPolarHBondContact OD2-CB 3.37Å; D269-I273 WeakPolarHBondContact O-CG1 3.48Å; D269-I273 PolarHBondContact O-N 2.99Å; D269-I273 VanDerWaalsContact O-N 3.1Å
270	Q	94.2	Very high	96	Very high	26 Å²	26	46.4 Å²	46.4	12%	0.121	23%	0.225	C	C	.	.	H	α-helix	trans	-57.2	-30.9	175	-175.6	62.9	40.3	0	0	112.5	E268 I273 T274 L308 L309	E268-Q270 PolarHBondContact O-N 2.82Å; Q270-I273 PolarHBondContact O-N 3.33Å; Q270-T274 PolarHBondContact NE2-OG1 2.92Å; Q270-T274 VanDerWaalsContact NE2-OG1 3.1Å; Q270-T274 VanDerWaalsContact O-CB 3.27Å; Q270-T274 WeakPolarHBondContact O-CB 3.37Å; Q270-T274 PolarHBondContact O-N 2.88Å; Q270-T274 PolarHBondContact O-OG1 3.33Å; Q270-L308 HydrophobicContact CB-CD2 4.37Å; Q270-L308 HydrophobicContact CG-CD2 3.82Å; Q270-L309 HydrophobicContact CB-CD2 3.86Å; Q270-L309 HydrophobicContact CG-CD2 4.02Å; Q270-L309 HydrophobicContact CG-CG 4.12Å
271	T	95.5	Very high	96	Very high	19 Å²	19	46.1 Å²	46.1	12%	0.117	22%	0.224	C	C	.	.	H	α-helix	trans	-69.4	-38.3	-179.7	80.6	0	0	0	0	111	D269 K275 L309 N317	D269-T271 PolarHBondContact O-N 3.31Å; D269-T271 WeakPolarHBondContact OD1-CA 3.39Å; D269-T271 VanDerWaalsContact OD1-CB 3.31Å; D269-T271 WeakPolarHBondContact OD1-CB 3.44Å; D269-T271 PolarHBondContact OD1-N 3.25Å; D269-T271 PolarHBondContact OD1-OG1 3.04Å; D269-T271 PolarHBondContact OD2-OG1 3.41Å; T271-K275 WeakPolarHBondContact O-CB 3.27Å; T271-K275 WeakPolarHBondContact O-CD 3.36Å; T271-K275 WeakPolarHBondContact O-CG 3.2Å; T271-K275 PolarHBondContact O-N 3.33Å; T271-L309 HydrophobicContact CG2-CD1 4.38Å; T271-L309 HydrophobicContact CG2-CD2 4.26Å; T271-N317 HydrophobicContact CG2-CB 4.12Å
272	L	94.3	Very high	95.9	Very high	60 Å²	60	43.8 Å²	43.8	31%	0.314	21%	0.214	S	C	.	.	H	α-helix	trans	-68.3	-45.3	174.1	179.5	58.8	0	0	0	111.8	T267 D269 T274 K275 R276	T267-L272 HydrophobicContact CG2-CD2 4.28Å; D269-L272 HydrophobicContact CB-CB 4.11Å; D269-L272 PolarHBondContact O-N 3.19Å; D269-L272 PolarHBondContact OD1-N 2.98Å; D269-L272 VanDerWaalsContact OD2-CB 3.29Å; D269-L272 WeakPolarHBondContact OD2-CB 3.37Å; L272-T274 VanDerWaalsContact C-N 3.33Å; L272-T274 PolarHBondContact O-N 2.84Å; L272-K275 PolarHBondContact O-N 2.96Å; L272-R276 HydrophobicContact CD1-CG 4.24Å; L272-R276 WeakPolarHBondContact O-CG 3.49Å; L272-R276 PolarHBondContact O-N 3.36Å
273	I	96.3	Very high	95.9	Very high	18 Å²	18	40.3 Å²	40.3	9%	0.092	19%	0.189	C	C	.	.	H	α-helix	trans	-57.1	-50.6	175	-58.1	166.7	0	0	0	109.6	N263 T267 D269 Q270 K275 R276 V277	N263-I273 HydrophobicContact CB-CD1 4.24Å; N263-I273 HydrophobicContact CB-CG1 4.48Å; N263-I273 WeakPolarHBondContact ND2-CD1 3.39Å; T267-I273 HydrophobicContact CG2-CD1 4.18Å; T267-I273 HydrophobicContact CG2-CG1 3.66Å; D269-I273 WeakPolarHBondContact O-CG1 3.48Å; D269-I273 PolarHBondContact O-N 2.99Å; D269-I273 VanDerWaalsContact O-N 3.1Å; Q270-I273 PolarHBondContact O-N 3.33Å; I273-K275 PolarHBondContact O-N 3Å; I273-R276 PolarHBondContact O-N 3.27Å; I273-V277 HydrophobicContact CG2-CG2 4.36Å; I273-V277 WeakPolarHBondContact O-CG2 3.49Å; I273-V277 PolarHBondContact O-N 2.99Å
274	T	97.1	Very high	95.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.6	-44.5	-177.4	-50.7	0	0	0	0	111.2	Q270 L272 R276 V277 M278 Y301 L302 S305 F321	Q270-T274 PolarHBondContact NE2-OG1 2.92Å; Q270-T274 VanDerWaalsContact NE2-OG1 3.1Å; Q270-T274 VanDerWaalsContact O-CB 3.27Å; Q270-T274 WeakPolarHBondContact O-CB 3.37Å; Q270-T274 PolarHBondContact O-N 2.88Å; Q270-T274 PolarHBondContact O-OG1 3.33Å; L272-T274 VanDerWaalsContact C-N 3.33Å; L272-T274 PolarHBondContact O-N 2.84Å; T274-R276 VanDerWaalsContact C-N 3.34Å; T274-R276 PolarHBondContact O-N 2.98Å; T274-V277 PolarHBondContact O-N 3.45Å; T274-M278 HydrophobicContact CG2-CG 4.35Å; T274-M278 WeakPolarHBondContact O-CB 3.12Å; T274-M278 VanDerWaalsContact O-CG 3.29Å; T274-M278 WeakPolarHBondContact O-CG 3.44Å; T274-M278 PolarHBondContact O-N 2.73Å; T274-Y301 HydrophobicContact CG2-CE1 4.05Å; T274-L302 HydrophobicContact CG2-CD2 3.95Å; T274-S305 WeakPolarHBondContact OG1-CB 3.15Å; T274-S305 PolarHBondContact OG1-OG 3.47Å; T274-F321 HydrophobicContact CG2-CD1 4.41Å; T274-F321 HydrophobicContact CG2-CD2 3.89Å; T274-F321 HydrophobicContact CG2-CE1 4.16Å; T274-F321 HydrophobicContact CG2-CE2 3.61Å; T274-F321 HydrophobicContact CG2-CG 4.3Å; T274-F321 HydrophobicContact CG2-CZ 3.76Å
275	K	95.8	Very high	95.8	Very high	98 Å²	98	38.5 Å²	38.5	43%	0.426	18%	0.179	S	C	.	.	H	α-helix	trans	-60.8	-39.4	176.3	-77.3	169	-177.8	169.2	0	112.8	M136 T271 L272 I273 F279	M136-K275 HydrophobicContact CE-CB 4.33Å; T271-K275 WeakPolarHBondContact O-CB 3.27Å; T271-K275 WeakPolarHBondContact O-CD 3.36Å; T271-K275 WeakPolarHBondContact O-CG 3.2Å; T271-K275 PolarHBondContact O-N 3.33Å; L272-K275 PolarHBondContact O-N 2.96Å; I273-K275 PolarHBondContact O-N 3Å; K275-F279 WeakPolarHBondContact O-CB 3.17Å; K275-F279 PolarHBondContact O-N 3.17Å
276	R	96.6	Very high	95.9	Very high	9 Å²	9	38.2 Å²	38.2	3%	0.034	18%	0.177	C	C	.	.	H	α-helix	trans	-70.9	-44.1	178.1	-71.2	-173.9	60.5	73.6	17.7	112.5	M136 E260 L272 I273 T274 M278 F279 A280	M136-R276 HydrophobicContact SD-CG 3.98Å; E260-R276 VanDerWaalsContact CD-NH2 3.32Å; E260-R276 HydrophobicContact CG-CB 3.93Å; E260-R276 IonicContact OE1-CZ 3.3Å; E260-R276 VanDerWaalsContact OE1-CZ 3.29Å; E260-R276 IonicContact OE1-NE 3.07Å; E260-R276 PolarHBondContact OE1-NE 3.38Å; E260-R276 IonicContact OE1-NH2 2.75Å; E260-R276 PolarHBondContact OE1-NH2 3.18Å; E260-R276 IonicContact OE2-CZ 3.24Å; E260-R276 IonicContact OE2-NE 3.44Å; E260-R276 IonicContact OE2-NH2 2.78Å; E260-R276 PolarHBondContact OE2-NH2 2.88Å; L272-R276 HydrophobicContact CD1-CG 4.24Å; L272-R276 WeakPolarHBondContact O-CG 3.49Å; L272-R276 PolarHBondContact O-N 3.36Å; I273-R276 PolarHBondContact O-N 3.27Å; T274-R276 VanDerWaalsContact C-N 3.34Å; T274-R276 PolarHBondContact O-N 2.98Å; R276-M278 VanDerWaalsContact C-N 3.33Å; R276-M278 PolarHBondContact O-N 2.95Å; R276-F279 WeakPolarHBondContact O-CB 3.39Å; R276-F279 PolarHBondContact O-N 3.44Å; R276-A280 PolarHBondContact O-N 2.93Å
277	V	98	Very high	95.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.9	-40.1	174.8	174	0	0	0	0	111.2	E260 K261 I273 T274 F279 A280 Y281 Y301	E260-V277 HydrophobicContact CB-CG2 4.09Å; E260-V277 HydrophobicContact CG-CG2 3.9Å; K261-V277 HydrophobicContact CB-CG2 4.37Å; K261-V277 HydrophobicContact CD-CG1 4.38Å; K261-V277 HydrophobicContact CG-CB 4.41Å; K261-V277 HydrophobicContact CG-CG1 3.63Å; K261-V277 HydrophobicContact CG-CG2 3.8Å; I273-V277 HydrophobicContact CG2-CG2 4.36Å; I273-V277 WeakPolarHBondContact O-CG2 3.49Å; I273-V277 PolarHBondContact O-N 2.99Å; T274-V277 PolarHBondContact O-N 3.45Å; V277-F279 VanDerWaalsContact C-N 3.35Å; V277-A280 WeakPolarHBondContact O-CB 3.48Å; V277-A280 PolarHBondContact O-N 2.88Å; V277-Y281 HydrophobicContact CG1-CD2 3.92Å; V277-Y281 HydrophobicContact CG1-CE2 3.76Å; V277-Y281 WeakPolarHBondContact O-CD2 3.35Å; V277-Y281 PolarHBondContact O-N 2.84Å; V277-Y301 HydrophobicContact CB-CD1 4.17Å; V277-Y301 HydrophobicContact CB-CE1 3.48Å; V277-Y301 VanDerWaalsContact CB-CE1 3.48Å; V277-Y301 HydrophobicContact CG1-CD1 3.55Å; V277-Y301 HydrophobicContact CG1-CD2 4.49Å; V277-Y301 HydrophobicContact CG1-CE1 3.33Å; V277-Y301 HydrophobicContact CG1-CE2 4.3Å; V277-Y301 HydrophobicContact CG1-CG 4.14Å; V277-Y301 HydrophobicContact CG2-CE1 4.1Å
278	M	97.4	Very high	95.9	Very high	20 Å²	20	27.9 Å²	27.9	10%	0.099	14%	0.135	C	C	.	.	H	α-helix	trans	-65.5	-37.7	173.3	-73.2	-51.5	-55.6	0	0	112.3	T274 R276 A280 Y281 E282 A298 Y301 L302 I328	T274-M278 HydrophobicContact CG2-CG 4.35Å; T274-M278 WeakPolarHBondContact O-CB 3.12Å; T274-M278 VanDerWaalsContact O-CG 3.29Å; T274-M278 WeakPolarHBondContact O-CG 3.44Å; T274-M278 PolarHBondContact O-N 2.73Å; R276-M278 VanDerWaalsContact C-N 3.33Å; R276-M278 PolarHBondContact O-N 2.95Å; M278-A280 VanDerWaalsContact C-N 3.29Å; M278-A280 PolarHBondContact O-N 2.79Å; M278-Y281 PolarHBondContact O-N 3.22Å; M278-Y281 HydrophobicContact SD-CD2 4.07Å; M278-E282 WeakPolarHBondContact O-CG 3.41Å; M278-E282 PolarHBondContact O-N 2.96Å; M278-A298 HydrophobicContact CE-CB 4.3Å; M278-Y301 HydrophobicContact SD-CD1 4.41Å; M278-L302 HydrophobicContact CE-CD1 3.75Å; M278-L302 HydrophobicContact CE-CG 4.15Å; M278-L302 HydrophobicContact CG-CD2 3.75Å; M278-L302 HydrophobicContact CG-CG 4.09Å; M278-L302 HydrophobicContact SD-CD1 3.88Å; M278-L302 HydrophobicContact SD-CD2 3.95Å; M278-L302 HydrophobicContact SD-CG 3.56Å; M278-L302 VanDerWaalsContact SD-CG 3.56Å; M278-I328 HydrophobicContact CE-CD1 3.78Å; M278-I328 HydrophobicContact CE-CG1 4.08Å
279	F	96.8	Very high	96	Very high	13 Å²	13	19.3 Å²	19.3	6%	0.057	10%	0.096	C	C	.	.	H	α-helix	trans	-59.6	-40.4	171.2	-175.7	-95.3	0	0	0	111.9	L97 I134 M136 E137 K275 R276 V277 E282 Q283	L97-F279 HydrophobicContact CD1-CD2 4.35Å; L97-F279 HydrophobicContact CD1-CE2 4.33Å; I134-F279 HydrophobicContact CD1-CE2 4Å; I134-F279 HydrophobicContact CD1-CZ 3.98Å; M136-F279 HydrophobicContact CB-CD1 4.16Å; M136-F279 HydrophobicContact CB-CD2 4.44Å; M136-F279 HydrophobicContact CB-CE1 4.38Å; M136-F279 HydrophobicContact CB-CG 4.21Å; M136-F279 HydrophobicContact SD-CB 4.46Å; E137-F279 HydrophobicContact CB-CE1 4.2Å; E137-F279 HydrophobicContact CB-CZ 3.7Å; E137-F279 HydrophobicContact CG-CE1 4.49Å; E137-F279 HydrophobicContact CG-CZ 4.06Å; K275-F279 WeakPolarHBondContact O-CB 3.17Å; K275-F279 PolarHBondContact O-N 3.17Å; R276-F279 WeakPolarHBondContact O-CB 3.39Å; R276-F279 PolarHBondContact O-N 3.44Å; V277-F279 VanDerWaalsContact C-N 3.35Å; F279-E282 PolarHBondContact O-N 2.65Å; F279-Q283 HydrophobicContact CD1-CG 4.15Å; F279-Q283 HydrophobicContact CE1-CG 3.63Å; F279-Q283 HydrophobicContact CZ-CG 3.81Å; F279-Q283 VanDerWaalsContact CZ-NE2 3.32Å; F279-Q283 WeakPolarHBondContact O-CG 3.47Å; F279-Q283 PolarHBondContact O-N 2.95Å
280	A	97.4	Very high	96.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.3	-43.3	173.4	0	0	0	0	0	112.5	Y256 I257 E260 R276 V277 M278 Q283 C284	Y256-A280 HydrophobicContact CD1-CB 4.16Å; Y256-A280 HydrophobicContact CE1-CB 3.48Å; Y256-A280 VanDerWaalsContact CE1-CB 3.48Å; Y256-A280 HydrophobicContact CE2-CB 4.11Å; Y256-A280 VanDerWaalsContact CZ-CB 3.43Å; I257-A280 HydrophobicContact CG1-CB 4.11Å; E260-A280 HydrophobicContact CB-CB 4.45Å; R276-A280 PolarHBondContact O-N 2.93Å; V277-A280 WeakPolarHBondContact O-CB 3.48Å; V277-A280 PolarHBondContact O-N 2.88Å; M278-A280 VanDerWaalsContact C-N 3.29Å; M278-A280 PolarHBondContact O-N 2.79Å; A280-Q283 PolarHBondContact O-N 3.29Å; A280-C284 WeakPolarHBondContact O-CB 3.35Å; A280-C284 PolarHBondContact O-N 2.68Å
281	Y	97.8	Very high	96.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.2	-45.2	172.7	-82.4	-64.8	0	0	0	112.5	I257 K261 V277 M278 Q283 C284 L285 I294 E297 A298 Y301	I257-Y281 HydrophobicContact CD1-CD1 3.8Å; I257-Y281 HydrophobicContact CD1-CE1 3.79Å; I257-Y281 HydrophobicContact CG1-CD1 4.45Å; I257-Y281 HydrophobicContact CG1-CE1 4.48Å; I257-Y281 HydrophobicContact CG2-CD2 4.42Å; I257-Y281 HydrophobicContact CG2-CE1 3.91Å; I257-Y281 HydrophobicContact CG2-CE2 3.79Å; I257-Y281 VanDerWaalsContact CG2-CZ 3.48Å; K261-Y281 WeakPolarHBondContact CE-OH 3.47Å; K261-Y281 PolarHBondContact NZ-OH 2.57Å; V277-Y281 HydrophobicContact CG1-CD2 3.92Å; V277-Y281 HydrophobicContact CG1-CE2 3.76Å; V277-Y281 WeakPolarHBondContact O-CD2 3.35Å; V277-Y281 PolarHBondContact O-N 2.84Å; M278-Y281 PolarHBondContact O-N 3.22Å; M278-Y281 HydrophobicContact SD-CD2 4.07Å; Y281-Q283 PolarHBondContact O-N 3.13Å; Y281-C284 WeakPolarHBondContact O-CB 3.47Å; Y281-C284 PolarHBondContact O-N 3.46Å; Y281-L285 WeakPolarHBondContact O-CB 3.32Å; Y281-L285 VanDerWaalsContact O-CG 3.26Å; Y281-L285 WeakPolarHBondContact O-CG 3.39Å; Y281-L285 PolarHBondContact O-N 3.48Å; Y281-I294 HydrophobicContact CD1-CG2 4.04Å; Y281-I294 HydrophobicContact CE1-CG2 4.35Å; Y281-E297 HydrophobicContact CE1-CB 4.01Å; Y281-E297 WeakPolarHBondContact OH-CB 3.46Å; Y281-E297 PolarHBondContact OH-OE2 3.17Å; Y281-A298 HydrophobicContact CD1-CB 3.63Å; Y281-A298 HydrophobicContact CD2-CB 3.93Å; Y281-A298 HydrophobicContact CE1-CB 4.02Å; Y281-A298 HydrophobicContact CE2-CB 4.3Å; Y281-A298 HydrophobicContact CG-CB 3.59Å; Y281-Y301 HydrophobicContact CE2-CG 4.47Å
282	E	96.1	Very high	96.2	Very high	24 Å²	24	16.7 Å²	16.7	11%	0.112	8%	0.082	C	C	.	.	H	α-helix	trans	-58.9	-44.1	177.2	-70.8	-65	161.9	0	0	111.9	L97 M278 F279 L285 L286 R331	L97-E282 HydrophobicContact CD1-CB 3.91Å; L97-E282 HydrophobicContact CD1-CG 4.07Å; M278-E282 WeakPolarHBondContact O-CG 3.41Å; M278-E282 PolarHBondContact O-N 2.96Å; F279-E282 PolarHBondContact O-N 2.65Å; E282-L285 PolarHBondContact O-N 3.45Å; E282-L286 WeakPolarHBondContact O-CG 3.32Å; E282-L286 PolarHBondContact O-N 3.07Å; E282-R331 VanDerWaalsContact CD-NH2 3.32Å; E282-R331 IonicContact OE1-CZ 2.7Å; E282-R331 IonicContact OE1-NH1 2.73Å; E282-R331 PolarHBondContact OE1-NH1 3.43Å; E282-R331 IonicContact OE1-NH2 2.71Å; E282-R331 PolarHBondContact OE1-NH2 3.03Å; E282-R331 VanDerWaalsContact OE1-NH2 3.12Å; E282-R331 IonicContact OE2-CZ 3.92Å; E282-R331 IonicContact OE2-NH1 3.44Å; E282-R331 IonicContact OE2-NH2 3.12Å; E282-R331 PolarHBondContact OE2-NH2 3.01Å
283	Q	95.8	Very high	96.2	Very high	9 Å²	9	16.5 Å²	16.5	4%	0.042	8%	0.081	C	C	.	.	H	α-helix	trans	-61.8	-45.1	174.9	-67.3	-55.1	-65.2	0	0	111.8	L97 W253 F279 A280 Y281 L285 L286	L97-Q283 PolarHBondContact O-NE2 3.12Å; W253-Q283 HydrophobicContact CH2-CB 3.88Å; W253-Q283 HydrophobicContact CZ3-CB 3.83Å; F279-Q283 HydrophobicContact CD1-CG 4.15Å; F279-Q283 HydrophobicContact CE1-CG 3.63Å; F279-Q283 HydrophobicContact CZ-CG 3.81Å; F279-Q283 VanDerWaalsContact CZ-NE2 3.32Å; F279-Q283 WeakPolarHBondContact O-CG 3.47Å; F279-Q283 PolarHBondContact O-N 2.95Å; A280-Q283 PolarHBondContact O-N 3.29Å; Y281-Q283 PolarHBondContact O-N 3.13Å; Q283-L285 PolarHBondContact O-N 2.81Å; Q283-L286 WeakPolarHBondContact O-CB 3.41Å; Q283-L286 PolarHBondContact O-N 2.71Å
284	C	96.6	Very high	96.3	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.007	8%	0.078	C	C	.	.	H	α-helix	trans	-61	-44.7	178.7	-173.6	0	0	0	0	111.8	W253 I257 A280 Y281 L286 V287 L288 I294	W253-C284 HydrophobicContact CD2-CB 4.03Å; W253-C284 HydrophobicContact CE3-CB 3.58Å; W253-C284 HydrophobicContact CZ3-CB 4.02Å; I257-C284 HydrophobicContact CD1-CB 4.05Å; A280-C284 WeakPolarHBondContact O-CB 3.35Å; A280-C284 PolarHBondContact O-N 2.68Å; Y281-C284 WeakPolarHBondContact O-CB 3.47Å; Y281-C284 PolarHBondContact O-N 3.46Å; C284-L286 PolarHBondContact O-N 3.35Å; C284-V287 PolarHBondContact O-N 2.69Å; C284-L288 PolarHBondContact O-N 3.19Å; C284-I294 HydrophobicContact CB-CG2 4.49Å
285	L	96.4	Very high	96.3	Very high	7 Å²	7	16.1 Å²	16.1	4%	0.037	8%	0.079	C	C	.	.	H	α-helix	trans	-66.5	-14.2	179	-70.4	175.3	0	0	0	113.9	Y281 E282 Q283 V287 G289 I294 W295	Y281-L285 WeakPolarHBondContact O-CB 3.32Å; Y281-L285 VanDerWaalsContact O-CG 3.26Å; Y281-L285 WeakPolarHBondContact O-CG 3.39Å; Y281-L285 PolarHBondContact O-N 3.48Å; E282-L285 PolarHBondContact O-N 3.45Å; Q283-L285 PolarHBondContact O-N 2.81Å; L285-V287 VanDerWaalsContact C-N 3.32Å; L285-G289 VanDerWaalsContact O-CA 3.26Å; L285-G289 WeakPolarHBondContact O-CA 3.47Å; L285-G289 PolarHBondContact O-N 3.44Å; L285-I294 HydrophobicContact CD2-CB 4.07Å; L285-I294 HydrophobicContact CD2-CG2 3.66Å; L285-I294 HydrophobicContact CG-CG2 4.16Å; L285-W295 HydrophobicContact CD1-CD2 3.96Å; L285-W295 HydrophobicContact CD1-CE3 3.76Å; L285-W295 HydrophobicContact CD1-CH2 4.05Å; L285-W295 HydrophobicContact CD1-CZ2 4.24Å; L285-W295 HydrophobicContact CD1-CZ3 3.81Å; L285-W295 HydrophobicContact CD2-CD2 3.74Å; L285-W295 HydrophobicContact CD2-CE3 4.4Å; L285-W295 HydrophobicContact CD2-CG 3.88Å; L285-W295 HydrophobicContact CD2-CZ2 4.13Å; L285-W295 HydrophobicContact CG-CD2 4.49Å
286	L	95.3	Very high	96.4	Very high	13 Å²	13	15.6 Å²	15.6	7%	0.068	8%	0.075	C	C	.	.	H	α-helix	trans	-67.6	-35.7	169.8	-58.7	-172.7	0	0	0	112	S64 V96 H98 E282 Q283 C284	S64-L286 WeakPolarHBondContact CB-O 3.36Å; S64-L286 PolarHBondContact OG-O 2.96Å; V96-L286 HydrophobicContact CG1-CD2 4.27Å; H98-L286 HydrophobicContact CB-CD1 4.23Å; E282-L286 WeakPolarHBondContact O-CG 3.32Å; E282-L286 PolarHBondContact O-N 3.07Å; Q283-L286 WeakPolarHBondContact O-CB 3.41Å; Q283-L286 PolarHBondContact O-N 2.71Å; C284-L286 PolarHBondContact O-N 3.35Å
287	V	95	Very high	96.5	Very high	11 Å²	11	17.8 Å²	17.8	7%	0.067	9%	0.086	C	C	.	.	H	α-helix	trans	-103.6	-39.5	-171.7	-179.9	0	0	0	0	112.1	A235 S237 W253 C284 L285	A235-V287 HydrophobicContact CB-CG1 3.7Å; S237-V287 VanDerWaalsContact CA-O 3.24Å; S237-V287 WeakPolarHBondContact CA-O 3.46Å; W253-V287 HydrophobicContact CZ2-CG2 4.26Å; C284-V287 PolarHBondContact O-N 2.69Å; L285-V287 VanDerWaalsContact C-N 3.32Å
288	L	95.1	Very high	96.5	Very high	10 Å²	10	17.8 Å²	17.8	5%	0.052	9%	0.086	C	C	.	.	S	Bend	trans	-112.1	28.2	-177.2	-61.4	174.5	0	0	0	111.8	V250 W253 C284 H290 H291 I294	V250-L288 HydrophobicContact CB-CD1 4.36Å; V250-L288 HydrophobicContact CG2-CD1 3.78Å; V250-L288 HydrophobicContact CG2-CD2 4.05Å; W253-L288 HydrophobicContact CB-CD1 4.1Å; W253-L288 HydrophobicContact CG-CD1 3.96Å; C284-L288 PolarHBondContact O-N 3.19Å; L288-H290 PolarHBondContact O-N 2.85Å; L288-H291 WeakPolarHBondContact O-CB 3.29Å; L288-H291 PolarHBondContact O-N 2.99Å; L288-I294 HydrophobicContact CB-CD1 3.45Å; L288-I294 VanDerWaalsContact CB-CD1 3.45Å; L288-I294 HydrophobicContact CD1-CD1 3.86Å; L288-I294 HydrophobicContact CG-CD1 4.31Å
289	G	95.2	Very high	96.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-11.4	-174.5	0	0	0	0	0	116	S237 L285 W295 L336	S237-G289 PolarHBondContact OG-N 2.9Å; L285-G289 VanDerWaalsContact O-CA 3.26Å; L285-G289 WeakPolarHBondContact O-CA 3.47Å; L285-G289 PolarHBondContact O-N 3.44Å; G289-W295 PolarHBondContact O-NE1 3.48Å; G289-L336 VanDerWaalsContact C-CD1 3.47Å; G289-L336 VanDerWaalsContact O-CD1 3.28Å; G289-L336 WeakPolarHBondContact O-CD1 3.17Å
290	H	95.4	Very high	96.5	Very high	11 Å²	11	20.4 Å²	20.4	5%	0.051	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-2.2	170.5	-70.1	-69.7	0	0	0	114.5	Y31 S237 V238 P239 L288 P292 L337	Y31-H290 AromaticContact CE1-NE2 3.6Å; Y31-H290 AromaticContact CZ-NE2 3.92Å; Y31-H290 PolarHBondContact OH-CE1 2.9Å; S237-H290 PolarHBondContact OG-CD2 3.19Å; S237-H290 PolarHBondContact OG-N 3.49Å; V238-H290 VanDerWaalsContact C-CD2 3.48Å; P239-H290 HydrophobicContact CB-CB 4.36Å; P239-H290 HydrophobicContact CG-CB 4.37Å; L288-H290 PolarHBondContact O-N 2.85Å; H290-P292 WeakPolarHBondContact O-CD 3.2Å; H290-L337 HydrophobicContact CB-CD2 4.42Å
291	H	95	Very high	96.6	Very high	17 Å²	17	21.3 Å²	21.3	8%	0.079	10%	0.101	C	C	.	.			trans	-85.2	112.2	176.5	-73	-107.1	0	0	0	109.9	E246 L288 D293 I294	E246-H291 IonicContact OE1-CE1 2.71Å; E246-H291 PolarHBondContact OE1-CE1 3.18Å; E246-H291 VanDerWaalsContact OE1-CE1 3.31Å; E246-H291 IonicContact OE1-NE2 3.58Å; E246-H291 PolarHBondContact OE1-NE2 3.02Å; L288-H291 WeakPolarHBondContact O-CB 3.29Å; L288-H291 PolarHBondContact O-N 2.99Å; H291-D293 VanDerWaalsContact C-N 3.35Å; H291-D293 WeakPolarHBondContact CB-OD1 3.34Å; H291-D293 PolarHBondContact O-N 3.42Å; H291-I294 HydrophobicContact CB-CD1 3.68Å; H291-I294 HydrophobicContact CB-CG1 3.88Å; H291-I294 PolarHBondContact O-N 2.96Å
292	P	96.7	Very high	96.6	Very high	29 Å²	29	21.3 Å²	21.3	19%	0.188	10%	0.102	C	C	.	.	H	α-helix	trans	-71	-28.2	-171.4	-18.9	33	0	0	0	114	H290 I294 W295 Y296 L337 N340 L342 L343	H290-P292 WeakPolarHBondContact O-CD 3.2Å; P292-I294 VanDerWaalsContact C-N 3.34Å; P292-W295 PolarHBondContact O-N 3.44Å; P292-Y296 PolarHBondContact O-N 2.95Å; P292-Y296 VanDerWaalsContact O-N 3.12Å; P292-L337 HydrophobicContact CB-CD1 4.29Å; P292-L337 HydrophobicContact CG-CD1 4.19Å; P292-N340 VanDerWaalsContact CG-ND2 3.28Å; P292-N340 WeakPolarHBondContact CG-ND2 3.27Å; P292-L342 HydrophobicContact CB-CD2 4.46Å; P292-L343 HydrophobicContact CB-CD1 4.12Å; P292-L343 HydrophobicContact CB-CG 4.2Å
293	D	95.3	Very high	96.6	Very high	56 Å²	56	22.2 Å²	22.2	30%	0.299	11%	0.106	S	C	.	.	H	α-helix	trans	-63.8	-37.9	177.6	63.3	-37.6	0	0	0	111.8	K254 H291 W295 Y296 E297	K254-D293 WeakPolarHBondContact CE-OD2 3.26Å; K254-D293 IonicContact NZ-OD2 2.79Å; K254-D293 PolarHBondContact NZ-OD2 3.41Å; H291-D293 VanDerWaalsContact C-N 3.35Å; H291-D293 WeakPolarHBondContact CB-OD1 3.34Å; H291-D293 PolarHBondContact O-N 3.42Å; D293-W295 PolarHBondContact O-N 2.87Å; D293-Y296 PolarHBondContact O-N 3.42Å; D293-E297 WeakPolarHBondContact O-CB 3.37Å; D293-E297 WeakPolarHBondContact O-CG 3.04Å; D293-E297 PolarHBondContact O-N 3.5Å
294	I	96.8	Very high	96.7	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.015	13%	0.132	C	C	.	.	H	α-helix	trans	-64.5	-42.2	178.8	-52.3	-179	0	0	0	111.3	Y281 C284 L285 L288 H291 P292 A298	Y281-I294 HydrophobicContact CD1-CG2 4.04Å; Y281-I294 HydrophobicContact CE1-CG2 4.35Å; C284-I294 HydrophobicContact CB-CG2 4.49Å; L285-I294 HydrophobicContact CD2-CB 4.07Å; L285-I294 HydrophobicContact CD2-CG2 3.66Å; L285-I294 HydrophobicContact CG-CG2 4.16Å; L288-I294 HydrophobicContact CB-CD1 3.45Å; L288-I294 VanDerWaalsContact CB-CD1 3.45Å; L288-I294 HydrophobicContact CD1-CD1 3.86Å; L288-I294 HydrophobicContact CG-CD1 4.31Å; H291-I294 HydrophobicContact CB-CD1 3.68Å; H291-I294 HydrophobicContact CB-CG1 3.88Å; H291-I294 PolarHBondContact O-N 2.96Å; P292-I294 VanDerWaalsContact C-N 3.34Å; I294-A298 WeakPolarHBondContact O-CB 3.39Å; I294-A298 PolarHBondContact O-N 3.39Å; I294-A298 VanDerWaalsContact O-N 3.07Å
295	W	97.9	Very high	96.6	Very high	7 Å²	7	27.9 Å²	27.9	3%	0.027	13%	0.132	C	C	.	.	H	α-helix	trans	-63.1	-42.1	173.7	-72.9	99.1	0	0	0	112	L285 G289 P292 D293 A299 I328 R331 A332 L336 L343	L285-W295 HydrophobicContact CD1-CD2 3.96Å; L285-W295 HydrophobicContact CD1-CE3 3.76Å; L285-W295 HydrophobicContact CD1-CH2 4.05Å; L285-W295 HydrophobicContact CD1-CZ2 4.24Å; L285-W295 HydrophobicContact CD1-CZ3 3.81Å; L285-W295 HydrophobicContact CD2-CD2 3.74Å; L285-W295 HydrophobicContact CD2-CE3 4.4Å; L285-W295 HydrophobicContact CD2-CG 3.88Å; L285-W295 HydrophobicContact CD2-CZ2 4.13Å; L285-W295 HydrophobicContact CG-CD2 4.49Å; G289-W295 PolarHBondContact O-NE1 3.48Å; P292-W295 PolarHBondContact O-N 3.44Å; D293-W295 PolarHBondContact O-N 2.87Å; W295-A299 PolarHBondContact O-N 3.42Å; W295-A299 VanDerWaalsContact O-N 3.13Å; W295-I328 HydrophobicContact CE3-CG2 3.77Å; W295-I328 HydrophobicContact CZ3-CG2 4.29Å; W295-I328 WeakPolarHBondContact CZ3-O 3.46Å; W295-R331 HydrophobicContact CH2-CB 4.19Å; W295-R331 HydrophobicContact CZ3-CB 3.91Å; W295-A332 HydrophobicContact CB-CB 4.13Å; W295-A332 HydrophobicContact CD2-CB 3.39Å; W295-A332 HydrophobicContact CE3-CB 3.47Å; W295-A332 VanDerWaalsContact CE3-CB 3.47Å; W295-A332 HydrophobicContact CG-CB 3.71Å; W295-A332 HydrophobicContact CH2-CB 4.5Å; W295-A332 HydrophobicContact CZ2-CB 4.43Å; W295-A332 HydrophobicContact CZ3-CB 4.04Å; W295-L336 HydrophobicContact CZ2-CD1 4.4Å; W295-L343 HydrophobicContact CB-CD1 4.24Å; W295-L343 HydrophobicContact CB-CD2 3.94Å; W295-L343 HydrophobicContact CG-CD1 4.44Å
296	Y	98	Very high	96.7	Very high	88 Å²	88	28 Å²	28	35%	0.345	13%	0.134	S	C	.	.	H	α-helix	trans	-66.7	-47.5	179	-178	-108.8	0	0	0	112.2	P292 D293 A298 A299 Q300 Y329 A346	P292-Y296 PolarHBondContact O-N 2.95Å; P292-Y296 VanDerWaalsContact O-N 3.12Å; D293-Y296 PolarHBondContact O-N 3.42Å; Y296-A298 VanDerWaalsContact C-N 3.3Å; Y296-A298 PolarHBondContact O-N 3.35Å; Y296-A299 PolarHBondContact O-N 3.3Å; Y296-Q300 HydrophobicContact CD1-CG 4.33Å; Y296-Q300 HydrophobicContact CE1-CG 4.01Å; Y296-Q300 HydrophobicContact CE2-CG 4.25Å; Y296-Q300 VanDerWaalsContact CZ-NE2 3.28Å; Y296-Q300 WeakPolarHBondContact O-CB 3.35Å; Y296-Q300 WeakPolarHBondContact O-CG 3.48Å; Y296-Q300 PolarHBondContact O-N 2.94Å; Y296-Q300 PolarHBondContact OH-NE2 3.46Å; Y296-Y329 HydrophobicContact CD2-CE1 4.2Å; Y296-Y329 WeakPolarHBondContact CD2-OH 3.29Å; Y296-A346 HydrophobicContact CD2-CB 3.66Å; Y296-A346 HydrophobicContact CE2-CB 3.68Å
297	E	98.1	Very high	96.7	Very high	55 Å²	55	32.8 Å²	32.8	26%	0.257	15%	0.154	S	C	.	.	H	α-helix	trans	-60.4	-37.9	176.5	-74.1	-176.5	-154.2	0	0	112.2	K254 Y281 D293 Y301	K254-E297 IonicContact NZ-OE1 2.75Å; K254-E297 PolarHBondContact NZ-OE1 3.46Å; Y281-E297 HydrophobicContact CE1-CB 4.01Å; Y281-E297 WeakPolarHBondContact OH-CB 3.46Å; Y281-E297 PolarHBondContact OH-OE2 3.17Å; D293-E297 WeakPolarHBondContact O-CB 3.37Å; D293-E297 WeakPolarHBondContact O-CG 3.04Å; D293-E297 PolarHBondContact O-N 3.5Å; E297-Y301 WeakPolarHBondContact O-CB 3.39Å; E297-Y301 PolarHBondContact O-N 3.1Å
298	A	98	Very high	96.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-48.1	176.1	0	0	0	0	0	111.8	M278 Y281 I294 Y296 Y301 L302 I328	M278-A298 HydrophobicContact CE-CB 4.3Å; Y281-A298 HydrophobicContact CD1-CB 3.63Å; Y281-A298 HydrophobicContact CD2-CB 3.93Å; Y281-A298 HydrophobicContact CE1-CB 4.02Å; Y281-A298 HydrophobicContact CE2-CB 4.3Å; Y281-A298 HydrophobicContact CG-CB 3.59Å; I294-A298 WeakPolarHBondContact O-CB 3.39Å; I294-A298 PolarHBondContact O-N 3.39Å; I294-A298 VanDerWaalsContact O-N 3.07Å; Y296-A298 VanDerWaalsContact C-N 3.3Å; Y296-A298 PolarHBondContact O-N 3.35Å; A298-Y301 PolarHBondContact O-N 3.07Å; A298-L302 PolarHBondContact O-N 2.97Å; A298-L302 VanDerWaalsContact O-N 3.14Å; A298-I328 HydrophobicContact CB-CG2 4.22Å
299	A	97.9	Very high	96.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67.2	-40.4	178.7	0	0	0	0	0	112.4	W295 Y296 Y301 L302 E303 I328 Y329	W295-A299 PolarHBondContact O-N 3.42Å; W295-A299 VanDerWaalsContact O-N 3.13Å; Y296-A299 PolarHBondContact O-N 3.3Å; A299-Y301 VanDerWaalsContact C-N 3.32Å; A299-Y301 PolarHBondContact O-N 3.19Å; A299-L302 PolarHBondContact O-N 2.63Å; A299-E303 PolarHBondContact O-N 3.09Å; A299-I328 HydrophobicContact CB-CB 4.28Å; A299-I328 HydrophobicContact CB-CG2 4.04Å; A299-Y329 HydrophobicContact CB-CD1 4.29Å; A299-Y329 HydrophobicContact CB-CD2 3.94Å; A299-Y329 HydrophobicContact CB-CE1 3.84Å; A299-Y329 HydrophobicContact CB-CE2 3.46Å; A299-Y329 VanDerWaalsContact CB-CE2 3.46Å; A299-Y329 HydrophobicContact CB-CG 4.33Å
300	Q	97.6	Very high	96.7	Very high	88 Å²	88	36.3 Å²	36.3	41%	0.411	18%	0.177	S	C	.	.	H	α-helix	trans	-60.4	-40.5	172.6	-80.6	-152.3	-27.2	0	0	112.4	Y296 L302 E303 Q304	Y296-Q300 HydrophobicContact CD1-CG 4.33Å; Y296-Q300 HydrophobicContact CE1-CG 4.01Å; Y296-Q300 HydrophobicContact CE2-CG 4.25Å; Y296-Q300 VanDerWaalsContact CZ-NE2 3.28Å; Y296-Q300 WeakPolarHBondContact O-CB 3.35Å; Y296-Q300 WeakPolarHBondContact O-CG 3.48Å; Y296-Q300 PolarHBondContact O-N 2.94Å; Y296-Q300 PolarHBondContact OH-NE2 3.46Å; Q300-L302 VanDerWaalsContact C-N 3.34Å; Q300-L302 PolarHBondContact O-N 3.17Å; Q300-E303 PolarHBondContact O-N 3.18Å; Q300-Q304 WeakPolarHBondContact O-CB 3.34Å; Q300-Q304 PolarHBondContact O-N 3.33Å
301	Y	98.1	Very high	96.7	Very high	18 Å²	18	43.4 Å²	43.4	7%	0.071	21%	0.211	C	C	.	.	H	α-helix	trans	-66.6	-35.5	178.4	-178.5	-99.8	0	0	0	112.5	K261 T274 V277 M278 Y281 E297 A298 A299 S305	K261-Y301 HydrophobicContact CD-CD2 4.13Å; K261-Y301 HydrophobicContact CD-CE2 4.2Å; K261-Y301 HydrophobicContact CG-CD2 4.35Å; K261-Y301 HydrophobicContact CG-CE2 3.96Å; T274-Y301 HydrophobicContact CG2-CE1 4.05Å; V277-Y301 HydrophobicContact CB-CD1 4.17Å; V277-Y301 HydrophobicContact CB-CE1 3.48Å; V277-Y301 VanDerWaalsContact CB-CE1 3.48Å; V277-Y301 HydrophobicContact CG1-CD1 3.55Å; V277-Y301 HydrophobicContact CG1-CD2 4.49Å; V277-Y301 HydrophobicContact CG1-CE1 3.33Å; V277-Y301 HydrophobicContact CG1-CE2 4.3Å; V277-Y301 HydrophobicContact CG1-CG 4.14Å; V277-Y301 HydrophobicContact CG2-CE1 4.1Å; M278-Y301 HydrophobicContact SD-CD1 4.41Å; Y281-Y301 HydrophobicContact CE2-CG 4.47Å; E297-Y301 WeakPolarHBondContact O-CB 3.39Å; E297-Y301 PolarHBondContact O-N 3.1Å; A298-Y301 PolarHBondContact O-N 3.07Å; A299-Y301 VanDerWaalsContact C-N 3.32Å; A299-Y301 PolarHBondContact O-N 3.19Å; Y301-S305 VanDerWaalsContact O-CB 3.3Å; Y301-S305 WeakPolarHBondContact O-CB 3.4Å; Y301-S305 PolarHBondContact O-N 3.25Å; Y301-S305 PolarHBondContact O-OG 2.91Å
302	L	97.9	Very high	96.6	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-66.1	-42.1	170.2	-77.9	170.1	0	0	0	112.5	T274 M278 A298 A299 Q300 S305 S306 F321 E324 A325 I328	T274-L302 HydrophobicContact CG2-CD2 3.95Å; M278-L302 HydrophobicContact CE-CD1 3.75Å; M278-L302 HydrophobicContact CE-CG 4.15Å; M278-L302 HydrophobicContact CG-CD2 3.75Å; M278-L302 HydrophobicContact CG-CG 4.09Å; M278-L302 HydrophobicContact SD-CD1 3.88Å; M278-L302 HydrophobicContact SD-CD2 3.95Å; M278-L302 HydrophobicContact SD-CG 3.56Å; M278-L302 VanDerWaalsContact SD-CG 3.56Å; A298-L302 PolarHBondContact O-N 2.97Å; A298-L302 VanDerWaalsContact O-N 3.14Å; A299-L302 PolarHBondContact O-N 2.63Å; Q300-L302 VanDerWaalsContact C-N 3.34Å; Q300-L302 PolarHBondContact O-N 3.17Å; L302-S305 PolarHBondContact O-N 3.24Å; L302-S306 VanDerWaalsContact O-CB 3.24Å; L302-S306 WeakPolarHBondContact O-CB 3.41Å; L302-S306 PolarHBondContact O-N 3.18Å; L302-F321 HydrophobicContact CD2-CB 4.05Å; L302-F321 HydrophobicContact CD2-CD1 3.93Å; L302-F321 HydrophobicContact CD2-CG 4.08Å; L302-E324 HydrophobicContact CD1-CB 4.21Å; L302-E324 HydrophobicContact CD1-CG 3.97Å; L302-A325 HydrophobicContact CB-CB 3.73Å; L302-A325 HydrophobicContact CD1-CB 4.31Å; L302-I328 HydrophobicContact CD1-CG1 3.61Å
303	E	96.8	Very high	96.5	Very high	43 Å²	43	50.2 Å²	50.2	20%	0.201	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-47	174.9	-179.2	-177.1	161	0	0	111.6	A299 Q300 S305 S306 K307 Y350	A299-E303 PolarHBondContact O-N 3.09Å; Q300-E303 PolarHBondContact O-N 3.18Å; E303-S305 PolarHBondContact O-N 3.04Å; E303-S306 WeakPolarHBondContact O-CB 3.41Å; E303-S306 PolarHBondContact O-N 3.49Å; E303-K307 WeakPolarHBondContact O-CG 3.44Å; E303-K307 PolarHBondContact O-N 3.06Å; E303-K307 WeakPolarHBondContact OE1-CE 3.48Å; E303-K307 IonicContact OE1-NZ 2.8Å; E303-K307 PolarHBondContact OE1-NZ 3.11Å; E303-Y350 HydrophobicContact CB-CE2 3.91Å; E303-Y350 HydrophobicContact CG-CE2 3.81Å; E303-Y350 WeakPolarHBondContact OE2-CD2 3.37Å; E303-Y350 WeakPolarHBondContact OE2-CE2 3.49Å
304	Q	96.7	Very high	96.5	Very high	125 Å²	125	49.9 Å²	49.9	58%	0.584	25%	0.251	S	S	*	.	H	α-helix	trans	-60.2	-46.1	176.2	-173.8	-178	13	0	0	111.3	Q300 S306 K307 L308	Q300-Q304 WeakPolarHBondContact O-CB 3.34Å; Q300-Q304 PolarHBondContact O-N 3.33Å; Q304-S306 VanDerWaalsContact C-N 3.33Å; Q304-S306 PolarHBondContact O-N 2.86Å; Q304-K307 PolarHBondContact O-N 3.2Å; Q304-L308 WeakPolarHBondContact O-CB 3.25Å; Q304-L308 PolarHBondContact O-N 2.87Å
305	S	96.6	Very high	96.4	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-66.3	-34.8	179.2	-59.3	0	0	0	0	112.4	T274 Y301 L302 E303 L309	T274-S305 WeakPolarHBondContact OG1-CB 3.15Å; T274-S305 PolarHBondContact OG1-OG 3.47Å; Y301-S305 VanDerWaalsContact O-CB 3.3Å; Y301-S305 WeakPolarHBondContact O-CB 3.4Å; Y301-S305 PolarHBondContact O-N 3.25Å; Y301-S305 PolarHBondContact O-OG 2.91Å; L302-S305 PolarHBondContact O-N 3.24Å; E303-S305 PolarHBondContact O-N 3.04Å; S305-L309 WeakPolarHBondContact O-CG 3.41Å; S305-L309 PolarHBondContact O-N 3.33Å
306	S	96.8	Very high	96.2	Very high	11 Å²	11	61.7 Å²	61.7	8%	0.077	31%	0.313	C	S	.	.	H	α-helix	trans	-64.2	-46.3	174.7	175.1	0	0	0	0	111.7	L302 E303 Q304 L309 A310 S318 S322	L302-S306 VanDerWaalsContact O-CB 3.24Å; L302-S306 WeakPolarHBondContact O-CB 3.41Å; L302-S306 PolarHBondContact O-N 3.18Å; E303-S306 WeakPolarHBondContact O-CB 3.41Å; E303-S306 PolarHBondContact O-N 3.49Å; Q304-S306 VanDerWaalsContact C-N 3.33Å; Q304-S306 PolarHBondContact O-N 2.86Å; S306-L309 PolarHBondContact O-N 2.94Å; S306-A310 PolarHBondContact O-N 3.4Å; S306-A310 VanDerWaalsContact O-N 3.14Å; S306-S318 WeakPolarHBondContact CB-O 3.48Å; S306-S318 VanDerWaalsContact O-CB 3.3Å; S306-S318 WeakPolarHBondContact O-CB 3.28Å; S306-S318 PolarHBondContact O-OG 3.46Å; S306-S318 PolarHBondContact OG-O 3.41Å; S306-S318 PolarHBondContact OG-OG 3.28Å; S306-S322 WeakPolarHBondContact OG-CB 3.34Å
307	K	95.5	Very high	96	Very high	113 Å²	113	59.8 Å²	59.8	49%	0.491	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-46.7	176.3	-68.7	174.3	-171.6	172.1	0	111.5	E303 Q304 L309 A310 E311	E303-K307 WeakPolarHBondContact O-CG 3.44Å; E303-K307 PolarHBondContact O-N 3.06Å; E303-K307 WeakPolarHBondContact OE1-CE 3.48Å; E303-K307 IonicContact OE1-NZ 2.8Å; E303-K307 PolarHBondContact OE1-NZ 3.11Å; Q304-K307 PolarHBondContact O-N 3.2Å; K307-L309 VanDerWaalsContact C-N 3.29Å; K307-L309 PolarHBondContact O-N 3.02Å; K307-A310 WeakPolarHBondContact O-CB 3.4Å; K307-A310 PolarHBondContact O-N 3.3Å; K307-E311 PolarHBondContact O-N 3.09Å
308	L	95.4	Very high	95.9	Very high	53 Å²	53	57.8 Å²	57.8	28%	0.277	30%	0.3	S	S	.	.	H	α-helix	trans	-62.9	-32.8	179.6	-169.5	150.6	0	0	0	112.8	Q270 Q304 K312	Q270-L308 HydrophobicContact CB-CD2 4.37Å; Q270-L308 HydrophobicContact CG-CD2 3.82Å; Q304-L308 WeakPolarHBondContact O-CB 3.25Å; Q304-L308 PolarHBondContact O-N 2.87Å; L308-K312 HydrophobicContact CD2-CD 3.91Å; L308-K312 WeakPolarHBondContact O-CG 3.29Å; L308-K312 PolarHBondContact O-N 3.35Å
