A0A077ZC50_TRITR Loading...

Citrate synthase

AlphaFold DB , UniProt , Accession A0A077ZC50, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 427 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	55.5	Low	82.4	Confident	218 Å²	218	100.5 Å²	100.5	100%	1.074	53%	0.531	S	S	*	.				0	133.2	0	-77.4	-170.5	-106.9	0	0	106.7
2	A	67	Low	81.2	Confident	26 Å²	26	98.1 Å²	98.1	22%	0.215	55%	0.548	C	S	.	.			trans	-72.2	140.8	175.5	0	0	0	0	0	110.9	T4 D19 V20	A2-T4 PolarHBondContact O-N 3.48Å; A2-D19 HydrophobicContact CB-CB 4.25Å; A2-V20 WeakPolarHBondContact CB-O 3.38Å
3	D	80.3	Confident	80.5	Confident	173 Å²	173	99.5 Å²	99.5	93%	0.925	55%	0.554	S	S	*	*	S	Bend	trans	-68.4	-25.8	176.9	-67.3	-30.1	0	0	0	112.2
4	T	90	Very high	80.4	Confident	65 Å²	65	101.6 Å²	101.6	40%	0.399	57%	0.571	S	S	.	*			trans	-104.8	132.2	179.4	-53	0	0	0	0	110.4	A2 V20	A2-T4 PolarHBondContact O-N 3.48Å; T4-V20 HydrophobicContact CG2-CB 4.11Å; T4-V20 HydrophobicContact CG2-CG2 4.04Å; T4-V20 PolarHBondContact O-N 3.08Å; T4-V20 VanDerWaalsContact O-N 3.08Å
5	K	91.3	Very high	80.8	Confident	75 Å²	75	98.3 Å²	98.3	33%	0.326	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.2	139.2	176.6	-56.2	-65	-171.7	175	0	110	L18 D19	K5-L18 CarbonylContact C-O 3.58Å; K5-L18 WeakPolarHBondContact CA-O 3.42Å; K5-D19 IonicContact NZ-OD1 2.66Å; K5-D19 PolarHBondContact NZ-OD1 2.74Å; K5-D19 IonicContact NZ-OD2 3.22Å; K5-D19 PolarHBondContact NZ-OD2 2.59Å
6	A	93.6	Very high	81.3	Confident	22 Å²	22	93.9 Å²	93.9	18%	0.182	54%	0.537	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	150.4	163.6	0	0	0	0	0	109.3	L18 V20 I30	A6-L18 HydrophobicContact CB-CB 4.49Å; A6-L18 PolarHBondContact N-O 2.93Å; A6-L18 PolarHBondContact O-N 3.05Å; A6-V20 HydrophobicContact CB-CG2 3.99Å; A6-I30 HydrophobicContact CB-CD1 3.97Å; A6-I30 HydrophobicContact CB-CG1 4.19Å; A6-I30 HydrophobicContact CB-CG2 4.21Å
7	K	90.7	Very high	81.9	Confident	152 Å²	152	95.2 Å²	95.2	66%	0.661	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.4	174.6	-68.2	-175.7	178.1	-177.6	0	109.3
8	L	91.4	Very high	82.7	Confident	53 Å²	53	90.4 Å²	90.4	28%	0.277	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.6	172.1	179.2	67.2	0	0	0	108.8	L10 V16 L18 L35	L8-L10 HydrophobicContact CD1-CD2 4.36Å; L8-L10 HydrophobicContact CD1-CG 4.41Å; L8-L10 HydrophobicContact CD2-CD1 4.02Å; L8-L10 HydrophobicContact CD2-CG 4.29Å; L8-L10 HydrophobicContact CG-CD1 4.38Å; L8-L10 HydrophobicContact CG-CG 4.12Å; L8-V16 PolarHBondContact N-O 3.49Å; L8-V16 PolarHBondContact O-N 2.61Å; L8-L18 HydrophobicContact CB-CD1 4.09Å; L8-L18 HydrophobicContact CD2-CD1 4.37Å; L8-L35 HydrophobicContact CD2-CD1 4.06Å; L8-L35 HydrophobicContact CD2-CD2 4Å
9	T	88.7	Confident	83.4	Confident	88 Å²	88	88.1 Å²	88.1	54%	0.54	50%	0.496	S	S	.	.			trans	-113.9	121.3	172.7	-59.2	0	0	0	0	108.4
10	L	83.1	Confident	84.1	Confident	74 Å²	74	84.6 Å²	84.6	39%	0.387	48%	0.477	S	S	.	.			trans	-113.4	129.1	177.6	-67.7	165.8	0	0	0	108.5	L8 G12 D13 V40	L8-L10 HydrophobicContact CD1-CD2 4.36Å; L8-L10 HydrophobicContact CD1-CG 4.41Å; L8-L10 HydrophobicContact CD2-CD1 4.02Å; L8-L10 HydrophobicContact CD2-CG 4.29Å; L8-L10 HydrophobicContact CG-CD1 4.38Å; L8-L10 HydrophobicContact CG-CG 4.12Å; L10-G12 PolarHBondContact O-N 2.98Å; L10-D13 PolarHBondContact O-N 3.35Å; L10-D13 VanDerWaalsContact O-N 3.11Å; L10-V40 HydrophobicContact CD1-CB 4.24Å; L10-V40 HydrophobicContact CD1-CG1 3.61Å; L10-V40 HydrophobicContact CD1-CG2 3.55Å
11	N	74.5	Confident	84.8	Confident	159 Å²	159	83.5 Å²	83.5	85%	0.85	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	23.4	174.1	-60.7	-20.8	0	0	0	117.1	D13	N11-D13 PolarHBondContact O-N 3.31Å
12	G	67.9	Low	86.7	Confident	72 Å²	72	79.8 Å²	79.8	74%	0.742	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	2.9	-179.2	0	0	0	0	0	114.7	L10	L10-G12 PolarHBondContact O-N 2.98Å
13	D	72.1	Confident	88.1	Confident	116 Å²	116	81.2 Å²	81.2	62%	0.62	47%	0.465	S	S	*	.	S	Bend	trans	-86.6	172	174.9	-70.3	-44.4	0	0	0	112.4	L10 N11 A15	L10-D13 PolarHBondContact O-N 3.35Å; L10-D13 VanDerWaalsContact O-N 3.11Å; N11-D13 PolarHBondContact O-N 3.31Å; D13-A15 PolarHBondContact O-N 3.19Å
14	T	79.2	Confident	89	Confident	130 Å²	130	80.1 Å²	80.1	80%	0.798	46%	0.464	S	S	*	.			trans	-32.3	121	-178.9	-51.3	0	0	0	0	113.8	V16	T14-V16 PolarHBondContact O-N 3.15Å
15	A	86.6	Confident	89.3	Confident	52 Å²	52	81.7 Å²	81.7	43%	0.43	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-59.9	130.9	175	0	0	0	0	0	111	D13	D13-A15 PolarHBondContact O-N 3.19Å
16	V	89.2	Confident	89.5	Confident	28 Å²	28	80.4 Å²	80.4	17%	0.17	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	119.2	171.8	-177.7	0	0	0	0	108	L8 T14 L18 L35 K38	L8-V16 PolarHBondContact N-O 3.49Å; L8-V16 PolarHBondContact O-N 2.61Å; T14-V16 PolarHBondContact O-N 3.15Å; V16-L18 HydrophobicContact CG1-CD2 3.91Å; V16-L18 HydrophobicContact CG1-CG 4.37Å; V16-L35 HydrophobicContact CG1-CD2 4.08Å; V16-K38 HydrophobicContact CG1-CD 3.82Å; V16-K38 HydrophobicContact CG2-CD 4.01Å
17	E	92.1	Very high	89.6	Confident	116 Å²	116	87.8 Å²	87.8	54%	0.542	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	133	170.8	-61.8	-166.2	153.7	0	0	110.1
18	L	95.7	Very high	89.9	Confident	9 Å²	9	84.3 Å²	84.3	5%	0.047	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.1	178.6	-59	174.2	0	0	0	109	K5 A6 L8 V16 I30 I32 L35	K5-L18 CarbonylContact C-O 3.58Å; K5-L18 WeakPolarHBondContact CA-O 3.42Å; A6-L18 HydrophobicContact CB-CB 4.49Å; A6-L18 PolarHBondContact N-O 2.93Å; A6-L18 PolarHBondContact O-N 3.05Å; L8-L18 HydrophobicContact CB-CD1 4.09Å; L8-L18 HydrophobicContact CD2-CD1 4.37Å; V16-L18 HydrophobicContact CG1-CD2 3.91Å; V16-L18 HydrophobicContact CG1-CG 4.37Å; L18-I30 HydrophobicContact CB-CG2 3.67Å; L18-I30 HydrophobicContact CD1-CG2 3.72Å; L18-I30 HydrophobicContact CG-CG2 4.34Å; L18-I32 HydrophobicContact CD1-CG2 4.4Å; L18-L35 HydrophobicContact CD1-CD1 4.26Å; L18-L35 HydrophobicContact CD1-CD2 4.22Å; L18-L35 HydrophobicContact CD1-CG 4.42Å; L18-L35 HydrophobicContact CD2-CD2 3.7Å; L18-L35 HydrophobicContact CD2-CG 4.04Å
19	D	96.7	Very high	90.2	Very high	46 Å²	46	84.7 Å²	84.7	25%	0.246	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	134.8	179.2	-73.3	34.5	0	0	0	109.8	A2 K5 L21 D31	A2-D19 HydrophobicContact CB-CB 4.25Å; K5-D19 IonicContact NZ-OD1 2.66Å; K5-D19 PolarHBondContact NZ-OD1 2.74Å; K5-D19 IonicContact NZ-OD2 3.22Å; K5-D19 PolarHBondContact NZ-OD2 2.59Å; D19-L21 HydrophobicContact CB-CD2 4.24Å; D19-D31 HydrophobicContact CB-CB 4.3Å; D19-D31 WeakPolarHBondContact O-CB 3.45Å; D19-D31 PolarHBondContact O-N 3.02Å
20	V	97.5	Very high	90.7	Very high	18 Å²	18	85.1 Å²	85.1	11%	0.109	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	118.4	168.7	-178.9	0	0	0	0	107.8	A2 T4 A6 D28 V29	A2-V20 WeakPolarHBondContact CB-O 3.38Å; T4-V20 HydrophobicContact CG2-CB 4.11Å; T4-V20 HydrophobicContact CG2-CG2 4.04Å; T4-V20 PolarHBondContact O-N 3.08Å; T4-V20 VanDerWaalsContact O-N 3.08Å; A6-V20 HydrophobicContact CB-CG2 3.99Å; V20-D28 HydrophobicContact CG1-CB 3.69Å; V20-V29 CarbonylContact C-O 3.56Å; V20-V29 WeakPolarHBondContact CA-O 3.37Å
21	L	97.2	Very high	91.3	Very high	61 Å²	61	82.8 Å²	82.8	32%	0.319	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	142.1	179.1	-50.4	-179.4	0	0	0	109.5	D19 D28 V29 D31	D19-L21 HydrophobicContact CB-CD2 4.24Å; L21-D28 WeakPolarHBondContact O-CA 3.37Å; L21-V29 HydrophobicContact CB-CG2 3.85Å; L21-V29 PolarHBondContact N-O 3.43Å; L21-V29 PolarHBondContact O-N 3.45Å; L21-D31 HydrophobicContact CD1-CB 4Å; L21-D31 HydrophobicContact CG-CB 4.12Å
22	K	97	Very high	92.4	Very high	141 Å²	141	78.2 Å²	78.2	61%	0.613	46%	0.463	S	S	*	.			trans	-113.9	134.2	179.5	-55.5	-163.2	169	-173.4	0	110	D28	K22-D28 VanDerWaalsContact CE-OD2 3.26Å; K22-D28 WeakPolarHBondContact CE-OD2 3.22Å; K22-D28 WeakPolarHBondContact CG-OD1 3.44Å; K22-D28 IonicContact NZ-OD2 3.74Å
23	G	96.3	Very high	93.7	Very high	56 Å²	56	84 Å²	84	58%	0.577	46%	0.462	S	S	*	.			trans	-82	175	166.3	0	0	0	0	0	111.7	L25	G23-L25 VanDerWaalsContact C-N 3.3Å
24	T	97.8	Very high	94.7	Very high	149 Å²	149	81.6 Å²	81.6	91%	0.914	45%	0.452	S	S	*	.	S	Bend	trans	-66.7	-36.6	168.4	-51.1	0	0	0	0	111.3
25	L	97.4	Very high	95.4	Very high	98 Å²	98	75.7 Å²	75.7	51%	0.513	42%	0.415	S	S	.	.	S	Bend	trans	-138.8	164.2	175.1	-66	173.7	0	0	0	108.9	G23 F59 L68	G23-L25 VanDerWaalsContact C-N 3.3Å; L25-F59 HydrophobicContact CB-CD1 4.34Å; L25-F59 HydrophobicContact CB-CD2 3.79Å; L25-F59 HydrophobicContact CB-CE1 4.08Å; L25-F59 HydrophobicContact CB-CE2 3.51Å; L25-F59 HydrophobicContact CB-CG 4.21Å; L25-F59 HydrophobicContact CB-CZ 3.67Å; L25-F59 HydrophobicContact CD1-CD1 3.74Å; L25-F59 HydrophobicContact CD1-CD2 4.49Å; L25-F59 HydrophobicContact CD1-CE1 3.89Å; L25-F59 HydrophobicContact CD1-CG 4.05Å; L25-F59 HydrophobicContact CD1-CZ 4.35Å; L25-L68 HydrophobicContact CD1-CD1 3.99Å
26	G	95.7	Very high	95.7	Very high	49 Å²	49	74.8 Å²	74.8	51%	0.505	41%	0.411	S	S	.	.	S	Bend	trans	89.2	-169.3	179.9	0	0	0	0	0	113.8
27	Q	95.3	Very high	95.9	Very high	176 Å²	176	78.4 Å²	78.4	82%	0.822	44%	0.437	S	S	*	.			trans	-82.4	151.8	-177	-63.3	-65.3	-36.5	0	0	112
28	D	97	Very high	95.9	Very high	79 Å²	79	77.8 Å²	77.8	42%	0.422	43%	0.433	S	S	.	.			trans	-62.6	146.5	169.2	-72.8	2.4	0	0	0	110.6	V20 L21 K22	V20-D28 HydrophobicContact CG1-CB 3.69Å; L21-D28 WeakPolarHBondContact O-CA 3.37Å; K22-D28 VanDerWaalsContact CE-OD2 3.26Å; K22-D28 WeakPolarHBondContact CE-OD2 3.22Å; K22-D28 WeakPolarHBondContact CG-OD1 3.44Å; K22-D28 IonicContact NZ-OD2 3.74Å
29	V	97.7	Very high	95.7	Very high	62 Å²	62	80.2 Å²	80.2	38%	0.376	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	147.3	177.2	-59.3	0	0	0	0	111.6	V20 L21 A51	V20-V29 CarbonylContact C-O 3.56Å; V20-V29 WeakPolarHBondContact CA-O 3.37Å; L21-V29 HydrophobicContact CB-CG2 3.85Å; L21-V29 PolarHBondContact N-O 3.43Å; L21-V29 PolarHBondContact O-N 3.45Å; V29-A51 HydrophobicContact CG1-CB 4.02Å
30	I	97.9	Very high	95.5	Very high	96 Å²	96	79.8 Å²	79.8	49%	0.492	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123	177	-59.4	175	0	0	0	109.2	A6 L18 I32	A6-I30 HydrophobicContact CB-CD1 3.97Å; A6-I30 HydrophobicContact CB-CG1 4.19Å; A6-I30 HydrophobicContact CB-CG2 4.21Å; L18-I30 HydrophobicContact CB-CG2 3.67Å; L18-I30 HydrophobicContact CD1-CG2 3.72Å; L18-I30 HydrophobicContact CG-CG2 4.34Å; I30-I32 HydrophobicContact CG2-CG2 4.31Å; I30-I32 PolarHBondContact O-N 3.27Å; I30-I32 VanDerWaalsContact O-N 3.17Å
31	D	97.2	Very high	95.4	Very high	25 Å²	25	84.8 Å²	84.8	13%	0.134	48%	0.48	C	S	.	.			trans	-75.6	104.7	178.4	-173.3	-2	0	0	0	111.8	D19 L21 R33	D19-D31 HydrophobicContact CB-CB 4.3Å; D19-D31 WeakPolarHBondContact O-CB 3.45Å; D19-D31 PolarHBondContact O-N 3.02Å; L21-D31 HydrophobicContact CD1-CB 4Å; L21-D31 HydrophobicContact CG-CB 4.12Å; D31-R33 VanDerWaalsContact CG-NE 3.31Å; D31-R33 WeakPolarHBondContact OD1-CB 3.1Å; D31-R33 WeakPolarHBondContact OD1-CG 3.47Å; D31-R33 IonicContact OD1-CZ 3.54Å; D31-R33 PolarHBondContact OD1-N 2.87Å; D31-R33 IonicContact OD1-NE 3.44Å; D31-R33 PolarHBondContact OD1-NE 3.16Å; D31-R33 IonicContact OD1-NH2 3.42Å; D31-R33 IonicContact OD2-CZ 2.99Å; D31-R33 VanDerWaalsContact OD2-CZ 3.22Å; D31-R33 IonicContact OD2-NE 2.74Å; D31-R33 PolarHBondContact OD2-NE 3.16Å; D31-R33 IonicContact OD2-NH2 3.73Å; D31-R33 PolarHBondContact OD2-NH2 3.24Å
32	I	96.8	Very high	95.4	Very high	63 Å²	63	86 Å²	86	32%	0.323	49%	0.49	S	S	.	.			trans	-98.3	8.7	178.1	64.1	168.1	0	0	0	113.9	L18 I30 T34 L35 T42	L18-I32 HydrophobicContact CD1-CG2 4.4Å; I30-I32 HydrophobicContact CG2-CG2 4.31Å; I30-I32 PolarHBondContact O-N 3.27Å; I30-I32 VanDerWaalsContact O-N 3.17Å; I32-T34 PolarHBondContact O-N 3.16Å; I32-L35 HydrophobicContact CB-CB 4.49Å; I32-L35 HydrophobicContact CB-CD1 3.74Å; I32-L35 HydrophobicContact CB-CG 4.03Å; I32-L35 HydrophobicContact CG2-CD1 3.64Å; I32-L35 HydrophobicContact CG2-CG 4.31Å; I32-L35 WeakPolarHBondContact O-CB 3.46Å; I32-L35 PolarHBondContact O-N 3.5Å; I32-T42 HydrophobicContact CD1-CG2 3.87Å
33	R	95.3	Very high	95.4	Very high	195 Å²	195	86.2 Å²	86.2	74%	0.736	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-26	-176.9	-70.9	176.8	-69.1	-171.4	-1.6	113.2	D31	D31-R33 VanDerWaalsContact CG-NE 3.31Å; D31-R33 WeakPolarHBondContact OD1-CB 3.1Å; D31-R33 WeakPolarHBondContact OD1-CG 3.47Å; D31-R33 IonicContact OD1-CZ 3.54Å; D31-R33 PolarHBondContact OD1-N 2.87Å; D31-R33 IonicContact OD1-NE 3.44Å; D31-R33 PolarHBondContact OD1-NE 3.16Å; D31-R33 IonicContact OD1-NH2 3.42Å; D31-R33 IonicContact OD2-CZ 2.99Å; D31-R33 VanDerWaalsContact OD2-CZ 3.22Å; D31-R33 IonicContact OD2-NE 2.74Å; D31-R33 PolarHBondContact OD2-NE 3.16Å; D31-R33 IonicContact OD2-NH2 3.73Å; D31-R33 PolarHBondContact OD2-NH2 3.24Å
34	T	93.8	Very high	95.5	Very high	64 Å²	64	85 Å²	85	39%	0.393	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	0.2	179.8	73.8	0	0	0	0	114.4	I32 S37 K38	I32-T34 PolarHBondContact O-N 3.16Å; T34-S37 PolarHBondContact O-OG 3.35Å; T34-K38 PolarHBondContact O-NZ 3.2Å; T34-K38 PolarHBondContact OG1-NZ 3.45Å
35	L	94	Very high	95.4	Very high	7 Å²	7	82.1 Å²	82.1	4%	0.037	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-40.2	179.2	-74.3	-171	0	0	0	112	L8 V16 L18 I32 S37 K38 G39 V40	L8-L35 HydrophobicContact CD2-CD1 4.06Å; L8-L35 HydrophobicContact CD2-CD2 4Å; V16-L35 HydrophobicContact CG1-CD2 4.08Å; L18-L35 HydrophobicContact CD1-CD1 4.26Å; L18-L35 HydrophobicContact CD1-CD2 4.22Å; L18-L35 HydrophobicContact CD1-CG 4.42Å; L18-L35 HydrophobicContact CD2-CD2 3.7Å; L18-L35 HydrophobicContact CD2-CG 4.04Å; I32-L35 HydrophobicContact CB-CB 4.49Å; I32-L35 HydrophobicContact CB-CD1 3.74Å; I32-L35 HydrophobicContact CB-CG 4.03Å; I32-L35 HydrophobicContact CG2-CD1 3.64Å; I32-L35 HydrophobicContact CG2-CG 4.31Å; I32-L35 WeakPolarHBondContact O-CB 3.46Å; I32-L35 PolarHBondContact O-N 3.5Å; L35-S37 VanDerWaalsContact C-N 3.27Å; L35-S37 PolarHBondContact O-N 3.18Å; L35-K38 CarbonylContact O-C 3.57Å; L35-K38 WeakPolarHBondContact O-CA 3.31Å; L35-K38 WeakPolarHBondContact O-CB 3.29Å; L35-K38 PolarHBondContact O-N 2.88Å; L35-G39 PolarHBondContact O-N 2.83Å; L35-V40 CarbonylContact C-O 3.47Å; L35-V40 HydrophobicContact CB-CB 4.38Å; L35-V40 HydrophobicContact CD1-CG1 4.41Å; L35-V40 PolarHBondContact O-N 3.28Å; L35-V40 VanDerWaalsContact O-O 3.12Å
36	G	93.1	Very high	95.2	Very high	32 Å²	32	80.4 Å²	80.4	33%	0.33	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-60.4	-34.5	-178.4	0	0	0	0	0	113.5	K38 G39 V40	G36-K38 PolarHBondContact O-N 3.13Å; G36-G39 PolarHBondContact O-N 3.27Å; G36-V40 WeakPolarHBondContact CA-O 3.45Å; G36-V40 PolarHBondContact N-O 2.87Å
37	S	92.9	Very high	95.3	Very high	105 Å²	105	84.2 Å²	84.2	73%	0.734	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-71.8	-13.6	175.3	59.7	0	0	0	0	113.5	T34 L35	T34-S37 PolarHBondContact O-OG 3.35Å; L35-S37 VanDerWaalsContact C-N 3.27Å; L35-S37 PolarHBondContact O-N 3.18Å
38	K	91.2	Very high	95.2	Very high	102 Å²	102	80.9 Å²	80.9	44%	0.443	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-97.3	9.7	173.5	-56.5	-176.3	-173.8	80.2	0	112.6	V16 T34 L35 G36 V40	V16-K38 HydrophobicContact CG1-CD 3.82Å; V16-K38 HydrophobicContact CG2-CD 4.01Å; T34-K38 PolarHBondContact O-NZ 3.2Å; T34-K38 PolarHBondContact OG1-NZ 3.45Å; L35-K38 CarbonylContact O-C 3.57Å; L35-K38 WeakPolarHBondContact O-CA 3.31Å; L35-K38 WeakPolarHBondContact O-CB 3.29Å; L35-K38 PolarHBondContact O-N 2.88Å; G36-K38 PolarHBondContact O-N 3.13Å; K38-V40 VanDerWaalsContact C-N 3.27Å; K38-V40 PolarHBondContact O-N 3.06Å
39	G	91.1	Very high	95.2	Very high	61 Å²	61	82.2 Å²	82.2	63%	0.629	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	12	-179.2	0	0	0	0	0	114.4	L35 G36	L35-G39 PolarHBondContact O-N 2.83Å; G36-G39 PolarHBondContact O-N 3.27Å
40	V	92.5	Very high	95.1	Very high	37 Å²	37	81.5 Å²	81.5	22%	0.224	47%	0.468	C	S	.	.			trans	-108.8	132.3	-178.5	179.6	0	0	0	0	109.6	L10 L35 G36 K38	L10-V40 HydrophobicContact CD1-CB 4.24Å; L10-V40 HydrophobicContact CD1-CG1 3.61Å; L10-V40 HydrophobicContact CD1-CG2 3.55Å; L35-V40 CarbonylContact C-O 3.47Å; L35-V40 HydrophobicContact CB-CB 4.38Å; L35-V40 HydrophobicContact CD1-CG1 4.41Å; L35-V40 PolarHBondContact O-N 3.28Å; L35-V40 VanDerWaalsContact O-O 3.12Å; G36-V40 WeakPolarHBondContact CA-O 3.45Å; G36-V40 PolarHBondContact N-O 2.87Å; K38-V40 VanDerWaalsContact C-N 3.27Å; K38-V40 PolarHBondContact O-N 3.06Å
41	F	95.7	Very high	95.1	Very high	122 Å²	122	80.4 Å²	80.4	54%	0.535	47%	0.473	S	S	.	.			trans	-129.1	149.9	174.5	-56.9	-79.4	0	0	0	109.9	R410	F41-R410 HydrophobicContact CD1-CG 3.9Å; F41-R410 HydrophobicContact CE1-CG 4.06Å
42	T	97.2	Very high	95.1	Very high	86 Å²	86	83.1 Å²	83.1	53%	0.528	49%	0.494	S	S	.	.			trans	-85.7	159.4	171.6	56.6	0	0	0	0	110.6	I32	I32-T42 HydrophobicContact CD1-CG2 3.87Å
43	F	97.7	Very high	95.1	Very high	146 Å²	146	82 Å²	82	64%	0.64	49%	0.491	S	S	*	.			trans	-126	104.1	173.9	-177.6	-108.5	0	0	0	108.7	P45 L412	F43-P45 HydrophobicContact CD1-CG 4.13Å; F43-P45 HydrophobicContact CD2-CG 4.27Å; F43-P45 HydrophobicContact CE1-CG 3.54Å; F43-P45 HydrophobicContact CE2-CG 3.69Å; F43-P45 HydrophobicContact CG-CG 4.48Å; F43-P45 HydrophobicContact CZ-CG 3.3Å; F43-L412 HydrophobicContact CD2-CB 4Å; F43-L412 HydrophobicContact CD2-CD2 4.27Å; F43-L412 HydrophobicContact CE2-CB 3.82Å; F43-L412 HydrophobicContact CE2-CD2 4.05Å; F43-L412 HydrophobicContact CZ-CD2 4.3Å
44	D	97.9	Very high	95.1	Very high	30 Å²	30	79.3 Å²	79.3	16%	0.16	49%	0.487	C	S	.	.			trans	-137.4	70.4	-177.4	-178.7	21.3	0	0	0	110.9	G46 F47 T48 S49 T50	D44-G46 PolarHBondContact O-N 2.8Å; D44-G46 VanDerWaalsContact O-N 3.14Å; D44-F47 PolarHBondContact O-N 3.21Å; D44-F47 VanDerWaalsContact OD2-CA 3.27Å; D44-F47 WeakPolarHBondContact OD2-CA 3.25Å; D44-T48 PolarHBondContact OD1-N 3.3Å; D44-T48 PolarHBondContact OD1-OG1 2.78Å; D44-T48 PolarHBondContact OD2-N 2.96Å; D44-T48 VanDerWaalsContact OD2-N 3.14Å; D44-S49 WeakPolarHBondContact OD2-CA 3.29Å; D44-S49 PolarHBondContact OD2-N 3.04Å; D44-T50 WeakPolarHBondContact OD2-CB 3.46Å; D44-T50 PolarHBondContact OD2-N 3.22Å; D44-T50 VanDerWaalsContact OD2-N 3.14Å; D44-T50 PolarHBondContact OD2-OG1 3.04Å
45	P	96.8	Very high	95.4	Very high	89 Å²	89	78.1 Å²	78.1	58%	0.578	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	119.3	173.3	-23.1	34.1	0	0	0	111.1	F43	F43-P45 HydrophobicContact CD1-CG 4.13Å; F43-P45 HydrophobicContact CD2-CG 4.27Å; F43-P45 HydrophobicContact CE1-CG 3.54Å; F43-P45 HydrophobicContact CE2-CG 3.69Å; F43-P45 HydrophobicContact CG-CG 4.48Å; F43-P45 HydrophobicContact CZ-CG 3.3Å
46	G	93.3	Very high	95.6	Very high	63 Å²	63	84.3 Å²	84.3	65%	0.649	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	-0.5	-177.8	0	0	0	0	0	115.1	D44 T48	D44-G46 PolarHBondContact O-N 2.8Å; D44-G46 VanDerWaalsContact O-N 3.14Å; G46-T48 VanDerWaalsContact C-N 3.26Å; G46-T48 PolarHBondContact O-N 3.36Å
47	F	96.2	Very high	95.8	Very high	128 Å²	128	82.9 Å²	82.9	56%	0.561	49%	0.493	S	S	*	.			trans	57.9	34.8	175.3	-56.6	-76.3	0	0	0	113.9	D44 S49 T50	D44-F47 PolarHBondContact O-N 3.21Å; D44-F47 VanDerWaalsContact OD2-CA 3.27Å; D44-F47 WeakPolarHBondContact OD2-CA 3.25Å; F47-S49 PolarHBondContact O-N 3.38Å; F47-T50 HydrophobicContact CD1-CG2 4.14Å
48	T	93.8	Very high	96.1	Very high	106 Å²	106	78.4 Å²	78.4	65%	0.65	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-24.3	-176	62.2	0	0	0	0	113.3	D44 G46	D44-T48 PolarHBondContact OD1-N 3.3Å; D44-T48 PolarHBondContact OD1-OG1 2.78Å; D44-T48 PolarHBondContact OD2-N 2.96Å; D44-T48 VanDerWaalsContact OD2-N 3.14Å; G46-T48 VanDerWaalsContact C-N 3.26Å; G46-T48 PolarHBondContact O-N 3.36Å
49	S	96.2	Very high	96.5	Very high	108 Å²	108	75.6 Å²	75.6	76%	0.755	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.5	15.4	-175.9	-54.8	0	0	0	0	112	D44 F47	D44-S49 WeakPolarHBondContact OD2-CA 3.29Å; D44-S49 PolarHBondContact OD2-N 3.04Å; F47-S49 PolarHBondContact O-N 3.38Å
50	T	97.5	Very high	96.8	Very high	47 Å²	47	73.6 Å²	73.6	29%	0.288	42%	0.423	S	S	.	.			trans	-120.5	110.5	-173.9	-57.8	0	0	0	0	111	D44 F47 S52	D44-T50 WeakPolarHBondContact OD2-CB 3.46Å; D44-T50 PolarHBondContact OD2-N 3.22Å; D44-T50 VanDerWaalsContact OD2-N 3.14Å; D44-T50 PolarHBondContact OD2-OG1 3.04Å; F47-T50 HydrophobicContact CD1-CG2 4.14Å; T50-S52 PolarHBondContact O-N 3.01Å
51	A	97.1	Very high	97	Very high	73 Å²	73	74.2 Å²	74.2	60%	0.603	43%	0.425	S	S	*	.			trans	-79	107.9	167.4	0	0	0	0	0	109.9	V29	V29-A51 HydrophobicContact CG1-CB 4.02Å
52	S	96.2	Very high	96.9	Very high	82 Å²	82	69 Å²	69	57%	0.573	41%	0.406	S	S	*	.			trans	-83.7	-16.1	-172.2	60.1	0	0	0	0	115.2	T50	T50-S52 PolarHBondContact O-N 3.01Å
53	C	96.9	Very high	96.6	Very high	39 Å²	39	68.2 Å²	68.2	26%	0.264	40%	0.399	S	S	.	.			trans	-152.5	158	-177.1	59	0	0	0	0	112.1
54	E	97.1	Very high	96.4	Very high	138 Å²	138	67.2 Å²	67.2	65%	0.645	40%	0.396	S	S	*	.			trans	-84.3	142.8	157.3	-173.4	-178.7	147.4	0	0	107.9	K56	E54-K56 IonicContact OE1-NZ 3.27Å
55	S	98.3	Very high	96.2	Very high	40 Å²	40	65.9 Å²	65.9	28%	0.28	39%	0.39	S	S	.	.			trans	-149.4	149.9	177.4	-169.1	0	0	0	0	111.4	I57 R240 E398	S55-I57 PolarHBondContact OG-N 2.95Å; S55-R240 PolarHBondContact OG-NH2 2.93Å; S55-E398 WeakPolarHBondContact CA-OE1 3.28Å; S55-E398 WeakPolarHBondContact CA-OE2 3.42Å; S55-E398 VanDerWaalsContact CB-OE2 3.23Å; S55-E398 WeakPolarHBondContact CB-OE2 3.36Å; S55-E398 VanDerWaalsContact OG-CD 3.29Å; S55-E398 PolarHBondContact OG-OE1 3.41Å; S55-E398 PolarHBondContact OG-OE2 2.81Å
56	K	98.5	Very high	96.2	Very high	137 Å²	137	64.7 Å²	64.7	60%	0.596	38%	0.378	S	S	*	.	S	Bend	trans	-123.1	11.5	178.5	-63	167.1	-172.9	151.3	0	112	E54 R70 E398	E54-K56 IonicContact OE1-NZ 3.27Å; K56-R70 WeakPolarHBondContact O-CD 3.38Å; K56-R70 PolarHBondContact O-NH1 3.29Å; K56-E398 PolarHBondContact N-OE1 3.31Å
57	I	98.8	Very high	96.5	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	35%	0.348	C	S	.	.	S	Bend	trans	-85.6	-59.4	-172	-67.1	161	0	0	0	111.1	S55 R70 L90 A394 H395 E398	S55-I57 PolarHBondContact OG-N 2.95Å; I57-R70 PolarHBondContact O-N 3.02Å; I57-L90 HydrophobicContact CG2-CD2 3.8Å; I57-A394 VanDerWaalsContact CD1-C 3.46Å; I57-A394 HydrophobicContact CD1-CB 3.92Å; I57-A394 HydrophobicContact CG1-CB 4.41Å; I57-A394 HydrophobicContact CG2-CB 4.32Å; I57-H395 HydrophobicContact CD1-CB 4.32Å; I57-H395 VanDerWaalsContact CD1-ND1 3.29Å; I57-H395 WeakPolarHBondContact CD1-ND1 3.24Å; I57-E398 HydrophobicContact CD1-CB 3.87Å; I57-E398 HydrophobicContact CD1-CG 4.36Å
58	T	98.8	Very high	96.6	Very high	12 Å²	12	57.1 Å²	57.1	7%	0.074	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.4	-174.6	-64.2	0	0	0	0	109.4	I60 L67 L68 H69 D229 E231	T58-I60 HydrophobicContact CG2-CG1 4.31Å; T58-L67 HydrophobicContact CG2-CD1 3.46Å; T58-L67 VanDerWaalsContact CG2-CD1 3.46Å; T58-L68 CarbonylContact C-O 3.54Å; T58-L68 WeakPolarHBondContact CA-O 3.41Å; T58-L68 WeakPolarHBondContact CG2-O 3.08Å; T58-H69 PolarHBondContact OG1-CE1 2.8Å; T58-H69 PolarHBondContact OG1-ND1 3.15Å; T58-D229 WeakPolarHBondContact CB-OD2 3.29Å; T58-D229 PolarHBondContact OG1-OD2 2.89Å; T58-E231 HydrophobicContact CG2-CB 4.02Å
59	F	98.6	Very high	96.8	Very high	42 Å²	42	52.1 Å²	52.1	18%	0.184	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.2	172.2	171	-101.5	0	0	0	109.5	L25 D61 I66 L68	L25-F59 HydrophobicContact CB-CD1 4.34Å; L25-F59 HydrophobicContact CB-CD2 3.79Å; L25-F59 HydrophobicContact CB-CE1 4.08Å; L25-F59 HydrophobicContact CB-CE2 3.51Å; L25-F59 HydrophobicContact CB-CG 4.21Å; L25-F59 HydrophobicContact CB-CZ 3.67Å; L25-F59 HydrophobicContact CD1-CD1 3.74Å; L25-F59 HydrophobicContact CD1-CD2 4.49Å; L25-F59 HydrophobicContact CD1-CE1 3.89Å; L25-F59 HydrophobicContact CD1-CG 4.05Å; L25-F59 HydrophobicContact CD1-CZ 4.35Å; F59-D61 HydrophobicContact CE1-CB 4.04Å; F59-D61 HydrophobicContact CZ-CB 4.07Å; F59-I66 HydrophobicContact CD1-CG2 4.28Å; F59-I66 HydrophobicContact CE1-CG2 4.25Å; F59-L68 HydrophobicContact CB-CB 4.36Å; F59-L68 HydrophobicContact CD1-CD1 3.87Å; F59-L68 HydrophobicContact CD1-CG 4.18Å; F59-L68 PolarHBondContact N-O 3.34Å; F59-L68 PolarHBondContact O-N 3.18Å