309	L	95.4	Very high	95.8	Very high	7 Å²	7	64.4 Å²	64.4	4%	0.037	33%	0.329	C	S	.	.	H	α-helix	trans	-70.8	-36.8	171.9	-77.4	176	0	0	0	113.2	Q270 T271 S305 S306 K307 K312 G313 D314 N317 F321	Q270-L309 HydrophobicContact CB-CD2 3.86Å; Q270-L309 HydrophobicContact CG-CD2 4.02Å; Q270-L309 HydrophobicContact CG-CG 4.12Å; T271-L309 HydrophobicContact CG2-CD1 4.38Å; T271-L309 HydrophobicContact CG2-CD2 4.26Å; S305-L309 WeakPolarHBondContact O-CG 3.41Å; S305-L309 PolarHBondContact O-N 3.33Å; S306-L309 PolarHBondContact O-N 2.94Å; K307-L309 VanDerWaalsContact C-N 3.29Å; K307-L309 PolarHBondContact O-N 3.02Å; L309-K312 CarbonylContact O-C 3.51Å; L309-K312 PolarHBondContact O-N 3.47Å; L309-G313 PolarHBondContact O-N 3.4Å; L309-G313 VanDerWaalsContact O-N 3.16Å; L309-D314 HydrophobicContact CB-CB 4.48Å; L309-D314 HydrophobicContact CD2-CB 4.21Å; L309-D314 PolarHBondContact O-N 3.37Å; L309-N317 HydrophobicContact CD1-CB 3.76Å; L309-F321 HydrophobicContact CD1-CD2 3.52Å; L309-F321 HydrophobicContact CD1-CE2 3.63Å
310	A	95.2	Very high	95.7	Very high	35 Å²	35	68.8 Å²	68.8	29%	0.289	35%	0.352	S	S	.	.	H	α-helix	trans	-63.9	-42.1	174.7	0	0	0	0	0	111.3	S306 K307 K312 G313 M315	S306-A310 PolarHBondContact O-N 3.4Å; S306-A310 VanDerWaalsContact O-N 3.14Å; K307-A310 WeakPolarHBondContact O-CB 3.4Å; K307-A310 PolarHBondContact O-N 3.3Å; A310-K312 VanDerWaalsContact C-N 3.28Å; A310-K312 PolarHBondContact O-N 2.91Å; A310-G313 PolarHBondContact O-N 2.75Å; A310-M315 HydrophobicContact CB-SD 3.87Å
311	E	95.6	Very high	95.7	Very high	160 Å²	160	65.2 Å²	65.2	75%	0.748	34%	0.335	S	S	*	.	H	α-helix	trans	-60.2	-36.1	173.8	-69.7	167.3	-170.4	0	0	112.5	K307 G313	K307-E311 PolarHBondContact O-N 3.09Å; E311-G313 VanDerWaalsContact C-N 3.26Å; E311-G313 PolarHBondContact O-N 2.98Å
312	K	93.4	Very high	95.6	Very high	131 Å²	131	65.2 Å²	65.2	57%	0.57	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-1	173.3	-71.4	-179.2	175.2	-178.6	0	114.3	L308 L309 A310	L308-K312 HydrophobicContact CD2-CD 3.91Å; L308-K312 WeakPolarHBondContact O-CG 3.29Å; L308-K312 PolarHBondContact O-N 3.35Å; L309-K312 CarbonylContact O-C 3.51Å; L309-K312 PolarHBondContact O-N 3.47Å; A310-K312 VanDerWaalsContact C-N 3.28Å; A310-K312 PolarHBondContact O-N 2.91Å
313	G	93.8	Very high	95.5	Very high	57 Å²	57	68.4 Å²	68.4	59%	0.588	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	0	179.5	0	0	0	0	0	116	L309 A310 E311 M315	L309-G313 PolarHBondContact O-N 3.4Å; L309-G313 VanDerWaalsContact O-N 3.16Å; A310-G313 PolarHBondContact O-N 2.75Å; E311-G313 VanDerWaalsContact C-N 3.26Å; E311-G313 PolarHBondContact O-N 2.98Å; G313-M315 VanDerWaalsContact C-N 3.33Å; G313-M315 PolarHBondContact O-N 3.36Å; G313-M315 VanDerWaalsContact O-N 3.08Å
314	D	94.6	Very high	95.5	Very high	49 Å²	49	69.5 Å²	69.5	26%	0.262	36%	0.36	S	S	.	.			trans	-86.9	72.8	177.2	-171.2	-10.6	0	0	0	111.2	L309 N316 N317 S318	L309-D314 HydrophobicContact CB-CB 4.48Å; L309-D314 HydrophobicContact CD2-CB 4.21Å; L309-D314 PolarHBondContact O-N 3.37Å; D314-N316 PolarHBondContact O-N 3.12Å; D314-N316 PolarHBondContact OD1-N 3.22Å; D314-N317 PolarHBondContact OD1-N 3.29Å; D314-N317 PolarHBondContact OD1-ND2 3.05Å; D314-N317 WeakPolarHBondContact OD2-CB 3.49Å; D314-N317 PolarHBondContact OD2-ND2 3.44Å; D314-S318 WeakPolarHBondContact O-CB 3.46Å; D314-S318 PolarHBondContact O-N 3.42Å
315	M	94.4	Very high	95.5	Very high	119 Å²	119	63.6 Å²	63.6	59%	0.586	33%	0.332	S	S	*	.	H	α-helix	trans	-63.2	-27.4	-178.8	-63	-58.3	-67.4	0	0	113.3	A310 G313 K319	A310-M315 HydrophobicContact CB-SD 3.87Å; G313-M315 VanDerWaalsContact C-N 3.33Å; G313-M315 PolarHBondContact O-N 3.36Å; G313-M315 VanDerWaalsContact O-N 3.08Å; M315-K319 WeakPolarHBondContact O-CB 3.48Å; M315-K319 PolarHBondContact O-N 2.72Å
316	N	95.6	Very high	95.6	Very high	139 Å²	139	63.9 Å²	63.9	74%	0.743	34%	0.335	S	S	*	.	H	α-helix	trans	-73.9	-51.2	-177.8	-74.2	-21.9	0	0	0	111.3	D314 S318 K319 L320	D314-N316 PolarHBondContact O-N 3.12Å; D314-N316 PolarHBondContact OD1-N 3.22Å; N316-S318 VanDerWaalsContact C-N 3.34Å; N316-K319 PolarHBondContact O-N 3.13Å; N316-L320 PolarHBondContact O-N 2.79Å; N316-L320 VanDerWaalsContact O-N 3.11Å
317	N	93.6	Very high	95.5	Very high	49 Å²	49	66.6 Å²	66.6	26%	0.262	35%	0.349	S	S	.	.	H	α-helix	trans	-72.5	-29.8	175.6	-69.4	-58	0	0	0	111.9	T271 L309 D314 L320 F321	T271-N317 HydrophobicContact CG2-CB 4.12Å; L309-N317 HydrophobicContact CD1-CB 3.76Å; D314-N317 PolarHBondContact OD1-N 3.29Å; D314-N317 PolarHBondContact OD1-ND2 3.05Å; D314-N317 WeakPolarHBondContact OD2-CB 3.49Å; D314-N317 PolarHBondContact OD2-ND2 3.44Å; N317-L320 PolarHBondContact O-N 3.38Å; N317-F321 PolarHBondContact O-N 2.87Å
318	S	95.7	Very high	95.6	Very high	12 Å²	12	61.2 Å²	61.2	8%	0.084	33%	0.325	C	S	.	.	H	α-helix	trans	-55.6	-51.6	170	173.7	0	0	0	0	111.6	S306 D314 N316 L320 F321 S322	S306-S318 WeakPolarHBondContact CB-O 3.48Å; S306-S318 VanDerWaalsContact O-CB 3.3Å; S306-S318 WeakPolarHBondContact O-CB 3.28Å; S306-S318 PolarHBondContact O-OG 3.46Å; S306-S318 PolarHBondContact OG-O 3.41Å; S306-S318 PolarHBondContact OG-OG 3.28Å; D314-S318 WeakPolarHBondContact O-CB 3.46Å; D314-S318 PolarHBondContact O-N 3.42Å; N316-S318 VanDerWaalsContact C-N 3.34Å; S318-L320 PolarHBondContact O-N 3Å; S318-F321 PolarHBondContact O-N 2.76Å; S318-S322 PolarHBondContact O-N 3.14Å
319	K	95.4	Very high	95.7	Very high	139 Å²	139	58.9 Å²	58.9	60%	0.604	31%	0.313	S	S	*	.	H	α-helix	trans	-63.1	-41.9	178.1	-173.7	178	177.8	-176.7	0	111.9	M315 N316 F321 S322 D323	M315-K319 WeakPolarHBondContact O-CB 3.48Å; M315-K319 PolarHBondContact O-N 2.72Å; N316-K319 PolarHBondContact O-N 3.13Å; K319-F321 PolarHBondContact O-N 3.32Å; K319-S322 WeakPolarHBondContact O-CB 3.4Å; K319-S322 PolarHBondContact O-N 3.33Å; K319-S322 VanDerWaalsContact O-N 3.11Å; K319-D323 PolarHBondContact O-N 3.28Å
320	L	96.2	Very high	95.7	Very high	92 Å²	92	61.3 Å²	61.3	48%	0.482	32%	0.324	S	S	.	.	H	α-helix	trans	-55.1	-48.5	176.9	-177.5	67.1	0	0	0	111.8	N316 N317 S318 S322 D323 E324	N316-L320 PolarHBondContact O-N 2.79Å; N316-L320 VanDerWaalsContact O-N 3.11Å; N317-L320 PolarHBondContact O-N 3.38Å; S318-L320 PolarHBondContact O-N 3Å; L320-S322 PolarHBondContact O-N 3.42Å; L320-D323 PolarHBondContact O-N 3.1Å; L320-E324 WeakPolarHBondContact O-CB 3.39Å; L320-E324 PolarHBondContact O-N 3.41Å
321	F	96.1	Very high	95.7	Very high	13 Å²	13	62.3 Å²	62.3	6%	0.057	32%	0.32	C	S	.	.	H	α-helix	trans	-71.5	-26.1	177.5	-67.5	-29.1	0	0	0	113.6	T274 L302 L309 N317 S318 K319 A325	T274-F321 HydrophobicContact CG2-CD1 4.41Å; T274-F321 HydrophobicContact CG2-CD2 3.89Å; T274-F321 HydrophobicContact CG2-CE1 4.16Å; T274-F321 HydrophobicContact CG2-CE2 3.61Å; T274-F321 HydrophobicContact CG2-CG 4.3Å; T274-F321 HydrophobicContact CG2-CZ 3.76Å; L302-F321 HydrophobicContact CD2-CB 4.05Å; L302-F321 HydrophobicContact CD2-CD1 3.93Å; L302-F321 HydrophobicContact CD2-CG 4.08Å; L309-F321 HydrophobicContact CD1-CD2 3.52Å; L309-F321 HydrophobicContact CD1-CE2 3.63Å; N317-F321 PolarHBondContact O-N 2.87Å; S318-F321 PolarHBondContact O-N 2.76Å; K319-F321 PolarHBondContact O-N 3.32Å; F321-A325 WeakPolarHBondContact O-CB 3.49Å; F321-A325 PolarHBondContact O-N 3.18Å
322	S	96.5	Very high	95.7	Very high	19 Å²	19	54.7 Å²	54.7	13%	0.133	29%	0.285	C	S	.	.	H	α-helix	trans	-69.6	-40.6	170.9	177.3	0	0	0	0	112.7	S306 S318 K319 L320 A326 Y350 R354	S306-S322 WeakPolarHBondContact OG-CB 3.34Å; S318-S322 PolarHBondContact O-N 3.14Å; K319-S322 WeakPolarHBondContact O-CB 3.4Å; K319-S322 PolarHBondContact O-N 3.33Å; K319-S322 VanDerWaalsContact O-N 3.11Å; L320-S322 PolarHBondContact O-N 3.42Å; S322-A326 PolarHBondContact O-N 3.19Å; S322-Y350 WeakPolarHBondContact CA-OH 3.44Å; S322-Y350 PolarHBondContact O-OH 2.68Å; S322-Y350 VanDerWaalsContact O-OH 3.08Å; S322-Y350 PolarHBondContact OG-OH 3.11Å; S322-R354 PolarHBondContact O-NH2 3.25Å; S322-R354 VanDerWaalsContact OG-CZ 3.26Å; S322-R354 PolarHBondContact OG-NE 2.9Å; S322-R354 PolarHBondContact OG-NH2 2.92Å
323	D	96.6	Very high	95.8	Very high	67 Å²	67	48.5 Å²	48.5	36%	0.358	26%	0.258	S	S	.	.	H	α-helix	trans	-70.5	-34.5	174.1	-75.9	-42.6	0	0	0	111.3	K319 L320 A326 N327 R354 K356	K319-D323 PolarHBondContact O-N 3.28Å; L320-D323 PolarHBondContact O-N 3.1Å; D323-A326 PolarHBondContact O-N 3.22Å; D323-N327 PolarHBondContact O-N 2.81Å; D323-N327 VanDerWaalsContact O-N 3.13Å; D323-R354 IonicContact OD1-CZ 3.56Å; D323-R354 IonicContact OD1-NH1 2.71Å; D323-R354 IonicContact OD1-NH2 3.19Å; D323-R354 PolarHBondContact OD1-NH2 3.36Å; D323-K356 IonicContact OD1-NZ 2.85Å; D323-K356 PolarHBondContact OD1-NZ 3.47Å
324	E	96.4	Very high	95.7	Very high	67 Å²	67	47.6 Å²	47.6	31%	0.313	25%	0.248	S	C	.	.	H	α-helix	trans	-67.4	-36.2	173.2	-166.6	60.1	-132.4	0	0	112.7	L302 L320 A326 N327 I328	L302-E324 HydrophobicContact CD1-CB 4.21Å; L302-E324 HydrophobicContact CD1-CG 3.97Å; L320-E324 WeakPolarHBondContact O-CB 3.39Å; L320-E324 PolarHBondContact O-N 3.41Å; E324-A326 VanDerWaalsContact C-N 3.3Å; E324-A326 PolarHBondContact O-N 2.63Å; E324-N327 CarbonylContact O-C 3.54Å; E324-N327 WeakPolarHBondContact O-CA 3.33Å; E324-N327 VanDerWaalsContact O-CB 3.29Å; E324-N327 WeakPolarHBondContact O-CB 3.27Å; E324-N327 PolarHBondContact O-N 2.87Å; E324-N327 PolarHBondContact OE1-ND2 2.98Å; E324-I328 WeakPolarHBondContact O-CG1 3.33Å; E324-I328 PolarHBondContact O-N 3.08Å
325	A	97.4	Very high	95.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.2	-41.1	175	0	0	0	0	0	112.1	L302 F321 N327 I328 Y329 Y350	L302-A325 HydrophobicContact CB-CB 3.73Å; L302-A325 HydrophobicContact CD1-CB 4.31Å; F321-A325 WeakPolarHBondContact O-CB 3.49Å; F321-A325 PolarHBondContact O-N 3.18Å; A325-N327 VanDerWaalsContact C-N 3.33Å; A325-I328 PolarHBondContact O-N 3.08Å; A325-Y329 WeakPolarHBondContact O-CD2 3.31Å; A325-Y329 PolarHBondContact O-N 3.43Å; A325-Y350 HydrophobicContact CB-CE1 3.86Å; A325-Y350 HydrophobicContact CB-CE2 4.28Å; A325-Y350 WeakPolarHBondContact CB-OH 3.45Å
326	A	97.1	Very high	95.3	Very high	9 Å²	9	43.5 Å²	43.5	7%	0.074	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-36.3	171.7	0	0	0	0	0	112.2	S322 D323 E324 Y329 E330 F347 Y350	S322-A326 PolarHBondContact O-N 3.19Å; D323-A326 PolarHBondContact O-N 3.22Å; E324-A326 VanDerWaalsContact C-N 3.3Å; E324-A326 PolarHBondContact O-N 2.63Å; A326-Y329 PolarHBondContact O-N 2.78Å; A326-E330 WeakPolarHBondContact O-CB 3.37Å; A326-E330 PolarHBondContact O-N 2.98Å; A326-F347 HydrophobicContact CB-CE2 3.97Å; A326-Y350 HydrophobicContact CB-CD1 4.3Å; A326-Y350 HydrophobicContact CB-CE1 4.02Å
327	N	96.4	Very high	95.3	Very high	68 Å²	68	37.7 Å²	37.7	36%	0.364	20%	0.2	S	C	.	.	H	α-helix	trans	-65.3	-39	175.6	-172.5	45.6	0	0	0	112.5	D323 E324 A325 Y329 E330 R331	D323-N327 PolarHBondContact O-N 2.81Å; D323-N327 VanDerWaalsContact O-N 3.13Å; E324-N327 CarbonylContact O-C 3.54Å; E324-N327 WeakPolarHBondContact O-CA 3.33Å; E324-N327 VanDerWaalsContact O-CB 3.29Å; E324-N327 WeakPolarHBondContact O-CB 3.27Å; E324-N327 PolarHBondContact O-N 2.87Å; E324-N327 PolarHBondContact OE1-ND2 2.98Å; A325-N327 VanDerWaalsContact C-N 3.33Å; N327-Y329 VanDerWaalsContact C-N 3.35Å; N327-Y329 PolarHBondContact O-N 3.08Å; N327-E330 PolarHBondContact O-N 3.01Å; N327-R331 VanDerWaalsContact O-CB 3.25Å; N327-R331 WeakPolarHBondContact O-CB 3.43Å; N327-R331 WeakPolarHBondContact O-CD 3.39Å; N327-R331 WeakPolarHBondContact O-CG 3.34Å; N327-R331 PolarHBondContact O-N 2.95Å
328	I	96.9	Very high	95.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.7	-47.3	173.4	-63.4	-57.6	0	0	0	110.6	M278 W295 A298 A299 L302 E324 A325 R331 A332	M278-I328 HydrophobicContact CE-CD1 3.78Å; M278-I328 HydrophobicContact CE-CG1 4.08Å; W295-I328 HydrophobicContact CE3-CG2 3.77Å; W295-I328 HydrophobicContact CZ3-CG2 4.29Å; W295-I328 WeakPolarHBondContact CZ3-O 3.46Å; A298-I328 HydrophobicContact CB-CG2 4.22Å; A299-I328 HydrophobicContact CB-CB 4.28Å; A299-I328 HydrophobicContact CB-CG2 4.04Å; L302-I328 HydrophobicContact CD1-CG1 3.61Å; E324-I328 WeakPolarHBondContact O-CG1 3.33Å; E324-I328 PolarHBondContact O-N 3.08Å; A325-I328 PolarHBondContact O-N 3.08Å; I328-R331 PolarHBondContact O-N 2.87Å; I328-A332 PolarHBondContact O-N 3.22Å
329	Y	97.6	Very high	95.2	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-49.8	175.9	-74.2	-57	0	0	0	113.2	Y296 A299 A325 A326 N327 R331 A332 I333 L343 A346 F347 Y350	Y296-Y329 HydrophobicContact CD2-CE1 4.2Å; Y296-Y329 WeakPolarHBondContact CD2-OH 3.29Å; A299-Y329 HydrophobicContact CB-CD1 4.29Å; A299-Y329 HydrophobicContact CB-CD2 3.94Å; A299-Y329 HydrophobicContact CB-CE1 3.84Å; A299-Y329 HydrophobicContact CB-CE2 3.46Å; A299-Y329 VanDerWaalsContact CB-CE2 3.46Å; A299-Y329 HydrophobicContact CB-CG 4.33Å; A325-Y329 WeakPolarHBondContact O-CD2 3.31Å; A325-Y329 PolarHBondContact O-N 3.43Å; A326-Y329 PolarHBondContact O-N 2.78Å; N327-Y329 VanDerWaalsContact C-N 3.35Å; N327-Y329 PolarHBondContact O-N 3.08Å; Y329-R331 VanDerWaalsContact C-N 3.27Å; Y329-R331 PolarHBondContact O-N 2.73Å; Y329-A332 WeakPolarHBondContact O-CB 3.43Å; Y329-A332 PolarHBondContact O-N 3.19Å; Y329-A332 VanDerWaalsContact O-N 3.09Å; Y329-I333 WeakPolarHBondContact O-CG1 3.41Å; Y329-I333 PolarHBondContact O-N 3.2Å; Y329-I333 VanDerWaalsContact O-N 3.11Å; Y329-L343 HydrophobicContact CD1-CD2 4.46Å; Y329-L343 HydrophobicContact CE1-CD2 4.43Å; Y329-A346 HydrophobicContact CD1-CB 4.48Å; Y329-A346 HydrophobicContact CE1-CB 3.66Å; Y329-F347 VanDerWaalsContact CB-CD2 3.49Å; Y329-F347 HydrophobicContact CD1-CB 4.22Å; Y329-F347 HydrophobicContact CD2-CB 4.32Å; Y329-F347 AromaticContact CD2-CD2 3.92Å; Y329-F347 HydrophobicContact CD2-CD2 3.92Å; Y329-F347 HydrophobicContact CD2-CG 4.44Å; Y329-F347 HydrophobicContact CG-CB 3.86Å; Y329-F347 AromaticContact CG-CD2 3.98Å; Y329-F347 HydrophobicContact CG-CD2 3.98Å; Y329-F347 HydrophobicContact CG-CG 4.08Å; Y329-Y350 HydrophobicContact CD2-CD1 4.19Å; Y329-Y350 HydrophobicContact CD2-CG 4.25Å; Y329-Y350 HydrophobicContact CE2-CD1 4.2Å; Y329-Y350 HydrophobicContact CE2-CD2 4.34Å; Y329-Y350 AromaticContact CE2-CG 3.84Å; Y329-Y350 HydrophobicContact CE2-CG 3.84Å
330	E	96.1	Very high	95.2	Very high	58 Å²	58	41.1 Å²	41.1	27%	0.271	21%	0.213	S	C	.	.	H	α-helix	trans	-60.5	-36.7	179.6	-171.7	76.7	-113.7	0	0	111.5	A326 N327 G334 F347 K359 K366	A326-E330 WeakPolarHBondContact O-CB 3.37Å; A326-E330 PolarHBondContact O-N 2.98Å; N327-E330 PolarHBondContact O-N 3.01Å; E330-G334 WeakPolarHBondContact O-CA 3.23Å; E330-G334 PolarHBondContact O-N 2.63Å; E330-F347 HydrophobicContact CB-CE1 4.16Å; E330-F347 HydrophobicContact CB-CZ 4.1Å; E330-F347 WeakPolarHBondContact OE2-CE1 3.46Å; E330-K359 IonicContact OE2-NZ 2.82Å; E330-K359 PolarHBondContact OE2-NZ 2.98Å; E330-K366 IonicContact OE1-NZ 2.68Å; E330-K366 PolarHBondContact OE1-NZ 3.12Å
331	R	94.9	Very high	95.2	Very high	56 Å²	56	38.9 Å²	38.9	21%	0.211	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-46.1	171.9	-76	166.7	58.8	-168.8	-3.2	112	E282 W295 N327 I328 Y329 G334 T335	E282-R331 VanDerWaalsContact CD-NH2 3.32Å; E282-R331 IonicContact OE1-CZ 2.7Å; E282-R331 IonicContact OE1-NH1 2.73Å; E282-R331 PolarHBondContact OE1-NH1 3.43Å; E282-R331 IonicContact OE1-NH2 2.71Å; E282-R331 PolarHBondContact OE1-NH2 3.03Å; E282-R331 VanDerWaalsContact OE1-NH2 3.12Å; E282-R331 IonicContact OE2-CZ 3.92Å; E282-R331 IonicContact OE2-NH1 3.44Å; E282-R331 IonicContact OE2-NH2 3.12Å; E282-R331 PolarHBondContact OE2-NH2 3.01Å; W295-R331 HydrophobicContact CH2-CB 4.19Å; W295-R331 HydrophobicContact CZ3-CB 3.91Å; N327-R331 VanDerWaalsContact O-CB 3.25Å; N327-R331 WeakPolarHBondContact O-CB 3.43Å; N327-R331 WeakPolarHBondContact O-CD 3.39Å; N327-R331 WeakPolarHBondContact O-CG 3.34Å; N327-R331 PolarHBondContact O-N 2.95Å; I328-R331 PolarHBondContact O-N 2.87Å; Y329-R331 VanDerWaalsContact C-N 3.27Å; Y329-R331 PolarHBondContact O-N 2.73Å; R331-G334 PolarHBondContact O-N 3.3Å; R331-T335 WeakPolarHBondContact O-CB 3.2Å; R331-T335 WeakPolarHBondContact O-CG2 3.38Å; R331-T335 PolarHBondContact O-N 2.67Å; R331-T335 PolarHBondContact O-OG1 2.82Å
332	A	95.6	Very high	95.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-51.2	-178.6	0	0	0	0	0	111.5	W295 I328 Y329 L337 L343	W295-A332 HydrophobicContact CB-CB 4.13Å; W295-A332 HydrophobicContact CD2-CB 3.39Å; W295-A332 HydrophobicContact CE3-CB 3.47Å; W295-A332 VanDerWaalsContact CE3-CB 3.47Å; W295-A332 HydrophobicContact CG-CB 3.71Å; W295-A332 HydrophobicContact CH2-CB 4.5Å; W295-A332 HydrophobicContact CZ2-CB 4.43Å; W295-A332 HydrophobicContact CZ3-CB 4.04Å; I328-A332 PolarHBondContact O-N 3.22Å; Y329-A332 WeakPolarHBondContact O-CB 3.43Å; Y329-A332 PolarHBondContact O-N 3.19Å; Y329-A332 VanDerWaalsContact O-N 3.09Å; A332-L337 PolarHBondContact O-N 2.7Å; A332-L343 HydrophobicContact CB-CD1 3.88Å
333	I	95.3	Very high	95.3	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-76.5	-20.4	179.2	69.2	169.8	0	0	0	113.3	Y329 K338 L343 Y344 F347 K366	Y329-I333 WeakPolarHBondContact O-CG1 3.41Å; Y329-I333 PolarHBondContact O-N 3.2Å; Y329-I333 VanDerWaalsContact O-N 3.11Å; I333-K338 WeakPolarHBondContact O-CA 3.41Å; I333-K338 WeakPolarHBondContact O-CG 3.47Å; I333-L343 HydrophobicContact CG2-CB 3.99Å; I333-Y344 HydrophobicContact CB-CD2 4.08Å; I333-Y344 HydrophobicContact CB-CE1 4.47Å; I333-Y344 HydrophobicContact CB-CE2 3.55Å; I333-Y344 HydrophobicContact CD1-CD1 4.03Å; I333-Y344 HydrophobicContact CD1-CE1 3.73Å; I333-Y344 HydrophobicContact CD1-CE2 4.34Å; I333-Y344 HydrophobicContact CG2-CD2 3.51Å; I333-Y344 HydrophobicContact CG2-CE2 3.52Å; I333-Y344 HydrophobicContact CG2-CG 4.12Å; I333-F347 HydrophobicContact CD1-CD1 3.79Å; I333-F347 HydrophobicContact CD1-CE1 4.07Å; I333-K366 HydrophobicContact CD1-CD 4.3Å
334	G	91.8	Very high	95.4	Very high	37 Å²	37	39.3 Å²	39.3	38%	0.381	20%	0.201	S	C	.	.	H	α-helix	trans	-84.7	-25.9	178.3	0	0	0	0	0	114.2	E330 R331 K338	E330-G334 WeakPolarHBondContact O-CA 3.23Å; E330-G334 PolarHBondContact O-N 2.63Å; R331-G334 PolarHBondContact O-N 3.3Å; G334-K338 WeakPolarHBondContact O-CE 3.43Å
335	T	89.6	Confident	95.5	Very high	54 Å²	54	37.2 Å²	37.2	33%	0.331	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-79.8	-171.9	60.3	0	0	0	0	112.9	R331 K338	R331-T335 WeakPolarHBondContact O-CB 3.2Å; R331-T335 WeakPolarHBondContact O-CG2 3.38Å; R331-T335 PolarHBondContact O-N 2.67Å; R331-T335 PolarHBondContact O-OG1 2.82Å; T335-K338 WeakPolarHBondContact O-CE 3.31Å
336	L	91.3	Very high	95.5	Very high	28 Å²	28	37.8 Å²	37.8	15%	0.147	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-41	-169.9	-65.8	174.5	0	0	0	113.3	P63 G289 W295	P63-L336 HydrophobicContact CG-CD2 3.56Å; G289-L336 VanDerWaalsContact C-CD1 3.47Å; G289-L336 VanDerWaalsContact O-CD1 3.28Å; G289-L336 WeakPolarHBondContact O-CD1 3.17Å; W295-L336 HydrophobicContact CZ2-CD1 4.4Å
337	L	94.1	Very high	95.5	Very high	18 Å²	18	37.4 Å²	37.4	9%	0.094	19%	0.192	C	C	.	.			trans	-109.9	43.1	-165	-68.8	176.2	0	0	0	113	H290 P292 A332 K339 N340 L343	H290-L337 HydrophobicContact CB-CD2 4.42Å; P292-L337 HydrophobicContact CB-CD1 4.29Å; P292-L337 HydrophobicContact CG-CD1 4.19Å; A332-L337 PolarHBondContact O-N 2.7Å; L337-K339 PolarHBondContact O-N 3.21Å; L337-N340 HydrophobicContact CB-CB 3.92Å; L337-N340 HydrophobicContact CD2-CB 4.49Å; L337-N340 WeakPolarHBondContact O-CB 3.12Å; L337-N340 PolarHBondContact O-N 3.32Å; L337-L343 HydrophobicContact CB-CD1 3.95Å; L337-L343 HydrophobicContact CD1-CD1 3.45Å; L337-L343 VanDerWaalsContact CD1-CD1 3.45Å; L337-L343 HydrophobicContact CG-CD1 4.35Å
338	K	94	Very high	95.6	Very high	119 Å²	119	34.2 Å²	34.2	52%	0.517	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-25	-173.5	-56.7	-176.3	-176.8	175.9	0	115.7	I333 G334 T335 Y344 I370	I333-K338 WeakPolarHBondContact O-CA 3.41Å; I333-K338 WeakPolarHBondContact O-CG 3.47Å; G334-K338 WeakPolarHBondContact O-CE 3.43Å; T335-K338 WeakPolarHBondContact O-CE 3.31Å; K338-Y344 WeakPolarHBondContact O-CE2 3.5Å; K338-Y344 PolarHBondContact O-OH 3.01Å; K338-I370 WeakPolarHBondContact O-CD1 3.36Å
339	K	94	Very high	95.6	Very high	112 Å²	112	37.7 Å²	37.7	49%	0.487	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	2.1	-179.1	-57.7	-178.2	-174.2	173.1	0	113.5	L337 M341 I370 D372 I373	L337-K339 PolarHBondContact O-N 3.21Å; K339-M341 PolarHBondContact O-N 3.42Å; K339-I370 HydrophobicContact CG-CG2 4.39Å; K339-D372 WeakPolarHBondContact CE-OD1 3.22Å; K339-D372 WeakPolarHBondContact CE-OD2 3.49Å; K339-D372 VanDerWaalsContact NZ-CG 3.26Å; K339-D372 IonicContact NZ-OD1 3.59Å; K339-D372 PolarHBondContact NZ-OD1 3.33Å; K339-D372 VanDerWaalsContact NZ-OD1 3.17Å; K339-D372 IonicContact NZ-OD2 3.25Å; K339-D372 PolarHBondContact NZ-OD2 3.07Å; K339-I373 HydrophobicContact CB-CG2 4.48Å
340	N	95.8	Very high	95.6	Very high	41 Å²	41	38 Å²	38	22%	0.219	19%	0.194	C	C	.	.			trans	-81.1	100.6	-172.5	-174.1	-76	0	0	0	111.1	P292 L337 L342 L343 Y344	P292-N340 VanDerWaalsContact CG-ND2 3.28Å; P292-N340 WeakPolarHBondContact CG-ND2 3.27Å; L337-N340 HydrophobicContact CB-CB 3.92Å; L337-N340 HydrophobicContact CD2-CB 4.49Å; L337-N340 WeakPolarHBondContact O-CB 3.12Å; L337-N340 PolarHBondContact O-N 3.32Å; N340-L342 VanDerWaalsContact C-N 3.26Å; N340-L342 PolarHBondContact O-N 2.98Å; N340-L342 WeakPolarHBondContact OD1-CB 3.35Å; N340-L342 PolarHBondContact OD1-N 2.91Å; N340-L343 PolarHBondContact O-N 3.13Å; N340-L343 PolarHBondContact OD1-N 3.21Å; N340-Y344 WeakPolarHBondContact O-CD2 3.26Å
341	M	96.3	Very high	95.7	Very high	44 Å²	44	35.6 Å²	35.6	22%	0.217	18%	0.183	C	C	.	.	H	α-helix	trans	-57.7	-34.5	-176.1	-60	-177.1	-174.8	0	0	113.8	K339 L343 Y344 F345 L367 I373 D374 L377 V378	K339-M341 PolarHBondContact O-N 3.42Å; M341-L343 PolarHBondContact O-N 3.46Å; M341-Y344 PolarHBondContact O-N 2.96Å; M341-F345 HydrophobicContact CB-CD2 4.43Å; M341-F345 HydrophobicContact CB-CE2 3.78Å; M341-F345 HydrophobicContact CB-CZ 3.85Å; M341-F345 VanDerWaalsContact O-CD2 3.31Å; M341-F345 WeakPolarHBondContact O-CD2 3.43Å; M341-F345 WeakPolarHBondContact O-CG 3.41Å; M341-F345 PolarHBondContact O-N 3.23Å; M341-L367 HydrophobicContact CG-CD2 4.31Å; M341-I373 HydrophobicContact CE-CB 4.15Å; M341-D374 HydrophobicContact CE-CB 4.49Å; M341-D374 WeakPolarHBondContact CE-O 3.32Å; M341-L377 HydrophobicContact SD-CB 4.33Å; M341-L377 HydrophobicContact SD-CD2 4.21Å; M341-V378 HydrophobicContact CE-CG2 4.34Å; M341-V378 HydrophobicContact CG-CG2 4.45Å; M341-V378 HydrophobicContact SD-CG2 4.15Å
342	L	97.3	Very high	95.8	Very high	103 Å²	103	34.1 Å²	34.1	54%	0.539	18%	0.179	S	C	.	.	H	α-helix	trans	-59.2	-45.5	-178	176.2	64.9	0	0	0	111.7	P292 N340 F345 A346	P292-L342 HydrophobicContact CB-CD2 4.46Å; N340-L342 VanDerWaalsContact C-N 3.26Å; N340-L342 PolarHBondContact O-N 2.98Å; N340-L342 WeakPolarHBondContact OD1-CB 3.35Å; N340-L342 PolarHBondContact OD1-N 2.91Å; L342-F345 PolarHBondContact O-N 3.34Å; L342-A346 WeakPolarHBondContact O-CB 3.48Å; L342-A346 PolarHBondContact O-N 3.47Å
343	L	97.5	Very high	95.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-71.3	-30.8	179.4	-70	173.2	0	0	0	113.1	P292 W295 Y329 A332 I333 L337 N340 M341 F347	P292-L343 HydrophobicContact CB-CD1 4.12Å; P292-L343 HydrophobicContact CB-CG 4.2Å; W295-L343 HydrophobicContact CB-CD1 4.24Å; W295-L343 HydrophobicContact CB-CD2 3.94Å; W295-L343 HydrophobicContact CG-CD1 4.44Å; Y329-L343 HydrophobicContact CD1-CD2 4.46Å; Y329-L343 HydrophobicContact CE1-CD2 4.43Å; A332-L343 HydrophobicContact CB-CD1 3.88Å; I333-L343 HydrophobicContact CG2-CB 3.99Å; L337-L343 HydrophobicContact CB-CD1 3.95Å; L337-L343 HydrophobicContact CD1-CD1 3.45Å; L337-L343 VanDerWaalsContact CD1-CD1 3.45Å; L337-L343 HydrophobicContact CG-CD1 4.35Å; N340-L343 PolarHBondContact O-N 3.13Å; N340-L343 PolarHBondContact OD1-N 3.21Å; M341-L343 PolarHBondContact O-N 3.46Å; L343-F347 VanDerWaalsContact O-CB 3.27Å; L343-F347 WeakPolarHBondContact O-CB 3.45Å; L343-F347 PolarHBondContact O-N 3.08Å
344	Y	97.9	Very high	95.7	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.02	21%	0.212	C	C	.	.	H	α-helix	trans	-67	-40.8	170.9	-83.6	-99.6	0	0	0	112	I333 K338 N340 M341 F347 A348 I363 K366 L367	I333-Y344 HydrophobicContact CB-CD2 4.08Å; I333-Y344 HydrophobicContact CB-CE1 4.47Å; I333-Y344 HydrophobicContact CB-CE2 3.55Å; I333-Y344 HydrophobicContact CD1-CD1 4.03Å; I333-Y344 HydrophobicContact CD1-CE1 3.73Å; I333-Y344 HydrophobicContact CD1-CE2 4.34Å; I333-Y344 HydrophobicContact CG2-CD2 3.51Å; I333-Y344 HydrophobicContact CG2-CE2 3.52Å; I333-Y344 HydrophobicContact CG2-CG 4.12Å; K338-Y344 WeakPolarHBondContact O-CE2 3.5Å; K338-Y344 PolarHBondContact O-OH 3.01Å; N340-Y344 WeakPolarHBondContact O-CD2 3.26Å; M341-Y344 PolarHBondContact O-N 2.96Å; Y344-F347 PolarHBondContact O-N 3.32Å; Y344-A348 VanDerWaalsContact O-CB 3.27Å; Y344-A348 WeakPolarHBondContact O-CB 3.24Å; Y344-A348 PolarHBondContact O-N 2.92Å; Y344-I363 HydrophobicContact CD1-CG2 3.89Å; Y344-K366 HydrophobicContact CE1-CB 4.38Å; Y344-K366 HydrophobicContact CE1-CD 4.32Å; Y344-K366 HydrophobicContact CE1-CG 4.26Å; Y344-L367 HydrophobicContact CD1-CB 3.62Å; Y344-L367 HydrophobicContact CD1-CD1 4.4Å; Y344-L367 HydrophobicContact CD1-CD2 4.16Å; Y344-L367 HydrophobicContact CD1-CG 4.27Å; Y344-L367 HydrophobicContact CD2-CD1 4.05Å; Y344-L367 HydrophobicContact CD2-CD2 4.3Å; Y344-L367 HydrophobicContact CE1-CB 3.69Å; Y344-L367 HydrophobicContact CE1-CD1 4.31Å; Y344-L367 HydrophobicContact CE1-CG 4.46Å; Y344-L367 HydrophobicContact CE2-CD1 3.99Å; Y344-L367 HydrophobicContact CG-CB 4.16Å; Y344-L367 HydrophobicContact CG-CD1 4.24Å; Y344-L367 HydrophobicContact CG-CD2 3.84Å; Y344-L367 HydrophobicContact CG-CG 4.31Å
345	F	97.9	Very high	95.9	Very high	23 Å²	23	44.7 Å²	44.7	10%	0.101	23%	0.226	C	C	.	.	H	α-helix	trans	-67.4	-46	176.5	-57.8	-27.4	0	0	0	111.3	M341 L342 F347 A348 D349 Y364 L367 L377 V378 Q381	M341-F345 HydrophobicContact CB-CD2 4.43Å; M341-F345 HydrophobicContact CB-CE2 3.78Å; M341-F345 HydrophobicContact CB-CZ 3.85Å; M341-F345 VanDerWaalsContact O-CD2 3.31Å; M341-F345 WeakPolarHBondContact O-CD2 3.43Å; M341-F345 WeakPolarHBondContact O-CG 3.41Å; M341-F345 PolarHBondContact O-N 3.23Å; L342-F345 PolarHBondContact O-N 3.34Å; F345-F347 VanDerWaalsContact C-N 3.3Å; F345-F347 PolarHBondContact O-N 2.94Å; F345-A348 PolarHBondContact O-N 3.39Å; F345-D349 PolarHBondContact O-N 2.73Å; F345-Y364 AromaticContact CD1-CE1 3.85Å; F345-Y364 HydrophobicContact CD1-CE1 3.85Å; F345-Y364 HydrophobicContact CE1-CE1 4.03Å; F345-L367 HydrophobicContact CE1-CD2 4.44Å; F345-L377 HydrophobicContact CE2-CD2 3.9Å; F345-L377 HydrophobicContact CE2-CG 3.92Å; F345-L377 HydrophobicContact CZ-CD2 4.31Å; F345-L377 HydrophobicContact CZ-CG 3.94Å; F345-V378 HydrophobicContact CE1-CG1 4.5Å; F345-V378 HydrophobicContact CE1-CG2 4.38Å; F345-V378 HydrophobicContact CZ-CG2 4.31Å; F345-Q381 HydrophobicContact CD1-CB 4.11Å; F345-Q381 HydrophobicContact CD1-CG 4.14Å; F345-Q381 HydrophobicContact CD2-CG 4.2Å; F345-Q381 HydrophobicContact CE1-CB 3.99Å; F345-Q381 HydrophobicContact CE1-CG 3.95Å; F345-Q381 HydrophobicContact CE2-CG 3.99Å; F345-Q381 HydrophobicContact CG-CG 4.28Å; F345-Q381 HydrophobicContact CZ-CB 4.39Å; F345-Q381 HydrophobicContact CZ-CG 3.87Å
346	A	98.1	Very high	96.2	Very high	12 Å²	12	46 Å²	46	10%	0.099	23%	0.227	C	C	.	.	H	α-helix	trans	-57.8	-40.8	174.4	0	0	0	0	0	112.5	Y296 Y329 L342 Y350	Y296-A346 HydrophobicContact CD2-CB 3.66Å; Y296-A346 HydrophobicContact CE2-CB 3.68Å; Y329-A346 HydrophobicContact CD1-CB 4.48Å; Y329-A346 HydrophobicContact CE1-CB 3.66Å; L342-A346 WeakPolarHBondContact O-CB 3.48Å; L342-A346 PolarHBondContact O-N 3.47Å; A346-Y350 VanDerWaalsContact O-CB 3.25Å; A346-Y350 WeakPolarHBondContact O-CB 3.44Å; A346-Y350 PolarHBondContact O-N 3.4Å
347	F	98.2	Very high	96.5	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.009	24%	0.237	C	C	.	.	H	α-helix	trans	-69.4	-39.4	176.2	-172.1	-157.1	0	0	0	112.9	A326 Y329 E330 I333 L343 Y344 F345 Y350 E351 I363	A326-F347 HydrophobicContact CB-CE2 3.97Å; Y329-F347 VanDerWaalsContact CB-CD2 3.49Å; Y329-F347 HydrophobicContact CD1-CB 4.22Å; Y329-F347 HydrophobicContact CD2-CB 4.32Å; Y329-F347 AromaticContact CD2-CD2 3.92Å; Y329-F347 HydrophobicContact CD2-CD2 3.92Å; Y329-F347 HydrophobicContact CD2-CG 4.44Å; Y329-F347 HydrophobicContact CG-CB 3.86Å; Y329-F347 AromaticContact CG-CD2 3.98Å; Y329-F347 HydrophobicContact CG-CD2 3.98Å; Y329-F347 HydrophobicContact CG-CG 4.08Å; E330-F347 HydrophobicContact CB-CE1 4.16Å; E330-F347 HydrophobicContact CB-CZ 4.1Å; E330-F347 WeakPolarHBondContact OE2-CE1 3.46Å; I333-F347 HydrophobicContact CD1-CD1 3.79Å; I333-F347 HydrophobicContact CD1-CE1 4.07Å; L343-F347 VanDerWaalsContact O-CB 3.27Å; L343-F347 WeakPolarHBondContact O-CB 3.45Å; L343-F347 PolarHBondContact O-N 3.08Å; Y344-F347 PolarHBondContact O-N 3.32Å; F345-F347 VanDerWaalsContact C-N 3.3Å; F345-F347 PolarHBondContact O-N 2.94Å; F347-Y350 PolarHBondContact O-N 2.93Å; F347-E351 HydrophobicContact CD2-CG 3.91Å; F347-E351 HydrophobicContact CE2-CG 3.59Å; F347-E351 HydrophobicContact CZ-CG 4.39Å; F347-E351 PolarHBondContact O-N 3.06Å; F347-I363 HydrophobicContact CB-CD1 4.47Å; F347-I363 HydrophobicContact CD1-CD1 3.47Å; F347-I363 VanDerWaalsContact CD1-CD1 3.47Å; F347-I363 HydrophobicContact CD1-CG1 3.68Å; F347-I363 HydrophobicContact CD1-CG2 4.01Å; F347-I363 HydrophobicContact CD2-CD1 3.96Å; F347-I363 HydrophobicContact CE1-CD1 3.57Å; F347-I363 HydrophobicContact CE1-CG1 3.66Å; F347-I363 HydrophobicContact CE2-CD1 4.02Å; F347-I363 HydrophobicContact CG-CD1 3.69Å; F347-I363 HydrophobicContact CG-CG1 4.37Å; F347-I363 HydrophobicContact CZ-CD1 3.85Å; F347-I363 HydrophobicContact CZ-CG1 4.33Å
348	A	97.8	Very high	96.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.1	-49.6	176	0	0	0	0	0	111.6	Y344 F345 Y350 E351 E352 V360 I363 Y364	Y344-A348 VanDerWaalsContact O-CB 3.27Å; Y344-A348 WeakPolarHBondContact O-CB 3.24Å; Y344-A348 PolarHBondContact O-N 2.92Å; F345-A348 PolarHBondContact O-N 3.39Å; A348-Y350 VanDerWaalsContact C-N 3.29Å; A348-Y350 PolarHBondContact O-N 2.97Å; A348-E351 PolarHBondContact O-N 3.42Å; A348-E352 WeakPolarHBondContact O-CB 3.45Å; A348-E352 PolarHBondContact O-N 3.48Å; A348-V360 HydrophobicContact CB-CG1 3.92Å; A348-V360 WeakPolarHBondContact O-CG2 3.31Å; A348-I363 HydrophobicContact CB-CG2 4.26Å; A348-Y364 HydrophobicContact CB-CD2 4.28Å; A348-Y364 HydrophobicContact CB-CE1 4.39Å; A348-Y364 HydrophobicContact CB-CE2 3.61Å
349	D	97.6	Very high	96.8	Very high	73 Å²	73	52.8 Å²	52.8	39%	0.39	26%	0.256	S	S	.	.	H	α-helix	trans	-64.2	-34.2	175.6	-71.7	-39.9	0	0	0	111	F345 E352 S353 R388	F345-D349 PolarHBondContact O-N 2.73Å; D349-E352 PolarHBondContact O-N 2.99Å; D349-S353 PolarHBondContact O-N 3.21Å; D349-R388 IonicContact OD1-NH2 3.31Å; D349-R388 PolarHBondContact OD1-NH2 3.5Å
350	Y	97.6	Very high	96.9	Very high	10 Å²	10	47.4 Å²	47.4	4%	0.039	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-49	174	-173.9	-108.5	0	0	0	112.5	E303 S322 A325 A326 Y329 A346 F347 A348 E352 S353 R354	E303-Y350 HydrophobicContact CB-CE2 3.91Å; E303-Y350 HydrophobicContact CG-CE2 3.81Å; E303-Y350 WeakPolarHBondContact OE2-CD2 3.37Å; E303-Y350 WeakPolarHBondContact OE2-CE2 3.49Å; S322-Y350 WeakPolarHBondContact CA-OH 3.44Å; S322-Y350 PolarHBondContact O-OH 2.68Å; S322-Y350 VanDerWaalsContact O-OH 3.08Å; S322-Y350 PolarHBondContact OG-OH 3.11Å; A325-Y350 HydrophobicContact CB-CE1 3.86Å; A325-Y350 HydrophobicContact CB-CE2 4.28Å; A325-Y350 WeakPolarHBondContact CB-OH 3.45Å; A326-Y350 HydrophobicContact CB-CD1 4.3Å; A326-Y350 HydrophobicContact CB-CE1 4.02Å; Y329-Y350 HydrophobicContact CD2-CD1 4.19Å; Y329-Y350 HydrophobicContact CD2-CG 4.25Å; Y329-Y350 HydrophobicContact CE2-CD1 4.2Å; Y329-Y350 HydrophobicContact CE2-CD2 4.34Å; Y329-Y350 AromaticContact CE2-CG 3.84Å; Y329-Y350 HydrophobicContact CE2-CG 3.84Å; A346-Y350 VanDerWaalsContact O-CB 3.25Å; A346-Y350 WeakPolarHBondContact O-CB 3.44Å; A346-Y350 PolarHBondContact O-N 3.4Å; F347-Y350 PolarHBondContact O-N 2.93Å; A348-Y350 VanDerWaalsContact C-N 3.29Å; A348-Y350 PolarHBondContact O-N 2.97Å; Y350-E352 VanDerWaalsContact C-N 3.35Å; Y350-S353 PolarHBondContact O-N 3.29Å; Y350-S353 PolarHBondContact O-OG 3.45Å; Y350-R354 WeakPolarHBondContact O-CG 3.3Å; Y350-R354 PolarHBondContact O-N 3.5Å
351	E	97.4	Very high	97	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-73.6	-25.1	178.5	-65.2	-74.7	-150.4	0	0	112.6	F347 A348 R354 M355 K356 K359 V360 I363	F347-E351 HydrophobicContact CD2-CG 3.91Å; F347-E351 HydrophobicContact CE2-CG 3.59Å; F347-E351 HydrophobicContact CZ-CG 4.39Å; F347-E351 PolarHBondContact O-N 3.06Å; A348-E351 PolarHBondContact O-N 3.42Å; E351-R354 PolarHBondContact O-N 3.38Å; E351-R354 IonicContact OE1-NH1 3.2Å; E351-R354 PolarHBondContact OE1-NH1 3.11Å; E351-R354 WeakPolarHBondContact OE2-CD 3.29Å; E351-R354 IonicContact OE2-CZ 3.53Å; E351-R354 IonicContact OE2-NE 3.37Å; E351-R354 IonicContact OE2-NH1 2.72Å; E351-R354 PolarHBondContact OE2-NH1 3.39Å; E351-M355 PolarHBondContact O-N 3.03Å; E351-K356 HydrophobicContact CB-CB 4.4Å; E351-K356 PolarHBondContact O-N 3.34Å; E351-K356 WeakPolarHBondContact OE2-CD 3.22Å; E351-K356 IonicContact OE2-NZ 2.75Å; E351-K359 HydrophobicContact CB-CG 4.27Å; E351-K359 HydrophobicContact CG-CG 3.89Å; E351-V360 HydrophobicContact CB-CG2 3.88Å; E351-I363 HydrophobicContact CB-CD1 4.34Å; E351-I363 HydrophobicContact CG-CD1 4Å