60	I	97.9	Very high	97	Very high	19 Å²	19	49.8 Å²	49.8	10%	0.097	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.5	173	-63.7	173.7	0	0	0	110.3	T58 I66 L67 H230 E231 V308 Y309	T58-I60 HydrophobicContact CG2-CG1 4.31Å; I60-I66 WeakPolarHBondContact CA-O 3.35Å; I60-L67 HydrophobicContact CD1-CD1 4.08Å; I60-L67 HydrophobicContact CG1-CD1 3.62Å; I60-H230 VanDerWaalsContact CD1-CE1 3.44Å; I60-H230 WeakPolarHBondContact CD1-CE1 3.17Å; I60-E231 HydrophobicContact CD1-CB 3.75Å; I60-E231 HydrophobicContact CG1-CB 4.26Å; I60-E231 PolarHBondContact N-OE2 2.9Å; I60-V308 HydrophobicContact CG2-CG1 3.42Å; I60-V308 VanDerWaalsContact CG2-CG1 3.42Å; I60-Y309 HydrophobicContact CG2-CD1 4.32Å; I60-Y309 HydrophobicContact CG2-CE1 3.58Å
61	D	96.6	Very high	97	Very high	50 Å²	50	50 Å²	50	27%	0.267	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	106	157.7	-164.6	-41.1	0	0	0	108.4	F59 D63 E64 G65 I66	F59-D61 HydrophobicContact CE1-CB 4.04Å; F59-D61 HydrophobicContact CZ-CB 4.07Å; D61-D63 VanDerWaalsContact C-N 3.28Å; D61-D63 PolarHBondContact O-N 3.22Å; D61-D63 PolarHBondContact OD1-N 3.34Å; D61-E64 HydrophobicContact CB-CB 4.27Å; D61-E64 PolarHBondContact OD1-N 3.44Å; D61-E64 VanDerWaalsContact OD1-N 3.17Å; D61-G65 WeakPolarHBondContact O-CA 3.24Å; D61-G65 PolarHBondContact O-N 3.12Å; D61-I66 HydrophobicContact CB-CB 3.9Å; D61-I66 HydrophobicContact CB-CD1 4.21Å; D61-I66 HydrophobicContact CB-CG1 4.29Å; D61-I66 PolarHBondContact N-O 3.17Å; D61-I66 PolarHBondContact O-N 3.49Å
62	G	92.8	Very high	97.1	Very high	12 Å²	12	49.7 Å²	49.7	12%	0.124	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-30.4	-179.4	0	0	0	0	0	113	V308 Y309 K310	G62-V308 VanDerWaalsContact CA-O 3.26Å; G62-V308 WeakPolarHBondContact CA-O 3.38Å; G62-Y309 CarbonylContact O-C 3.15Å; G62-Y309 VanDerWaalsContact O-CA 3.25Å; G62-Y309 WeakPolarHBondContact O-CA 3.48Å; G62-K310 PolarHBondContact O-N 3.01Å
63	D	91.3	Very high	97.2	Very high	71 Å²	71	47.4 Å²	47.4	38%	0.38	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-43.4	-174.7	-69.3	6.4	0	0	0	109.9	D61 K310 N311	D61-D63 VanDerWaalsContact C-N 3.28Å; D61-D63 PolarHBondContact O-N 3.22Å; D61-D63 PolarHBondContact OD1-N 3.34Å; D63-K310 HydrophobicContact CB-CD 4.46Å; D63-K310 WeakPolarHBondContact OD1-CD 3.36Å; D63-K310 WeakPolarHBondContact OD1-CE 3.43Å; D63-K310 IonicContact OD1-NZ 3.54Å; D63-K310 PolarHBondContact OD1-NZ 3.13Å; D63-K310 IonicContact OD2-NZ 3.99Å; D63-K310 PolarHBondContact OD2-NZ 2.88Å; D63-N311 PolarHBondContact O-ND2 3.19Å
64	E	93.5	Very high	97.3	Very high	124 Å²	124	45.6 Å²	45.6	58%	0.579	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-5.8	-179.8	-61.4	-56.7	129.7	0	0	113.7	D61 I66	D61-E64 HydrophobicContact CB-CB 4.27Å; D61-E64 PolarHBondContact OD1-N 3.44Å; D61-E64 VanDerWaalsContact OD1-N 3.17Å; E64-I66 HydrophobicContact CB-CD1 3.83Å; E64-I66 HydrophobicContact CB-CG1 3.9Å
65	G	94.4	Very high	97.3	Very high	3 Å²	3	42.8 Å²	42.8	3%	0.031	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	38.1	-179.3	0	0	0	0	0	112.7	D61 P314	D61-G65 WeakPolarHBondContact O-CA 3.24Å; D61-G65 PolarHBondContact O-N 3.12Å; G65-P314 VanDerWaalsContact O-CB 3.24Å; G65-P314 WeakPolarHBondContact O-CB 3.37Å; G65-P314 VanDerWaalsContact O-CG 3.31Å; G65-P314 WeakPolarHBondContact O-CG 3.29Å
66	I	97.4	Very high	97.3	Very high	64 Å²	64	45.5 Å²	45.5	33%	0.328	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	133.4	-178.3	-60.6	174.6	0	0	0	109.6	F59 I60 D61 E64 L68	F59-I66 HydrophobicContact CD1-CG2 4.28Å; F59-I66 HydrophobicContact CE1-CG2 4.25Å; I60-I66 WeakPolarHBondContact CA-O 3.35Å; D61-I66 HydrophobicContact CB-CB 3.9Å; D61-I66 HydrophobicContact CB-CD1 4.21Å; D61-I66 HydrophobicContact CB-CG1 4.29Å; D61-I66 PolarHBondContact N-O 3.17Å; D61-I66 PolarHBondContact O-N 3.49Å; E64-I66 HydrophobicContact CB-CD1 3.83Å; E64-I66 HydrophobicContact CB-CG1 3.9Å; I66-L68 HydrophobicContact CG2-CD1 4.26Å; I66-L68 HydrophobicContact CG2-CD2 3.79Å; I66-L68 HydrophobicContact CG2-CG 3.72Å
67	L	98.4	Very high	97.3	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	118.4	168.2	173.7	62.4	0	0	0	109.2	T58 I60 I74 P314 R315	T58-L67 HydrophobicContact CG2-CD1 3.46Å; T58-L67 VanDerWaalsContact CG2-CD1 3.46Å; I60-L67 HydrophobicContact CD1-CD1 4.08Å; I60-L67 HydrophobicContact CG1-CD1 3.62Å; L67-I74 HydrophobicContact CB-CB 4.2Å; L67-I74 HydrophobicContact CB-CG2 3.83Å; L67-I74 HydrophobicContact CD2-CB 3.92Å; L67-I74 HydrophobicContact CD2-CD1 4.45Å; L67-I74 HydrophobicContact CD2-CG1 3.86Å; L67-I74 HydrophobicContact CD2-CG2 4.04Å; L67-I74 HydrophobicContact CG-CB 3.97Å; L67-I74 HydrophobicContact CG-CG1 4.42Å; L67-I74 HydrophobicContact CG-CG2 4.12Å; L67-I74 PolarHBondContact O-N 3.32Å; L67-P314 HydrophobicContact CB-CG 3.81Å; L67-R315 HydrophobicContact CD2-CG 3.6Å
68	L	98.7	Very high	97.2	Very high	27 Å²	27	39.6 Å²	39.6	14%	0.141	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.2	179.4	-48.9	178.9	0	0	0	110.3	L25 T58 F59 I66 F72 P73	L25-L68 HydrophobicContact CD1-CD1 3.99Å; T58-L68 CarbonylContact C-O 3.54Å; T58-L68 WeakPolarHBondContact CA-O 3.41Å; T58-L68 WeakPolarHBondContact CG2-O 3.08Å; F59-L68 HydrophobicContact CB-CB 4.36Å; F59-L68 HydrophobicContact CD1-CD1 3.87Å; F59-L68 HydrophobicContact CD1-CG 4.18Å; F59-L68 PolarHBondContact N-O 3.34Å; F59-L68 PolarHBondContact O-N 3.18Å; I66-L68 HydrophobicContact CG2-CD1 4.26Å; I66-L68 HydrophobicContact CG2-CD2 3.79Å; I66-L68 HydrophobicContact CG2-CG 3.72Å; L68-F72 CarbonylContact C-O 3.52Å; L68-F72 VanDerWaalsContact CA-O 3.29Å; L68-F72 WeakPolarHBondContact CA-O 3.29Å; L68-P73 HydrophobicContact CD2-CB 4.16Å; L68-P73 HydrophobicContact CD2-CG 3.96Å
69	H	98.8	Very high	97.2	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	116.9	166.2	-63.3	-40.9	0	0	0	109	T58 G71 F72 L77 L90 D229	T58-H69 PolarHBondContact OG1-CE1 2.8Å; T58-H69 PolarHBondContact OG1-ND1 3.15Å; H69-G71 PolarHBondContact O-N 3.43Å; H69-G71 VanDerWaalsContact O-N 3.15Å; H69-F72 PolarHBondContact N-O 3.45Å; H69-F72 WeakPolarHBondContact O-CB 3.3Å; H69-F72 WeakPolarHBondContact O-CD2 3.48Å; H69-F72 PolarHBondContact O-N 3.04Å; H69-L77 HydrophobicContact CB-CD1 3.74Å; H69-L90 HydrophobicContact CB-CD2 3.86Å; H69-D229 PolarHBondContact CE1-O 2.93Å
70	R	98.6	Very high	97.2	Very high	59 Å²	59	46.3 Å²	46.3	22%	0.223	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	32.4	-172.1	-55.7	-55.7	-169.2	166.4	4.7	113.7	K56 I57 F72 I89 L90	K56-R70 WeakPolarHBondContact O-CD 3.38Å; K56-R70 PolarHBondContact O-NH1 3.29Å; I57-R70 PolarHBondContact O-N 3.02Å; R70-F72 VanDerWaalsContact C-N 3.3Å; R70-F72 HydrophobicContact CB-CD2 4.25Å; R70-F72 HydrophobicContact CB-CE2 4.4Å; R70-F72 PolarHBondContact O-N 3.48Å; R70-I89 HydrophobicContact CB-CG2 3.79Å; R70-I89 HydrophobicContact CG-CG2 3.63Å; R70-I89 VanDerWaalsContact CG-O 3.28Å; R70-I89 WeakPolarHBondContact CG-O 3.43Å; R70-L90 PolarHBondContact NE-O 2.93Å; R70-L90 PolarHBondContact NH2-O 2.96Å
71	G	98.6	Very high	97.2	Very high	53 Å²	53	46.5 Å²	46.5	55%	0.546	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-10	-177	0	0	0	0	0	114.9	H69	H69-G71 PolarHBondContact O-N 3.43Å; H69-G71 VanDerWaalsContact O-N 3.15Å
72	F	98.7	Very high	97.3	Very high	65 Å²	65	46.3 Å²	46.3	29%	0.285	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	128.3	175.2	-57.4	-66.5	0	0	0	111.1	L68 H69 R70 L77 I89	L68-F72 CarbonylContact C-O 3.52Å; L68-F72 VanDerWaalsContact CA-O 3.29Å; L68-F72 WeakPolarHBondContact CA-O 3.29Å; H69-F72 PolarHBondContact N-O 3.45Å; H69-F72 WeakPolarHBondContact O-CB 3.3Å; H69-F72 WeakPolarHBondContact O-CD2 3.48Å; H69-F72 PolarHBondContact O-N 3.04Å; R70-F72 VanDerWaalsContact C-N 3.3Å; R70-F72 HydrophobicContact CB-CD2 4.25Å; R70-F72 HydrophobicContact CB-CE2 4.4Å; R70-F72 PolarHBondContact O-N 3.48Å; F72-L77 HydrophobicContact CB-CD1 4.02Å; F72-L77 HydrophobicContact CB-CD2 3.85Å; F72-L77 HydrophobicContact CB-CG 3.95Å; F72-L77 HydrophobicContact CG-CD2 4.41Å; F72-I89 HydrophobicContact CD2-CD1 4.45Å; F72-I89 HydrophobicContact CD2-CG2 3.9Å; F72-I89 HydrophobicContact CE2-CG2 4.16Å
73	P	98.6	Very high	97.6	Very high	34 Å²	34	45.7 Å²	45.7	22%	0.221	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	139.5	176.6	-26.1	37.3	0	0	0	113.6	L68 D75 Q76 L77	L68-P73 HydrophobicContact CD2-CB 4.16Å; L68-P73 HydrophobicContact CD2-CG 3.96Å; P73-D75 VanDerWaalsContact C-N 3.29Å; P73-D75 WeakPolarHBondContact CB-OD1 3.5Å; P73-D75 PolarHBondContact O-N 2.91Å; P73-Q76 HydrophobicContact CB-CG 4.3Å; P73-Q76 PolarHBondContact O-N 3.1Å; P73-L77 PolarHBondContact O-N 3.02Å; P73-L77 VanDerWaalsContact O-N 3.09Å
74	I	98.4	Very high	98	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-33.1	-176.2	-172.1	57.5	0	0	0	113.8	L67 L77 A78 I225 L226 P314 R315	L67-I74 HydrophobicContact CB-CB 4.2Å; L67-I74 HydrophobicContact CB-CG2 3.83Å; L67-I74 HydrophobicContact CD2-CB 3.92Å; L67-I74 HydrophobicContact CD2-CD1 4.45Å; L67-I74 HydrophobicContact CD2-CG1 3.86Å; L67-I74 HydrophobicContact CD2-CG2 4.04Å; L67-I74 HydrophobicContact CG-CB 3.97Å; L67-I74 HydrophobicContact CG-CG1 4.42Å; L67-I74 HydrophobicContact CG-CG2 4.12Å; L67-I74 PolarHBondContact O-N 3.32Å; I74-L77 PolarHBondContact O-N 3.25Å; I74-A78 VanDerWaalsContact O-CB 3.28Å; I74-A78 WeakPolarHBondContact O-CB 3.48Å; I74-A78 PolarHBondContact O-N 3.23Å; I74-I225 HydrophobicContact CD1-CG2 4.2Å; I74-L226 HydrophobicContact CD1-CD2 4.1Å; I74-L226 HydrophobicContact CG1-CD2 3.7Å; I74-P314 HydrophobicContact CG2-CB 4.01Å; I74-P314 HydrophobicContact CG2-CG 4.46Å; I74-R315 HydrophobicContact CG1-CG 4.2Å
75	D	96.7	Very high	98.2	Very high	78 Å²	78	39.1 Å²	39.1	42%	0.417	22%	0.216	S	C	.	.	H	α-helix	trans	-64.7	-40.9	177.5	60.1	-47.8	0	0	0	111.6	P73 T79 V318	P73-D75 VanDerWaalsContact C-N 3.29Å; P73-D75 WeakPolarHBondContact CB-OD1 3.5Å; P73-D75 PolarHBondContact O-N 2.91Å; D75-T79 WeakPolarHBondContact O-CB 3.3Å; D75-T79 PolarHBondContact O-N 3.47Å; D75-T79 PolarHBondContact O-OG1 2.84Å; D75-V318 HydrophobicContact CB-CG2 4.33Å
76	Q	98.4	Very high	98.4	Very high	98 Å²	98	39 Å²	39	46%	0.458	21%	0.214	S	C	.	.	H	α-helix	trans	-66.3	-48.1	173.6	-65.2	179.8	25.8	0	0	110.9	P73 A78 T79 D80	P73-Q76 HydrophobicContact CB-CG 4.3Å; P73-Q76 PolarHBondContact O-N 3.1Å; Q76-A78 VanDerWaalsContact C-N 3.31Å; Q76-A78 PolarHBondContact O-N 3.38Å; Q76-T79 PolarHBondContact O-N 3.26Å; Q76-T79 VanDerWaalsContact O-N 3.15Å; Q76-D80 WeakPolarHBondContact O-CB 3.42Å; Q76-D80 PolarHBondContact O-N 3.03Å
77	L	98.7	Very high	98.5	Very high	11 Å²	11	35.9 Å²	35.9	6%	0.058	20%	0.199	C	C	.	.	H	α-helix	trans	-60.4	-40.2	179	-66.6	177.9	0	0	0	112.3	H69 F72 P73 I74 T79 S81 V86 I89 I225	H69-L77 HydrophobicContact CB-CD1 3.74Å; F72-L77 HydrophobicContact CB-CD1 4.02Å; F72-L77 HydrophobicContact CB-CD2 3.85Å; F72-L77 HydrophobicContact CB-CG 3.95Å; F72-L77 HydrophobicContact CG-CD2 4.41Å; P73-L77 PolarHBondContact O-N 3.02Å; P73-L77 VanDerWaalsContact O-N 3.09Å; I74-L77 PolarHBondContact O-N 3.25Å; L77-T79 VanDerWaalsContact C-N 3.29Å; L77-T79 PolarHBondContact O-N 3.2Å; L77-S81 VanDerWaalsContact O-CB 3.25Å; L77-S81 WeakPolarHBondContact O-CB 3.49Å; L77-S81 PolarHBondContact O-N 3.04Å; L77-V86 HydrophobicContact CB-CG2 4.14Å; L77-V86 HydrophobicContact CD2-CG2 4.35Å; L77-I89 HydrophobicContact CD2-CD1 3.92Å; L77-I225 HydrophobicContact CB-CG2 4.37Å
78	A	98.2	Very high	98.5	Very high	2 Å²	2	36.9 Å²	36.9	2%	0.017	20%	0.202	C	C	.	.	H	α-helix	trans	-74.9	-16.1	179.7	0	0	0	0	0	114	I74 Q76 R222 I225 L226 V318	I74-A78 VanDerWaalsContact O-CB 3.28Å; I74-A78 WeakPolarHBondContact O-CB 3.48Å; I74-A78 PolarHBondContact O-N 3.23Å; Q76-A78 VanDerWaalsContact C-N 3.31Å; Q76-A78 PolarHBondContact O-N 3.38Å; A78-R222 WeakPolarHBondContact O-CG 3.27Å; A78-R222 PolarHBondContact O-NE 3.34Å; A78-I225 HydrophobicContact CB-CG2 4.07Å; A78-L226 HydrophobicContact CB-CD1 4.41Å; A78-L226 HydrophobicContact CB-CD2 3.67Å; A78-L226 HydrophobicContact CB-CG 4.01Å; A78-V318 HydrophobicContact CB-CB 4.2Å; A78-V318 HydrophobicContact CB-CG1 3.84Å; A78-V318 HydrophobicContact CB-CG2 4.2Å
79	T	97.7	Very high	98.5	Very high	69 Å²	69	35.8 Å²	35.8	42%	0.423	20%	0.196	S	C	.	.	H	α-helix	trans	-102.5	-43.7	-178.6	-53.9	0	0	0	0	112.3	D75 Q76 L77	D75-T79 WeakPolarHBondContact O-CB 3.3Å; D75-T79 PolarHBondContact O-N 3.47Å; D75-T79 PolarHBondContact O-OG1 2.84Å; Q76-T79 PolarHBondContact O-N 3.26Å; Q76-T79 VanDerWaalsContact O-N 3.15Å; L77-T79 VanDerWaalsContact C-N 3.29Å; L77-T79 PolarHBondContact O-N 3.2Å
80	D	98.4	Very high	98.5	Very high	127 Å²	127	35.7 Å²	35.7	68%	0.679	20%	0.196	S	C	*	.	H	α-helix	trans	-106.9	-10.2	-166.6	-58.5	-38.6	0	0	0	113.8	Q76	Q76-D80 WeakPolarHBondContact O-CB 3.42Å; Q76-D80 PolarHBondContact O-N 3.03Å
81	S	98.5	Very high	98.5	Very high	22 Å²	22	35.1 Å²	35.1	15%	0.154	20%	0.197	C	C	.	.	S	Bend	trans	-115.4	-172.2	-179.7	-166.2	0	0	0	0	111.5	L77 E85	L77-S81 VanDerWaalsContact O-CB 3.25Å; L77-S81 WeakPolarHBondContact O-CB 3.49Å; L77-S81 PolarHBondContact O-N 3.04Å; S81-E85 WeakPolarHBondContact CB-OE2 3.44Å; S81-E85 WeakPolarHBondContact OG-CB 3.32Å; S81-E85 VanDerWaalsContact OG-CG 3.31Å; S81-E85 WeakPolarHBondContact OG-CG 3.37Å; S81-E85 PolarHBondContact OG-OE2 3.24Å
82	N	98.7	Very high	98.5	Very high	46 Å²	46	36.9 Å²	36.9	25%	0.246	19%	0.194	C	C	.	.			trans	-134.5	163.9	172.8	65.1	79	0	0	0	110.1	L84 E85 V86 Y101 D221	N82-L84 VanDerWaalsContact C-N 3.31Å; N82-L84 PolarHBondContact O-N 3.42Å; N82-L84 PolarHBondContact OD1-N 3.36Å; N82-L84 VanDerWaalsContact OD1-N 3.13Å; N82-E85 PolarHBondContact O-N 3.45Å; N82-E85 VanDerWaalsContact O-N 3.14Å; N82-E85 PolarHBondContact OD1-N 2.94Å; N82-E85 VanDerWaalsContact OD1-N 3.08Å; N82-V86 PolarHBondContact O-N 2.89Å; N82-Y101 PolarHBondContact ND2-OH 3.36Å; N82-Y101 PolarHBondContact OD1-OH 3.27Å; N82-D221 WeakPolarHBondContact CA-OD2 3.35Å
83	Y	98.9	Very high	98.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.3	-37.6	-174.2	-177	-113.9	0	0	0	114.4	V86 C87 L166 Y194 D221 L224 I225 A228 A387 V390	Y83-V86 PolarHBondContact O-N 2.95Å; Y83-C87 VanDerWaalsContact CE1-SG 3.54Å; Y83-C87 VanDerWaalsContact CZ-SG 3.54Å; Y83-C87 WeakPolarHBondContact O-CB 3.45Å; Y83-C87 PolarHBondContact O-N 3.21Å; Y83-C87 PolarHBondContact O-SG 2.83Å; Y83-L166 HydrophobicContact CE1-CD1 4.44Å; Y83-Y194 AromaticContact CD1-CD1 3.6Å; Y83-Y194 HydrophobicContact CD1-CD1 3.6Å; Y83-Y194 AromaticContact CD1-CE1 3.63Å; Y83-Y194 HydrophobicContact CD1-CE1 3.63Å; Y83-Y194 HydrophobicContact CD1-CG 4.16Å; Y83-Y194 AromaticContact CE1-CD1 3.97Å; Y83-Y194 HydrophobicContact CE1-CD1 3.97Å; Y83-Y194 AromaticContact CE1-CE1 3.47Å; Y83-Y194 HydrophobicContact CE1-CE1 3.47Å; Y83-Y194 VanDerWaalsContact CE1-CE1 3.47Å; Y83-Y194 AromaticContact CE1-CZ 3.76Å; Y83-D221 VanDerWaalsContact CB-OD1 3.26Å; Y83-D221 WeakPolarHBondContact CB-OD1 3.38Å; Y83-D221 PolarHBondContact N-OD1 3.23Å; Y83-D221 PolarHBondContact N-OD2 3.28Å; Y83-L224 HydrophobicContact CD1-CB 4.06Å; Y83-L224 HydrophobicContact CD1-CD1 3.87Å; Y83-L224 VanDerWaalsContact CD2-C 3.44Å; Y83-L224 HydrophobicContact CD2-CB 3.32Å; Y83-L224 HydrophobicContact CE1-CB 4.34Å; Y83-L224 HydrophobicContact CE1-CD1 4.28Å; Y83-L224 HydrophobicContact CE2-CB 3.65Å; Y83-L224 WeakPolarHBondContact CE2-O 3.48Å; Y83-L224 HydrophobicContact CG-CB 3.53Å; Y83-L224 HydrophobicContact CG-CD1 4.05Å; Y83-L224 HydrophobicContact CG-CG 4.44Å; Y83-I225 HydrophobicContact CD2-CG1 4.33Å; Y83-A228 HydrophobicContact CE2-CB 4.06Å; Y83-A387 WeakPolarHBondContact OH-CA 3.48Å; Y83-A387 PolarHBondContact OH-O 2.88Å; Y83-V390 HydrophobicContact CE2-CG1 4.33Å
84	L	98.8	Very high	98.5	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-71.5	-35.1	179.7	-74.7	-176.2	0	0	0	112.9	N82 C87 Y88 Y101 F104 K105 V108 Y194	N82-L84 VanDerWaalsContact C-N 3.31Å; N82-L84 PolarHBondContact O-N 3.42Å; N82-L84 PolarHBondContact OD1-N 3.36Å; N82-L84 VanDerWaalsContact OD1-N 3.13Å; L84-C87 WeakPolarHBondContact O-CB 3.28Å; L84-C87 PolarHBondContact O-N 3.27Å; L84-Y88 PolarHBondContact O-N 2.84Å; L84-Y101 HydrophobicContact CB-CE2 4.08Å; L84-F104 HydrophobicContact CD2-CE1 4.26Å; L84-F104 WeakPolarHBondContact O-CE1 3.42Å; L84-K105 HydrophobicContact CD1-CB 4.31Å; L84-K105 HydrophobicContact CD1-CG 4Å; L84-V108 HydrophobicContact CD2-CG1 4.16Å; L84-V108 HydrophobicContact CD2-CG2 4.46Å; L84-Y194 HydrophobicContact CD2-CD2 3.69Å; L84-Y194 HydrophobicContact CD2-CE2 4.22Å; L84-Y194 HydrophobicContact CD2-CG 4.24Å; L84-Y194 HydrophobicContact CG-CD2 4.27Å; L84-Y194 HydrophobicContact CG-CG 4.43Å
85	E	98.9	Very high	98.5	Very high	48 Å²	48	45.6 Å²	45.6	22%	0.224	24%	0.235	C	C	.	.	H	α-helix	trans	-67.3	-42.6	173.3	179.9	176.7	-149.9	0	0	110.8	S81 N82 C87 Y88 I89 P96 Y101	S81-E85 WeakPolarHBondContact CB-OE2 3.44Å; S81-E85 WeakPolarHBondContact OG-CB 3.32Å; S81-E85 VanDerWaalsContact OG-CG 3.31Å; S81-E85 WeakPolarHBondContact OG-CG 3.37Å; S81-E85 PolarHBondContact OG-OE2 3.24Å; N82-E85 PolarHBondContact O-N 3.45Å; N82-E85 VanDerWaalsContact O-N 3.14Å; N82-E85 PolarHBondContact OD1-N 2.94Å; N82-E85 VanDerWaalsContact OD1-N 3.08Å; E85-C87 VanDerWaalsContact C-N 3.3Å; E85-C87 PolarHBondContact O-N 3.44Å; E85-Y88 WeakPolarHBondContact O-CB 3.33Å; E85-Y88 PolarHBondContact O-N 2.74Å; E85-Y88 VanDerWaalsContact O-N 3.11Å; E85-I89 HydrophobicContact CG-CD1 4.18Å; E85-I89 WeakPolarHBondContact O-CG1 3.34Å; E85-I89 PolarHBondContact O-N 2.97Å; E85-P96 HydrophobicContact CG-CG 3.98Å; E85-Y101 HydrophobicContact CB-CD2 4.28Å; E85-Y101 HydrophobicContact CB-CE2 3.99Å
86	V	98.9	Very high	98.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-39.4	172.7	175.6	0	0	0	0	111.5	L77 N82 Y83 Y88 I89 L90 I225 A228	L77-V86 HydrophobicContact CB-CG2 4.14Å; L77-V86 HydrophobicContact CD2-CG2 4.35Å; N82-V86 PolarHBondContact O-N 2.89Å; Y83-V86 PolarHBondContact O-N 2.95Å; V86-Y88 VanDerWaalsContact C-N 3.33Å; V86-Y88 PolarHBondContact O-N 3.48Å; V86-I89 PolarHBondContact O-N 3.46Å; V86-L90 HydrophobicContact CG1-CD1 4.12Å; V86-L90 HydrophobicContact CG1-CG 4.43Å; V86-L90 WeakPolarHBondContact O-CG 3.31Å; V86-L90 PolarHBondContact O-N 3.38Å; V86-I225 HydrophobicContact CG2-CD1 4.47Å; V86-I225 HydrophobicContact CG2-CG1 4.09Å; V86-I225 HydrophobicContact CG2-CG2 4.06Å; V86-A228 HydrophobicContact CG1-CB 4.19Å
87	C	98.9	Very high	98.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59	-44.8	172.9	-71.9	0	0	0	0	111.8	Y83 L84 E85 L90 L91 F104 L166 V390	Y83-C87 VanDerWaalsContact CE1-SG 3.54Å; Y83-C87 VanDerWaalsContact CZ-SG 3.54Å; Y83-C87 WeakPolarHBondContact O-CB 3.45Å; Y83-C87 PolarHBondContact O-N 3.21Å; Y83-C87 PolarHBondContact O-SG 2.83Å; L84-C87 WeakPolarHBondContact O-CB 3.28Å; L84-C87 PolarHBondContact O-N 3.27Å; E85-C87 VanDerWaalsContact C-N 3.3Å; E85-C87 PolarHBondContact O-N 3.44Å; C87-L90 PolarHBondContact O-N 3.01Å; C87-L91 WeakPolarHBondContact O-CB 3.39Å; C87-L91 VanDerWaalsContact O-CG 3.28Å; C87-L91 WeakPolarHBondContact O-CG 3.27Å; C87-L91 PolarHBondContact O-N 3.13Å; C87-L91 VanDerWaalsContact O-N 3.11Å; C87-F104 HydrophobicContact CB-CE1 4.04Å; C87-F104 HydrophobicContact CB-CZ 3.99Å; C87-L166 HydrophobicContact CB-CD1 4.49Å; C87-L166 HydrophobicContact CB-CD2 4.16Å; C87-V390 HydrophobicContact CB-CG2 3.82Å
88	Y	98.9	Very high	98.6	Very high	24 Å²	24	47.4 Å²	47.4	9%	0.094	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-47.5	175.9	-175	-77.8	0	0	0	111	L84 E85 V86 L90 L91 N92 E94 P96 Q100 F104	L84-Y88 PolarHBondContact O-N 2.84Å; E85-Y88 WeakPolarHBondContact O-CB 3.33Å; E85-Y88 PolarHBondContact O-N 2.74Å; E85-Y88 VanDerWaalsContact O-N 3.11Å; V86-Y88 VanDerWaalsContact C-N 3.33Å; V86-Y88 PolarHBondContact O-N 3.48Å; Y88-L90 PolarHBondContact O-N 2.88Å; Y88-L91 PolarHBondContact O-N 3.45Å; Y88-N92 HydrophobicContact CD1-CB 4.08Å; Y88-N92 VanDerWaalsContact CD2-ND2 3.35Å; Y88-N92 WeakPolarHBondContact CD2-ND2 3.47Å; Y88-N92 HydrophobicContact CE1-CB 3.71Å; Y88-N92 WeakPolarHBondContact CE2-ND2 3.48Å; Y88-N92 WeakPolarHBondContact O-CB 3.4Å; Y88-N92 PolarHBondContact O-N 3.11Å; Y88-N92 PolarHBondContact O-ND2 3.38Å; Y88-E94 WeakPolarHBondContact CD1-O 3.4Å; Y88-E94 WeakPolarHBondContact CE1-O 3.39Å; Y88-P96 HydrophobicContact CD1-CB 3.63Å; Y88-P96 HydrophobicContact CD1-CG 3.94Å; Y88-P96 HydrophobicContact CD2-CB 4.06Å; Y88-P96 HydrophobicContact CE1-CB 3.65Å; Y88-P96 HydrophobicContact CE1-CG 4.43Å; Y88-P96 HydrophobicContact CE2-CB 4.07Å; Y88-P96 HydrophobicContact CG-CB 3.85Å; Y88-P96 HydrophobicContact CG-CG 4.08Å; Y88-Q100 HydrophobicContact CE2-CB 4.03Å; Y88-Q100 VanDerWaalsContact OH-CD 3.24Å; Y88-Q100 PolarHBondContact OH-NE2 2.97Å; Y88-Q100 PolarHBondContact OH-OE1 2.87Å; Y88-F104 HydrophobicContact CD2-CB 3.91Å; Y88-F104 HydrophobicContact CD2-CD1 4.47Å; Y88-F104 AromaticContact CD2-CD2 3.85Å; Y88-F104 HydrophobicContact CD2-CD2 3.85Å; Y88-F104 HydrophobicContact CD2-CE2 4.48Å; Y88-F104 AromaticContact CD2-CG 3.84Å; Y88-F104 HydrophobicContact CD2-CG 3.84Å; Y88-F104 HydrophobicContact CE2-CB 4.45Å
89	I	98.9	Very high	98.6	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-57.1	-50.4	178.8	-70.7	165.2	0	0	0	110.6	R70 F72 L77 E85 V86 L91 G93 E94 K95	R70-I89 HydrophobicContact CB-CG2 3.79Å; R70-I89 HydrophobicContact CG-CG2 3.63Å; R70-I89 VanDerWaalsContact CG-O 3.28Å; R70-I89 WeakPolarHBondContact CG-O 3.43Å; F72-I89 HydrophobicContact CD2-CD1 4.45Å; F72-I89 HydrophobicContact CD2-CG2 3.9Å; F72-I89 HydrophobicContact CE2-CG2 4.16Å; L77-I89 HydrophobicContact CD2-CD1 3.92Å; E85-I89 HydrophobicContact CG-CD1 4.18Å; E85-I89 WeakPolarHBondContact O-CG1 3.34Å; E85-I89 PolarHBondContact O-N 2.97Å; V86-I89 PolarHBondContact O-N 3.46Å; I89-L91 VanDerWaalsContact C-N 3.33Å; I89-L91 PolarHBondContact O-N 3.38Å; I89-G93 WeakPolarHBondContact O-CA 3.38Å; I89-G93 PolarHBondContact O-N 2.86Å; I89-E94 WeakPolarHBondContact CA-O 3.36Å; I89-K95 HydrophobicContact CD1-CB 4.44Å; I89-K95 HydrophobicContact CG1-CB 4.36Å
90	L	98.9	Very high	98.7	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-41.6	-179.2	-73.4	171.3	0	0	0	112.2	I57 H69 R70 V86 C87 Y88 A228 D229 V390 A394	I57-L90 HydrophobicContact CG2-CD2 3.8Å; H69-L90 HydrophobicContact CB-CD2 3.86Å; R70-L90 PolarHBondContact NE-O 2.93Å; R70-L90 PolarHBondContact NH2-O 2.96Å; V86-L90 HydrophobicContact CG1-CD1 4.12Å; V86-L90 HydrophobicContact CG1-CG 4.43Å; V86-L90 WeakPolarHBondContact O-CG 3.31Å; V86-L90 PolarHBondContact O-N 3.38Å; C87-L90 PolarHBondContact O-N 3.01Å; Y88-L90 PolarHBondContact O-N 2.88Å; L90-A228 HydrophobicContact CD1-CB 3.79Å; L90-D229 HydrophobicContact CD1-CB 4.2Å; L90-D229 HydrophobicContact CD2-CB 4.16Å; L90-V390 HydrophobicContact CB-CG2 4.45Å; L90-V390 HydrophobicContact CD1-CG1 3.77Å; L90-V390 HydrophobicContact CD1-CG2 4.5Å; L90-A394 HydrophobicContact CB-CB 4.43Å
91	L	98.7	Very high	98.7	Very high	47 Å²	47	50.9 Å²	50.9	25%	0.246	25%	0.253	C	S	.	.	H	α-helix	trans	-78.3	-36.2	-177	-65.8	173.7	0	0	0	113.4	C87 Y88 I89 F104 V390 I393 A394	C87-L91 WeakPolarHBondContact O-CB 3.39Å; C87-L91 VanDerWaalsContact O-CG 3.28Å; C87-L91 WeakPolarHBondContact O-CG 3.27Å; C87-L91 PolarHBondContact O-N 3.13Å; C87-L91 VanDerWaalsContact O-N 3.11Å; Y88-L91 PolarHBondContact O-N 3.45Å; I89-L91 VanDerWaalsContact C-N 3.33Å; I89-L91 PolarHBondContact O-N 3.38Å; L91-F104 HydrophobicContact CD1-CE2 4.15Å; L91-F104 HydrophobicContact CD1-CZ 4.18Å; L91-V390 HydrophobicContact CD1-CG2 4.08Å; L91-V390 HydrophobicContact CD2-CG2 4.22Å; L91-V390 HydrophobicContact CG-CG2 3.92Å; L91-I393 HydrophobicContact CD2-CB 4.18Å; L91-I393 HydrophobicContact CD2-CG2 3.65Å; L91-A394 HydrophobicContact CD2-CB 4.1Å
92	N	98.3	Very high	98.7	Very high	90 Å²	90	53.3 Å²	53.3	48%	0.481	26%	0.264	S	S	.	.	H	α-helix	trans	-106.4	-16.2	-170.4	-60.9	-73.6	0	0	0	114.3	Y88	Y88-N92 HydrophobicContact CD1-CB 4.08Å; Y88-N92 VanDerWaalsContact CD2-ND2 3.35Å; Y88-N92 WeakPolarHBondContact CD2-ND2 3.47Å; Y88-N92 HydrophobicContact CE1-CB 3.71Å; Y88-N92 WeakPolarHBondContact CE2-ND2 3.48Å; Y88-N92 WeakPolarHBondContact O-CB 3.4Å; Y88-N92 PolarHBondContact O-N 3.11Å; Y88-N92 PolarHBondContact O-ND2 3.38Å
93	G	98.5	Very high	98.7	Very high	17 Å²	17	57.4 Å²	57.4	18%	0.175	28%	0.282	C	S	.	.	S	Bend	trans	92.8	-16.5	178.3	0	0	0	0	0	115.4	I89	I89-G93 WeakPolarHBondContact O-CA 3.38Å; I89-G93 PolarHBondContact O-N 2.86Å
94	E	98.5	Very high	98.7	Very high	128 Å²	128	57.9 Å²	57.9	60%	0.598	28%	0.284	S	S	*	.	S	Bend	trans	-134.7	161.7	-173.4	-66.2	-64	160.2	0	0	110.9	Y88 I89	Y88-E94 WeakPolarHBondContact CD1-O 3.4Å; Y88-E94 WeakPolarHBondContact CE1-O 3.39Å; I89-E94 WeakPolarHBondContact CA-O 3.36Å
95	K	98.6	Very high	98.7	Very high	139 Å²	139	61.4 Å²	61.4	60%	0.604	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-70.3	143.5	169.5	69.4	179.5	-177	176.7	0	111	I89	I89-K95 HydrophobicContact CD1-CB 4.44Å; I89-K95 HydrophobicContact CG1-CB 4.36Å
96	P	98.6	Very high	98.7	Very high	17 Å²	17	63 Å²	63	11%	0.11	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-74.8	152.7	-179.3	30.9	-33.4	0	0	0	111.8	E85 Y88 Q100 Y101	E85-P96 HydrophobicContact CG-CG 3.98Å; Y88-P96 HydrophobicContact CD1-CB 3.63Å; Y88-P96 HydrophobicContact CD1-CG 3.94Å; Y88-P96 HydrophobicContact CD2-CB 4.06Å; Y88-P96 HydrophobicContact CE1-CB 3.65Å; Y88-P96 HydrophobicContact CE1-CG 4.43Å; Y88-P96 HydrophobicContact CE2-CB 4.07Å; Y88-P96 HydrophobicContact CG-CB 3.85Å; Y88-P96 HydrophobicContact CG-CG 4.08Å; P96-Q100 HydrophobicContact CB-CB 4Å; P96-Y101 HydrophobicContact CG-CD2 4.14Å
97	T	98.8	Very high	98.7	Very high	78 Å²	78	64.9 Å²	64.9	48%	0.479	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-72	165.9	154.6	69	0	0	0	0	110.2	E99 Q100 Y101	T97-E99 VanDerWaalsContact C-N 3.27Å; T97-E99 PolarHBondContact O-N 2.83Å; T97-Q100 PolarHBondContact O-N 3.46Å; T97-Q100 WeakPolarHBondContact OG1-CG 3.25Å; T97-Q100 PolarHBondContact OG1-N 3.25Å; T97-Q100 PolarHBondContact OG1-OE1 3.47Å; T97-Y101 WeakPolarHBondContact O-CB 3.44Å; T97-Y101 PolarHBondContact O-N 3.08Å
98	Q	98.7	Very high	98.7	Very high	130 Å²	130	65 Å²	65	61%	0.607	33%	0.325	S	S	*	.	H	α-helix	trans	-55	-43.2	176.3	-175	60	55.3	0	0	112.2	Y101 D102	Q98-Y101 PolarHBondContact O-N 2.62Å; Q98-D102 VanDerWaalsContact NE2-CG 3.3Å; Q98-D102 PolarHBondContact NE2-OD1 3.09Å; Q98-D102 VanDerWaalsContact NE2-OD1 3.1Å; Q98-D102 PolarHBondContact NE2-OD2 3.34Å; Q98-D102 WeakPolarHBondContact O-CB 3.41Å; Q98-D102 VanDerWaalsContact O-CG 3.27Å; Q98-D102 PolarHBondContact O-N 3.43Å
99	E	98.7	Very high	98.7	Very high	156 Å²	156	65.3 Å²	65.3	73%	0.729	33%	0.329	S	S	*	.	H	α-helix	trans	-63.2	-47.1	178	-177.5	178.2	-169.1	0	0	112.1	T97 Y101 D102 E103	T97-E99 VanDerWaalsContact C-N 3.27Å; T97-E99 PolarHBondContact O-N 2.83Å; E99-Y101 VanDerWaalsContact C-N 3.3Å; E99-Y101 PolarHBondContact O-N 2.69Å; E99-D102 PolarHBondContact O-N 2.83Å; E99-E103 PolarHBondContact O-N 2.92Å
100	Q	98.7	Very high	98.7	Very high	75 Å²	75	73.4 Å²	73.4	35%	0.35	36%	0.359	S	S	.	.	H	α-helix	trans	-62.8	-38.8	177.4	-71.5	172.6	-37	0	0	111.8	Y88 P96 T97 F104	Y88-Q100 HydrophobicContact CE2-CB 4.03Å; Y88-Q100 VanDerWaalsContact OH-CD 3.24Å; Y88-Q100 PolarHBondContact OH-NE2 2.97Å; Y88-Q100 PolarHBondContact OH-OE1 2.87Å; P96-Q100 HydrophobicContact CB-CB 4Å; T97-Q100 PolarHBondContact O-N 3.46Å; T97-Q100 WeakPolarHBondContact OG1-CG 3.25Å; T97-Q100 PolarHBondContact OG1-N 3.25Å; T97-Q100 PolarHBondContact OG1-OE1 3.47Å; Q100-F104 VanDerWaalsContact O-CB 3.26Å; Q100-F104 WeakPolarHBondContact O-CB 3.34Å; Q100-F104 PolarHBondContact O-N 3.48Å
101	Y	98.8	Very high	98.7	Very high	39 Å²	39	77.1 Å²	77.1	15%	0.153	38%	0.376	C	S	.	.	H	α-helix	trans	-65.4	-45	176.4	179.2	-101.4	0	0	0	111.5	N82 L84 E85 P96 T97 Q98 E99 F104 K105	N82-Y101 PolarHBondContact ND2-OH 3.36Å; N82-Y101 PolarHBondContact OD1-OH 3.27Å; L84-Y101 HydrophobicContact CB-CE2 4.08Å; E85-Y101 HydrophobicContact CB-CD2 4.28Å; E85-Y101 HydrophobicContact CB-CE2 3.99Å; P96-Y101 HydrophobicContact CG-CD2 4.14Å; T97-Y101 WeakPolarHBondContact O-CB 3.44Å; T97-Y101 PolarHBondContact O-N 3.08Å; Q98-Y101 PolarHBondContact O-N 2.62Å; E99-Y101 VanDerWaalsContact C-N 3.3Å; E99-Y101 PolarHBondContact O-N 2.69Å; Y101-F104 PolarHBondContact O-N 3.3Å; Y101-K105 HydrophobicContact CE1-CD 4.12Å; Y101-K105 VanDerWaalsContact O-CB 3.26Å; Y101-K105 WeakPolarHBondContact O-CB 3.39Å; Y101-K105 PolarHBondContact O-N 2.78Å
102	D	98.7	Very high	98.7	Very high	73 Å²	73	75.5 Å²	75.5	39%	0.39	37%	0.369	S	S	.	.	H	α-helix	trans	-65.8	-39.1	179.3	-71.1	-31.6	0	0	0	112	Q98 E99 T106	Q98-D102 VanDerWaalsContact NE2-CG 3.3Å; Q98-D102 PolarHBondContact NE2-OD1 3.09Å; Q98-D102 VanDerWaalsContact NE2-OD1 3.1Å; Q98-D102 PolarHBondContact NE2-OD2 3.34Å; Q98-D102 WeakPolarHBondContact O-CB 3.41Å; Q98-D102 VanDerWaalsContact O-CG 3.27Å; Q98-D102 PolarHBondContact O-N 3.43Å; E99-D102 PolarHBondContact O-N 2.83Å; D102-T106 WeakPolarHBondContact O-CB 3.36Å; D102-T106 PolarHBondContact O-N 3.28Å; D102-T106 PolarHBondContact O-OG1 3.37Å
103	E	98.8	Very high	98.7	Very high	132 Å²	132	76.8 Å²	76.8	62%	0.617	37%	0.373	S	S	*	.	H	α-helix	trans	-62.5	-47.4	172.4	-175.8	-179.8	-173.8	0	0	111.5	E99 T106 T107	E99-E103 PolarHBondContact O-N 2.92Å; E103-T106 PolarHBondContact O-N 2.94Å; E103-T107 WeakPolarHBondContact O-CB 3.14Å; E103-T107 PolarHBondContact O-N 3.21Å; E103-T107 PolarHBondContact O-OG1 3.47Å
104	F	98.8	Very high	98.7	Very high	10 Å²	10	76.5 Å²	76.5	4%	0.044	37%	0.367	C	S	.	.	H	α-helix	trans	-61.5	-51	178.6	-176.2	-97.9	0	0	0	111.6	L84 C87 Y88 L91 Q100 Y101 T106 T107 V108 F163 L166	L84-F104 HydrophobicContact CD2-CE1 4.26Å; L84-F104 WeakPolarHBondContact O-CE1 3.42Å; C87-F104 HydrophobicContact CB-CE1 4.04Å; C87-F104 HydrophobicContact CB-CZ 3.99Å; Y88-F104 HydrophobicContact CD2-CB 3.91Å; Y88-F104 HydrophobicContact CD2-CD1 4.47Å; Y88-F104 AromaticContact CD2-CD2 3.85Å; Y88-F104 HydrophobicContact CD2-CD2 3.85Å; Y88-F104 HydrophobicContact CD2-CE2 4.48Å; Y88-F104 AromaticContact CD2-CG 3.84Å; Y88-F104 HydrophobicContact CD2-CG 3.84Å; Y88-F104 HydrophobicContact CE2-CB 4.45Å; L91-F104 HydrophobicContact CD1-CE2 4.15Å; L91-F104 HydrophobicContact CD1-CZ 4.18Å; Q100-F104 VanDerWaalsContact O-CB 3.26Å; Q100-F104 WeakPolarHBondContact O-CB 3.34Å; Q100-F104 PolarHBondContact O-N 3.48Å; Y101-F104 PolarHBondContact O-N 3.3Å; F104-T106 VanDerWaalsContact C-N 3.33Å; F104-T106 PolarHBondContact O-N 2.78Å; F104-T107 PolarHBondContact O-N 2.91Å; F104-V108 HydrophobicContact CD1-CG2 4.29Å; F104-V108 HydrophobicContact CE1-CG2 4.02Å; F104-V108 HydrophobicContact CZ-CG2 4.23Å; F104-V108 WeakPolarHBondContact O-CG2 2.93Å; F104-V108 PolarHBondContact O-N 3.21Å; F104-F163 AromaticContact CD2-CE1 3.62Å; F104-F163 HydrophobicContact CD2-CE1 3.62Å; F104-F163 AromaticContact CD2-CZ 3.88Å; F104-F163 HydrophobicContact CD2-CZ 3.88Å; F104-F163 AromaticContact CE2-CE1 3.61Å; F104-F163 HydrophobicContact CE2-CE1 3.61Å; F104-F163 HydrophobicContact CE2-CZ 4.03Å; F104-F163 HydrophobicContact CG-CE1 4.47Å; F104-F163 HydrophobicContact CZ-CE1 4.45Å; F104-L166 HydrophobicContact CE1-CD2 4.04Å; F104-L166 HydrophobicContact CE2-CD2 4.39Å; F104-L166 HydrophobicContact CZ-CD2 3.48Å; F104-L166 VanDerWaalsContact CZ-CD2 3.48Å
105	K	98.7	Very high	98.7	Very high	82 Å²	82	75.2 Å²	75.2	36%	0.357	36%	0.361	S	S	.	.	H	α-helix	trans	-60	-41.8	177.9	177.4	178.5	174.5	-177.1	0	111.8	L84 Y101 T109	L84-K105 HydrophobicContact CD1-CB 4.31Å; L84-K105 HydrophobicContact CD1-CG 4Å; Y101-K105 HydrophobicContact CE1-CD 4.12Å; Y101-K105 VanDerWaalsContact O-CB 3.26Å; Y101-K105 WeakPolarHBondContact O-CB 3.39Å; Y101-K105 PolarHBondContact O-N 2.78Å; K105-T109 WeakPolarHBondContact O-CB 3.41Å; K105-T109 PolarHBondContact O-N 3.27Å; K105-T109 PolarHBondContact O-OG1 3.39Å
106	T	98.8	Very high	98.6	Very high	83 Å²	83	71.4 Å²	71.4	51%	0.509	35%	0.346	S	S	.	.	H	α-helix	trans	-61.5	-50.8	175.7	-63.6	0	0	0	0	109.8	D102 E103 F104 V108 T109 R110	D102-T106 WeakPolarHBondContact O-CB 3.36Å; D102-T106 PolarHBondContact O-N 3.28Å; D102-T106 PolarHBondContact O-OG1 3.37Å; E103-T106 PolarHBondContact O-N 2.94Å; F104-T106 VanDerWaalsContact C-N 3.33Å; F104-T106 PolarHBondContact O-N 2.78Å; T106-V108 VanDerWaalsContact C-N 3.33Å; T106-V108 PolarHBondContact O-N 3.44Å; T106-T109 PolarHBondContact O-N 2.94Å; T106-R110 HydrophobicContact CG2-CG 4.15Å; T106-R110 VanDerWaalsContact O-CG 3.24Å; T106-R110 WeakPolarHBondContact O-CG 3.38Å; T106-R110 PolarHBondContact O-N 2.72Å
107	T	98.7	Very high	98.6	Very high	39 Å²	39	75.7 Å²	75.7	24%	0.239	36%	0.364	C	S	.	.	H	α-helix	trans	-57.7	-45.3	-179.9	-58.7	0	0	0	0	111.8	E103 F104 R110 H111 F163	E103-T107 WeakPolarHBondContact O-CB 3.14Å; E103-T107 PolarHBondContact O-N 3.21Å; E103-T107 PolarHBondContact O-OG1 3.47Å; F104-T107 PolarHBondContact O-N 2.91Å; T107-R110 PolarHBondContact O-N 3.22Å; T107-H111 PolarHBondContact O-ND1 3.49Å; T107-F163 HydrophobicContact CG2-CB 4.42Å; T107-F163 HydrophobicContact CG2-CD1 3.57Å; T107-F163 HydrophobicContact CG2-CD2 3.96Å; T107-F163 HydrophobicContact CG2-CE1 3.67Å; T107-F163 HydrophobicContact CG2-CE2 4.05Å; T107-F163 HydrophobicContact CG2-CG 3.73Å; T107-F163 HydrophobicContact CG2-CZ 3.91Å
108	V	98.8	Very high	98.6	Very high	2 Å²	2	72 Å²	72	1%	0.012	34%	0.341	C	S	.	.	H	α-helix	trans	-60.7	-51.8	176.4	172.5	0	0	0	0	110.7	L84 F104 T106 R110 H111 F163 L166 S167 Y194	L84-V108 HydrophobicContact CD2-CG1 4.16Å; L84-V108 HydrophobicContact CD2-CG2 4.46Å; F104-V108 HydrophobicContact CD1-CG2 4.29Å; F104-V108 HydrophobicContact CE1-CG2 4.02Å; F104-V108 HydrophobicContact CZ-CG2 4.23Å; F104-V108 WeakPolarHBondContact O-CG2 2.93Å; F104-V108 PolarHBondContact O-N 3.21Å; T106-V108 VanDerWaalsContact C-N 3.33Å; T106-V108 PolarHBondContact O-N 3.44Å; V108-R110 VanDerWaalsContact C-N 3.3Å; V108-R110 PolarHBondContact O-N 3.06Å; V108-H111 PolarHBondContact O-N 3.07Å; V108-H111 VanDerWaalsContact O-N 3.15Å; V108-F163 HydrophobicContact CG2-CD1 3.98Å; V108-F163 HydrophobicContact CG2-CE1 4.14Å; V108-L166 HydrophobicContact CG2-CD2 3.74Å; V108-L166 HydrophobicContact CG2-CG 4.25Å; V108-S167 VanDerWaalsContact CA-OG 3.27Å; V108-S167 WeakPolarHBondContact CA-OG 2.99Å; V108-S167 WeakPolarHBondContact O-CB 3.29Å; V108-S167 PolarHBondContact O-OG 2.98Å; V108-Y194 HydrophobicContact CG1-CD2 4.36Å; V108-Y194 HydrophobicContact CG1-CE2 4.29Å
109	T	98.5	Very high	98.6	Very high	30 Å²	30	66.5 Å²	66.5	18%	0.184	32%	0.317	C	S	.	.	H	α-helix	trans	-58.4	-41	-177.3	-59.2	0	0	0	0	112	K105 T106 H111 T112 N190	K105-T109 WeakPolarHBondContact O-CB 3.41Å; K105-T109 PolarHBondContact O-N 3.27Å; K105-T109 PolarHBondContact O-OG1 3.39Å; T106-T109 PolarHBondContact O-N 2.94Å; T109-H111 PolarHBondContact O-N 3.34Å; T109-H111 VanDerWaalsContact O-N 3.16Å; T109-T112 WeakPolarHBondContact O-CG2 3.37Å; T109-T112 PolarHBondContact O-N 2.99Å; T109-T112 PolarHBondContact O-OG1 3.28Å; T109-N190 HydrophobicContact CG2-CB 3.75Å; T109-N190 WeakPolarHBondContact CG2-OD1 3.32Å
110	R	98.6	Very high	98.6	Very high	175 Å²	175	64.9 Å²	64.9	66%	0.66	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-5.2	-177.8	-62.5	-49.4	-65	-176.2	-6.2	114.9	T106 T107 V108 N190	T106-R110 HydrophobicContact CG2-CG 4.15Å; T106-R110 VanDerWaalsContact O-CG 3.24Å; T106-R110 WeakPolarHBondContact O-CG 3.38Å; T106-R110 PolarHBondContact O-N 2.72Å; T107-R110 PolarHBondContact O-N 3.22Å; V108-R110 VanDerWaalsContact C-N 3.3Å; V108-R110 PolarHBondContact O-N 3.06Å; R110-N190 PolarHBondContact NH1-ND2 3.14Å
111	H	98.6	Very high	98.6	Very high	77 Å²	77	63.9 Å²	63.9	36%	0.356	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	9.4	179.3	-66.8	89.7	0	0	0	113.9	T107 V108 T109 S167 K168	T107-H111 PolarHBondContact O-ND1 3.49Å; V108-H111 PolarHBondContact O-N 3.07Å; V108-H111 VanDerWaalsContact O-N 3.15Å; T109-H111 PolarHBondContact O-N 3.34Å; T109-H111 VanDerWaalsContact O-N 3.16Å; H111-S167 VanDerWaalsContact C-CB 3.46Å; H111-S167 WeakPolarHBondContact O-CB 3.46Å; H111-K168 WeakPolarHBondContact O-CG 3.31Å; H111-K168 PolarHBondContact O-NZ 3.39Å
112	T	98.6	Very high	98.5	Very high	14 Å²	14	62 Å²	62	9%	0.086	29%	0.293	C	S	.	.			trans	-66.7	-37.4	-175.9	51.1	0	0	0	0	113.9	T109 I114 T171 P188	T109-T112 WeakPolarHBondContact O-CG2 3.37Å; T109-T112 PolarHBondContact O-N 2.99Å; T109-T112 PolarHBondContact O-OG1 3.28Å; T112-I114 PolarHBondContact O-N 3.44Å; T112-T171 PolarHBondContact O-OG1 3.19Å; T112-P188 VanDerWaalsContact OG1-CB 3.31Å; T112-P188 WeakPolarHBondContact OG1-CB 3.35Å
113	M	98.5	Very high	98.5	Very high	116 Å²	116	63.5 Å²	63.5	57%	0.571	30%	0.298	S	S	*	.	S	Bend	trans	-67.3	131.7	179	-168.3	168.9	70.4	0	0	110.9	K168 Y187	M113-K168 PolarHBondContact O-NZ 3.49Å; M113-Y187 HydrophobicContact CG-CD1 4.22Å; M113-Y187 HydrophobicContact CG-CE1 4.33Å; M113-Y187 HydrophobicContact SD-CD1 4.12Å; M113-Y187 HydrophobicContact SD-CE1 4.13Å
114	I	98.3	Very high	98.5	Very high	11 Å²	11	61.2 Å²	61.2	6%	0.056	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-84.8	160.2	175.7	66	165.9	0	0	0	110.9	T112 E116 I118 F122 K168 T171 M172 M175	T112-I114 PolarHBondContact O-N 3.44Å; I114-E116 PolarHBondContact O-N 3.42Å; I114-I118 HydrophobicContact CD1-CB 4.17Å; I114-I118 HydrophobicContact CD1-CG2 3.99Å; I114-F122 HydrophobicContact CD1-CE2 4.19Å; I114-K168 HydrophobicContact CG2-CB 4.05Å; I114-K168 HydrophobicContact CG2-CD 4.23Å; I114-K168 HydrophobicContact CG2-CG 4.07Å; I114-T171 HydrophobicContact CG2-CG2 4.01Å; I114-M172 HydrophobicContact CG2-CG 4.17Å; I114-M175 HydrophobicContact CD1-CE 3.69Å; I114-M175 HydrophobicContact CD1-SD 3.43Å; I114-M175 WeakPolarHBondContact CD1-SD 3.49Å; I114-M175 HydrophobicContact CG1-SD 4.14Å
115	H	98.5	Very high	98.5	Very high	102 Å²	102	63.6 Å²	63.6	47%	0.472	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-66.2	133.1	175.3	-174	-87.1	0	0	0	109.9	Q117 I118 Y146	H115-Q117 VanDerWaalsContact ND1-CB 3.28Å; H115-Q117 WeakPolarHBondContact ND1-CB 3.37Å; H115-Q117 PolarHBondContact ND1-N 3.24Å; H115-Q117 VanDerWaalsContact ND1-N 3.11Å; H115-Q117 PolarHBondContact O-N 3.5Å; H115-Q117 VanDerWaalsContact O-N 3.09Å; H115-I118 HydrophobicContact CB-CD1 3.9Å; H115-I118 HydrophobicContact CB-CG1 4.16Å; H115-I118 WeakPolarHBondContact O-CA 3.2Å; H115-I118 VanDerWaalsContact O-CB 3.24Å; H115-I118 WeakPolarHBondContact O-CB 3.11Å; H115-I118 PolarHBondContact O-N 3.46Å; H115-Y146 PolarHBondContact N-OH 3.24Å; H115-Y146 VanDerWaalsContact N-OH 3.15Å
116	E	98.3	Very high	98.5	Very high	59 Å²	59	68 Å²	68	28%	0.276	33%	0.326	S	S	.	.	H	α-helix	trans	-56.6	-33.4	-173.7	-84.8	-64.3	98.9	0	0	113.5	I114 I118 T119 R120 Y187	I114-E116 PolarHBondContact O-N 3.42Å; E116-I118 VanDerWaalsContact C-N 3.26Å; E116-I118 PolarHBondContact O-N 3.41Å; E116-T119 WeakPolarHBondContact O-CB 3.31Å; E116-T119 PolarHBondContact O-N 3Å; E116-T119 VanDerWaalsContact O-N 3.11Å; E116-T119 PolarHBondContact OE1-OG1 2.93Å; E116-R120 WeakPolarHBondContact O-CD 3.5Å; E116-R120 PolarHBondContact O-NH1 3.36Å; E116-R120 IonicContact OE2-CZ 2.74Å; E116-R120 IonicContact OE2-NH1 3.93Å; E116-R120 IonicContact OE2-NH2 2.75Å; E116-R120 PolarHBondContact OE2-NH2 3.01Å; E116-Y187 PolarHBondContact OE1-OH 3.04Å
117	Q	98.3	Very high	98.5	Very high	106 Å²	106	69.6 Å²	69.6	50%	0.495	32%	0.323	S	S	.	.	H	α-helix	trans	-63.5	-28.7	174.1	-163.6	63.2	23.7	0	0	113.5	H115 R120 F145	H115-Q117 VanDerWaalsContact ND1-CB 3.28Å; H115-Q117 WeakPolarHBondContact ND1-CB 3.37Å; H115-Q117 PolarHBondContact ND1-N 3.24Å; H115-Q117 VanDerWaalsContact ND1-N 3.11Å; H115-Q117 PolarHBondContact O-N 3.5Å; H115-Q117 VanDerWaalsContact O-N 3.09Å; Q117-R120 PolarHBondContact O-N 3.05Å; Q117-F145 HydrophobicContact CB-CD1 4.32Å; Q117-F145 HydrophobicContact CB-CE1 3.75Å; Q117-F145 HydrophobicContact CG-CE1 3.65Å; Q117-F145 HydrophobicContact CG-CZ 4.41Å
118	I	98.5	Very high	98.4	Very high	1 Å²	1	72.9 Å²	72.9	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-68.8	-37.7	173.9	-58.8	169.6	0	0	0	109.7	I114 H115 E116 R120 L121 F122 I138 L142 F145 Y146	I114-I118 HydrophobicContact CD1-CB 4.17Å; I114-I118 HydrophobicContact CD1-CG2 3.99Å; H115-I118 HydrophobicContact CB-CD1 3.9Å; H115-I118 HydrophobicContact CB-CG1 4.16Å; H115-I118 WeakPolarHBondContact O-CA 3.2Å; H115-I118 VanDerWaalsContact O-CB 3.24Å; H115-I118 WeakPolarHBondContact O-CB 3.11Å; H115-I118 PolarHBondContact O-N 3.46Å; E116-I118 VanDerWaalsContact C-N 3.26Å; E116-I118 PolarHBondContact O-N 3.41Å; I118-R120 PolarHBondContact O-N 3.28Å; I118-R120 VanDerWaalsContact O-N 3.11Å; I118-L121 VanDerWaalsContact O-CB 3.25Å; I118-L121 WeakPolarHBondContact O-CB 3.4Å; I118-L121 PolarHBondContact O-N 3.35Å; I118-F122 HydrophobicContact CG2-CE2 4.49Å; I118-I138 HydrophobicContact CG2-CG2 3.94Å; I118-L142 HydrophobicContact CD1-CD2 3.86Å; I118-F145 HydrophobicContact CD1-CB 3.98Å; I118-F145 HydrophobicContact CD1-CD2 4.08Å; I118-F145 HydrophobicContact CD1-CG 3.93Å; I118-F145 HydrophobicContact CG1-CB 4.18Å; I118-F145 HydrophobicContact CG1-CD1 3.8Å; I118-F145 HydrophobicContact CG1-CD2 3.59Å; I118-F145 HydrophobicContact CG1-CE1 4.05Å; I118-F145 HydrophobicContact CG1-CE2 3.84Å; I118-F145 HydrophobicContact CG1-CG 3.57Å; I118-F145 HydrophobicContact CG1-CZ 4.06Å; I118-Y146 HydrophobicContact CD1-CD2 4.5Å; I118-Y146 HydrophobicContact CD1-CE2 3.64Å
119	T	98.5	Very high	98.4	Very high	15 Å²	15	74.1 Å²	74.1	9%	0.092	35%	0.348	C	S	.	.	H	α-helix	trans	-54.5	-31.5	173.6	-52.6	0	0	0	0	112.1	E116 L121 H123 M175 F185	E116-T119 WeakPolarHBondContact O-CB 3.31Å; E116-T119 PolarHBondContact O-N 3Å; E116-T119 VanDerWaalsContact O-N 3.11Å; E116-T119 PolarHBondContact OE1-OG1 2.93Å; T119-L121 VanDerWaalsContact C-N 3.34Å; T119-H123 PolarHBondContact O-CE1 3.44Å; T119-H123 PolarHBondContact O-ND1 3.48Å; T119-M175 HydrophobicContact CG2-CE 3.73Å; T119-F185 HydrophobicContact CG2-CD2 3.61Å; T119-F185 HydrophobicContact CG2-CE2 3.75Å
120	R	98.2	Very high	98.3	Very high	121 Å²	121	75.1 Å²	75.1	46%	0.457	35%	0.35	S	S	.	.	H	α-helix	trans	-74.1	-29.3	179.4	-76.8	64	-176.8	-143.2	36	111.2	E116 Q117 I118 F122 H123	E116-R120 WeakPolarHBondContact O-CD 3.5Å; E116-R120 PolarHBondContact O-NH1 3.36Å; E116-R120 IonicContact OE2-CZ 2.74Å; E116-R120 IonicContact OE2-NH1 3.93Å; E116-R120 IonicContact OE2-NH2 2.75Å; E116-R120 PolarHBondContact OE2-NH2 3.01Å; Q117-R120 PolarHBondContact O-N 3.05Å; I118-R120 PolarHBondContact O-N 3.28Å; I118-R120 VanDerWaalsContact O-N 3.11Å; R120-F122 VanDerWaalsContact C-N 3.34Å; R120-F122 PolarHBondContact O-N 3.35Å; R120-H123 WeakPolarHBondContact O-CB 3.38Å; R120-H123 PolarHBondContact O-N 2.99Å
121	L	98.3	Very high	98.3	Very high	54 Å²	54	67 Å²	67	28%	0.283	32%	0.321	S	S	.	.	H	α-helix	trans	-65	-36.3	177.4	-172.4	59.6	0	0	0	112.2	I118 T119 H123 A124 F125 I138 A141	I118-L121 VanDerWaalsContact O-CB 3.25Å; I118-L121 WeakPolarHBondContact O-CB 3.4Å; I118-L121 PolarHBondContact O-N 3.35Å; T119-L121 VanDerWaalsContact C-N 3.34Å; L121-H123 PolarHBondContact O-N 3.08Å; L121-A124 WeakPolarHBondContact O-CB 3.31Å; L121-A124 PolarHBondContact O-N 2.88Å; L121-A124 VanDerWaalsContact O-N 3.08Å; L121-F125 HydrophobicContact CG-CE2 4.34Å; L121-F125 WeakPolarHBondContact O-CD2 3.35Å; L121-I138 HydrophobicContact CB-CD1 3.97Å; L121-I138 HydrophobicContact CD2-CD1 3.81Å; L121-I138 HydrophobicContact CG-CD1 3.73Å; L121-A141 HydrophobicContact CD2-CB 3.51Å
122	F	98.7	Very high	98.2	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-55	-39.6	173.2	-80.5	-93.3	0	0	0	112.2	I114 I118 R120 A124 F125 V134 I138 M172 M175 Y179 F185	I114-F122 HydrophobicContact CD1-CE2 4.19Å; I118-F122 HydrophobicContact CG2-CE2 4.49Å; R120-F122 VanDerWaalsContact C-N 3.34Å; R120-F122 PolarHBondContact O-N 3.35Å; F122-A124 PolarHBondContact O-N 3.47Å; F122-F125 PolarHBondContact O-N 3.43Å; F122-V134 HydrophobicContact CD1-CG1 3.87Å; F122-V134 HydrophobicContact CE1-CG1 3.97Å; F122-I138 HydrophobicContact CD1-CD1 4.37Å; F122-I138 HydrophobicContact CD1-CG1 4.24Å; F122-I138 HydrophobicContact CD2-CD1 3.73Å; F122-I138 HydrophobicContact CD2-CG1 4.17Å; F122-I138 HydrophobicContact CE1-CD1 4.44Å; F122-I138 HydrophobicContact CE1-CG1 3.9Å; F122-I138 HydrophobicContact CE2-CB 4.42Å; F122-I138 HydrophobicContact CE2-CD1 3.83Å; F122-I138 HydrophobicContact CE2-CG1 3.84Å; F122-I138 HydrophobicContact CE2-CG2 3.79Å; F122-I138 HydrophobicContact CG-CD1 4.03Å; F122-I138 HydrophobicContact CG-CG1 4.37Å; F122-I138 HydrophobicContact CZ-CB 4.25Å; F122-I138 HydrophobicContact CZ-CD1 4.19Å; F122-I138 HydrophobicContact CZ-CG1 3.7Å; F122-I138 HydrophobicContact CZ-CG2 3.9Å; F122-M172 HydrophobicContact CZ-CB 4.35Å; F122-M175 HydrophobicContact CD1-CB 4.24Å; F122-M175 HydrophobicContact CD2-CE 3.81Å; F122-M175 HydrophobicContact CE1-CB 3.68Å; F122-M175 HydrophobicContact CE2-CB 4.26Å; F122-M175 HydrophobicContact CE2-CE 3.82Å; F122-M175 HydrophobicContact CE2-SD 4.1Å; F122-M175 HydrophobicContact CG-CE 4.39Å; F122-M175 HydrophobicContact CZ-CB 3.69Å; F122-M175 HydrophobicContact CZ-CE 4.41Å; F122-M175 HydrophobicContact CZ-SD 4.33Å; F122-Y179 HydrophobicContact CB-CD2 4.48Å; F122-Y179 WeakPolarHBondContact O-CE2 3.34Å; F122-F185 HydrophobicContact CB-CE2 4.09Å; F122-F185 HydrophobicContact CB-CZ 3.79Å; F122-F185 HydrophobicContact CD1-CZ 4.26Å; F122-F185 HydrophobicContact CG-CE2 4.4Å; F122-F185 HydrophobicContact CG-CZ 4.05Å
123	H	98.2	Very high	98.2	Very high	105 Å²	105	64.3 Å²	64.3	49%	0.486	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-11.3	-177.4	-63.4	88.2	0	0	0	113.9	T119 R120 L121 F185	T119-H123 PolarHBondContact O-CE1 3.44Å; T119-H123 PolarHBondContact O-ND1 3.48Å; R120-H123 WeakPolarHBondContact O-CB 3.38Å; R120-H123 PolarHBondContact O-N 2.99Å; L121-H123 PolarHBondContact O-N 3.08Å; H123-F185 AromaticContact CE1-CE2 3.49Å; H123-F185 VanDerWaalsContact CE1-CE2 3.49Å; H123-F185 WeakPolarHBondContact CE1-CE2 3.45Å
124	A	98.4	Very high	98.2	Very high	83 Å²	83	59 Å²	59	69%	0.686	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-14.2	176.4	0	0	0	0	0	113.5	L121 F122	L121-A124 WeakPolarHBondContact O-CB 3.31Å; L121-A124 PolarHBondContact O-N 2.88Å; L121-A124 VanDerWaalsContact O-N 3.08Å; F122-A124 PolarHBondContact O-N 3.47Å
125	F	98.6	Very high	98.2	Very high	60 Å²	60	58.4 Å²	58.4	26%	0.263	28%	0.284	S	S	.	.	S	Bend	trans	-73.8	165.6	172	-71.4	-88.7	0	0	0	110.7	L121 F122 V134 I138 Y179	L121-F125 HydrophobicContact CG-CE2 4.34Å; L121-F125 WeakPolarHBondContact O-CD2 3.35Å; F122-F125 PolarHBondContact O-N 3.43Å; F125-V134 HydrophobicContact CB-CG2 4.32Å; F125-V134 HydrophobicContact CD1-CG2 4.17Å; F125-V134 HydrophobicContact CD2-CG1 4.11Å; F125-V134 HydrophobicContact CE2-CG1 4.33Å; F125-V134 HydrophobicContact CG-CG1 4.33Å; F125-V134 HydrophobicContact CG-CG2 4.16Å; F125-I138 HydrophobicContact CE2-CD1 3.82Å; F125-I138 HydrophobicContact CE2-CG1 4.29Å; F125-Y179 HydrophobicContact CB-CE1 4.18Å; F125-Y179 PolarHBondContact O-OH 3.23Å
126	R	98.5	Very high	98.2	Very high	174 Å²	174	54.8 Å²	54.8	66%	0.657	27%	0.27	S	S	*	.			trans	-79.4	147	167.7	-61.8	167.2	54.3	138.9	-2	109.4	D128 S129	R126-D128 WeakPolarHBondContact CB-OD1 3.26Å; R126-D128 IonicContact CZ-OD1 3.67Å; R126-D128 IonicContact CZ-OD2 2.74Å; R126-D128 IonicContact NE-OD1 2.69Å; R126-D128 PolarHBondContact NE-OD1 3.33Å; R126-D128 IonicContact NE-OD2 3.62Å; R126-D128 IonicContact NH2-OD1 3.5Å; R126-D128 IonicContact NH2-OD2 2.62Å; R126-D128 PolarHBondContact NH2-OD2 3.03Å; R126-D128 PolarHBondContact O-N 3.21Å; R126-S129 PolarHBondContact N-OG 3.3Å; R126-S129 VanDerWaalsContact O-CB 3.25Å; R126-S129 WeakPolarHBondContact O-CB 3.13Å; R126-S129 PolarHBondContact O-N 2.88Å; R126-S129 PolarHBondContact O-OG 3.42Å
127	R	98.1	Very high	98.2	Very high	117 Å²	117	53.5 Å²	53.5	44%	0.442	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.4	176.5	-71.5	-70.6	-175.6	171.9	1.4	113.6	S129 Y179	R127-S129 VanDerWaalsContact C-N 3.3Å; R127-Y179 VanDerWaalsContact CD-O 3.24Å; R127-Y179 WeakPolarHBondContact CD-O 3.49Å; R127-Y179 HydrophobicContact CG-CE1 4.5Å; R127-Y179 VanDerWaalsContact NH1-CD2 3.29Å; R127-Y179 PolarHBondContact NH1-O 2.73Å