352	E	96.8	Very high	97.1	Very high	26 Å²	26	46.7 Å²	46.7	12%	0.121	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-44.8	166.6	-175.2	-179.6	171.4	0	0	111.4	A348 D349 Y350 R354 M355 Y357 V360 F385 R388	A348-E352 WeakPolarHBondContact O-CB 3.45Å; A348-E352 PolarHBondContact O-N 3.48Å; D349-E352 PolarHBondContact O-N 2.99Å; Y350-E352 VanDerWaalsContact C-N 3.35Å; E352-R354 PolarHBondContact O-N 3.44Å; E352-R354 VanDerWaalsContact O-N 3.13Å; E352-M355 WeakPolarHBondContact O-CA 3.43Å; E352-M355 PolarHBondContact O-N 3.37Å; E352-Y357 HydrophobicContact CG-CD1 4.33Å; E352-Y357 HydrophobicContact CG-CE1 4.03Å; E352-V360 HydrophobicContact CB-CG2 4.15Å; E352-F385 HydrophobicContact CB-CD2 4.48Å; E352-F385 HydrophobicContact CB-CE2 4.38Å; E352-F385 HydrophobicContact CG-CD2 4.13Å; E352-F385 HydrophobicContact CG-CE2 4.07Å; E352-F385 VanDerWaalsContact OE2-CD2 3.31Å; E352-F385 WeakPolarHBondContact OE2-CD2 3.16Å; E352-R388 IonicContact OE1-CZ 2.86Å; E352-R388 IonicContact OE1-NE 2.71Å; E352-R388 PolarHBondContact OE1-NE 3.16Å; E352-R388 IonicContact OE1-NH2 3.76Å; E352-R388 PolarHBondContact OE1-NH2 3.01Å; E352-R388 IonicContact OE2-CZ 3.79Å; E352-R388 IonicContact OE2-NE 3.84Å; E352-R388 IonicContact OE2-NH2 2.78Å; E352-R388 PolarHBondContact OE2-NH2 3.27Å
353	S	95.4	Very high	97.1	Very high	76 Å²	76	41.8 Å²	41.8	53%	0.531	21%	0.207	S	C	.	.	H	α-helix	trans	-60.3	-24.1	176.8	83.4	0	0	0	0	113.2	D349 Y350	D349-S353 PolarHBondContact O-N 3.21Å; Y350-S353 PolarHBondContact O-N 3.29Å; Y350-S353 PolarHBondContact O-OG 3.45Å
354	R	94.3	Very high	97.1	Very high	44 Å²	44	42 Å²	42	17%	0.166	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	6.6	176.3	-60.3	170.9	78.9	-156.2	17.8	113.2	S322 D323 Y350 E351 E352 K356	S322-R354 PolarHBondContact O-NH2 3.25Å; S322-R354 VanDerWaalsContact OG-CZ 3.26Å; S322-R354 PolarHBondContact OG-NE 2.9Å; S322-R354 PolarHBondContact OG-NH2 2.92Å; D323-R354 IonicContact OD1-CZ 3.56Å; D323-R354 IonicContact OD1-NH1 2.71Å; D323-R354 IonicContact OD1-NH2 3.19Å; D323-R354 PolarHBondContact OD1-NH2 3.36Å; Y350-R354 WeakPolarHBondContact O-CG 3.3Å; Y350-R354 PolarHBondContact O-N 3.5Å; E351-R354 PolarHBondContact O-N 3.38Å; E351-R354 IonicContact OE1-NH1 3.2Å; E351-R354 PolarHBondContact OE1-NH1 3.11Å; E351-R354 WeakPolarHBondContact OE2-CD 3.29Å; E351-R354 IonicContact OE2-CZ 3.53Å; E351-R354 IonicContact OE2-NE 3.37Å; E351-R354 IonicContact OE2-NH1 2.72Å; E351-R354 PolarHBondContact OE2-NH1 3.39Å; E352-R354 PolarHBondContact O-N 3.44Å; E352-R354 VanDerWaalsContact O-N 3.13Å; R354-K356 HydrophobicContact CB-CG 4.21Å; R354-K356 VanDerWaalsContact CZ-NZ 3.26Å; R354-K356 PolarHBondContact O-N 3.47Å
355	M	95.6	Very high	97.1	Very high	140 Å²	140	45 Å²	45	69%	0.69	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	23.7	-177.3	-57.6	175.3	-80.6	0	0	114.2	E351 E352 Y357	E351-M355 PolarHBondContact O-N 3.03Å; E352-M355 WeakPolarHBondContact O-CA 3.43Å; E352-M355 PolarHBondContact O-N 3.37Å; M355-Y357 VanDerWaalsContact C-N 3.31Å; M355-Y357 HydrophobicContact CB-CE2 4.45Å; M355-Y357 PolarHBondContact O-N 3.26Å
356	K	96.1	Very high	97	Very high	81 Å²	81	47.6 Å²	47.6	35%	0.352	24%	0.235	S	C	.	.			trans	-91.5	55.3	179.2	-60.6	-166.4	-167.3	169.4	0	111.6	D323 E351 R354 E358 K359 V360	D323-K356 IonicContact OD1-NZ 2.85Å; D323-K356 PolarHBondContact OD1-NZ 3.47Å; E351-K356 HydrophobicContact CB-CB 4.4Å; E351-K356 PolarHBondContact O-N 3.34Å; E351-K356 WeakPolarHBondContact OE2-CD 3.22Å; E351-K356 IonicContact OE2-NZ 2.75Å; R354-K356 HydrophobicContact CB-CG 4.21Å; R354-K356 VanDerWaalsContact CZ-NZ 3.26Å; R354-K356 PolarHBondContact O-N 3.47Å; K356-E358 VanDerWaalsContact C-N 3.32Å; K356-E358 PolarHBondContact O-N 2.97Å; K356-E358 VanDerWaalsContact O-N 3.17Å; K356-K359 HydrophobicContact CB-CB 4.14Å; K356-K359 WeakPolarHBondContact O-CA 3.31Å; K356-K359 VanDerWaalsContact O-CB 3.32Å; K356-K359 WeakPolarHBondContact O-CB 3.18Å; K356-K359 PolarHBondContact O-N 3.49Å; K356-V360 PolarHBondContact O-N 2.82Å
357	Y	96.9	Very high	96.9	Very high	87 Å²	87	47 Å²	47	34%	0.341	23%	0.231	S	C	.	.	H	α-helix	trans	-54	-39.7	-170.4	-51.7	-46.9	0	0	0	114.5	E352 M355 K359 V360 H361 F385 A389	E352-Y357 HydrophobicContact CG-CD1 4.33Å; E352-Y357 HydrophobicContact CG-CE1 4.03Å; M355-Y357 VanDerWaalsContact C-N 3.31Å; M355-Y357 HydrophobicContact CB-CE2 4.45Å; M355-Y357 PolarHBondContact O-N 3.26Å; Y357-K359 VanDerWaalsContact C-N 3.3Å; Y357-K359 PolarHBondContact O-N 3.35Å; Y357-V360 WeakPolarHBondContact O-CA 3.39Å; Y357-V360 VanDerWaalsContact O-CB 3.27Å; Y357-V360 WeakPolarHBondContact O-CB 3.45Å; Y357-V360 PolarHBondContact O-N 2.96Å; Y357-H361 PolarHBondContact O-CD2 3.32Å; Y357-H361 PolarHBondContact O-N 2.76Å; Y357-H361 VanDerWaalsContact O-N 3.1Å; Y357-F385 HydrophobicContact CD1-CE2 4.02Å; Y357-F385 HydrophobicContact CD1-CZ 4.39Å; Y357-A389 HydrophobicContact CD1-CB 4.01Å; Y357-A389 HydrophobicContact CE1-CB 3.96Å
358	E	97.1	Very high	96.7	Very high	153 Å²	153	47.8 Å²	47.8	72%	0.715	24%	0.235	S	C	*	.	H	α-helix	trans	-59.5	-38.3	175.6	-172.8	57.5	-143.8	0	0	112.7	K356 V360 H361 S362	K356-E358 VanDerWaalsContact C-N 3.32Å; K356-E358 PolarHBondContact O-N 2.97Å; K356-E358 VanDerWaalsContact O-N 3.17Å; E358-V360 VanDerWaalsContact C-N 3.3Å; E358-V360 PolarHBondContact O-N 2.89Å; E358-H361 PolarHBondContact O-N 3.26Å; E358-S362 PolarHBondContact O-N 3.04Å; E358-S362 VanDerWaalsContact O-N 3.14Å
359	K	96.6	Very high	96.7	Very high	68 Å²	68	51.6 Å²	51.6	30%	0.296	27%	0.266	S	S	.	.	H	α-helix	trans	-64.7	-37.6	174.5	-180	66.6	-177.1	174.9	0	110.4	E330 E351 K356 Y357 S362 I363	E330-K359 IonicContact OE2-NZ 2.82Å; E330-K359 PolarHBondContact OE2-NZ 2.98Å; E351-K359 HydrophobicContact CB-CG 4.27Å; E351-K359 HydrophobicContact CG-CG 3.89Å; K356-K359 HydrophobicContact CB-CB 4.14Å; K356-K359 WeakPolarHBondContact O-CA 3.31Å; K356-K359 VanDerWaalsContact O-CB 3.32Å; K356-K359 WeakPolarHBondContact O-CB 3.18Å; K356-K359 PolarHBondContact O-N 3.49Å; Y357-K359 VanDerWaalsContact C-N 3.3Å; Y357-K359 PolarHBondContact O-N 3.35Å; K359-S362 WeakPolarHBondContact O-CB 3.31Å; K359-S362 PolarHBondContact O-N 2.74Å; K359-S362 VanDerWaalsContact O-N 3.13Å; K359-S362 PolarHBondContact O-OG 3.29Å; K359-I363 HydrophobicContact CG-CD1 4.06Å; K359-I363 WeakPolarHBondContact O-CG1 3.38Å; K359-I363 PolarHBondContact O-N 2.95Å
360	V	98	Very high	96.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-43.9	176	-175	0	0	0	0	111.7	A348 E351 E352 K356 Y357 E358 S362 I363 Y364 F385	A348-V360 HydrophobicContact CB-CG1 3.92Å; A348-V360 WeakPolarHBondContact O-CG2 3.31Å; E351-V360 HydrophobicContact CB-CG2 3.88Å; E352-V360 HydrophobicContact CB-CG2 4.15Å; K356-V360 PolarHBondContact O-N 2.82Å; Y357-V360 WeakPolarHBondContact O-CA 3.39Å; Y357-V360 VanDerWaalsContact O-CB 3.27Å; Y357-V360 WeakPolarHBondContact O-CB 3.45Å; Y357-V360 PolarHBondContact O-N 2.96Å; E358-V360 VanDerWaalsContact C-N 3.3Å; E358-V360 PolarHBondContact O-N 2.89Å; V360-S362 VanDerWaalsContact C-N 3.32Å; V360-S362 PolarHBondContact O-N 3.33Å; V360-I363 PolarHBondContact O-N 3.27Å; V360-Y364 HydrophobicContact CG1-CD2 3.74Å; V360-Y364 HydrophobicContact CG1-CE2 3.55Å; V360-Y364 WeakPolarHBondContact O-CD2 3.12Å; V360-Y364 PolarHBondContact O-N 2.83Å; V360-F385 HydrophobicContact CB-CE1 4.02Å; V360-F385 HydrophobicContact CB-CE2 3.91Å; V360-F385 HydrophobicContact CB-CZ 3.61Å; V360-F385 HydrophobicContact CG1-CD1 3.83Å; V360-F385 HydrophobicContact CG1-CD2 3.78Å; V360-F385 HydrophobicContact CG1-CE1 3.67Å; V360-F385 HydrophobicContact CG1-CE2 3.64Å; V360-F385 HydrophobicContact CG1-CG 3.87Å; V360-F385 HydrophobicContact CG1-CZ 3.58Å; V360-F385 HydrophobicContact CG2-CE2 4.18Å; V360-F385 HydrophobicContact CG2-CZ 4.28Å
361	H	97.6	Very high	96.1	Very high	20 Å²	20	57.3 Å²	57.3	9%	0.093	29%	0.292	C	S	.	.	H	α-helix	trans	-57.5	-44.5	171.6	-70.8	-78.9	0	0	0	111.8	Y357 E358 I363 Y364 N365 Y382 F385 E390	Y357-H361 PolarHBondContact O-CD2 3.32Å; Y357-H361 PolarHBondContact O-N 2.76Å; Y357-H361 VanDerWaalsContact O-N 3.1Å; E358-H361 PolarHBondContact O-N 3.26Å; H361-I363 VanDerWaalsContact C-N 3.3Å; H361-I363 PolarHBondContact O-N 3.43Å; H361-Y364 PolarHBondContact O-N 3.31Å; H361-N365 VanDerWaalsContact O-CB 3.31Å; H361-N365 WeakPolarHBondContact O-CB 3.3Å; H361-N365 PolarHBondContact O-N 2.9Å; H361-N365 PolarHBondContact O-ND2 3.32Å; H361-Y382 AromaticContact CE1-CE2 3.98Å; H361-Y382 AromaticContact ND1-CE2 3.37Å; H361-Y382 WeakPolarHBondContact ND1-CE2 3.37Å; H361-Y382 AromaticContact ND1-CZ 3.61Å; H361-Y382 PolarHBondContact ND1-OH 3.44Å; H361-F385 AromaticContact CE1-CE1 3.73Å; H361-F385 AromaticContact NE2-CE1 3.58Å; H361-E390 IonicContact CE1-OE2 2.73Å; H361-E390 PolarHBondContact CE1-OE2 2.73Å; H361-E390 VanDerWaalsContact NE2-CD 3.35Å; H361-E390 IonicContact NE2-OE1 3.29Å; H361-E390 PolarHBondContact NE2-OE1 3.47Å; H361-E390 IonicContact NE2-OE2 3.81Å; H361-E390 PolarHBondContact NE2-OE2 3.18Å
362	S	97.6	Very high	95.7	Very high	49 Å²	49	61.8 Å²	61.8	34%	0.343	32%	0.316	S	S	.	.	H	α-helix	trans	-61.4	-37.1	177.6	83.6	0	0	0	0	112.8	E358 K359 V360 K366	E358-S362 PolarHBondContact O-N 3.04Å; E358-S362 VanDerWaalsContact O-N 3.14Å; K359-S362 WeakPolarHBondContact O-CB 3.31Å; K359-S362 PolarHBondContact O-N 2.74Å; K359-S362 VanDerWaalsContact O-N 3.13Å; K359-S362 PolarHBondContact O-OG 3.29Å; V360-S362 VanDerWaalsContact C-N 3.32Å; V360-S362 PolarHBondContact O-N 3.33Å; S362-K366 WeakPolarHBondContact O-CB 3.4Å; S362-K366 PolarHBondContact O-N 3.01Å
363	I	97.4	Very high	95.5	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-67.3	-49.2	178.9	-67.1	160.8	0	0	0	110.6	Y344 F347 A348 E351 K359 V360 H361 K366 L367	Y344-I363 HydrophobicContact CD1-CG2 3.89Å; F347-I363 HydrophobicContact CB-CD1 4.47Å; F347-I363 HydrophobicContact CD1-CD1 3.47Å; F347-I363 VanDerWaalsContact CD1-CD1 3.47Å; F347-I363 HydrophobicContact CD1-CG1 3.68Å; F347-I363 HydrophobicContact CD1-CG2 4.01Å; F347-I363 HydrophobicContact CD2-CD1 3.96Å; F347-I363 HydrophobicContact CE1-CD1 3.57Å; F347-I363 HydrophobicContact CE1-CG1 3.66Å; F347-I363 HydrophobicContact CE2-CD1 4.02Å; F347-I363 HydrophobicContact CG-CD1 3.69Å; F347-I363 HydrophobicContact CG-CG1 4.37Å; F347-I363 HydrophobicContact CZ-CD1 3.85Å; F347-I363 HydrophobicContact CZ-CG1 4.33Å; A348-I363 HydrophobicContact CB-CG2 4.26Å; E351-I363 HydrophobicContact CB-CD1 4.34Å; E351-I363 HydrophobicContact CG-CD1 4Å; K359-I363 HydrophobicContact CG-CD1 4.06Å; K359-I363 WeakPolarHBondContact O-CG1 3.38Å; K359-I363 PolarHBondContact O-N 2.95Å; V360-I363 PolarHBondContact O-N 3.27Å; H361-I363 VanDerWaalsContact C-N 3.3Å; H361-I363 PolarHBondContact O-N 3.43Å; I363-K366 PolarHBondContact O-N 2.94Å; I363-L367 PolarHBondContact O-N 3.22Å
364	Y	97.8	Very high	95.4	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.016	30%	0.302	C	S	.	.	H	α-helix	trans	-63.6	-44.1	176.8	-78.4	-64.8	0	0	0	112.2	F345 A348 V360 H361 K366 L367 L368 V378 Q381 Y382 F385	F345-Y364 AromaticContact CD1-CE1 3.85Å; F345-Y364 HydrophobicContact CD1-CE1 3.85Å; F345-Y364 HydrophobicContact CE1-CE1 4.03Å; A348-Y364 HydrophobicContact CB-CD2 4.28Å; A348-Y364 HydrophobicContact CB-CE1 4.39Å; A348-Y364 HydrophobicContact CB-CE2 3.61Å; V360-Y364 HydrophobicContact CG1-CD2 3.74Å; V360-Y364 HydrophobicContact CG1-CE2 3.55Å; V360-Y364 WeakPolarHBondContact O-CD2 3.12Å; V360-Y364 PolarHBondContact O-N 2.83Å; H361-Y364 PolarHBondContact O-N 3.31Å; Y364-K366 VanDerWaalsContact C-N 3.32Å; Y364-K366 PolarHBondContact O-N 3.1Å; Y364-L367 PolarHBondContact O-N 3.33Å; Y364-L368 WeakPolarHBondContact O-CG 3.48Å; Y364-L368 PolarHBondContact O-N 3.47Å; Y364-V378 HydrophobicContact CD1-CG1 4Å; Y364-Q381 HydrophobicContact CE1-CB 4.08Å; Y364-Y382 HydrophobicContact CD1-CD2 4.45Å; Y364-Y382 HydrophobicContact CD1-CG 4.16Å; Y364-Y382 AromaticContact CD2-CD2 3.4Å; Y364-Y382 HydrophobicContact CD2-CD2 3.4Å; Y364-Y382 VanDerWaalsContact CD2-CD2 3.4Å; Y364-Y382 AromaticContact CD2-CE2 3.96Å; Y364-Y382 HydrophobicContact CD2-CE2 3.96Å; Y364-Y382 AromaticContact CD2-CG 3.94Å; Y364-Y382 HydrophobicContact CD2-CG 3.94Å; Y364-Y382 HydrophobicContact CE2-CD2 4.08Å; Y364-Y382 HydrophobicContact CG-CD1 4.32Å; Y364-Y382 AromaticContact CG-CD2 3.64Å; Y364-Y382 HydrophobicContact CG-CD2 3.64Å; Y364-Y382 HydrophobicContact CG-CE2 4.23Å; Y364-Y382 AromaticContact CG-CG 3.69Å; Y364-Y382 HydrophobicContact CG-CG 3.69Å; Y364-F385 HydrophobicContact CD2-CD1 4.33Å; Y364-F385 HydrophobicContact CE2-CB 4Å; Y364-F385 HydrophobicContact CE2-CD1 4.11Å; Y364-F385 HydrophobicContact CE2-CG 4.11Å
365	N	96.6	Very high	95.5	Very high	68 Å²	68	58 Å²	58	36%	0.364	29%	0.294	S	S	.	.	H	α-helix	trans	-64.4	-36.3	177.6	-64.2	-28.8	0	0	0	111.6	H361 L367 L368 A369 Y382	H361-N365 VanDerWaalsContact O-CB 3.31Å; H361-N365 WeakPolarHBondContact O-CB 3.3Å; H361-N365 PolarHBondContact O-N 2.9Å; H361-N365 PolarHBondContact O-ND2 3.32Å; N365-L367 VanDerWaalsContact C-N 3.29Å; N365-L367 PolarHBondContact O-N 2.77Å; N365-L368 PolarHBondContact O-N 2.6Å; N365-A369 WeakPolarHBondContact O-CB 3.37Å; N365-A369 PolarHBondContact O-N 3.17Å; N365-Y382 PolarHBondContact OD1-OH 3.07Å
366	K	96.5	Very high	95.5	Very high	77 Å²	77	51.4 Å²	51.4	34%	0.335	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-33.4	174.5	-176.8	-174.1	-177.5	-165.8	0	112.4	E330 I333 Y344 S362 I363 Y364	E330-K366 IonicContact OE1-NZ 2.68Å; E330-K366 PolarHBondContact OE1-NZ 3.12Å; I333-K366 HydrophobicContact CD1-CD 4.3Å; Y344-K366 HydrophobicContact CE1-CB 4.38Å; Y344-K366 HydrophobicContact CE1-CD 4.32Å; Y344-K366 HydrophobicContact CE1-CG 4.26Å; S362-K366 WeakPolarHBondContact O-CB 3.4Å; S362-K366 PolarHBondContact O-N 3.01Å; I363-K366 PolarHBondContact O-N 2.94Å; Y364-K366 VanDerWaalsContact C-N 3.32Å; Y364-K366 PolarHBondContact O-N 3.1Å
367	L	95.8	Very high	95.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-74.7	-46.6	173.4	-174.7	52.9	0	0	0	111.6	M341 Y344 F345 I363 Y364 N365 A369 I370 I373 V378	M341-L367 HydrophobicContact CG-CD2 4.31Å; Y344-L367 HydrophobicContact CD1-CB 3.62Å; Y344-L367 HydrophobicContact CD1-CD1 4.4Å; Y344-L367 HydrophobicContact CD1-CD2 4.16Å; Y344-L367 HydrophobicContact CD1-CG 4.27Å; Y344-L367 HydrophobicContact CD2-CD1 4.05Å; Y344-L367 HydrophobicContact CD2-CD2 4.3Å; Y344-L367 HydrophobicContact CE1-CB 3.69Å; Y344-L367 HydrophobicContact CE1-CD1 4.31Å; Y344-L367 HydrophobicContact CE1-CG 4.46Å; Y344-L367 HydrophobicContact CE2-CD1 3.99Å; Y344-L367 HydrophobicContact CG-CB 4.16Å; Y344-L367 HydrophobicContact CG-CD1 4.24Å; Y344-L367 HydrophobicContact CG-CD2 3.84Å; Y344-L367 HydrophobicContact CG-CG 4.31Å; F345-L367 HydrophobicContact CE1-CD2 4.44Å; I363-L367 PolarHBondContact O-N 3.22Å; Y364-L367 PolarHBondContact O-N 3.33Å; N365-L367 VanDerWaalsContact C-N 3.29Å; N365-L367 PolarHBondContact O-N 2.77Å; L367-A369 PolarHBondContact O-N 3.14Å; L367-I370 HydrophobicContact CD1-CD1 4.12Å; L367-I370 WeakPolarHBondContact O-CB 3.45Å; L367-I370 PolarHBondContact O-N 3.31Å; L367-I373 HydrophobicContact CD1-CD1 3.83Å; L367-I373 HydrophobicContact CG-CD1 3.79Å; L367-I373 WeakPolarHBondContact O-CD1 3.32Å; L367-V378 HydrophobicContact CB-CG1 4.34Å; L367-V378 HydrophobicContact CD2-CB 4.31Å; L367-V378 HydrophobicContact CD2-CG1 3.79Å; L367-V378 HydrophobicContact CD2-CG2 3.49Å; L367-V378 VanDerWaalsContact CD2-CG2 3.49Å; L367-V378 HydrophobicContact CG-CG1 4.12Å; L367-V378 HydrophobicContact CG-CG2 3.95Å
368	L	95.4	Very high	95.6	Very high	18 Å²	18	47 Å²	47	9%	0.094	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-26.4	-180	-69.2	172.1	0	0	0	113.7	Y364 N365 I370 P375 V378 Y379 Y382 R407	Y364-L368 WeakPolarHBondContact O-CG 3.48Å; Y364-L368 PolarHBondContact O-N 3.47Å; N365-L368 PolarHBondContact O-N 2.6Å; L368-I370 PolarHBondContact O-N 3.09Å; L368-P375 HydrophobicContact CD2-CB 3.57Å; L368-V378 HydrophobicContact CD2-CB 3.97Å; L368-V378 HydrophobicContact CD2-CG1 3.73Å; L368-V378 HydrophobicContact CG-CG1 3.92Å; L368-Y379 HydrophobicContact CD1-CD1 4.12Å; L368-Y379 HydrophobicContact CD1-CE1 3.52Å; L368-Y379 HydrophobicContact CD2-CD1 4.29Å; L368-Y379 HydrophobicContact CD2-CD2 4.1Å; L368-Y379 HydrophobicContact CD2-CE1 3.96Å; L368-Y379 HydrophobicContact CD2-CE2 3.75Å; L368-Y379 HydrophobicContact CD2-CG 4.34Å; L368-Y379 HydrophobicContact CG-CE1 4.41Å; L368-Y382 HydrophobicContact CD1-CD1 3.97Å; L368-Y382 HydrophobicContact CD1-CE1 4.08Å; L368-R407 PolarHBondContact O-NH2 3.42Å
369	A	96	Very high	95.7	Very high	80 Å²	80	40.6 Å²	40.6	66%	0.661	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-10.7	174.8	0	0	0	0	0	114.4	N365 L367	N365-A369 WeakPolarHBondContact O-CB 3.37Å; N365-A369 PolarHBondContact O-N 3.17Å; L367-A369 PolarHBondContact O-N 3.14Å
370	I	94.3	Very high	95.7	Very high	34 Å²	34	38.3 Å²	38.3	17%	0.174	21%	0.207	C	C	.	.			trans	-78.5	127.8	171.2	-55.7	-177.4	0	0	0	107.7	K338 K339 L367 L368 D372 I373 R407	K338-I370 WeakPolarHBondContact O-CD1 3.36Å; K339-I370 HydrophobicContact CG-CG2 4.39Å; L367-I370 HydrophobicContact CD1-CD1 4.12Å; L367-I370 WeakPolarHBondContact O-CB 3.45Å; L367-I370 PolarHBondContact O-N 3.31Å; L368-I370 PolarHBondContact O-N 3.09Å; I370-D372 WeakPolarHBondContact CG2-OD1 3.35Å; I370-I373 HydrophobicContact CB-CG2 4.28Å; I370-I373 HydrophobicContact CG2-CG2 3.94Å; I370-R407 PolarHBondContact O-NH1 3.06Å
371	E	89.3	Confident	95.7	Very high	169 Å²	169	41.3 Å²	41.3	79%	0.79	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-42.7	-174.3	-64.7	-173.6	165.4	0	0	112.6	I373 R407	E371-I373 PolarHBondContact O-N 2.87Å; E371-R407 PolarHBondContact O-NH1 2.88Å
372	D	88.9	Confident	95.7	Very high	103 Å²	103	40.4 Å²	40.4	55%	0.551	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	44.5	-167.2	72.9	-29.5	0	0	0	114.5	K339 I370	K339-D372 WeakPolarHBondContact CE-OD1 3.22Å; K339-D372 WeakPolarHBondContact CE-OD2 3.49Å; K339-D372 VanDerWaalsContact NZ-CG 3.26Å; K339-D372 IonicContact NZ-OD1 3.59Å; K339-D372 PolarHBondContact NZ-OD1 3.33Å; K339-D372 VanDerWaalsContact NZ-OD1 3.17Å; K339-D372 IonicContact NZ-OD2 3.25Å; K339-D372 PolarHBondContact NZ-OD2 3.07Å; I370-D372 WeakPolarHBondContact CG2-OD1 3.35Å
373	I	93.1	Very high	95.7	Very high	21 Å²	21	38.3 Å²	38.3	11%	0.108	20%	0.202	C	C	.	.	S	Bend	trans	-120	161	169.5	62.7	163.7	0	0	0	110.8	K339 M341 L367 I370 E371 P375 V378	K339-I373 HydrophobicContact CB-CG2 4.48Å; M341-I373 HydrophobicContact CE-CB 4.15Å; L367-I373 HydrophobicContact CD1-CD1 3.83Å; L367-I373 HydrophobicContact CG-CD1 3.79Å; L367-I373 WeakPolarHBondContact O-CD1 3.32Å; I370-I373 HydrophobicContact CB-CG2 4.28Å; I370-I373 HydrophobicContact CG2-CG2 3.94Å; E371-I373 PolarHBondContact O-N 2.87Å; I373-P375 VanDerWaalsContact O-CD 3.23Å; I373-P375 WeakPolarHBondContact O-CD 3.32Å; I373-V378 HydrophobicContact CD1-CG2 4.21Å
374	D	93.4	Very high	95.7	Very high	45 Å²	45	42 Å²	42	24%	0.241	22%	0.218	C	C	.	.			trans	-83	105.2	160.4	175	12.8	0	0	0	109.4	M341 T376 R409	M341-D374 HydrophobicContact CE-CB 4.49Å; M341-D374 WeakPolarHBondContact CE-O 3.32Å; D374-T376 PolarHBondContact O-N 2.98Å; D374-T376 WeakPolarHBondContact OD1-CB 3.29Å; D374-T376 PolarHBondContact OD1-N 3.19Å; D374-T376 PolarHBondContact OD1-OG1 2.81Å; D374-R409 IonicContact OD1-NE 3.34Å; D374-R409 IonicContact OD2-CZ 2.68Å; D374-R409 IonicContact OD2-NE 2.73Å; D374-R409 PolarHBondContact OD2-NE 3.42Å; D374-R409 IonicContact OD2-NH2 3.19Å; D374-R409 PolarHBondContact OD2-NH2 2.89Å
375	P	95.9	Very high	95.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-75.2	-5	-178.5	35.1	-37.8	0	0	0	112.5	L368 I373 L377 V378 Y379 R407	L368-P375 HydrophobicContact CD2-CB 3.57Å; I373-P375 VanDerWaalsContact O-CD 3.23Å; I373-P375 WeakPolarHBondContact O-CD 3.32Å; P375-L377 PolarHBondContact O-N 3.4Å; P375-V378 CarbonylContact O-C 3.55Å; P375-V378 WeakPolarHBondContact O-CA 3.42Å; P375-V378 WeakPolarHBondContact O-CB 3.02Å; P375-V378 PolarHBondContact O-N 3.06Å; P375-V378 VanDerWaalsContact O-N 3.09Å; P375-Y379 HydrophobicContact CB-CD2 3.85Å; P375-Y379 HydrophobicContact CB-CE2 3.73Å; P375-Y379 HydrophobicContact CG-CD2 4.34Å; P375-Y379 HydrophobicContact CG-CE2 4.13Å; P375-Y379 VanDerWaalsContact O-CD2 3.3Å; P375-Y379 WeakPolarHBondContact O-CD2 3.41Å; P375-Y379 PolarHBondContact O-N 2.74Å; P375-R407 HydrophobicContact CG-CB 3.7Å
376	T	96.1	Very high	95.7	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-58	-48.4	-174.7	-48.9	0	0	0	0	112.1	D374 V378 Y379 I380 T408 R409 H411 V412	D374-T376 PolarHBondContact O-N 2.98Å; D374-T376 WeakPolarHBondContact OD1-CB 3.29Å; D374-T376 PolarHBondContact OD1-N 3.19Å; D374-T376 PolarHBondContact OD1-OG1 2.81Å; T376-V378 VanDerWaalsContact C-N 3.31Å; T376-V378 PolarHBondContact O-N 3.22Å; T376-Y379 PolarHBondContact O-N 3.32Å; T376-I380 HydrophobicContact CG2-CD1 4.24Å; T376-I380 VanDerWaalsContact O-CG1 3.26Å; T376-I380 WeakPolarHBondContact O-CG1 3.25Å; T376-I380 PolarHBondContact O-N 3.41Å; T376-T408 HydrophobicContact CG2-CG2 4.36Å; T376-R409 HydrophobicContact CG2-CB 4.07Å; T376-R409 WeakPolarHBondContact CG2-O 3.44Å; T376-R409 WeakPolarHBondContact OG1-CB 3.35Å; T376-R409 PolarHBondContact OG1-N 3.48Å; T376-H411 HydrophobicContact CG2-CB 3.81Å; T376-V412 HydrophobicContact CG2-CB 4.32Å
377	L	97.1	Very high	95.7	Very high	75 Å²	75	38.6 Å²	38.6	39%	0.393	20%	0.198	S	C	.	.	H	α-helix	trans	-67.3	-36.3	177.8	-176.7	59.2	0	0	0	111.2	M341 F345 P375 I380 Q381	M341-L377 HydrophobicContact SD-CB 4.33Å; M341-L377 HydrophobicContact SD-CD2 4.21Å; F345-L377 HydrophobicContact CE2-CD2 3.9Å; F345-L377 HydrophobicContact CE2-CG 3.92Å; F345-L377 HydrophobicContact CZ-CD2 4.31Å; F345-L377 HydrophobicContact CZ-CG 3.94Å; P375-L377 PolarHBondContact O-N 3.4Å; L377-I380 PolarHBondContact O-N 2.54Å; L377-Q381 HydrophobicContact CD1-CG 4.5Å; L377-Q381 WeakPolarHBondContact O-CG 3.26Å; L377-Q381 PolarHBondContact O-N 2.91Å
378	V	97.4	Very high	95.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-47.7	177.3	-172.2	0	0	0	0	110.8	M341 F345 Y364 L367 L368 I373 P375 T376 I380 Q381 Y382	M341-V378 HydrophobicContact CE-CG2 4.34Å; M341-V378 HydrophobicContact CG-CG2 4.45Å; M341-V378 HydrophobicContact SD-CG2 4.15Å; F345-V378 HydrophobicContact CE1-CG1 4.5Å; F345-V378 HydrophobicContact CE1-CG2 4.38Å; F345-V378 HydrophobicContact CZ-CG2 4.31Å; Y364-V378 HydrophobicContact CD1-CG1 4Å; L367-V378 HydrophobicContact CB-CG1 4.34Å; L367-V378 HydrophobicContact CD2-CB 4.31Å; L367-V378 HydrophobicContact CD2-CG1 3.79Å; L367-V378 HydrophobicContact CD2-CG2 3.49Å; L367-V378 VanDerWaalsContact CD2-CG2 3.49Å; L367-V378 HydrophobicContact CG-CG1 4.12Å; L367-V378 HydrophobicContact CG-CG2 3.95Å; L368-V378 HydrophobicContact CD2-CB 3.97Å; L368-V378 HydrophobicContact CD2-CG1 3.73Å; L368-V378 HydrophobicContact CG-CG1 3.92Å; I373-V378 HydrophobicContact CD1-CG2 4.21Å; P375-V378 CarbonylContact O-C 3.55Å; P375-V378 WeakPolarHBondContact O-CA 3.42Å; P375-V378 WeakPolarHBondContact O-CB 3.02Å; P375-V378 PolarHBondContact O-N 3.06Å; P375-V378 VanDerWaalsContact O-N 3.09Å; T376-V378 VanDerWaalsContact C-N 3.31Å; T376-V378 PolarHBondContact O-N 3.22Å; V378-I380 VanDerWaalsContact C-N 3.33Å; V378-I380 PolarHBondContact O-N 3.38Å; V378-Q381 PolarHBondContact O-N 3.43Å; V378-Y382 WeakPolarHBondContact O-CB 3.32Å; V378-Y382 PolarHBondContact O-N 2.8Å
379	Y	98	Very high	95.7	Very high	18 Å²	18	45.3 Å²	45.3	7%	0.071	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-35.7	174.8	-78.5	-58.1	0	0	0	112.8	L368 P375 T376 M383 I398 K401 A402 D405	L368-Y379 HydrophobicContact CD1-CD1 4.12Å; L368-Y379 HydrophobicContact CD1-CE1 3.52Å; L368-Y379 HydrophobicContact CD2-CD1 4.29Å; L368-Y379 HydrophobicContact CD2-CD2 4.1Å; L368-Y379 HydrophobicContact CD2-CE1 3.96Å; L368-Y379 HydrophobicContact CD2-CE2 3.75Å; L368-Y379 HydrophobicContact CD2-CG 4.34Å; L368-Y379 HydrophobicContact CG-CE1 4.41Å; P375-Y379 HydrophobicContact CB-CD2 3.85Å; P375-Y379 HydrophobicContact CB-CE2 3.73Å; P375-Y379 HydrophobicContact CG-CD2 4.34Å; P375-Y379 HydrophobicContact CG-CE2 4.13Å; P375-Y379 VanDerWaalsContact O-CD2 3.3Å; P375-Y379 WeakPolarHBondContact O-CD2 3.41Å; P375-Y379 PolarHBondContact O-N 2.74Å; T376-Y379 PolarHBondContact O-N 3.32Å; Y379-M383 WeakPolarHBondContact O-CB 3.35Å; Y379-M383 PolarHBondContact O-N 3.09Å; Y379-I398 HydrophobicContact CD1-CG2 4.18Å; Y379-K401 HydrophobicContact CE1-CB 4.19Å; Y379-A402 HydrophobicContact CD1-CB 3.67Å; Y379-A402 HydrophobicContact CD2-CB 3.79Å; Y379-A402 HydrophobicContact CE1-CB 4.19Å; Y379-A402 HydrophobicContact CE2-CB 4.29Å; Y379-A402 HydrophobicContact CG-CB 3.46Å; Y379-A402 VanDerWaalsContact CG-CB 3.46Å; Y379-D405 HydrophobicContact CE2-CB 3.79Å
380	I	97.8	Very high	95.6	Very high	20 Å²	20	45.8 Å²	45.8	10%	0.103	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-49.2	174.5	-73.1	166.6	0	0	0	110.9	T376 L377 V378 K384 H411 V412	T376-I380 HydrophobicContact CG2-CD1 4.24Å; T376-I380 VanDerWaalsContact O-CG1 3.26Å; T376-I380 WeakPolarHBondContact O-CG1 3.25Å; T376-I380 PolarHBondContact O-N 3.41Å; L377-I380 PolarHBondContact O-N 2.54Å; V378-I380 VanDerWaalsContact C-N 3.33Å; V378-I380 PolarHBondContact O-N 3.38Å; I380-K384 HydrophobicContact CG2-CD 4.01Å; I380-K384 VanDerWaalsContact CG2-CE 3.4Å; I380-K384 WeakPolarHBondContact O-CD 3.29Å; I380-K384 VanDerWaalsContact O-CG 3.27Å; I380-K384 WeakPolarHBondContact O-CG 3.27Å; I380-K384 PolarHBondContact O-N 3Å; I380-H411 HydrophobicContact CD1-CB 3.77Å; I380-V412 HydrophobicContact CG1-CB 4.25Å; I380-V412 HydrophobicContact CG1-CG2 4.17Å
381	Q	98.1	Very high	95.6	Very high	63 Å²	63	45.5 Å²	45.5	29%	0.294	22%	0.223	S	C	.	.	H	α-helix	trans	-69.8	-41.3	179.1	-58.7	-59.2	7.6	0	0	112.1	F345 Y364 L377 V378 M383 K384 F385	F345-Q381 HydrophobicContact CD1-CB 4.11Å; F345-Q381 HydrophobicContact CD1-CG 4.14Å; F345-Q381 HydrophobicContact CD2-CG 4.2Å; F345-Q381 HydrophobicContact CE1-CB 3.99Å; F345-Q381 HydrophobicContact CE1-CG 3.95Å; F345-Q381 HydrophobicContact CE2-CG 3.99Å; F345-Q381 HydrophobicContact CG-CG 4.28Å; F345-Q381 HydrophobicContact CZ-CB 4.39Å; F345-Q381 HydrophobicContact CZ-CG 3.87Å; Y364-Q381 HydrophobicContact CE1-CB 4.08Å; L377-Q381 HydrophobicContact CD1-CG 4.5Å; L377-Q381 WeakPolarHBondContact O-CG 3.26Å; L377-Q381 PolarHBondContact O-N 2.91Å; V378-Q381 PolarHBondContact O-N 3.43Å; Q381-M383 VanDerWaalsContact C-N 3.33Å; Q381-M383 PolarHBondContact O-N 3.39Å; Q381-K384 WeakPolarHBondContact O-CB 3.39Å; Q381-K384 PolarHBondContact O-N 3.34Å; Q381-K384 VanDerWaalsContact O-N 3.13Å; Q381-F385 PolarHBondContact O-N 2.9Å
382	Y	98.1	Very high	95.9	Very high	2 Å²	2	41 Å²	41	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-39.6	176.8	-172.1	-164.8	0	0	0	112.4	H361 Y364 N365 L368 V378 F385 A386 I398	H361-Y382 AromaticContact CE1-CE2 3.98Å; H361-Y382 AromaticContact ND1-CE2 3.37Å; H361-Y382 WeakPolarHBondContact ND1-CE2 3.37Å; H361-Y382 AromaticContact ND1-CZ 3.61Å; H361-Y382 PolarHBondContact ND1-OH 3.44Å; Y364-Y382 HydrophobicContact CD1-CD2 4.45Å; Y364-Y382 HydrophobicContact CD1-CG 4.16Å; Y364-Y382 AromaticContact CD2-CD2 3.4Å; Y364-Y382 HydrophobicContact CD2-CD2 3.4Å; Y364-Y382 VanDerWaalsContact CD2-CD2 3.4Å; Y364-Y382 AromaticContact CD2-CE2 3.96Å; Y364-Y382 HydrophobicContact CD2-CE2 3.96Å; Y364-Y382 AromaticContact CD2-CG 3.94Å; Y364-Y382 HydrophobicContact CD2-CG 3.94Å; Y364-Y382 HydrophobicContact CE2-CD2 4.08Å; Y364-Y382 HydrophobicContact CG-CD1 4.32Å; Y364-Y382 AromaticContact CG-CD2 3.64Å; Y364-Y382 HydrophobicContact CG-CD2 3.64Å; Y364-Y382 HydrophobicContact CG-CE2 4.23Å; Y364-Y382 AromaticContact CG-CG 3.69Å; Y364-Y382 HydrophobicContact CG-CG 3.69Å; N365-Y382 PolarHBondContact OD1-OH 3.07Å; L368-Y382 HydrophobicContact CD1-CD1 3.97Å; L368-Y382 HydrophobicContact CD1-CE1 4.08Å; V378-Y382 WeakPolarHBondContact O-CB 3.32Å; V378-Y382 PolarHBondContact O-N 2.8Å; Y382-F385 AromaticContact CD2-CD1 3.94Å; Y382-F385 HydrophobicContact CD2-CD1 3.94Å; Y382-F385 HydrophobicContact CE2-CD1 4.17Å; Y382-F385 HydrophobicContact CE2-CE1 4.41Å; Y382-F385 PolarHBondContact O-N 2.92Å; Y382-A386 WeakPolarHBondContact O-CB 3.41Å; Y382-A386 PolarHBondContact O-N 2.96Å; Y382-I398 HydrophobicContact CD1-CD1 4.19Å; Y382-I398 HydrophobicContact CD1-CG1 4.47Å; Y382-I398 HydrophobicContact CD1-CG2 3.6Å; Y382-I398 HydrophobicContact CD2-CD1 4.4Å; Y382-I398 HydrophobicContact CD2-CG1 4.38Å; Y382-I398 HydrophobicContact CE1-CD1 3.73Å; Y382-I398 HydrophobicContact CE1-CG1 4.47Å; Y382-I398 HydrophobicContact CE1-CG2 4.22Å; Y382-I398 HydrophobicContact CE2-CD1 3.92Å; Y382-I398 HydrophobicContact CE2-CG1 4.34Å; Y382-I398 HydrophobicContact CG-CG1 4.44Å; Y382-I398 HydrophobicContact CG-CG2 3.79Å
383	M	97.3	Very high	96.2	Very high	4 Å²	4	45 Å²	45	2%	0.02	22%	0.216	C	C	.	.	H	α-helix	trans	-68.2	-37.7	174.1	-179.2	177.4	62.8	0	0	112	Y379 Q381 R387 I398 F399 V412 A416 M419	Y379-M383 WeakPolarHBondContact O-CB 3.35Å; Y379-M383 PolarHBondContact O-N 3.09Å; Q381-M383 VanDerWaalsContact C-N 3.33Å; Q381-M383 PolarHBondContact O-N 3.39Å; M383-R387 WeakPolarHBondContact O-CB 3.33Å; M383-R387 PolarHBondContact O-N 3.18Å; M383-I398 HydrophobicContact CB-CB 4.37Å; M383-I398 HydrophobicContact CB-CG2 4.09Å; M383-F399 HydrophobicContact SD-CB 3.86Å; M383-F399 HydrophobicContact SD-CD2 4.27Å; M383-F399 HydrophobicContact SD-CG 4.37Å; M383-V412 HydrophobicContact CE-CG2 4.36Å; M383-A416 HydrophobicContact CE-CB 3.86Å; M383-A416 HydrophobicContact SD-CB 3.82Å; M383-M419 HydrophobicContact CE-CE 3.94Å; M383-M419 HydrophobicContact CG-CE 3.91Å; M383-M419 HydrophobicContact CG-SD 4.1Å; M383-M419 HydrophobicContact SD-CE 4.5Å
384	K	96.7	Very high	96.3	Very high	79 Å²	79	45.2 Å²	45.2	34%	0.343	22%	0.219	S	C	.	.	H	α-helix	trans	-62.5	-46.8	173.7	-75.4	160.4	-179.2	-85.4	0	111	I380 Q381 R388 M419	I380-K384 HydrophobicContact CG2-CD 4.01Å; I380-K384 VanDerWaalsContact CG2-CE 3.4Å; I380-K384 WeakPolarHBondContact O-CD 3.29Å; I380-K384 VanDerWaalsContact O-CG 3.27Å; I380-K384 WeakPolarHBondContact O-CG 3.27Å; I380-K384 PolarHBondContact O-N 3Å; Q381-K384 WeakPolarHBondContact O-CB 3.39Å; Q381-K384 PolarHBondContact O-N 3.34Å; Q381-K384 VanDerWaalsContact O-N 3.13Å; K384-R388 WeakPolarHBondContact O-CB 2.99Å; K384-R388 PolarHBondContact O-N 2.99Å; K384-M419 HydrophobicContact CB-CE 4.21Å; K384-M419 HydrophobicContact CG-CE 3.55Å
385	F	97.7	Very high	96.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-55.7	-59.2	172	159.3	-107	0	0	0	111.4	E352 Y357 V360 H361 Y364 Q381 Y382 R387 R388 A389	E352-F385 HydrophobicContact CB-CD2 4.48Å; E352-F385 HydrophobicContact CB-CE2 4.38Å; E352-F385 HydrophobicContact CG-CD2 4.13Å; E352-F385 HydrophobicContact CG-CE2 4.07Å; E352-F385 VanDerWaalsContact OE2-CD2 3.31Å; E352-F385 WeakPolarHBondContact OE2-CD2 3.16Å; Y357-F385 HydrophobicContact CD1-CE2 4.02Å; Y357-F385 HydrophobicContact CD1-CZ 4.39Å; V360-F385 HydrophobicContact CB-CE1 4.02Å; V360-F385 HydrophobicContact CB-CE2 3.91Å; V360-F385 HydrophobicContact CB-CZ 3.61Å; V360-F385 HydrophobicContact CG1-CD1 3.83Å; V360-F385 HydrophobicContact CG1-CD2 3.78Å; V360-F385 HydrophobicContact CG1-CE1 3.67Å; V360-F385 HydrophobicContact CG1-CE2 3.64Å; V360-F385 HydrophobicContact CG1-CG 3.87Å; V360-F385 HydrophobicContact CG1-CZ 3.58Å; V360-F385 HydrophobicContact CG2-CE2 4.18Å; V360-F385 HydrophobicContact CG2-CZ 4.28Å; H361-F385 AromaticContact CE1-CE1 3.73Å; H361-F385 AromaticContact NE2-CE1 3.58Å; Y364-F385 HydrophobicContact CD2-CD1 4.33Å; Y364-F385 HydrophobicContact CE2-CB 4Å; Y364-F385 HydrophobicContact CE2-CD1 4.11Å; Y364-F385 HydrophobicContact CE2-CG 4.11Å; Q381-F385 PolarHBondContact O-N 2.9Å; Y382-F385 AromaticContact CD2-CD1 3.94Å; Y382-F385 HydrophobicContact CD2-CD1 3.94Å; Y382-F385 HydrophobicContact CE2-CD1 4.17Å; Y382-F385 HydrophobicContact CE2-CE1 4.41Å; Y382-F385 PolarHBondContact O-N 2.92Å; F385-R387 VanDerWaalsContact C-N 3.25Å; F385-R387 PolarHBondContact O-N 3.08Å; F385-R388 WeakPolarHBondContact O-CA 3.46Å; F385-R388 PolarHBondContact O-N 2.65Å; F385-A389 HydrophobicContact CD2-CB 4.08Å; F385-A389 HydrophobicContact CE2-CB 3.67Å; F385-A389 HydrophobicContact CZ-CB 4.33Å; F385-A389 PolarHBondContact O-N 3.18Å
386	A	97.1	Very high	96.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.8	-38	-174.8	0	0	0	0	0	112.2	Y382 E390 G391 I398	Y382-A386 WeakPolarHBondContact O-CB 3.41Å; Y382-A386 PolarHBondContact O-N 2.96Å; A386-E390 CarbonylContact O-C 3.52Å; A386-E390 WeakPolarHBondContact O-CA 3.41Å; A386-E390 WeakPolarHBondContact O-CB 3.48Å; A386-E390 PolarHBondContact O-N 3.37Å; A386-G391 PolarHBondContact O-N 3.21Å; A386-G391 VanDerWaalsContact O-N 3.14Å; A386-I398 HydrophobicContact CB-CG1 3.61Å
387	R	95.5	Very high	96.4	Very high	77 Å²	77	51.4 Å²	51.4	29%	0.291	25%	0.249	S	C	.	.	H	α-helix	trans	-72.3	-36	174.1	-168.2	-84.8	-56.1	145.5	-5.6	112.9	M383 F385 G391 M419 C423	M383-R387 WeakPolarHBondContact O-CB 3.33Å; M383-R387 PolarHBondContact O-N 3.18Å; F385-R387 VanDerWaalsContact C-N 3.25Å; F385-R387 PolarHBondContact O-N 3.08Å; R387-G391 WeakPolarHBondContact O-CA 3.48Å; R387-G391 PolarHBondContact O-N 2.65Å; R387-M419 HydrophobicContact CB-SD 3.5Å; R387-M419 WeakPolarHBondContact CB-SD 3.42Å; R387-M419 HydrophobicContact CG-CG 4.21Å; R387-M419 HydrophobicContact CG-SD 3.63Å; R387-C423 VanDerWaalsContact CZ-SG 3.51Å; R387-C423 PolarHBondContact NH2-SG 3.47Å; R387-C423 VanDerWaalsContact NH2-SG 3.43Å
388	R	96	Very high	96.4	Very high	128 Å²	128	48 Å²	48	48%	0.483	23%	0.232	S	C	.	.	H	α-helix	trans	-71.7	-44.8	-178.9	177.9	170.5	64.9	-154.6	1.1	112.5	D349 E352 K384 F385	D349-R388 IonicContact OD1-NH2 3.31Å; D349-R388 PolarHBondContact OD1-NH2 3.5Å; E352-R388 IonicContact OE1-CZ 2.86Å; E352-R388 IonicContact OE1-NE 2.71Å; E352-R388 PolarHBondContact OE1-NE 3.16Å; E352-R388 IonicContact OE1-NH2 3.76Å; E352-R388 PolarHBondContact OE1-NH2 3.01Å; E352-R388 IonicContact OE2-CZ 3.79Å; E352-R388 IonicContact OE2-NE 3.84Å; E352-R388 IonicContact OE2-NH2 2.78Å; E352-R388 PolarHBondContact OE2-NH2 3.27Å; K384-R388 WeakPolarHBondContact O-CB 2.99Å; K384-R388 PolarHBondContact O-N 2.99Å; F385-R388 WeakPolarHBondContact O-CA 3.46Å; F385-R388 PolarHBondContact O-N 2.65Å