128	D	97.5	Very high	98.2	Very high	108 Å²	108	48.4 Å²	48.4	58%	0.578	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	8.6	177.4	65.6	-14.8	0	0	0	113.9	R126	R126-D128 WeakPolarHBondContact CB-OD1 3.26Å; R126-D128 IonicContact CZ-OD1 3.67Å; R126-D128 IonicContact CZ-OD2 2.74Å; R126-D128 IonicContact NE-OD1 2.69Å; R126-D128 PolarHBondContact NE-OD1 3.33Å; R126-D128 IonicContact NE-OD2 3.62Å; R126-D128 IonicContact NH2-OD1 3.5Å; R126-D128 IonicContact NH2-OD2 2.62Å; R126-D128 PolarHBondContact NH2-OD2 3.03Å; R126-D128 PolarHBondContact O-N 3.21Å
129	S	98.2	Very high	98.3	Very high	29 Å²	29	48.4 Å²	48.4	20%	0.203	25%	0.248	C	C	.	.	S	Bend	trans	-68.3	135.5	174.6	-52.8	0	0	0	0	110.2	R126 R127	R126-S129 PolarHBondContact N-OG 3.3Å; R126-S129 VanDerWaalsContact O-CB 3.25Å; R126-S129 WeakPolarHBondContact O-CB 3.13Å; R126-S129 PolarHBondContact O-N 2.88Å; R126-S129 PolarHBondContact O-OG 3.42Å; R127-S129 VanDerWaalsContact C-N 3.3Å
130	H	96.9	Very high	98.3	Very high	50 Å²	50	49.4 Å²	49.4	23%	0.231	26%	0.262	C	S	.	.			trans	-58.9	133.3	174.5	-167.4	-78.8	0	0	0	110.6	M132 A133 V134 W261 E270 S378	H130-M132 VanDerWaalsContact C-N 3.3Å; H130-M132 PolarHBondContact ND1-N 2.94Å; H130-M132 PolarHBondContact O-N 2.97Å; H130-A133 HydrophobicContact CB-CB 4.45Å; H130-A133 WeakPolarHBondContact O-CA 3.25Å; H130-A133 WeakPolarHBondContact O-CB 3.44Å; H130-A133 PolarHBondContact O-N 3.05Å; H130-V134 PolarHBondContact O-N 3.2Å; H130-W261 HydrophobicContact CB-CH2 4.39Å; H130-W261 HydrophobicContact CB-CZ2 4.05Å; H130-W261 AromaticContact CE1-NE1 3.94Å; H130-W261 AromaticContact CG-CZ2 3.82Å; H130-W261 AromaticContact ND1-CZ2 3.7Å; H130-E270 IonicContact NE2-OE2 2.63Å; H130-S378 PolarHBondContact CE1-O 3.35Å; H130-S378 VanDerWaalsContact CE1-O 3.25Å
131	P	98	Very high	98.3	Very high	6 Å²	6	45 Å²	45	4%	0.039	25%	0.251	C	S	.	.	H	α-helix	trans	-52.9	-40.8	-177.7	-30.7	36.9	0	0	0	114.5	A133 V134 M135 C176 M379 V382	P131-A133 VanDerWaalsContact C-N 3.32Å; P131-A133 PolarHBondContact O-N 3.13Å; P131-V134 PolarHBondContact O-N 3.42Å; P131-M135 WeakPolarHBondContact O-CB 3.47Å; P131-M135 PolarHBondContact O-N 3.3Å; P131-C176 HydrophobicContact CB-CB 4.19Å; P131-M379 HydrophobicContact CB-CG 4.48Å; P131-M379 HydrophobicContact CB-SD 3.52Å; P131-M379 VanDerWaalsContact CB-SD 3.52Å; P131-M379 HydrophobicContact CG-CG 4.43Å; P131-M379 HydrophobicContact CG-SD 4.02Å; P131-V382 HydrophobicContact CB-CG2 3.88Å
132	M	97.4	Very high	98.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.4	-37.6	172.8	-78.4	-64.9	-72	0	0	114	H130 M135 C136 I257 W261 T381 V382 A385	H130-M132 VanDerWaalsContact C-N 3.3Å; H130-M132 PolarHBondContact ND1-N 2.94Å; H130-M132 PolarHBondContact O-N 2.97Å; M132-M135 PolarHBondContact O-N 3.25Å; M132-C136 PolarHBondContact O-N 3.25Å; M132-C136 PolarHBondContact O-SG 3.12Å; M132-I257 HydrophobicContact CE-CG2 3.53Å; M132-I257 HydrophobicContact SD-CG2 4.35Å; M132-W261 HydrophobicContact CB-CD2 3.59Å; M132-W261 HydrophobicContact CB-CE3 4.13Å; M132-W261 HydrophobicContact CB-CG 3.81Å; M132-W261 HydrophobicContact CB-CZ2 4.12Å; M132-W261 HydrophobicContact CE-CB 3.52Å; M132-W261 HydrophobicContact CE-CG 3.82Å; M132-W261 HydrophobicContact CG-CD2 4.36Å; M132-W261 HydrophobicContact CG-CG 4.08Å; M132-T381 HydrophobicContact CE-CG2 3.79Å; M132-T381 HydrophobicContact CG-CG2 4.47Å; M132-T381 VanDerWaalsContact SD-C 3.51Å; M132-T381 HydrophobicContact SD-CG2 4.1Å; M132-V382 HydrophobicContact CB-CG2 4.41Å; M132-V382 HydrophobicContact CG-CG2 3.64Å; M132-V382 VanDerWaalsContact SD-CA 3.52Å; M132-V382 HydrophobicContact SD-CB 4.07Å; M132-V382 HydrophobicContact SD-CG2 3.5Å; M132-V382 WeakPolarHBondContact SD-CG2 3.4Å; M132-V382 PolarHBondContact SD-N 3.08Å; M132-V382 VanDerWaalsContact SD-N 3.42Å; M132-A385 HydrophobicContact CE-CB 4.5Å
133	A	98.1	Very high	98.3	Very high	34 Å²	34	43.3 Å²	43.3	28%	0.281	25%	0.245	S	C	.	.	H	α-helix	trans	-66.7	-42.7	178.1	0	0	0	0	0	111.3	H130 P131 M135 C136 G137 W261	H130-A133 HydrophobicContact CB-CB 4.45Å; H130-A133 WeakPolarHBondContact O-CA 3.25Å; H130-A133 WeakPolarHBondContact O-CB 3.44Å; H130-A133 PolarHBondContact O-N 3.05Å; P131-A133 VanDerWaalsContact C-N 3.32Å; P131-A133 PolarHBondContact O-N 3.13Å; A133-M135 VanDerWaalsContact C-N 3.34Å; A133-C136 PolarHBondContact O-N 3.38Å; A133-G137 PolarHBondContact O-N 2.92Å; A133-W261 HydrophobicContact CB-CH2 3.73Å; A133-W261 HydrophobicContact CB-CZ3 3.88Å
134	V	98.7	Very high	98.3	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-44.4	174.1	-176.4	0	0	0	0	109.7	F122 F125 H130 P131 C136 G137 I138	F122-V134 HydrophobicContact CD1-CG1 3.87Å; F122-V134 HydrophobicContact CE1-CG1 3.97Å; F125-V134 HydrophobicContact CB-CG2 4.32Å; F125-V134 HydrophobicContact CD1-CG2 4.17Å; F125-V134 HydrophobicContact CD2-CG1 4.11Å; F125-V134 HydrophobicContact CE2-CG1 4.33Å; F125-V134 HydrophobicContact CG-CG1 4.33Å; F125-V134 HydrophobicContact CG-CG2 4.16Å; H130-V134 PolarHBondContact O-N 3.2Å; P131-V134 PolarHBondContact O-N 3.42Å; V134-C136 PolarHBondContact O-N 3.48Å; V134-G137 PolarHBondContact O-N 3.45Å; V134-G137 VanDerWaalsContact O-N 3.15Å; V134-I138 HydrophobicContact CG1-CG1 4.03Å; V134-I138 VanDerWaalsContact O-CG1 3.31Å; V134-I138 WeakPolarHBondContact O-CG1 3.37Å; V134-I138 PolarHBondContact O-N 3.42Å
135	M	98.7	Very high	98.3	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.6	-44.5	178.2	-165.7	66.3	179.7	0	0	112.5	P131 M132 A133 T139 M169 M172 A173 I257 V382	P131-M135 WeakPolarHBondContact O-CB 3.47Å; P131-M135 PolarHBondContact O-N 3.3Å; M132-M135 PolarHBondContact O-N 3.25Å; A133-M135 VanDerWaalsContact C-N 3.34Å; M135-T139 VanDerWaalsContact O-CB 3.27Å; M135-T139 WeakPolarHBondContact O-CB 3.31Å; M135-T139 PolarHBondContact O-N 3.06Å; M135-T139 PolarHBondContact O-OG1 3.22Å; M135-M169 HydrophobicContact CE-CE 3.18Å; M135-M169 HydrophobicContact CE-SD 3.5Å; M135-M169 WeakPolarHBondContact CE-SD 3.37Å; M135-M172 HydrophobicContact CE-CB 3.97Å; M135-M172 HydrophobicContact CE-CE 4.21Å; M135-M172 HydrophobicContact SD-CB 3.94Å; M135-A173 HydrophobicContact CE-CB 4.29Å; M135-I257 HydrophobicContact CG-CD1 4.31Å; M135-I257 HydrophobicContact CG-CG2 4.46Å; M135-V382 HydrophobicContact CG-CG1 4.3Å; M135-V382 HydrophobicContact SD-CG1 4.39Å
136	C	98.5	Very high	98.2	Very high	26 Å²	26	39.1 Å²	39.1	18%	0.176	22%	0.224	C	C	.	.	H	α-helix	trans	-58.5	-48.9	172.7	-76.9	0	0	0	0	111.6	M132 A133 V134 G140 I257	M132-C136 PolarHBondContact O-N 3.25Å; M132-C136 PolarHBondContact O-SG 3.12Å; A133-C136 PolarHBondContact O-N 3.38Å; V134-C136 PolarHBondContact O-N 3.48Å; C136-G140 PolarHBondContact O-N 2.68Å; C136-I257 VanDerWaalsContact SG-CG2 3.54Å
137	G	98.5	Very high	98.2	Very high	31 Å²	31	37.3 Å²	37.3	32%	0.32	22%	0.222	S	C	.	.	H	α-helix	trans	-63.2	-47.7	-177.8	0	0	0	0	0	113.1	A133 V134 A141	A133-G137 PolarHBondContact O-N 2.92Å; V134-G137 PolarHBondContact O-N 3.45Å; V134-G137 VanDerWaalsContact O-N 3.15Å; G137-A141 WeakPolarHBondContact O-CB 3.18Å; G137-A141 PolarHBondContact O-N 2.72Å; G137-A141 VanDerWaalsContact O-N 3.07Å
138	I	98.8	Very high	98.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-45.4	179.1	-61.7	-64.3	0	0	0	110.8	I118 L121 F122 F125 V134 G140 A141 L142 M172	I118-I138 HydrophobicContact CG2-CG2 3.94Å; L121-I138 HydrophobicContact CB-CD1 3.97Å; L121-I138 HydrophobicContact CD2-CD1 3.81Å; L121-I138 HydrophobicContact CG-CD1 3.73Å; F122-I138 HydrophobicContact CD1-CD1 4.37Å; F122-I138 HydrophobicContact CD1-CG1 4.24Å; F122-I138 HydrophobicContact CD2-CD1 3.73Å; F122-I138 HydrophobicContact CD2-CG1 4.17Å; F122-I138 HydrophobicContact CE1-CD1 4.44Å; F122-I138 HydrophobicContact CE1-CG1 3.9Å; F122-I138 HydrophobicContact CE2-CB 4.42Å; F122-I138 HydrophobicContact CE2-CD1 3.83Å; F122-I138 HydrophobicContact CE2-CG1 3.84Å; F122-I138 HydrophobicContact CE2-CG2 3.79Å; F122-I138 HydrophobicContact CG-CD1 4.03Å; F122-I138 HydrophobicContact CG-CG1 4.37Å; F122-I138 HydrophobicContact CZ-CB 4.25Å; F122-I138 HydrophobicContact CZ-CD1 4.19Å; F122-I138 HydrophobicContact CZ-CG1 3.7Å; F122-I138 HydrophobicContact CZ-CG2 3.9Å; F125-I138 HydrophobicContact CE2-CD1 3.82Å; F125-I138 HydrophobicContact CE2-CG1 4.29Å; V134-I138 HydrophobicContact CG1-CG1 4.03Å; V134-I138 VanDerWaalsContact O-CG1 3.31Å; V134-I138 WeakPolarHBondContact O-CG1 3.37Å; V134-I138 PolarHBondContact O-N 3.42Å; I138-G140 PolarHBondContact O-N 3.25Å; I138-A141 PolarHBondContact O-N 3.4Å; I138-A141 VanDerWaalsContact O-N 3.16Å; I138-L142 WeakPolarHBondContact O-CG 3.4Å; I138-L142 PolarHBondContact O-N 2.72Å; I138-M172 HydrophobicContact CG2-CG 4.15Å; I138-M172 HydrophobicContact CG2-SD 3.63Å
139	T	98.8	Very high	98.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-42.4	-179.9	-53.1	0	0	0	0	111.5	M135 A141 L142 I253 A254 I257	M135-T139 VanDerWaalsContact O-CB 3.27Å; M135-T139 WeakPolarHBondContact O-CB 3.31Å; M135-T139 PolarHBondContact O-N 3.06Å; M135-T139 PolarHBondContact O-OG1 3.22Å; T139-A141 VanDerWaalsContact C-N 3.27Å; T139-A141 PolarHBondContact O-N 3.15Å; T139-L142 HydrophobicContact CG2-CD1 4.31Å; T139-L142 WeakPolarHBondContact O-CB 3.36Å; T139-L142 WeakPolarHBondContact O-CG 3.4Å; T139-L142 PolarHBondContact O-N 3.31Å; T139-I253 HydrophobicContact CG2-CB 4.4Å; T139-I253 HydrophobicContact CG2-CG2 4.11Å; T139-A254 HydrophobicContact CG2-CB 4.07Å; T139-I257 HydrophobicContact CG2-CD1 3.84Å; T139-I257 WeakPolarHBondContact OG1-CD1 3.39Å
140	G	98.5	Very high	98.1	Very high	37 Å²	37	31.4 Å²	31.4	38%	0.381	20%	0.197	S	C	.	.	H	α-helix	trans	-65.7	-27.9	175.9	0	0	0	0	0	113.6	C136 I138 L142	C136-G140 PolarHBondContact O-N 2.68Å; I138-G140 PolarHBondContact O-N 3.25Å; G140-L142 VanDerWaalsContact C-N 3.35Å
141	A	98.6	Very high	98.1	Very high	27 Å²	27	32.6 Å²	32.6	22%	0.223	21%	0.205	C	C	.	.	H	α-helix	trans	-78.5	-15.2	178.2	0	0	0	0	0	113.8	L121 G137 I138 T139 A143 A144 F145	L121-A141 HydrophobicContact CD2-CB 3.51Å; G137-A141 WeakPolarHBondContact O-CB 3.18Å; G137-A141 PolarHBondContact O-N 2.72Å; G137-A141 VanDerWaalsContact O-N 3.07Å; I138-A141 PolarHBondContact O-N 3.4Å; I138-A141 VanDerWaalsContact O-N 3.16Å; T139-A141 VanDerWaalsContact C-N 3.27Å; T139-A141 PolarHBondContact O-N 3.15Å; A141-A143 PolarHBondContact O-N 2.78Å; A141-A143 VanDerWaalsContact O-N 3.17Å; A141-A144 WeakPolarHBondContact O-CB 3.39Å; A141-A144 PolarHBondContact O-N 3.49Å; A141-A144 VanDerWaalsContact O-N 3.07Å; A141-F145 WeakPolarHBondContact O-CD2 3.5Å
142	L	98.7	Very high	98.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-57.5	-33.8	-175.1	-67.8	-176.8	0	0	0	113.6	I118 I138 T139 G140 A144 F145 Y146 L165 M172 F250	I118-L142 HydrophobicContact CD1-CD2 3.86Å; I138-L142 WeakPolarHBondContact O-CG 3.4Å; I138-L142 PolarHBondContact O-N 2.72Å; T139-L142 HydrophobicContact CG2-CD1 4.31Å; T139-L142 WeakPolarHBondContact O-CB 3.36Å; T139-L142 WeakPolarHBondContact O-CG 3.4Å; T139-L142 PolarHBondContact O-N 3.31Å; G140-L142 VanDerWaalsContact C-N 3.35Å; L142-A144 PolarHBondContact O-N 3.2Å; L142-F145 PolarHBondContact O-N 2.74Å; L142-Y146 HydrophobicContact CB-CD2 4.18Å; L142-Y146 HydrophobicContact CD2-CD2 4.15Å; L142-Y146 HydrophobicContact CD2-CE2 3.94Å; L142-Y146 PolarHBondContact O-N 2.86Å; L142-L165 HydrophobicContact CD1-CD2 4.47Å; L142-M172 HydrophobicContact CD1-CE 4.06Å; L142-M172 HydrophobicContact CD1-SD 4.1Å; L142-M172 HydrophobicContact CD2-SD 4Å; L142-M172 HydrophobicContact CG-SD 4.42Å; L142-F250 HydrophobicContact CB-CB 3.85Å; L142-F250 HydrophobicContact CB-CD1 3.87Å; L142-F250 HydrophobicContact CB-CD2 4.34Å; L142-F250 HydrophobicContact CB-CG 3.76Å; L142-F250 HydrophobicContact CD1-CB 4.48Å; L142-F250 HydrophobicContact CD1-CD1 3.75Å; L142-F250 HydrophobicContact CD1-CE1 4.41Å; L142-F250 HydrophobicContact CD1-CG 4.38Å; L142-F250 HydrophobicContact CG-CD1 4.49Å
143	A	98.2	Very high	98	Very high	18 Å²	18	39 Å²	39	15%	0.149	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-26.4	179.8	0	0	0	0	0	113.2	A141 F145 L150 F250	A141-A143 PolarHBondContact O-N 2.78Å; A141-A143 VanDerWaalsContact O-N 3.17Å; A143-F145 VanDerWaalsContact C-N 3.33Å; A143-L150 HydrophobicContact CB-CD1 4.4Å; A143-L150 HydrophobicContact CB-CD2 3.99Å; A143-F250 HydrophobicContact CB-CD2 4.32Å
144	A	98.4	Very high	97.9	Very high	76 Å²	76	39.9 Å²	39.9	63%	0.628	24%	0.239	S	C	*	.	H	α-helix	trans	-73.6	-24.9	176.7	0	0	0	0	0	113	A141 L142	A141-A144 WeakPolarHBondContact O-CB 3.39Å; A141-A144 PolarHBondContact O-N 3.49Å; A141-A144 VanDerWaalsContact O-N 3.07Å; L142-A144 PolarHBondContact O-N 3.2Å
145	F	98.4	Very high	97.8	Very high	65 Å²	65	43.7 Å²	43.7	29%	0.285	26%	0.264	S	S	.	.	H	α-helix	trans	-99.9	-38.3	-178.9	-61.3	-86.4	0	0	0	112.3	Q117 I118 A141 L142 A143	Q117-F145 HydrophobicContact CB-CD1 4.32Å; Q117-F145 HydrophobicContact CB-CE1 3.75Å; Q117-F145 HydrophobicContact CG-CE1 3.65Å; Q117-F145 HydrophobicContact CG-CZ 4.41Å; I118-F145 HydrophobicContact CD1-CB 3.98Å; I118-F145 HydrophobicContact CD1-CD2 4.08Å; I118-F145 HydrophobicContact CD1-CG 3.93Å; I118-F145 HydrophobicContact CG1-CB 4.18Å; I118-F145 HydrophobicContact CG1-CD1 3.8Å; I118-F145 HydrophobicContact CG1-CD2 3.59Å; I118-F145 HydrophobicContact CG1-CE1 4.05Å; I118-F145 HydrophobicContact CG1-CE2 3.84Å; I118-F145 HydrophobicContact CG1-CG 3.57Å; I118-F145 HydrophobicContact CG1-CZ 4.06Å; A141-F145 WeakPolarHBondContact O-CD2 3.5Å; L142-F145 PolarHBondContact O-N 2.74Å; A143-F145 VanDerWaalsContact C-N 3.33Å
146	Y	98	Very high	97.7	Very high	20 Å²	20	50.5 Å²	50.5	8%	0.078	29%	0.29	C	S	.	.			trans	-103.6	47	-177.8	-62.6	-54.5	0	0	0	110.8	H115 I118 L142 D148 S149 L150 K168 F250	H115-Y146 PolarHBondContact N-OH 3.24Å; H115-Y146 VanDerWaalsContact N-OH 3.15Å; I118-Y146 HydrophobicContact CD1-CD2 4.5Å; I118-Y146 HydrophobicContact CD1-CE2 3.64Å; L142-Y146 HydrophobicContact CB-CD2 4.18Å; L142-Y146 HydrophobicContact CD2-CD2 4.15Å; L142-Y146 HydrophobicContact CD2-CE2 3.94Å; L142-Y146 PolarHBondContact O-N 2.86Å; Y146-D148 VanDerWaalsContact C-OD1 3.26Å; Y146-D148 PolarHBondContact O-N 3.06Å; Y146-S149 PolarHBondContact O-N 2.64Å; Y146-L150 WeakPolarHBondContact O-CD2 3.35Å; Y146-K168 HydrophobicContact CE2-CD 3.85Å; Y146-K168 VanDerWaalsContact OH-CE 3.25Å; Y146-K168 WeakPolarHBondContact OH-CE 3.48Å; Y146-F250 HydrophobicContact CD2-CZ 4.44Å; Y146-F250 HydrophobicContact CG-CZ 4.39Å
147	H	97.4	Very high	97.7	Very high	136 Å²	136	51.5 Å²	51.5	63%	0.63	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-71.5	-9.7	-175.5	63.1	70.7	0	0	0	113.8	S149 L150	H147-S149 VanDerWaalsContact C-N 3.32Å; H147-L150 HydrophobicContact CB-CD1 4.1Å
148	D	97.8	Very high	97.7	Very high	80 Å²	80	52.1 Å²	52.1	43%	0.428	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-78.5	-8	177.5	61.7	-33	0	0	0	113.9	Y146 H157 R164	Y146-D148 VanDerWaalsContact C-OD1 3.26Å; Y146-D148 PolarHBondContact O-N 3.06Å; D148-H157 PolarHBondContact O-CE1 3.08Å; D148-H157 PolarHBondContact O-NE2 2.93Å; D148-R164 IonicContact OD1-CZ 3.82Å; D148-R164 IonicContact OD1-NH1 3.43Å; D148-R164 PolarHBondContact OD1-NH1 2.85Å; D148-R164 IonicContact OD1-NH2 2.68Å; D148-R164 PolarHBondContact OD1-NH2 3Å; D148-R164 IonicContact OD2-CZ 3.69Å; D148-R164 IonicContact OD2-NH1 3.69Å; D148-R164 PolarHBondContact OD2-NH1 2.91Å; D148-R164 IonicContact OD2-NH2 3.32Å; D148-R164 PolarHBondContact OD2-NH2 2.81Å
149	S	96.4	Very high	97.6	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.007	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-133	41.2	-179.1	70.8	0	0	0	0	113.2	Y146 H147 R164	Y146-S149 PolarHBondContact O-N 2.64Å; H147-S149 VanDerWaalsContact C-N 3.32Å; S149-R164 PolarHBondContact OG-NH1 3.45Å
150	L	98	Very high	97.6	Very high	48 Å²	48	58.2 Å²	58.2	25%	0.251	31%	0.314	S	S	.	.			trans	-100.5	-24.4	-174.8	-55.8	-176.8	0	0	0	115.1	A143 Y146 H147 V152 N248 F250	A143-L150 HydrophobicContact CB-CD1 4.4Å; A143-L150 HydrophobicContact CB-CD2 3.99Å; Y146-L150 WeakPolarHBondContact O-CD2 3.35Å; H147-L150 HydrophobicContact CB-CD1 4.1Å; L150-V152 PolarHBondContact O-N 2.83Å; L150-N248 HydrophobicContact CB-CB 4.14Å; L150-N248 HydrophobicContact CD2-CB 3.78Å; L150-N248 HydrophobicContact CG-CB 4.41Å; L150-F250 HydrophobicContact CD2-CD2 3.67Å; L150-F250 HydrophobicContact CD2-CE2 3.63Å
151	D	97.4	Very high	97.6	Very high	76 Å²	76	56.5 Å²	56.5	41%	0.406	30%	0.296	S	S	.	.			trans	-68.2	104.9	178.1	178.2	16.1	0	0	0	111.3	N153 N154 H157	D151-N153 PolarHBondContact O-N 3.34Å; D151-N153 WeakPolarHBondContact OD1-CB 3.26Å; D151-N153 PolarHBondContact OD1-N 3.47Å; D151-N153 PolarHBondContact OD1-ND2 3.19Å; D151-N154 HydrophobicContact CB-CB 4.25Å; D151-N154 PolarHBondContact O-N 3.35Å; D151-H157 WeakPolarHBondContact CB-ND1 3.38Å; D151-H157 PolarHBondContact N-ND1 3.45Å; D151-H157 VanDerWaalsContact O-CB 3.24Å; D151-H157 WeakPolarHBondContact O-CB 3.4Å
152	V	96.7	Very high	97.6	Very high	8 Å²	8	55.8 Å²	55.8	5%	0.048	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-18.8	-177.7	-51.4	0	0	0	0	113.2	L150 N154 R158 W396	L150-V152 PolarHBondContact O-N 2.83Å; V152-N154 VanDerWaalsContact C-N 3.33Å; V152-R158 WeakPolarHBondContact O-CD 3.41Å; V152-R158 WeakPolarHBondContact O-CG 3.46Å; V152-W396 HydrophobicContact CB-CH2 4.45Å; V152-W396 HydrophobicContact CB-CZ2 3.95Å; V152-W396 HydrophobicContact CG1-CH2 4.33Å; V152-W396 HydrophobicContact CG1-CZ2 3.61Å
153	N	95.4	Very high	97.6	Very high	131 Å²	131	57.5 Å²	57.5	70%	0.701	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-14	177.4	-58.4	-62.2	0	0	0	112.2	D151 P155	D151-N153 PolarHBondContact O-N 3.34Å; D151-N153 WeakPolarHBondContact OD1-CB 3.26Å; D151-N153 PolarHBondContact OD1-N 3.47Å; D151-N153 PolarHBondContact OD1-ND2 3.19Å; N153-P155 WeakPolarHBondContact O-CD 3.26Å
154	N	96.4	Very high	97.6	Very high	54 Å²	54	58.1 Å²	58.1	29%	0.289	30%	0.296	S	S	.	.			trans	-89.2	113.1	175.5	-177.1	-20.9	0	0	0	110.2	D151 V152 R156 H157 R158	D151-N154 HydrophobicContact CB-CB 4.25Å; D151-N154 PolarHBondContact O-N 3.35Å; V152-N154 VanDerWaalsContact C-N 3.33Å; N154-R156 PolarHBondContact O-N 3.45Å; N154-R156 WeakPolarHBondContact OD1-CB 3.24Å; N154-R156 PolarHBondContact OD1-N 3.03Å; N154-H157 HydrophobicContact CB-CB 4.04Å; N154-H157 PolarHBondContact ND2-CD2 3.48Å; N154-H157 PolarHBondContact ND2-NE2 3.09Å; N154-H157 PolarHBondContact O-N 3.19Å; N154-R158 PolarHBondContact O-N 3.13Å; N154-R158 VanDerWaalsContact O-N 3.12Å
155	P	95.8	Very high	97.7	Very high	82 Å²	82	54.6 Å²	54.6	53%	0.532	27%	0.266	S	S	.	.	H	α-helix	trans	-54.7	-36.6	179.5	-25.3	34.9	0	0	0	113.7	N153 R158 E159	N153-P155 WeakPolarHBondContact O-CD 3.26Å; P155-R158 PolarHBondContact O-N 3.36Å; P155-E159 PolarHBondContact O-N 2.74Å
156	R	97.8	Very high	97.7	Very high	144 Å²	144	51.6 Å²	51.6	54%	0.543	25%	0.253	S	S	.	.	H	α-helix	trans	-66.9	-37.9	178.5	-178.5	57.2	175.3	-179.9	-2.2	112.1	N154 E159 I160	N154-R156 PolarHBondContact O-N 3.45Å; N154-R156 WeakPolarHBondContact OD1-CB 3.24Å; N154-R156 PolarHBondContact OD1-N 3.03Å; R156-E159 WeakPolarHBondContact CD-OE2 3.25Å; R156-E159 IonicContact CZ-OE2 3.69Å; R156-E159 IonicContact NE-OE2 3.94Å; R156-E159 IonicContact NH1-OE1 3.75Å; R156-E159 IonicContact NH1-OE2 2.72Å; R156-E159 PolarHBondContact NH1-OE2 2.84Å; R156-I160 HydrophobicContact CG-CD1 3.95Å; R156-I160 VanDerWaalsContact O-CG1 3.28Å; R156-I160 WeakPolarHBondContact O-CG1 3.24Å; R156-I160 PolarHBondContact O-N 3.41Å
157	H	98.2	Very high	97.7	Very high	47 Å²	47	50.6 Å²	50.6	22%	0.218	25%	0.249	C	C	.	.	H	α-helix	trans	-67.6	-40.5	175.9	-74.7	-163.3	0	0	0	111.3	D148 D151 N154 E159 I160 A161	D148-H157 PolarHBondContact O-CE1 3.08Å; D148-H157 PolarHBondContact O-NE2 2.93Å; D151-H157 WeakPolarHBondContact CB-ND1 3.38Å; D151-H157 PolarHBondContact N-ND1 3.45Å; D151-H157 VanDerWaalsContact O-CB 3.24Å; D151-H157 WeakPolarHBondContact O-CB 3.4Å; N154-H157 HydrophobicContact CB-CB 4.04Å; N154-H157 PolarHBondContact ND2-CD2 3.48Å; N154-H157 PolarHBondContact ND2-NE2 3.09Å; N154-H157 PolarHBondContact O-N 3.19Å; H157-E159 PolarHBondContact O-N 2.84Å; H157-I160 PolarHBondContact O-N 3.36Å; H157-A161 VanDerWaalsContact O-CB 3.29Å; H157-A161 WeakPolarHBondContact O-CB 2.82Å; H157-A161 PolarHBondContact O-N 3.18Å
158	R	97.7	Very high	97.8	Very high	43 Å²	43	44.7 Å²	44.7	16%	0.162	22%	0.222	C	C	.	.	H	α-helix	trans	-57.7	-48	175	-64.3	-165.1	-80.9	162.6	0.1	111.5	V152 N154 P155 A161 A162 W396 S401	V152-R158 WeakPolarHBondContact O-CD 3.41Å; V152-R158 WeakPolarHBondContact O-CG 3.46Å; N154-R158 PolarHBondContact O-N 3.13Å; N154-R158 VanDerWaalsContact O-N 3.12Å; P155-R158 PolarHBondContact O-N 3.36Å; R158-A161 PolarHBondContact O-N 3.36Å; R158-A162 VanDerWaalsContact O-CB 3.31Å; R158-A162 WeakPolarHBondContact O-CB 3.02Å; R158-A162 PolarHBondContact O-N 3.02Å; R158-W396 HydrophobicContact CB-CH2 4.09Å; R158-W396 HydrophobicContact CB-CZ3 3.88Å; R158-W396 HydrophobicContact CG-CH2 3.63Å; R158-W396 HydrophobicContact CG-CZ3 3.83Å; R158-S401 PolarHBondContact NH1-OG 3.29Å
159	E	97.9	Very high	97.8	Very high	87 Å²	87	40.9 Å²	40.9	41%	0.407	20%	0.201	S	C	.	.	H	α-helix	trans	-60	-51.9	177	-177.3	-168.4	-160.4	0	0	112.1	P155 R156 H157 A161 A162 F163	P155-E159 PolarHBondContact O-N 2.74Å; R156-E159 WeakPolarHBondContact CD-OE2 3.25Å; R156-E159 IonicContact CZ-OE2 3.69Å; R156-E159 IonicContact NE-OE2 3.94Å; R156-E159 IonicContact NH1-OE1 3.75Å; R156-E159 IonicContact NH1-OE2 2.72Å; R156-E159 PolarHBondContact NH1-OE2 2.84Å; H157-E159 PolarHBondContact O-N 2.84Å; E159-A161 VanDerWaalsContact C-N 3.32Å; E159-A161 PolarHBondContact O-N 2.99Å; E159-A162 WeakPolarHBondContact O-CB 3.23Å; E159-A162 PolarHBondContact O-N 3.37Å; E159-F163 HydrophobicContact CG-CD2 3.91Å; E159-F163 HydrophobicContact CG-CE2 3.81Å; E159-F163 WeakPolarHBondContact O-CD2 3.36Å; E159-F163 PolarHBondContact O-N 3.48Å
160	I	98.5	Very high	97.9	Very high	42 Å²	42	41 Å²	41	22%	0.215	20%	0.202	C	C	.	.	H	α-helix	trans	-59	-44.8	179.3	-69.7	168.2	0	0	0	111	R156 H157 R164	R156-I160 HydrophobicContact CG-CD1 3.95Å; R156-I160 VanDerWaalsContact O-CG1 3.28Å; R156-I160 WeakPolarHBondContact O-CG1 3.24Å; R156-I160 PolarHBondContact O-N 3.41Å; H157-I160 PolarHBondContact O-N 3.36Å; I160-R164 HydrophobicContact CG2-CG 4.4Å; I160-R164 WeakPolarHBondContact O-CB 3.26Å; I160-R164 VanDerWaalsContact O-CG 3.27Å; I160-R164 WeakPolarHBondContact O-CG 3.19Å; I160-R164 PolarHBondContact O-N 3.1Å
161	A	98.4	Very high	98	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-41.2	179.6	0	0	0	0	0	112.1	H157 R158 E159 R164 L165 P249 F250	H157-A161 VanDerWaalsContact O-CB 3.29Å; H157-A161 WeakPolarHBondContact O-CB 2.82Å; H157-A161 PolarHBondContact O-N 3.18Å; R158-A161 PolarHBondContact O-N 3.36Å; E159-A161 VanDerWaalsContact C-N 3.32Å; E159-A161 PolarHBondContact O-N 2.99Å; A161-R164 PolarHBondContact O-N 2.88Å; A161-L165 WeakPolarHBondContact O-CB 3.36Å; A161-L165 WeakPolarHBondContact O-CG 3.25Å; A161-L165 PolarHBondContact O-N 3.22Å; A161-P249 HydrophobicContact CB-CB 3.99Å; A161-P249 HydrophobicContact CB-CG 3.33Å; A161-F250 HydrophobicContact CB-CE1 4.49Å; A161-F250 HydrophobicContact CB-CZ 4.13Å
162	A	98.4	Very high	98.1	Very high	12 Å²	12	35.2 Å²	35.2	10%	0.099	17%	0.172	C	C	.	.	H	α-helix	trans	-58.1	-51.2	175.8	0	0	0	0	0	111.6	R158 E159 R164 L165 L166 I393	R158-A162 VanDerWaalsContact O-CB 3.31Å; R158-A162 WeakPolarHBondContact O-CB 3.02Å; R158-A162 PolarHBondContact O-N 3.02Å; E159-A162 WeakPolarHBondContact O-CB 3.23Å; E159-A162 PolarHBondContact O-N 3.37Å; A162-R164 PolarHBondContact O-N 3Å; A162-L165 PolarHBondContact O-N 3.32Å; A162-L166 WeakPolarHBondContact O-CB 3.26Å; A162-L166 PolarHBondContact O-N 3.36Å; A162-I393 HydrophobicContact CB-CG2 3.52Å