389	A	95.7	Very high	96.4	Very high	32 Å²	32	48.7 Å²	48.7	26%	0.264	24%	0.235	S	C	.	.	H	α-helix	trans	-91.4	-37.3	-176.4	0	0	0	0	0	113.7	Y357 F385	Y357-A389 HydrophobicContact CD1-CB 4.01Å; Y357-A389 HydrophobicContact CE1-CB 3.96Å; F385-A389 HydrophobicContact CD2-CB 4.08Å; F385-A389 HydrophobicContact CE2-CB 3.67Å; F385-A389 HydrophobicContact CZ-CB 4.33Å; F385-A389 PolarHBondContact O-N 3.18Å
390	E	94.9	Very high	96.3	Very high	90 Å²	90	53.1 Å²	53.1	42%	0.421	25%	0.254	S	S	.	.	S	Bend	trans	-119.2	-3	-170.1	-44.2	-173.2	116.8	0	0	114.2	H361 A386 S394	H361-E390 IonicContact CE1-OE2 2.73Å; H361-E390 PolarHBondContact CE1-OE2 2.73Å; H361-E390 VanDerWaalsContact NE2-CD 3.35Å; H361-E390 IonicContact NE2-OE1 3.29Å; H361-E390 PolarHBondContact NE2-OE1 3.47Å; H361-E390 IonicContact NE2-OE2 3.81Å; H361-E390 PolarHBondContact NE2-OE2 3.18Å; A386-E390 CarbonylContact O-C 3.52Å; A386-E390 WeakPolarHBondContact O-CA 3.41Å; A386-E390 WeakPolarHBondContact O-CB 3.48Å; A386-E390 PolarHBondContact O-N 3.37Å; E390-S394 VanDerWaalsContact OE2-CB 3.22Å; E390-S394 WeakPolarHBondContact OE2-CB 3.5Å; E390-S394 PolarHBondContact OE2-OG 3.05Å
391	G	94.6	Very high	96.3	Very high	28 Å²	28	56.3 Å²	56.3	29%	0.289	27%	0.267	S	S	.	.			trans	84.3	-177.9	176.2	0	0	0	0	0	116.1	A386 R387 K393 S394 G395	A386-G391 PolarHBondContact O-N 3.21Å; A386-G391 VanDerWaalsContact O-N 3.14Å; R387-G391 WeakPolarHBondContact O-CA 3.48Å; R387-G391 PolarHBondContact O-N 2.65Å; G391-K393 VanDerWaalsContact C-N 3.33Å; G391-K393 PolarHBondContact O-N 2.87Å; G391-S394 PolarHBondContact O-N 3.47Å; G391-G395 PolarHBondContact O-N 2.87Å
392	I	94.3	Very high	96.2	Very high	73 Å²	73	53.3 Å²	53.3	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-59.7	-39.3	-164.1	-57.6	169.3	0	0	0	112.5	S394 G395 R396	I392-S394 PolarHBondContact O-N 3.27Å; I392-G395 PolarHBondContact O-N 3.18Å; I392-R396 HydrophobicContact CG2-CG 4.37Å; I392-R396 WeakPolarHBondContact O-CG 3.42Å; I392-R396 PolarHBondContact O-N 2.93Å
393	K	95.1	Very high	96.1	Very high	189 Å²	189	57.9 Å²	57.9	82%	0.822	27%	0.271	S	S	*	.	H	α-helix	trans	-63.7	-39.5	-178.1	-171.9	-179.4	177.9	-175	0	112.1	G391 S397	G391-K393 VanDerWaalsContact C-N 3.33Å; G391-K393 PolarHBondContact O-N 2.87Å; K393-S397 PolarHBondContact O-N 2.69Å; K393-S397 VanDerWaalsContact O-N 3.16Å
394	S	95.5	Very high	96	Very high	25 Å²	25	63.4 Å²	63.4	18%	0.175	30%	0.297	C	S	.	.	H	α-helix	trans	-70.1	-45.4	176.7	-166.6	0	0	0	0	111.1	E390 G391 I392 R396 S397 I398	E390-S394 VanDerWaalsContact OE2-CB 3.22Å; E390-S394 WeakPolarHBondContact OE2-CB 3.5Å; E390-S394 PolarHBondContact OE2-OG 3.05Å; G391-S394 PolarHBondContact O-N 3.47Å; I392-S394 PolarHBondContact O-N 3.27Å; S394-R396 VanDerWaalsContact C-N 3.3Å; S394-R396 PolarHBondContact O-N 2.98Å; S394-S397 WeakPolarHBondContact O-CA 3.43Å; S394-S397 WeakPolarHBondContact O-CB 3.49Å; S394-S397 PolarHBondContact O-N 3.27Å; S394-I398 PolarHBondContact O-N 3.36Å
395	G	95.2	Very high	95.9	Very high	5 Å²	5	60.8 Å²	60.8	5%	0.052	29%	0.286	C	S	.	.	H	α-helix	trans	-52.1	-45	173.1	0	0	0	0	0	113.4	G391 I392 S397 I398 F399	G391-G395 PolarHBondContact O-N 2.87Å; I392-G395 PolarHBondContact O-N 3.18Å; G395-S397 VanDerWaalsContact C-N 3.33Å; G395-S397 PolarHBondContact O-N 2.92Å; G395-I398 PolarHBondContact O-N 3.43Å; G395-F399 PolarHBondContact O-N 2.74Å
396	R	95.4	Very high	95.6	Very high	111 Å²	111	68.5 Å²	68.5	42%	0.419	33%	0.327	S	S	.	.	H	α-helix	trans	-65	-31.8	174.6	-70.6	179.3	-178.1	-179.1	2.6	113.3	I392 S394 K400 E420	I392-R396 HydrophobicContact CG2-CG 4.37Å; I392-R396 WeakPolarHBondContact O-CG 3.42Å; I392-R396 PolarHBondContact O-N 2.93Å; S394-R396 VanDerWaalsContact C-N 3.3Å; S394-R396 PolarHBondContact O-N 2.98Å; R396-K400 PolarHBondContact O-N 2.91Å; R396-E420 IonicContact CZ-OE1 2.96Å; R396-E420 IonicContact CZ-OE2 3.14Å; R396-E420 IonicContact NE-OE1 2.68Å; R396-E420 PolarHBondContact NE-OE1 3.37Å; R396-E420 IonicContact NE-OE2 3.75Å; R396-E420 VanDerWaalsContact NH2-CD 3.25Å; R396-E420 IonicContact NH2-OE1 2.7Å; R396-E420 PolarHBondContact NH2-OE1 3.26Å; R396-E420 VanDerWaalsContact NH2-OE1 3.14Å; R396-E420 IonicContact NH2-OE2 3.24Å; R396-E420 PolarHBondContact NH2-OE2 3.19Å
397	S	96.9	Very high	95.5	Very high	60 Å²	60	72.5 Å²	72.5	42%	0.42	34%	0.342	S	S	.	.	H	α-helix	trans	-66.1	-42.8	173.1	-168.6	0	0	0	0	111.7	K393 S394 G395 K400 K401	K393-S397 PolarHBondContact O-N 2.69Å; K393-S397 VanDerWaalsContact O-N 3.16Å; S394-S397 WeakPolarHBondContact O-CA 3.43Å; S394-S397 WeakPolarHBondContact O-CB 3.49Å; S394-S397 PolarHBondContact O-N 3.27Å; G395-S397 VanDerWaalsContact C-N 3.33Å; G395-S397 PolarHBondContact O-N 2.92Å; S397-K400 WeakPolarHBondContact O-CB 3.36Å; S397-K400 PolarHBondContact O-N 3.32Å; S397-K401 PolarHBondContact O-N 2.68Å
398	I	97.3	Very high	95.5	Very high	3 Å²	3	69.1 Å²	69.1	2%	0.015	33%	0.33	C	S	.	.	H	α-helix	trans	-66.2	-41.8	174.6	-54.6	-47.2	0	0	0	111.1	Y379 Y382 M383 A386 S394 G395 K400 K401 A402	Y379-I398 HydrophobicContact CD1-CG2 4.18Å; Y382-I398 HydrophobicContact CD1-CD1 4.19Å; Y382-I398 HydrophobicContact CD1-CG1 4.47Å; Y382-I398 HydrophobicContact CD1-CG2 3.6Å; Y382-I398 HydrophobicContact CD2-CD1 4.4Å; Y382-I398 HydrophobicContact CD2-CG1 4.38Å; Y382-I398 HydrophobicContact CE1-CD1 3.73Å; Y382-I398 HydrophobicContact CE1-CG1 4.47Å; Y382-I398 HydrophobicContact CE1-CG2 4.22Å; Y382-I398 HydrophobicContact CE2-CD1 3.92Å; Y382-I398 HydrophobicContact CE2-CG1 4.34Å; Y382-I398 HydrophobicContact CG-CG1 4.44Å; Y382-I398 HydrophobicContact CG-CG2 3.79Å; M383-I398 HydrophobicContact CB-CB 4.37Å; M383-I398 HydrophobicContact CB-CG2 4.09Å; A386-I398 HydrophobicContact CB-CG1 3.61Å; S394-I398 PolarHBondContact O-N 3.36Å; G395-I398 PolarHBondContact O-N 3.43Å; I398-K400 VanDerWaalsContact C-N 3.3Å; I398-K400 PolarHBondContact O-N 3.45Å; I398-K401 PolarHBondContact O-N 2.95Å; I398-A402 PolarHBondContact O-N 2.99Å
399	F	97.1	Very high	95.5	Very high	16 Å²	16	68.9 Å²	68.9	7%	0.07	33%	0.329	C	S	.	.	H	α-helix	trans	-60.3	-38.8	173.7	-177.8	-124.6	0	0	0	112.3	M383 G395 K401 A402 R403 V412 Y413 A416 I433	M383-F399 HydrophobicContact SD-CB 3.86Å; M383-F399 HydrophobicContact SD-CD2 4.27Å; M383-F399 HydrophobicContact SD-CG 4.37Å; G395-F399 PolarHBondContact O-N 2.74Å; F399-K401 PolarHBondContact O-N 2.93Å; F399-A402 PolarHBondContact O-N 2.85Å; F399-R403 HydrophobicContact CD2-CG 4.42Å; F399-R403 HydrophobicContact CE1-CG 4.41Å; F399-R403 HydrophobicContact CE2-CG 4.02Å; F399-R403 HydrophobicContact CZ-CG 4.01Å; F399-R403 WeakPolarHBondContact O-CG 3.47Å; F399-R403 PolarHBondContact O-N 2.68Å; F399-V412 HydrophobicContact CD2-CG2 4.35Å; F399-V412 HydrophobicContact CE2-CG1 4.4Å; F399-Y413 HydrophobicContact CE2-CD1 4.34Å; F399-Y413 HydrophobicContact CE2-CD2 4.46Å; F399-Y413 HydrophobicContact CE2-CG 4.27Å; F399-Y413 AromaticContact CZ-CD1 3.9Å; F399-Y413 HydrophobicContact CZ-CD1 3.9Å; F399-Y413 HydrophobicContact CZ-CE1 4.13Å; F399-Y413 HydrophobicContact CZ-CG 4.28Å; F399-A416 HydrophobicContact CD1-CB 4.32Å; F399-A416 HydrophobicContact CD2-CB 3.57Å; F399-A416 HydrophobicContact CE1-CB 4.31Å; F399-A416 HydrophobicContact CE2-CB 3.57Å; F399-A416 HydrophobicContact CG-CB 3.97Å; F399-A416 HydrophobicContact CZ-CB 3.95Å; F399-I433 HydrophobicContact CE1-CD1 4.47Å; F399-I433 HydrophobicContact CE1-CG1 4.27Å; F399-I433 HydrophobicContact CE1-CG2 4.23Å; F399-I433 HydrophobicContact CZ-CG2 3.86Å
400	K	97	Very high	95.4	Very high	110 Å²	110	68 Å²	68	48%	0.478	32%	0.319	S	S	.	.	H	α-helix	trans	-56.4	-52.1	173.5	179.6	-177.7	167.7	-176.5	0	110.9	R396 S397 I398 A402 R403 E404	R396-K400 PolarHBondContact O-N 2.91Å; S397-K400 WeakPolarHBondContact O-CB 3.36Å; S397-K400 PolarHBondContact O-N 3.32Å; I398-K400 VanDerWaalsContact C-N 3.3Å; I398-K400 PolarHBondContact O-N 3.45Å; K400-A402 VanDerWaalsContact C-N 3.32Å; K400-A402 PolarHBondContact O-N 2.75Å; K400-R403 PolarHBondContact O-N 3.05Å; K400-E404 WeakPolarHBondContact CE-OE1 3.48Å; K400-E404 WeakPolarHBondContact CG-OE1 3.32Å; K400-E404 IonicContact NZ-OE1 3.25Å; K400-E404 PolarHBondContact O-N 3.48Å
401	K	96.2	Very high	95.5	Very high	87 Å²	87	67.1 Å²	67.1	38%	0.378	32%	0.315	S	S	.	.	H	α-helix	trans	-57.3	-42.8	177.1	-65.7	177.8	179.6	-178.6	0	112.1	Y379 S397 I398 F399 R403 E404 D405	Y379-K401 HydrophobicContact CE1-CB 4.19Å; S397-K401 PolarHBondContact O-N 2.68Å; I398-K401 PolarHBondContact O-N 2.95Å; F399-K401 PolarHBondContact O-N 2.93Å; K401-R403 VanDerWaalsContact C-N 3.26Å; K401-R403 PolarHBondContact O-N 3.29Å; K401-E404 PolarHBondContact O-N 3.29Å; K401-D405 PolarHBondContact O-N 3.44Å; K401-D405 VanDerWaalsContact O-N 3.16Å
402	A	96.6	Very high	95.6	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-62	-30.8	-179.7	0	0	0	0	0	113.7	Y379 I398 F399 K400 T408 V412	Y379-A402 HydrophobicContact CD1-CB 3.67Å; Y379-A402 HydrophobicContact CD2-CB 3.79Å; Y379-A402 HydrophobicContact CE1-CB 4.19Å; Y379-A402 HydrophobicContact CE2-CB 4.29Å; Y379-A402 HydrophobicContact CG-CB 3.46Å; Y379-A402 VanDerWaalsContact CG-CB 3.46Å; I398-A402 PolarHBondContact O-N 2.99Å; F399-A402 PolarHBondContact O-N 2.85Å; K400-A402 VanDerWaalsContact C-N 3.32Å; K400-A402 PolarHBondContact O-N 2.75Å; A402-T408 VanDerWaalsContact O-CB 3.24Å; A402-T408 WeakPolarHBondContact O-CB 3.5Å; A402-T408 WeakPolarHBondContact O-CG2 3.29Å; A402-T408 PolarHBondContact O-OG1 3.02Å; A402-V412 HydrophobicContact CB-CG1 4.44Å; A402-V412 HydrophobicContact CB-CG2 3.94Å
403	R	95.7	Very high	95.8	Very high	98 Å²	98	62.8 Å²	62.8	37%	0.37	29%	0.285	S	S	.	.	H	α-helix	trans	-77.5	-23.7	175.1	-61.7	-177.6	-53.3	-178.7	8.4	113.4	F399 K400 K401 Y413	F399-R403 HydrophobicContact CD2-CG 4.42Å; F399-R403 HydrophobicContact CE1-CG 4.41Å; F399-R403 HydrophobicContact CE2-CG 4.02Å; F399-R403 HydrophobicContact CZ-CG 4.01Å; F399-R403 WeakPolarHBondContact O-CG 3.47Å; F399-R403 PolarHBondContact O-N 2.68Å; K400-R403 PolarHBondContact O-N 3.05Å; K401-R403 VanDerWaalsContact C-N 3.26Å; K401-R403 PolarHBondContact O-N 3.29Å; R403-Y413 HydrophobicContact CG-CE1 4.33Å; R403-Y413 HydrophobicContact CG-CE2 4.25Å
404	E	95.6	Very high	95.8	Very high	120 Å²	120	54.8 Å²	54.8	56%	0.561	25%	0.252	S	S	*	.	H	α-helix	trans	-83.5	-25.2	-179.7	-69.8	165.4	176.6	0	0	111.5	K400 K401	K400-E404 WeakPolarHBondContact CE-OE1 3.48Å; K400-E404 WeakPolarHBondContact CG-OE1 3.32Å; K400-E404 IonicContact NZ-OE1 3.25Å; K400-E404 PolarHBondContact O-N 3.48Å; K401-E404 PolarHBondContact O-N 3.29Å
405	D	94.4	Very high	95.9	Very high	23 Å²	23	54.5 Å²	54.5	12%	0.123	25%	0.25	C	C	.	.			trans	-75.5	121.4	169.9	-169.1	-25.5	0	0	0	111.5	Y379 K401 R407 T408	Y379-D405 HydrophobicContact CE2-CB 3.79Å; K401-D405 PolarHBondContact O-N 3.44Å; K401-D405 VanDerWaalsContact O-N 3.16Å; D405-R407 VanDerWaalsContact C-N 3.28Å; D405-R407 PolarHBondContact O-N 3.24Å; D405-R407 VanDerWaalsContact OD1-CB 3.31Å; D405-R407 WeakPolarHBondContact OD1-CB 3.3Å; D405-R407 WeakPolarHBondContact OD1-CG 3.14Å; D405-R407 IonicContact OD1-CZ 2.83Å; D405-R407 PolarHBondContact OD1-N 2.96Å; D405-R407 IonicContact OD1-NE 3.29Å; D405-R407 PolarHBondContact OD1-NE 3.2Å; D405-R407 IonicContact OD1-NH2 3.86Å; D405-R407 IonicContact OD2-CZ 3.21Å; D405-R407 IonicContact OD2-NE 2.71Å; D405-R407 PolarHBondContact OD2-NE 3.31Å; D405-R407 IonicContact OD2-NH2 2.74Å; D405-R407 PolarHBondContact OD2-NH2 2.69Å; D405-T408 WeakPolarHBondContact O-CB 3.48Å; D405-T408 PolarHBondContact O-N 2.86Å; D405-T408 PolarHBondContact O-OG1 2.85Å
406	L	92.4	Very high	96	Very high	163 Å²	163	54.4 Å²	54.4	85%	0.853	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.7	-178.8	-64.2	174.5	0	0	0	113.5	T408	L406-T408 PolarHBondContact O-N 3.2Å
407	R	94.7	Very high	96	Very high	84 Å²	84	49.1 Å²	49.1	32%	0.317	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-14	-178.8	-56.4	171.3	-66.2	174	1	112.5	L368 I370 E371 P375 D405	L368-R407 PolarHBondContact O-NH2 3.42Å; I370-R407 PolarHBondContact O-NH1 3.06Å; E371-R407 PolarHBondContact O-NH1 2.88Å; P375-R407 HydrophobicContact CG-CB 3.7Å; D405-R407 VanDerWaalsContact C-N 3.28Å; D405-R407 PolarHBondContact O-N 3.24Å; D405-R407 VanDerWaalsContact OD1-CB 3.31Å; D405-R407 WeakPolarHBondContact OD1-CB 3.3Å; D405-R407 WeakPolarHBondContact OD1-CG 3.14Å; D405-R407 IonicContact OD1-CZ 2.83Å; D405-R407 PolarHBondContact OD1-N 2.96Å; D405-R407 IonicContact OD1-NE 3.29Å; D405-R407 PolarHBondContact OD1-NE 3.2Å; D405-R407 IonicContact OD1-NH2 3.86Å; D405-R407 IonicContact OD2-CZ 3.21Å; D405-R407 IonicContact OD2-NE 2.71Å; D405-R407 PolarHBondContact OD2-NE 3.31Å; D405-R407 IonicContact OD2-NH2 2.74Å; D405-R407 PolarHBondContact OD2-NH2 2.69Å
408	T	95.4	Very high	95.9	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.031	22%	0.221	C	C	.	.			trans	-71.6	129.7	-174.2	-56.6	0	0	0	0	112.7	T376 A402 D405 L406 V412 Y441	T376-T408 HydrophobicContact CG2-CG2 4.36Å; A402-T408 VanDerWaalsContact O-CB 3.24Å; A402-T408 WeakPolarHBondContact O-CB 3.5Å; A402-T408 WeakPolarHBondContact O-CG2 3.29Å; A402-T408 PolarHBondContact O-OG1 3.02Å; D405-T408 WeakPolarHBondContact O-CB 3.48Å; D405-T408 PolarHBondContact O-N 2.86Å; D405-T408 PolarHBondContact O-OG1 2.85Å; L406-T408 PolarHBondContact O-N 3.2Å; T408-V412 HydrophobicContact CG2-CB 4.06Å; T408-V412 HydrophobicContact CG2-CG1 3.42Å; T408-V412 VanDerWaalsContact CG2-CG1 3.42Å; T408-Y441 PolarHBondContact O-OH 3.28Å
409	R	95.1	Very high	95.7	Very high	124 Å²	124	49.4 Å²	49.4	47%	0.468	23%	0.225	S	C	.	.			trans	-92.1	168.1	177.2	-54	-169.3	-69.6	152.7	-4.6	112.1	D374 T376 H411 V412	D374-R409 IonicContact OD1-NE 3.34Å; D374-R409 IonicContact OD2-CZ 2.68Å; D374-R409 IonicContact OD2-NE 2.73Å; D374-R409 PolarHBondContact OD2-NE 3.42Å; D374-R409 IonicContact OD2-NH2 3.19Å; D374-R409 PolarHBondContact OD2-NH2 2.89Å; T376-R409 HydrophobicContact CG2-CB 4.07Å; T376-R409 WeakPolarHBondContact CG2-O 3.44Å; T376-R409 WeakPolarHBondContact OG1-CB 3.35Å; T376-R409 PolarHBondContact OG1-N 3.48Å; R409-H411 PolarHBondContact O-N 2.62Å; R409-H411 VanDerWaalsContact O-N 3.09Å; R409-V412 PolarHBondContact O-N 3.5Å
410	H	94.9	Very high	95.5	Very high	13 Å²	13	49.4 Å²	49.4	6%	0.06	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-29.9	-174.4	65.9	-92.3	0	0	0	115.9	V412 Y413 Y441 I444 Y447	H410-V412 PolarHBondContact O-N 3.06Å; H410-V412 VanDerWaalsContact O-N 3.07Å; H410-Y413 PolarHBondContact O-N 3.31Å; H410-Y441 HydrophobicContact CB-CD1 3.96Å; H410-Y441 HydrophobicContact CB-CD2 3.81Å; H410-Y441 HydrophobicContact CB-CE1 4.46Å; H410-Y441 HydrophobicContact CB-CE2 4.34Å; H410-Y441 HydrophobicContact CB-CG 3.6Å; H410-I444 HydrophobicContact CB-CD1 4.19Å; H410-I444 WeakPolarHBondContact ND1-CD1 3.46Å; H410-Y447 HydrophobicContact CB-CD2 3.72Å; H410-Y447 HydrophobicContact CB-CG 4.05Å
411	H	96.8	Very high	95.3	Very high	72 Å²	72	46.5 Å²	46.5	33%	0.333	21%	0.212	S	C	.	.	H	α-helix	trans	-55.2	-30.6	-175.6	-51.2	99.2	0	0	0	114.1	T376 I380 R409 Y413 V414 S415	T376-H411 HydrophobicContact CG2-CB 3.81Å; I380-H411 HydrophobicContact CD1-CB 3.77Å; R409-H411 PolarHBondContact O-N 2.62Å; R409-H411 VanDerWaalsContact O-N 3.09Å; H411-Y413 VanDerWaalsContact C-N 3.3Å; H411-Y413 PolarHBondContact O-N 2.66Å; H411-V414 PolarHBondContact O-N 3.37Å; H411-S415 PolarHBondContact O-N 3.4Å
412	V	97	Very high	95.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.1	-33.4	179.7	77.2	0	0	0	0	112.2	T376 I380 M383 F399 A402 T408 R409 H410 S415 A416	T376-V412 HydrophobicContact CG2-CB 4.32Å; I380-V412 HydrophobicContact CG1-CB 4.25Å; I380-V412 HydrophobicContact CG1-CG2 4.17Å; M383-V412 HydrophobicContact CE-CG2 4.36Å; F399-V412 HydrophobicContact CD2-CG2 4.35Å; F399-V412 HydrophobicContact CE2-CG1 4.4Å; A402-V412 HydrophobicContact CB-CG1 4.44Å; A402-V412 HydrophobicContact CB-CG2 3.94Å; T408-V412 HydrophobicContact CG2-CB 4.06Å; T408-V412 HydrophobicContact CG2-CG1 3.42Å; T408-V412 VanDerWaalsContact CG2-CG1 3.42Å; R409-V412 PolarHBondContact O-N 3.5Å; H410-V412 PolarHBondContact O-N 3.06Å; H410-V412 VanDerWaalsContact O-N 3.07Å; V412-S415 PolarHBondContact O-N 3.14Å; V412-A416 VanDerWaalsContact O-CB 3.28Å; V412-A416 WeakPolarHBondContact O-CB 3.36Å; V412-A416 PolarHBondContact O-N 3.39Å
413	Y	96.7	Very high	95	Very high	10 Å²	10	51.3 Å²	51.3	4%	0.039	24%	0.237	C	C	.	.	H	α-helix	trans	-69.9	-41.4	178.7	-74.7	-108.9	0	0	0	110.6	F399 R403 H410 H411 A416 A417 I433 L436 G437 Y441	F399-Y413 HydrophobicContact CE2-CD1 4.34Å; F399-Y413 HydrophobicContact CE2-CD2 4.46Å; F399-Y413 HydrophobicContact CE2-CG 4.27Å; F399-Y413 AromaticContact CZ-CD1 3.9Å; F399-Y413 HydrophobicContact CZ-CD1 3.9Å; F399-Y413 HydrophobicContact CZ-CE1 4.13Å; F399-Y413 HydrophobicContact CZ-CG 4.28Å; R403-Y413 HydrophobicContact CG-CE1 4.33Å; R403-Y413 HydrophobicContact CG-CE2 4.25Å; H410-Y413 PolarHBondContact O-N 3.31Å; H411-Y413 VanDerWaalsContact C-N 3.3Å; H411-Y413 PolarHBondContact O-N 2.66Å; Y413-A416 PolarHBondContact O-N 2.94Å; Y413-A417 WeakPolarHBondContact O-CB 3.32Å; Y413-A417 PolarHBondContact O-N 3.08Å; Y413-I433 HydrophobicContact CD1-CG2 4.43Å; Y413-I433 WeakPolarHBondContact O-CG2 3.28Å; Y413-L436 HydrophobicContact CE1-CD2 4.16Å; Y413-L436 HydrophobicContact CE1-CG 4.11Å; Y413-G437 VanDerWaalsContact CD1-CA 3.49Å; Y413-Y441 HydrophobicContact CD2-CD2 4.42Å; Y413-Y441 AromaticContact CD2-CE2 3.82Å; Y413-Y441 HydrophobicContact CD2-CE2 3.82Å; Y413-Y441 HydrophobicContact CE2-CD2 4.49Å; Y413-Y441 AromaticContact CE2-CE2 3.6Å; Y413-Y441 HydrophobicContact CE2-CE2 3.6Å
414	V	96.9	Very high	94.7	Very high	21 Å²	21	48.3 Å²	48.3	13%	0.127	23%	0.231	C	C	.	.	H	α-helix	trans	-58.6	-51.7	172.5	-176.6	0	0	0	0	110	H411 A416 A417 L418 F434 Y447 A450	H411-V414 PolarHBondContact O-N 3.37Å; V414-A416 VanDerWaalsContact C-N 3.28Å; V414-A416 PolarHBondContact O-N 3.47Å; V414-A417 PolarHBondContact O-N 3.5Å; V414-L418 HydrophobicContact CG1-CD1 3.9Å; V414-L418 HydrophobicContact CG1-CG 4.4Å; V414-L418 WeakPolarHBondContact O-CB 3.43Å; V414-L418 WeakPolarHBondContact O-CG 3.43Å; V414-L418 PolarHBondContact O-N 3.33Å; V414-F434 HydrophobicContact CG1-CE1 4.43Å; V414-F434 HydrophobicContact CG2-CE1 4.4Å; V414-Y447 HydrophobicContact CG2-CD2 3.52Å; V414-Y447 HydrophobicContact CG2-CE2 3.6Å; V414-A450 HydrophobicContact CB-CB 4.49Å; V414-A450 HydrophobicContact CG1-CB 3.71Å; V414-A450 HydrophobicContact CG2-CB 3.9Å
415	S	96.5	Very high	94.5	Very high	18 Å²	18	49.8 Å²	49.8	13%	0.126	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-29.6	-179.6	-173	0	0	0	0	113.3	H411 V412 M419	H411-S415 PolarHBondContact O-N 3.4Å; V412-S415 PolarHBondContact O-N 3.14Å; S415-M419 WeakPolarHBondContact O-CB 3.4Å; S415-M419 PolarHBondContact O-N 3.47Å; S415-M419 VanDerWaalsContact O-N 3.14Å
416	A	96.4	Very high	94.3	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.033	24%	0.244	C	C	.	.	H	α-helix	trans	-73.8	-46.6	177.4	0	0	0	0	0	111.3	M383 F399 V412 Y413 V414 M419 E420 I433	M383-A416 HydrophobicContact CE-CB 3.86Å; M383-A416 HydrophobicContact SD-CB 3.82Å; F399-A416 HydrophobicContact CD1-CB 4.32Å; F399-A416 HydrophobicContact CD2-CB 3.57Å; F399-A416 HydrophobicContact CE1-CB 4.31Å; F399-A416 HydrophobicContact CE2-CB 3.57Å; F399-A416 HydrophobicContact CG-CB 3.97Å; F399-A416 HydrophobicContact CZ-CB 3.95Å; V412-A416 VanDerWaalsContact O-CB 3.28Å; V412-A416 WeakPolarHBondContact O-CB 3.36Å; V412-A416 PolarHBondContact O-N 3.39Å; Y413-A416 PolarHBondContact O-N 2.94Å; V414-A416 VanDerWaalsContact C-N 3.28Å; V414-A416 PolarHBondContact O-N 3.47Å; A416-M419 PolarHBondContact O-N 3.36Å; A416-E420 PolarHBondContact O-N 3.44Å; A416-E420 VanDerWaalsContact O-N 3.08Å; A416-I433 HydrophobicContact CB-CD1 4.46Å; A416-I433 HydrophobicContact CB-CG2 4.17Å
417	A	95.6	Very high	94.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-45.6	177.8	0	0	0	0	0	112.1	Y413 V414 M419 E420 Y421 A430 I433 F434	Y413-A417 WeakPolarHBondContact O-CB 3.32Å; Y413-A417 PolarHBondContact O-N 3.08Å; V414-A417 PolarHBondContact O-N 3.5Å; A417-M419 VanDerWaalsContact C-N 3.29Å; A417-M419 PolarHBondContact O-N 3.03Å; A417-E420 PolarHBondContact O-N 3.01Å; A417-Y421 PolarHBondContact O-N 3.06Å; A417-A430 HydrophobicContact CB-CB 4.48Å; A417-A430 WeakPolarHBondContact O-CB 3.19Å; A417-I433 HydrophobicContact CB-CB 3.93Å; A417-I433 HydrophobicContact CB-CG2 3.8Å; A417-F434 HydrophobicContact CB-CD1 4.41Å; A417-F434 HydrophobicContact CB-CD2 3.41Å; A417-F434 VanDerWaalsContact CB-CD2 3.41Å; A417-F434 HydrophobicContact CB-CE1 4.32Å; A417-F434 HydrophobicContact CB-CE2 3.28Å; A417-F434 HydrophobicContact CB-CG 4Å; A417-F434 HydrophobicContact CB-CZ 3.78Å
418	L	94.8	Very high	94.2	Very high	47 Å²	47	47.1 Å²	47.1	25%	0.246	23%	0.229	C	C	.	.	H	α-helix	trans	-65.3	-31.3	175.5	-66.9	-179.9	0	0	0	112.4	V414 Y422 F434 Y454	V414-L418 HydrophobicContact CG1-CD1 3.9Å; V414-L418 HydrophobicContact CG1-CG 4.4Å; V414-L418 WeakPolarHBondContact O-CB 3.43Å; V414-L418 WeakPolarHBondContact O-CG 3.43Å; V414-L418 PolarHBondContact O-N 3.33Å; L418-Y422 HydrophobicContact CB-CD2 4.07Å; L418-Y422 HydrophobicContact CB-CE2 4.03Å; L418-Y422 HydrophobicContact CD2-CE2 3.96Å; L418-Y422 HydrophobicContact CG-CE2 4.4Å; L418-Y422 WeakPolarHBondContact O-CB 3.41Å; L418-Y422 WeakPolarHBondContact O-CD2 3.29Å; L418-Y422 PolarHBondContact O-N 3.05Å; L418-F434 HydrophobicContact CD2-CZ 4.41Å; L418-F434 HydrophobicContact CG-CZ 4.44Å; L418-Y454 HydrophobicContact CD2-CD2 3.96Å
419	M	93.8	Very high	94.1	Very high	22 Å²	22	48.4 Å²	48.4	11%	0.108	24%	0.237	C	C	.	.	H	α-helix	trans	-69.2	-40.4	176.2	-171.9	177.9	-56.1	0	0	112.1	M383 K384 R387 S415 A416 A417 C423	M383-M419 HydrophobicContact CE-CE 3.94Å; M383-M419 HydrophobicContact CG-CE 3.91Å; M383-M419 HydrophobicContact CG-SD 4.1Å; M383-M419 HydrophobicContact SD-CE 4.5Å; K384-M419 HydrophobicContact CB-CE 4.21Å; K384-M419 HydrophobicContact CG-CE 3.55Å; R387-M419 HydrophobicContact CB-SD 3.5Å; R387-M419 WeakPolarHBondContact CB-SD 3.42Å; R387-M419 HydrophobicContact CG-CG 4.21Å; R387-M419 HydrophobicContact CG-SD 3.63Å; S415-M419 WeakPolarHBondContact O-CB 3.4Å; S415-M419 PolarHBondContact O-N 3.47Å; S415-M419 VanDerWaalsContact O-N 3.14Å; A416-M419 PolarHBondContact O-N 3.36Å; A417-M419 VanDerWaalsContact C-N 3.29Å; A417-M419 PolarHBondContact O-N 3.03Å; M419-C423 WeakPolarHBondContact O-CB 3.47Å; M419-C423 PolarHBondContact O-N 3.31Å
420	E	93.5	Very high	94	Very high	16 Å²	16	42.5 Å²	42.5	8%	0.075	22%	0.215	C	C	.	.	I	π-helix	trans	-64.1	-50.2	171.8	-65.7	-75.3	175.8	0	0	110	R396 A416 A417 Y422 S424 K425 V429 A430 I433	R396-E420 IonicContact CZ-OE1 2.96Å; R396-E420 IonicContact CZ-OE2 3.14Å; R396-E420 IonicContact NE-OE1 2.68Å; R396-E420 PolarHBondContact NE-OE1 3.37Å; R396-E420 IonicContact NE-OE2 3.75Å; R396-E420 VanDerWaalsContact NH2-CD 3.25Å; R396-E420 IonicContact NH2-OE1 2.7Å; R396-E420 PolarHBondContact NH2-OE1 3.26Å; R396-E420 VanDerWaalsContact NH2-OE1 3.14Å; R396-E420 IonicContact NH2-OE2 3.24Å; R396-E420 PolarHBondContact NH2-OE2 3.19Å; A416-E420 PolarHBondContact O-N 3.44Å; A416-E420 VanDerWaalsContact O-N 3.08Å; A417-E420 PolarHBondContact O-N 3.01Å; E420-Y422 PolarHBondContact O-N 3.05Å; E420-S424 WeakPolarHBondContact CA-OG 3.48Å; E420-S424 CarbonylContact O-C 3.57Å; E420-S424 WeakPolarHBondContact O-CA 3.41Å; E420-S424 PolarHBondContact O-N 3.16Å; E420-S424 PolarHBondContact O-OG 3.44Å; E420-S424 WeakPolarHBondContact OE2-CB 3.47Å; E420-S424 PolarHBondContact OE2-OG 3.39Å; E420-K425 PolarHBondContact O-N 2.98Å; E420-V429 HydrophobicContact CB-CG1 4.25Å; E420-V429 HydrophobicContact CG-CG1 3.8Å; E420-A430 HydrophobicContact CB-CB 4.5Å; E420-I433 HydrophobicContact CG-CD1 3.94Å
421	Y	93.4	Very high	93.9	Very high	49 Å²	49	45.8 Å²	45.8	19%	0.192	23%	0.229	C	C	.	.	I	π-helix	trans	-58.1	-49.2	179.5	178.3	-120.5	0	0	0	113.8	A417 K425 K427 Y454 L458	A417-Y421 PolarHBondContact O-N 3.06Å; Y421-K425 WeakPolarHBondContact O-CA 3.24Å; Y421-K425 WeakPolarHBondContact O-CD 3.41Å; Y421-K425 PolarHBondContact O-N 2.9Å; Y421-K427 HydrophobicContact CD2-CG 4.2Å; Y421-K427 HydrophobicContact CE2-CG 4.1Å; Y421-Y454 HydrophobicContact CD1-CD2 4.25Å; Y421-Y454 AromaticContact CD1-CE2 3.76Å; Y421-Y454 HydrophobicContact CD1-CE2 3.76Å; Y421-Y454 AromaticContact CD2-CE2 3.95Å; Y421-Y454 HydrophobicContact CD2-CE2 3.95Å; Y421-Y454 HydrophobicContact CE1-CE2 4.27Å; Y421-Y454 HydrophobicContact CE2-CE2 4.47Å; Y421-Y454 HydrophobicContact CG-CD2 4.46Å; Y421-Y454 AromaticContact CG-CE2 3.57Å; Y421-Y454 HydrophobicContact CG-CE2 3.57Å; Y421-L458 HydrophobicContact CD2-CD2 4.36Å; Y421-L458 HydrophobicContact CE1-CD2 4.45Å; Y421-L458 HydrophobicContact CE2-CD2 3.54Å; Y421-L458 WeakPolarHBondContact OH-CD2 3.47Å
422	Y	92.9	Very high	93.8	Very high	125 Å²	125	48.4 Å²	48.4	49%	0.49	24%	0.239	S	C	.	.	I	π-helix	trans	-78.3	-34.1	-176.4	-67.7	-54	0	0	0	113.4	L418 E420 K425	L418-Y422 HydrophobicContact CB-CD2 4.07Å; L418-Y422 HydrophobicContact CB-CE2 4.03Å; L418-Y422 HydrophobicContact CD2-CE2 3.96Å; L418-Y422 HydrophobicContact CG-CE2 4.4Å; L418-Y422 WeakPolarHBondContact O-CB 3.41Å; L418-Y422 WeakPolarHBondContact O-CD2 3.29Å; L418-Y422 PolarHBondContact O-N 3.05Å; E420-Y422 PolarHBondContact O-N 3.05Å; Y422-K425 WeakPolarHBondContact O-CE 3.35Å; Y422-K425 PolarHBondContact O-NZ 3.2Å
423	C	91.4	Very high	93.7	Very high	63 Å²	63	49.2 Å²	49.2	43%	0.426	24%	0.243	S	C	.	.	I	π-helix	trans	-100.3	-46.6	-173.9	-54.2	0	0	0	0	114.1	R387 M419	R387-C423 VanDerWaalsContact CZ-SG 3.51Å; R387-C423 PolarHBondContact NH2-SG 3.47Å; R387-C423 VanDerWaalsContact NH2-SG 3.43Å; M419-C423 WeakPolarHBondContact O-CB 3.47Å; M419-C423 PolarHBondContact O-N 3.31Å
424	S	89.6	Confident	93.7	Very high	36 Å²	36	48.7 Å²	48.7	25%	0.252	24%	0.241	S	C	.	.	I	π-helix	trans	-89.9	-11.5	178.6	69.5	0	0	0	0	113.2	E420 D426	E420-S424 WeakPolarHBondContact CA-OG 3.48Å; E420-S424 CarbonylContact O-C 3.57Å; E420-S424 WeakPolarHBondContact O-CA 3.41Å; E420-S424 PolarHBondContact O-N 3.16Å; E420-S424 PolarHBondContact O-OG 3.44Å; E420-S424 WeakPolarHBondContact OE2-CB 3.47Å; E420-S424 PolarHBondContact OE2-OG 3.39Å; S424-D426 PolarHBondContact O-N 3.15Å
425	K	91.4	Very high	93.5	Very high	150 Å²	150	49.5 Å²	49.5	65%	0.652	24%	0.243	S	C	*	.			trans	61.4	13	-175.2	-52.7	-52.4	-168.7	-169.1	0	114.1	E420 Y421 Y422 K427	E420-K425 PolarHBondContact O-N 2.98Å; Y421-K425 WeakPolarHBondContact O-CA 3.24Å; Y421-K425 WeakPolarHBondContact O-CD 3.41Å; Y421-K425 PolarHBondContact O-N 2.9Å; Y422-K425 WeakPolarHBondContact O-CE 3.35Å; Y422-K425 PolarHBondContact O-NZ 3.2Å; K425-K427 PolarHBondContact O-N 3.28Å
426	D	91.4	Very high	93.4	Very high	57 Å²	57	52.1 Å²	52.1	31%	0.305	26%	0.256	S	S	.	.			trans	-84.4	93.6	-178.4	-168.8	-24.4	0	0	0	111.4	S424 S428 V429 A430	S424-D426 PolarHBondContact O-N 3.15Å; D426-S428 VanDerWaalsContact C-N 3.26Å; D426-S428 PolarHBondContact O-N 3.28Å; D426-S428 WeakPolarHBondContact OD1-CA 3.28Å; D426-S428 WeakPolarHBondContact OD1-CB 3.34Å; D426-S428 PolarHBondContact OD1-N 2.85Å; D426-V429 HydrophobicContact CB-CB 4.21Å; D426-V429 HydrophobicContact CB-CG2 4.5Å; D426-V429 PolarHBondContact OD1-N 3.2Å; D426-V429 WeakPolarHBondContact OD2-CG2 3.41Å; D426-A430 WeakPolarHBondContact O-CB 3.41Å; D426-A430 PolarHBondContact O-N 3.24Å; D426-A430 VanDerWaalsContact O-N 3.11Å
427	K	91.5	Very high	93.3	Very high	98 Å²	98	51.9 Å²	51.9	43%	0.426	25%	0.254	S	S	.	.	H	α-helix	trans	-59.5	-34.8	172.6	-65.9	-171.8	177.4	-165.4	0	112.5	Y421 K425 F431 L458 E460	Y421-K427 HydrophobicContact CD2-CG 4.2Å; Y421-K427 HydrophobicContact CE2-CG 4.1Å; K425-K427 PolarHBondContact O-N 3.28Å; K427-F431 VanDerWaalsContact O-CB 3.28Å; K427-F431 WeakPolarHBondContact O-CB 3.37Å; K427-F431 PolarHBondContact O-N 3.39Å; K427-L458 HydrophobicContact CD-CD2 4.18Å; K427-L458 HydrophobicContact CG-CD2 4.46Å; K427-E460 IonicContact NZ-OE1 3.97Å
428	S	92.4	Very high	93.1	Very high	60 Å²	60	52.9 Å²	52.9	42%	0.42	26%	0.259	S	S	.	.	H	α-helix	trans	-69.6	-44	-176	-168.3	0	0	0	0	111.4	D426 K432	D426-S428 VanDerWaalsContact C-N 3.26Å; D426-S428 PolarHBondContact O-N 3.28Å; D426-S428 WeakPolarHBondContact OD1-CA 3.28Å; D426-S428 WeakPolarHBondContact OD1-CB 3.34Å; D426-S428 PolarHBondContact OD1-N 2.85Å; S428-K432 WeakPolarHBondContact O-CB 3.21Å; S428-K432 WeakPolarHBondContact O-CD 3.47Å; S428-K432 WeakPolarHBondContact O-CG 3.49Å; S428-K432 PolarHBondContact O-N 3.44Å; S428-K432 PolarHBondContact OG-NZ 3.39Å
429	V	93.1	Very high	93	Very high	32 Å²	32	59.1 Å²	59.1	19%	0.194	28%	0.284	C	S	.	.	H	α-helix	trans	-69.3	-41.9	176.3	172.2	0	0	0	0	110.9	E420 D426 K432 I433	E420-V429 HydrophobicContact CB-CG1 4.25Å; E420-V429 HydrophobicContact CG-CG1 3.8Å; D426-V429 HydrophobicContact CB-CB 4.21Å; D426-V429 HydrophobicContact CB-CG2 4.5Å; D426-V429 PolarHBondContact OD1-N 3.2Å; D426-V429 WeakPolarHBondContact OD2-CG2 3.41Å; V429-K432 PolarHBondContact O-N 3.31Å; V429-I433 HydrophobicContact CG1-CD1 3.83Å; V429-I433 HydrophobicContact CG1-CG1 4.4Å; V429-I433 VanDerWaalsContact O-CG1 3.31Å; V429-I433 WeakPolarHBondContact O-CG1 3.45Å; V429-I433 PolarHBondContact O-N 3.2Å
430	A	93.6	Very high	92.9	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-58.3	-49.5	175.1	0	0	0	0	0	112.1	A417 E420 D426 K432 I433 F434 Y454	A417-A430 HydrophobicContact CB-CB 4.48Å; A417-A430 WeakPolarHBondContact O-CB 3.19Å; E420-A430 HydrophobicContact CB-CB 4.5Å; D426-A430 WeakPolarHBondContact O-CB 3.41Å; D426-A430 PolarHBondContact O-N 3.24Å; D426-A430 VanDerWaalsContact O-N 3.11Å; A430-K432 PolarHBondContact O-N 3.49Å; A430-I433 PolarHBondContact O-N 3.4Å; A430-F434 WeakPolarHBondContact O-CD2 3.41Å; A430-F434 PolarHBondContact O-N 3.41Å; A430-Y454 HydrophobicContact CB-CE2 4.42Å; A430-Y454 WeakPolarHBondContact CB-OH 3.44Å
431	F	92.9	Very high	92.8	Very high	82 Å²	82	62.9 Å²	62.9	36%	0.36	30%	0.299	S	S	.	.	H	α-helix	trans	-57.7	-45.8	174.3	-176.8	-92.6	0	0	0	112.3	K427 I433 F434 E435 Y451 L455	K427-F431 VanDerWaalsContact O-CB 3.28Å; K427-F431 WeakPolarHBondContact O-CB 3.37Å; K427-F431 PolarHBondContact O-N 3.39Å; F431-I433 VanDerWaalsContact C-N 3.31Å; F431-I433 PolarHBondContact O-N 3.25Å; F431-F434 PolarHBondContact O-N 3.22Å; F431-E435 HydrophobicContact CD1-CG 3.95Å; F431-E435 HydrophobicContact CE1-CG 3.51Å; F431-E435 HydrophobicContact CZ-CG 3.82Å; F431-E435 PolarHBondContact O-N 3.45Å; F431-Y451 WeakPolarHBondContact CD2-OH 3.41Å; F431-Y451 WeakPolarHBondContact CE2-OH 3.27Å; F431-L455 HydrophobicContact CD2-CD2 4.24Å; F431-L455 HydrophobicContact CE2-CD2 4.48Å
432	K	95.1	Very high	92.6	Very high	127 Å²	127	60.9 Å²	60.9	55%	0.552	29%	0.294	S	S	*	.	H	α-helix	trans	-61.3	-34.9	176.6	-75.4	162.7	-179	153.8	0	113.2	S428 V429 A430 L436	S428-K432 WeakPolarHBondContact O-CB 3.21Å; S428-K432 WeakPolarHBondContact O-CD 3.47Å; S428-K432 WeakPolarHBondContact O-CG 3.49Å; S428-K432 PolarHBondContact O-N 3.44Å; S428-K432 PolarHBondContact OG-NZ 3.39Å; V429-K432 PolarHBondContact O-N 3.31Å; A430-K432 PolarHBondContact O-N 3.49Å; K432-L436 VanDerWaalsContact O-CB 3.26Å; K432-L436 WeakPolarHBondContact O-CB 3.26Å; K432-L436 PolarHBondContact O-N 3.47Å
433	I	95.6	Very high	92.5	Very high	16 Å²	16	59 Å²	59	8%	0.082	29%	0.292	C	S	.	.	H	α-helix	trans	-70.9	-39.4	175.9	-67	165.6	0	0	0	110.6	F399 Y413 A416 A417 E420 V429 A430 F431 L436 G437	F399-I433 HydrophobicContact CE1-CD1 4.47Å; F399-I433 HydrophobicContact CE1-CG1 4.27Å; F399-I433 HydrophobicContact CE1-CG2 4.23Å; F399-I433 HydrophobicContact CZ-CG2 3.86Å; Y413-I433 HydrophobicContact CD1-CG2 4.43Å; Y413-I433 WeakPolarHBondContact O-CG2 3.28Å; A416-I433 HydrophobicContact CB-CD1 4.46Å; A416-I433 HydrophobicContact CB-CG2 4.17Å; A417-I433 HydrophobicContact CB-CB 3.93Å; A417-I433 HydrophobicContact CB-CG2 3.8Å; E420-I433 HydrophobicContact CG-CD1 3.94Å; V429-I433 HydrophobicContact CG1-CD1 3.83Å; V429-I433 HydrophobicContact CG1-CG1 4.4Å; V429-I433 VanDerWaalsContact O-CG1 3.31Å; V429-I433 WeakPolarHBondContact O-CG1 3.45Å; V429-I433 PolarHBondContact O-N 3.2Å; A430-I433 PolarHBondContact O-N 3.4Å; F431-I433 VanDerWaalsContact C-N 3.31Å; F431-I433 PolarHBondContact O-N 3.25Å; I433-L436 PolarHBondContact O-N 3.3Å; I433-G437 PolarHBondContact O-N 3.32Å
434	F	95.2	Very high	92.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.6	-46.3	174.1	-82.6	-65.7	0	0	0	112.6	V414 A417 L418 A430 F431 L436 G437 L438 Y447 Y451 Y454	V414-F434 HydrophobicContact CG1-CE1 4.43Å; V414-F434 HydrophobicContact CG2-CE1 4.4Å; A417-F434 HydrophobicContact CB-CD1 4.41Å; A417-F434 HydrophobicContact CB-CD2 3.41Å; A417-F434 VanDerWaalsContact CB-CD2 3.41Å; A417-F434 HydrophobicContact CB-CE1 4.32Å; A417-F434 HydrophobicContact CB-CE2 3.28Å; A417-F434 HydrophobicContact CB-CG 4Å; A417-F434 HydrophobicContact CB-CZ 3.78Å; L418-F434 HydrophobicContact CD2-CZ 4.41Å; L418-F434 HydrophobicContact CG-CZ 4.44Å; A430-F434 WeakPolarHBondContact O-CD2 3.41Å; A430-F434 PolarHBondContact O-N 3.41Å; F431-F434 PolarHBondContact O-N 3.22Å; F434-L436 VanDerWaalsContact C-N 3.27Å; F434-L436 PolarHBondContact O-N 3.21Å; F434-G437 PolarHBondContact O-N 3.39Å; F434-L438 WeakPolarHBondContact O-CB 3.17Å; F434-L438 PolarHBondContact O-N 3.16Å; F434-Y447 WeakPolarHBondContact CA-OH 3.43Å; F434-Y447 PolarHBondContact O-OH 3.13Å; F434-Y451 HydrophobicContact CB-CD1 4.12Å; F434-Y451 HydrophobicContact CB-CD2 3.44Å; F434-Y451 VanDerWaalsContact CB-CD2 3.44Å; F434-Y451 HydrophobicContact CB-CE1 4.04Å; F434-Y451 HydrophobicContact CB-CE2 3.38Å; F434-Y451 HydrophobicContact CB-CG 3.86Å; F434-Y451 HydrophobicContact CD1-CD1 4.48Å; F434-Y451 AromaticContact CD1-CD2 3.59Å; F434-Y451 HydrophobicContact CD1-CD2 3.59Å; F434-Y451 HydrophobicContact CD1-CE2 4.41Å; F434-Y451 AromaticContact CD1-CG 3.66Å; F434-Y451 HydrophobicContact CD1-CG 3.66Å; F434-Y451 AromaticContact CD2-CD2 3.76Å; F434-Y451 HydrophobicContact CD2-CD2 3.76Å; F434-Y451 HydrophobicContact CD2-CE2 4.06Å; F434-Y451 HydrophobicContact CE1-CD2 4.23Å; F434-Y451 HydrophobicContact CE1-CG 4.33Å; F434-Y451 HydrophobicContact CE2-CD2 4.37Å; F434-Y451 AromaticContact CG-CD2 3.34Å; F434-Y451 HydrophobicContact CG-CD2 3.34Å; F434-Y451 AromaticContact CG-CE2 3.74Å; F434-Y451 HydrophobicContact CG-CE2 3.74Å; F434-Y451 AromaticContact CG-CG 3.84Å; F434-Y451 HydrophobicContact CG-CG 3.84Å; F434-Y454 AromaticContact CD2-CD1 3.46Å; F434-Y454 HydrophobicContact CD2-CD1 3.46Å; F434-Y454 VanDerWaalsContact CD2-CD1 3.46Å; F434-Y454 AromaticContact CD2-CE1 3.8Å; F434-Y454 HydrophobicContact CD2-CE1 3.8Å; F434-Y454 AromaticContact CD2-CG 3.99Å; F434-Y454 HydrophobicContact CD2-CG 3.99Å; F434-Y454 AromaticContact CE2-CD1 3.34Å; F434-Y454 HydrophobicContact CE2-CD1 3.34Å; F434-Y454 AromaticContact CE2-CD2 3.95Å; F434-Y454 HydrophobicContact CE2-CD2 3.95Å; F434-Y454 AromaticContact CE2-CE1 3.93Å; F434-Y454 HydrophobicContact CE2-CE1 3.93Å; F434-Y454 HydrophobicContact CE2-CE2 4.47Å; F434-Y454 AromaticContact CE2-CG 3.34Å; F434-Y454 HydrophobicContact CE2-CG 3.34Å; F434-Y454 HydrophobicContact CG-CD1 4.49Å; F434-Y454 HydrophobicContact CZ-CD1 4.29Å; F434-Y454 HydrophobicContact CZ-CG 4.02Å
435	E	93.6	Very high	92.4	Very high	37 Å²	37	56.6 Å²	56.6	17%	0.173	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-35.7	173.9	-72.3	-62.3	127.3	0	0	112.6	F431 K439 Y451 R470	F431-E435 HydrophobicContact CD1-CG 3.95Å; F431-E435 HydrophobicContact CE1-CG 3.51Å; F431-E435 HydrophobicContact CZ-CG 3.82Å; F431-E435 PolarHBondContact O-N 3.45Å; E435-K439 WeakPolarHBondContact O-CG 3.39Å; E435-K439 PolarHBondContact O-N 3.38Å; E435-Y451 PolarHBondContact OE1-OH 3.04Å; E435-R470 IonicContact OE1-CZ 3.91Å; E435-R470 IonicContact OE1-NH1 3.12Å; E435-R470 PolarHBondContact OE1-NH1 2.88Å; E435-R470 IonicContact OE1-NH2 2.73Å; E435-R470 PolarHBondContact OE1-NH2 3.46Å; E435-R470 IonicContact OE2-CZ 2.77Å; E435-R470 IonicContact OE2-NH1 2.71Å; E435-R470 PolarHBondContact OE2-NH1 2.91Å; E435-R470 IonicContact OE2-NH2 3.34Å
436	L	94.5	Very high	92.4	Very high	73 Å²	73	53.6 Å²	53.6	38%	0.382	26%	0.261	S	S	.	.	H	α-helix	trans	-68	-40.5	175.5	-178.3	67	0	0	0	112.2	Y413 K432 I433 F434	Y413-L436 HydrophobicContact CE1-CD2 4.16Å; Y413-L436 HydrophobicContact CE1-CG 4.11Å; K432-L436 VanDerWaalsContact O-CB 3.26Å; K432-L436 WeakPolarHBondContact O-CB 3.26Å; K432-L436 PolarHBondContact O-N 3.47Å; I433-L436 PolarHBondContact O-N 3.3Å; F434-L436 VanDerWaalsContact C-N 3.27Å; F434-L436 PolarHBondContact O-N 3.21Å
437	G	93.3	Very high	92.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-72.7	-36.1	177.3	0	0	0	0	0	112.6	Y413 I433 F434 K439 K440 Y441 Y447	Y413-G437 VanDerWaalsContact CD1-CA 3.49Å; I433-G437 PolarHBondContact O-N 3.32Å; F434-G437 PolarHBondContact O-N 3.39Å; G437-K439 PolarHBondContact O-N 3.06Å; G437-K440 PolarHBondContact O-N 2.93Å; G437-Y441 PolarHBondContact O-N 3.28Å; G437-Y447 VanDerWaalsContact CA-OH 3.29Å; G437-Y447 WeakPolarHBondContact CA-OH 3.09Å
438	L	92.8	Very high	92.4	Very high	21 Å²	21	46.2 Å²	46.2	11%	0.11	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-33.2	177.1	-173.2	67.8	0	0	0	112.2	F434 K440 G442 Y447 I448 Y451 L467	F434-L438 WeakPolarHBondContact O-CB 3.17Å; F434-L438 PolarHBondContact O-N 3.16Å; L438-K440 PolarHBondContact O-N 3.39Å; L438-G442 VanDerWaalsContact O-CA 3.28Å; L438-G442 WeakPolarHBondContact O-CA 3.41Å; L438-G442 PolarHBondContact O-N 3.04Å; L438-Y447 HydrophobicContact CB-CE1 4.16Å; L438-I448 HydrophobicContact CD1-CG1 4Å; L438-Y451 HydrophobicContact CD2-CD1 4.47Å; L438-Y451 HydrophobicContact CD2-CE1 4.17Å; L438-L467 HydrophobicContact CD2-CD1 4.11Å
439	K	91.7	Very high	92.3	Very high	178 Å²	178	44.1 Å²	44.1	77%	0.774	21%	0.21	S	C	*	.	H	α-helix	trans	-66.2	-21.8	172.7	-72	175.7	-177.6	-174.8	0	114.3	E435 G437	E435-K439 WeakPolarHBondContact O-CG 3.39Å; E435-K439 PolarHBondContact O-N 3.38Å; G437-K439 PolarHBondContact O-N 3.06Å
440	K	91.2	Very high	92.3	Very high	93 Å²	93	43.9 Å²	43.9	40%	0.404	21%	0.211	S	C	.	.	H	α-helix	trans	-107.4	-29.5	-177	-171	178.7	177.6	-162.2	0	113.4	G437 L438	G437-K440 PolarHBondContact O-N 2.93Å; L438-K440 PolarHBondContact O-N 3.39Å
441	Y	92.8	Very high	92.3	Very high	23 Å²	23	43.9 Å²	43.9	9%	0.09	21%	0.211	C	C	.	.	H	α-helix	trans	-131.3	29.1	-173.3	-54.7	-73.3	0	0	0	112.5	T408 H410 Y413 G437 D443 I444	T408-Y441 PolarHBondContact O-OH 3.28Å; H410-Y441 HydrophobicContact CB-CD1 3.96Å; H410-Y441 HydrophobicContact CB-CD2 3.81Å; H410-Y441 HydrophobicContact CB-CE1 4.46Å; H410-Y441 HydrophobicContact CB-CE2 4.34Å; H410-Y441 HydrophobicContact CB-CG 3.6Å; Y413-Y441 HydrophobicContact CD2-CD2 4.42Å; Y413-Y441 AromaticContact CD2-CE2 3.82Å; Y413-Y441 HydrophobicContact CD2-CE2 3.82Å; Y413-Y441 HydrophobicContact CE2-CD2 4.49Å; Y413-Y441 AromaticContact CE2-CE2 3.6Å; Y413-Y441 HydrophobicContact CE2-CE2 3.6Å; G437-Y441 PolarHBondContact O-N 3.28Å; Y441-D443 VanDerWaalsContact C-OD1 3.27Å; Y441-D443 WeakPolarHBondContact CA-OD1 3.43Å; Y441-D443 PolarHBondContact O-N 3.18Å; Y441-I444 HydrophobicContact CD1-CD1 3.78Å; Y441-I444 HydrophobicContact CG-CD1 4.33Å; Y441-I444 PolarHBondContact O-N 2.95Å; Y441-I444 VanDerWaalsContact O-N 3.16Å
442	G	89.1	Confident	92.1	Very high	7 Å²	7	40 Å²	40	7%	0.072	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	6.2	177.7	0	0	0	0	0	115	L438 S476	L438-G442 VanDerWaalsContact O-CA 3.28Å; L438-G442 WeakPolarHBondContact O-CA 3.41Å; L438-G442 PolarHBondContact O-N 3.04Å; G442-S476 CarbonylContact O-C 3.47Å; G442-S476 WeakPolarHBondContact O-CB 3.27Å; G442-S476 PolarHBondContact O-OG 3.47Å
443	D	89.8	Confident	91.8	Very high	86 Å²	86	36.4 Å²	36.4	46%	0.46	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-7.2	171.9	64.7	-46.8	0	0	0	112.8	Y441 S476 L477	Y441-D443 VanDerWaalsContact C-OD1 3.27Å; Y441-D443 WeakPolarHBondContact CA-OD1 3.43Å; Y441-D443 PolarHBondContact O-N 3.18Å; D443-S476 VanDerWaalsContact CA-O 3.28Å; D443-S476 WeakPolarHBondContact CA-O 3.43Å; D443-S476 WeakPolarHBondContact CB-O 3.33Å; D443-L477 WeakPolarHBondContact O-CD1 3.42Å
444	I	91.6	Very high	91.5	Very high	37 Å²	37	36 Å²	36	19%	0.19	18%	0.179	C	C	.	.			trans	-102.7	114.3	-176.7	-53.8	-170.9	0	0	0	110.7	H410 Y441 E446 Y447 I448	H410-I444 HydrophobicContact CB-CD1 4.19Å; H410-I444 WeakPolarHBondContact ND1-CD1 3.46Å; Y441-I444 HydrophobicContact CD1-CD1 3.78Å; Y441-I444 HydrophobicContact CG-CD1 4.33Å; Y441-I444 PolarHBondContact O-N 2.95Å; Y441-I444 VanDerWaalsContact O-N 3.16Å; I444-E446 HydrophobicContact CG2-CB 4.28Å; I444-E446 WeakPolarHBondContact CG2-OE2 3.38Å; I444-E446 PolarHBondContact O-N 2.84Å; I444-Y447 PolarHBondContact O-N 3.16Å; I444-I448 WeakPolarHBondContact O-CD1 3.44Å; I444-I448 WeakPolarHBondContact O-CG1 3.49Å; I444-I448 PolarHBondContact O-N 2.73Å
445	P	88.6	Confident	91.2	Very high	12 Å²	12	36.1 Å²	36.1	8%	0.078	18%	0.179	C	C	.	.	H	α-helix	trans	-55.4	-46.6	178.5	-23.4	31.4	0	0	0	113.2	Y447 I448 L449 L477 K481	P445-Y447 VanDerWaalsContact C-N 3.26Å; P445-Y447 PolarHBondContact O-N 3.09Å; P445-I448 PolarHBondContact O-N 3.47Å; P445-I448 VanDerWaalsContact O-N 3.09Å; P445-L449 WeakPolarHBondContact O-CB 3.27Å; P445-L449 VanDerWaalsContact O-CG 3.27Å; P445-L449 WeakPolarHBondContact O-CG 3.48Å; P445-L449 PolarHBondContact O-N 3.03Å; P445-L477 HydrophobicContact CG-CD1 3.99Å; P445-K481 HydrophobicContact CG-CB 3.82Å; P445-K481 WeakPolarHBondContact CG-O 3.49Å
446	E	90.9	Very high	90.7	Very high	86 Å²	86	36.4 Å²	36.4	40%	0.402	19%	0.185	S	C	.	.	H	α-helix	trans	-60.1	-35.9	-176.2	-67.9	73.2	-162.3	0	0	112.3	I444 A450 K554	I444-E446 HydrophobicContact CG2-CB 4.28Å; I444-E446 WeakPolarHBondContact CG2-OE2 3.38Å; I444-E446 PolarHBondContact O-N 2.84Å; E446-A450 PolarHBondContact O-N 3.02Å; E446-K554 IonicContact OE1-NZ 3.49Å; E446-K554 PolarHBondContact OE1-NZ 3.14Å
447	Y	93.2	Very high	90.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.6	-45.2	175.9	-178	-102.9	0	0	0	111.8	H410 V414 F434 G437 L438 I444 P445 A450 Y451	H410-Y447 HydrophobicContact CB-CD2 3.72Å; H410-Y447 HydrophobicContact CB-CG 4.05Å; V414-Y447 HydrophobicContact CG2-CD2 3.52Å; V414-Y447 HydrophobicContact CG2-CE2 3.6Å; F434-Y447 WeakPolarHBondContact CA-OH 3.43Å; F434-Y447 PolarHBondContact O-OH 3.13Å; G437-Y447 VanDerWaalsContact CA-OH 3.29Å; G437-Y447 WeakPolarHBondContact CA-OH 3.09Å; L438-Y447 HydrophobicContact CB-CE1 4.16Å; I444-Y447 PolarHBondContact O-N 3.16Å; P445-Y447 VanDerWaalsContact C-N 3.26Å; P445-Y447 PolarHBondContact O-N 3.09Å; Y447-A450 PolarHBondContact O-N 3.33Å; Y447-Y451 PolarHBondContact O-N 3.03Å; Y447-Y451 VanDerWaalsContact O-N 3.13Å
448	I	90.5	Very high	89.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-69.2	-41.8	-177.4	-61.8	158.7	0	0	0	110.7	L438 I444 P445 A450 Y451 I452 V471 L477 I485	L438-I448 HydrophobicContact CD1-CG1 4Å; I444-I448 WeakPolarHBondContact O-CD1 3.44Å; I444-I448 WeakPolarHBondContact O-CG1 3.49Å; I444-I448 PolarHBondContact O-N 2.73Å; P445-I448 PolarHBondContact O-N 3.47Å; P445-I448 VanDerWaalsContact O-N 3.09Å; I448-A450 VanDerWaalsContact C-N 3.3Å; I448-A450 PolarHBondContact O-N 3.41Å; I448-Y451 PolarHBondContact O-N 3.45Å; I448-I452 HydrophobicContact CG2-CD1 3.68Å; I448-I452 HydrophobicContact CG2-CG1 4.23Å; I448-I452 WeakPolarHBondContact O-CG1 3.36Å; I448-I452 PolarHBondContact O-N 3.34Å; I448-V471 HydrophobicContact CD1-CG1 3.93Å; I448-V471 HydrophobicContact CG2-CB 4.35Å; I448-V471 HydrophobicContact CG2-CG1 3.96Å; I448-V471 HydrophobicContact CG2-CG2 3.66Å; I448-L477 HydrophobicContact CD1-CD2 4.19Å; I448-I485 HydrophobicContact CB-CD1 3.97Å; I448-I485 HydrophobicContact CD1-CD1 4.02Å; I448-I485 HydrophobicContact CG2-CD1 3.74Å
449	L	90.1	Very high	89.2	Confident	16 Å²	16	45.3 Å²	45.3	8%	0.084	23%	0.228	C	C	.	.	H	α-helix	trans	-57.3	-44	174.3	-70.1	168	0	0	0	111.2	P445 Y451 I452 D453 E484 I485 R488	P445-L449 WeakPolarHBondContact O-CB 3.27Å; P445-L449 VanDerWaalsContact O-CG 3.27Å; P445-L449 WeakPolarHBondContact O-CG 3.48Å; P445-L449 PolarHBondContact O-N 3.03Å; L449-Y451 VanDerWaalsContact C-N 3.29Å; L449-Y451 PolarHBondContact O-N 3.07Å; L449-I452 PolarHBondContact O-N 3.48Å; L449-D453 WeakPolarHBondContact O-CB 3.42Å; L449-D453 VanDerWaalsContact O-CG 3.27Å; L449-D453 PolarHBondContact O-N 3.37Å; L449-E484 HydrophobicContact CD1-CB 3.94Å; L449-E484 WeakPolarHBondContact CD1-OE2 3.42Å; L449-E484 HydrophobicContact CD2-CB 4.44Å; L449-I485 HydrophobicContact CD2-CG1 4.12Å; L449-I485 HydrophobicContact CG-CG1 4.34Å; L449-R488 HydrophobicContact CD2-CB 4.3Å; L449-R488 HydrophobicContact CD2-CG 3.6Å
450	A	92.6	Very high	88.7	Confident	27 Å²	27	39.6 Å²	39.6	22%	0.223	21%	0.205	C	C	.	.	H	α-helix	trans	-65.1	-29.8	175.8	0	0	0	0	0	113.6	V414 E446 Y447 I448 Y454	V414-A450 HydrophobicContact CB-CB 4.49Å; V414-A450 HydrophobicContact CG1-CB 3.71Å; V414-A450 HydrophobicContact CG2-CB 3.9Å; E446-A450 PolarHBondContact O-N 3.02Å; Y447-A450 PolarHBondContact O-N 3.33Å; I448-A450 VanDerWaalsContact C-N 3.3Å; I448-A450 PolarHBondContact O-N 3.41Å; A450-Y454 PolarHBondContact O-N 3.29Å
451	Y	92.6	Very high	88.3	Confident	1 Å²	1	37.8 Å²	37.8	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-77.1	-41.1	174.4	-176.1	-159	0	0	0	112.3	F431 F434 E435 L438 Y447 I448 L449 D453 Y454 L455 L467	F431-Y451 WeakPolarHBondContact CD2-OH 3.41Å; F431-Y451 WeakPolarHBondContact CE2-OH 3.27Å; F434-Y451 HydrophobicContact CB-CD1 4.12Å; F434-Y451 HydrophobicContact CB-CD2 3.44Å; F434-Y451 VanDerWaalsContact CB-CD2 3.44Å; F434-Y451 HydrophobicContact CB-CE1 4.04Å; F434-Y451 HydrophobicContact CB-CE2 3.38Å; F434-Y451 HydrophobicContact CB-CG 3.86Å; F434-Y451 HydrophobicContact CD1-CD1 4.48Å; F434-Y451 AromaticContact CD1-CD2 3.59Å; F434-Y451 HydrophobicContact CD1-CD2 3.59Å; F434-Y451 HydrophobicContact CD1-CE2 4.41Å; F434-Y451 AromaticContact CD1-CG 3.66Å; F434-Y451 HydrophobicContact CD1-CG 3.66Å; F434-Y451 AromaticContact CD2-CD2 3.76Å; F434-Y451 HydrophobicContact CD2-CD2 3.76Å; F434-Y451 HydrophobicContact CD2-CE2 4.06Å; F434-Y451 HydrophobicContact CE1-CD2 4.23Å; F434-Y451 HydrophobicContact CE1-CG 4.33Å; F434-Y451 HydrophobicContact CE2-CD2 4.37Å; F434-Y451 AromaticContact CG-CD2 3.34Å; F434-Y451 HydrophobicContact CG-CD2 3.34Å; F434-Y451 AromaticContact CG-CE2 3.74Å; F434-Y451 HydrophobicContact CG-CE2 3.74Å; F434-Y451 AromaticContact CG-CG 3.84Å; F434-Y451 HydrophobicContact CG-CG 3.84Å; E435-Y451 PolarHBondContact OE1-OH 3.04Å; L438-Y451 HydrophobicContact CD2-CD1 4.47Å; L438-Y451 HydrophobicContact CD2-CE1 4.17Å; Y447-Y451 PolarHBondContact O-N 3.03Å; Y447-Y451 VanDerWaalsContact O-N 3.13Å; I448-Y451 PolarHBondContact O-N 3.45Å; L449-Y451 VanDerWaalsContact C-N 3.29Å; L449-Y451 PolarHBondContact O-N 3.07Å; Y451-D453 VanDerWaalsContact C-N 3.31Å; Y451-D453 PolarHBondContact O-N 3.41Å; Y451-Y454 HydrophobicContact CD2-CD1 4.05Å; Y451-Y454 HydrophobicContact CE2-CD1 4.13Å; Y451-Y454 WeakPolarHBondContact O-CB 3.31Å; Y451-Y454 PolarHBondContact O-N 3Å; Y451-L455 HydrophobicContact CD2-CD1 4.47Å; Y451-L455 HydrophobicContact CD2-CG 4.08Å; Y451-L455 HydrophobicContact CE2-CD1 3.88Å; Y451-L455 HydrophobicContact CE2-CD2 3.87Å; Y451-L455 HydrophobicContact CE2-CG 3.68Å; Y451-L455 PolarHBondContact O-N 3.37Å; Y451-L467 HydrophobicContact CD1-CD1 3.75Å; Y451-L467 HydrophobicContact CD1-CD2 3.55Å; Y451-L467 HydrophobicContact CD1-CG 4.34Å; Y451-L467 HydrophobicContact CD2-CD2 4.23Å; Y451-L467 HydrophobicContact CE1-CD1 3.58Å; Y451-L467 HydrophobicContact CE1-CD2 3.83Å; Y451-L467 HydrophobicContact CE1-CG 4.38Å; Y451-L467 HydrophobicContact CE2-CD2 4.44Å; Y451-L467 HydrophobicContact CG-CD2 3.77Å
452	I	89.3	Confident	88	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-58.6	-45.6	172.5	-71.5	162.1	0	0	0	110.2	I448 L449 Y454 L455 S456 L467 F468 I485	I448-I452 HydrophobicContact CG2-CD1 3.68Å; I448-I452 HydrophobicContact CG2-CG1 4.23Å; I448-I452 WeakPolarHBondContact O-CG1 3.36Å; I448-I452 PolarHBondContact O-N 3.34Å; L449-I452 PolarHBondContact O-N 3.48Å; I452-Y454 VanDerWaalsContact C-N 3.32Å; I452-Y454 PolarHBondContact O-N 2.88Å; I452-L455 PolarHBondContact O-N 2.84Å; I452-S456 WeakPolarHBondContact O-CB 3.46Å; I452-S456 PolarHBondContact O-N 3.1Å; I452-S456 PolarHBondContact O-OG 3.3Å; I452-L467 HydrophobicContact CB-CD2 4.47Å; I452-L467 HydrophobicContact CG1-CD2 3.67Å; I452-L467 HydrophobicContact CG1-CG 4.22Å; I452-F468 HydrophobicContact CD1-CD1 3.86Å; I452-F468 HydrophobicContact CD1-CE1 3.59Å; I452-F468 HydrophobicContact CD1-CZ 4.29Å; I452-F468 HydrophobicContact CG1-CD1 4.45Å; I452-F468 HydrophobicContact CG1-CE1 4.19Å; I452-F468 HydrophobicContact CG1-CZ 4.47Å; I452-F468 HydrophobicContact CG2-CE1 3.84Å; I452-F468 HydrophobicContact CG2-CE2 3.99Å; I452-F468 HydrophobicContact CG2-CZ 3.39Å; I452-I485 HydrophobicContact CD1-CG2 3.9Å
453	D	88.2	Confident	87.9	Confident	51 Å²	51	44.8 Å²	44.8	27%	0.273	24%	0.236	S	C	.	.	H	α-helix	trans	-62.8	-41.7	178.4	-73.5	-9.1	0	0	0	110.5	L449 Y451 S456 H457 R488	L449-D453 WeakPolarHBondContact O-CB 3.42Å; L449-D453 VanDerWaalsContact O-CG 3.27Å; L449-D453 PolarHBondContact O-N 3.37Å; Y451-D453 VanDerWaalsContact C-N 3.31Å; Y451-D453 PolarHBondContact O-N 3.41Å; D453-S456 PolarHBondContact O-N 2.99Å; D453-H457 PolarHBondContact O-N 3.34Å; D453-H457 PolarHBondContact O-ND1 3.45Å; D453-R488 IonicContact OD1-CZ 3.62Å; D453-R488 IonicContact OD1-NH1 2.99Å; D453-R488 PolarHBondContact OD1-NH1 3.36Å; D453-R488 IonicContact OD2-CZ 2.76Å; D453-R488 IonicContact OD2-NH1 2.88Å; D453-R488 PolarHBondContact OD2-NH1 2.91Å; D453-R488 IonicContact OD2-NH2 3.34Å
454	Y	90.9	Very high	87.8	Confident	8 Å²	8	40.7 Å²	40.7	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-57.2	-51.1	172.8	169.3	-108.9	0	0	0	113	L418 Y421 A430 F434 A450 Y451 I452 H457 L458	L418-Y454 HydrophobicContact CD2-CD2 3.96Å; Y421-Y454 HydrophobicContact CD1-CD2 4.25Å; Y421-Y454 AromaticContact CD1-CE2 3.76Å; Y421-Y454 HydrophobicContact CD1-CE2 3.76Å; Y421-Y454 AromaticContact CD2-CE2 3.95Å; Y421-Y454 HydrophobicContact CD2-CE2 3.95Å; Y421-Y454 HydrophobicContact CE1-CE2 4.27Å; Y421-Y454 HydrophobicContact CE2-CE2 4.47Å; Y421-Y454 HydrophobicContact CG-CD2 4.46Å; Y421-Y454 AromaticContact CG-CE2 3.57Å; Y421-Y454 HydrophobicContact CG-CE2 3.57Å; A430-Y454 HydrophobicContact CB-CE2 4.42Å; A430-Y454 WeakPolarHBondContact CB-OH 3.44Å; F434-Y454 AromaticContact CD2-CD1 3.46Å; F434-Y454 HydrophobicContact CD2-CD1 3.46Å; F434-Y454 VanDerWaalsContact CD2-CD1 3.46Å; F434-Y454 AromaticContact CD2-CE1 3.8Å; F434-Y454 HydrophobicContact CD2-CE1 3.8Å; F434-Y454 AromaticContact CD2-CG 3.99Å; F434-Y454 HydrophobicContact CD2-CG 3.99Å; F434-Y454 AromaticContact CE2-CD1 3.34Å; F434-Y454 HydrophobicContact CE2-CD1 3.34Å; F434-Y454 AromaticContact CE2-CD2 3.95Å; F434-Y454 HydrophobicContact CE2-CD2 3.95Å; F434-Y454 AromaticContact CE2-CE1 3.93Å; F434-Y454 HydrophobicContact CE2-CE1 3.93Å; F434-Y454 HydrophobicContact CE2-CE2 4.47Å; F434-Y454 AromaticContact CE2-CG 3.34Å; F434-Y454 HydrophobicContact CE2-CG 3.34Å; F434-Y454 HydrophobicContact CG-CD1 4.49Å; F434-Y454 HydrophobicContact CZ-CD1 4.29Å; F434-Y454 HydrophobicContact CZ-CG 4.02Å; A450-Y454 PolarHBondContact O-N 3.29Å; Y451-Y454 HydrophobicContact CD2-CD1 4.05Å; Y451-Y454 HydrophobicContact CE2-CD1 4.13Å; Y451-Y454 WeakPolarHBondContact O-CB 3.31Å; Y451-Y454 PolarHBondContact O-N 3Å; I452-Y454 VanDerWaalsContact C-N 3.32Å; I452-Y454 PolarHBondContact O-N 2.88Å; Y454-H457 PolarHBondContact O-N 3.32Å; Y454-L458 HydrophobicContact CE1-CD1 3.93Å; Y454-L458 HydrophobicContact CE2-CD1 4.35Å; Y454-L458 HydrophobicContact CE2-CD2 4.27Å; Y454-L458 HydrophobicContact CE2-CG 4.36Å; Y454-L458 PolarHBondContact O-N 3.17Å
455	L	88.1	Confident	87.6	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-66.6	-36.9	179.9	-67	-173.7	0	0	0	112.7	F431 Y451 I452 H457 L458 T464 L467	F431-L455 HydrophobicContact CD2-CD2 4.24Å; F431-L455 HydrophobicContact CE2-CD2 4.48Å; Y451-L455 HydrophobicContact CD2-CD1 4.47Å; Y451-L455 HydrophobicContact CD2-CG 4.08Å; Y451-L455 HydrophobicContact CE2-CD1 3.88Å; Y451-L455 HydrophobicContact CE2-CD2 3.87Å; Y451-L455 HydrophobicContact CE2-CG 3.68Å; Y451-L455 PolarHBondContact O-N 3.37Å; I452-L455 PolarHBondContact O-N 2.84Å; L455-H457 VanDerWaalsContact C-N 3.31Å; L455-H457 PolarHBondContact O-N 2.93Å; L455-L458 HydrophobicContact CD2-CD1 4.15Å; L455-L458 WeakPolarHBondContact O-CB 3.46Å; L455-L458 PolarHBondContact O-N 3.22Å; L455-T464 WeakPolarHBondContact CB-OG1 3.42Å; L455-L467 HydrophobicContact CD1-CB 3.98Å; L455-L467 HydrophobicContact CD1-CD2 3.63Å; L455-L467 HydrophobicContact CD1-CG 4.39Å; L455-L467 HydrophobicContact CG-CD2 4.41Å
456	S	83.4	Confident	87.7	Confident	42 Å²	42	45.7 Å²	45.7	29%	0.294	24%	0.239	S	C	.	.	H	α-helix	trans	-60.5	-41.5	175.9	-56.6	0	0	0	0	111.2	I452 D453 L458 N459	I452-S456 WeakPolarHBondContact O-CB 3.46Å; I452-S456 PolarHBondContact O-N 3.1Å; I452-S456 PolarHBondContact O-OG 3.3Å; D453-S456 PolarHBondContact O-N 2.99Å; S456-L458 PolarHBondContact O-N 3.42Å; S456-N459 PolarHBondContact O-N 3.03Å; S456-N459 VanDerWaalsContact O-N 3.1Å
457	H	81.8	Confident	87.6	Confident	138 Å²	138	41.7 Å²	41.7	64%	0.639	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-10.5	174.9	-73	86.5	0	0	0	114.3	D453 Y454 L455 N459	D453-H457 PolarHBondContact O-N 3.34Å; D453-H457 PolarHBondContact O-ND1 3.45Å; Y454-H457 PolarHBondContact O-N 3.32Å; L455-H457 VanDerWaalsContact C-N 3.31Å; L455-H457 PolarHBondContact O-N 2.93Å; H457-N459 VanDerWaalsContact C-N 3.34Å
458	L	85.3	Confident	87.5	Confident	19 Å²	19	41.8 Å²	41.8	10%	0.099	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-9.3	170	-63.8	-176.3	0	0	0	113.1	Y421 K427 Y454 L455 S456 E460	Y421-L458 HydrophobicContact CD2-CD2 4.36Å; Y421-L458 HydrophobicContact CE1-CD2 4.45Å; Y421-L458 HydrophobicContact CE2-CD2 3.54Å; Y421-L458 WeakPolarHBondContact OH-CD2 3.47Å; K427-L458 HydrophobicContact CD-CD2 4.18Å; K427-L458 HydrophobicContact CG-CD2 4.46Å; Y454-L458 HydrophobicContact CE1-CD1 3.93Å; Y454-L458 HydrophobicContact CE2-CD1 4.35Å; Y454-L458 HydrophobicContact CE2-CD2 4.27Å; Y454-L458 HydrophobicContact CE2-CG 4.36Å; Y454-L458 PolarHBondContact O-N 3.17Å; L455-L458 HydrophobicContact CD2-CD1 4.15Å; L455-L458 WeakPolarHBondContact O-CB 3.46Å; L455-L458 PolarHBondContact O-N 3.22Å; S456-L458 PolarHBondContact O-N 3.42Å; L458-E460 HydrophobicContact CB-CB 4.4Å; L458-E460 HydrophobicContact CB-CG 3.95Å; L458-E460 PolarHBondContact O-N 3.31Å
459	N	80.8	Confident	87.4	Confident	124 Å²	124	44.8 Å²	44.8	66%	0.663	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	35.2	-171.6	-154.4	91.8	0	0	0	112.6	S456 H457 D461	S456-N459 PolarHBondContact O-N 3.03Å; S456-N459 VanDerWaalsContact O-N 3.1Å; H457-N459 VanDerWaalsContact C-N 3.34Å; N459-D461 PolarHBondContact O-N 3.41Å
460	E	81.3	Confident	87.4	Confident	59 Å²	59	48.6 Å²	48.6	28%	0.276	25%	0.248	S	C	.	.			trans	-99	66.7	177.7	-69.3	-177.9	-166.2	0	0	110.6	K427 L458 N462 N463 T464	K427-E460 IonicContact NZ-OE1 3.97Å; L458-E460 HydrophobicContact CB-CB 4.4Å; L458-E460 HydrophobicContact CB-CG 3.95Å; L458-E460 PolarHBondContact O-N 3.31Å; E460-N462 VanDerWaalsContact C-N 3.27Å; E460-N462 PolarHBondContact O-N 3.31Å; E460-N462 VanDerWaalsContact O-N 3.12Å; E460-N463 HydrophobicContact CB-CB 4.05Å; E460-N463 PolarHBondContact O-N 3.22Å; E460-N463 PolarHBondContact OE2-ND2 2.92Å; E460-T464 PolarHBondContact O-N 3.29Å; E460-T464 PolarHBondContact O-OG1 3.04Å
461	D	83.9	Confident	87.2	Confident	54 Å²	54	47.6 Å²	47.6	29%	0.289	24%	0.238	S	C	.	.	H	α-helix	trans	-49.5	-42.8	-171.5	-59.2	-25	0	0	0	114.2	N459 R465 F492 I496	N459-D461 PolarHBondContact O-N 3.41Å; D461-R465 VanDerWaalsContact O-CB 3.32Å; D461-R465 WeakPolarHBondContact O-CB 3.41Å; D461-R465 PolarHBondContact O-N 2.9Å; D461-F492 HydrophobicContact CB-CZ 4.41Å; D461-F492 WeakPolarHBondContact O-CZ 3.33Å; D461-I496 HydrophobicContact CB-CD1 3.59Å
462	N	86.9	Confident	87	Confident	109 Å²	109	49.1 Å²	49.1	58%	0.583	25%	0.247	S	C	*	.	H	α-helix	trans	-64.7	-42.4	177.7	-174	71.6	0	0	0	112	E460 R465 V466	E460-N462 VanDerWaalsContact C-N 3.27Å; E460-N462 PolarHBondContact O-N 3.31Å; E460-N462 VanDerWaalsContact O-N 3.12Å; N462-R465 PolarHBondContact O-N 3.21Å; N462-V466 WeakPolarHBondContact O-CB 3.42Å; N462-V466 VanDerWaalsContact O-CG2 3.24Å; N462-V466 WeakPolarHBondContact O-CG2 3.49Å; N462-V466 PolarHBondContact O-N 3.09Å
463	N	86.3	Confident	86.9	Confident	68 Å²	68	53.8 Å²	53.8	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-72.4	-37.5	-178.7	-65.4	-14.9	0	0	0	111.1	E460 V466 L467	E460-N463 HydrophobicContact CB-CB 4.05Å; E460-N463 PolarHBondContact O-N 3.22Å; E460-N463 PolarHBondContact OE2-ND2 2.92Å; N463-V466 PolarHBondContact O-N 3.26Å; N463-L467 PolarHBondContact O-N 3.22Å
464	T	87	Confident	86.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63	-45.9	173.1	-53.7	0	0	0	0	111.2	L455 E460 L467 F468 F492	L455-T464 WeakPolarHBondContact CB-OG1 3.42Å; E460-T464 PolarHBondContact O-N 3.29Å; E460-T464 PolarHBondContact O-OG1 3.04Å; T464-L467 WeakPolarHBondContact O-CB 3.43Å; T464-L467 PolarHBondContact O-N 3.19Å; T464-F468 HydrophobicContact CG2-CD2 4.04Å; T464-F468 HydrophobicContact CG2-CE2 3.69Å; T464-F468 VanDerWaalsContact O-CD2 3.25Å; T464-F468 WeakPolarHBondContact O-CD2 3.22Å; T464-F468 PolarHBondContact O-N 2.87Å; T464-F492 HydrophobicContact CG2-CD2 3.9Å; T464-F492 HydrophobicContact CG2-CE1 4.37Å; T464-F492 HydrophobicContact CG2-CE2 3.55Å; T464-F492 HydrophobicContact CG2-CG 4.46Å; T464-F492 HydrophobicContact CG2-CZ 3.79Å
465	R	88.8	Confident	85.9	Confident	74 Å²	74	57.4 Å²	57.4	28%	0.279	32%	0.316	S	S	.	.	H	α-helix	trans	-61.8	-43.6	175	-173	174.8	-73.5	110.4	-4.4	112.4	D461 N462 L467 F468 E469 F492 E493	D461-R465 VanDerWaalsContact O-CB 3.32Å; D461-R465 WeakPolarHBondContact O-CB 3.41Å; D461-R465 PolarHBondContact O-N 2.9Å; N462-R465 PolarHBondContact O-N 3.21Å; R465-L467 VanDerWaalsContact C-N 3.3Å; R465-L467 PolarHBondContact O-N 3.04Å; R465-F468 PolarHBondContact O-N 3.13Å; R465-E469 WeakPolarHBondContact O-CG 3.34Å; R465-E469 PolarHBondContact O-N 2.65Å; R465-F492 HydrophobicContact CB-CE1 4.1Å; R465-E493 IonicContact CZ-OE1 3.87Å; R465-E493 VanDerWaalsContact CZ-OE1 3.24Å; R465-E493 IonicContact CZ-OE2 2.69Å; R465-E493 IonicContact NE-OE1 3.92Å; R465-E493 PolarHBondContact NE-OE1 2.94Å; R465-E493 IonicContact NE-OE2 3.37Å; R465-E493 VanDerWaalsContact NH2-CD 3.3Å; R465-E493 IonicContact NH2-OE1 2.93Å; R465-E493 PolarHBondContact NH2-OE1 3.36Å; R465-E493 IonicContact NH2-OE2 2.72Å; R465-E493 PolarHBondContact NH2-OE2 2.86Å
466	V	90.6	Very high	85.6	Confident	81 Å²	81	60 Å²	60	49%	0.491	34%	0.335	S	S	.	.	H	α-helix	trans	-61.9	-36.9	174.4	168	0	0	0	0	111.5	N462 N463 R470	N462-V466 WeakPolarHBondContact O-CB 3.42Å; N462-V466 VanDerWaalsContact O-CG2 3.24Å; N462-V466 WeakPolarHBondContact O-CG2 3.49Å; N462-V466 PolarHBondContact O-N 3.09Å; N463-V466 PolarHBondContact O-N 3.26Å; V466-R470 WeakPolarHBondContact O-CB 3.32Å; V466-R470 PolarHBondContact O-N 2.91Å
467	L	88.6	Confident	85.6	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-65.3	-47.2	174.7	179.7	64.2	0	0	0	111.8	L438 Y451 I452 L455 N463 T464 R465 R470 V471	L438-L467 HydrophobicContact CD2-CD1 4.11Å; Y451-L467 HydrophobicContact CD1-CD1 3.75Å; Y451-L467 HydrophobicContact CD1-CD2 3.55Å; Y451-L467 HydrophobicContact CD1-CG 4.34Å; Y451-L467 HydrophobicContact CD2-CD2 4.23Å; Y451-L467 HydrophobicContact CE1-CD1 3.58Å; Y451-L467 HydrophobicContact CE1-CD2 3.83Å; Y451-L467 HydrophobicContact CE1-CG 4.38Å; Y451-L467 HydrophobicContact CE2-CD2 4.44Å; Y451-L467 HydrophobicContact CG-CD2 3.77Å; I452-L467 HydrophobicContact CB-CD2 4.47Å; I452-L467 HydrophobicContact CG1-CD2 3.67Å; I452-L467 HydrophobicContact CG1-CG 4.22Å; L455-L467 HydrophobicContact CD1-CB 3.98Å; L455-L467 HydrophobicContact CD1-CD2 3.63Å; L455-L467 HydrophobicContact CD1-CG 4.39Å; L455-L467 HydrophobicContact CG-CD2 4.41Å; N463-L467 PolarHBondContact O-N 3.22Å; T464-L467 WeakPolarHBondContact O-CB 3.43Å; T464-L467 PolarHBondContact O-N 3.19Å; R465-L467 VanDerWaalsContact C-N 3.3Å; R465-L467 PolarHBondContact O-N 3.04Å; L467-R470 VanDerWaalsContact CD1-NH2 3.3Å; L467-R470 PolarHBondContact O-N 3.44Å; L467-V471 HydrophobicContact CD1-CG2 4.02Å; L467-V471 HydrophobicContact CG-CG2 4.44Å; L467-V471 WeakPolarHBondContact O-CB 3.44Å; L467-V471 WeakPolarHBondContact O-CG2 3.19Å; L467-V471 PolarHBondContact O-N 3.36Å
468	F	89.7	Confident	85.6	Confident	1 Å²	1	53.9 Å²	53.9	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-55.4	-52.8	175.6	-80.2	-64.5	0	0	0	111.4	I452 T464 R465 R470 V471 L472 I485 R488 F489 F492	I452-F468 HydrophobicContact CD1-CD1 3.86Å; I452-F468 HydrophobicContact CD1-CE1 3.59Å; I452-F468 HydrophobicContact CD1-CZ 4.29Å; I452-F468 HydrophobicContact CG1-CD1 4.45Å; I452-F468 HydrophobicContact CG1-CE1 4.19Å; I452-F468 HydrophobicContact CG1-CZ 4.47Å; I452-F468 HydrophobicContact CG2-CE1 3.84Å; I452-F468 HydrophobicContact CG2-CE2 3.99Å; I452-F468 HydrophobicContact CG2-CZ 3.39Å; T464-F468 HydrophobicContact CG2-CD2 4.04Å; T464-F468 HydrophobicContact CG2-CE2 3.69Å; T464-F468 VanDerWaalsContact O-CD2 3.25Å; T464-F468 WeakPolarHBondContact O-CD2 3.22Å; T464-F468 PolarHBondContact O-N 2.87Å; R465-F468 PolarHBondContact O-N 3.13Å; F468-R470 PolarHBondContact O-N 3.13Å; F468-V471 PolarHBondContact O-N 2.9Å; F468-L472 WeakPolarHBondContact O-CB 3.34Å; F468-L472 VanDerWaalsContact O-CG 3.29Å; F468-L472 WeakPolarHBondContact O-CG 3.27Å; F468-L472 PolarHBondContact O-N 3.36Å; F468-I485 HydrophobicContact CD1-CG2 3.96Å; F468-I485 HydrophobicContact CE1-CG2 4.18Å; F468-R488 HydrophobicContact CE1-CB 4.17Å; F468-R488 HydrophobicContact CZ-CB 4.23Å; F468-F489 HydrophobicContact CB-CD1 4.21Å; F468-F489 HydrophobicContact CB-CD2 3.9Å; F468-F489 HydrophobicContact CB-CE1 4.27Å; F468-F489 HydrophobicContact CB-CE2 3.98Å; F468-F489 HydrophobicContact CB-CG 4.03Å; F468-F489 HydrophobicContact CB-CZ 4.17Å; F468-F489 HydrophobicContact CD1-CB 3.6Å; F468-F489 HydrophobicContact CD1-CD2 4.08Å; F468-F489 AromaticContact CD1-CG 3.83Å; F468-F489 HydrophobicContact CD1-CG 3.83Å; F468-F489 HydrophobicContact CD2-CB 4.49Å; F468-F489 AromaticContact CD2-CD2 3.56Å; F468-F489 HydrophobicContact CD2-CD2 3.56Å; F468-F489 HydrophobicContact CD2-CE2 4.05Å; F468-F489 HydrophobicContact CD2-CG 4.18Å; F468-F489 HydrophobicContact CE1-CB 3.6Å; F468-F489 HydrophobicContact CE1-CD2 4.46Å; F468-F489 HydrophobicContact CE1-CG 4.25Å; F468-F489 HydrophobicContact CE2-CB 4.5Å; F468-F489 AromaticContact CE2-CD2 4Å; F468-F489 HydrophobicContact CE2-CD2 4Å; F468-F489 HydrophobicContact CG-CB 4.07Å; F468-F489 HydrophobicContact CG-CD1 4.43Å; F468-F489 AromaticContact CG-CD2 3.61Å; F468-F489 HydrophobicContact CG-CD2 3.61Å; F468-F489 HydrophobicContact CG-CE2 4.14Å; F468-F489 AromaticContact CG-CG 3.79Å; F468-F489 HydrophobicContact CG-CG 3.79Å; F468-F489 HydrophobicContact CZ-CB 4.08Å; F468-F489 HydrophobicContact CZ-CD2 4.42Å; F468-F492 HydrophobicContact CD2-CD1 4.01Å; F468-F492 HydrophobicContact CD2-CE1 4.35Å; F468-F492 HydrophobicContact CD2-CG 4.45Å; F468-F492 HydrophobicContact CE2-CB 3.76Å; F468-F492 AromaticContact CE2-CD1 3.66Å; F468-F492 HydrophobicContact CE2-CD1 3.66Å; F468-F492 HydrophobicContact CE2-CD2 4.3Å; F468-F492 HydrophobicContact CE2-CE1 4.3Å; F468-F492 AromaticContact CE2-CG 3.65Å; F468-F492 HydrophobicContact CE2-CG 3.65Å; F468-F492 HydrophobicContact CZ-CB 4.09Å; F468-F492 HydrophobicContact CZ-CG 4.45Å
469	E	89.9	Confident	85.2	Confident	64 Å²	64	56.8 Å²	56.8	30%	0.299	33%	0.327	S	S	.	.	H	α-helix	trans	-62.2	-41.9	179.9	-68.7	-64.2	174.9	0	0	112.3	R465 L472 T473 R508	R465-E469 WeakPolarHBondContact O-CG 3.34Å; R465-E469 PolarHBondContact O-N 2.65Å; E469-L472 PolarHBondContact O-N 3.23Å; E469-T473 WeakPolarHBondContact O-CB 3.4Å; E469-T473 PolarHBondContact O-N 2.9Å; E469-T473 PolarHBondContact O-OG1 3.01Å; E469-R508 IonicContact OE1-CZ 2.57Å; E469-R508 IonicContact OE1-NH1 3.34Å; E469-R508 PolarHBondContact OE1-NH1 3.2Å; E469-R508 IonicContact OE2-CZ 3.73Å; E469-R508 VanDerWaalsContact OE2-CZ 3.25Å; E469-R508 IonicContact OE2-NH1 3.67Å; E469-R508 PolarHBondContact OE2-NH1 3.06Å; E469-R508 IonicContact OE2-NH2 3.17Å; E469-R508 PolarHBondContact OE2-NH2 3.36Å
470	R	90.1	Very high	85.1	Confident	96 Å²	96	58.4 Å²	58.4	36%	0.362	33%	0.33	S	S	.	.	H	α-helix	trans	-61.7	-46.1	178.1	-178.2	174.3	61.4	165.3	-2.5	111.5	E435 V466 L467 F468 S474	E435-R470 IonicContact OE1-CZ 3.91Å; E435-R470 IonicContact OE1-NH1 3.12Å; E435-R470 PolarHBondContact OE1-NH1 2.88Å; E435-R470 IonicContact OE1-NH2 2.73Å; E435-R470 PolarHBondContact OE1-NH2 3.46Å; E435-R470 IonicContact OE2-CZ 2.77Å; E435-R470 IonicContact OE2-NH1 2.71Å; E435-R470 PolarHBondContact OE2-NH1 2.91Å; E435-R470 IonicContact OE2-NH2 3.34Å; V466-R470 WeakPolarHBondContact O-CB 3.32Å; V466-R470 PolarHBondContact O-N 2.91Å; L467-R470 VanDerWaalsContact CD1-NH2 3.3Å; L467-R470 PolarHBondContact O-N 3.44Å; F468-R470 PolarHBondContact O-N 3.13Å; R470-S474 WeakPolarHBondContact O-CB 3.42Å; R470-S474 PolarHBondContact O-N 3.47Å; R470-S474 PolarHBondContact O-OG 3.49Å
471	V	88.3	Confident	85.1	Confident	5 Å²	5	61.5 Å²	61.5	3%	0.03	34%	0.343	C	S	.	.	H	α-helix	trans	-66.1	-44.5	180	165.3	0	0	0	0	111.8	I448 L467 F468 T473 S474 L477 I485	I448-V471 HydrophobicContact CD1-CG1 3.93Å; I448-V471 HydrophobicContact CG2-CB 4.35Å; I448-V471 HydrophobicContact CG2-CG1 3.96Å; I448-V471 HydrophobicContact CG2-CG2 3.66Å; L467-V471 HydrophobicContact CD1-CG2 4.02Å; L467-V471 HydrophobicContact CG-CG2 4.44Å; L467-V471 WeakPolarHBondContact O-CB 3.44Å; L467-V471 WeakPolarHBondContact O-CG2 3.19Å; L467-V471 PolarHBondContact O-N 3.36Å; F468-V471 PolarHBondContact O-N 2.9Å; V471-T473 PolarHBondContact O-N 3.43Å; V471-S474 PolarHBondContact O-OG 2.98Å; V471-L477 HydrophobicContact CG1-CD2 4.28Å; V471-I485 HydrophobicContact CG1-CD1 3.8Å; V471-I485 HydrophobicContact CG1-CG2 4.46Å
472	L	87.5	Confident	85.1	Confident	34 Å²	34	59.2 Å²	59.2	18%	0.178	33%	0.331	C	S	.	.	H	α-helix	trans	-77.5	-9.8	-175.4	-63.4	173.7	0	0	0	112.8	F468 E469 I485 W486 F489	F468-L472 WeakPolarHBondContact O-CB 3.34Å; F468-L472 VanDerWaalsContact O-CG 3.29Å; F468-L472 WeakPolarHBondContact O-CG 3.27Å; F468-L472 PolarHBondContact O-N 3.36Å; E469-L472 PolarHBondContact O-N 3.23Å; L472-I485 HydrophobicContact CD1-CG2 4.45Å; L472-I485 HydrophobicContact CD2-CB 4.31Å; L472-I485 HydrophobicContact CD2-CG2 3.95Å; L472-I485 HydrophobicContact CG-CG2 4.27Å; L472-W486 HydrophobicContact CB-CZ2 4.16Å; L472-W486 HydrophobicContact CD1-CD2 3.9Å; L472-W486 HydrophobicContact CD1-CE3 3.97Å; L472-W486 HydrophobicContact CD1-CH2 3.92Å; L472-W486 HydrophobicContact CD1-CZ2 3.88Å; L472-W486 HydrophobicContact CD1-CZ3 3.98Å; L472-W486 HydrophobicContact CD2-CD2 4.33Å; L472-W486 HydrophobicContact CD2-CG 4.46Å; L472-W486 HydrophobicContact CD2-CZ2 4.16Å; L472-W486 HydrophobicContact CG-CZ2 4.28Å; L472-F489 HydrophobicContact CD1-CD1 3.75Å; L472-F489 HydrophobicContact CD1-CE1 4.27Å