163	F	98.7	Very high	98.2	Very high	37 Å²	37	34.9 Å²	34.9	16%	0.162	17%	0.169	C	C	.	.	H	α-helix	trans	-63.2	-41.7	176.7	-80.4	-67.8	0	0	0	112.3	F104 T107 V108 E159 L165 L166 S167	F104-F163 AromaticContact CD2-CE1 3.62Å; F104-F163 HydrophobicContact CD2-CE1 3.62Å; F104-F163 AromaticContact CD2-CZ 3.88Å; F104-F163 HydrophobicContact CD2-CZ 3.88Å; F104-F163 AromaticContact CE2-CE1 3.61Å; F104-F163 HydrophobicContact CE2-CE1 3.61Å; F104-F163 HydrophobicContact CE2-CZ 4.03Å; F104-F163 HydrophobicContact CG-CE1 4.47Å; F104-F163 HydrophobicContact CZ-CE1 4.45Å; T107-F163 HydrophobicContact CG2-CB 4.42Å; T107-F163 HydrophobicContact CG2-CD1 3.57Å; T107-F163 HydrophobicContact CG2-CD2 3.96Å; T107-F163 HydrophobicContact CG2-CE1 3.67Å; T107-F163 HydrophobicContact CG2-CE2 4.05Å; T107-F163 HydrophobicContact CG2-CG 3.73Å; T107-F163 HydrophobicContact CG2-CZ 3.91Å; V108-F163 HydrophobicContact CG2-CD1 3.98Å; V108-F163 HydrophobicContact CG2-CE1 4.14Å; E159-F163 HydrophobicContact CG-CD2 3.91Å; E159-F163 HydrophobicContact CG-CE2 3.81Å; E159-F163 WeakPolarHBondContact O-CD2 3.36Å; E159-F163 PolarHBondContact O-N 3.48Å; F163-L165 VanDerWaalsContact C-N 3.32Å; F163-L165 PolarHBondContact O-N 2.99Å; F163-L166 PolarHBondContact O-N 3.42Å; F163-S167 VanDerWaalsContact O-CB 3.3Å; F163-S167 WeakPolarHBondContact O-CB 3.32Å; F163-S167 PolarHBondContact O-N 3.1Å; F163-S167 PolarHBondContact O-OG 2.88Å
164	R	98.7	Very high	98.3	Very high	31 Å²	31	28.8 Å²	28.8	12%	0.117	14%	0.137	C	C	.	.	H	α-helix	trans	-58.6	-44.1	176.1	-78.2	174.9	174	170.9	-6.9	112	D148 S149 I160 A161 A162 K168 F250	D148-R164 IonicContact OD1-CZ 3.82Å; D148-R164 IonicContact OD1-NH1 3.43Å; D148-R164 PolarHBondContact OD1-NH1 2.85Å; D148-R164 IonicContact OD1-NH2 2.68Å; D148-R164 PolarHBondContact OD1-NH2 3Å; D148-R164 IonicContact OD2-CZ 3.69Å; D148-R164 IonicContact OD2-NH1 3.69Å; D148-R164 PolarHBondContact OD2-NH1 2.91Å; D148-R164 IonicContact OD2-NH2 3.32Å; D148-R164 PolarHBondContact OD2-NH2 2.81Å; S149-R164 PolarHBondContact OG-NH1 3.45Å; I160-R164 HydrophobicContact CG2-CG 4.4Å; I160-R164 WeakPolarHBondContact O-CB 3.26Å; I160-R164 VanDerWaalsContact O-CG 3.27Å; I160-R164 WeakPolarHBondContact O-CG 3.19Å; I160-R164 PolarHBondContact O-N 3.1Å; A161-R164 PolarHBondContact O-N 2.88Å; A162-R164 PolarHBondContact O-N 3Å; R164-K168 HydrophobicContact CB-CD 4.45Å; R164-K168 WeakPolarHBondContact O-CB 3.38Å; R164-K168 WeakPolarHBondContact O-CG 3.35Å; R164-K168 PolarHBondContact O-N 3.37Å; R164-F250 HydrophobicContact CB-CE1 4.25Å
165	L	98.8	Very high	98.4	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-64.4	-54	177.4	-76.8	159.9	0	0	0	110.6	L142 A161 A162 F163 S167 K168 M169 P249 F250 I253 T389 I393	L142-L165 HydrophobicContact CD1-CD2 4.47Å; A161-L165 WeakPolarHBondContact O-CB 3.36Å; A161-L165 WeakPolarHBondContact O-CG 3.25Å; A161-L165 PolarHBondContact O-N 3.22Å; A162-L165 PolarHBondContact O-N 3.32Å; F163-L165 VanDerWaalsContact C-N 3.32Å; F163-L165 PolarHBondContact O-N 2.99Å; L165-S167 VanDerWaalsContact C-N 3.26Å; L165-S167 PolarHBondContact O-N 3.32Å; L165-K168 PolarHBondContact O-N 3.29Å; L165-M169 WeakPolarHBondContact O-CB 3.21Å; L165-M169 WeakPolarHBondContact O-CG 3.45Å; L165-M169 PolarHBondContact O-N 2.94Å; L165-P249 HydrophobicContact CD1-CB 4.31Å; L165-F250 HydrophobicContact CD1-CD1 4.29Å; L165-F250 HydrophobicContact CD2-CD1 3.84Å; L165-F250 HydrophobicContact CD2-CE1 4.44Å; L165-F250 HydrophobicContact CG-CD1 3.9Å; L165-F250 HydrophobicContact CG-CE1 4.07Å; L165-I253 HydrophobicContact CD1-CG1 3.58Å; L165-I253 HydrophobicContact CD2-CB 4.08Å; L165-I253 HydrophobicContact CD2-CG1 3.93Å; L165-I253 HydrophobicContact CD2-CG2 4.15Å; L165-I253 HydrophobicContact CG-CG1 4.35Å; L165-T389 HydrophobicContact CB-CG2 4.2Å; L165-I393 HydrophobicContact CB-CD1 3.67Å; L165-I393 HydrophobicContact CD1-CD1 4.22Å; L165-I393 HydrophobicContact CD1-CG1 4.19Å
166	L	98.7	Very high	98.6	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-55.9	-40.3	-178.9	-177.8	58.6	0	0	0	112.8	Y83 C87 F104 V108 A162 F163 Y194 V390	Y83-L166 HydrophobicContact CE1-CD1 4.44Å; C87-L166 HydrophobicContact CB-CD1 4.49Å; C87-L166 HydrophobicContact CB-CD2 4.16Å; F104-L166 HydrophobicContact CE1-CD2 4.04Å; F104-L166 HydrophobicContact CE2-CD2 4.39Å; F104-L166 HydrophobicContact CZ-CD2 3.48Å; F104-L166 VanDerWaalsContact CZ-CD2 3.48Å; V108-L166 HydrophobicContact CG2-CD2 3.74Å; V108-L166 HydrophobicContact CG2-CG 4.25Å; A162-L166 WeakPolarHBondContact O-CB 3.26Å; A162-L166 PolarHBondContact O-N 3.36Å; F163-L166 PolarHBondContact O-N 3.42Å; L166-Y194 PolarHBondContact O-OH 2.98Å; L166-V390 HydrophobicContact CD1-CB 4.4Å
167	S	98.8	Very high	98.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-76	-37.8	179.3	-60.2	0	0	0	0	114.3	V108 H111 F163 L165	V108-S167 VanDerWaalsContact CA-OG 3.27Å; V108-S167 WeakPolarHBondContact CA-OG 2.99Å; V108-S167 WeakPolarHBondContact O-CB 3.29Å; V108-S167 PolarHBondContact O-OG 2.98Å; H111-S167 VanDerWaalsContact C-CB 3.46Å; H111-S167 WeakPolarHBondContact O-CB 3.46Å; F163-S167 VanDerWaalsContact O-CB 3.3Å; F163-S167 WeakPolarHBondContact O-CB 3.32Å; F163-S167 PolarHBondContact O-N 3.1Å; F163-S167 PolarHBondContact O-OG 2.88Å; L165-S167 VanDerWaalsContact C-N 3.26Å; L165-S167 PolarHBondContact O-N 3.32Å
168	K	98.8	Very high	98.7	Very high	11 Å²	11	14.9 Å²	14.9	5%	0.048	7%	0.069	C	C	.	.	H	α-helix	trans	-94.5	-22.7	-168.6	-63.6	176.9	-166.2	-51.2	0	113.7	H111 M113 I114 Y146 R164 L165 T171 M172	H111-K168 WeakPolarHBondContact O-CG 3.31Å; H111-K168 PolarHBondContact O-NZ 3.39Å; M113-K168 PolarHBondContact O-NZ 3.49Å; I114-K168 HydrophobicContact CG2-CB 4.05Å; I114-K168 HydrophobicContact CG2-CD 4.23Å; I114-K168 HydrophobicContact CG2-CG 4.07Å; Y146-K168 HydrophobicContact CE2-CD 3.85Å; Y146-K168 VanDerWaalsContact OH-CE 3.25Å; Y146-K168 WeakPolarHBondContact OH-CE 3.48Å; R164-K168 HydrophobicContact CB-CD 4.45Å; R164-K168 WeakPolarHBondContact O-CB 3.38Å; R164-K168 WeakPolarHBondContact O-CG 3.35Å; R164-K168 PolarHBondContact O-N 3.37Å; L165-K168 PolarHBondContact O-N 3.29Å; K168-T171 WeakPolarHBondContact O-CB 3.34Å; K168-T171 PolarHBondContact O-N 3.43Å; K168-M172 HydrophobicContact CB-CE 4.38Å; K168-M172 WeakPolarHBondContact O-CG 3.4Å; K168-M172 PolarHBondContact O-N 2.85Å
169	M	98.9	Very high	98.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-51.7	-47.9	176.1	-75.1	-59.4	-76.9	0	0	113.5	M135 L165 T171 M172 A173 I257 M386 T389	M135-M169 HydrophobicContact CE-CE 3.18Å; M135-M169 HydrophobicContact CE-SD 3.5Å; M135-M169 WeakPolarHBondContact CE-SD 3.37Å; L165-M169 WeakPolarHBondContact O-CB 3.21Å; L165-M169 WeakPolarHBondContact O-CG 3.45Å; L165-M169 PolarHBondContact O-N 2.94Å; M169-T171 PolarHBondContact O-N 2.9Å; M169-M172 HydrophobicContact CG-CE 4.33Å; M169-M172 PolarHBondContact O-N 3.27Å; M169-M172 HydrophobicContact SD-CE 3.47Å; M169-M172 WeakPolarHBondContact SD-CE 3.34Å; M169-A173 VanDerWaalsContact O-CB 3.29Å; M169-A173 WeakPolarHBondContact O-CB 3.49Å; M169-A173 PolarHBondContact O-N 2.97Å; M169-I257 HydrophobicContact CE-CD1 3.69Å; M169-I257 HydrophobicContact CE-CG1 4.39Å; M169-I257 HydrophobicContact SD-CD1 4.49Å; M169-M386 HydrophobicContact CB-CG 4.1Å; M169-T389 VanDerWaalsContact CE-OG1 3.26Å; M169-T389 WeakPolarHBondContact CE-OG1 3.36Å; M169-T389 HydrophobicContact CG-CG2 3.83Å
170	P	98.8	Very high	98.7	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.019	6%	0.058	C	C	.	.	H	α-helix	trans	-65.9	-37.2	178.2	25.3	-35.6	0	0	0	113.3	A173 A174 Y194 F198 M201 M386	P170-A173 PolarHBondContact O-N 3.48Å; P170-A174 WeakPolarHBondContact O-CB 3.4Å; P170-A174 PolarHBondContact O-N 3.04Å; P170-Y194 HydrophobicContact CB-CE1 4.42Å; P170-Y194 VanDerWaalsContact CD-OH 3.26Å; P170-Y194 WeakPolarHBondContact CD-OH 3.5Å; P170-Y194 HydrophobicContact CG-CE1 4.25Å; P170-Y194 HydrophobicContact CG-CE2 4.04Å; P170-Y194 WeakPolarHBondContact CG-OH 3.11Å; P170-F198 HydrophobicContact CB-CB 4.46Å; P170-F198 HydrophobicContact CB-CD2 3.91Å; P170-M201 HydrophobicContact CB-CE 4.15Å; P170-M386 WeakPolarHBondContact CA-SD 3.42Å; P170-M386 HydrophobicContact CB-CG 4.46Å; P170-M386 HydrophobicContact CB-SD 3.66Å
171	T	98.9	Very high	98.7	Very high	4 Å²	4	12.5 Å²	12.5	3%	0.025	6%	0.064	C	C	.	.	H	α-helix	trans	-61.5	-48.7	174.4	-48.3	0	0	0	0	110.7	T112 I114 K168 M169 A174 M175 P188 M201	T112-T171 PolarHBondContact O-OG1 3.19Å; I114-T171 HydrophobicContact CG2-CG2 4.01Å; K168-T171 WeakPolarHBondContact O-CB 3.34Å; K168-T171 PolarHBondContact O-N 3.43Å; M169-T171 PolarHBondContact O-N 2.9Å; T171-A174 PolarHBondContact O-N 2.96Å; T171-M175 HydrophobicContact CG2-SD 4.08Å; T171-M175 WeakPolarHBondContact O-CB 3.36Å; T171-M175 WeakPolarHBondContact O-CG 3.48Å; T171-M175 PolarHBondContact O-N 3.32Å; T171-P188 HydrophobicContact CG2-CG 4.08Å; T171-M201 HydrophobicContact CG2-SD 4.41Å
172	M	98.9	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.8	-40.4	179.2	-66.7	-176.6	-57.3	0	0	112.3	I114 F122 M135 I138 L142 K168 M169 M175 C176	I114-M172 HydrophobicContact CG2-CG 4.17Å; F122-M172 HydrophobicContact CZ-CB 4.35Å; M135-M172 HydrophobicContact CE-CB 3.97Å; M135-M172 HydrophobicContact CE-CE 4.21Å; M135-M172 HydrophobicContact SD-CB 3.94Å; I138-M172 HydrophobicContact CG2-CG 4.15Å; I138-M172 HydrophobicContact CG2-SD 3.63Å; L142-M172 HydrophobicContact CD1-CE 4.06Å; L142-M172 HydrophobicContact CD1-SD 4.1Å; L142-M172 HydrophobicContact CD2-SD 4Å; L142-M172 HydrophobicContact CG-SD 4.42Å; K168-M172 HydrophobicContact CB-CE 4.38Å; K168-M172 WeakPolarHBondContact O-CG 3.4Å; K168-M172 PolarHBondContact O-N 2.85Å; M169-M172 HydrophobicContact CG-CE 4.33Å; M169-M172 PolarHBondContact O-N 3.27Å; M169-M172 HydrophobicContact SD-CE 3.47Å; M169-M172 WeakPolarHBondContact SD-CE 3.34Å; M172-M175 PolarHBondContact O-N 3.18Å; M172-C176 PolarHBondContact O-N 3.43Å; M172-C176 PolarHBondContact O-SG 3.27Å
173	A	98.9	Very high	98.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.1	-48.3	177	0	0	0	0	0	111.5	M135 M169 P170 M175 C176 Y177 F198 M379 V382 M386	M135-A173 HydrophobicContact CE-CB 4.29Å; M169-A173 VanDerWaalsContact O-CB 3.29Å; M169-A173 WeakPolarHBondContact O-CB 3.49Å; M169-A173 PolarHBondContact O-N 2.97Å; P170-A173 PolarHBondContact O-N 3.48Å; A173-M175 VanDerWaalsContact C-N 3.32Å; A173-M175 PolarHBondContact O-N 2.79Å; A173-C176 WeakPolarHBondContact O-CB 3.37Å; A173-C176 PolarHBondContact O-N 3.25Å; A173-C176 VanDerWaalsContact O-N 3.16Å; A173-Y177 PolarHBondContact O-N 3.17Å; A173-F198 HydrophobicContact CB-CE2 3.96Å; A173-M379 WeakPolarHBondContact O-CE 3.39Å; A173-V382 HydrophobicContact CB-CG1 3.69Å; A173-M386 HydrophobicContact CB-SD 3.95Å
174	A	98.9	Very high	98.7	Very high	3 Å²	3	19.5 Å²	19.5	3%	0.025	12%	0.116	C	C	.	.	H	α-helix	trans	-64.1	-37	177.3	0	0	0	0	0	112.4	P170 T171 Y177 K178 F198 M201 M202	P170-A174 WeakPolarHBondContact O-CB 3.4Å; P170-A174 PolarHBondContact O-N 3.04Å; T171-A174 PolarHBondContact O-N 2.96Å; A174-Y177 WeakPolarHBondContact O-CB 3.17Å; A174-Y177 PolarHBondContact O-N 2.88Å; A174-K178 WeakPolarHBondContact O-CG 3.38Å; A174-K178 PolarHBondContact O-N 3.08Å; A174-F198 HydrophobicContact CB-CD2 4.36Å; A174-F198 HydrophobicContact CB-CE2 4.17Å; A174-M201 HydrophobicContact CB-CB 3.52Å; A174-M202 HydrophobicContact CB-CG 4.18Å; A174-M202 HydrophobicContact CB-SD 4.12Å
175	M	98.9	Very high	98.7	Very high	7 Å²	7	20.2 Å²	20.2	3%	0.034	12%	0.12	C	C	.	.	H	α-helix	trans	-65.3	-37.1	173	-70.7	172.7	79.3	0	0	112.6	I114 T119 F122 T171 M172 A173 Y177 Y179 F185	I114-M175 HydrophobicContact CD1-CE 3.69Å; I114-M175 HydrophobicContact CD1-SD 3.43Å; I114-M175 WeakPolarHBondContact CD1-SD 3.49Å; I114-M175 HydrophobicContact CG1-SD 4.14Å; T119-M175 HydrophobicContact CG2-CE 3.73Å; F122-M175 HydrophobicContact CD1-CB 4.24Å; F122-M175 HydrophobicContact CD2-CE 3.81Å; F122-M175 HydrophobicContact CE1-CB 3.68Å; F122-M175 HydrophobicContact CE2-CB 4.26Å; F122-M175 HydrophobicContact CE2-CE 3.82Å; F122-M175 HydrophobicContact CE2-SD 4.1Å; F122-M175 HydrophobicContact CG-CE 4.39Å; F122-M175 HydrophobicContact CZ-CB 3.69Å; F122-M175 HydrophobicContact CZ-CE 4.41Å; F122-M175 HydrophobicContact CZ-SD 4.33Å; T171-M175 HydrophobicContact CG2-SD 4.08Å; T171-M175 WeakPolarHBondContact O-CB 3.36Å; T171-M175 WeakPolarHBondContact O-CG 3.48Å; T171-M175 PolarHBondContact O-N 3.32Å; M172-M175 PolarHBondContact O-N 3.18Å; A173-M175 VanDerWaalsContact C-N 3.32Å; A173-M175 PolarHBondContact O-N 2.79Å; M175-Y177 VanDerWaalsContact C-N 3.3Å; M175-Y177 PolarHBondContact O-N 3.07Å; M175-Y179 WeakPolarHBondContact O-CB 3.25Å; M175-Y179 PolarHBondContact O-N 3.31Å; M175-F185 HydrophobicContact CB-CD1 3.98Å; M175-F185 HydrophobicContact CB-CE1 3.92Å; M175-F185 HydrophobicContact CB-CG 4.47Å; M175-F185 HydrophobicContact CB-CZ 4.31Å; M175-F185 HydrophobicContact CE-CB 4.4Å; M175-F185 HydrophobicContact CE-CD1 4.31Å; M175-F185 HydrophobicContact CE-CD2 3.24Å; M175-F185 HydrophobicContact CE-CE1 4.43Å; M175-F185 HydrophobicContact CE-CE2 3.34Å; M175-F185 HydrophobicContact CE-CG 3.75Å; M175-F185 HydrophobicContact CE-CZ 3.97Å; M175-F185 HydrophobicContact CG-CB 4.27Å; M175-F185 HydrophobicContact CG-CD1 3.88Å; M175-F185 HydrophobicContact CG-CD2 4.39Å; M175-F185 HydrophobicContact CG-CE1 4.28Å; M175-F185 HydrophobicContact CG-CG 3.94Å; M175-F185 VanDerWaalsContact O-CE1 3.25Å; M175-F185 WeakPolarHBondContact O-CE1 3.49Å
176	C	98.8	Very high	98.7	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.02	13%	0.127	C	C	.	.	H	α-helix	trans	-58.1	-44.7	172.6	-66.8	0	0	0	0	110.9	P131 M172 A173 S180	P131-C176 HydrophobicContact CB-CB 4.19Å; M172-C176 PolarHBondContact O-N 3.43Å; M172-C176 PolarHBondContact O-SG 3.27Å; A173-C176 WeakPolarHBondContact O-CB 3.37Å; A173-C176 PolarHBondContact O-N 3.25Å; A173-C176 VanDerWaalsContact O-N 3.16Å; C176-S180 PolarHBondContact O-N 2.75Å; C176-S180 VanDerWaalsContact O-N 3.08Å
177	Y	98.8	Very high	98.7	Very high	25 Å²	25	27.6 Å²	27.6	10%	0.098	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-57.7	176.5	174	-119.4	0	0	0	112.3	A173 A174 M175 Y179 S180 I181 M202 F203 P376 M379	A173-Y177 PolarHBondContact O-N 3.17Å; A174-Y177 WeakPolarHBondContact O-CB 3.17Å; A174-Y177 PolarHBondContact O-N 2.88Å; M175-Y177 VanDerWaalsContact C-N 3.3Å; M175-Y177 PolarHBondContact O-N 3.07Å; Y177-Y179 PolarHBondContact O-N 3.11Å; Y177-S180 PolarHBondContact O-N 3.17Å; Y177-S180 PolarHBondContact O-OG 2.68Å; Y177-I181 HydrophobicContact CD1-CD1 4.45Å; Y177-I181 HydrophobicContact CD2-CG2 4.35Å; Y177-I181 HydrophobicContact CE1-CD1 3.82Å; Y177-I181 HydrophobicContact CE2-CD1 4.14Å; Y177-I181 HydrophobicContact CE2-CG2 3.86Å; Y177-I181 PolarHBondContact O-N 2.93Å; Y177-M202 WeakPolarHBondContact CB-SD 3.39Å; Y177-M202 HydrophobicContact CD1-CB 4.18Å; Y177-M202 HydrophobicContact CD1-CE 3.47Å; Y177-M202 VanDerWaalsContact CD1-CE 3.47Å; Y177-M202 WeakPolarHBondContact CD1-O 3.1Å; Y177-M202 HydrophobicContact CD1-SD 3.55Å; Y177-M202 VanDerWaalsContact CD1-SD 3.55Å; Y177-M202 HydrophobicContact CD2-CE 4.06Å; Y177-M202 HydrophobicContact CE1-CB 4.43Å; Y177-M202 HydrophobicContact CE1-CE 4.01Å; Y177-M202 WeakPolarHBondContact CE1-O 3.32Å; Y177-M202 HydrophobicContact CE1-SD 4.49Å; Y177-M202 HydrophobicContact CG-CE 3.48Å; Y177-M202 VanDerWaalsContact CG-CE 3.48Å; Y177-M202 HydrophobicContact CG-SD 3.72Å; Y177-F203 HydrophobicContact CE1-CD1 4.25Å; Y177-F203 HydrophobicContact CE1-CE1 4.24Å; Y177-P376 HydrophobicContact CD2-CG 3.93Å; Y177-P376 HydrophobicContact CE2-CG 3.68Å; Y177-M379 HydrophobicContact CD2-CG 4.01Å; Y177-M379 HydrophobicContact CG-CG 4.45Å
178	K	98.8	Very high	98.7	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-53.4	-39.8	178.7	-74.1	-60.1	-161.5	-161.4	0	112	A174 I181 G182 Q183 P184 F185 M201 M202 S204	A174-K178 WeakPolarHBondContact O-CG 3.38Å; A174-K178 PolarHBondContact O-N 3.08Å; K178-I181 PolarHBondContact O-N 3.45Å; K178-G182 PolarHBondContact O-N 3.16Å; K178-G182 VanDerWaalsContact O-N 3.16Å; K178-Q183 HydrophobicContact CD-CB 3.74Å; K178-Q183 PolarHBondContact O-N 2.75Å; K178-Q183 VanDerWaalsContact O-N 3.07Å; K178-P184 WeakPolarHBondContact CD-O 3.15Å; K178-F185 HydrophobicContact CB-CD1 3.75Å; K178-F185 HydrophobicContact CB-CE1 4.15Å; K178-M201 VanDerWaalsContact CE-O 3.28Å; K178-M201 WeakPolarHBondContact CE-O 3.29Å; K178-M202 WeakPolarHBondContact CE-O 3.25Å; K178-M202 PolarHBondContact NZ-O 3.38Å; K178-S204 WeakPolarHBondContact CE-O 3.43Å; K178-S204 PolarHBondContact NZ-O 3.34Å
179	Y	98.7	Very high	98.7	Very high	13 Å²	13	33.6 Å²	33.6	5%	0.051	18%	0.177	C	C	.	.	H	α-helix	trans	-62.9	-44.6	176.7	-169.7	-101.9	0	0	0	112	F122 F125 R127 M175 Y177 I181 G182 F185	F122-Y179 HydrophobicContact CB-CD2 4.48Å; F122-Y179 WeakPolarHBondContact O-CE2 3.34Å; F125-Y179 HydrophobicContact CB-CE1 4.18Å; F125-Y179 PolarHBondContact O-OH 3.23Å; R127-Y179 VanDerWaalsContact CD-O 3.24Å; R127-Y179 WeakPolarHBondContact CD-O 3.49Å; R127-Y179 HydrophobicContact CG-CE1 4.5Å; R127-Y179 VanDerWaalsContact NH1-CD2 3.29Å; R127-Y179 PolarHBondContact NH1-O 2.73Å; M175-Y179 WeakPolarHBondContact O-CB 3.25Å; M175-Y179 PolarHBondContact O-N 3.31Å; Y177-Y179 PolarHBondContact O-N 3.11Å; Y179-I181 VanDerWaalsContact C-N 3.31Å; Y179-I181 PolarHBondContact O-N 2.97Å; Y179-G182 PolarHBondContact O-N 3.27Å; Y179-F185 HydrophobicContact CD2-CE1 4.39Å; Y179-F185 AromaticContact CD2-CZ 3.98Å; Y179-F185 HydrophobicContact CD2-CZ 3.98Å; Y179-F185 HydrophobicContact CG-CZ 4.5Å
180	S	98.5	Very high	98.7	Very high	39 Å²	39	37.7 Å²	37.7	27%	0.273	20%	0.199	S	C	.	.	H	α-helix	trans	-64.5	-31.8	-178.9	71.9	0	0	0	0	113.8	C176 Y177	C176-S180 PolarHBondContact O-N 2.75Å; C176-S180 VanDerWaalsContact O-N 3.08Å; Y177-S180 PolarHBondContact O-N 3.17Å; Y177-S180 PolarHBondContact O-OG 2.68Å
181	I	98.4	Very high	98.7	Very high	69 Å²	69	42.7 Å²	42.7	35%	0.354	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	2.3	-178.3	66.3	168.4	0	0	0	114.2	Y177 K178 Y179 Q183	Y177-I181 HydrophobicContact CD1-CD1 4.45Å; Y177-I181 HydrophobicContact CD2-CG2 4.35Å; Y177-I181 HydrophobicContact CE1-CD1 3.82Å; Y177-I181 HydrophobicContact CE2-CD1 4.14Å; Y177-I181 HydrophobicContact CE2-CG2 3.86Å; Y177-I181 PolarHBondContact O-N 2.93Å; K178-I181 PolarHBondContact O-N 3.45Å; Y179-I181 VanDerWaalsContact C-N 3.31Å; Y179-I181 PolarHBondContact O-N 2.97Å; I181-Q183 HydrophobicContact CD1-CB 4.16Å; I181-Q183 VanDerWaalsContact CD1-CD 3.43Å; I181-Q183 HydrophobicContact CD1-CG 3.8Å; I181-Q183 HydrophobicContact CG1-CB 4.09Å; I181-Q183 HydrophobicContact CG1-CG 4Å; I181-Q183 PolarHBondContact O-N 2.97Å
182	G	98.3	Very high	98.7	Very high	53 Å²	53	44.4 Å²	44.4	55%	0.546	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	17.3	177.1	0	0	0	0	0	115.5	K178 Y179	K178-G182 PolarHBondContact O-N 3.16Å; K178-G182 VanDerWaalsContact O-N 3.16Å; Y179-G182 PolarHBondContact O-N 3.27Å
183	Q	98.6	Very high	98.7	Very high	71 Å²	71	46.5 Å²	46.5	33%	0.332	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-92.1	157.4	176.6	-74.1	-173.3	1.9	0	0	111.9	K178 I181	K178-Q183 HydrophobicContact CD-CB 3.74Å; K178-Q183 PolarHBondContact O-N 2.75Å; K178-Q183 VanDerWaalsContact O-N 3.07Å; I181-Q183 HydrophobicContact CD1-CB 4.16Å; I181-Q183 VanDerWaalsContact CD1-CD 3.43Å; I181-Q183 HydrophobicContact CD1-CG 3.8Å; I181-Q183 HydrophobicContact CG1-CB 4.09Å; I181-Q183 HydrophobicContact CG1-CG 4Å; I181-Q183 PolarHBondContact O-N 2.97Å
184	P	98.5	Very high	98.7	Very high	72 Å²	72	47.5 Å²	47.5	47%	0.468	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-66	149.9	176.2	28.2	-35.2	0	0	0	111.6	K178 P206	K178-P184 WeakPolarHBondContact CD-O 3.15Å; P184-P206 HydrophobicContact CG-CG 3.94Å
185	F	98.8	Very high	98.7	Very high	46 Å²	46	47.3 Å²	47.3	20%	0.202	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-67.3	142.2	171.6	-60.1	-32.5	0	0	0	111.1	T119 F122 H123 M175 K178 Y179	T119-F185 HydrophobicContact CG2-CD2 3.61Å; T119-F185 HydrophobicContact CG2-CE2 3.75Å; F122-F185 HydrophobicContact CB-CE2 4.09Å; F122-F185 HydrophobicContact CB-CZ 3.79Å; F122-F185 HydrophobicContact CD1-CZ 4.26Å; F122-F185 HydrophobicContact CG-CE2 4.4Å; F122-F185 HydrophobicContact CG-CZ 4.05Å; H123-F185 AromaticContact CE1-CE2 3.49Å; H123-F185 VanDerWaalsContact CE1-CE2 3.49Å; H123-F185 WeakPolarHBondContact CE1-CE2 3.45Å; M175-F185 HydrophobicContact CB-CD1 3.98Å; M175-F185 HydrophobicContact CB-CE1 3.92Å; M175-F185 HydrophobicContact CB-CG 4.47Å; M175-F185 HydrophobicContact CB-CZ 4.31Å; M175-F185 HydrophobicContact CE-CB 4.4Å; M175-F185 HydrophobicContact CE-CD1 4.31Å; M175-F185 HydrophobicContact CE-CD2 3.24Å; M175-F185 HydrophobicContact CE-CE1 4.43Å; M175-F185 HydrophobicContact CE-CE2 3.34Å; M175-F185 HydrophobicContact CE-CG 3.75Å; M175-F185 HydrophobicContact CE-CZ 3.97Å; M175-F185 HydrophobicContact CG-CB 4.27Å; M175-F185 HydrophobicContact CG-CD1 3.88Å; M175-F185 HydrophobicContact CG-CD2 4.39Å; M175-F185 HydrophobicContact CG-CE1 4.28Å; M175-F185 HydrophobicContact CG-CG 3.94Å; M175-F185 VanDerWaalsContact O-CE1 3.25Å; M175-F185 WeakPolarHBondContact O-CE1 3.49Å; K178-F185 HydrophobicContact CB-CD1 3.75Å; K178-F185 HydrophobicContact CB-CE1 4.15Å; Y179-F185 HydrophobicContact CD2-CE1 4.39Å; Y179-F185 AromaticContact CD2-CZ 3.98Å; Y179-F185 HydrophobicContact CD2-CZ 3.98Å; Y179-F185 HydrophobicContact CG-CZ 4.5Å
186	V	98.8	Very high	98.7	Very high	27 Å²	27	47 Å²	47	16%	0.164	25%	0.249	C	C	.	.			trans	-108.9	129.9	178.6	175.9	0	0	0	0	108.1	M201 S204	V186-M201 HydrophobicContact CB-CB 4.46Å; V186-M201 HydrophobicContact CG1-CG 4.25Å; V186-S204 VanDerWaalsContact CG1-OG 3.32Å; V186-S204 WeakPolarHBondContact CG1-OG 3.5Å; V186-S204 WeakPolarHBondContact CG2-OG 3.47Å
187	Y	98.7	Very high	98.7	Very high	133 Å²	133	47.3 Å²	47.3	52%	0.522	25%	0.251	S	S	.	.			trans	-74.8	152.4	177.4	-75.6	-81.1	0	0	0	111.9	M113 E116	M113-Y187 HydrophobicContact CG-CD1 4.22Å; M113-Y187 HydrophobicContact CG-CE1 4.33Å; M113-Y187 HydrophobicContact SD-CD1 4.12Å; M113-Y187 HydrophobicContact SD-CE1 4.13Å; E116-Y187 PolarHBondContact OE1-OH 3.04Å
188	P	98.8	Very high	98.7	Very high	21 Å²	21	46.1 Å²	46.1	14%	0.136	25%	0.246	C	C	.	.			trans	-58.7	144.3	171.3	-22.8	33.2	0	0	0	112.5	T112 T171 N197 M201	T112-P188 VanDerWaalsContact OG1-CB 3.31Å; T112-P188 WeakPolarHBondContact OG1-CB 3.35Å; T171-P188 HydrophobicContact CG2-CG 4.08Å; P188-N197 WeakPolarHBondContact CA-OD1 3.47Å; P188-M201 HydrophobicContact CB-SD 4.14Å; P188-M201 HydrophobicContact CG-SD 3.8Å
189	R	98.7	Very high	98.7	Very high	116 Å²	116	46 Å²	46	44%	0.438	25%	0.246	S	C	.	.			trans	-109.2	124.4	172.2	-79.2	-169.1	64.1	169.1	3	110.6	D191 L192 N197	R189-D191 VanDerWaalsContact C-N 3.26Å; R189-D191 WeakPolarHBondContact CB-OD1 3.44Å; R189-D191 IonicContact CZ-OD1 3.48Å; R189-D191 IonicContact CZ-OD2 2.92Å; R189-D191 IonicContact NE-OD1 3.82Å; R189-D191 PolarHBondContact NE-OD1 2.82Å; R189-D191 IonicContact NE-OD2 2.72Å; R189-D191 VanDerWaalsContact NH2-CG 3.33Å; R189-D191 IonicContact NH2-OD1 3.36Å; R189-D191 PolarHBondContact NH2-OD1 2.99Å; R189-D191 IonicContact NH2-OD2 3.42Å; R189-D191 PolarHBondContact NH2-OD2 3.3Å; R189-D191 PolarHBondContact O-N 2.89Å; R189-L192 HydrophobicContact CB-CB 4.44Å; R189-L192 HydrophobicContact CB-CD1 3.91Å; R189-L192 HydrophobicContact CB-CG 3.96Å; R189-L192 PolarHBondContact O-N 3.03Å; R189-N197 PolarHBondContact N-OD1 3.43Å
190	N	98.4	Very high	98.7	Very high	86 Å²	86	45.9 Å²	45.9	46%	0.46	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-18.2	-176.5	-66.4	-17.4	0	0	0	113.7	T109 R110	T109-N190 HydrophobicContact CG2-CB 3.75Å; T109-N190 WeakPolarHBondContact CG2-OD1 3.32Å; R110-N190 PolarHBondContact NH1-ND2 3.14Å
191	D	98.5	Very high	98.7	Very high	107 Å²	107	44.1 Å²	44.1	57%	0.572	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-9.7	-178.1	62.8	-67.9	0	0	0	113.4	R189	R189-D191 VanDerWaalsContact C-N 3.26Å; R189-D191 WeakPolarHBondContact CB-OD1 3.44Å; R189-D191 IonicContact CZ-OD1 3.48Å; R189-D191 IonicContact CZ-OD2 2.92Å; R189-D191 IonicContact NE-OD1 3.82Å; R189-D191 PolarHBondContact NE-OD1 2.82Å; R189-D191 IonicContact NE-OD2 2.72Å; R189-D191 VanDerWaalsContact NH2-CG 3.33Å; R189-D191 IonicContact NH2-OD1 3.36Å; R189-D191 PolarHBondContact NH2-OD1 2.99Å; R189-D191 IonicContact NH2-OD2 3.42Å; R189-D191 PolarHBondContact NH2-OD2 3.3Å; R189-D191 PolarHBondContact O-N 2.89Å
192	L	98.7	Very high	98.7	Very high	40 Å²	40	40.8 Å²	40.8	21%	0.209	22%	0.216	C	C	.	.	S	Bend	trans	-93	158.3	177.4	-63.3	-177.8	0	0	0	111.7	R189 N197 N200	R189-L192 HydrophobicContact CB-CB 4.44Å; R189-L192 HydrophobicContact CB-CD1 3.91Å; R189-L192 HydrophobicContact CB-CG 3.96Å; R189-L192 PolarHBondContact O-N 3.03Å; L192-N197 HydrophobicContact CB-CB 3.91Å; L192-N200 HydrophobicContact CD1-CB 3.65Å