473	T	87.1	Confident	84.9	Confident	99 Å²	99	54.9 Å²	54.9	61%	0.607	31%	0.312	S	S	*	.	H	α-helix	trans	-115.6	-20.7	-179.9	-45.4	0	0	0	0	113.4	E469 V471 G475	E469-T473 WeakPolarHBondContact O-CB 3.4Å; E469-T473 PolarHBondContact O-N 2.9Å; E469-T473 PolarHBondContact O-OG1 3.01Å; V471-T473 PolarHBondContact O-N 3.43Å; T473-G475 PolarHBondContact O-N 2.92Å
474	S	82.1	Confident	84.8	Confident	66 Å²	66	54 Å²	54	46%	0.462	31%	0.306	S	S	.	.	S	Bend	trans	-65.2	-19	-177.5	58	0	0	0	0	114.5	R470 V471 S476	R470-S474 WeakPolarHBondContact O-CB 3.42Å; R470-S474 PolarHBondContact O-N 3.47Å; R470-S474 PolarHBondContact O-OG 3.49Å; V471-S474 PolarHBondContact O-OG 2.98Å; S474-S476 PolarHBondContact O-N 3.42Å; S474-S476 VanDerWaalsContact O-N 3.16Å; S474-S476 PolarHBondContact OG-N 2.79Å; S474-S476 PolarHBondContact OG-OG 2.75Å
475	G	77.3	Confident	84.8	Confident	68 Å²	68	54 Å²	54	70%	0.701	31%	0.306	S	S	*	.	S	Bend	trans	67.9	4.7	-172.8	0	0	0	0	0	114.4	T473 L477	T473-G475 PolarHBondContact O-N 2.92Å; G475-L477 VanDerWaalsContact C-N 3.27Å; G475-L477 PolarHBondContact O-N 2.68Å
476	S	81.1	Confident	84.8	Confident	57 Å²	57	51 Å²	51	40%	0.399	30%	0.295	S	S	.	.			trans	-71.6	-23.8	177.4	61.2	0	0	0	0	112.8	G442 D443 S474	G442-S476 CarbonylContact O-C 3.47Å; G442-S476 WeakPolarHBondContact O-CB 3.27Å; G442-S476 PolarHBondContact O-OG 3.47Å; D443-S476 VanDerWaalsContact CA-O 3.28Å; D443-S476 WeakPolarHBondContact CA-O 3.43Å; D443-S476 WeakPolarHBondContact CB-O 3.33Å; S474-S476 PolarHBondContact O-N 3.42Å; S474-S476 VanDerWaalsContact O-N 3.16Å; S474-S476 PolarHBondContact OG-N 2.79Å; S474-S476 PolarHBondContact OG-OG 2.75Å
477	L	83.6	Confident	84.5	Confident	11 Å²	11	48.4 Å²	48.4	6%	0.058	28%	0.281	C	S	.	.	S	Bend	trans	-108.5	128.1	176.2	-179.1	64.4	0	0	0	110.3	D443 P445 I448 V471 G475 K481 I485	D443-L477 WeakPolarHBondContact O-CD1 3.42Å; P445-L477 HydrophobicContact CG-CD1 3.99Å; I448-L477 HydrophobicContact CD1-CD2 4.19Å; V471-L477 HydrophobicContact CG1-CD2 4.28Å; G475-L477 VanDerWaalsContact C-N 3.27Å; G475-L477 PolarHBondContact O-N 2.68Å; L477-K481 HydrophobicContact CD1-CB 4.02Å; L477-I485 HydrophobicContact CD2-CD1 3.35Å; L477-I485 HydrophobicContact CD2-CG1 4.38Å
478	S	81.5	Confident	84.4	Confident	41 Å²	41	53.4 Å²	53.4	29%	0.287	30%	0.3	S	S	.	.			trans	-60.8	130.8	172.9	52.8	0	0	0	0	111	E480 K481 S482	S478-E480 VanDerWaalsContact C-N 3.29Å; S478-E480 PolarHBondContact O-N 3.34Å; S478-K481 PolarHBondContact O-N 3.12Å; S478-K481 WeakPolarHBondContact OG-CD 3.21Å; S478-K481 WeakPolarHBondContact OG-CG 3.37Å; S478-S482 PolarHBondContact O-N 3.27Å
479	P	77.3	Confident	84.3	Confident	80 Å²	80	53.4 Å²	53.4	52%	0.519	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-49.5	-45.5	-177.8	-31.1	36.4	0	0	0	113.9	K481 S482 F513	P479-K481 PolarHBondContact O-N 3.24Å; P479-K481 VanDerWaalsContact O-N 3.08Å; P479-S482 VanDerWaalsContact O-CB 3.32Å; P479-S482 WeakPolarHBondContact O-CB 3.45Å; P479-S482 PolarHBondContact O-N 3.08Å; P479-S482 PolarHBondContact O-OG 3.32Å; P479-F513 VanDerWaalsContact O-CE1 3.26Å; P479-F513 WeakPolarHBondContact O-CE1 3.46Å; P479-F513 WeakPolarHBondContact O-CZ 3.33Å
480	E	78.5	Confident	84.2	Confident	157 Å²	157	51 Å²	51	73%	0.734	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-46.2	-39.4	175.3	-64.2	159.7	-156.8	0	0	114	S478	S478-E480 VanDerWaalsContact C-N 3.29Å; S478-E480 PolarHBondContact O-N 3.34Å
481	K	80.4	Confident	84	Confident	124 Å²	124	48.7 Å²	48.7	54%	0.539	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-90.4	-5.7	-178.1	-60.6	-178.6	-169.8	169.1	0	113.4	P445 L477 S478 P479 G483	P445-K481 HydrophobicContact CG-CB 3.82Å; P445-K481 WeakPolarHBondContact CG-O 3.49Å; L477-K481 HydrophobicContact CD1-CB 4.02Å; S478-K481 PolarHBondContact O-N 3.12Å; S478-K481 WeakPolarHBondContact OG-CD 3.21Å; S478-K481 WeakPolarHBondContact OG-CG 3.37Å; P479-K481 PolarHBondContact O-N 3.24Å; P479-K481 VanDerWaalsContact O-N 3.08Å; K481-G483 VanDerWaalsContact C-N 3.32Å; K481-G483 PolarHBondContact O-N 3.19Å
482	S	84.7	Confident	84	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.042	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-82	-4.9	-176.3	74.5	0	0	0	0	114.3	S478 P479 E484 I485 W486 F513	S478-S482 PolarHBondContact O-N 3.27Å; P479-S482 VanDerWaalsContact O-CB 3.32Å; P479-S482 WeakPolarHBondContact O-CB 3.45Å; P479-S482 PolarHBondContact O-N 3.08Å; P479-S482 PolarHBondContact O-OG 3.32Å; S482-E484 VanDerWaalsContact C-N 3.31Å; S482-E484 PolarHBondContact O-N 2.96Å; S482-I485 WeakPolarHBondContact O-CA 3.41Å; S482-I485 WeakPolarHBondContact O-CB 3.44Å; S482-I485 PolarHBondContact O-N 3.09Å; S482-W486 VanDerWaalsContact O-CD1 3.29Å; S482-W486 PolarHBondContact O-N 2.88Å; S482-W486 VanDerWaalsContact OG-CD1 3.25Å; S482-W486 PolarHBondContact OG-NE1 3.42Å; S482-F513 WeakPolarHBondContact OG-CZ 3.32Å
483	G	83.1	Confident	84.1	Confident	18 Å²	18	47.9 Å²	47.9	19%	0.186	29%	0.285	C	S	.	.	H	α-helix	trans	-57.5	-39	-170.1	0	0	0	0	0	114.1	K481 I485 W486 A487	K481-G483 VanDerWaalsContact C-N 3.32Å; K481-G483 PolarHBondContact O-N 3.19Å; G483-I485 VanDerWaalsContact C-N 3.33Å; G483-I485 PolarHBondContact O-N 3.23Å; G483-W486 PolarHBondContact O-N 3.02Å; G483-A487 PolarHBondContact O-N 3.33Å
484	E	83.4	Confident	84.1	Confident	49 Å²	49	45.9 Å²	45.9	23%	0.229	28%	0.275	C	S	.	.	H	α-helix	trans	-68.3	-32	176	-64.6	-176	173.2	0	0	112.5	L449 S482 A487 R488 K554	L449-E484 HydrophobicContact CD1-CB 3.94Å; L449-E484 WeakPolarHBondContact CD1-OE2 3.42Å; L449-E484 HydrophobicContact CD2-CB 4.44Å; S482-E484 VanDerWaalsContact C-N 3.31Å; S482-E484 PolarHBondContact O-N 2.96Å; E484-A487 PolarHBondContact O-N 3.35Å; E484-R488 WeakPolarHBondContact O-CG 2.8Å; E484-R488 PolarHBondContact O-N 3.09Å; E484-K554 VanDerWaalsContact OE1-CD 3.29Å; E484-K554 WeakPolarHBondContact OE1-CD 3.37Å; E484-K554 WeakPolarHBondContact OE1-CE 3.45Å; E484-K554 IonicContact OE1-NZ 3.72Å; E484-K554 PolarHBondContact OE1-NZ 3.39Å; E484-K554 IonicContact OE2-NZ 3.24Å; E484-K554 PolarHBondContact OE2-NZ 3.08Å
485	I	87.9	Confident	84.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-71	-42.4	176.6	-54.6	-171.5	0	0	0	110.1	I448 L449 I452 F468 V471 L472 L477 S482 G483 A487 R488 F489	I448-I485 HydrophobicContact CB-CD1 3.97Å; I448-I485 HydrophobicContact CD1-CD1 4.02Å; I448-I485 HydrophobicContact CG2-CD1 3.74Å; L449-I485 HydrophobicContact CD2-CG1 4.12Å; L449-I485 HydrophobicContact CG-CG1 4.34Å; I452-I485 HydrophobicContact CD1-CG2 3.9Å; F468-I485 HydrophobicContact CD1-CG2 3.96Å; F468-I485 HydrophobicContact CE1-CG2 4.18Å; V471-I485 HydrophobicContact CG1-CD1 3.8Å; V471-I485 HydrophobicContact CG1-CG2 4.46Å; L472-I485 HydrophobicContact CD1-CG2 4.45Å; L472-I485 HydrophobicContact CD2-CB 4.31Å; L472-I485 HydrophobicContact CD2-CG2 3.95Å; L472-I485 HydrophobicContact CG-CG2 4.27Å; L477-I485 HydrophobicContact CD2-CD1 3.35Å; L477-I485 HydrophobicContact CD2-CG1 4.38Å; S482-I485 WeakPolarHBondContact O-CA 3.41Å; S482-I485 WeakPolarHBondContact O-CB 3.44Å; S482-I485 PolarHBondContact O-N 3.09Å; G483-I485 VanDerWaalsContact C-N 3.33Å; G483-I485 PolarHBondContact O-N 3.23Å; I485-A487 VanDerWaalsContact C-N 3.33Å; I485-A487 PolarHBondContact O-N 2.84Å; I485-R488 PolarHBondContact O-N 3.3Å; I485-F489 WeakPolarHBondContact O-CB 3.28Å; I485-F489 PolarHBondContact O-N 2.91Å
486	W	87.7	Confident	84.7	Confident	13 Å²	13	48.7 Å²	48.7	5%	0.049	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-38.3	172.6	-73.9	100.3	0	0	0	112.7	L472 S482 G483 F489 L490 V505 R508 R509 A512 F513	L472-W486 HydrophobicContact CB-CZ2 4.16Å; L472-W486 HydrophobicContact CD1-CD2 3.9Å; L472-W486 HydrophobicContact CD1-CE3 3.97Å; L472-W486 HydrophobicContact CD1-CH2 3.92Å; L472-W486 HydrophobicContact CD1-CZ2 3.88Å; L472-W486 HydrophobicContact CD1-CZ3 3.98Å; L472-W486 HydrophobicContact CD2-CD2 4.33Å; L472-W486 HydrophobicContact CD2-CG 4.46Å; L472-W486 HydrophobicContact CD2-CZ2 4.16Å; L472-W486 HydrophobicContact CG-CZ2 4.28Å; S482-W486 VanDerWaalsContact O-CD1 3.29Å; S482-W486 PolarHBondContact O-N 2.88Å; S482-W486 VanDerWaalsContact OG-CD1 3.25Å; S482-W486 PolarHBondContact OG-NE1 3.42Å; G483-W486 PolarHBondContact O-N 3.02Å; W486-F489 HydrophobicContact CE3-CD1 4.21Å; W486-F489 HydrophobicContact CZ3-CD1 4.18Å; W486-F489 HydrophobicContact CZ3-CE1 4.47Å; W486-F489 PolarHBondContact O-N 3.44Å; W486-L490 WeakPolarHBondContact O-CG 3.44Å; W486-L490 PolarHBondContact O-N 2.88Å; W486-V505 HydrophobicContact CE3-CG1 3.9Å; W486-V505 HydrophobicContact CZ3-CG1 4.02Å; W486-R508 HydrophobicContact CH2-CB 3.6Å; W486-R508 HydrophobicContact CZ3-CB 3.71Å; W486-R509 HydrophobicContact CB-CB 4.35Å; W486-R509 HydrophobicContact CB-CG 3.86Å; W486-R509 HydrophobicContact CD2-CB 4.05Å; W486-R509 HydrophobicContact CD2-CG 4.38Å; W486-R509 HydrophobicContact CE3-CB 3.85Å; W486-R509 HydrophobicContact CG-CB 4.31Å; W486-R509 HydrophobicContact CG-CG 4.11Å; W486-A512 HydrophobicContact CZ2-CB 4.28Å; W486-F513 AromaticContact CD1-CE2 3.51Å; W486-F513 HydrophobicContact CG-CE2 4.27Å; W486-F513 AromaticContact NE1-CE2 3.88Å
487	A	84.3	Confident	84.9	Confident	25 Å²	25	47.7 Å²	47.7	21%	0.207	27%	0.267	C	S	.	.	H	α-helix	trans	-63.7	-43.3	174.4	0	0	0	0	0	111.9	G483 E484 I485 L490 A491	G483-A487 PolarHBondContact O-N 3.33Å; E484-A487 PolarHBondContact O-N 3.35Å; I485-A487 VanDerWaalsContact C-N 3.33Å; I485-A487 PolarHBondContact O-N 2.84Å; A487-L490 PolarHBondContact O-N 3.09Å; A487-A491 PolarHBondContact O-N 2.99Å; A487-A491 VanDerWaalsContact O-N 3.09Å
488	R	86.3	Confident	85	Confident	108 Å²	108	51.6 Å²	51.6	41%	0.408	29%	0.288	S	S	.	.	H	α-helix	trans	-67.1	-34.3	173.2	-69.1	-57	-174.8	86.9	2.8	113	L449 D453 F468 E484 I485 A491 F492	L449-R488 HydrophobicContact CD2-CB 4.3Å; L449-R488 HydrophobicContact CD2-CG 3.6Å; D453-R488 IonicContact OD1-CZ 3.62Å; D453-R488 IonicContact OD1-NH1 2.99Å; D453-R488 PolarHBondContact OD1-NH1 3.36Å; D453-R488 IonicContact OD2-CZ 2.76Å; D453-R488 IonicContact OD2-NH1 2.88Å; D453-R488 PolarHBondContact OD2-NH1 2.91Å; D453-R488 IonicContact OD2-NH2 3.34Å; F468-R488 HydrophobicContact CE1-CB 4.17Å; F468-R488 HydrophobicContact CZ-CB 4.23Å; E484-R488 WeakPolarHBondContact O-CG 2.8Å; E484-R488 PolarHBondContact O-N 3.09Å; I485-R488 PolarHBondContact O-N 3.3Å; R488-A491 PolarHBondContact O-N 3.1Å; R488-F492 WeakPolarHBondContact O-CB 3.12Å; R488-F492 PolarHBondContact O-N 2.9Å
489	F	89.3	Confident	85.3	Confident	1 Å²	1	54.7 Å²	54.7	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-66.4	-40.9	177.2	-169.1	-164.8	0	0	0	111.6	F468 L472 I485 W486 F492 E493 V505	F468-F489 HydrophobicContact CB-CD1 4.21Å; F468-F489 HydrophobicContact CB-CD2 3.9Å; F468-F489 HydrophobicContact CB-CE1 4.27Å; F468-F489 HydrophobicContact CB-CE2 3.98Å; F468-F489 HydrophobicContact CB-CG 4.03Å; F468-F489 HydrophobicContact CB-CZ 4.17Å; F468-F489 HydrophobicContact CD1-CB 3.6Å; F468-F489 HydrophobicContact CD1-CD2 4.08Å; F468-F489 AromaticContact CD1-CG 3.83Å; F468-F489 HydrophobicContact CD1-CG 3.83Å; F468-F489 HydrophobicContact CD2-CB 4.49Å; F468-F489 AromaticContact CD2-CD2 3.56Å; F468-F489 HydrophobicContact CD2-CD2 3.56Å; F468-F489 HydrophobicContact CD2-CE2 4.05Å; F468-F489 HydrophobicContact CD2-CG 4.18Å; F468-F489 HydrophobicContact CE1-CB 3.6Å; F468-F489 HydrophobicContact CE1-CD2 4.46Å; F468-F489 HydrophobicContact CE1-CG 4.25Å; F468-F489 HydrophobicContact CE2-CB 4.5Å; F468-F489 AromaticContact CE2-CD2 4Å; F468-F489 HydrophobicContact CE2-CD2 4Å; F468-F489 HydrophobicContact CG-CB 4.07Å; F468-F489 HydrophobicContact CG-CD1 4.43Å; F468-F489 AromaticContact CG-CD2 3.61Å; F468-F489 HydrophobicContact CG-CD2 3.61Å; F468-F489 HydrophobicContact CG-CE2 4.14Å; F468-F489 AromaticContact CG-CG 3.79Å; F468-F489 HydrophobicContact CG-CG 3.79Å; F468-F489 HydrophobicContact CZ-CB 4.08Å; F468-F489 HydrophobicContact CZ-CD2 4.42Å; L472-F489 HydrophobicContact CD1-CD1 3.75Å; L472-F489 HydrophobicContact CD1-CE1 4.27Å; I485-F489 WeakPolarHBondContact O-CB 3.28Å; I485-F489 PolarHBondContact O-N 2.91Å; W486-F489 HydrophobicContact CE3-CD1 4.21Å; W486-F489 HydrophobicContact CZ3-CD1 4.18Å; W486-F489 HydrophobicContact CZ3-CE1 4.47Å; W486-F489 PolarHBondContact O-N 3.44Å; F489-F492 HydrophobicContact CD2-CD1 4.22Å; F489-F492 HydrophobicContact CE2-CD1 4.45Å; F489-F492 PolarHBondContact O-N 2.73Å; F489-E493 HydrophobicContact CD2-CG 4.01Å; F489-E493 HydrophobicContact CE2-CG 3.77Å; F489-E493 WeakPolarHBondContact CE2-OE1 3.29Å; F489-E493 PolarHBondContact O-N 2.82Å; F489-V505 HydrophobicContact CB-CG1 4.35Å; F489-V505 HydrophobicContact CD1-CB 4.49Å; F489-V505 HydrophobicContact CD1-CG1 3.59Å; F489-V505 HydrophobicContact CD1-CG2 3.98Å; F489-V505 HydrophobicContact CD2-CG2 4.49Å; F489-V505 HydrophobicContact CE1-CB 4.49Å; F489-V505 HydrophobicContact CE1-CG1 4.03Å; F489-V505 HydrophobicContact CE1-CG2 3.6Å; F489-V505 HydrophobicContact CE2-CG2 4.14Å; F489-V505 HydrophobicContact CG-CG1 3.98Å; F489-V505 HydrophobicContact CG-CG2 4.41Å; F489-V505 HydrophobicContact CZ-CG2 3.68Å
490	L	87	Confident	85.9	Confident	12 Å²	12	52.9 Å²	52.9	6%	0.063	29%	0.292	C	S	.	.	H	α-helix	trans	-64	-44.5	172.8	-74.8	166.9	0	0	0	112.4	W486 A487 F492 E493 S494 I502 V505 E506 R509	W486-L490 WeakPolarHBondContact O-CG 3.44Å; W486-L490 PolarHBondContact O-N 2.88Å; A487-L490 PolarHBondContact O-N 3.09Å; L490-F492 VanDerWaalsContact C-N 3.29Å; L490-F492 PolarHBondContact O-N 3.27Å; L490-E493 PolarHBondContact O-N 3.13Å; L490-S494 VanDerWaalsContact O-CB 3.27Å; L490-S494 WeakPolarHBondContact O-CB 3.22Å; L490-S494 PolarHBondContact O-N 3.19Å; L490-I502 HydrophobicContact CD2-CG2 4.32Å; L490-V505 HydrophobicContact CD2-CB 3.83Å; L490-V505 HydrophobicContact CD2-CG1 3.59Å; L490-V505 HydrophobicContact CG-CG1 3.77Å; L490-E506 HydrophobicContact CD2-CB 4.47Å; L490-E506 HydrophobicContact CD2-CG 3.59Å; L490-R509 VanDerWaalsContact CD1-NH1 3.29Å
491	A	86.3	Confident	86.4	Confident	48 Å²	48	46.2 Å²	46.2	40%	0.397	26%	0.263	S	S	.	.	H	α-helix	trans	-61.6	-37.9	175.7	0	0	0	0	0	112.2	A487 R488 N495	A487-A491 PolarHBondContact O-N 2.99Å; A487-A491 VanDerWaalsContact O-N 3.09Å; R488-A491 PolarHBondContact O-N 3.1Å; A491-N495 VanDerWaalsContact O-CG 3.23Å; A491-N495 PolarHBondContact O-N 3.18Å; A491-N495 PolarHBondContact O-ND2 3.1Å
492	F	88.3	Confident	86.8	Confident	18 Å²	18	41.1 Å²	41.1	8%	0.079	24%	0.242	C	C	.	.	H	α-helix	trans	-65.3	-53.2	175.2	172.1	-102.2	0	0	0	112.2	D461 T464 R465 F468 R488 F489 L490 S494 N495 I496	D461-F492 HydrophobicContact CB-CZ 4.41Å; D461-F492 WeakPolarHBondContact O-CZ 3.33Å; T464-F492 HydrophobicContact CG2-CD2 3.9Å; T464-F492 HydrophobicContact CG2-CE1 4.37Å; T464-F492 HydrophobicContact CG2-CE2 3.55Å; T464-F492 HydrophobicContact CG2-CG 4.46Å; T464-F492 HydrophobicContact CG2-CZ 3.79Å; R465-F492 HydrophobicContact CB-CE1 4.1Å; F468-F492 HydrophobicContact CD2-CD1 4.01Å; F468-F492 HydrophobicContact CD2-CE1 4.35Å; F468-F492 HydrophobicContact CD2-CG 4.45Å; F468-F492 HydrophobicContact CE2-CB 3.76Å; F468-F492 AromaticContact CE2-CD1 3.66Å; F468-F492 HydrophobicContact CE2-CD1 3.66Å; F468-F492 HydrophobicContact CE2-CD2 4.3Å; F468-F492 HydrophobicContact CE2-CE1 4.3Å; F468-F492 AromaticContact CE2-CG 3.65Å; F468-F492 HydrophobicContact CE2-CG 3.65Å; F468-F492 HydrophobicContact CZ-CB 4.09Å; F468-F492 HydrophobicContact CZ-CG 4.45Å; R488-F492 WeakPolarHBondContact O-CB 3.12Å; R488-F492 PolarHBondContact O-N 2.9Å; F489-F492 HydrophobicContact CD2-CD1 4.22Å; F489-F492 HydrophobicContact CE2-CD1 4.45Å; F489-F492 PolarHBondContact O-N 2.73Å; L490-F492 VanDerWaalsContact C-N 3.29Å; L490-F492 PolarHBondContact O-N 3.27Å; F492-S494 PolarHBondContact O-N 3.19Å; F492-N495 PolarHBondContact O-N 3.5Å; F492-I496 HydrophobicContact CD1-CD1 4.41Å; F492-I496 HydrophobicContact CD2-CD1 4.36Å; F492-I496 HydrophobicContact CD2-CG1 4.32Å; F492-I496 HydrophobicContact CE1-CD1 3.7Å; F492-I496 HydrophobicContact CE1-CG1 4.26Å; F492-I496 HydrophobicContact CE2-CD1 3.62Å; F492-I496 HydrophobicContact CE2-CG1 4.04Å; F492-I496 HydrophobicContact CZ-CD1 3.25Å; F492-I496 HydrophobicContact CZ-CG1 4.03Å; F492-I496 VanDerWaalsContact O-CG1 3.28Å; F492-I496 WeakPolarHBondContact O-CG1 3.4Å; F492-I496 PolarHBondContact O-N 3.35Å
493	E	88.6	Confident	86.9	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.019	26%	0.255	C	S	.	.	H	α-helix	trans	-63.6	-28.4	176.4	-69.5	-63.9	161.3	0	0	112.6	R465 F489 L490 N495 G497 S501 I502 V505	R465-E493 IonicContact CZ-OE1 3.87Å; R465-E493 VanDerWaalsContact CZ-OE1 3.24Å; R465-E493 IonicContact CZ-OE2 2.69Å; R465-E493 IonicContact NE-OE1 3.92Å; R465-E493 PolarHBondContact NE-OE1 2.94Å; R465-E493 IonicContact NE-OE2 3.37Å; R465-E493 VanDerWaalsContact NH2-CD 3.3Å; R465-E493 IonicContact NH2-OE1 2.93Å; R465-E493 PolarHBondContact NH2-OE1 3.36Å; R465-E493 IonicContact NH2-OE2 2.72Å; R465-E493 PolarHBondContact NH2-OE2 2.86Å; F489-E493 HydrophobicContact CD2-CG 4.01Å; F489-E493 HydrophobicContact CE2-CG 3.77Å; F489-E493 WeakPolarHBondContact CE2-OE1 3.29Å; F489-E493 PolarHBondContact O-N 2.82Å; L490-E493 PolarHBondContact O-N 3.13Å; E493-N495 VanDerWaalsContact C-N 3.3Å; E493-N495 PolarHBondContact O-N 3Å; E493-G497 WeakPolarHBondContact O-CA 3.5Å; E493-G497 PolarHBondContact O-N 3.26Å; E493-S501 VanDerWaalsContact OE2-CB 3.29Å; E493-S501 WeakPolarHBondContact OE2-CB 3.44Å; E493-S501 PolarHBondContact OE2-OG 2.87Å; E493-I502 HydrophobicContact CB-CG1 4.05Å; E493-V505 HydrophobicContact CG-CG2 4.1Å
494	S	87.8	Confident	87.2	Confident	57 Å²	57	49 Å²	49	40%	0.399	27%	0.273	S	S	.	.	H	α-helix	trans	-70.8	-21.9	173.7	-168.2	0	0	0	0	114.1	L490 F492	L490-S494 VanDerWaalsContact O-CB 3.27Å; L490-S494 WeakPolarHBondContact O-CB 3.22Å; L490-S494 PolarHBondContact O-N 3.19Å; F492-S494 PolarHBondContact O-N 3.19Å
495	N	85.5	Confident	87.5	Confident	127 Å²	127	47 Å²	47	68%	0.679	26%	0.264	S	S	*	.	H	α-helix	trans	-91.8	-34.6	-179.4	-72.9	-20.1	0	0	0	112.9	A491 F492 E493	A491-N495 VanDerWaalsContact O-CG 3.23Å; A491-N495 PolarHBondContact O-N 3.18Å; A491-N495 PolarHBondContact O-ND2 3.1Å; F492-N495 PolarHBondContact O-N 3.5Å; E493-N495 VanDerWaalsContact C-N 3.3Å; E493-N495 PolarHBondContact O-N 3Å
496	I	86.2	Confident	87.4	Confident	67 Å²	67	48.9 Å²	48.9	34%	0.344	27%	0.273	S	S	.	.	H	α-helix	trans	-126.5	-12.1	-172.3	64.1	140.2	0	0	0	115	D461 F492	D461-I496 HydrophobicContact CB-CD1 3.59Å; F492-I496 HydrophobicContact CD1-CD1 4.41Å; F492-I496 HydrophobicContact CD2-CD1 4.36Å; F492-I496 HydrophobicContact CD2-CG1 4.32Å; F492-I496 HydrophobicContact CE1-CD1 3.7Å; F492-I496 HydrophobicContact CE1-CG1 4.26Å; F492-I496 HydrophobicContact CE2-CD1 3.62Å; F492-I496 HydrophobicContact CE2-CG1 4.04Å; F492-I496 HydrophobicContact CZ-CD1 3.25Å; F492-I496 HydrophobicContact CZ-CG1 4.03Å; F492-I496 VanDerWaalsContact O-CG1 3.28Å; F492-I496 WeakPolarHBondContact O-CG1 3.4Å; F492-I496 PolarHBondContact O-N 3.35Å
497	G	84.6	Confident	87.4	Confident	36 Å²	36	55.5 Å²	55.5	37%	0.371	30%	0.298	S	S	.	.	S	Bend	trans	-93.6	-165.1	-172.7	0	0	0	0	0	113.2	E493	E493-G497 WeakPolarHBondContact O-CA 3.5Å; E493-G497 PolarHBondContact O-N 3.26Å
498	D	87.1	Confident	87.7	Confident	93 Å²	93	58.5 Å²	58.5	50%	0.497	30%	0.304	S	S	.	.			trans	-116.4	164.8	172.5	75.3	-18.9	0	0	0	110.7	A500 S501 I502	D498-A500 PolarHBondContact O-N 3.21Å; D498-A500 VanDerWaalsContact O-N 3.08Å; D498-A500 PolarHBondContact OD1-N 3.19Å; D498-A500 WeakPolarHBondContact OD2-CB 3.37Å; D498-S501 PolarHBondContact N-OG 2.86Å; D498-S501 PolarHBondContact O-N 3.28Å; D498-S501 PolarHBondContact O-OG 3.5Å; D498-S501 WeakPolarHBondContact OD1-CB 3.44Å; D498-S501 PolarHBondContact OD1-N 3.18Å; D498-I502 WeakPolarHBondContact O-CG1 3.28Å; D498-I502 PolarHBondContact O-N 3.37Å; D498-I502 VanDerWaalsContact O-N 3.12Å
499	L	87.2	Confident	87.7	Confident	106 Å²	106	53.6 Å²	53.6	56%	0.555	29%	0.285	S	S	*	.	H	α-helix	trans	-58.4	-27.6	179	-176.6	58.6	0	0	0	112	L503	L499-L503 HydrophobicContact CD1-CD1 4.32Å; L499-L503 HydrophobicContact CD1-CG 4.2Å; L499-L503 HydrophobicContact CG-CD1 3.98Å; L499-L503 HydrophobicContact CG-CG 4.36Å; L499-L503 WeakPolarHBondContact O-CB 3.35Å; L499-L503 WeakPolarHBondContact O-CD1 3.47Å; L499-L503 WeakPolarHBondContact O-CG 3.39Å; L499-L503 PolarHBondContact O-N 3.19Å
500	A	89.8	Confident	87.4	Confident	41 Å²	41	56.1 Å²	56.1	34%	0.339	30%	0.296	S	S	.	.	H	α-helix	trans	-71.1	-35.6	176.3	0	0	0	0	0	113.1	D498 K504	D498-A500 PolarHBondContact O-N 3.21Å; D498-A500 VanDerWaalsContact O-N 3.08Å; D498-A500 PolarHBondContact OD1-N 3.19Å; D498-A500 WeakPolarHBondContact OD2-CB 3.37Å; A500-K504 WeakPolarHBondContact O-CD 3.2Å; A500-K504 WeakPolarHBondContact O-CG 3.35Å; A500-K504 PolarHBondContact O-N 3.22Å
501	S	89.1	Confident	87.4	Confident	18 Å²	18	60.7 Å²	60.7	13%	0.126	32%	0.324	C	S	.	.	H	α-helix	trans	-68.7	-46.8	173.2	77.9	0	0	0	0	110.7	E493 D498 L503 K504 V505	E493-S501 VanDerWaalsContact OE2-CB 3.29Å; E493-S501 WeakPolarHBondContact OE2-CB 3.44Å; E493-S501 PolarHBondContact OE2-OG 2.87Å; D498-S501 PolarHBondContact N-OG 2.86Å; D498-S501 PolarHBondContact O-N 3.28Å; D498-S501 PolarHBondContact O-OG 3.5Å; D498-S501 WeakPolarHBondContact OD1-CB 3.44Å; D498-S501 PolarHBondContact OD1-N 3.18Å; S501-L503 PolarHBondContact O-N 3.16Å; S501-K504 WeakPolarHBondContact O-CB 3.29Å; S501-K504 PolarHBondContact O-N 3.06Å; S501-V505 PolarHBondContact O-N 3.29Å
502	I	88.1	Confident	87.2	Confident	16 Å²	16	60.3 Å²	60.3	8%	0.082	32%	0.322	C	S	.	.	H	α-helix	trans	-54.8	-52.7	176.3	-58.8	168	0	0	0	110.3	L490 E493 D498 K504 V505 E506 R528	L490-I502 HydrophobicContact CD2-CG2 4.32Å; E493-I502 HydrophobicContact CB-CG1 4.05Å; D498-I502 WeakPolarHBondContact O-CG1 3.28Å; D498-I502 PolarHBondContact O-N 3.37Å; D498-I502 VanDerWaalsContact O-N 3.12Å; I502-K504 PolarHBondContact O-N 2.83Å; I502-V505 PolarHBondContact O-N 3.36Å; I502-V505 VanDerWaalsContact O-N 3.08Å; I502-E506 HydrophobicContact CG2-CG 4.27Å; I502-E506 WeakPolarHBondContact O-CG 3.44Å; I502-E506 PolarHBondContact O-N 2.84Å; I502-R528 HydrophobicContact CG2-CG 4.3Å
503	L	87.8	Confident	87	Confident	63 Å²	63	60.1 Å²	60.1	33%	0.33	32%	0.321	S	S	.	.	H	α-helix	trans	-62.7	-26.2	178.7	-70.5	169.2	0	0	0	113.4	L499 S501 E506 R507	L499-L503 HydrophobicContact CD1-CD1 4.32Å; L499-L503 HydrophobicContact CD1-CG 4.2Å; L499-L503 HydrophobicContact CG-CD1 3.98Å; L499-L503 HydrophobicContact CG-CG 4.36Å; L499-L503 WeakPolarHBondContact O-CB 3.35Å; L499-L503 WeakPolarHBondContact O-CD1 3.47Å; L499-L503 WeakPolarHBondContact O-CG 3.39Å; L499-L503 PolarHBondContact O-N 3.19Å; S501-L503 PolarHBondContact O-N 3.16Å; L503-E506 WeakPolarHBondContact CD2-OE2 3.15Å; L503-R507 WeakPolarHBondContact O-CG 3.47Å; L503-R507 PolarHBondContact O-N 2.95Å; L503-R507 PolarHBondContact O-NE 3.26Å; L503-R507 PolarHBondContact O-NH2 3.29Å
504	K	89.6	Confident	86.6	Confident	128 Å²	128	64.4 Å²	64.4	56%	0.557	34%	0.339	S	S	*	.	H	α-helix	trans	-73.3	-42.5	172.7	-74.1	164	-174.2	170.3	0	111	A500 S501 I502 R508	A500-K504 WeakPolarHBondContact O-CD 3.2Å; A500-K504 WeakPolarHBondContact O-CG 3.35Å; A500-K504 PolarHBondContact O-N 3.22Å; S501-K504 WeakPolarHBondContact O-CB 3.29Å; S501-K504 PolarHBondContact O-N 3.06Å; I502-K504 PolarHBondContact O-N 2.83Å; K504-R508 WeakPolarHBondContact O-CG 3.45Å; K504-R508 PolarHBondContact O-N 3.34Å; K504-R508 VanDerWaalsContact O-N 3.15Å
505	V	89.7	Confident	86.1	Confident	6 Å²	6	69 Å²	69	4%	0.036	36%	0.359	C	S	.	.	H	α-helix	trans	-68	-43	177.4	179.6	0	0	0	0	111.1	W486 F489 L490 E493 S501 I502 R507 R508 R509	W486-V505 HydrophobicContact CE3-CG1 3.9Å; W486-V505 HydrophobicContact CZ3-CG1 4.02Å; F489-V505 HydrophobicContact CB-CG1 4.35Å; F489-V505 HydrophobicContact CD1-CB 4.49Å; F489-V505 HydrophobicContact CD1-CG1 3.59Å; F489-V505 HydrophobicContact CD1-CG2 3.98Å; F489-V505 HydrophobicContact CD2-CG2 4.49Å; F489-V505 HydrophobicContact CE1-CB 4.49Å; F489-V505 HydrophobicContact CE1-CG1 4.03Å; F489-V505 HydrophobicContact CE1-CG2 3.6Å; F489-V505 HydrophobicContact CE2-CG2 4.14Å; F489-V505 HydrophobicContact CG-CG1 3.98Å; F489-V505 HydrophobicContact CG-CG2 4.41Å; F489-V505 HydrophobicContact CZ-CG2 3.68Å; L490-V505 HydrophobicContact CD2-CB 3.83Å; L490-V505 HydrophobicContact CD2-CG1 3.59Å; L490-V505 HydrophobicContact CG-CG1 3.77Å; E493-V505 HydrophobicContact CG-CG2 4.1Å; S501-V505 PolarHBondContact O-N 3.29Å; I502-V505 PolarHBondContact O-N 3.36Å; I502-V505 VanDerWaalsContact O-N 3.08Å; V505-R507 PolarHBondContact O-N 3Å; V505-R508 PolarHBondContact O-N 2.53Å; V505-R509 WeakPolarHBondContact O-CB 3.47Å; V505-R509 PolarHBondContact O-N 3Å
506	E	86.1	Confident	85.6	Confident	40 Å²	40	68 Å²	68	19%	0.187	35%	0.35	C	S	.	.	H	α-helix	trans	-56.3	-48.7	175.8	-74.6	-178.7	162.1	0	0	111.7	L490 I502 L503 R508 R509 F510 R528	L490-E506 HydrophobicContact CD2-CB 4.47Å; L490-E506 HydrophobicContact CD2-CG 3.59Å; I502-E506 HydrophobicContact CG2-CG 4.27Å; I502-E506 WeakPolarHBondContact O-CG 3.44Å; I502-E506 PolarHBondContact O-N 2.84Å; L503-E506 WeakPolarHBondContact CD2-OE2 3.15Å; E506-R508 PolarHBondContact O-N 3.2Å; E506-R509 PolarHBondContact O-N 3.49Å; E506-F510 WeakPolarHBondContact O-CB 3.41Å; E506-F510 PolarHBondContact O-N 3Å; E506-R528 VanDerWaalsContact OE1-CD 3.3Å; E506-R528 WeakPolarHBondContact OE1-CD 3.35Å; E506-R528 IonicContact OE1-CZ 3.84Å; E506-R528 IonicContact OE1-NE 3.73Å; E506-R528 IonicContact OE1-NH1 2.7Å; E506-R528 PolarHBondContact OE1-NH1 3.39Å; E506-R528 IonicContact OE2-NH1 3.57Å; E506-R528 PolarHBondContact OE2-NH1 2.95Å
507	R	87.3	Confident	85	Confident	152 Å²	152	66.6 Å²	66.6	57%	0.574	34%	0.341	S	S	*	.	H	α-helix	trans	-62.3	-39.4	177.2	-78.2	176.4	-70.3	-151.9	-2.3	112.6	L503 V505 T511	L503-R507 WeakPolarHBondContact O-CG 3.47Å; L503-R507 PolarHBondContact O-N 2.95Å; L503-R507 PolarHBondContact O-NE 3.26Å; L503-R507 PolarHBondContact O-NH2 3.29Å; V505-R507 PolarHBondContact O-N 3Å; R507-T511 PolarHBondContact O-N 2.89Å; R507-T511 PolarHBondContact O-OG1 2.91Å
508	R	89.1	Confident	84.7	Confident	88 Å²	88	70.1 Å²	70.1	33%	0.332	35%	0.348	S	S	.	.	H	α-helix	trans	-68.8	-42.1	176.3	-74.3	174	66	-161.2	5.9	112.4	E469 W486 K504 V505 E506 T511 A512	E469-R508 IonicContact OE1-CZ 2.57Å; E469-R508 IonicContact OE1-NH1 3.34Å; E469-R508 PolarHBondContact OE1-NH1 3.2Å; E469-R508 IonicContact OE2-CZ 3.73Å; E469-R508 VanDerWaalsContact OE2-CZ 3.25Å; E469-R508 IonicContact OE2-NH1 3.67Å; E469-R508 PolarHBondContact OE2-NH1 3.06Å; E469-R508 IonicContact OE2-NH2 3.17Å; E469-R508 PolarHBondContact OE2-NH2 3.36Å; W486-R508 HydrophobicContact CH2-CB 3.6Å; W486-R508 HydrophobicContact CZ3-CB 3.71Å; K504-R508 WeakPolarHBondContact O-CG 3.45Å; K504-R508 PolarHBondContact O-N 3.34Å; K504-R508 VanDerWaalsContact O-N 3.15Å; V505-R508 PolarHBondContact O-N 2.53Å; E506-R508 PolarHBondContact O-N 3.2Å; R508-T511 PolarHBondContact O-N 3.31Å; R508-A512 WeakPolarHBondContact O-CB 3.4Å; R508-A512 PolarHBondContact O-N 3.04Å
509	R	86.3	Confident	84.3	Confident	5 Å²	5	68.8 Å²	68.8	2%	0.019	36%	0.356	C	S	.	.	H	α-helix	trans	-58.6	-46.4	173.3	-179	-176.6	174.7	-169.5	-5.9	110.8	W486 L490 V505 E506 A512 F513 Y517 D527	W486-R509 HydrophobicContact CB-CB 4.35Å; W486-R509 HydrophobicContact CB-CG 3.86Å; W486-R509 HydrophobicContact CD2-CB 4.05Å; W486-R509 HydrophobicContact CD2-CG 4.38Å; W486-R509 HydrophobicContact CE3-CB 3.85Å; W486-R509 HydrophobicContact CG-CB 4.31Å; W486-R509 HydrophobicContact CG-CG 4.11Å; L490-R509 VanDerWaalsContact CD1-NH1 3.29Å; V505-R509 WeakPolarHBondContact O-CB 3.47Å; V505-R509 PolarHBondContact O-N 3Å; E506-R509 PolarHBondContact O-N 3.49Å; R509-A512 PolarHBondContact O-N 3.39Å; R509-F513 HydrophobicContact CG-CD2 4.36Å; R509-F513 WeakPolarHBondContact O-CD2 3.3Å; R509-F513 PolarHBondContact O-N 3.49Å; R509-Y517 PolarHBondContact NH2-OH 3.38Å; R509-D527 IonicContact CZ-OD2 3.94Å; R509-D527 VanDerWaalsContact CZ-OD2 3.25Å; R509-D527 IonicContact NH1-OD2 3.74Å; R509-D527 PolarHBondContact NH1-OD2 3.5Å; R509-D527 IonicContact NH2-OD2 3.06Å; R509-D527 PolarHBondContact NH2-OD2 3.39Å
510	F	84.2	Confident	83.9	Confident	54 Å²	54	67.9 Å²	67.9	24%	0.237	35%	0.347	C	S	.	.	H	α-helix	trans	-60.2	-46.5	176.6	-177.7	-94.6	0	0	0	111.8	E506 A512 F513 K514 E521 L524	E506-F510 WeakPolarHBondContact O-CB 3.41Å; E506-F510 PolarHBondContact O-N 3Å; F510-A512 VanDerWaalsContact C-N 3.33Å; F510-A512 PolarHBondContact O-N 2.96Å; F510-F513 CarbonylContact O-C 3.51Å; F510-F513 PolarHBondContact O-N 3.33Å; F510-K514 HydrophobicContact CE1-CG 4.42Å; F510-K514 VanDerWaalsContact O-CA 3.29Å; F510-K514 WeakPolarHBondContact O-CA 3.37Å; F510-K514 PolarHBondContact O-N 2.83Å; F510-E521 HydrophobicContact CE2-CG 3.96Å; F510-L524 HydrophobicContact CD2-CD1 3.96Å
511	T	85.9	Confident	83.4	Confident	107 Å²	107	70.3 Å²	70.3	66%	0.656	35%	0.352	S	S	*	.	H	α-helix	trans	-63	-37.1	176.8	-56.2	0	0	0	0	112.8	R507 R508 F513	R507-T511 PolarHBondContact O-N 2.89Å; R507-T511 PolarHBondContact O-OG1 2.91Å; R508-T511 PolarHBondContact O-N 3.31Å; T511-F513 VanDerWaalsContact C-N 3.29Å; T511-F513 PolarHBondContact O-N 3.44Å
512	A	83.3	Confident	83	Confident	41 Å²	41	73.3 Å²	73.3	34%	0.339	37%	0.369	S	S	.	.	H	α-helix	trans	-71.1	-20.7	-179.7	0	0	0	0	0	114.1	W486 R508 R509 F510	W486-A512 HydrophobicContact CZ2-CB 4.28Å; R508-A512 WeakPolarHBondContact O-CB 3.4Å; R508-A512 PolarHBondContact O-N 3.04Å; R509-A512 PolarHBondContact O-N 3.39Å; F510-A512 VanDerWaalsContact C-N 3.33Å; F510-A512 PolarHBondContact O-N 2.96Å
513	F	83.3	Confident	82.4	Confident	13 Å²	13	73 Å²	73	6%	0.057	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	37.2	-177	-67.9	-82.4	0	0	0	111.6	P479 S482 W486 R509 F510 T511 D515 E516 Y517	P479-F513 VanDerWaalsContact O-CE1 3.26Å; P479-F513 WeakPolarHBondContact O-CE1 3.46Å; P479-F513 WeakPolarHBondContact O-CZ 3.33Å; S482-F513 WeakPolarHBondContact OG-CZ 3.32Å; W486-F513 AromaticContact CD1-CE2 3.51Å; W486-F513 HydrophobicContact CG-CE2 4.27Å; W486-F513 AromaticContact NE1-CE2 3.88Å; R509-F513 HydrophobicContact CG-CD2 4.36Å; R509-F513 WeakPolarHBondContact O-CD2 3.3Å; R509-F513 PolarHBondContact O-N 3.49Å; F510-F513 CarbonylContact O-C 3.51Å; F510-F513 PolarHBondContact O-N 3.33Å; T511-F513 VanDerWaalsContact C-N 3.29Å; T511-F513 PolarHBondContact O-N 3.44Å; F513-D515 VanDerWaalsContact C-N 3.26Å; F513-D515 PolarHBondContact O-N 3.13Å; F513-E516 PolarHBondContact O-N 3.37Å; F513-Y517 HydrophobicContact CB-CD2 3.37Å; F513-Y517 HydrophobicContact CB-CE2 3.41Å; F513-Y517 VanDerWaalsContact CB-CE2 3.41Å; F513-Y517 HydrophobicContact CD2-CE2 4.18Å; F513-Y517 HydrophobicContact CG-CD2 4.32Å; F513-Y517 AromaticContact CG-CE2 3.86Å; F513-Y517 HydrophobicContact CG-CE2 3.86Å; F513-Y517 WeakPolarHBondContact O-CD2 3.48Å; F513-Y517 PolarHBondContact O-N 2.97Å
514	K	81.3	Confident	81.9	Confident	95 Å²	95	71.1 Å²	71.1	41%	0.413	36%	0.36	S	S	.	.	H	α-helix	trans	-51.9	-47.3	-170.6	-165.1	-170.9	178.1	-116.1	0	111.9	F510 E516 Y517 E518	F510-K514 HydrophobicContact CE1-CG 4.42Å; F510-K514 VanDerWaalsContact O-CA 3.29Å; F510-K514 WeakPolarHBondContact O-CA 3.37Å; F510-K514 PolarHBondContact O-N 2.83Å; K514-E516 PolarHBondContact O-N 3.18Å; K514-Y517 PolarHBondContact O-N 3.06Å; K514-E518 WeakPolarHBondContact CE-OE1 3.43Å; K514-E518 IonicContact NZ-OE1 3.49Å; K514-E518 PolarHBondContact NZ-OE1 3.41Å; K514-E518 IonicContact NZ-OE2 3.43Å; K514-E518 WeakPolarHBondContact O-CB 3.43Å; K514-E518 PolarHBondContact O-N 3.14Å
515	D	77.6	Confident	81.6	Confident	152 Å²	152	68.5 Å²	68.5	81%	0.813	35%	0.351	S	S	*	.	H	α-helix	trans	-65.5	-21.6	-176.3	-51.3	-21.5	0	0	0	113.7	F513	F513-D515 VanDerWaalsContact C-N 3.26Å; F513-D515 PolarHBondContact O-N 3.13Å
516	E	73.9	Confident	81.4	Confident	106 Å²	106	68.5 Å²	68.5	50%	0.495	35%	0.351	S	S	.	.	H	α-helix	trans	-91.2	-31.7	178.1	-66.3	-170.4	-176.2	0	0	113.4	F513 K514 K520	F513-E516 PolarHBondContact O-N 3.37Å; K514-E516 PolarHBondContact O-N 3.18Å; E516-K520 PolarHBondContact O-NZ 2.75Å
517	Y	73.7	Confident	81.1	Confident	38 Å²	38	67.7 Å²	67.7	15%	0.149	35%	0.348	C	S	.	.	H	α-helix	trans	-109.6	-7.4	-171.8	-65.7	-76.7	0	0	0	115.3	R509 F513 K514 G519 K520 L524	R509-Y517 PolarHBondContact NH2-OH 3.38Å; F513-Y517 HydrophobicContact CB-CD2 3.37Å; F513-Y517 HydrophobicContact CB-CE2 3.41Å; F513-Y517 VanDerWaalsContact CB-CE2 3.41Å; F513-Y517 HydrophobicContact CD2-CE2 4.18Å; F513-Y517 HydrophobicContact CG-CD2 4.32Å; F513-Y517 AromaticContact CG-CE2 3.86Å; F513-Y517 HydrophobicContact CG-CE2 3.86Å; F513-Y517 WeakPolarHBondContact O-CD2 3.48Å; F513-Y517 PolarHBondContact O-N 2.97Å; K514-Y517 PolarHBondContact O-N 3.06Å; Y517-G519 PolarHBondContact O-N 3Å; Y517-K520 WeakPolarHBondContact O-CA 3.37Å; Y517-K520 PolarHBondContact O-N 2.96Å; Y517-L524 HydrophobicContact CD1-CD1 3.58Å; Y517-L524 HydrophobicContact CD1-CD2 3.77Å; Y517-L524 HydrophobicContact CD1-CG 3.47Å; Y517-L524 VanDerWaalsContact CD1-CG 3.47Å; Y517-L524 HydrophobicContact CD2-CD1 4.39Å; Y517-L524 HydrophobicContact CE1-CD1 4.26Å; Y517-L524 HydrophobicContact CE1-CD2 3.55Å; Y517-L524 HydrophobicContact CE1-CG 3.76Å; Y517-L524 HydrophobicContact CG-CD1 3.65Å; Y517-L524 HydrophobicContact CG-CD2 4.34Å; Y517-L524 HydrophobicContact CG-CG 4.07Å