193	S	98.7	Very high	98.7	Very high	44 Å²	44	40.4 Å²	40.4	31%	0.308	20%	0.2	S	C	.	.			trans	-67.7	172.5	169.5	85.1	0	0	0	0	111.4	A195 G196 N197 E217	S193-A195 PolarHBondContact OG-N 3.43Å; S193-G196 PolarHBondContact OG-N 2.68Å; S193-N197 WeakPolarHBondContact O-CB 3.26Å; S193-N197 PolarHBondContact O-N 3.2Å; S193-E217 VanDerWaalsContact CB-OE1 3.24Å; S193-E217 WeakPolarHBondContact CB-OE1 3.39Å; S193-E217 PolarHBondContact OG-OE1 3.35Å
194	Y	98.8	Very high	98.7	Very high	21 Å²	21	37.6 Å²	37.6	8%	0.082	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-49.2	176.9	-167.3	-85.7	0	0	0	112.1	Y83 L84 V108 L166 P170 F198 L224	Y83-Y194 AromaticContact CD1-CD1 3.6Å; Y83-Y194 HydrophobicContact CD1-CD1 3.6Å; Y83-Y194 AromaticContact CD1-CE1 3.63Å; Y83-Y194 HydrophobicContact CD1-CE1 3.63Å; Y83-Y194 HydrophobicContact CD1-CG 4.16Å; Y83-Y194 AromaticContact CE1-CD1 3.97Å; Y83-Y194 HydrophobicContact CE1-CD1 3.97Å; Y83-Y194 AromaticContact CE1-CE1 3.47Å; Y83-Y194 HydrophobicContact CE1-CE1 3.47Å; Y83-Y194 VanDerWaalsContact CE1-CE1 3.47Å; Y83-Y194 AromaticContact CE1-CZ 3.76Å; L84-Y194 HydrophobicContact CD2-CD2 3.69Å; L84-Y194 HydrophobicContact CD2-CE2 4.22Å; L84-Y194 HydrophobicContact CD2-CG 4.24Å; L84-Y194 HydrophobicContact CG-CD2 4.27Å; L84-Y194 HydrophobicContact CG-CG 4.43Å; V108-Y194 HydrophobicContact CG1-CD2 4.36Å; V108-Y194 HydrophobicContact CG1-CE2 4.29Å; L166-Y194 PolarHBondContact O-OH 2.98Å; P170-Y194 HydrophobicContact CB-CE1 4.42Å; P170-Y194 VanDerWaalsContact CD-OH 3.26Å; P170-Y194 WeakPolarHBondContact CD-OH 3.5Å; P170-Y194 HydrophobicContact CG-CE1 4.25Å; P170-Y194 HydrophobicContact CG-CE2 4.04Å; P170-Y194 WeakPolarHBondContact CG-OH 3.11Å; Y194-F198 PolarHBondContact O-N 2.76Å; Y194-F198 VanDerWaalsContact O-N 3.12Å; Y194-L224 HydrophobicContact CD1-CD1 3.67Å; Y194-L224 HydrophobicContact CE1-CD1 3.84Å
195	A	98.8	Very high	98.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-69.2	-45.5	179	0	0	0	0	0	112	S193 N197 F198 L199 E217 M220 D221	S193-A195 PolarHBondContact OG-N 3.43Å; A195-N197 VanDerWaalsContact C-N 3.35Å; A195-N197 PolarHBondContact O-N 3.14Å; A195-F198 WeakPolarHBondContact O-CB 3.31Å; A195-F198 PolarHBondContact O-N 3.48Å; A195-F198 VanDerWaalsContact O-N 3.16Å; A195-L199 WeakPolarHBondContact O-CG 3.24Å; A195-L199 PolarHBondContact O-N 3.36Å; A195-E217 HydrophobicContact CB-CG 4.25Å; A195-M220 HydrophobicContact CB-CB 4.2Å; A195-M220 HydrophobicContact CB-CG 4.07Å; A195-D221 HydrophobicContact CB-CB 3.86Å
196	G	98.8	Very high	98.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.5	-39.7	178.6	0	0	0	0	0	112.5	S193 L199 N200 E217	S193-G196 PolarHBondContact OG-N 2.68Å; G196-L199 PolarHBondContact O-N 2.79Å; G196-N200 WeakPolarHBondContact O-CB 3.25Å; G196-N200 PolarHBondContact O-N 2.94Å; G196-E217 WeakPolarHBondContact CA-OE1 3.5Å
197	N	98.9	Very high	98.7	Very high	9 Å²	9	43.6 Å²	43.6	5%	0.048	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-41.4	173.3	-177.1	48.1	0	0	0	111.6	P188 R189 L192 S193 A195 N200 M201	P188-N197 WeakPolarHBondContact CA-OD1 3.47Å; R189-N197 PolarHBondContact N-OD1 3.43Å; L192-N197 HydrophobicContact CB-CB 3.91Å; S193-N197 WeakPolarHBondContact O-CB 3.26Å; S193-N197 PolarHBondContact O-N 3.2Å; A195-N197 VanDerWaalsContact C-N 3.35Å; A195-N197 PolarHBondContact O-N 3.14Å; N197-N200 PolarHBondContact O-N 3.32Å; N197-M201 WeakPolarHBondContact ND2-CE 3.3Å; N197-M201 WeakPolarHBondContact O-CB 3.49Å; N197-M201 VanDerWaalsContact O-CG 3.31Å; N197-M201 WeakPolarHBondContact O-CG 3.44Å; N197-M201 PolarHBondContact O-N 2.95Å
198	F	98.9	Very high	98.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.2	-46	176.1	178.8	-113.7	0	0	0	112.1	P170 A173 A174 Y194 A195 N200 M201 M202 M220 I383 M386	P170-F198 HydrophobicContact CB-CB 4.46Å; P170-F198 HydrophobicContact CB-CD2 3.91Å; A173-F198 HydrophobicContact CB-CE2 3.96Å; A174-F198 HydrophobicContact CB-CD2 4.36Å; A174-F198 HydrophobicContact CB-CE2 4.17Å; Y194-F198 PolarHBondContact O-N 2.76Å; Y194-F198 VanDerWaalsContact O-N 3.12Å; A195-F198 WeakPolarHBondContact O-CB 3.31Å; A195-F198 PolarHBondContact O-N 3.48Å; A195-F198 VanDerWaalsContact O-N 3.16Å; F198-N200 PolarHBondContact O-N 3.39Å; F198-M201 PolarHBondContact O-N 3.05Å; F198-M202 HydrophobicContact CD1-CG 4.43Å; F198-M202 HydrophobicContact CD2-CG 4.26Å; F198-M202 HydrophobicContact CE1-CG 4.01Å; F198-M202 HydrophobicContact CE2-CG 3.82Å; F198-M202 HydrophobicContact CE2-SD 4.03Å; F198-M202 HydrophobicContact CZ-CE 4.49Å; F198-M202 HydrophobicContact CZ-CG 3.68Å; F198-M202 HydrophobicContact CZ-SD 3.81Å; F198-M202 VanDerWaalsContact O-CG 3.29Å; F198-M202 WeakPolarHBondContact O-CG 3.36Å; F198-M202 PolarHBondContact O-N 3.29Å; F198-M220 HydrophobicContact CD1-CE 4.35Å; F198-M220 HydrophobicContact CD1-CG 4.15Å; F198-M220 HydrophobicContact CD1-SD 3.88Å; F198-M220 HydrophobicContact CE1-CE 4.16Å; F198-M220 HydrophobicContact CE1-SD 3.98Å; F198-I383 HydrophobicContact CE1-CD1 4.08Å; F198-I383 HydrophobicContact CE1-CG1 3.96Å; F198-I383 HydrophobicContact CZ-CD1 4.24Å; F198-I383 HydrophobicContact CZ-CG1 3.81Å; F198-M386 HydrophobicContact CD1-CE 3.9Å; F198-M386 HydrophobicContact CD2-CE 4.09Å; F198-M386 HydrophobicContact CD2-SD 3.8Å; F198-M386 HydrophobicContact CE1-CE 3.81Å; F198-M386 HydrophobicContact CE2-CE 4.01Å; F198-M386 HydrophobicContact CE2-SD 3.65Å; F198-M386 HydrophobicContact CG-CE 4.04Å; F198-M386 HydrophobicContact CG-SD 4.32Å; F198-M386 HydrophobicContact CZ-CE 3.88Å; F198-M386 HydrophobicContact CZ-SD 4.04Å
199	L	98.8	Very high	98.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.9	-44.6	175.5	-67.1	176.5	0	0	0	112.2	A195 G196 M201 M202 F203 Y210 V212 L216 E217 M220 M373	A195-L199 WeakPolarHBondContact O-CG 3.24Å; A195-L199 PolarHBondContact O-N 3.36Å; G196-L199 PolarHBondContact O-N 2.79Å; L199-M201 VanDerWaalsContact C-N 3.35Å; L199-M201 PolarHBondContact O-N 3.4Å; L199-M202 PolarHBondContact O-N 3.12Å; L199-F203 HydrophobicContact CD2-CD2 4.28Å; L199-F203 HydrophobicContact CD2-CE2 3.84Å; L199-F203 WeakPolarHBondContact O-CD2 3.09Å; L199-F203 PolarHBondContact O-N 2.98Å; L199-Y210 HydrophobicContact CB-CE1 4.33Å; L199-V212 HydrophobicContact CD1-CG1 4.15Å; L199-L216 HydrophobicContact CD1-CB 4.37Å; L199-E217 HydrophobicContact CD1-CB 4.45Å; L199-M220 HydrophobicContact CD1-CB 4.28Å; L199-M220 HydrophobicContact CD2-CB 4.4Å; L199-M220 HydrophobicContact CD2-CE 4.03Å; L199-M220 HydrophobicContact CD2-CG 4.37Å; L199-M220 HydrophobicContact CG-CB 4.41Å; L199-M220 HydrophobicContact CG-CG 4.41Å; L199-M373 HydrophobicContact CD1-CE 4.12Å; L199-M373 HydrophobicContact CD2-CE 3.3Å; L199-M373 HydrophobicContact CG-CE 4.35Å
200	N	98.9	Very high	98.6	Very high	9 Å²	9	46.5 Å²	46.5	5%	0.048	26%	0.262	C	S	.	.	H	α-helix	trans	-58.9	-45.7	174.7	175.4	76.5	0	0	0	111.6	L192 G196 N197 F198 M202 F203 S204 Y210	L192-N200 HydrophobicContact CD1-CB 3.65Å; G196-N200 WeakPolarHBondContact O-CB 3.25Å; G196-N200 PolarHBondContact O-N 2.94Å; N197-N200 PolarHBondContact O-N 3.32Å; F198-N200 PolarHBondContact O-N 3.39Å; N200-M202 VanDerWaalsContact C-N 3.3Å; N200-M202 PolarHBondContact O-N 3.48Å; N200-F203 PolarHBondContact O-N 3.43Å; N200-S204 WeakPolarHBondContact O-CB 3.33Å; N200-S204 PolarHBondContact O-N 2.97Å; N200-S204 PolarHBondContact O-OG 3.1Å; N200-S204 WeakPolarHBondContact OD1-CB 3.42Å; N200-Y210 HydrophobicContact CB-CD1 4.14Å
201	M	98.9	Very high	98.6	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-65.8	-32.2	178.2	-70.1	-174.9	-60.7	0	0	113	P170 T171 A174 K178 V186 P188 N197 F198 L199	P170-M201 HydrophobicContact CB-CE 4.15Å; T171-M201 HydrophobicContact CG2-SD 4.41Å; A174-M201 HydrophobicContact CB-CB 3.52Å; K178-M201 VanDerWaalsContact CE-O 3.28Å; K178-M201 WeakPolarHBondContact CE-O 3.29Å; V186-M201 HydrophobicContact CB-CB 4.46Å; V186-M201 HydrophobicContact CG1-CG 4.25Å; P188-M201 HydrophobicContact CB-SD 4.14Å; P188-M201 HydrophobicContact CG-SD 3.8Å; N197-M201 WeakPolarHBondContact ND2-CE 3.3Å; N197-M201 WeakPolarHBondContact O-CB 3.49Å; N197-M201 VanDerWaalsContact O-CG 3.31Å; N197-M201 WeakPolarHBondContact O-CG 3.44Å; N197-M201 PolarHBondContact O-N 2.95Å; F198-M201 PolarHBondContact O-N 3.05Å; L199-M201 VanDerWaalsContact C-N 3.35Å; L199-M201 PolarHBondContact O-N 3.4Å
202	M	98.8	Very high	98.6	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70.6	-49.6	175.3	-73.3	-75.8	-71	0	0	111.6	A174 Y177 K178 F198 L199 N200 I375 M379	A174-M202 HydrophobicContact CB-CG 4.18Å; A174-M202 HydrophobicContact CB-SD 4.12Å; Y177-M202 WeakPolarHBondContact CB-SD 3.39Å; Y177-M202 HydrophobicContact CD1-CB 4.18Å; Y177-M202 HydrophobicContact CD1-CE 3.47Å; Y177-M202 VanDerWaalsContact CD1-CE 3.47Å; Y177-M202 WeakPolarHBondContact CD1-O 3.1Å; Y177-M202 HydrophobicContact CD1-SD 3.55Å; Y177-M202 VanDerWaalsContact CD1-SD 3.55Å; Y177-M202 HydrophobicContact CD2-CE 4.06Å; Y177-M202 HydrophobicContact CE1-CB 4.43Å; Y177-M202 HydrophobicContact CE1-CE 4.01Å; Y177-M202 WeakPolarHBondContact CE1-O 3.32Å; Y177-M202 HydrophobicContact CE1-SD 4.49Å; Y177-M202 HydrophobicContact CG-CE 3.48Å; Y177-M202 VanDerWaalsContact CG-CE 3.48Å; Y177-M202 HydrophobicContact CG-SD 3.72Å; K178-M202 WeakPolarHBondContact CE-O 3.25Å; K178-M202 PolarHBondContact NZ-O 3.38Å; F198-M202 HydrophobicContact CD1-CG 4.43Å; F198-M202 HydrophobicContact CD2-CG 4.26Å; F198-M202 HydrophobicContact CE1-CG 4.01Å; F198-M202 HydrophobicContact CE2-CG 3.82Å; F198-M202 HydrophobicContact CE2-SD 4.03Å; F198-M202 HydrophobicContact CZ-CE 4.49Å; F198-M202 HydrophobicContact CZ-CG 3.68Å; F198-M202 HydrophobicContact CZ-SD 3.81Å; F198-M202 VanDerWaalsContact O-CG 3.29Å; F198-M202 WeakPolarHBondContact O-CG 3.36Å; F198-M202 PolarHBondContact O-N 3.29Å; L199-M202 PolarHBondContact O-N 3.12Å; N200-M202 VanDerWaalsContact C-N 3.3Å; N200-M202 PolarHBondContact O-N 3.48Å; M202-I375 HydrophobicContact CE-CG1 4.44Å; M202-I375 HydrophobicContact CE-CG2 4.37Å; M202-M379 HydrophobicContact CE-CE 4.08Å; M202-M379 HydrophobicContact SD-CE 4.05Å
203	F	98.7	Very high	98.5	Very high	44 Å²	44	47.1 Å²	47.1	19%	0.193	26%	0.261	C	S	.	.	H	α-helix	trans	-110.6	-27.6	-161.9	-61	-60.6	0	0	0	115.7	Y177 L199 N200 Y210 M373 I375	Y177-F203 HydrophobicContact CE1-CD1 4.25Å; Y177-F203 HydrophobicContact CE1-CE1 4.24Å; L199-F203 HydrophobicContact CD2-CD2 4.28Å; L199-F203 HydrophobicContact CD2-CE2 3.84Å; L199-F203 WeakPolarHBondContact O-CD2 3.09Å; L199-F203 PolarHBondContact O-N 2.98Å; N200-F203 PolarHBondContact O-N 3.43Å; F203-Y210 HydrophobicContact CB-CD2 4.23Å; F203-Y210 HydrophobicContact CB-CE2 3.67Å; F203-M373 WeakPolarHBondContact CZ-O 3.48Å; F203-I375 HydrophobicContact CE1-CG1 4.44Å; F203-I375 HydrophobicContact CE2-CG1 4.33Å; F203-I375 HydrophobicContact CZ-CD1 4.27Å; F203-I375 HydrophobicContact CZ-CG1 3.55Å
204	S	98.6	Very high	98.5	Very high	12 Å²	12	49.5 Å²	49.5	8%	0.084	28%	0.276	C	S	.	.			trans	-60.9	150.8	-178.8	70.6	0	0	0	0	112	K178 V186 N200 Y210	K178-S204 WeakPolarHBondContact CE-O 3.43Å; K178-S204 PolarHBondContact NZ-O 3.34Å; V186-S204 VanDerWaalsContact CG1-OG 3.32Å; V186-S204 WeakPolarHBondContact CG1-OG 3.5Å; V186-S204 WeakPolarHBondContact CG2-OG 3.47Å; N200-S204 WeakPolarHBondContact O-CB 3.33Å; N200-S204 PolarHBondContact O-N 2.97Å; N200-S204 PolarHBondContact O-OG 3.1Å; N200-S204 WeakPolarHBondContact OD1-CB 3.42Å; S204-Y210 VanDerWaalsContact CB-CB 3.41Å
205	T	98.5	Very high	98.5	Very high	41 Å²	41	50.4 Å²	50.4	25%	0.252	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-132.7	161	173.7	73.7	0	0	0	0	109.2	C207 E208	T205-C207 PolarHBondContact O-N 2.92Å; T205-C207 VanDerWaalsContact O-N 3.11Å; T205-C207 WeakPolarHBondContact OG1-CB 3.41Å; T205-C207 PolarHBondContact OG1-N 2.91Å; T205-E208 VanDerWaalsContact O-O 3.05Å
206	P	98.4	Very high	98.4	Very high	111 Å²	111	51.2 Å²	51.2	72%	0.721	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-8.3	173.5	-22.7	34.8	0	0	0	114.5	P184	P184-P206 HydrophobicContact CG-CG 3.94Å
207	C	98.2	Very high	98.4	Very high	119 Å²	119	53.7 Å²	53.7	80%	0.804	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-29.3	-174.2	-59.6	0	0	0	0	112.9	T205	T205-C207 PolarHBondContact O-N 2.92Å; T205-C207 VanDerWaalsContact O-N 3.11Å; T205-C207 WeakPolarHBondContact OG1-CB 3.41Å; T205-C207 PolarHBondContact OG1-N 2.91Å
208	E	97.7	Very high	98.4	Very high	143 Å²	143	58.7 Å²	58.7	67%	0.668	32%	0.315	S	S	*	.	B	Isolated β-bridge	trans	-158.9	154.8	179.5	63.2	-170.5	174.1	0	0	111.5	T205 Y210	T205-E208 VanDerWaalsContact O-O 3.05Å; E208-Y210 PolarHBondContact O-N 3.31Å
209	P	97.6	Very high	98.4	Very high	121 Å²	121	58.7 Å²	58.7	79%	0.786	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-60.1	134.5	171.2	-20.5	33.2	0	0	0	111.3
210	Y	98.5	Very high	98.4	Very high	67 Å²	67	58.7 Å²	58.7	26%	0.263	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-92.5	121.6	173.2	-179.6	-102.8	0	0	0	110.2	L199 N200 F203 S204 E208 V212	L199-Y210 HydrophobicContact CB-CE1 4.33Å; N200-Y210 HydrophobicContact CB-CD1 4.14Å; F203-Y210 HydrophobicContact CB-CD2 4.23Å; F203-Y210 HydrophobicContact CB-CE2 3.67Å; S204-Y210 VanDerWaalsContact CB-CB 3.41Å; E208-Y210 PolarHBondContact O-N 3.31Å; Y210-V212 HydrophobicContact CD1-CG2 4.11Å; Y210-V212 HydrophobicContact CE1-CG2 3.94Å
211	E	98.3	Very high	98.4	Very high	175 Å²	175	59.4 Å²	59.4	82%	0.818	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-93.6	120.5	172.8	-66	-175.6	179.1	0	0	109.4	N213	E211-N213 PolarHBondContact O-N 3.46Å
212	V	98.5	Very high	98.4	Very high	29 Å²	29	60.3 Å²	60.3	18%	0.176	32%	0.323	C	S	.	.			trans	-75	115.6	178	-174.3	0	0	0	0	108.4	L199 Y210 P214 E217	L199-V212 HydrophobicContact CD1-CG1 4.15Å; Y210-V212 HydrophobicContact CD1-CG2 4.11Å; Y210-V212 HydrophobicContact CE1-CG2 3.94Å; V212-P214 WeakPolarHBondContact O-CD 3.37Å; V212-E217 HydrophobicContact CG1-CB 3.79Å; V212-E217 HydrophobicContact CG1-CG 4.26Å
213	N	98.2	Very high	98.3	Very high	42 Å²	42	60.5 Å²	60.5	23%	0.225	32%	0.324	C	S	.	.			trans	-66.9	122.7	173.4	-178.6	-49.9	0	0	0	109.6	E211 I215 L216 E217 E329	E211-N213 PolarHBondContact O-N 3.46Å; N213-I215 VanDerWaalsContact C-N 3.27Å; N213-I215 PolarHBondContact O-N 3.39Å; N213-I215 WeakPolarHBondContact OD1-CB 3.33Å; N213-I215 PolarHBondContact OD1-N 2.91Å; N213-L216 HydrophobicContact CB-CB 4.17Å; N213-L216 HydrophobicContact CB-CD1 4.01Å; N213-L216 HydrophobicContact CB-CG 3.85Å; N213-L216 PolarHBondContact O-N 3.46Å; N213-L216 VanDerWaalsContact O-N 3.1Å; N213-L216 PolarHBondContact OD1-N 3.04Å; N213-E217 PolarHBondContact O-N 3.22Å; N213-E329 PolarHBondContact ND2-OE1 2.94Å
214	P	98.3	Very high	98.3	Very high	94 Å²	94	58.4 Å²	58.4	61%	0.61	31%	0.314	S	S	*	.	H	α-helix	trans	-59.3	-31.8	-176.1	-26.7	35.4	0	0	0	114.9	V212 R218	V212-P214 WeakPolarHBondContact O-CD 3.37Å; P214-R218 WeakPolarHBondContact O-CB 3.37Å; P214-R218 PolarHBondContact O-N 3.35Å
215	I	97.8	Very high	98.3	Very high	40 Å²	40	57.8 Å²	57.8	21%	0.205	31%	0.31	C	S	.	.	H	α-helix	trans	-71.9	-40.5	178.3	-69.8	165.9	0	0	0	110.1	N213 R218 A219 E325 V326 E329	N213-I215 VanDerWaalsContact C-N 3.27Å; N213-I215 PolarHBondContact O-N 3.39Å; N213-I215 WeakPolarHBondContact OD1-CB 3.33Å; N213-I215 PolarHBondContact OD1-N 2.91Å; I215-R218 PolarHBondContact O-N 2.94Å; I215-A219 WeakPolarHBondContact O-CB 3.41Å; I215-A219 PolarHBondContact O-N 3.27Å; I215-E325 HydrophobicContact CG2-CB 4.41Å; I215-V326 HydrophobicContact CG2-CG2 4.42Å; I215-E329 HydrophobicContact CB-CB 4.4Å; I215-E329 HydrophobicContact CB-CG 4.07Å; I215-E329 HydrophobicContact CD1-CB 3.91Å; I215-E329 VanDerWaalsContact CD1-CD 3.47Å; I215-E329 HydrophobicContact CD1-CG 3.72Å; I215-E329 WeakPolarHBondContact CD1-OE2 3.43Å; I215-E329 HydrophobicContact CG1-CG 4.47Å; I215-E329 HydrophobicContact CG2-CB 3.99Å; I215-E329 HydrophobicContact CG2-CG 4.19Å
216	L	98	Very high	98.3	Very high	18 Å²	18	55.9 Å²	55.9	9%	0.094	30%	0.299	C	S	.	.	H	α-helix	trans	-69.8	-36.2	176.3	-57.3	-170.2	0	0	0	112.1	L199 N213 A219 M220 V326 L330 M373	L199-L216 HydrophobicContact CD1-CB 4.37Å; N213-L216 HydrophobicContact CB-CB 4.17Å; N213-L216 HydrophobicContact CB-CD1 4.01Å; N213-L216 HydrophobicContact CB-CG 3.85Å; N213-L216 PolarHBondContact O-N 3.46Å; N213-L216 VanDerWaalsContact O-N 3.1Å; N213-L216 PolarHBondContact OD1-N 3.04Å; L216-A219 PolarHBondContact O-N 2.86Å; L216-M220 WeakPolarHBondContact O-CB 3.33Å; L216-M220 PolarHBondContact O-N 3Å; L216-V326 HydrophobicContact CD2-CG1 3.84Å; L216-V326 HydrophobicContact CD2-CG2 4.22Å; L216-L330 HydrophobicContact CD1-CD2 4.18Å; L216-L330 HydrophobicContact CD2-CD1 4.26Å; L216-L330 HydrophobicContact CD2-CD2 4.28Å; L216-L330 HydrophobicContact CD2-CG 4.28Å; L216-M373 HydrophobicContact CB-CE 4.05Å; L216-M373 HydrophobicContact CD2-CG 4.1Å
217	E	98.7	Very high	98.3	Very high	51 Å²	51	50.8 Å²	50.8	24%	0.238	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-49.8	172.9	-177.2	172.7	-158.7	0	0	111.2	S193 A195 G196 L199 V212 N213 A219 M220 D221	S193-E217 VanDerWaalsContact CB-OE1 3.24Å; S193-E217 WeakPolarHBondContact CB-OE1 3.39Å; S193-E217 PolarHBondContact OG-OE1 3.35Å; A195-E217 HydrophobicContact CB-CG 4.25Å; G196-E217 WeakPolarHBondContact CA-OE1 3.5Å; L199-E217 HydrophobicContact CD1-CB 4.45Å; V212-E217 HydrophobicContact CG1-CB 3.79Å; V212-E217 HydrophobicContact CG1-CG 4.26Å; N213-E217 PolarHBondContact O-N 3.22Å; E217-A219 VanDerWaalsContact C-N 3.33Å; E217-A219 PolarHBondContact O-N 3.26Å; E217-M220 PolarHBondContact O-N 3.42Å; E217-D221 PolarHBondContact O-N 3.25Å
218	R	98.4	Very high	98.3	Very high	114 Å²	114	45.1 Å²	45.1	43%	0.43	23%	0.227	S	C	.	.	H	α-helix	trans	-61.4	-41.4	176.2	-177.7	174	63.9	-170.9	-0.8	112	P214 I215 D221 R222 E325	P214-R218 WeakPolarHBondContact O-CB 3.37Å; P214-R218 PolarHBondContact O-N 3.35Å; I215-R218 PolarHBondContact O-N 2.94Å; R218-D221 PolarHBondContact O-N 3.48Å; R218-R222 WeakPolarHBondContact O-CG 3.3Å; R218-R222 PolarHBondContact O-N 2.83Å; R218-E325 IonicContact CZ-OE2 3.68Å; R218-E325 VanDerWaalsContact CZ-OE2 3.32Å; R218-E325 IonicContact NE-OE2 2.93Å; R218-E325 PolarHBondContact NE-OE2 2.88Å; R218-E325 IonicContact NH2-OE1 3.86Å; R218-E325 IonicContact NH2-OE2 2.72Å; R218-E325 PolarHBondContact NH2-OE2 2.94Å
219	A	98.2	Very high	98.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-63.2	-43.5	177.5	0	0	0	0	0	112.2	I215 L216 E217 R222 I223 T322 V326 I369	I215-A219 WeakPolarHBondContact O-CB 3.41Å; I215-A219 PolarHBondContact O-N 3.27Å; L216-A219 PolarHBondContact O-N 2.86Å; E217-A219 VanDerWaalsContact C-N 3.33Å; E217-A219 PolarHBondContact O-N 3.26Å; A219-R222 PolarHBondContact O-N 2.82Å; A219-I223 WeakPolarHBondContact O-CG1 3.29Å; A219-I223 PolarHBondContact O-N 2.91Å; A219-T322 HydrophobicContact CB-CG2 3.5Å; A219-T322 VanDerWaalsContact CB-CG2 3.5Å; A219-V326 HydrophobicContact CB-CG2 3.36Å; A219-I369 HydrophobicContact CB-CG2 4.25Å
220	M	98.7	Very high	98.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-45.9	174.1	-179.1	57.3	57.3	0	0	111	A195 F198 L199 L216 E217 R222 I223 L224 L370 M373 I375 I383	A195-M220 HydrophobicContact CB-CB 4.2Å; A195-M220 HydrophobicContact CB-CG 4.07Å; F198-M220 HydrophobicContact CD1-CE 4.35Å; F198-M220 HydrophobicContact CD1-CG 4.15Å; F198-M220 HydrophobicContact CD1-SD 3.88Å; F198-M220 HydrophobicContact CE1-CE 4.16Å; F198-M220 HydrophobicContact CE1-SD 3.98Å; L199-M220 HydrophobicContact CD1-CB 4.28Å; L199-M220 HydrophobicContact CD2-CB 4.4Å; L199-M220 HydrophobicContact CD2-CE 4.03Å; L199-M220 HydrophobicContact CD2-CG 4.37Å; L199-M220 HydrophobicContact CG-CB 4.41Å; L199-M220 HydrophobicContact CG-CG 4.41Å; L216-M220 WeakPolarHBondContact O-CB 3.33Å; L216-M220 PolarHBondContact O-N 3Å; E217-M220 PolarHBondContact O-N 3.42Å; M220-R222 VanDerWaalsContact C-N 3.33Å; M220-R222 PolarHBondContact O-N 3.15Å; M220-I223 WeakPolarHBondContact O-CB 3.39Å; M220-I223 PolarHBondContact O-N 3.31Å; M220-I223 VanDerWaalsContact O-N 3.1Å; M220-L224 WeakPolarHBondContact O-CG 3.45Å; M220-L224 PolarHBondContact O-N 2.81Å; M220-L224 HydrophobicContact SD-CD2 4.33Å; M220-L224 HydrophobicContact SD-CG 4.46Å; M220-L370 HydrophobicContact CE-CD2 3.79Å; M220-M373 HydrophobicContact CB-CE 4.38Å; M220-M373 HydrophobicContact CE-CE 3.88Å; M220-M373 HydrophobicContact CE-SD 4.32Å; M220-I375 HydrophobicContact CE-CD1 3.77Å; M220-I383 HydrophobicContact CE-CD1 4.47Å; M220-I383 HydrophobicContact SD-CG2 4.22Å
221	D	98.8	Very high	98.3	Very high	23 Å²	23	32.9 Å²	32.9	12%	0.123	16%	0.162	C	C	.	.	H	α-helix	trans	-58.3	-44	178.2	-162.5	74.7	0	0	0	112.1	N82 Y83 A195 E217 R218 I223 L224 I225	N82-D221 WeakPolarHBondContact CA-OD2 3.35Å; Y83-D221 VanDerWaalsContact CB-OD1 3.26Å; Y83-D221 WeakPolarHBondContact CB-OD1 3.38Å; Y83-D221 PolarHBondContact N-OD1 3.23Å; Y83-D221 PolarHBondContact N-OD2 3.28Å; A195-D221 HydrophobicContact CB-CB 3.86Å; E217-D221 PolarHBondContact O-N 3.25Å; R218-D221 PolarHBondContact O-N 3.48Å; D221-I223 PolarHBondContact O-N 3.16Å; D221-L224 WeakPolarHBondContact O-CB 3.44Å; D221-L224 PolarHBondContact O-N 3.33Å; D221-L224 VanDerWaalsContact O-N 3.12Å; D221-I225 WeakPolarHBondContact O-CG1 3.47Å; D221-I225 PolarHBondContact O-N 3.44Å
222	R	98.6	Very high	98.3	Very high	22 Å²	22	26.9 Å²	26.9	8%	0.083	13%	0.133	C	C	.	.	H	α-helix	trans	-61.9	-40.9	173.2	-74.7	-177.6	169.4	167.6	-0.4	113.1	A78 R218 A219 M220 L224 I225 L226 T322 E325	A78-R222 WeakPolarHBondContact O-CG 3.27Å; A78-R222 PolarHBondContact O-NE 3.34Å; R218-R222 WeakPolarHBondContact O-CG 3.3Å; R218-R222 PolarHBondContact O-N 2.83Å; A219-R222 PolarHBondContact O-N 2.82Å; M220-R222 VanDerWaalsContact C-N 3.33Å; M220-R222 PolarHBondContact O-N 3.15Å; R222-L224 VanDerWaalsContact C-N 3.27Å; R222-L224 PolarHBondContact O-N 2.89Å; R222-I225 PolarHBondContact O-N 3.26Å; R222-L226 WeakPolarHBondContact O-CB 3.5Å; R222-L226 VanDerWaalsContact O-CG 3.25Å; R222-L226 WeakPolarHBondContact O-CG 3.27Å; R222-L226 PolarHBondContact O-N 2.97Å; R222-T322 WeakPolarHBondContact CD-OG1 3.43Å; R222-T322 PolarHBondContact NH1-OG1 2.95Å; R222-E325 IonicContact NH1-OE1 3.99Å; R222-E325 IonicContact NH1-OE2 3.97Å
223	I	98.2	Very high	98.2	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.015	13%	0.131	C	C	.	.	H	α-helix	trans	-57.1	-43.8	172.7	-74.2	170.9	0	0	0	110.5	A219 M220 D221 H227 M319 I369 L370 I383	A219-I223 WeakPolarHBondContact O-CG1 3.29Å; A219-I223 PolarHBondContact O-N 2.91Å; M220-I223 WeakPolarHBondContact O-CB 3.39Å; M220-I223 PolarHBondContact O-N 3.31Å; M220-I223 VanDerWaalsContact O-N 3.1Å; D221-I223 PolarHBondContact O-N 3.16Å; I223-H227 PolarHBondContact O-N 3.41Å; I223-H227 PolarHBondContact O-ND1 3.41Å; I223-M319 HydrophobicContact CB-CE 4.49Å; I223-M319 HydrophobicContact CG1-CE 3.91Å; I223-M319 HydrophobicContact CG1-SD 3.76Å; I223-I369 HydrophobicContact CD1-CB 4.15Å; I223-I369 HydrophobicContact CD1-CG2 3.66Å; I223-L370 HydrophobicContact CD1-CD2 3.74Å; I223-L370 HydrophobicContact CD1-CG 4.02Å; I223-I383 HydrophobicContact CG2-CG2 4.1Å
224	L	98.7	Very high	98	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.6	-45.3	178.8	-57	178.1	0	0	0	111.8	Y83 Y194 M220 D221 R222 H227 A228 I383 M386 A387	Y83-L224 HydrophobicContact CD1-CB 4.06Å; Y83-L224 HydrophobicContact CD1-CD1 3.87Å; Y83-L224 VanDerWaalsContact CD2-C 3.44Å; Y83-L224 HydrophobicContact CD2-CB 3.32Å; Y83-L224 HydrophobicContact CE1-CB 4.34Å; Y83-L224 HydrophobicContact CE1-CD1 4.28Å; Y83-L224 HydrophobicContact CE2-CB 3.65Å; Y83-L224 WeakPolarHBondContact CE2-O 3.48Å; Y83-L224 HydrophobicContact CG-CB 3.53Å; Y83-L224 HydrophobicContact CG-CD1 4.05Å; Y83-L224 HydrophobicContact CG-CG 4.44Å; Y194-L224 HydrophobicContact CD1-CD1 3.67Å; Y194-L224 HydrophobicContact CE1-CD1 3.84Å; M220-L224 WeakPolarHBondContact O-CG 3.45Å; M220-L224 PolarHBondContact O-N 2.81Å; M220-L224 HydrophobicContact SD-CD2 4.33Å; M220-L224 HydrophobicContact SD-CG 4.46Å; D221-L224 WeakPolarHBondContact O-CB 3.44Å; D221-L224 PolarHBondContact O-N 3.33Å; D221-L224 VanDerWaalsContact O-N 3.12Å; R222-L224 VanDerWaalsContact C-N 3.27Å; R222-L224 PolarHBondContact O-N 2.89Å; L224-H227 PolarHBondContact O-N 2.98Å; L224-A228 PolarHBondContact O-N 2.9Å; L224-I383 HydrophobicContact CD2-CG2 4.33Å; L224-M386 HydrophobicContact CD1-CE 4.48Å; L224-M386 HydrophobicContact CD2-CE 3.31Å; L224-A387 HydrophobicContact CB-CB 4.32Å; L224-A387 HydrophobicContact CD2-CB 3.86Å