518	E	77.9	Confident	81.1	Confident	111 Å²	111	62.6 Å²	62.6	52%	0.519	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	120.9	172.1	-167.3	159.4	-127.9	0	0	109.8	K514	K514-E518 WeakPolarHBondContact CE-OE1 3.43Å; K514-E518 IonicContact NZ-OE1 3.49Å; K514-E518 PolarHBondContact NZ-OE1 3.41Å; K514-E518 IonicContact NZ-OE2 3.43Å; K514-E518 WeakPolarHBondContact O-CB 3.43Å; K514-E518 PolarHBondContact O-N 3.14Å
519	G	78.8	Confident	80.9	Confident	64 Å²	64	65.1 Å²	65.1	66%	0.66	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	9.6	-173	0	0	0	0	0	115.7	Y517 E521	Y517-G519 PolarHBondContact O-N 3Å; G519-E521 VanDerWaalsContact CA-OE2 3.26Å; G519-E521 WeakPolarHBondContact CA-OE2 3.43Å; G519-E521 PolarHBondContact N-OE1 3.43Å; G519-E521 PolarHBondContact N-OE2 3.35Å
520	K	78.4	Confident	80.9	Confident	87 Å²	87	67.1 Å²	67.1	38%	0.378	35%	0.348	S	S	.	.			trans	-126.3	27.4	176.1	-51.5	-165.7	-162.9	71.9	0	113.1	E516 Y517 T522 A523 L524	E516-K520 PolarHBondContact O-NZ 2.75Å; Y517-K520 WeakPolarHBondContact O-CA 3.37Å; Y517-K520 PolarHBondContact O-N 2.96Å; K520-T522 VanDerWaalsContact C-N 3.28Å; K520-T522 PolarHBondContact O-N 2.85Å; K520-A523 HydrophobicContact CB-CB 4.26Å; K520-A523 WeakPolarHBondContact O-CA 3.26Å; K520-A523 WeakPolarHBondContact O-CB 3.43Å; K520-A523 PolarHBondContact O-N 2.91Å; K520-L524 PolarHBondContact O-N 3.01Å
521	E	79.5	Confident	80.8	Confident	93 Å²	93	70.8 Å²	70.8	44%	0.435	36%	0.364	S	S	.	.	H	α-helix	trans	-60.2	-37.9	-177	-58.7	76.4	-168.1	0	0	111.6	F510 G519 A523 L524 L525	F510-E521 HydrophobicContact CE2-CG 3.96Å; G519-E521 VanDerWaalsContact CA-OE2 3.26Å; G519-E521 WeakPolarHBondContact CA-OE2 3.43Å; G519-E521 PolarHBondContact N-OE1 3.43Å; G519-E521 PolarHBondContact N-OE2 3.35Å; E521-A523 VanDerWaalsContact C-N 3.28Å; E521-A523 PolarHBondContact O-N 3.19Å; E521-L524 WeakPolarHBondContact O-CB 3.18Å; E521-L524 PolarHBondContact O-N 3.33Å; E521-L525 PolarHBondContact O-N 3.36Å; E521-L525 VanDerWaalsContact O-N 3.08Å
522	T	81.9	Confident	80.7	Confident	80 Å²	80	73.1 Å²	73.1	49%	0.491	37%	0.369	S	S	.	.	H	α-helix	trans	-66.2	-28.3	174.7	-47.4	0	0	0	0	112.6	K520 L525 V526 L545	K520-T522 VanDerWaalsContact C-N 3.28Å; K520-T522 PolarHBondContact O-N 2.85Å; T522-L525 VanDerWaalsContact O-CB 3.32Å; T522-L525 WeakPolarHBondContact O-CB 3.2Å; T522-L525 PolarHBondContact O-N 2.84Å; T522-V526 PolarHBondContact O-N 3.44Å; T522-L545 HydrophobicContact CG2-CD1 4.25Å; T522-L545 HydrophobicContact CG2-CD2 3.8Å
523	A	75.3	Confident	80.6	Confident	9 Å²	9	77 Å²	77	7%	0.074	38%	0.384	C	S	.	.	H	α-helix	trans	-74.6	-34.5	174.7	0	0	0	0	0	111.8	K520 E521 L525 V526 Y547	K520-A523 HydrophobicContact CB-CB 4.26Å; K520-A523 WeakPolarHBondContact O-CA 3.26Å; K520-A523 WeakPolarHBondContact O-CB 3.43Å; K520-A523 PolarHBondContact O-N 2.91Å; E521-A523 VanDerWaalsContact C-N 3.28Å; E521-A523 PolarHBondContact O-N 3.19Å; A523-L525 VanDerWaalsContact C-N 3.27Å; A523-L525 PolarHBondContact O-N 3.15Å; A523-V526 WeakPolarHBondContact O-CB 3.38Å; A523-V526 PolarHBondContact O-N 2.84Å; A523-Y547 HydrophobicContact CB-CD2 4.23Å; A523-Y547 WeakPolarHBondContact O-CD2 3.16Å
524	L	76.1	Confident	80.7	Confident	25 Å²	25	81.7 Å²	81.7	13%	0.131	41%	0.41	C	S	.	.	H	α-helix	trans	-63.2	-34.2	168.5	-82	164.3	0	0	0	112	F510 Y517 K520 E521 V526 D527	F510-L524 HydrophobicContact CD2-CD1 3.96Å; Y517-L524 HydrophobicContact CD1-CD1 3.58Å; Y517-L524 HydrophobicContact CD1-CD2 3.77Å; Y517-L524 HydrophobicContact CD1-CG 3.47Å; Y517-L524 VanDerWaalsContact CD1-CG 3.47Å; Y517-L524 HydrophobicContact CD2-CD1 4.39Å; Y517-L524 HydrophobicContact CE1-CD1 4.26Å; Y517-L524 HydrophobicContact CE1-CD2 3.55Å; Y517-L524 HydrophobicContact CE1-CG 3.76Å; Y517-L524 HydrophobicContact CG-CD1 3.65Å; Y517-L524 HydrophobicContact CG-CD2 4.34Å; Y517-L524 HydrophobicContact CG-CG 4.07Å; K520-L524 PolarHBondContact O-N 3.01Å; E521-L524 WeakPolarHBondContact O-CB 3.18Å; E521-L524 PolarHBondContact O-N 3.33Å; L524-V526 PolarHBondContact O-N 2.8Å; L524-D527 WeakPolarHBondContact O-CB 3.36Å; L524-D527 PolarHBondContact O-N 2.83Å; L524-D527 VanDerWaalsContact O-N 3.12Å
525	L	84.6	Confident	81	Confident	73 Å²	73	80.3 Å²	80.3	38%	0.382	40%	0.402	S	S	.	.	H	α-helix	trans	-62.7	-30.3	177.6	-161.2	68.5	0	0	0	112.9	E521 T522 A523 D527 R528 Y529	E521-L525 PolarHBondContact O-N 3.36Å; E521-L525 VanDerWaalsContact O-N 3.08Å; T522-L525 VanDerWaalsContact O-CB 3.32Å; T522-L525 WeakPolarHBondContact O-CB 3.2Å; T522-L525 PolarHBondContact O-N 2.84Å; A523-L525 VanDerWaalsContact C-N 3.27Å; A523-L525 PolarHBondContact O-N 3.15Å; L525-D527 VanDerWaalsContact C-N 3.34Å; L525-R528 VanDerWaalsContact CD1-CZ 3.45Å; L525-R528 VanDerWaalsContact CD1-NH2 3.28Å; L525-R528 PolarHBondContact O-N 3.29Å; L525-Y529 HydrophobicContact CG-CE2 4.38Å
526	V	85.8	Confident	81.6	Confident	5 Å²	5	76.5 Å²	76.5	3%	0.03	39%	0.386	C	S	.	.	H	α-helix	trans	-64.3	-38.4	174.7	177.1	0	0	0	0	111	T522 A523 L524 R528 Y529 K530 Y535 P536 L542 Y547	T522-V526 PolarHBondContact O-N 3.44Å; A523-V526 WeakPolarHBondContact O-CB 3.38Å; A523-V526 PolarHBondContact O-N 2.84Å; L524-V526 PolarHBondContact O-N 2.8Å; V526-R528 PolarHBondContact O-N 3.09Å; V526-Y529 PolarHBondContact O-N 2.65Å; V526-K530 WeakPolarHBondContact O-CB 3.31Å; V526-K530 PolarHBondContact O-N 2.89Å; V526-Y535 HydrophobicContact CG1-CD1 3.82Å; V526-Y535 HydrophobicContact CG1-CE1 4.44Å; V526-P536 HydrophobicContact CG1-CG 4.29Å; V526-P536 HydrophobicContact CG2-CG 4.5Å; V526-L542 HydrophobicContact CB-CD2 4.4Å; V526-L542 HydrophobicContact CG1-CD2 3.77Å; V526-L542 HydrophobicContact CG2-CD2 3.77Å; V526-Y547 HydrophobicContact CB-CD2 3.88Å; V526-Y547 HydrophobicContact CB-CE2 3.87Å; V526-Y547 HydrophobicContact CG1-CD1 4.4Å; V526-Y547 HydrophobicContact CG1-CD2 3.98Å; V526-Y547 HydrophobicContact CG1-CE1 4.13Å; V526-Y547 HydrophobicContact CG1-CE2 3.71Å; V526-Y547 HydrophobicContact CG1-CG 4.33Å; V526-Y547 HydrophobicContact CG2-CD2 4.43Å
527	D	79.6	Confident	82.3	Confident	23 Å²	23	73.5 Å²	73.5	12%	0.123	38%	0.376	C	S	.	.	H	α-helix	trans	-61.9	-26.4	178.2	-86.3	-15.7	0	0	0	113.1	R509 L524 L525 K530 Y547	R509-D527 IonicContact CZ-OD2 3.94Å; R509-D527 VanDerWaalsContact CZ-OD2 3.25Å; R509-D527 IonicContact NH1-OD2 3.74Å; R509-D527 PolarHBondContact NH1-OD2 3.5Å; R509-D527 IonicContact NH2-OD2 3.06Å; R509-D527 PolarHBondContact NH2-OD2 3.39Å; L524-D527 WeakPolarHBondContact O-CB 3.36Å; L524-D527 PolarHBondContact O-N 2.83Å; L524-D527 VanDerWaalsContact O-N 3.12Å; L525-D527 VanDerWaalsContact C-N 3.34Å; D527-K530 WeakPolarHBondContact OD1-CE 3.35Å; D527-K530 IonicContact OD1-NZ 2.88Å; D527-K530 PolarHBondContact OD1-NZ 3.06Å; D527-Y547 PolarHBondContact OD1-OH 2.88Å
528	R	85.7	Confident	83	Confident	45 Å²	45	74 Å²	74	17%	0.17	39%	0.385	C	S	.	.	H	α-helix	trans	-73.3	-33	177.2	-178.7	172	67	-143.5	17.4	113.1	I502 E506 L525 V526	I502-R528 HydrophobicContact CG2-CG 4.3Å; E506-R528 VanDerWaalsContact OE1-CD 3.3Å; E506-R528 WeakPolarHBondContact OE1-CD 3.35Å; E506-R528 IonicContact OE1-CZ 3.84Å; E506-R528 IonicContact OE1-NE 3.73Å; E506-R528 IonicContact OE1-NH1 2.7Å; E506-R528 PolarHBondContact OE1-NH1 3.39Å; E506-R528 IonicContact OE2-NH1 3.57Å; E506-R528 PolarHBondContact OE2-NH1 2.95Å; L525-R528 VanDerWaalsContact CD1-CZ 3.45Å; L525-R528 VanDerWaalsContact CD1-NH2 3.28Å; L525-R528 PolarHBondContact O-N 3.29Å; V526-R528 PolarHBondContact O-N 3.09Å
529	Y	86.8	Confident	83.4	Confident	141 Å²	141	74.1 Å²	74.1	55%	0.553	39%	0.394	S	S	*	.	H	α-helix	trans	-109.3	-7.7	-171.9	-63.3	-54.8	0	0	0	114.2	L525 V526	L525-Y529 HydrophobicContact CG-CE2 4.38Å; V526-Y529 PolarHBondContact O-N 2.65Å
530	K	86.1	Confident	83.7	Confident	48 Å²	48	75.1 Å²	75.1	21%	0.209	39%	0.391	C	S	.	.			trans	-67	141	174.2	74.9	-176	-174.6	-173.3	0	110.7	V526 D527 L534 Y535 Y547 D549	V526-K530 WeakPolarHBondContact O-CB 3.31Å; V526-K530 PolarHBondContact O-N 2.89Å; D527-K530 WeakPolarHBondContact OD1-CE 3.35Å; D527-K530 IonicContact OD1-NZ 2.88Å; D527-K530 PolarHBondContact OD1-NZ 3.06Å; K530-L534 WeakPolarHBondContact CA-O 3.48Å; K530-Y535 HydrophobicContact CB-CD1 3.98Å; K530-Y535 HydrophobicContact CB-CE1 3.97Å; K530-Y535 HydrophobicContact CD-CE1 4.02Å; K530-Y547 VanDerWaalsContact CD-OH 3.28Å; K530-Y547 WeakPolarHBondContact CD-OH 3.4Å; K530-Y547 PolarHBondContact NZ-OH 2.9Å; K530-D549 IonicContact NZ-OD1 2.65Å; K530-D549 PolarHBondContact NZ-OD1 3.2Å
531	F	81.8	Confident	84.2	Confident	131 Å²	131	76 Å²	76	58%	0.575	40%	0.396	S	S	*	.	B	Isolated β-bridge	trans	-139.5	117.9	173.3	-176	-92.9	0	0	0	109.3	D533 L534	F531-D533 PolarHBondContact O-N 2.91Å; F531-D533 VanDerWaalsContact O-N 3.09Å; F531-L534 PolarHBondContact N-O 2.9Å; F531-L534 VanDerWaalsContact N-O 3.09Å; F531-L534 VanDerWaalsContact O-CB 3.32Å; F531-L534 WeakPolarHBondContact O-CB 3.4Å; F531-L534 PolarHBondContact O-N 3.17Å
532	M	82.8	Confident	84.4	Confident	155 Å²	155	72.3 Å²	72.3	76%	0.764	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	-111.5	-172	-60.7	179.3	58.6	0	0	111.7
533	D	81	Confident	84.6	Confident	122 Å²	122	77 Å²	77	65%	0.652	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-2.9	177.3	63.1	-39.8	0	0	0	113.8	F531 Y535	F531-D533 PolarHBondContact O-N 2.91Å; F531-D533 VanDerWaalsContact O-N 3.09Å; D533-Y535 WeakPolarHBondContact O-CD2 3.25Å; D533-Y535 WeakPolarHBondContact O-CE2 3.47Å
534	L	85.6	Confident	85.1	Confident	113 Å²	113	81 Å²	81	59%	0.592	43%	0.425	S	S	*	.	B	Isolated β-bridge	trans	-82.7	129.7	178.5	-55.7	179.6	0	0	0	111.3	K530 F531	K530-L534 WeakPolarHBondContact CA-O 3.48Å; F531-L534 PolarHBondContact N-O 2.9Å; F531-L534 VanDerWaalsContact N-O 3.09Å; F531-L534 VanDerWaalsContact O-CB 3.32Å; F531-L534 WeakPolarHBondContact O-CB 3.4Å; F531-L534 PolarHBondContact O-N 3.17Å
535	Y	87.9	Confident	85.4	Confident	65 Å²	65	82.6 Å²	82.6	26%	0.255	43%	0.434	S	S	.	.			trans	-123.9	145.3	177.9	-67	-81.7	0	0	0	111	V526 K530 D533 C537 L542 Y547 D549	V526-Y535 HydrophobicContact CG1-CD1 3.82Å; V526-Y535 HydrophobicContact CG1-CE1 4.44Å; K530-Y535 HydrophobicContact CB-CD1 3.98Å; K530-Y535 HydrophobicContact CB-CE1 3.97Å; K530-Y535 HydrophobicContact CD-CE1 4.02Å; D533-Y535 WeakPolarHBondContact O-CD2 3.25Å; D533-Y535 WeakPolarHBondContact O-CE2 3.47Å; Y535-C537 PolarHBondContact O-N 3.05Å; Y535-L542 HydrophobicContact CD1-CD1 3.95Å; Y535-L542 HydrophobicContact CD2-CD1 4.34Å; Y535-L542 HydrophobicContact CG-CD1 3.78Å; Y535-Y547 HydrophobicContact CD1-CE1 4.16Å; Y535-Y547 AromaticContact CE1-CE1 3.63Å; Y535-Y547 HydrophobicContact CE1-CE1 3.63Å; Y535-Y547 AromaticContact CE1-CZ 3.9Å; Y535-D549 PolarHBondContact OH-OD2 2.96Å
536	P	90.1	Very high	85.1	Confident	73 Å²	73	80.9 Å²	80.9	47%	0.474	43%	0.434	S	S	.	.	S	Bend	trans	-71.4	-3.3	175.8	31.6	-38.3	0	0	0	114.1	V526	V526-P536 HydrophobicContact CG1-CG 4.29Å; V526-P536 HydrophobicContact CG2-CG 4.5Å
537	C	88.7	Confident	84.8	Confident	43 Å²	43	82 Å²	82	29%	0.291	44%	0.438	S	S	.	.	S	Bend	trans	-139.5	154.9	-178.9	-50.5	0	0	0	0	110.7	Y535 E541 L542	Y535-C537 PolarHBondContact O-N 3.05Å; C537-E541 HydrophobicContact CB-CB 3.98Å; C537-L542 HydrophobicContact CB-CD2 3.87Å; C537-L542 HydrophobicContact CB-CG 4.06Å
538	S	88.3	Confident	84.4	Confident	48 Å²	48	89.5 Å²	89.5	34%	0.336	47%	0.469	S	S	.	.			trans	-66.6	156.8	174.8	68.2	0	0	0	0	112.5	S540 E541 L542	S538-S540 PolarHBondContact O-N 3.09Å; S538-S540 VanDerWaalsContact O-N 3.12Å; S538-S540 PolarHBondContact OG-OG 3.36Å; S538-E541 WeakPolarHBondContact CB-OE2 3.12Å; S538-E541 PolarHBondContact N-OE2 3.06Å; S538-E541 PolarHBondContact O-N 3.08Å; S538-E541 VanDerWaalsContact OG-CG 3.31Å; S538-E541 WeakPolarHBondContact OG-CG 3.42Å; S538-E541 PolarHBondContact OG-N 2.72Å; S538-E541 PolarHBondContact OG-OE2 3.34Å; S538-L542 WeakPolarHBondContact O-CG 3.38Å; S538-L542 PolarHBondContact O-N 3.43Å
539	T	86.1	Confident	83.5	Confident	113 Å²	113	88.5 Å²	88.5	69%	0.693	47%	0.467	S	S	*	.	H	α-helix	trans	-54.3	-33.4	176.7	-45.9	0	0	0	0	113.2	K543	T539-K543 WeakPolarHBondContact O-CB 3.33Å; T539-K543 PolarHBondContact O-N 2.95Å; T539-K543 VanDerWaalsContact O-N 3.1Å
540	S	85.7	Confident	82.2	Confident	86 Å²	86	84.3 Å²	84.3	60%	0.601	46%	0.456	S	S	*	.	H	α-helix	trans	-66.7	-45.7	174.3	26.1	0	0	0	0	112.9	S538 K543 A544	S538-S540 PolarHBondContact O-N 3.09Å; S538-S540 VanDerWaalsContact O-N 3.12Å; S538-S540 PolarHBondContact OG-OG 3.36Å; S540-K543 PolarHBondContact O-N 2.95Å; S540-A544 PolarHBondContact O-N 3.4Å; S540-A544 VanDerWaalsContact O-N 3.08Å
541	E	88.3	Confident	80.7	Confident	105 Å²	105	85.8 Å²	85.8	49%	0.491	47%	0.472	S	S	.	.	H	α-helix	trans	-68.2	-44.9	178.4	-69.9	158.1	143.7	0	0	110.7	C537 S538 K543 A544 L545	C537-E541 HydrophobicContact CB-CB 3.98Å; S538-E541 WeakPolarHBondContact CB-OE2 3.12Å; S538-E541 PolarHBondContact N-OE2 3.06Å; S538-E541 PolarHBondContact O-N 3.08Å; S538-E541 VanDerWaalsContact OG-CG 3.31Å; S538-E541 WeakPolarHBondContact OG-CG 3.42Å; S538-E541 PolarHBondContact OG-N 2.72Å; S538-E541 PolarHBondContact OG-OE2 3.34Å; E541-K543 VanDerWaalsContact C-N 3.28Å; E541-K543 PolarHBondContact O-N 3.34Å; E541-A544 PolarHBondContact O-N 3.01Å; E541-A544 VanDerWaalsContact O-N 3.08Å; E541-L545 WeakPolarHBondContact O-CB 3.5Å; E541-L545 VanDerWaalsContact O-CG 3.29Å; E541-L545 WeakPolarHBondContact O-CG 3.15Å; E541-L545 PolarHBondContact O-N 3.19Å
542	L	85.4	Confident	79.3	Confident	16 Å²	16	87.6 Å²	87.6	8%	0.084	48%	0.475	C	S	.	.	H	α-helix	trans	-57	-41	175.1	-66.9	177.4	0	0	0	112.1	V526 Y535 C537 S538 L545 G546 Y547	V526-L542 HydrophobicContact CB-CD2 4.4Å; V526-L542 HydrophobicContact CG1-CD2 3.77Å; V526-L542 HydrophobicContact CG2-CD2 3.77Å; Y535-L542 HydrophobicContact CD1-CD1 3.95Å; Y535-L542 HydrophobicContact CD2-CD1 4.34Å; Y535-L542 HydrophobicContact CG-CD1 3.78Å; C537-L542 HydrophobicContact CB-CD2 3.87Å; C537-L542 HydrophobicContact CB-CG 4.06Å; S538-L542 WeakPolarHBondContact O-CG 3.38Å; S538-L542 PolarHBondContact O-N 3.43Å; L542-L545 PolarHBondContact O-N 2.71Å; L542-G546 PolarHBondContact O-N 3.35Å; L542-Y547 HydrophobicContact CB-CD1 4.2Å; L542-Y547 HydrophobicContact CD1-CD1 4.21Å; L542-Y547 HydrophobicContact CD2-CD1 3.91Å; L542-Y547 HydrophobicContact CD2-CG 4.08Å; L542-Y547 HydrophobicContact CG-CD1 4.34Å; L542-Y547 WeakPolarHBondContact O-CB 3.21Å; L542-Y547 PolarHBondContact O-N 2.93Å
543	K	85	Confident	77.8	Confident	179 Å²	179	82.9 Å²	82.9	78%	0.778	46%	0.461	S	S	*	.	H	α-helix	trans	-65.9	-39.1	175.9	-172.3	176.6	-179.7	-179.8	0	112.1	T539 S540 E541 G546	T539-K543 WeakPolarHBondContact O-CB 3.33Å; T539-K543 PolarHBondContact O-N 2.95Å; T539-K543 VanDerWaalsContact O-N 3.1Å; S540-K543 PolarHBondContact O-N 2.95Å; E541-K543 VanDerWaalsContact C-N 3.28Å; E541-K543 PolarHBondContact O-N 3.34Å; K543-G546 PolarHBondContact O-N 3.33Å
544	A	85.1	Confident	76.1	Confident	91 Å²	91	81.5 Å²	81.5	75%	0.752	45%	0.449	S	S	*	.	H	α-helix	trans	-70.2	-35.7	176.2	0	0	0	0	0	112.8	S540 E541 G546	S540-A544 PolarHBondContact O-N 3.4Å; S540-A544 VanDerWaalsContact O-N 3.08Å; E541-A544 PolarHBondContact O-N 3.01Å; E541-A544 VanDerWaalsContact O-N 3.08Å; A544-G546 PolarHBondContact O-N 2.97Å
545	L	83.3	Confident	73.9	Confident	60 Å²	60	81.8 Å²	81.8	31%	0.314	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-5.1	172.4	-68.7	172.1	0	0	0	113.4	T522 E541 L542 Y547	T522-L545 HydrophobicContact CG2-CD1 4.25Å; T522-L545 HydrophobicContact CG2-CD2 3.8Å; E541-L545 WeakPolarHBondContact O-CB 3.5Å; E541-L545 VanDerWaalsContact O-CG 3.29Å; E541-L545 WeakPolarHBondContact O-CG 3.15Å; E541-L545 PolarHBondContact O-N 3.19Å; L542-L545 PolarHBondContact O-N 2.71Å; L545-Y547 PolarHBondContact O-N 3.43Å
546	G	78.6	Confident	71.8	Confident	36 Å²	36	81.7 Å²	81.7	37%	0.371	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	20	-175.6	0	0	0	0	0	113.9	L542 K543 A544 K548	L542-G546 PolarHBondContact O-N 3.35Å; K543-G546 PolarHBondContact O-N 3.33Å; A544-G546 PolarHBondContact O-N 2.97Å; G546-K548 PolarHBondContact O-N 3.19Å
547	Y	79.1	Confident	69.6	Low	29 Å²	29	82.4 Å²	82.4	11%	0.114	48%	0.475	C	S	.	.			trans	-66.2	124.7	-179.4	175	-101.8	0	0	0	110.8	A523 V526 D527 K530 Y535 L542 L545 D549	A523-Y547 HydrophobicContact CB-CD2 4.23Å; A523-Y547 WeakPolarHBondContact O-CD2 3.16Å; V526-Y547 HydrophobicContact CB-CD2 3.88Å; V526-Y547 HydrophobicContact CB-CE2 3.87Å; V526-Y547 HydrophobicContact CG1-CD1 4.4Å; V526-Y547 HydrophobicContact CG1-CD2 3.98Å; V526-Y547 HydrophobicContact CG1-CE1 4.13Å; V526-Y547 HydrophobicContact CG1-CE2 3.71Å; V526-Y547 HydrophobicContact CG1-CG 4.33Å; V526-Y547 HydrophobicContact CG2-CD2 4.43Å; D527-Y547 PolarHBondContact OD1-OH 2.88Å; K530-Y547 VanDerWaalsContact CD-OH 3.28Å; K530-Y547 WeakPolarHBondContact CD-OH 3.4Å; K530-Y547 PolarHBondContact NZ-OH 2.9Å; Y535-Y547 HydrophobicContact CD1-CE1 4.16Å; Y535-Y547 AromaticContact CE1-CE1 3.63Å; Y535-Y547 HydrophobicContact CE1-CE1 3.63Å; Y535-Y547 AromaticContact CE1-CZ 3.9Å; L542-Y547 HydrophobicContact CB-CD1 4.2Å; L542-Y547 HydrophobicContact CD1-CD1 4.21Å; L542-Y547 HydrophobicContact CD2-CD1 3.91Å; L542-Y547 HydrophobicContact CD2-CG 4.08Å; L542-Y547 HydrophobicContact CG-CD1 4.34Å; L542-Y547 WeakPolarHBondContact O-CB 3.21Å; L542-Y547 PolarHBondContact O-N 2.93Å; L545-Y547 PolarHBondContact O-N 3.43Å; Y547-D549 HydrophobicContact CE1-CB 3.76Å; Y547-D549 PolarHBondContact OH-OD1 2.72Å
548	K	71.3	Confident	67.2	Low	181 Å²	181	87.1 Å²	87.1	79%	0.787	50%	0.497	S	S	*	.			trans	-114.5	105.9	175.3	-66.8	-177.4	-179.2	-180	0	108.8	G546 V550	G546-K548 PolarHBondContact O-N 3.19Å; K548-V550 PolarHBondContact O-N 3.16Å
549	D	66.9	Low	64.6	Low	23 Å²	23	90.7 Å²	90.7	12%	0.123	51%	0.511	C	S	.	.			trans	-71.1	104.2	169.4	-179.9	44.1	0	0	0	109.8	K530 Y535 Y547 S551 R552 A553	K530-D549 IonicContact NZ-OD1 2.65Å; K530-D549 PolarHBondContact NZ-OD1 3.2Å; Y535-D549 PolarHBondContact OH-OD2 2.96Å; Y547-D549 HydrophobicContact CE1-CB 3.76Å; Y547-D549 PolarHBondContact OH-OD1 2.72Å; D549-S551 PolarHBondContact O-N 3.25Å; D549-S551 WeakPolarHBondContact OD1-CB 3.49Å; D549-S551 PolarHBondContact OD1-N 3.35Å; D549-S551 PolarHBondContact OD1-OG 3.35Å; D549-S551 VanDerWaalsContact OD2-CB 3.29Å; D549-S551 WeakPolarHBondContact OD2-CB 3.35Å; D549-S551 PolarHBondContact OD2-OG 2.93Å; D549-R552 HydrophobicContact CB-CB 4.18Å; D549-R552 PolarHBondContact O-N 2.97Å; D549-R552 VanDerWaalsContact O-N 3.16Å; D549-R552 WeakPolarHBondContact OD2-CB 3.45Å; D549-R552 PolarHBondContact OD2-N 3.43Å; D549-A553 WeakPolarHBondContact O-CB 3.18Å; D549-A553 PolarHBondContact O-N 3.44Å
550	V	60.1	Low	62.1	Low	54 Å²	54	91 Å²	91	33%	0.327	52%	0.516	S	S	.	.	H	α-helix	trans	-53.8	-33.8	175.6	-82.2	0	0	0	0	112.4	K548 A553 K554	K548-V550 PolarHBondContact O-N 3.16Å; V550-A553 PolarHBondContact O-N 2.87Å; V550-K554 PolarHBondContact O-N 3.04Å
551	S	54.1	Low	59.6	Low	78 Å²	78	95.8 Å²	95.8	55%	0.545	53%	0.528	S	S	.	.	H	α-helix	trans	-61.5	-48.6	177.3	-20.3	0	0	0	0	111.9	D549	D549-S551 PolarHBondContact O-N 3.25Å; D549-S551 WeakPolarHBondContact OD1-CB 3.49Å; D549-S551 PolarHBondContact OD1-N 3.35Å; D549-S551 PolarHBondContact OD1-OG 3.35Å; D549-S551 VanDerWaalsContact OD2-CB 3.29Å; D549-S551 WeakPolarHBondContact OD2-CB 3.35Å; D549-S551 PolarHBondContact OD2-OG 2.93Å
552	R	52.1	Low	56.8	Low	170 Å²	170	94.9 Å²	94.9	64%	0.642	54%	0.539	S	S	*	.	H	α-helix	trans	-79.3	-26.5	178.5	-171.1	172.9	179.7	173.1	1.1	113.6	D549 L555 A556	D549-R552 HydrophobicContact CB-CB 4.18Å; D549-R552 PolarHBondContact O-N 2.97Å; D549-R552 VanDerWaalsContact O-N 3.16Å; D549-R552 WeakPolarHBondContact OD2-CB 3.45Å; D549-R552 PolarHBondContact OD2-N 3.43Å; R552-L555 PolarHBondContact O-N 2.7Å; R552-A556 WeakPolarHBondContact O-CB 3.14Å; R552-A556 PolarHBondContact O-N 3.21Å
553	A	50.5	Low	54.4	Low	55 Å²	55	101 Å²	101	46%	0.455	58%	0.576	S	S	.	*	H	α-helix	trans	-64.1	-44.3	177.6	0	0	0	0	0	112.3	D549 V550 L555 A556 A557	D549-A553 WeakPolarHBondContact O-CB 3.18Å; D549-A553 PolarHBondContact O-N 3.44Å; V550-A553 PolarHBondContact O-N 2.87Å; A553-L555 VanDerWaalsContact C-N 3.32Å; A553-L555 PolarHBondContact O-N 3.18Å; A553-A556 PolarHBondContact O-N 3.36Å; A553-A557 WeakPolarHBondContact O-CB 3.27Å; A553-A557 PolarHBondContact O-N 3.25Å
554	K	47.1	Very low	52	Low	94 Å²	94	98.3 Å²	98.3	41%	0.409	58%	0.575	S	S	.	*	H	α-helix	trans	-61.7	-38.7	171.9	-89.5	-177.4	169.9	174.9	0	112	E446 E484 V550 A557 L558	E446-K554 IonicContact OE1-NZ 3.49Å; E446-K554 PolarHBondContact OE1-NZ 3.14Å; E484-K554 VanDerWaalsContact OE1-CD 3.29Å; E484-K554 WeakPolarHBondContact OE1-CD 3.37Å; E484-K554 WeakPolarHBondContact OE1-CE 3.45Å; E484-K554 IonicContact OE1-NZ 3.72Å; E484-K554 PolarHBondContact OE1-NZ 3.39Å; E484-K554 IonicContact OE2-NZ 3.24Å; E484-K554 PolarHBondContact OE2-NZ 3.08Å; V550-K554 PolarHBondContact O-N 3.04Å; K554-A557 PolarHBondContact O-N 3.23Å; K554-L558 WeakPolarHBondContact O-CG 3.28Å; K554-L558 PolarHBondContact O-N 3.18Å
555	L	39.6	Very low	49.3	Very low	119 Å²	119	97.8 Å²	97.8	62%	0.623	57%	0.57	S	S	*	*	H	α-helix	trans	-67.1	-39.3	178.5	-155.9	80.1	0	0	0	112.5	R552 A553 L558	R552-L555 PolarHBondContact O-N 2.7Å; A553-L555 VanDerWaalsContact C-N 3.32Å; A553-L555 PolarHBondContact O-N 3.18Å; L555-L558 PolarHBondContact O-N 3.14Å
556	A	42.2	Very low	46.8	Very low	63 Å²	63	100.5 Å²	100.5	52%	0.521	59%	0.592	S	S	.	*	H	α-helix	trans	-69.2	-36	176.2	0	0	0	0	0	112.6	R552 A553 L558 L559	R552-A556 WeakPolarHBondContact O-CB 3.14Å; R552-A556 PolarHBondContact O-N 3.21Å; A553-A556 PolarHBondContact O-N 3.36Å; A556-L558 VanDerWaalsContact C-N 3.27Å; A556-L558 PolarHBondContact O-N 3.32Å; A556-L559 PolarHBondContact O-N 3.02Å
557	A	45.4	Very low	44.6	Very low	87 Å²	87	104.1 Å²	104.1	72%	0.719	61%	0.611	S	S	*	*	H	α-helix	trans	-73.4	-13.7	177.3	0	0	0	0	0	114.4	A553 K554	A553-A557 WeakPolarHBondContact O-CB 3.27Å; A553-A557 PolarHBondContact O-N 3.25Å; K554-A557 PolarHBondContact O-N 3.23Å
558	L	37.2	Very low	42.3	Very low	143 Å²	143	109 Å²	109	75%	0.749	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-8.8	176.2	-78.8	165.9	0	0	0	113.6	K554 L555 A556	K554-L558 WeakPolarHBondContact O-CG 3.28Å; K554-L558 PolarHBondContact O-N 3.18Å; L555-L558 PolarHBondContact O-N 3.14Å; A556-L558 VanDerWaalsContact C-N 3.27Å; A556-L558 PolarHBondContact O-N 3.32Å
559	L	34	Very low	40.4	Very low	122 Å²	122	105.5 Å²	105.5	64%	0.639	64%	0.64	S	S	*	*	S	Bend	trans	-89.7	132.6	172.4	-68.3	167.2	0	0	0	108.8	A556 E561	A556-L559 PolarHBondContact O-N 3.02Å; L559-E561 PolarHBondContact O-N 2.86Å
560	P	34.2	Very low	38.7	Very low	121 Å²	121	111 Å²	111	79%	0.786	67%	0.674	S	S	*	*			trans	-54.5	134.7	166.2	-21.8	32.8	0	0	0	109.2	A562	P560-A562 PolarHBondContact O-N 2.73Å
561	E	32	Very low	37.4	Very low	186 Å²	186	116 Å²	116	87%	0.869	70%	0.698	S	S	*	*			trans	-55	111.8	178.6	-163.1	169	-143.4	0	0	108.5	L559 V563	L559-E561 PolarHBondContact O-N 2.86Å; E561-V563 PolarHBondContact O-N 2.71Å
562	A	30.2	Very low	36.5	Very low	86 Å²	86	121.9 Å²	121.9	71%	0.711	71%	0.714	S	S	*	*			trans	-60.8	117.7	-173.7	0	0	0	0	0	108.2	P560 V564	P560-A562 PolarHBondContact O-N 2.73Å; A562-V564 PolarHBondContact O-N 3Å
563	V	34.1	Very low	35.7	Very low	143 Å²	143	121.4 Å²	121.4	87%	0.867	72%	0.724	S	S	*	*			trans	-47.8	112.6	-175.7	-176.8	0	0	0	0	108.5	E561 A565	E561-V563 PolarHBondContact O-N 2.71Å; V563-A565 PolarHBondContact O-N 3.01Å
564	V	35.3	Very low	35.3	Very low	124 Å²	124	125.1 Å²	125.1	75%	0.752	74%	0.736	S	S	*	*			trans	-63.2	101.5	-179.6	178.8	0	0	0	0	107	A562	A562-V564 PolarHBondContact O-N 3Å
565	A	27.4	Very low	35.2	Very low	79 Å²	79	126.5 Å²	126.5	65%	0.653	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-56.5	126.7	173.7	0	0	0	0	0	107.6	V563 S567	V563-A565 PolarHBondContact O-N 3.01Å; A565-S567 PolarHBondContact O-N 3.19Å
566	P	32.2	Very low	35.6	Very low	118 Å²	118	128.2 Å²	128.2	77%	0.766	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-60	131.4	-175.9	23.6	-33	0	0	0	109.5	V568	P566-V568 PolarHBondContact O-N 3.31Å; P566-V568 VanDerWaalsContact O-N 3.16Å
567	S	31.9	Very low	35.9	Very low	111 Å²	111	136.2 Å²	136.2	78%	0.776	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-51.1	120.1	-179.4	-43.2	0	0	0	0	110.3	A565	A565-S567 PolarHBondContact O-N 3.19Å
568	V	29.8	Very low	36	Very low	133 Å²	133	141.4 Å²	141.4	81%	0.806	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-58.3	127.6	172.5	-177.3	0	0	0	0	107.9	P566 T570	P566-V568 PolarHBondContact O-N 3.31Å; P566-V568 VanDerWaalsContact O-N 3.16Å; V568-T570 PolarHBondContact O-N 3.35Å
569	P	32.6	Very low	36.7	Very low	107 Å²	107	138.5 Å²	138.5	70%	0.695	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-61.5	127.3	178.1	-21	32.2	0	0	0	109.9	L571	P569-L571 PolarHBondContact O-N 3Å
570	T	30.6	Very low	37.5	Very low	137 Å²	137	140.5 Å²	140.5	84%	0.84	78%	0.783	S	S	*	*			trans	-64.9	103.2	169.1	31.5	0	0	0	0	109.1	V568 K572	V568-T570 PolarHBondContact O-N 3.35Å; T570-K572 PolarHBondContact O-N 3.24Å
571	L	32.7	Very low	38.1	Very low	159 Å²	159	142.1 Å²	142.1	83%	0.832	78%	0.775	S	S	*	*			trans	-58.6	121.9	167.6	-70.2	168.9	0	0	0	108.1	P569 D573	P569-L571 PolarHBondContact O-N 3Å; L571-D573 PolarHBondContact O-N 3.47Å
572	K	34.8	Very low	39.1	Very low	202 Å²	202	139.9 Å²	139.9	88%	0.878	78%	0.776	S	S	*	*			trans	-78.7	113.8	166.1	-68.9	-178.8	177.3	-179.1	0	106.9	T570	T570-K572 PolarHBondContact O-N 3.24Å
573	D	35.3	Very low	40.1	Very low	160 Å²	160	143.3 Å²	143.3	86%	0.856	78%	0.775	S	S	*	*			trans	-67.7	130.7	171	-81.6	-41.5	0	0	0	110.1	L571	L571-D573 PolarHBondContact O-N 3.47Å
574	D	42.8	Very low	40.9	Very low	133 Å²	133	141.6 Å²	141.6	71%	0.711	77%	0.767	S	S	*	*			trans	-99.3	119.1	178.9	-168.2	1.5	0	0	0	108.1	D576	D574-D576 VanDerWaalsContact C-N 3.29Å; D574-D576 PolarHBondContact O-N 3.34Å; D574-D576 VanDerWaalsContact O-N 3.12Å
575	P	45.2	Very low	42	Very low	124 Å²	124	139.3 Å²	139.3	81%	0.805	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-12	-159.3	23.7	-34.9	0	0	0	116.7
576	D	47.3	Very low	43.3	Very low	155 Å²	155	140.2 Å²	140.2	83%	0.829	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	6.1	-168.9	-93.6	-43.9	0	0	0	116.1	D574 K578	D574-D576 VanDerWaalsContact C-N 3.29Å; D574-D576 PolarHBondContact O-N 3.34Å; D574-D576 VanDerWaalsContact O-N 3.12Å; D576-K578 PolarHBondContact O-N 3.41Å
577	R	49	Very low	44.4	Very low	231 Å²	231	141.6 Å²	141.6	87%	0.872	75%	0.749	S	S	*	*			trans	-89.4	101.4	179.9	-160.8	170.8	-175.2	172.5	0.4	112.7
578	K	48.6	Very low	45.3	Very low	196 Å²	196	143.9 Å²	143.9	85%	0.852	75%	0.748	S	S	*	*			trans	-54.8	132.8	173.4	-76.3	-176.1	177.3	177.8	0	111.7	D576	D576-K578 PolarHBondContact O-N 3.41Å
579	P	50.5	Low	46.1	Very low	81 Å²	81	143.7 Å²	143.7	53%	0.526	74%	0.739	S	S	.	*			trans	-74.3	144.7	-178.3	29.9	-34.7	0	0	0	112.3	Y581 K583	P579-Y581 VanDerWaalsContact C-N 3.28Å; P579-Y581 PolarHBondContact O-N 2.87Å; P579-K583 HydrophobicContact CB-CD 4.38Å
580	E	50.5	Low	47	Very low	165 Å²	165	146.3 Å²	146.3	77%	0.771	75%	0.746	S	S	*	*	S	Bend	trans	-78.3	-8.4	-173.6	-166.5	173	-136.6	0	0	113.8
581	Y	47	Very low	47.7	Very low	155 Å²	155	145.2 Å²	145.2	61%	0.608	74%	0.741	S	S	*	*	S	Bend	trans	-141.4	152.5	176.9	-10.4	-74.7	0	0	0	109.9	P579 K583	P579-Y581 VanDerWaalsContact C-N 3.28Å; P579-Y581 PolarHBondContact O-N 2.87Å; Y581-K583 PolarHBondContact O-N 2.95Å
582	P	53.8	Low	48.2	Very low	138 Å²	138	146.6 Å²	146.6	90%	0.896	74%	0.737	S	S	*	*			trans	-59.7	119.7	178.2	-21.6	33	0	0	0	111.7
583	K	51.1	Low	48.8	Very low	159 Å²	159	142.9 Å²	142.9	69%	0.691	72%	0.722	S	S	*	*			trans	-105.2	142.7	168.9	-69.4	-176.5	177.8	-179.7	0	109.3	P579 Y581	P579-K583 HydrophobicContact CB-CD 4.38Å; Y581-K583 PolarHBondContact O-N 2.95Å
584	P	51.3	Low	49.2	Very low	106 Å²	106	139.7 Å²	139.7	69%	0.688	71%	0.71	S	S	*	*			trans	-63.7	147.3	172.6	27.6	-34	0	0	0	111	T586	P584-T586 PolarHBondContact O-N 2.97Å; P584-T586 VanDerWaalsContact O-N 3.09Å
585	D	57.6	Low	49.5	Very low	77 Å²	77	141.5 Å²	141.5	41%	0.412	71%	0.707	S	S	.	*			trans	-70.2	102.5	180	179.3	14.7	0	0	0	111.1	N587 Q588	D585-N587 PolarHBondContact O-N 2.8Å; D585-N587 VanDerWaalsContact OD1-CB 3.31Å; D585-N587 WeakPolarHBondContact OD1-CB 3.36Å; D585-N587 PolarHBondContact OD1-N 2.99Å; D585-N587 PolarHBondContact OD1-ND2 3.08Å; D585-Q588 PolarHBondContact O-N 3.03Å; D585-Q588 PolarHBondContact OD2-NE2 3.2Å
586	T	54.3	Low	49.6	Very low	98 Å²	98	144.8 Å²	144.8	60%	0.601	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-70.6	-12.7	-179.2	50.6	0	0	0	0	113.5	P584 Q588 M589	P584-T586 PolarHBondContact O-N 2.97Å; P584-T586 VanDerWaalsContact O-N 3.09Å; T586-Q588 PolarHBondContact O-N 3.43Å; T586-M589 HydrophobicContact CG2-SD 4.28Å; T586-M589 PolarHBondContact O-N 3.29Å
587	N	55.5	Low	49.8	Very low	146 Å²	146	144.8 Å²	144.8	78%	0.781	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-70.8	-17.2	176.8	-58.5	-55.5	0	0	0	112.7	D585	D585-N587 PolarHBondContact O-N 2.8Å; D585-N587 VanDerWaalsContact OD1-CB 3.31Å; D585-N587 WeakPolarHBondContact OD1-CB 3.36Å; D585-N587 PolarHBondContact OD1-N 2.99Å; D585-N587 PolarHBondContact OD1-ND2 3.08Å
588	Q	51.7	Low	49.7	Very low	160 Å²	160	136 Å²	136	75%	0.748	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-95.7	1.5	176	-61.1	-179.1	43.5	0	0	112.7	D585 T586	D585-Q588 PolarHBondContact O-N 3.03Å; D585-Q588 PolarHBondContact OD2-NE2 3.2Å; T586-Q588 PolarHBondContact O-N 3.43Å
589	M	47.2	Very low	49.9	Very low	129 Å²	129	130.2 Å²	130.2	64%	0.635	67%	0.67	S	S	*	*	S	Bend	trans	-91.8	125.5	178.1	-65.7	-172.7	70.4	0	0	111.5	T586	T586-M589 HydrophobicContact CG2-SD 4.28Å; T586-M589 PolarHBondContact O-N 3.29Å
590	I	51.1	Low	49.7	Very low	162 Å²	162	133.1 Å²	133.1	83%	0.831	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-70.4	127.7	173.4	-52.6	174.4	0	0	0	108.8	Y592	I590-Y592 PolarHBondContact O-N 3.4Å
591	P	45.1	Very low	50	Low	114 Å²	114	127.2 Å²	127.2	74%	0.74	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-63.6	119	-177.2	-25.4	35.2	0	0	0	113.8	Q593	P591-Q593 PolarHBondContact O-N 3.22Å; P591-Q593 VanDerWaalsContact O-N 3.13Å
592	Y	43.1	Very low	50.5	Low	188 Å²	188	123.2 Å²	123.2	74%	0.737	66%	0.661	S	S	*	*			trans	-74.4	98.5	172.5	-179.4	-104.5	0	0	0	110.7	I590 P594	I590-Y592 PolarHBondContact O-N 3.4Å; Y592-P594 HydrophobicContact CD1-CG 4.28Å; Y592-P594 HydrophobicContact CE1-CB 4.25Å; Y592-P594 HydrophobicContact CE1-CG 3.7Å; Y592-P594 WeakPolarHBondContact O-CD 3.46Å
593	Q	46.8	Very low	50.6	Low	123 Å²	123	122.4 Å²	122.4	58%	0.575	65%	0.645	S	S	*	*			trans	-110.1	96.6	167.8	-77.3	-164	-6.8	0	0	110.8	P591 R595	P591-Q593 PolarHBondContact O-N 3.22Å; P591-Q593 VanDerWaalsContact O-N 3.13Å; Q593-R595 PolarHBondContact O-N 2.94Å
594	P	44	Very low	50.8	Low	93 Å²	93	118.6 Å²	118.6	60%	0.604	64%	0.637	S	S	*	*			trans	-71.2	96	169.6	29.3	-32.2	0	0	0	109.3	Y592	Y592-P594 HydrophobicContact CD1-CG 4.28Å; Y592-P594 HydrophobicContact CE1-CB 4.25Å; Y592-P594 HydrophobicContact CE1-CG 3.7Å; Y592-P594 WeakPolarHBondContact O-CD 3.46Å
595	R	48.1	Very low	51	Low	171 Å²	171	116.8 Å²	116.8	65%	0.645	62%	0.623	S	S	*	*			trans	-85.6	117.9	171.5	-65.5	-172.6	-178.2	-160.2	0.8	109	Q593 L597	Q593-R595 PolarHBondContact O-N 2.94Å; R595-L597 PolarHBondContact O-N 3.37Å; R595-L597 VanDerWaalsContact O-N 3.08Å
596	H	48.4	Very low	50.4	Low	194 Å²	194	119.9 Å²	119.9	90%	0.898	65%	0.647	S	S	*	*	S	Bend	trans	-68	-8.5	-172.4	-141.1	-67.4	0	0	0	114.7
597	L	50.4	Low	50.4	Low	154 Å²	154	118.4 Å²	118.4	81%	0.806	65%	0.652	S	S	*	*	S	Bend	trans	-135.7	117.2	172.2	-77.8	160.7	0	0	0	108.1	R595	R595-L597 PolarHBondContact O-N 3.37Å; R595-L597 VanDerWaalsContact O-N 3.08Å
598	A	47.3	Very low	50.6	Low	48 Å²	48	112.8 Å²	112.8	40%	0.397	63%	0.628	S	S	.	*	P	Polyproline II helix	trans	-82.5	132	173.3	0	0	0	0	0	110
599	P	52.3	Low	50.8	Low	74 Å²	74	108.3 Å²	108.3	48%	0.481	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-57.6	148.1	170.5	-24.5	33.7	0	0	0	111.9	G601 L602	P599-G601 PolarHBondContact O-N 2.75Å; P599-L602 PolarHBondContact O-N 3.42Å
600	P	48.1	Very low	51.3	Low	141 Å²	141	108 Å²	108	92%	0.916	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.9	124.4	177.1	-25.2	34.3	0	0	0	111.8
601	G	55.9	Low	51.7	Low	41 Å²	41	105.1 Å²	105.1	42%	0.423	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	102.4	11.1	-179	0	0	0	0	0	116	P599 V612	P599-G601 PolarHBondContact O-N 2.75Å; G601-V612 WeakPolarHBondContact O-CG2 3.19Å
602	L	58.2	Low	52.7	Low	72 Å²	72	101.4 Å²	101.4	38%	0.377	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.1	135.7	171.1	-70	175.9	0	0	0	111.2	P599 V609 P611	P599-L602 PolarHBondContact O-N 3.42Å; L602-V609 HydrophobicContact CB-CG1 3.59Å; L602-V609 HydrophobicContact CD1-CG1 4Å; L602-V609 HydrophobicContact CD2-CG1 4.48Å; L602-V609 HydrophobicContact CG-CG1 4.24Å; L602-P611 HydrophobicContact CD2-CB 4.43Å
603	H	55.2	Low	54.2	Low	120 Å²	120	96.6 Å²	96.6	56%	0.556	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.5	120.8	-178.1	-157.5	-52.2	0	0	0	110.7	F610	H603-F610 PolarHBondContact N-O 2.86Å; H603-F610 PolarHBondContact O-N 3.28Å; H603-F610 VanDerWaalsContact O-N 3.17Å
604	P	55.7	Low	55.3	Low	80 Å²	80	96 Å²	96	52%	0.519	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.7	137.2	169.8	31.3	-32.2	0	0	0	110.2
605	V	55.3	Low	56.6	Low	68 Å²	68	95.4 Å²	95.4	41%	0.412	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-140.6	159.7	170.5	-79.3	0	0	0	0	109.6	G607 G608 F610	V605-G607 PolarHBondContact O-N 3.45Å; V605-G608 PolarHBondContact N-O 2.72Å; V605-G608 PolarHBondContact O-N 3.06Å; V605-F610 HydrophobicContact CG2-CD2 3.46Å; V605-F610 VanDerWaalsContact CG2-CD2 3.46Å; V605-F610 HydrophobicContact CG2-CE2 3.87Å; V605-F610 HydrophobicContact CG2-CG 4.44Å