225	I	98.8	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.5	-51	177.8	-67	165.7	0	0	0	111.1	I74 L77 A78 Y83 V86 D221 R222 H227 A228	I74-I225 HydrophobicContact CD1-CG2 4.2Å; L77-I225 HydrophobicContact CB-CG2 4.37Å; A78-I225 HydrophobicContact CB-CG2 4.07Å; Y83-I225 HydrophobicContact CD2-CG1 4.33Å; V86-I225 HydrophobicContact CG2-CD1 4.47Å; V86-I225 HydrophobicContact CG2-CG1 4.09Å; V86-I225 HydrophobicContact CG2-CG2 4.06Å; D221-I225 WeakPolarHBondContact O-CG1 3.47Å; D221-I225 PolarHBondContact O-N 3.44Å; R222-I225 PolarHBondContact O-N 3.26Å; I225-H227 PolarHBondContact O-N 2.85Å; I225-A228 VanDerWaalsContact O-CB 3.3Å; I225-A228 WeakPolarHBondContact O-CB 3.48Å; I225-A228 PolarHBondContact O-N 2.93Å; I225-A228 VanDerWaalsContact O-N 3.07Å
226	L	98.1	Very high	98.1	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-68.6	-8.9	-174.7	-67	170.6	0	0	0	113.5	I74 A78 R222 R315 V318 M319 V362	I74-L226 HydrophobicContact CD1-CD2 4.1Å; I74-L226 HydrophobicContact CG1-CD2 3.7Å; A78-L226 HydrophobicContact CB-CD1 4.41Å; A78-L226 HydrophobicContact CB-CD2 3.67Å; A78-L226 HydrophobicContact CB-CG 4.01Å; R222-L226 WeakPolarHBondContact O-CB 3.5Å; R222-L226 VanDerWaalsContact O-CG 3.25Å; R222-L226 WeakPolarHBondContact O-CG 3.27Å; R222-L226 PolarHBondContact O-N 2.97Å; L226-R315 HydrophobicContact CD2-CB 3.96Å; L226-R315 HydrophobicContact CD2-CG 4.26Å; L226-R315 VanDerWaalsContact O-CD 3.3Å; L226-R315 WeakPolarHBondContact O-CD 2.96Å; L226-V318 HydrophobicContact CD1-CB 4.31Å; L226-V318 HydrophobicContact CD1-CG1 4.47Å; L226-M319 HydrophobicContact CB-CE 3.75Å; L226-M319 HydrophobicContact CD1-CB 4.11Å; L226-M319 HydrophobicContact CD1-CE 3.27Å; L226-M319 HydrophobicContact CD1-SD 4.04Å; L226-M319 HydrophobicContact CG-CE 4.1Å; L226-V362 HydrophobicContact CB-CG2 4.41Å
227	H	97.8	Very high	98	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.019	11%	0.112	C	C	.	.	H	α-helix	trans	-116.5	1.3	176	-66.9	87.3	0	0	0	113.7	I223 L224 I225 D229 D363 F384 A387 R388	I223-H227 PolarHBondContact O-N 3.41Å; I223-H227 PolarHBondContact O-ND1 3.41Å; L224-H227 PolarHBondContact O-N 2.98Å; I225-H227 PolarHBondContact O-N 2.85Å; H227-D229 PolarHBondContact O-N 3.48Å; H227-D363 IonicContact NE2-OD1 2.75Å; H227-F384 HydrophobicContact CB-CD2 3.66Å; H227-F384 HydrophobicContact CB-CE2 3.83Å; H227-F384 AromaticContact CD2-CD2 3.47Å; H227-F384 VanDerWaalsContact CD2-CD2 3.47Å; H227-F384 WeakPolarHBondContact CD2-CD2 3.5Å; H227-F384 AromaticContact CD2-CE2 3.5Å; H227-F384 VanDerWaalsContact CD2-CE2 3.5Å; H227-F384 WeakPolarHBondContact CD2-CE2 3.45Å; H227-F384 AromaticContact CD2-CG 3.79Å; H227-F384 AromaticContact CD2-CZ 3.8Å; H227-F384 AromaticContact CG-CD2 3.85Å; H227-A387 HydrophobicContact CB-CB 3.73Å; H227-R388 WeakPolarHBondContact O-CA 3.29Å; H227-R388 PolarHBondContact O-NE 3.42Å; H227-R388 PolarHBondContact O-NH2 3.22Å
228	A	98.7	Very high	98	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-57.9	-44.1	-172	0	0	0	0	0	113.4	Y83 V86 L90 L224 I225 R388 V390 G391	Y83-A228 HydrophobicContact CE2-CB 4.06Å; V86-A228 HydrophobicContact CG1-CB 4.19Å; L90-A228 HydrophobicContact CD1-CB 3.79Å; L224-A228 PolarHBondContact O-N 2.9Å; I225-A228 VanDerWaalsContact O-CB 3.3Å; I225-A228 WeakPolarHBondContact O-CB 3.48Å; I225-A228 PolarHBondContact O-N 2.93Å; I225-A228 VanDerWaalsContact O-N 3.07Å; A228-R388 WeakPolarHBondContact O-CA 3.37Å; A228-V390 HydrophobicContact CB-CG1 3.93Å; A228-G391 WeakPolarHBondContact O-CA 3.28Å; A228-G391 PolarHBondContact O-N 3.23Å; A228-G391 VanDerWaalsContact O-N 3.07Å
229	D	98.7	Very high	98.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.093	C	C	.	.			trans	-149.6	160	173	-172.3	58.6	0	0	0	112	T58 H69 L90 H227 E231 G391 H395	T58-D229 WeakPolarHBondContact CB-OD2 3.29Å; T58-D229 PolarHBondContact OG1-OD2 2.89Å; H69-D229 PolarHBondContact CE1-O 2.93Å; L90-D229 HydrophobicContact CD1-CB 4.2Å; L90-D229 HydrophobicContact CD2-CB 4.16Å; H227-D229 PolarHBondContact O-N 3.48Å; D229-E231 PolarHBondContact OD2-N 3.45Å; D229-G391 WeakPolarHBondContact OD1-CA 3.26Å; D229-H395 IonicContact OD1-CD2 3.59Å; D229-H395 PolarHBondContact OD1-CD2 3.31Å; D229-H395 VanDerWaalsContact OD1-CD2 3.24Å; D229-H395 IonicContact OD1-NE2 2.89Å; D229-H395 PolarHBondContact OD1-NE2 2.72Å; D229-H395 IonicContact OD2-NE2 3.68Å; D229-H395 PolarHBondContact OD2-NE2 2.91Å
230	H	97.8	Very high	98.1	Very high	15 Å²	15	16.7 Å²	16.7	7%	0.069	10%	0.095	C	C	.	.			trans	-155	49.3	173.8	-159.9	-81.8	0	0	0	111.6	I60 N233 H306 Y309 R315 R388	I60-H230 VanDerWaalsContact CD1-CE1 3.44Å; I60-H230 WeakPolarHBondContact CD1-CE1 3.17Å; H230-N233 PolarHBondContact O-ND2 3.41Å; H230-H306 AromaticContact CE1-CE1 3.72Å; H230-Y309 AromaticContact CE1-CE2 3.97Å; H230-Y309 AromaticContact NE2-CE2 3.33Å; H230-Y309 VanDerWaalsContact NE2-CE2 3.33Å; H230-Y309 WeakPolarHBondContact NE2-CE2 3.49Å; H230-Y309 AromaticContact NE2-CZ 3.53Å; H230-Y309 PolarHBondContact NE2-OH 3.44Å; H230-R315 PolarHBondContact CD2-NH1 3.22Å; H230-R388 VanDerWaalsContact CB-NH2 3.31Å
231	E	98.2	Very high	98.1	Very high	59 Å²	59	20.2 Å²	20.2	28%	0.276	12%	0.117	S	C	.	.	S	Bend	trans	56.4	-144.5	172.5	-155.2	-147.6	83.6	0	0	113.7	T58 I60 D229 N233 T236	T58-E231 HydrophobicContact CG2-CB 4.02Å; I60-E231 HydrophobicContact CD1-CB 3.75Å; I60-E231 HydrophobicContact CG1-CB 4.26Å; I60-E231 PolarHBondContact N-OE2 2.9Å; D229-E231 PolarHBondContact OD2-N 3.45Å; E231-N233 VanDerWaalsContact C-N 3.26Å; E231-N233 PolarHBondContact O-N 2.98Å; E231-N233 PolarHBondContact O-ND2 3.02Å; E231-T236 WeakPolarHBondContact O-CB 3.36Å; E231-T236 WeakPolarHBondContact O-CG2 3.39Å; E231-T236 PolarHBondContact O-OG1 2.86Å
232	Q	97.4	Very high	98	Very high	48 Å²	48	20.4 Å²	20.4	22%	0.224	12%	0.121	C	C	.	.	S	Bend	trans	-86.2	50.9	-169.6	-52.7	-41.5	-56.7	0	0	113.3	H395	Q232-H395 PolarHBondContact NE2-CE1 3.41Å
233	N	95.4	Very high	98	Very high	23 Å²	23	19.3 Å²	19.3	12%	0.123	12%	0.117	C	C	.	.			trans	-76.3	169.3	174.1	65.7	70.2	0	0	0	112.7	H230 E231 S235 T236 S237 H265 R388	H230-N233 PolarHBondContact O-ND2 3.41Å; E231-N233 VanDerWaalsContact C-N 3.26Å; E231-N233 PolarHBondContact O-N 2.98Å; E231-N233 PolarHBondContact O-ND2 3.02Å; N233-S235 VanDerWaalsContact C-N 3.32Å; N233-S235 PolarHBondContact O-N 3.44Å; N233-S235 VanDerWaalsContact O-N 3.16Å; N233-S235 PolarHBondContact OD1-N 3.49Å; N233-S235 PolarHBondContact OD1-OG 2.96Å; N233-T236 PolarHBondContact ND2-OG1 2.93Å; N233-T236 WeakPolarHBondContact O-CB 3.44Å; N233-T236 PolarHBondContact O-N 3.43Å; N233-T236 PolarHBondContact OD1-N 3.16Å; N233-T236 PolarHBondContact OD1-OG1 3.37Å; N233-S237 PolarHBondContact O-N 2.73Å; N233-S237 PolarHBondContact O-OG 3.41Å; N233-H265 PolarHBondContact OD1-CE1 2.76Å; N233-H265 PolarHBondContact OD1-NE2 3.42Å; N233-H265 VanDerWaalsContact OD1-NE2 3.08Å; N233-R388 PolarHBondContact ND2-NH1 3.37Å
234	A	95.6	Very high	98	Very high	54 Å²	54	20 Å²	20	45%	0.446	12%	0.122	S	C	.	.	H	α-helix	trans	-53.8	-40.4	-171.9	0	0	0	0	0	114.7	T238 S259	A234-T238 WeakPolarHBondContact O-CB 3Å; A234-T238 PolarHBondContact O-N 2.9Å; A234-T238 PolarHBondContact O-OG1 3.15Å; A234-S259 PolarHBondContact O-OG 3.07Å
235	S	97.9	Very high	97.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-74.3	-38.7	178.6	58.4	0	0	0	0	112	N233 T238 V239 G256 S259 H265 W392	N233-S235 VanDerWaalsContact C-N 3.32Å; N233-S235 PolarHBondContact O-N 3.44Å; N233-S235 VanDerWaalsContact O-N 3.16Å; N233-S235 PolarHBondContact OD1-N 3.49Å; N233-S235 PolarHBondContact OD1-OG 2.96Å; S235-T238 WeakPolarHBondContact O-CB 3.45Å; S235-T238 PolarHBondContact O-N 2.65Å; S235-V239 WeakPolarHBondContact O-CG2 3.42Å; S235-V239 PolarHBondContact O-N 2.96Å; S235-G256 WeakPolarHBondContact CB-O 3.32Å; S235-S259 WeakPolarHBondContact CA-OG 3.45Å; S235-H265 PolarHBondContact N-NE2 2.97Å; S235-H265 PolarHBondContact OG-NE2 3.2Å; S235-W392 WeakPolarHBondContact OG-CZ2 3.31Å; S235-W392 PolarHBondContact OG-NE1 3.48Å
236	T	98.6	Very high	97.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.9	-45.5	171	-60.6	0	0	0	0	111.7	E231 N233 T238 V239 R240 H395	E231-T236 WeakPolarHBondContact O-CB 3.36Å; E231-T236 WeakPolarHBondContact O-CG2 3.39Å; E231-T236 PolarHBondContact O-OG1 2.86Å; N233-T236 PolarHBondContact ND2-OG1 2.93Å; N233-T236 WeakPolarHBondContact O-CB 3.44Å; N233-T236 PolarHBondContact O-N 3.43Å; N233-T236 PolarHBondContact OD1-N 3.16Å; N233-T236 PolarHBondContact OD1-OG1 3.37Å; T236-T238 VanDerWaalsContact C-N 3.26Å; T236-T238 PolarHBondContact O-N 3.47Å; T236-V239 PolarHBondContact O-N 3.25Å; T236-R240 PolarHBondContact O-N 3.17Å; T236-H395 HydrophobicContact CG2-CB 3.82Å; T236-H395 WeakPolarHBondContact CG2-CD2 3.49Å
237	S	98	Very high	97.8	Very high	42 Å²	42	27.1 Å²	27.1	29%	0.294	18%	0.181	S	C	.	.	H	α-helix	trans	-61.7	-35.8	175.9	-53.9	0	0	0	0	112	N233 T241	N233-S237 PolarHBondContact O-N 2.73Å; N233-S237 PolarHBondContact O-OG 3.41Å; S237-T241 VanDerWaalsContact O-CB 3.28Å; S237-T241 WeakPolarHBondContact O-CB 3.49Å; S237-T241 PolarHBondContact O-N 3.19Å; S237-T241 PolarHBondContact O-OG1 2.92Å
238	T	98.6	Very high	97.8	Very high	45 Å²	45	28.7 Å²	28.7	28%	0.276	19%	0.189	S	C	.	.	H	α-helix	trans	-62.6	-48.9	174	-58.5	0	0	0	0	110.8	A234 S235 T236 T241 A242 A255 S259	A234-T238 WeakPolarHBondContact O-CB 3Å; A234-T238 PolarHBondContact O-N 2.9Å; A234-T238 PolarHBondContact O-OG1 3.15Å; S235-T238 WeakPolarHBondContact O-CB 3.45Å; S235-T238 PolarHBondContact O-N 2.65Å; T236-T238 VanDerWaalsContact C-N 3.26Å; T236-T238 PolarHBondContact O-N 3.47Å; T238-T241 PolarHBondContact O-N 2.84Å; T238-A242 WeakPolarHBondContact O-CB 3.32Å; T238-A242 PolarHBondContact O-N 2.87Å; T238-A255 HydrophobicContact CG2-CB 3.86Å; T238-S259 WeakPolarHBondContact OG1-CB 3.28Å; T238-S259 PolarHBondContact OG1-OG 3.06Å
239	V	98.8	Very high	97.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60	-46.8	177.7	171.1	0	0	0	0	111.1	S235 T236 G243 C252 W392 W396	S235-V239 WeakPolarHBondContact O-CG2 3.42Å; S235-V239 PolarHBondContact O-N 2.96Å; T236-V239 PolarHBondContact O-N 3.25Å; V239-G243 PolarHBondContact O-N 3.03Å; V239-C252 HydrophobicContact CG1-CB 4.34Å; V239-C252 WeakPolarHBondContact CG2-O 3.42Å; V239-W392 HydrophobicContact CG1-CB 4.22Å; V239-W392 HydrophobicContact CG2-CB 4.05Å; V239-W392 HydrophobicContact CG2-CD2 4.17Å; V239-W392 HydrophobicContact CG2-CG 3.76Å; V239-W396 HydrophobicContact CG1-CB 3.96Å
240	R	98.5	Very high	97.8	Very high	11 Å²	11	29 Å²	29	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-61.9	-44.3	176.6	-74.3	-175	177.8	-90.4	12.3	111.9	S55 T236 G243 S244 H395 E398	S55-R240 PolarHBondContact OG-NH2 2.93Å; T236-R240 PolarHBondContact O-N 3.17Å; R240-G243 PolarHBondContact O-N 3.47Å; R240-S244 WeakPolarHBondContact O-CB 3.35Å; R240-S244 PolarHBondContact O-N 3.08Å; R240-H395 HydrophobicContact CG-CB 4.43Å; R240-H395 PolarHBondContact NH1-O 3.47Å; R240-H395 PolarHBondContact NH2-ND1 2.96Å; R240-E398 IonicContact CZ-OE2 2.68Å; R240-E398 IonicContact NH1-OE2 2.59Å; R240-E398 IonicContact NH2-OE2 2.9Å; R240-E398 PolarHBondContact NH2-OE2 2.99Å
241	T	98.3	Very high	97.8	Very high	75 Å²	75	30 Å²	30	46%	0.46	20%	0.202	S	C	.	.	H	α-helix	trans	-64.7	-49.5	-179.2	-59.8	0	0	0	0	111.2	S237 T238 S244 A407	S237-T241 VanDerWaalsContact O-CB 3.28Å; S237-T241 WeakPolarHBondContact O-CB 3.49Å; S237-T241 PolarHBondContact O-N 3.19Å; S237-T241 PolarHBondContact O-OG1 2.92Å; T238-T241 PolarHBondContact O-N 2.84Å; T241-S244 PolarHBondContact O-N 2.92Å; T241-S244 PolarHBondContact O-OG 3.01Å; T241-A407 HydrophobicContact CG2-CB 4.24Å
242	A	98.5	Very high	97.9	Very high	26 Å²	26	27.1 Å²	27.1	22%	0.215	19%	0.189	C	C	.	.	H	α-helix	trans	-61.7	-44.3	176.5	0	0	0	0	0	111.7	T238 S244 S245 A247	T238-A242 WeakPolarHBondContact O-CB 3.32Å; T238-A242 PolarHBondContact O-N 2.87Å; A242-S244 VanDerWaalsContact C-N 3.3Å; A242-S244 PolarHBondContact O-N 3.35Å; A242-S245 PolarHBondContact O-N 2.84Å; A242-S245 PolarHBondContact O-OG 3.46Å; A242-A247 VanDerWaalsContact O-CB 3.3Å; A242-A247 WeakPolarHBondContact O-CB 3.41Å
243	G	98.2	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.2	-37.9	177.1	0	0	0	0	0	112.8	V239 R240 S245 G246 C252 H400	V239-G243 PolarHBondContact O-N 3.03Å; R240-G243 PolarHBondContact O-N 3.47Å; G243-S245 PolarHBondContact O-N 2.9Å; G243-S245 VanDerWaalsContact O-N 3.12Å; G243-G246 WeakPolarHBondContact O-CA 3.27Å; G243-G246 PolarHBondContact O-N 3.33Å; G243-C252 VanDerWaalsContact CA-SG 3.53Å; G243-C252 PolarHBondContact N-SG 3.24Å; G243-H400 PolarHBondContact O-CE1 3.41Å; G243-H400 VanDerWaalsContact O-CE1 3.3Å
244	S	97.4	Very high	98.1	Very high	16 Å²	16	24.5 Å²	24.5	11%	0.112	18%	0.178	C	C	.	.	H	α-helix	trans	-64.1	-18.4	-178.2	79.7	0	0	0	0	114.2	R240 T241 A242 G246 A407	R240-S244 WeakPolarHBondContact O-CB 3.35Å; R240-S244 PolarHBondContact O-N 3.08Å; T241-S244 PolarHBondContact O-N 2.92Å; T241-S244 PolarHBondContact O-OG 3.01Å; A242-S244 VanDerWaalsContact C-N 3.3Å; A242-S244 PolarHBondContact O-N 3.35Å; S244-G246 VanDerWaalsContact C-N 3.29Å; S244-A407 WeakPolarHBondContact OG-CB 3.47Å; S244-A407 PolarHBondContact OG-N 3.28Å
245	S	97.4	Very high	98.3	Very high	80 Å²	80	23.5 Å²	23.5	56%	0.559	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	0.5	172.6	77	0	0	0	0	113.3	A242 G243	A242-S245 PolarHBondContact O-N 2.84Å; A242-S245 PolarHBondContact O-OG 3.46Å; G243-S245 PolarHBondContact O-N 2.9Å; G243-S245 VanDerWaalsContact O-N 3.12Å
246	G	96.2	Very high	98.3	Very high	43 Å²	43	23.5 Å²	23.5	44%	0.443	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	16.5	-174.5	0	0	0	0	0	114.3	G243 S244	G243-G246 WeakPolarHBondContact O-CA 3.27Å; G243-G246 PolarHBondContact O-N 3.33Å; S244-G246 VanDerWaalsContact C-N 3.29Å
247	A	98.2	Very high	98.3	Very high	29 Å²	29	23.5 Å²	23.5	24%	0.24	17%	0.169	C	C	.	.			trans	-61.8	143.1	174.5	0	0	0	0	0	110.6	A242 C252	A242-A247 VanDerWaalsContact O-CB 3.3Å; A242-A247 WeakPolarHBondContact O-CB 3.41Å; A247-C252 PolarHBondContact O-SG 2.94Å; A247-C252 VanDerWaalsContact O-SG 3.38Å
248	N	98.2	Very high	98.3	Very high	36 Å²	36	24 Å²	24	19%	0.193	18%	0.176	C	C	.	.			trans	-61.5	151.9	-179.1	74.1	77.2	0	0	0	111.5	L150 F250 A251 C252	L150-N248 HydrophobicContact CB-CB 4.14Å; L150-N248 HydrophobicContact CD2-CB 3.78Å; L150-N248 HydrophobicContact CG-CB 4.41Å; N248-F250 VanDerWaalsContact C-N 3.3Å; N248-F250 PolarHBondContact O-N 2.78Å; N248-F250 WeakPolarHBondContact OD1-CB 3.49Å; N248-F250 PolarHBondContact OD1-N 3.19Å; N248-A251 PolarHBondContact O-N 3.15Å; N248-A251 PolarHBondContact OD1-N 3.43Å; N248-C252 PolarHBondContact O-N 3.14Å; N248-C252 PolarHBondContact O-SG 3.45Å
249	P	98.3	Very high	98.2	Very high	5 Å²	5	23.3 Å²	23.3	3%	0.032	17%	0.173	C	C	.	.	H	α-helix	trans	-58.3	-37.9	-173.8	17.3	-30.7	0	0	0	113.6	A161 L165 C252 I253 W396	A161-P249 HydrophobicContact CB-CB 3.99Å; A161-P249 HydrophobicContact CB-CG 3.33Å; L165-P249 HydrophobicContact CD1-CB 4.31Å; P249-C252 WeakPolarHBondContact O-CB 3.33Å; P249-C252 PolarHBondContact O-N 3.38Å; P249-I253 WeakPolarHBondContact O-CG1 3.49Å; P249-I253 PolarHBondContact O-N 3.15Å; P249-W396 HydrophobicContact CB-CH2 3.74Å; P249-W396 HydrophobicContact CB-CZ2 3.75Å; P249-W396 HydrophobicContact CB-CZ3 4.22Å; P249-W396 HydrophobicContact CG-CH2 3.99Å; P249-W396 HydrophobicContact CG-CZ2 4.14Å
250	F	98.7	Very high	98.1	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-65.3	-42.3	179.8	-49.3	-69.8	0	0	0	112.1	L142 A143 Y146 L150 A161 R164 L165 N248 C252 I253 A254	L142-F250 HydrophobicContact CB-CB 3.85Å; L142-F250 HydrophobicContact CB-CD1 3.87Å; L142-F250 HydrophobicContact CB-CD2 4.34Å; L142-F250 HydrophobicContact CB-CG 3.76Å; L142-F250 HydrophobicContact CD1-CB 4.48Å; L142-F250 HydrophobicContact CD1-CD1 3.75Å; L142-F250 HydrophobicContact CD1-CE1 4.41Å; L142-F250 HydrophobicContact CD1-CG 4.38Å; L142-F250 HydrophobicContact CG-CD1 4.49Å; A143-F250 HydrophobicContact CB-CD2 4.32Å; Y146-F250 HydrophobicContact CD2-CZ 4.44Å; Y146-F250 HydrophobicContact CG-CZ 4.39Å; L150-F250 HydrophobicContact CD2-CD2 3.67Å; L150-F250 HydrophobicContact CD2-CE2 3.63Å; A161-F250 HydrophobicContact CB-CE1 4.49Å; A161-F250 HydrophobicContact CB-CZ 4.13Å; R164-F250 HydrophobicContact CB-CE1 4.25Å; L165-F250 HydrophobicContact CD1-CD1 4.29Å; L165-F250 HydrophobicContact CD2-CD1 3.84Å; L165-F250 HydrophobicContact CD2-CE1 4.44Å; L165-F250 HydrophobicContact CG-CD1 3.9Å; L165-F250 HydrophobicContact CG-CE1 4.07Å; N248-F250 VanDerWaalsContact C-N 3.3Å; N248-F250 PolarHBondContact O-N 2.78Å; N248-F250 WeakPolarHBondContact OD1-CB 3.49Å; N248-F250 PolarHBondContact OD1-N 3.19Å; F250-C252 VanDerWaalsContact C-N 3.33Å; F250-I253 PolarHBondContact O-N 3.49Å; F250-A254 WeakPolarHBondContact O-CB 3.33Å; F250-A254 PolarHBondContact O-N 3.15Å
251	A	98.8	Very high	97.9	Very high	36 Å²	36	27.3 Å²	27.3	30%	0.298	19%	0.188	S	C	.	.	H	α-helix	trans	-65	-37.2	174.3	0	0	0	0	0	111.9	N248 A254 A255	N248-A251 PolarHBondContact O-N 3.15Å; N248-A251 PolarHBondContact OD1-N 3.43Å; A251-A254 PolarHBondContact O-N 2.66Å; A251-A255 PolarHBondContact O-N 3.25Å
252	C	98.8	Very high	97.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.5	-47.2	174.9	-62.9	0	0	0	0	111.4	V239 G243 A247 N248 P249 F250 A255 G256	V239-C252 HydrophobicContact CG1-CB 4.34Å; V239-C252 WeakPolarHBondContact CG2-O 3.42Å; G243-C252 VanDerWaalsContact CA-SG 3.53Å; G243-C252 PolarHBondContact N-SG 3.24Å; A247-C252 PolarHBondContact O-SG 2.94Å; A247-C252 VanDerWaalsContact O-SG 3.38Å; N248-C252 PolarHBondContact O-N 3.14Å; N248-C252 PolarHBondContact O-SG 3.45Å; P249-C252 WeakPolarHBondContact O-CB 3.33Å; P249-C252 PolarHBondContact O-N 3.38Å; F250-C252 VanDerWaalsContact C-N 3.33Å; C252-A255 WeakPolarHBondContact O-CB 3.3Å; C252-A255 PolarHBondContact O-N 2.96Å; C252-G256 PolarHBondContact O-N 3.08Å
253	I	98.8	Very high	96.3	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.015	20%	0.204	C	C	.	.	H	α-helix	trans	-63.6	-42.6	175.6	-62.2	-49.1	0	0	0	111.1	T139 L165 P249 F250 A255 G256 I257 T389 W392 I393	T139-I253 HydrophobicContact CG2-CB 4.4Å; T139-I253 HydrophobicContact CG2-CG2 4.11Å; L165-I253 HydrophobicContact CD1-CG1 3.58Å; L165-I253 HydrophobicContact CD2-CB 4.08Å; L165-I253 HydrophobicContact CD2-CG1 3.93Å; L165-I253 HydrophobicContact CD2-CG2 4.15Å; L165-I253 HydrophobicContact CG-CG1 4.35Å; P249-I253 WeakPolarHBondContact O-CG1 3.49Å; P249-I253 PolarHBondContact O-N 3.15Å; F250-I253 PolarHBondContact O-N 3.49Å; I253-A255 VanDerWaalsContact C-N 3.26Å; I253-A255 PolarHBondContact O-N 3.42Å; I253-G256 CarbonylContact O-C 3.54Å; I253-G256 WeakPolarHBondContact O-CA 3.42Å; I253-G256 PolarHBondContact O-N 2.93Å; I253-I257 HydrophobicContact CG2-CD1 4.06Å; I253-I257 HydrophobicContact CG2-CG1 4.25Å; I253-I257 VanDerWaalsContact O-CG1 3.32Å; I253-I257 WeakPolarHBondContact O-CG1 3.39Å; I253-I257 PolarHBondContact O-N 3.32Å; I253-T389 HydrophobicContact CG2-CG2 4.2Å; I253-W392 HydrophobicContact CD1-CB 3.5Å; I253-W392 VanDerWaalsContact CD1-CB 3.5Å; I253-W392 HydrophobicContact CD1-CE3 4.24Å; I253-W392 HydrophobicContact CD1-CG 4.4Å; I253-W392 HydrophobicContact CG2-CE3 4.06Å; I253-W392 HydrophobicContact CG2-CZ3 4.32Å; I253-I393 HydrophobicContact CD1-CG1 4.18Å
254	A	98.8	Very high	95.1	Very high	13 Å²	13	34.3 Å²	34.3	11%	0.107	25%	0.246	C	C	.	.	H	α-helix	trans	-57.6	-39.4	175.7	0	0	0	0	0	112.4	T139 F250 A251 I257 A258	T139-A254 HydrophobicContact CG2-CB 4.07Å; F250-A254 WeakPolarHBondContact O-CB 3.33Å; F250-A254 PolarHBondContact O-N 3.15Å; A251-A254 PolarHBondContact O-N 2.66Å; A254-I257 PolarHBondContact O-N 3.39Å; A254-A258 WeakPolarHBondContact O-CB 3.21Å; A254-A258 PolarHBondContact O-N 3.05Å
255	A	98.8	Very high	94.2	Very high	32 Å²	32	35.9 Å²	35.9	26%	0.264	25%	0.252	S	S	.	.	H	α-helix	trans	-66.8	-38.2	173.3	0	0	0	0	0	112.3	T238 A251 C252 I253 A258 S259	T238-A255 HydrophobicContact CG2-CB 3.86Å; A251-A255 PolarHBondContact O-N 3.25Å; C252-A255 WeakPolarHBondContact O-CB 3.3Å; C252-A255 PolarHBondContact O-N 2.96Å; I253-A255 VanDerWaalsContact C-N 3.26Å; I253-A255 PolarHBondContact O-N 3.42Å; A255-A258 PolarHBondContact O-N 3.16Å; A255-S259 VanDerWaalsContact O-CB 3.27Å; A255-S259 WeakPolarHBondContact O-CB 3.26Å; A255-S259 PolarHBondContact O-N 2.87Å
256	G	98.6	Very high	93.1	Very high	0 Å²	0	32 Å²	32	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-45.6	171.2	0	0	0	0	0	112.8	S235 C252 I253 S259 L260 W392	S235-G256 WeakPolarHBondContact CB-O 3.32Å; C252-G256 PolarHBondContact O-N 3.08Å; I253-G256 CarbonylContact O-C 3.54Å; I253-G256 WeakPolarHBondContact O-CA 3.42Å; I253-G256 PolarHBondContact O-N 2.93Å; G256-S259 PolarHBondContact O-N 3Å; G256-L260 WeakPolarHBondContact O-CB 3.47Å; G256-L260 PolarHBondContact O-N 2.95Å; G256-W392 WeakPolarHBondContact O-CZ2 3.17Å
257	I	98.4	Very high	91.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-47.6	175.8	-61.5	170.2	0	0	0	110.4	M132 M135 C136 T139 M169 I253 A254 S259 L260 W261 A385 W392	M132-I257 HydrophobicContact CE-CG2 3.53Å; M132-I257 HydrophobicContact SD-CG2 4.35Å; M135-I257 HydrophobicContact CG-CD1 4.31Å; M135-I257 HydrophobicContact CG-CG2 4.46Å; C136-I257 VanDerWaalsContact SG-CG2 3.54Å; T139-I257 HydrophobicContact CG2-CD1 3.84Å; T139-I257 WeakPolarHBondContact OG1-CD1 3.39Å; M169-I257 HydrophobicContact CE-CD1 3.69Å; M169-I257 HydrophobicContact CE-CG1 4.39Å; M169-I257 HydrophobicContact SD-CD1 4.49Å; I253-I257 HydrophobicContact CG2-CD1 4.06Å; I253-I257 HydrophobicContact CG2-CG1 4.25Å; I253-I257 VanDerWaalsContact O-CG1 3.32Å; I253-I257 WeakPolarHBondContact O-CG1 3.39Å; I253-I257 PolarHBondContact O-N 3.32Å; A254-I257 PolarHBondContact O-N 3.39Å; I257-S259 VanDerWaalsContact C-N 3.32Å; I257-S259 PolarHBondContact O-N 2.81Å; I257-L260 PolarHBondContact O-N 3.01Å; I257-W261 PolarHBondContact O-N 2.73Å; I257-A385 HydrophobicContact CG1-CB 4.22Å; I257-A385 HydrophobicContact CG2-CB 4.28Å; I257-W392 HydrophobicContact CG1-CH2 4.09Å; I257-W392 HydrophobicContact CG1-CZ3 3.7Å
258	A	98	Very high	90.9	Very high	53 Å²	53	30.2 Å²	30.2	44%	0.438	21%	0.207	S	C	.	.	H	α-helix	trans	-62.7	-39.8	178.4	0	0	0	0	0	112.1	A254 A255 W261	A254-A258 WeakPolarHBondContact O-CB 3.21Å; A254-A258 PolarHBondContact O-N 3.05Å; A255-A258 PolarHBondContact O-N 3.16Å; A258-W261 PolarHBondContact O-N 2.99Å
259	S	97.1	Very high	89.8	Confident	30 Å²	30	28.6 Å²	28.6	21%	0.21	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-40.1	175.7	-173.9	0	0	0	0	112.1	A234 S235 T238 A255 G256 I257 W261 G262	A234-S259 PolarHBondContact O-OG 3.07Å; S235-S259 WeakPolarHBondContact CA-OG 3.45Å; T238-S259 WeakPolarHBondContact OG1-CB 3.28Å; T238-S259 PolarHBondContact OG1-OG 3.06Å; A255-S259 VanDerWaalsContact O-CB 3.27Å; A255-S259 WeakPolarHBondContact O-CB 3.26Å; A255-S259 PolarHBondContact O-N 2.87Å; G256-S259 PolarHBondContact O-N 3Å; I257-S259 VanDerWaalsContact C-N 3.32Å; I257-S259 PolarHBondContact O-N 2.81Å; S259-W261 VanDerWaalsContact C-N 3.33Å; S259-W261 PolarHBondContact O-N 3.33Å; S259-G262 PolarHBondContact O-N 3.07Å
260	L	95.7	Very high	89	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.5	-35	174.6	-171.5	66.5	0	0	0	112.1	G256 I257 G262 G266 T381 F384 A385 W392	G256-L260 WeakPolarHBondContact O-CB 3.47Å; G256-L260 PolarHBondContact O-N 2.95Å; I257-L260 PolarHBondContact O-N 3.01Å; L260-G262 PolarHBondContact O-N 3.28Å; L260-G266 WeakPolarHBondContact O-CA 3.46Å; L260-G266 PolarHBondContact O-N 3.06Å; L260-T381 HydrophobicContact CD2-CG2 4.34Å; L260-T381 HydrophobicContact CG-CG2 4.11Å; L260-F384 HydrophobicContact CD1-CD1 4.18Å; L260-F384 HydrophobicContact CD1-CE1 3.86Å; L260-F384 HydrophobicContact CD1-CZ 4.03Å; L260-F384 HydrophobicContact CD2-CB 4.35Å; L260-F384 HydrophobicContact CD2-CD1 4.21Å; L260-F384 HydrophobicContact CD2-CD2 4.17Å; L260-F384 HydrophobicContact CD2-CG 3.97Å; L260-A385 HydrophobicContact CD2-CB 3.86Å; L260-W392 HydrophobicContact CB-CH2 4.19Å; L260-W392 HydrophobicContact CB-CZ2 4.05Å; L260-W392 HydrophobicContact CD2-CH2 3.93Å; L260-W392 HydrophobicContact CD2-CZ2 4.09Å