606	P	43.9	Very low	57.6	Low	141 Å²	141	89 Å²	89	92%	0.916	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	108.6	174.9	-23.5	34.8	0	0	0	110.7
607	G	55.3	Low	58.7	Low	68 Å²	68	82 Å²	82	70%	0.701	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	124.3	-18.7	-173.1	0	0	0	0	0	114.7	V605	V605-G607 PolarHBondContact O-N 3.45Å
608	G	59.1	Low	59.9	Low	27 Å²	27	79 Å²	79	28%	0.278	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	153.2	-166.7	173.8	0	0	0	0	0	115	V605	V605-G608 PolarHBondContact N-O 2.72Å; V605-G608 PolarHBondContact O-N 3.06Å
609	V	57.3	Low	61.3	Low	67 Å²	67	81.8 Å²	81.8	41%	0.406	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	114.6	174.6	-177.9	0	0	0	0	107.9	L602	L602-V609 HydrophobicContact CB-CG1 3.59Å; L602-V609 HydrophobicContact CD1-CG1 4Å; L602-V609 HydrophobicContact CD2-CG1 4.48Å; L602-V609 HydrophobicContact CG-CG1 4.24Å
610	F	56.8	Low	62.1	Low	122 Å²	122	83.2 Å²	83.2	54%	0.535	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	140.3	-177.2	-74.5	-99.5	0	0	0	111	H603 V605	H603-F610 PolarHBondContact N-O 2.86Å; H603-F610 PolarHBondContact O-N 3.28Å; H603-F610 VanDerWaalsContact O-N 3.17Å; V605-F610 HydrophobicContact CG2-CD2 3.46Å; V605-F610 VanDerWaalsContact CG2-CD2 3.46Å; V605-F610 HydrophobicContact CG2-CE2 3.87Å; V605-F610 HydrophobicContact CG2-CG 4.44Å
611	P	60.3	Low	63.3	Low	101 Å²	101	84.7 Å²	84.7	66%	0.656	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	135.7	170.4	29.6	-33.2	0	0	0	109.7	L602	L602-P611 HydrophobicContact CD2-CB 4.43Å
612	V	65.3	Low	64.3	Low	37 Å²	37	89.2 Å²	89.2	22%	0.224	53%	0.533	C	S	.	.	P	Polyproline II helix	trans	-60.8	143.5	171.1	-109.7	0	0	0	0	110	G601 V617 M620	G601-V612 WeakPolarHBondContact O-CG2 3.19Å; V612-V617 HydrophobicContact CB-CG2 3.91Å; V612-V617 HydrophobicContact CG2-CG2 3.61Å; V612-M620 HydrophobicContact CG1-SD 4.37Å; V612-M620 HydrophobicContact CG2-SD 4.33Å
613	P	75.3	Confident	65.2	Low	86 Å²	86	90.8 Å²	90.8	56%	0.558	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-53	140.8	178.1	-28.2	35.6	0	0	0	112	A615 A616 V617	P613-A615 PolarHBondContact O-N 2.86Å; P613-A615 VanDerWaalsContact O-N 3.07Å; P613-A616 WeakPolarHBondContact O-CA 3.39Å; P613-A616 WeakPolarHBondContact O-CB 3.43Å; P613-A616 PolarHBondContact O-N 3.3Å; P613-V617 PolarHBondContact O-N 2.86Å; P613-V617 VanDerWaalsContact O-N 3.09Å
614	P	69.3	Low	66	Low	110 Å²	110	89.5 Å²	89.5	71%	0.714	54%	0.543	S	S	*	.	H	α-helix	trans	-53.4	-36.6	-173.5	-30.2	35.9	0	0	0	114.6	V617 V618	P614-V617 PolarHBondContact O-N 3.02Å; P614-V618 PolarHBondContact O-N 3.12Å; P614-V618 VanDerWaalsContact O-N 3.14Å
615	A	71.7	Confident	66.8	Low	81 Å²	81	89.5 Å²	89.5	67%	0.669	54%	0.543	S	S	*	.	H	α-helix	trans	-64	-39.5	175.2	0	0	0	0	0	113	P613 V618 L619	P613-A615 PolarHBondContact O-N 2.86Å; P613-A615 VanDerWaalsContact O-N 3.07Å; A615-V618 PolarHBondContact O-N 3.46Å; A615-L619 PolarHBondContact O-N 3.41Å
616	A	69.2	Low	67.2	Low	36 Å²	36	92 Å²	92	30%	0.298	56%	0.561	S	S	.	*	H	α-helix	trans	-68	-36.8	175.3	0	0	0	0	0	111.5	P613 V618 L619 M620	P613-A616 WeakPolarHBondContact O-CA 3.39Å; P613-A616 WeakPolarHBondContact O-CB 3.43Å; P613-A616 PolarHBondContact O-N 3.3Å; A616-V618 VanDerWaalsContact C-N 3.33Å; A616-V618 PolarHBondContact O-N 3.44Å; A616-L619 PolarHBondContact O-N 3.19Å; A616-M620 WeakPolarHBondContact O-CB 3.09Å; A616-M620 VanDerWaalsContact O-CG 3.29Å; A616-M620 WeakPolarHBondContact O-CG 3.44Å; A616-M620 PolarHBondContact O-N 3.05Å
617	V	71.4	Confident	68.5	Low	48 Å²	48	91.5 Å²	91.5	29%	0.291	56%	0.556	S	S	.	*	H	α-helix	trans	-62.3	-38.9	175	177.1	0	0	0	0	111.9	V612 P613 P614 K621	V612-V617 HydrophobicContact CB-CG2 3.91Å; V612-V617 HydrophobicContact CG2-CG2 3.61Å; P613-V617 PolarHBondContact O-N 2.86Å; P613-V617 VanDerWaalsContact O-N 3.09Å; P614-V617 PolarHBondContact O-N 3.02Å; V617-K621 WeakPolarHBondContact O-CG 3.28Å; V617-K621 PolarHBondContact O-N 3.25Å; V617-K621 VanDerWaalsContact O-N 3.15Å
618	V	75.4	Confident	69.3	Low	92 Å²	92	92.5 Å²	92.5	56%	0.558	55%	0.551	S	S	*	*	H	α-helix	trans	-63.3	-46.1	174.4	173.8	0	0	0	0	110.7	P614 A615 A616 K621 L622	P614-V618 PolarHBondContact O-N 3.12Å; P614-V618 VanDerWaalsContact O-N 3.14Å; A615-V618 PolarHBondContact O-N 3.46Å; A616-V618 VanDerWaalsContact C-N 3.33Å; A616-V618 PolarHBondContact O-N 3.44Å; V618-K621 PolarHBondContact O-N 3.25Å; V618-L622 HydrophobicContact CG1-CD1 4.42Å; V618-L622 PolarHBondContact O-N 2.76Å
619	L	75.6	Confident	70.1	Confident	105 Å²	105	96.2 Å²	96.2	55%	0.55	56%	0.56	S	S	.	*	H	α-helix	trans	-62.6	-44.1	177.3	-174.8	63.6	0	0	0	112.1	A615 A616 K621 L622 L623	A615-L619 PolarHBondContact O-N 3.41Å; A616-L619 PolarHBondContact O-N 3.19Å; L619-K621 VanDerWaalsContact C-N 3.25Å; L619-K621 PolarHBondContact O-N 3.28Å; L619-L622 PolarHBondContact O-N 3.34Å; L619-L623 HydrophobicContact CG-CD1 4.14Å; L619-L623 WeakPolarHBondContact O-CG 3.41Å; L619-L623 PolarHBondContact O-N 2.7Å
620	M	70	Confident	70.5	Confident	104 Å²	104	98.6 Å²	98.6	51%	0.512	57%	0.574	S	S	.	*	H	α-helix	trans	-61.5	-30.1	177.7	-72.6	177.3	74.6	0	0	113.3	V612 A616 L622	V612-M620 HydrophobicContact CG1-SD 4.37Å; V612-M620 HydrophobicContact CG2-SD 4.33Å; A616-M620 WeakPolarHBondContact O-CB 3.09Å; A616-M620 VanDerWaalsContact O-CG 3.29Å; A616-M620 WeakPolarHBondContact O-CG 3.44Å; A616-M620 PolarHBondContact O-N 3.05Å; M620-L622 VanDerWaalsContact C-N 3.31Å
621	K	73.4	Confident	71.5	Confident	172 Å²	172	93 Å²	93	75%	0.748	55%	0.552	S	S	*	*	H	α-helix	trans	-73.3	-20.8	174.1	-75.2	178	178.5	-177.2	0	113.8	V617 V618 L619	V617-K621 WeakPolarHBondContact O-CG 3.28Å; V617-K621 PolarHBondContact O-N 3.25Å; V617-K621 VanDerWaalsContact O-N 3.15Å; V618-K621 PolarHBondContact O-N 3.25Å; L619-K621 VanDerWaalsContact C-N 3.25Å; L619-K621 PolarHBondContact O-N 3.28Å
622	L	77.2	Confident	71.6	Confident	137 Å²	137	92.1 Å²	92.1	72%	0.717	55%	0.546	S	S	*	.	H	α-helix	trans	-92.6	-14.5	179	-65.1	170.2	0	0	0	112.7	V618 L619 M620	V618-L622 HydrophobicContact CG1-CD1 4.42Å; V618-L622 PolarHBondContact O-N 2.76Å; L619-L622 PolarHBondContact O-N 3.34Å; M620-L622 VanDerWaalsContact C-N 3.31Å
623	L	75.4	Confident	72	Confident	104 Å²	104	97.9 Å²	97.9	55%	0.545	57%	0.568	S	S	.	*	S	Bend	trans	-90.2	144.5	179	-68.3	171.1	0	0	0	111.3	L619	L619-L623 HydrophobicContact CG-CD1 4.14Å; L619-L623 WeakPolarHBondContact O-CG 3.41Å; L619-L623 PolarHBondContact O-N 2.7Å
624	P	73	Confident	72	Confident	93 Å²	93	98.7 Å²	98.7	60%	0.604	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-65.5	159.1	172.5	28.9	-34.7	0	0	0	111.3	C628	P624-C628 HydrophobicContact CB-CB 4.45Å
625	P	71.6	Confident	72.4	Confident	80 Å²	80	99.6 Å²	99.6	52%	0.519	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-53.1	142	178.6	-26.9	35.3	0	0	0	112.4	T627 C628	P625-T627 PolarHBondContact O-N 3.45Å; P625-C628 VanDerWaalsContact O-CB 3.32Å; P625-C628 WeakPolarHBondContact O-CB 3.08Å; P625-C628 PolarHBondContact O-N 3.27Å
626	P	65.1	Low	72.5	Confident	121 Å²	121	100.1 Å²	100.1	79%	0.786	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-56.2	-28.5	-177.5	-28.3	35.6	0	0	0	114.5	C628 F629	P626-C628 PolarHBondContact O-N 3Å; P626-F629 PolarHBondContact O-N 2.68Å; P626-F629 VanDerWaalsContact O-N 3.09Å
627	T	69.9	Low	72.9	Confident	130 Å²	130	105.1 Å²	105.1	80%	0.798	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-63.2	-15	175.2	49.2	0	0	0	0	114.1	P625 F629	P625-T627 PolarHBondContact O-N 3.45Å; T627-F629 VanDerWaalsContact C-N 3.35Å
628	C	73.9	Confident	73.1	Confident	90 Å²	90	108.6 Å²	108.6	61%	0.608	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-84.1	-5.6	174.6	-60.5	0	0	0	0	113.6	P624 P625 P626	P624-C628 HydrophobicContact CB-CB 4.45Å; P625-C628 VanDerWaalsContact O-CB 3.32Å; P625-C628 WeakPolarHBondContact O-CB 3.08Å; P625-C628 PolarHBondContact O-N 3.27Å; P626-C628 PolarHBondContact O-N 3Å
629	F	73.9	Confident	73.2	Confident	105 Å²	105	107.6 Å²	107.6	46%	0.461	59%	0.587	S	S	.	*			trans	-106.2	110.4	179.3	-173.1	-103.8	0	0	0	111.6	P626 T627 P632 F633	P626-F629 PolarHBondContact O-N 2.68Å; P626-F629 VanDerWaalsContact O-N 3.09Å; T627-F629 VanDerWaalsContact C-N 3.35Å; F629-P632 WeakPolarHBondContact CE1-O 3.47Å; F629-P632 WeakPolarHBondContact CZ-O 3.24Å; F629-F633 HydrophobicContact CD1-CD1 4.21Å; F629-F633 AromaticContact CD1-CE1 3.85Å; F629-F633 HydrophobicContact CD1-CE1 3.85Å; F629-F633 HydrophobicContact CE1-CD1 4.1Å; F629-F633 HydrophobicContact CE1-CE1 4.18Å
630	T	67.6	Low	73.2	Confident	116 Å²	116	107.1 Å²	107.1	71%	0.712	58%	0.583	S	S	*	*			trans	-97.5	18	-177	52	0	0	0	0	113.8
631	G	76.6	Confident	73.6	Confident	6 Å²	6	105.1 Å²	105.1	6%	0.062	57%	0.572	C	S	.	*			trans	96.7	-176.8	179.4	0	0	0	0	0	114.5
632	P	63.4	Low	73.8	Confident	82 Å²	82	101.3 Å²	101.3	53%	0.532	56%	0.563	S	S	.	*	P	Polyproline II helix	cis	-67.5	142.5	-0.6	28.4	-35.2	0	0	0	112.6	F629	F629-P632 WeakPolarHBondContact CE1-O 3.47Å; F629-P632 WeakPolarHBondContact CZ-O 3.24Å
633	F	73.3	Confident	73.7	Confident	158 Å²	158	101 Å²	101	69%	0.693	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-84.8	131.5	178.7	-60.6	-80.8	0	0	0	110.2	F629	F629-F633 HydrophobicContact CD1-CD1 4.21Å; F629-F633 AromaticContact CD1-CE1 3.85Å; F629-F633 HydrophobicContact CD1-CE1 3.85Å; F629-F633 HydrophobicContact CE1-CD1 4.1Å; F629-F633 HydrophobicContact CE1-CE1 4.18Å
634	V	75.8	Confident	73.7	Confident	102 Å²	102	105.3 Å²	105.3	62%	0.618	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-73.1	141.5	175.6	-176.7	0	0	0	0	109.2	V636 L639	V634-V636 PolarHBondContact O-N 2.93Å; V634-L639 HydrophobicContact CG1-CB 4.21Å; V634-L639 HydrophobicContact CG1-CD2 4.17Å
635	Q	76.6	Confident	73.9	Confident	130 Å²	130	109.8 Å²	109.8	61%	0.607	57%	0.57	S	S	*	*			trans	-66.6	99.2	169.4	-66.3	-163.6	52.4	0	0	109.1	D637 E638 L639	Q635-D637 VanDerWaalsContact C-N 3.27Å; Q635-D637 PolarHBondContact O-N 3.14Å; Q635-E638 HydrophobicContact CB-CB 4.21Å; Q635-E638 HydrophobicContact CB-CG 4.21Å; Q635-E638 PolarHBondContact O-N 2.94Å; Q635-L639 PolarHBondContact O-N 3.11Å; Q635-L639 VanDerWaalsContact O-N 3.08Å
636	V	74.7	Confident	73.8	Confident	92 Å²	92	109.4 Å²	109.4	56%	0.558	57%	0.569	S	S	*	*	H	α-helix	trans	-61.6	-38.1	-172.3	-178.1	0	0	0	0	110.9	V634 L639 M640	V634-V636 PolarHBondContact O-N 2.93Å; V636-L639 PolarHBondContact O-N 2.77Å; V636-M640 HydrophobicContact CG1-CG 4.02Å; V636-M640 WeakPolarHBondContact O-CB 3.42Å; V636-M640 WeakPolarHBondContact O-CG 3.33Å; V636-M640 PolarHBondContact O-N 2.65Å
637	D	76.1	Confident	73.8	Confident	141 Å²	141	109.7 Å²	109.7	75%	0.754	57%	0.569	S	S	*	*	H	α-helix	trans	-66.9	-43	-179	-59.9	-52.1	0	0	0	112.6	Q635 M640 E641	Q635-D637 VanDerWaalsContact C-N 3.27Å; Q635-D637 PolarHBondContact O-N 3.14Å; D637-M640 PolarHBondContact O-N 3.43Å; D637-E641 VanDerWaalsContact O-CB 3.27Å; D637-E641 WeakPolarHBondContact O-CB 3.4Å; D637-E641 PolarHBondContact O-N 2.9Å
638	E	76.7	Confident	73.7	Confident	121 Å²	121	110.7 Å²	110.7	57%	0.565	57%	0.568	S	S	*	*	H	α-helix	trans	-64.9	-39.5	174	-67.2	-168.6	139.5	0	0	111.9	Q635 T642	Q635-E638 HydrophobicContact CB-CB 4.21Å; Q635-E638 HydrophobicContact CB-CG 4.21Å; Q635-E638 PolarHBondContact O-N 2.94Å; E638-T642 WeakPolarHBondContact O-CB 3.34Å; E638-T642 PolarHBondContact O-N 2.82Å; E638-T642 PolarHBondContact O-OG1 3.43Å
639	L	77.1	Confident	73.4	Confident	71 Å²	71	108.7 Å²	108.7	37%	0.372	55%	0.554	S	S	.	*	H	α-helix	trans	-64.6	-44.7	176.3	-178.1	68	0	0	0	111.5	V634 Q635 V636 T642 F643	V634-L639 HydrophobicContact CG1-CB 4.21Å; V634-L639 HydrophobicContact CG1-CD2 4.17Å; Q635-L639 PolarHBondContact O-N 3.11Å; Q635-L639 VanDerWaalsContact O-N 3.08Å; V636-L639 PolarHBondContact O-N 2.77Å; L639-T642 WeakPolarHBondContact O-CB 3.41Å; L639-T642 PolarHBondContact O-N 2.88Å; L639-F643 HydrophobicContact CD1-CE2 3.94Å; L639-F643 HydrophobicContact CD1-CZ 4.04Å; L639-F643 HydrophobicContact CD2-CE2 4.02Å; L639-F643 HydrophobicContact CG-CD2 4.1Å; L639-F643 HydrophobicContact CG-CE2 3.66Å; L639-F643 HydrophobicContact CG-CZ 4.28Å; L639-F643 WeakPolarHBondContact O-CD2 3.4Å; L639-F643 PolarHBondContact O-N 3.47Å
640	M	76.2	Confident	73	Confident	94 Å²	94	113.5 Å²	113.5	46%	0.463	58%	0.578	S	S	.	*	H	α-helix	trans	-69.7	-35.7	179.1	-70.7	-62.4	-68.7	0	0	112.2	V636 D637 T642 F643 R644	V636-M640 HydrophobicContact CG1-CG 4.02Å; V636-M640 WeakPolarHBondContact O-CB 3.42Å; V636-M640 WeakPolarHBondContact O-CG 3.33Å; V636-M640 PolarHBondContact O-N 2.65Å; D637-M640 PolarHBondContact O-N 3.43Å; M640-T642 VanDerWaalsContact C-N 3.34Å; M640-F643 PolarHBondContact O-N 2.96Å; M640-F643 HydrophobicContact SD-CD2 4.13Å; M640-R644 WeakPolarHBondContact O-CG 3.48Å; M640-R644 PolarHBondContact O-N 2.94Å
641	E	77.9	Confident	73	Confident	63 Å²	63	110.7 Å²	110.7	29%	0.294	56%	0.563	S	S	.	*	H	α-helix	trans	-68.4	-35.4	172.6	-172.9	59.9	-165.2	0	0	111.5	D637 R644 R645	D637-E641 VanDerWaalsContact O-CB 3.27Å; D637-E641 WeakPolarHBondContact O-CB 3.4Å; D637-E641 PolarHBondContact O-N 2.9Å; E641-R644 PolarHBondContact O-N 2.7Å; E641-R644 IonicContact OE2-NH1 3.06Å; E641-R644 PolarHBondContact OE2-NH1 3.21Å; E641-R645 WeakPolarHBondContact O-CG 3.38Å; E641-R645 PolarHBondContact O-N 3.12Å; E641-R645 VanDerWaalsContact O-N 3.13Å; E641-R645 IonicContact OE1-CZ 3.84Å; E641-R645 IonicContact OE1-NE 2.7Å; E641-R645 PolarHBondContact OE1-NE 3.39Å; E641-R645 IonicContact OE1-NH2 3.48Å; E641-R645 PolarHBondContact OE1-NH2 2.98Å
642	T	78	Confident	72.4	Confident	91 Å²	91	115.8 Å²	115.8	56%	0.558	59%	0.593	S	S	*	*	H	α-helix	trans	-63.3	-44.9	170.7	-56	0	0	0	0	111.1	E638 L639 M640 R644 R645 C646	E638-T642 WeakPolarHBondContact O-CB 3.34Å; E638-T642 PolarHBondContact O-N 2.82Å; E638-T642 PolarHBondContact O-OG1 3.43Å; L639-T642 WeakPolarHBondContact O-CB 3.41Å; L639-T642 PolarHBondContact O-N 2.88Å; M640-T642 VanDerWaalsContact C-N 3.34Å; T642-R644 PolarHBondContact O-N 2.93Å; T642-R645 PolarHBondContact O-N 3.1Å; T642-C646 WeakPolarHBondContact O-CB 3.46Å; T642-C646 PolarHBondContact O-N 3.02Å; T642-C646 VanDerWaalsContact O-N 3.09Å
643	F	75	Confident	72.4	Confident	130 Å²	130	117.8 Å²	117.8	57%	0.57	60%	0.599	S	S	*	*	H	α-helix	trans	-63.4	-38.6	175	-73.1	-43.5	0	0	0	113	L639 M640 R645 C646	L639-F643 HydrophobicContact CD1-CE2 3.94Å; L639-F643 HydrophobicContact CD1-CZ 4.04Å; L639-F643 HydrophobicContact CD2-CE2 4.02Å; L639-F643 HydrophobicContact CG-CD2 4.1Å; L639-F643 HydrophobicContact CG-CE2 3.66Å; L639-F643 HydrophobicContact CG-CZ 4.28Å; L639-F643 WeakPolarHBondContact O-CD2 3.4Å; L639-F643 PolarHBondContact O-N 3.47Å; M640-F643 PolarHBondContact O-N 2.96Å; M640-F643 HydrophobicContact SD-CD2 4.13Å; F643-R645 VanDerWaalsContact C-N 3.29Å; F643-R645 PolarHBondContact O-N 3.49Å; F643-C646 WeakPolarHBondContact O-CB 3.32Å; F643-C646 PolarHBondContact O-N 2.96Å
644	R	75.9	Confident	71.8	Confident	196 Å²	196	111.8 Å²	111.8	74%	0.74	58%	0.579	S	S	*	*	H	α-helix	trans	-63.2	-33.2	175	-78.4	179.1	-177.7	153.3	-0.2	113.5	M640 E641 T642 C646	M640-R644 WeakPolarHBondContact O-CG 3.48Å; M640-R644 PolarHBondContact O-N 2.94Å; E641-R644 PolarHBondContact O-N 2.7Å; E641-R644 IonicContact OE2-NH1 3.06Å; E641-R644 PolarHBondContact OE2-NH1 3.21Å; T642-R644 PolarHBondContact O-N 2.93Å; R644-C646 VanDerWaalsContact C-N 3.35Å
645	R	75.9	Confident	71.1	Confident	186 Å²	186	108.3 Å²	108.3	70%	0.702	56%	0.56	S	S	*	*	H	α-helix	trans	-85.6	-8.5	178	-65.4	174.1	-170.5	-164.8	5	113	E641 T642 F643 T647	E641-R645 WeakPolarHBondContact O-CG 3.38Å; E641-R645 PolarHBondContact O-N 3.12Å; E641-R645 VanDerWaalsContact O-N 3.13Å; E641-R645 IonicContact OE1-CZ 3.84Å; E641-R645 IonicContact OE1-NE 2.7Å; E641-R645 PolarHBondContact OE1-NE 3.39Å; E641-R645 IonicContact OE1-NH2 3.48Å; E641-R645 PolarHBondContact OE1-NH2 2.98Å; T642-R645 PolarHBondContact O-N 3.1Å; F643-R645 VanDerWaalsContact C-N 3.29Å; F643-R645 PolarHBondContact O-N 3.49Å; R645-T647 PolarHBondContact O-N 3.35Å
646	C	69.3	Low	70.5	Confident	73 Å²	73	105.9 Å²	105.9	49%	0.493	55%	0.554	S	S	.	*			trans	-85.5	105.7	-178.8	-164.7	0	0	0	0	110.3	T642 F643 R644 L648	T642-C646 WeakPolarHBondContact O-CB 3.46Å; T642-C646 PolarHBondContact O-N 3.02Å; T642-C646 VanDerWaalsContact O-N 3.09Å; F643-C646 WeakPolarHBondContact O-CB 3.32Å; F643-C646 PolarHBondContact O-N 2.96Å; R644-C646 VanDerWaalsContact C-N 3.35Å; C646-L648 PolarHBondContact O-N 3.28Å
647	T	65.6	Low	69.8	Low	127 Å²	127	107.5 Å²	107.5	78%	0.779	56%	0.556	S	S	*	*			trans	-73.5	108.1	170.1	49.7	0	0	0	0	109.5	R645	R645-T647 PolarHBondContact O-N 3.35Å
648	L	67.8	Low	69.2	Low	151 Å²	151	107.2 Å²	107.2	79%	0.791	55%	0.554	S	S	*	*			trans	-69	131.1	174.5	-67.3	173.2	0	0	0	110	C646	C646-L648 PolarHBondContact O-N 3.28Å
649	P	68.4	Low	68.5	Low	48 Å²	48	108.3 Å²	108.3	31%	0.312	56%	0.562	S	S	.	*			trans	-64.2	144.1	174.8	-23.9	36.5	0	0	0	112.1	S651 A654 A655 L658	P649-S651 PolarHBondContact O-N 3.42Å; P649-A654 HydrophobicContact CB-CB 3.82Å; P649-A655 HydrophobicContact CB-CB 4.22Å; P649-A655 HydrophobicContact CG-CB 3.99Å; P649-L658 HydrophobicContact CG-CD1 3.72Å
650	E	65.5	Low	67.8	Low	206 Å²	206	109.2 Å²	109.2	96%	0.963	57%	0.57	S	S	*	*	S	Bend	trans	-73.5	-11.8	-177	-61.7	-172.3	155.5	0	0	113.7
651	S	66.4	Low	66.9	Low	56 Å²	56	108.1 Å²	108.1	39%	0.392	58%	0.583	S	S	.	*	S	Bend	trans	-135.4	156.7	175.3	76.9	0	0	0	0	112.5	P649 D653 A654 A655	P649-S651 PolarHBondContact O-N 3.42Å; S651-D653 VanDerWaalsContact C-N 3.3Å; S651-D653 PolarHBondContact O-N 3.33Å; S651-A654 PolarHBondContact O-N 2.82Å; S651-A654 WeakPolarHBondContact OG-CB 3.43Å; S651-A654 PolarHBondContact OG-N 3.08Å; S651-A655 PolarHBondContact O-N 2.75Å
652	V	64.8	Low	65.1	Low	114 Å²	114	115.2 Å²	115.2	69%	0.691	61%	0.607	S	S	*	*	H	α-helix	trans	-63.2	-38.6	176.6	179.5	0	0	0	0	110.8	A655 V656	V652-A655 WeakPolarHBondContact O-CB 3.44Å; V652-A655 PolarHBondContact O-N 3.03Å; V652-V656 WeakPolarHBondContact O-CG2 3.32Å; V652-V656 PolarHBondContact O-N 2.96Å
653	D	62.3	Low	63.1	Low	123 Å²	123	119.6 Å²	119.6	66%	0.658	62%	0.621	S	S	*	*	H	α-helix	trans	-65	-42.5	-179.8	-55.1	-54.2	0	0	0	111.8	S651 A655 V656 E657	S651-D653 VanDerWaalsContact C-N 3.3Å; S651-D653 PolarHBondContact O-N 3.33Å; D653-A655 VanDerWaalsContact C-N 3.27Å; D653-A655 PolarHBondContact O-N 3.01Å; D653-V656 PolarHBondContact O-N 2.88Å; D653-V656 VanDerWaalsContact O-N 3.1Å; D653-E657 PolarHBondContact O-N 3.47Å
654	A	60.8	Low	61.7	Low	33 Å²	33	118.8 Å²	118.8	27%	0.273	63%	0.629	S	S	.	*	H	α-helix	trans	-64.9	-30	175.1	0	0	0	0	0	112.6	P649 S651 L658	P649-A654 HydrophobicContact CB-CB 3.82Å; S651-A654 PolarHBondContact O-N 2.82Å; S651-A654 WeakPolarHBondContact OG-CB 3.43Å; S651-A654 PolarHBondContact OG-N 3.08Å; A654-L658 WeakPolarHBondContact O-CB 3.33Å; A654-L658 PolarHBondContact O-N 3.3Å
655	A	61	Low	59.7	Low	28 Å²	28	119 Å²	119	23%	0.231	64%	0.638	C	S	.	*	H	α-helix	trans	-71.8	-36.1	171.5	0	0	0	0	0	112.6	P649 S651 V652 D653 L658 I659	P649-A655 HydrophobicContact CB-CB 4.22Å; P649-A655 HydrophobicContact CG-CB 3.99Å; S651-A655 PolarHBondContact O-N 2.75Å; V652-A655 WeakPolarHBondContact O-CB 3.44Å; V652-A655 PolarHBondContact O-N 3.03Å; D653-A655 VanDerWaalsContact C-N 3.27Å; D653-A655 PolarHBondContact O-N 3.01Å; A655-L658 PolarHBondContact O-N 3.34Å; A655-I659 WeakPolarHBondContact O-CB 3.49Å; A655-I659 WeakPolarHBondContact O-CD1 3.29Å; A655-I659 WeakPolarHBondContact O-CG1 3.35Å; A655-I659 PolarHBondContact O-N 2.64Å; A655-I659 VanDerWaalsContact O-N 3.1Å
656	V	64	Low	57.6	Low	79 Å²	79	114.5 Å²	114.5	48%	0.479	64%	0.642	S	S	.	*	H	α-helix	trans	-67.9	-40.9	176.4	172.6	0	0	0	0	111.5	V652 D653 I659 T660	V652-V656 WeakPolarHBondContact O-CG2 3.32Å; V652-V656 PolarHBondContact O-N 2.96Å; D653-V656 PolarHBondContact O-N 2.88Å; D653-V656 VanDerWaalsContact O-N 3.1Å; V656-I659 PolarHBondContact O-N 2.92Å; V656-T660 HydrophobicContact CG1-CG2 4.42Å; V656-T660 WeakPolarHBondContact O-CB 3.4Å; V656-T660 WeakPolarHBondContact O-CG2 3.34Å; V656-T660 PolarHBondContact O-N 2.9Å; V656-T660 PolarHBondContact O-OG1 2.9Å
657	E	61.3	Low	55.7	Low	127 Å²	127	116.1 Å²	116.1	59%	0.593	66%	0.66	S	S	*	*	H	α-helix	trans	-60.1	-48.1	173.1	-74.1	-169.6	138.8	0	0	112	D653 I659 T660 G661	D653-E657 PolarHBondContact O-N 3.47Å; E657-I659 VanDerWaalsContact C-N 3.3Å; E657-I659 PolarHBondContact O-N 3.4Å; E657-T660 PolarHBondContact O-N 2.86Å; E657-G661 PolarHBondContact O-N 3.18Å
658	L	63.3	Low	54	Low	135 Å²	135	113.9 Å²	113.9	71%	0.707	66%	0.662	S	S	*	*	H	α-helix	trans	-60.9	-34.5	179.3	-107.4	159	0	0	0	113.7	P649 A654 A655	P649-L658 HydrophobicContact CG-CD1 3.72Å; A654-L658 WeakPolarHBondContact O-CB 3.33Å; A654-L658 PolarHBondContact O-N 3.3Å; A655-L658 PolarHBondContact O-N 3.34Å
659	I	61.5	Low	52.1	Low	144 Å²	144	116.7 Å²	116.7	74%	0.738	67%	0.671	S	S	*	*	H	α-helix	trans	-82.5	-31.2	-178.8	-68.9	166.9	0	0	0	112	A655 V656 E657	A655-I659 WeakPolarHBondContact O-CB 3.49Å; A655-I659 WeakPolarHBondContact O-CD1 3.29Å; A655-I659 WeakPolarHBondContact O-CG1 3.35Å; A655-I659 PolarHBondContact O-N 2.64Å; A655-I659 VanDerWaalsContact O-N 3.1Å; V656-I659 PolarHBondContact O-N 2.92Å; E657-I659 VanDerWaalsContact C-N 3.3Å; E657-I659 PolarHBondContact O-N 3.4Å
660	T	63.3	Low	50.2	Low	89 Å²	89	118 Å²	118	55%	0.546	69%	0.694	S	S	.	*	H	α-helix	trans	-103.7	-16.6	-171.2	61.8	0	0	0	0	114.8	V656 E657 R662	V656-T660 HydrophobicContact CG1-CG2 4.42Å; V656-T660 WeakPolarHBondContact O-CB 3.4Å; V656-T660 WeakPolarHBondContact O-CG2 3.34Å; V656-T660 PolarHBondContact O-N 2.9Å; V656-T660 PolarHBondContact O-OG1 2.9Å; E657-T660 PolarHBondContact O-N 2.86Å; T660-R662 VanDerWaalsContact C-N 3.33Å; T660-R662 PolarHBondContact O-N 2.77Å
661	G	56.3	Low	48.4	Very low	72 Å²	72	116.1 Å²	116.1	74%	0.742	69%	0.69	S	S	*	*			trans	64	28.6	166.5	0	0	0	0	0	115.7	E657	E657-G661 PolarHBondContact O-N 3.18Å
662	R	40.5	Very low	46.4	Very low	212 Å²	212	117 Å²	117	80%	0.8	71%	0.708	S	S	*	*			trans	-117.6	126.5	-176	-116.4	179.2	177.3	-178.8	-2.6	112	T660	T660-R662 VanDerWaalsContact C-N 3.33Å; T660-R662 PolarHBondContact O-N 2.77Å
663	Q	37.1	Very low	44.9	Very low	182 Å²	182	117.5 Å²	117.5	85%	0.85	71%	0.714	S	S	*	*			trans	-66.7	152.1	157.6	-86.6	-173	-22.6	0	0	110.1
664	P	44.7	Very low	43.2	Very low	113 Å²	113	119.3 Å²	119.3	73%	0.734	72%	0.722	S	S	*	*			trans	-81.7	124.9	-168.3	31.4	-34.5	0	0	0	112
665	E	34.4	Very low	41.5	Very low	200 Å²	200	125.4 Å²	125.4	94%	0.935	75%	0.745	S	S	*	*			trans	-133	151.8	158.4	-78.4	-153.5	145.8	0	0	112.1
666	A	30.5	Very low	39.8	Very low	93 Å²	93	129.7 Å²	129.7	77%	0.769	76%	0.764	S	S	*	*			trans	-87.7	163.4	-161.8	0	0	0	0	0	114.4
667	A	30	Very low	38	Very low	107 Å²	107	134.2 Å²	134.2	88%	0.884	78%	0.78	S	S	*	*			trans	50.5	111.3	147.7	0	0	0	0	0	119
668	G	29.2	Very low	36.3	Very low	80 Å²	80	133.2 Å²	133.2	83%	0.825	79%	0.793	S	S	*	*			trans	-176.8	108.9	163.7	0	0	0	0	0	112.2
669	E	29.4	Very low	34.6	Very low	209 Å²	209	133.4 Å²	133.4	98%	0.977	80%	0.801	S	S	*	*			trans	-74.7	153	169.6	-60.3	176.7	127	0	0	110.9
670	G	27.6	Very low	33.2	Very low	76 Å²	76	131.1 Å²	131.1	78%	0.784	80%	0.803	S	S	*	*			trans	122.1	134.2	154.6	0	0	0	0	0	117.6
671	N	27.9	Very low	31.6	Very low	167 Å²	167	137.1 Å²	137.1	89%	0.893	82%	0.822	S	S	*	*			trans	-14.4	141.9	165.9	-62.1	-23.5	0	0	0	119.4
672	G	25	Very low	30.4	Very low	74 Å²	74	139 Å²	139	76%	0.763	82%	0.823	S	S	*	*			trans	-76.2	-155.9	172	0	0	0	0	0	114.8
673	P	32.1	Very low	29.8	Very low	125 Å²	125	137.5 Å²	137.5	81%	0.812	83%	0.83	S	S	*	*			cis	-124.6	-174.1	18.1	42.3	-28.1	0	0	0	115.7
674	L	26.7	Very low	29.3	Very low	160 Å²	160	138.2 Å²	138.2	84%	0.838	83%	0.831	S	S	*	*			trans	-45	151.7	169.8	-62.5	131.3	0	0	0	112.5
675	E	25.5	Very low	28.5	Very low	161 Å²	161	144.1 Å²	144.1	75%	0.752	84%	0.838	S	S	*	*				-174.6	169.7	60	-153.3	174.6	-127.6	0	0	113.7
676	N	25.3	Very low	28.5	Very low	118 Å²	118	140.4 Å²	140.4	63%	0.631	83%	0.832	S	S	*	*			trans	107.1	137.3	148.2	-76.7	-51.1	0	0	0	124.1
677	H	25.7	Very low	28.6	Very low	174 Å²	174	142.4 Å²	142.4	81%	0.806	83%	0.829	S	S	*	*			trans	72.6	104.1	163.9	-62.2	-50.9	0	0	0	121.4
678	A	26.5	Very low	28.8	Very low	106 Å²	106	141.6 Å²	141.6	88%	0.876	82%	0.823	S	S	*	*			trans	-123	118.2	145.7	0	0	0	0	0	109.5
679	T	26.5	Very low	28.9	Very low	140 Å²	140	144.1 Å²	144.1	86%	0.859	82%	0.817	S	S	*	*			trans	-92.8	146.8	169.3	34.6	0	0	0	0	110.7
680	A	33.3	Very low	28.9	Very low	96 Å²	96	138.4 Å²	138.4	79%	0.793	80%	0.8	S	S	*	*			trans	-73.1	157.6	-171.6	0	0	0	0	0	114.2
681	K	28.4	Very low	29.1	Very low	215 Å²	215	141.6 Å²	141.6	94%	0.935	80%	0.8	S	S	*	*			trans	-153.5	137	140.6	-112.3	163.7	-171.7	176.6	0	111.8
682	S	31.8	Very low	29.3	Very low	110 Å²	110	142.9 Å²	142.9	77%	0.769	80%	0.8	S	S	*	*			trans	-90.5	167.2	177.2	54.4	0	0	0	0	111.5
683	L	27.5	Very low	29.9	Very low	181 Å²	181	148 Å²	148	95%	0.948	80%	0.804	S	S	*	*			trans	-144.5	150.8	158.1	-105.1	163	0	0	0	111.2
684	K	27.2	Very low	29.9	Very low	198 Å²	198	149.1 Å²	149.1	86%	0.861	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-90.2	160.5	-159	-71.4	175.7	168.6	-177.9	0	114.6
685	R	28.6	Very low	30.1	Very low	236 Å²	236	147.8 Å²	147.8	89%	0.891	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-89.5	152.7	148.3	-72.5	-177.7	175.7	175.5	-1.4	110.3
686	P	33.6	Very low	30.5	Very low	123 Å²	123	150 Å²	150	80%	0.799	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-92.9	153.1	167.4	34.3	-29.5	0	0	0	113.4
687	N	33.5	Very low	31	Very low	135 Å²	135	147.3 Å²	147.3	72%	0.722	80%	0.804	S	S	*	*			trans	-40.5	165.6	168.2	-54.7	22	0	0	0	114	D689	N687-D689 PolarHBondContact ND2-OD2 3.19Å
688	A	33.3	Very low	31.4	Very low	90 Å²	90	144.1 Å²	144.1	74%	0.744	81%	0.808	S	S	*	*			cis	-166.2	173.9	39.8	0	0	0	0	0	112.1
689	D	31.1	Very low	32.1	Very low	132 Å²	132	147 Å²	147	71%	0.706	81%	0.807	S	S	*	*			cis	-176.2	164.8	-32.7	-78.2	-30.9	0	0	0	104	N687	N687-D689 PolarHBondContact ND2-OD2 3.19Å
690	S	30.6	Very low	33.2	Very low	90 Å²	90	144.2 Å²	144.2	63%	0.629	80%	0.798	S	S	*	*			cis	-153.6	175.2	6.6	80.6	0	0	0	0	112.1
691	D	31.5	Very low	33.8	Very low	143 Å²	143	144.2 Å²	144.2	77%	0.765	79%	0.79	S	S	*	*			trans	39.6	129.2	146.5	-36.6	-37.2	0	0	0	121.8
692	E	32.1	Very low	34.9	Very low	194 Å²	194	138.7 Å²	138.7	91%	0.907	78%	0.776	S	S	*	*			cis	-141.9	159.5	37.4	-72.1	-179.4	151.4	0	0	114
693	E	36.3	Very low	35.8	Very low	182 Å²	182	141 Å²	141	85%	0.85	78%	0.778	S	S	*	*			trans	-83	171.8	-177.4	-47.9	174.6	133.7	0	0	111.6
694	D	32.3	Very low	36.9	Very low	147 Å²	147	138.3 Å²	138.3	79%	0.786	76%	0.761	S	S	*	*			cis	-161.2	179	11.4	-150.1	-8.3	0	0	0	113.4
695	D	32.5	Very low	38.6	Very low	132 Å²	132	131.9 Å²	131.9	71%	0.706	74%	0.736	S	S	*	*			trans	75.4	89.5	156.5	-155.8	7.8	0	0	0	120.1
696	K	33.1	Very low	40.1	Very low	207 Å²	207	124.7 Å²	124.7	90%	0.9	71%	0.714	S	S	*	*			trans	-131.7	113.9	140.5	-83.9	-169.3	178	175.1	0	111.7
697	G	34.8	Very low	40.8	Very low	62 Å²	62	127.2 Å²	127.2	64%	0.639	71%	0.709	S	S	*	*			trans	-30.7	140.4	177.3	0	0	0	0	0	118.8	I699	G697-I699 PolarHBondContact O-N 3.47Å
698	A	35.9	Very low	41.9	Very low	108 Å²	108	128.1 Å²	128.1	89%	0.893	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-56.4	130.1	179.9	0	0	0	0	0	113.7	A700	A698-A700 PolarHBondContact O-N 3.4Å
699	I	40.5	Very low	43	Very low	167 Å²	167	126.1 Å²	126.1	86%	0.856	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-76	118.7	176	-62.6	172.2	0	0	0	109.4	G697	G697-I699 PolarHBondContact O-N 3.47Å
700	A	49	Very low	44.2	Very low	81 Å²	81	128.5 Å²	128.5	67%	0.669	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-65.4	142.3	171.9	0	0	0	0	0	111	A698	A698-A700 PolarHBondContact O-N 3.4Å
701	P	46.5	Very low	45.2	Very low	96 Å²	96	129.4 Å²	129.4	62%	0.623	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-66.4	151.2	-176.6	26.9	-34.7	0	0	0	112.3
702	P	50.4	Low	46.3	Very low	99 Å²	99	129.2 Å²	129.2	64%	0.643	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-59	137.5	-175.3	-25.5	34.9	0	0	0	114	H704 D705	P702-H704 PolarHBondContact O-N 3.43Å; P702-D705 PolarHBondContact O-N 3.14Å
703	I	52.6	Low	47.2	Very low	158 Å²	158	128.7 Å²	128.7	81%	0.81	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-15.8	-173.5	-61.7	169.3	0	0	0	113.2
704	H	49.8	Very low	47.9	Very low	124 Å²	124	131 Å²	131	57%	0.574	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.1	41.4	-175.3	-60.3	-43.4	0	0	0	113.9	P702 I706	P702-H704 PolarHBondContact O-N 3.43Å; H704-I706 PolarHBondContact O-N 3.01Å
705	D	63.7	Low	48.7	Very low	63 Å²	63	130.7 Å²	130.7	34%	0.337	67%	0.666	S	S	.	*			trans	-67.7	95.1	167.2	-178	-8.2	0	0	0	111.2	P702 Y707 R708 A709	P702-D705 PolarHBondContact O-N 3.14Å; D705-Y707 PolarHBondContact O-N 3.29Å; D705-Y707 WeakPolarHBondContact OD1-CA 3.47Å; D705-Y707 WeakPolarHBondContact OD1-CB 3.37Å; D705-Y707 PolarHBondContact OD1-N 2.96Å; D705-R708 HydrophobicContact CB-CB 4.21Å; D705-R708 PolarHBondContact O-N 3Å; D705-R708 PolarHBondContact OD1-N 3.34Å; D705-R708 WeakPolarHBondContact OD2-CB 3.44Å; D705-R708 WeakPolarHBondContact OD2-CG 3.36Å; D705-A709 WeakPolarHBondContact O-CB 3.32Å; D705-A709 PolarHBondContact O-N 2.98Å
706	I	58.5	Low	48.9	Very low	86 Å²	86	138.8 Å²	138.8	44%	0.441	69%	0.687	S	S	.	*	H	α-helix	trans	-62.5	-28.1	178.8	-55.7	173.9	0	0	0	111.5	H704 R710	H704-I706 PolarHBondContact O-N 3.01Å; I706-R710 HydrophobicContact CG2-CG 4.49Å; I706-R710 WeakPolarHBondContact O-CB 3.26Å; I706-R710 VanDerWaalsContact O-CG 3.26Å; I706-R710 WeakPolarHBondContact O-CG 3.44Å; I706-R710 PolarHBondContact O-N 3.36Å
707	Y	49.8	Very low	49.7	Very low	175 Å²	175	135.4 Å²	135.4	69%	0.686	68%	0.676	S	S	*	*	H	α-helix	trans	-74.6	-47.1	-179	-164.8	-99.7	0	0	0	110.8	D705 R710 Q711	D705-Y707 PolarHBondContact O-N 3.29Å; D705-Y707 WeakPolarHBondContact OD1-CA 3.47Å; D705-Y707 WeakPolarHBondContact OD1-CB 3.37Å; D705-Y707 PolarHBondContact OD1-N 2.96Å; Y707-R710 PolarHBondContact O-N 2.99Å; Y707-Q711 PolarHBondContact O-N 3.42Å
708	R	55.4	Low	50.5	Low	154 Å²	154	139.3 Å²	139.3	58%	0.581	68%	0.678	S	S	*	*	H	α-helix	trans	-62.1	-42.3	170.2	-95.6	-175.6	174.4	-159.1	0	112.6	D705 R710 Q711 Q712	D705-R708 HydrophobicContact CB-CB 4.21Å; D705-R708 PolarHBondContact O-N 3Å; D705-R708 PolarHBondContact OD1-N 3.34Å; D705-R708 WeakPolarHBondContact OD2-CB 3.44Å; D705-R708 WeakPolarHBondContact OD2-CG 3.36Å; R708-R710 VanDerWaalsContact C-N 3.26Å; R708-R710 PolarHBondContact O-N 3.17Å; R708-Q711 PolarHBondContact O-N 3.48Å; R708-Q711 VanDerWaalsContact O-N 3.17Å; R708-Q712 WeakPolarHBondContact O-CG 3.48Å; R708-Q712 PolarHBondContact O-N 3.37Å
709	A	55.7	Low	51.3	Low	48 Å²	48	141 Å²	141	40%	0.397	67%	0.666	S	S	.	*	H	α-helix	trans	-61.6	-34.7	177.4	0	0	0	0	0	112.4	D705 K713	D705-A709 WeakPolarHBondContact O-CB 3.32Å; D705-A709 PolarHBondContact O-N 2.98Å; A709-K713 WeakPolarHBondContact O-CB 3.41Å; A709-K713 PolarHBondContact O-N 3.45Å; A709-K713 VanDerWaalsContact O-N 3.14Å
710	R	57	Low	52	Low	182 Å²	182	139.5 Å²	139.5	69%	0.687	66%	0.655	S	S	*	*	H	α-helix	trans	-73	-36.3	173.1	-77.9	176.7	178.3	-168.4	0.5	113.1	I706 Y707 R708 R714	I706-R710 HydrophobicContact CG2-CG 4.49Å; I706-R710 WeakPolarHBondContact O-CB 3.26Å; I706-R710 VanDerWaalsContact O-CG 3.26Å; I706-R710 WeakPolarHBondContact O-CG 3.44Å; I706-R710 PolarHBondContact O-N 3.36Å; Y707-R710 PolarHBondContact O-N 2.99Å; R708-R710 VanDerWaalsContact C-N 3.26Å; R708-R710 PolarHBondContact O-N 3.17Å; R710-R714 PolarHBondContact O-N 3.5Å
711	Q	52	Low	52.2	Low	109 Å²	109	143.1 Å²	143.1	51%	0.509	65%	0.654	S	S	.	*	H	α-helix	trans	-66.7	-45	172.3	-79	-158.9	-25.5	0	0	112	Y707 R708 K713 R714 I715	Y707-Q711 PolarHBondContact O-N 3.42Å; R708-Q711 PolarHBondContact O-N 3.48Å; R708-Q711 VanDerWaalsContact O-N 3.17Å; Q711-K713 VanDerWaalsContact C-N 3.28Å; Q711-K713 PolarHBondContact O-N 3.48Å; Q711-R714 PolarHBondContact O-N 3.4Å; Q711-I715 PolarHBondContact O-N 3.32Å
712	Q	54.1	Low	52.5	Low	140 Å²	140	146.3 Å²	146.3	65%	0.654	66%	0.656	S	S	*	*	H	α-helix	trans	-62.2	-33.8	176.9	-72.8	179.3	-18.4	0	0	112.6	R708 R714 I715	R708-Q712 WeakPolarHBondContact O-CG 3.48Å; R708-Q712 PolarHBondContact O-N 3.37Å; Q712-R714 VanDerWaalsContact C-N 3.27Å; Q712-R714 PolarHBondContact O-N 2.97Å; Q712-I715 PolarHBondContact O-N 2.86Å
713	K	51.8	Low	52.7	Low	183 Å²	183	149.6 Å²	149.6	80%	0.796	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-9.3	172	-85.1	-170.8	173.3	-175	0	115.3	A709 Q711	A709-K713 WeakPolarHBondContact O-CB 3.41Å; A709-K713 PolarHBondContact O-N 3.45Å; A709-K713 VanDerWaalsContact O-N 3.14Å; Q711-K713 VanDerWaalsContact C-N 3.28Å; Q711-K713 PolarHBondContact O-N 3.48Å
714	R	50.3	Low	52.7	Low	229 Å²	229	149 Å²	149	86%	0.864	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	-1.5	172.7	-83.1	-174.7	168.8	-176.2	-3.5	113.5	R710 Q711 Q712	R710-R714 PolarHBondContact O-N 3.5Å; Q711-R714 PolarHBondContact O-N 3.4Å; Q712-R714 VanDerWaalsContact C-N 3.27Å; Q712-R714 PolarHBondContact O-N 2.97Å
715	I	49.1	Very low	52.9	Low	142 Å²	142	151.1 Å²	151.1	73%	0.728	65%	0.652	S	S	*	*			trans	-116.2	38.7	-179.5	-51.2	171.6	0	0	0	109.2	Q711 Q712	Q711-I715 PolarHBondContact O-N 3.32Å; Q712-I715 PolarHBondContact O-N 2.86Å
716	R	37.8	Very low	51.9	Low	302 Å²	302	159.1 Å²	159.1	100%	1.14	68%	0.68	S	S	*	*			trans	-145.5	0	167.5	-87	-164.8	175.3	-171.3	-0.7	109.4

Retrieved 716 of 716 residues in 232.7 ms (Link to these results)

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