261	W	94	Very high	88.2	Confident	95 Å²	95	30.7 Å²	30.7	36%	0.36	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-15.5	177.6	-162	18.8	0	0	0	113.8	H130 M132 A133 I257 A258 S259	H130-W261 HydrophobicContact CB-CH2 4.39Å; H130-W261 HydrophobicContact CB-CZ2 4.05Å; H130-W261 AromaticContact CE1-NE1 3.94Å; H130-W261 AromaticContact CG-CZ2 3.82Å; H130-W261 AromaticContact ND1-CZ2 3.7Å; M132-W261 HydrophobicContact CB-CD2 3.59Å; M132-W261 HydrophobicContact CB-CE3 4.13Å; M132-W261 HydrophobicContact CB-CG 3.81Å; M132-W261 HydrophobicContact CB-CZ2 4.12Å; M132-W261 HydrophobicContact CE-CB 3.52Å; M132-W261 HydrophobicContact CE-CG 3.82Å; M132-W261 HydrophobicContact CG-CD2 4.36Å; M132-W261 HydrophobicContact CG-CG 4.08Å; A133-W261 HydrophobicContact CB-CH2 3.73Å; A133-W261 HydrophobicContact CB-CZ3 3.88Å; I257-W261 PolarHBondContact O-N 2.73Å; A258-W261 PolarHBondContact O-N 2.99Å; S259-W261 VanDerWaalsContact C-N 3.33Å; S259-W261 PolarHBondContact O-N 3.33Å
262	G	87.5	Confident	87.5	Confident	25 Å²	25	29.1 Å²	29.1	26%	0.258	20%	0.198	S	C	.	.	S	Bend	trans	-52.9	132.8	172.8	0	0	0	0	0	110.8	S259 L260 A264 H265 G266	S259-G262 PolarHBondContact O-N 3.07Å; L260-G262 PolarHBondContact O-N 3.28Å; G262-A264 PolarHBondContact O-N 3.24Å; G262-A264 VanDerWaalsContact O-N 3.08Å; G262-H265 PolarHBondContact O-N 2.9Å; G262-G266 PolarHBondContact O-N 3.35Å
263	P	76.5	Confident	86.7	Confident	117 Å²	117	29.2 Å²	29.2	76%	0.76	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.2	-171.6	23.1	-34.2	0	0	0	113.3	H265	P263-H265 VanDerWaalsContact C-N 3.31Å
264	A	73.2	Confident	86.1	Confident	106 Å²	106	34 Å²	34	88%	0.876	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	2.1	177	0	0	0	0	0	114.3	G262	G262-A264 PolarHBondContact O-N 3.24Å; G262-A264 VanDerWaalsContact O-N 3.08Å
265	H	77.9	Confident	85.6	Confident	49 Å²	49	33.6 Å²	33.6	23%	0.227	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-81.8	-178.1	-164.7	23	0	0	0	112.2	N233 S235 G262 P263	N233-H265 PolarHBondContact OD1-CE1 2.76Å; N233-H265 PolarHBondContact OD1-NE2 3.42Å; N233-H265 VanDerWaalsContact OD1-NE2 3.08Å; S235-H265 PolarHBondContact N-NE2 2.97Å; S235-H265 PolarHBondContact OG-NE2 3.2Å; G262-H265 PolarHBondContact O-N 2.9Å; P263-H265 VanDerWaalsContact C-N 3.31Å
266	G	74.1	Confident	85	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-0.4	-175	0	0	0	0	0	115.4	L260 G262 A268 N269 T381	L260-G266 WeakPolarHBondContact O-CA 3.46Å; L260-G266 PolarHBondContact O-N 3.06Å; G262-G266 PolarHBondContact O-N 3.35Å; G266-A268 PolarHBondContact O-N 3.25Å; G266-N269 PolarHBondContact O-OD1 3.15Å; G266-T381 WeakPolarHBondContact O-CG2 3.41Å; G266-T381 PolarHBondContact O-OG1 3.15Å
267	G	71.7	Confident	84.5	Confident	12 Å²	12	35.8 Å²	35.8	12%	0.124	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	0.7	175.2	0	0	0	0	0	114.4	N269 A271	G267-N269 PolarHBondContact O-N 3.44Å; G267-A271 WeakPolarHBondContact O-CB 3.35Å; G267-A271 PolarHBondContact O-N 2.98Å; G267-A271 VanDerWaalsContact O-N 3.08Å
268	A	76.2	Confident	84.1	Confident	21 Å²	21	40.8 Å²	40.8	17%	0.174	24%	0.244	C	C	.	.	H	α-helix	trans	-65.5	-35.6	-175.5	0	0	0	0	0	113	G266 A271 A272	G266-A268 PolarHBondContact O-N 3.25Å; A268-A271 PolarHBondContact O-N 3.1Å; A268-A272 WeakPolarHBondContact O-CB 3.28Å; A268-A272 PolarHBondContact O-N 2.91Å
269	N	77	Confident	83.7	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.011	22%	0.223	C	C	.	.	H	α-helix	trans	-68.1	-44.3	177.8	54.7	6.3	0	0	0	112.8	G266 G267 A271 A272 L273 D363 F380 T381	G266-N269 PolarHBondContact O-OD1 3.15Å; G267-N269 PolarHBondContact O-N 3.44Å; N269-A271 VanDerWaalsContact C-N 3.31Å; N269-A271 PolarHBondContact O-N 3.45Å; N269-A272 PolarHBondContact O-N 2.97Å; N269-L273 PolarHBondContact O-N 3Å; N269-L273 VanDerWaalsContact O-N 3.13Å; N269-D363 HydrophobicContact CB-CB 4.05Å; N269-F380 HydrophobicContact CB-CB 4.34Å; N269-F380 HydrophobicContact CB-CD2 4.33Å; N269-F380 WeakPolarHBondContact ND2-CB 3.27Å; N269-T381 PolarHBondContact OD1-OG1 2.85Å
270	E	80.8	Confident	83.1	Confident	26 Å²	26	39.4 Å²	39.4	12%	0.121	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-40.8	173.4	-175.5	-178	159.2	0	0	110.8	H130 L273 K274	H130-E270 IonicContact NE2-OE2 2.63Å; E270-L273 PolarHBondContact O-N 3.26Å; E270-K274 HydrophobicContact CG-CD 4.38Å; E270-K274 WeakPolarHBondContact O-CG 3.43Å; E270-K274 PolarHBondContact O-N 3.29Å; E270-K274 WeakPolarHBondContact OE1-CE 3.39Å; E270-K274 IonicContact OE1-NZ 3.21Å; E270-K274 PolarHBondContact OE1-NZ 2.75Å
271	A	81.8	Confident	82.8	Confident	25 Å²	25	40.8 Å²	40.8	21%	0.207	24%	0.241	C	C	.	.	H	α-helix	trans	-69.4	-36	178	0	0	0	0	0	113.1	G267 A268 N269 K274 M275 M302	G267-A271 WeakPolarHBondContact O-CB 3.35Å; G267-A271 PolarHBondContact O-N 2.98Å; G267-A271 VanDerWaalsContact O-N 3.08Å; A268-A271 PolarHBondContact O-N 3.1Å; N269-A271 VanDerWaalsContact C-N 3.31Å; N269-A271 PolarHBondContact O-N 3.45Å; A271-K274 PolarHBondContact O-N 2.47Å; A271-M275 WeakPolarHBondContact O-CB 3.45Å; A271-M275 PolarHBondContact O-N 3.12Å; A271-M302 HydrophobicContact CB-CB 4.01Å; A271-M302 HydrophobicContact CB-CE 3.38Å; A271-M302 HydrophobicContact CB-CG 3.86Å; A271-M302 HydrophobicContact CB-SD 4.45Å
272	A	82.9	Confident	82.6	Confident	2 Å²	2	38.6 Å²	38.6	2%	0.017	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-46.3	173.2	0	0	0	0	0	110.9	A268 N269 M275 L276 M302	A268-A272 WeakPolarHBondContact O-CB 3.28Å; A268-A272 PolarHBondContact O-N 2.91Å; N269-A272 PolarHBondContact O-N 2.97Å; A272-M275 WeakPolarHBondContact O-CB 3.24Å; A272-M275 PolarHBondContact O-N 3.16Å; A272-L276 WeakPolarHBondContact O-CG 3.34Å; A272-L276 PolarHBondContact O-N 2.89Å; A272-M302 HydrophobicContact CB-CB 4.31Å
273	L	83.4	Confident	82.8	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-67.4	-44.2	177	-167.9	80.9	0	0	0	112.4	N269 E270 M275 L276 E277 K371 F380	N269-L273 PolarHBondContact O-N 3Å; N269-L273 VanDerWaalsContact O-N 3.13Å; E270-L273 PolarHBondContact O-N 3.26Å; L273-M275 PolarHBondContact O-N 3.45Å; L273-L276 HydrophobicContact CD1-CD1 4.5Å; L273-L276 WeakPolarHBondContact O-CB 3.49Å; L273-L276 PolarHBondContact O-N 3.32Å; L273-E277 HydrophobicContact CG-CG 4.37Å; L273-E277 WeakPolarHBondContact O-CG 3.4Å; L273-E277 PolarHBondContact O-N 2.9Å; L273-K371 HydrophobicContact CD1-CB 3.86Å; L273-K371 HydrophobicContact CD1-CD 4.36Å; L273-K371 HydrophobicContact CD1-CG 3.96Å; L273-K371 HydrophobicContact CD2-CB 4.47Å; L273-K371 HydrophobicContact CD2-CD 4.02Å; L273-K371 HydrophobicContact CD2-CG 4.48Å; L273-F380 HydrophobicContact CB-CE2 3.96Å; L273-F380 HydrophobicContact CD2-CE2 3.83Å; L273-F380 HydrophobicContact CD2-CZ 3.89Å; L273-F380 HydrophobicContact CG-CE2 4.32Å
274	K	85.9	Confident	83.6	Confident	103 Å²	103	42.7 Å²	42.7	45%	0.448	24%	0.24	S	C	.	.	H	α-helix	trans	-57.6	-37.7	176.1	-77	177.4	-176.7	171.1	0	111.9	E270 A271 E277 E278	E270-K274 HydrophobicContact CG-CD 4.38Å; E270-K274 WeakPolarHBondContact O-CG 3.43Å; E270-K274 PolarHBondContact O-N 3.29Å; E270-K274 WeakPolarHBondContact OE1-CE 3.39Å; E270-K274 IonicContact OE1-NZ 3.21Å; E270-K274 PolarHBondContact OE1-NZ 2.75Å; A271-K274 PolarHBondContact O-N 2.47Å; K274-E277 PolarHBondContact O-N 3Å; K274-E278 WeakPolarHBondContact O-CB 3.38Å; K274-E278 PolarHBondContact O-N 3.2Å
275	M	88.5	Confident	84.5	Confident	5 Å²	5	37.7 Å²	37.7	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-64.3	-45.4	173.9	178.4	-165	70.4	0	0	111.5	A271 A272 L273 E277 E278 I279 F299 L301 M302 F304 L343	A271-M275 WeakPolarHBondContact O-CB 3.45Å; A271-M275 PolarHBondContact O-N 3.12Å; A272-M275 WeakPolarHBondContact O-CB 3.24Å; A272-M275 PolarHBondContact O-N 3.16Å; L273-M275 PolarHBondContact O-N 3.45Å; M275-E277 VanDerWaalsContact C-N 3.31Å; M275-E277 PolarHBondContact O-N 2.84Å; M275-E278 PolarHBondContact O-N 2.97Å; M275-I279 HydrophobicContact CG-CD1 3.99Å; M275-I279 VanDerWaalsContact O-CG1 3.24Å; M275-I279 WeakPolarHBondContact O-CG1 3.49Å; M275-I279 PolarHBondContact O-N 2.75Å; M275-F299 HydrophobicContact CG-CE2 4.03Å; M275-F299 HydrophobicContact CG-CZ 3.72Å; M275-F299 HydrophobicContact SD-CZ 3.99Å; M275-L301 HydrophobicContact CE-CD2 4.32Å; M275-L301 VanDerWaalsContact SD-CA 3.52Å; M275-L301 HydrophobicContact SD-CB 4.18Å; M275-L301 HydrophobicContact SD-CD2 3.57Å; M275-L301 VanDerWaalsContact SD-CD2 3.57Å; M275-L301 HydrophobicContact SD-CG 4.48Å; M275-M302 WeakPolarHBondContact CE-O 3.48Å; M275-M302 HydrophobicContact SD-CB 4.33Å; M275-M302 PolarHBondContact SD-N 3.38Å; M275-F304 HydrophobicContact CE-CD2 4.47Å; M275-F304 HydrophobicContact CE-CE2 3.98Å; M275-L343 HydrophobicContact CE-CD1 4.44Å
276	L	86.8	Confident	85.2	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-42.2	175	-65.8	173.2	0	0	0	111.5	A272 L273 I279 S280 L336 V339 A340 L343 F364 I368	A272-L276 WeakPolarHBondContact O-CG 3.34Å; A272-L276 PolarHBondContact O-N 2.89Å; L273-L276 HydrophobicContact CD1-CD1 4.5Å; L273-L276 WeakPolarHBondContact O-CB 3.49Å; L273-L276 PolarHBondContact O-N 3.32Å; L276-I279 PolarHBondContact O-N 2.83Å; L276-S280 PolarHBondContact O-N 2.94Å; L276-L336 HydrophobicContact CB-CD2 4.28Å; L276-L336 WeakPolarHBondContact O-CD2 3.4Å; L276-V339 HydrophobicContact CD2-CG1 3.92Å; L276-A340 HydrophobicContact CD1-CB 4.15Å; L276-A340 HydrophobicContact CD2-CB 4.1Å; L276-L343 HydrophobicContact CD2-CD1 3.41Å; L276-L343 VanDerWaalsContact CD2-CD1 3.41Å; L276-F364 HydrophobicContact CD1-CE2 4.43Å; L276-F364 HydrophobicContact CD2-CE2 4.24Å; L276-I368 HydrophobicContact CD1-CG1 4.2Å
277	E	86.9	Confident	86.1	Confident	74 Å²	74	43.6 Å²	43.6	35%	0.346	23%	0.233	S	C	.	.	H	α-helix	trans	-65.3	-36.5	175.7	-69.9	175.5	165.7	0	0	112.6	L273 K274 M275 S280 L336 K371	L273-E277 HydrophobicContact CG-CG 4.37Å; L273-E277 WeakPolarHBondContact O-CG 3.4Å; L273-E277 PolarHBondContact O-N 2.9Å; K274-E277 PolarHBondContact O-N 3Å; M275-E277 VanDerWaalsContact C-N 3.31Å; M275-E277 PolarHBondContact O-N 2.84Å; E277-S280 PolarHBondContact O-N 2.63Å; E277-L336 HydrophobicContact CB-CD2 4.41Å; E277-L336 HydrophobicContact CG-CD1 4.03Å; E277-L336 HydrophobicContact CG-CD2 3.98Å; E277-K371 IonicContact OE1-NZ 3.54Å; E277-K371 PolarHBondContact OE1-NZ 3.46Å
278	E	89.7	Confident	87.1	Confident	104 Å²	104	43.6 Å²	43.6	49%	0.486	23%	0.23	S	C	.	.	H	α-helix	trans	-68.6	-37.6	175	-164.8	-171	153	0	0	111.8	K274 M275 S280 F288 R291	K274-E278 WeakPolarHBondContact O-CB 3.38Å; K274-E278 PolarHBondContact O-N 3.2Å; M275-E278 PolarHBondContact O-N 2.97Å; E278-S280 VanDerWaalsContact C-N 3.3Å; E278-F288 HydrophobicContact CB-CE1 4.33Å; E278-F288 HydrophobicContact CB-CZ 4.37Å; E278-F288 HydrophobicContact CG-CE1 3.84Å; E278-F288 HydrophobicContact CG-CZ 3.81Å; E278-F288 WeakPolarHBondContact O-CZ 3.41Å; E278-F288 WeakPolarHBondContact OE1-CE1 3.38Å; E278-R291 IonicContact OE1-NH1 3.06Å; E278-R291 PolarHBondContact OE1-NH1 2.96Å
279	I	89.4	Confident	87.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.3	-35.4	175.4	-66.5	166.3	0	0	0	110.6	M275 L276 S281 H284 I285 F288 V339 L343	M275-I279 HydrophobicContact CG-CD1 3.99Å; M275-I279 VanDerWaalsContact O-CG1 3.24Å; M275-I279 WeakPolarHBondContact O-CG1 3.49Å; M275-I279 PolarHBondContact O-N 2.75Å; L276-I279 PolarHBondContact O-N 2.83Å; I279-S281 PolarHBondContact O-N 3.31Å; I279-H284 HydrophobicContact CG2-CB 4.33Å; I279-H284 VanDerWaalsContact O-CB 3.22Å; I279-H284 WeakPolarHBondContact O-CB 3.32Å; I279-H284 PolarHBondContact O-ND1 3.32Å; I279-I285 HydrophobicContact CG2-CG1 3.65Å; I279-F288 HydrophobicContact CB-CD2 4.25Å; I279-F288 HydrophobicContact CB-CE2 4.35Å; I279-F288 HydrophobicContact CD1-CB 4.12Å; I279-F288 HydrophobicContact CD1-CD1 4.46Å; I279-F288 HydrophobicContact CD1-CG 4.2Å; I279-F288 HydrophobicContact CG1-CB 3.92Å; I279-F288 HydrophobicContact CG1-CD1 3.74Å; I279-F288 HydrophobicContact CG1-CD2 3.63Å; I279-F288 HydrophobicContact CG1-CE1 4.06Å; I279-F288 HydrophobicContact CG1-CE2 3.99Å; I279-F288 HydrophobicContact CG1-CG 3.48Å; I279-F288 VanDerWaalsContact CG1-CG 3.48Å; I279-F288 HydrophobicContact CG1-CZ 4.18Å; I279-F288 HydrophobicContact CG2-CD2 4.35Å; I279-V339 HydrophobicContact CB-CG1 3.99Å; I279-V339 HydrophobicContact CG2-CG1 3.56Å; I279-V339 HydrophobicContact CG2-CG2 4.41Å; I279-L343 HydrophobicContact CD1-CD1 3.56Å; I279-L343 HydrophobicContact CD1-CD2 4.24Å; I279-L343 HydrophobicContact CD1-CG 4.45Å
280	S	85.4	Confident	88.6	Confident	54 Å²	54	50.7 Å²	50.7	38%	0.378	25%	0.254	S	S	.	.			trans	64.3	-44.7	174	80.5	0	0	0	0	117.1	L276 E277 E278 H284	L276-S280 PolarHBondContact O-N 2.94Å; E277-S280 PolarHBondContact O-N 2.63Å; E278-S280 VanDerWaalsContact C-N 3.3Å; S280-H284 PolarHBondContact OG-CE1 3.11Å; S280-H284 PolarHBondContact OG-ND1 2.94Å
281	S	89.8	Confident	89.1	Confident	29 Å²	29	52.3 Å²	52.3	20%	0.203	26%	0.259	C	S	.	.	S	Bend	trans	-149.8	160.8	-177.4	78.2	0	0	0	0	112.1	I279 E283 H284 V339	I279-S281 PolarHBondContact O-N 3.31Å; S281-E283 WeakPolarHBondContact CB-OE2 3.49Å; S281-E283 PolarHBondContact O-N 3.37Å; S281-E283 PolarHBondContact OG-OE2 3.16Å; S281-H284 PolarHBondContact O-N 3.07Å; S281-H284 VanDerWaalsContact O-N 3.15Å; S281-V339 VanDerWaalsContact CA-CG2 3.44Å
282	V	89.8	Confident	89.6	Confident	49 Å²	49	51.4 Å²	51.4	30%	0.297	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-59.3	-31.5	-175.7	173.6	0	0	0	0	111.7	H284 I285 E338 V339 E342	V282-H284 VanDerWaalsContact C-N 3.28Å; V282-H284 PolarHBondContact O-N 3.46Å; V282-I285 HydrophobicContact CB-CD1 4.31Å; V282-I285 HydrophobicContact CG1-CD1 4.22Å; V282-I285 HydrophobicContact CG2-CD1 4.37Å; V282-I285 WeakPolarHBondContact O-CB 3.19Å; V282-I285 PolarHBondContact O-N 2.81Å; V282-E338 HydrophobicContact CG2-CB 3.83Å; V282-V339 HydrophobicContact CG2-CG2 4.34Å; V282-E342 HydrophobicContact CG1-CB 4.4Å; V282-E342 HydrophobicContact CG1-CG 4.12Å
283	E	91.9	Very high	90	Very high	147 Å²	147	54.5 Å²	54.5	69%	0.687	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-65	-27.1	-179.8	-59.7	78.6	-170.1	0	0	113.7	S281 P286	S281-E283 WeakPolarHBondContact CB-OE2 3.49Å; S281-E283 PolarHBondContact O-N 3.37Å; S281-E283 PolarHBondContact OG-OE2 3.16Å; E283-P286 WeakPolarHBondContact O-CD 3.48Å
284	H	92.2	Very high	90.4	Very high	81 Å²	81	57.8 Å²	57.8	38%	0.375	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-86.3	-15.8	178.4	-64.4	144.7	0	0	0	113.1	I279 S280 S281 V282 P286 E287 F288	I279-H284 HydrophobicContact CG2-CB 4.33Å; I279-H284 VanDerWaalsContact O-CB 3.22Å; I279-H284 WeakPolarHBondContact O-CB 3.32Å; I279-H284 PolarHBondContact O-ND1 3.32Å; S280-H284 PolarHBondContact OG-CE1 3.11Å; S280-H284 PolarHBondContact OG-ND1 2.94Å; S281-H284 PolarHBondContact O-N 3.07Å; S281-H284 VanDerWaalsContact O-N 3.15Å; V282-H284 VanDerWaalsContact C-N 3.28Å; V282-H284 PolarHBondContact O-N 3.46Å; H284-P286 VanDerWaalsContact C-CD 3.44Å; H284-P286 VanDerWaalsContact C-N 3.34Å; H284-E287 WeakPolarHBondContact O-CB 3.4Å; H284-E287 PolarHBondContact O-N 3.19Å; H284-F288 HydrophobicContact CB-CD2 4.27Å; H284-F288 HydrophobicContact CB-CE2 4.2Å; H284-F288 WeakPolarHBondContact O-CD2 3.26Å; H284-F288 PolarHBondContact O-N 3.28Å
285	I	91.8	Very high	90.6	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-50.6	-45.4	-178.2	-68.5	173.4	0	0	0	113.1	I279 V282 E287 F288 V289 V339 E342 L343 I346	I279-I285 HydrophobicContact CG2-CG1 3.65Å; V282-I285 HydrophobicContact CB-CD1 4.31Å; V282-I285 HydrophobicContact CG1-CD1 4.22Å; V282-I285 HydrophobicContact CG2-CD1 4.37Å; V282-I285 WeakPolarHBondContact O-CB 3.19Å; V282-I285 PolarHBondContact O-N 2.81Å; I285-E287 PolarHBondContact O-N 3.33Å; I285-F288 PolarHBondContact O-N 3.43Å; I285-F288 VanDerWaalsContact O-N 3.13Å; I285-V289 HydrophobicContact CG2-CG2 3.83Å; I285-V289 WeakPolarHBondContact O-CB 3.47Å; I285-V289 VanDerWaalsContact O-CG2 3.29Å; I285-V289 WeakPolarHBondContact O-CG2 3.47Å; I285-V289 PolarHBondContact O-N 3.03Å; I285-V339 HydrophobicContact CD1-CG1 4.22Å; I285-V339 HydrophobicContact CG1-CG1 4.25Å; I285-E342 HydrophobicContact CD1-CB 3.52Å; I285-E342 HydrophobicContact CD1-CG 3.6Å; I285-L343 HydrophobicContact CD1-CG 4.21Å; I285-L343 HydrophobicContact CG1-CD2 4.37Å; I285-L343 HydrophobicContact CG1-CG 4.3Å; I285-L343 HydrophobicContact CG2-CD2 3.74Å; I285-L343 HydrophobicContact CG2-CG 4.37Å; I285-I346 HydrophobicContact CG2-CD1 3.23Å
286	P	92.4	Very high	90.7	Very high	86 Å²	86	68.4 Å²	68.4	56%	0.558	34%	0.335	S	S	*	.	H	α-helix	trans	-57.5	-33.8	178.7	-26.4	36.2	0	0	0	113.9	E283 H284 R290	E283-P286 WeakPolarHBondContact O-CD 3.48Å; H284-P286 VanDerWaalsContact C-CD 3.44Å; H284-P286 VanDerWaalsContact C-N 3.34Å; P286-R290 WeakPolarHBondContact O-CB 3.5Å; P286-R290 PolarHBondContact O-N 3.11Å; P286-R290 VanDerWaalsContact O-N 3.08Å
287	E	93.2	Very high	90.8	Very high	87 Å²	87	69.9 Å²	69.9	41%	0.407	34%	0.343	S	S	.	.	H	α-helix	trans	-66	-49.4	175.4	168.8	172.3	-172.5	0	0	111.2	H284 I285 R290 R291	H284-E287 WeakPolarHBondContact O-CB 3.4Å; H284-E287 PolarHBondContact O-N 3.19Å; I285-E287 PolarHBondContact O-N 3.33Å; E287-R290 WeakPolarHBondContact O-CB 3.18Å; E287-R290 PolarHBondContact O-N 3.41Å; E287-R291 WeakPolarHBondContact O-CG 3.26Å; E287-R291 PolarHBondContact O-N 3.27Å
288	F	92.4	Very high	90.9	Very high	12 Å²	12	71.6 Å²	71.6	5%	0.053	36%	0.363	C	S	.	.	H	α-helix	trans	-69.5	-34.4	-178.2	-76.8	-93.8	0	0	0	112.8	E278 I279 H284 I285 R290 R291 A292 F299	E278-F288 HydrophobicContact CB-CE1 4.33Å; E278-F288 HydrophobicContact CB-CZ 4.37Å; E278-F288 HydrophobicContact CG-CE1 3.84Å; E278-F288 HydrophobicContact CG-CZ 3.81Å; E278-F288 WeakPolarHBondContact O-CZ 3.41Å; E278-F288 WeakPolarHBondContact OE1-CE1 3.38Å; I279-F288 HydrophobicContact CB-CD2 4.25Å; I279-F288 HydrophobicContact CB-CE2 4.35Å; I279-F288 HydrophobicContact CD1-CB 4.12Å; I279-F288 HydrophobicContact CD1-CD1 4.46Å; I279-F288 HydrophobicContact CD1-CG 4.2Å; I279-F288 HydrophobicContact CG1-CB 3.92Å; I279-F288 HydrophobicContact CG1-CD1 3.74Å; I279-F288 HydrophobicContact CG1-CD2 3.63Å; I279-F288 HydrophobicContact CG1-CE1 4.06Å; I279-F288 HydrophobicContact CG1-CE2 3.99Å; I279-F288 HydrophobicContact CG1-CG 3.48Å; I279-F288 VanDerWaalsContact CG1-CG 3.48Å; I279-F288 HydrophobicContact CG1-CZ 4.18Å; I279-F288 HydrophobicContact CG2-CD2 4.35Å; H284-F288 HydrophobicContact CB-CD2 4.27Å; H284-F288 HydrophobicContact CB-CE2 4.2Å; H284-F288 WeakPolarHBondContact O-CD2 3.26Å; H284-F288 PolarHBondContact O-N 3.28Å; I285-F288 PolarHBondContact O-N 3.43Å; I285-F288 VanDerWaalsContact O-N 3.13Å; F288-R290 VanDerWaalsContact C-N 3.34Å; F288-R291 VanDerWaalsContact CE1-NH1 3.26Å; F288-R291 PolarHBondContact O-N 3.05Å; F288-A292 WeakPolarHBondContact O-CB 3.46Å; F288-A292 PolarHBondContact O-N 2.93Å; F288-F299 HydrophobicContact CB-CE1 4.12Å; F288-F299 HydrophobicContact CB-CZ 4.25Å; F288-F299 HydrophobicContact CD1-CD2 4.25Å; F288-F299 AromaticContact CD1-CE1 3.93Å; F288-F299 HydrophobicContact CD1-CE1 3.93Å; F288-F299 AromaticContact CD1-CE2 3.61Å; F288-F299 HydrophobicContact CD1-CE2 3.61Å; F288-F299 AromaticContact CD1-CZ 3.46Å; F288-F299 HydrophobicContact CD1-CZ 3.46Å; F288-F299 VanDerWaalsContact CD1-CZ 3.46Å; F288-F299 AromaticContact CE1-CE2 4Å; F288-F299 HydrophobicContact CE1-CE2 4Å; F288-F299 HydrophobicContact CE1-CZ 4.27Å; F288-F299 HydrophobicContact CG-CZ 4.33Å; F288-F299 WeakPolarHBondContact O-CE1 3.03Å
289	V	91.7	Very high	90.7	Very high	12 Å²	12	67.5 Å²	67.5	7%	0.073	34%	0.344	C	S	.	.	H	α-helix	trans	-61.6	-43.5	170.5	169.3	0	0	0	0	110.6	I285 A292 K293 L343 I346 F353	I285-V289 HydrophobicContact CG2-CG2 3.83Å; I285-V289 WeakPolarHBondContact O-CB 3.47Å; I285-V289 VanDerWaalsContact O-CG2 3.29Å; I285-V289 WeakPolarHBondContact O-CG2 3.47Å; I285-V289 PolarHBondContact O-N 3.03Å; V289-A292 PolarHBondContact O-N 2.75Å; V289-K293 HydrophobicContact CG1-CD 4.39Å; V289-K293 VanDerWaalsContact O-CG 3.31Å; V289-K293 WeakPolarHBondContact O-CG 3.44Å; V289-K293 PolarHBondContact O-N 2.9Å; V289-K293 VanDerWaalsContact O-N 3.16Å; V289-L343 HydrophobicContact CG2-CD2 4.42Å; V289-I346 HydrophobicContact CG1-CG2 4.35Å; V289-I346 HydrophobicContact CG2-CD1 4.11Å; V289-I346 HydrophobicContact CG2-CG2 3.95Å; V289-F353 HydrophobicContact CG1-CE2 3.78Å; V289-F353 HydrophobicContact CG1-CZ 4.03Å
290	R	93	Very high	90.4	Very high	161 Å²	161	73.5 Å²	73.5	61%	0.608	37%	0.366	S	S	*	.	H	α-helix	trans	-61.6	-44.7	174.5	-178.2	-176	64.7	-137.4	-3.9	111.6	P286 E287 F288 A292 K293 D294	P286-R290 WeakPolarHBondContact O-CB 3.5Å; P286-R290 PolarHBondContact O-N 3.11Å; P286-R290 VanDerWaalsContact O-N 3.08Å; E287-R290 WeakPolarHBondContact O-CB 3.18Å; E287-R290 PolarHBondContact O-N 3.41Å; F288-R290 VanDerWaalsContact C-N 3.34Å; R290-A292 PolarHBondContact O-N 3.11Å; R290-K293 PolarHBondContact O-N 3.09Å; R290-D294 PolarHBondContact O-N 3.23Å; R290-D294 VanDerWaalsContact O-N 3.16Å
291	R	93.3	Very high	90.3	Very high	60 Å²	60	71.7 Å²	71.7	23%	0.226	35%	0.353	C	S	.	.	H	α-helix	trans	-59.1	-44.7	175.6	-69.1	177.8	66.6	-163.2	-1.1	111.7	E278 E287 F288 K293 D294 D297 F299	E278-R291 IonicContact OE1-NH1 3.06Å; E278-R291 PolarHBondContact OE1-NH1 2.96Å; E287-R291 WeakPolarHBondContact O-CG 3.26Å; E287-R291 PolarHBondContact O-N 3.27Å; F288-R291 VanDerWaalsContact CE1-NH1 3.26Å; F288-R291 PolarHBondContact O-N 3.05Å; R291-K293 PolarHBondContact O-N 2.82Å; R291-D294 PolarHBondContact O-N 3.42Å; R291-D294 VanDerWaalsContact O-N 3.16Å; R291-D297 VanDerWaalsContact CB-OD2 3.29Å; R291-D297 WeakPolarHBondContact CB-OD2 3.43Å; R291-D297 VanDerWaalsContact CG-OD2 3.25Å; R291-D297 WeakPolarHBondContact CG-OD2 3.31Å; R291-D297 IonicContact NE-OD2 3.34Å; R291-D297 PolarHBondContact NE-OD2 3.23Å; R291-F299 HydrophobicContact CB-CB 4.09Å; R291-F299 HydrophobicContact CB-CD1 3.83Å; R291-F299 HydrophobicContact CB-CG 4.17Å
292	A	90.9	Very high	90.2	Very high	6 Å²	6	73.4 Å²	73.4	5%	0.05	36%	0.358	C	S	.	.	H	α-helix	trans	-66	-24.4	179.2	0	0	0	0	0	114	F288 V289 R290 F299 L301 Y352	F288-A292 WeakPolarHBondContact O-CB 3.46Å; F288-A292 PolarHBondContact O-N 2.93Å; V289-A292 PolarHBondContact O-N 2.75Å; R290-A292 PolarHBondContact O-N 3.11Å; A292-F299 HydrophobicContact CB-CD1 3.99Å; A292-F299 HydrophobicContact CB-CE1 4.06Å; A292-L301 HydrophobicContact CB-CD2 4.36Å; A292-L301 HydrophobicContact CB-CG 3.93Å; A292-Y352 PolarHBondContact O-OH 2.78Å
293	K	92.1	Very high	89.9	Confident	66 Å²	66	71.4 Å²	71.4	29%	0.287	35%	0.347	S	S	.	.	H	α-helix	trans	-85.6	-20.6	175.6	-68.5	-177.1	-169.2	-170.6	0	113.4	V289 R290 R291 K295 D350 Y352	V289-K293 HydrophobicContact CG1-CD 4.39Å; V289-K293 VanDerWaalsContact O-CG 3.31Å; V289-K293 WeakPolarHBondContact O-CG 3.44Å; V289-K293 PolarHBondContact O-N 2.9Å; V289-K293 VanDerWaalsContact O-N 3.16Å; R290-K293 PolarHBondContact O-N 3.09Å; R291-K293 PolarHBondContact O-N 2.82Å; K293-K295 PolarHBondContact O-N 2.56Å; K293-D350 WeakPolarHBondContact CE-OD1 3.37Å; K293-D350 IonicContact NZ-OD1 2.74Å; K293-D350 PolarHBondContact NZ-OD1 3.35Å; K293-D350 IonicContact NZ-OD2 2.59Å; K293-D350 PolarHBondContact NZ-OD2 3.32Å; K293-Y352 HydrophobicContact CB-CD2 4.5Å; K293-Y352 HydrophobicContact CB-CE1 4.45Å; K293-Y352 HydrophobicContact CB-CE2 4.35Å; K293-Y352 HydrophobicContact CD-CD1 4.23Å; K293-Y352 HydrophobicContact CD-CD2 4.4Å; K293-Y352 HydrophobicContact CD-CG 3.97Å; K293-Y352 HydrophobicContact CG-CD1 3.56Å; K293-Y352 HydrophobicContact CG-CD2 4.01Å; K293-Y352 HydrophobicContact CG-CE1 3.76Å; K293-Y352 HydrophobicContact CG-CE2 4.2Å; K293-Y352 HydrophobicContact CG-CG 3.68Å
294	D	92.1	Very high	89.7	Confident	72 Å²	72	65.1 Å²	65.1	39%	0.385	32%	0.318	S	S	.	.			trans	-76.7	120.4	179.6	-169.8	-7.8	0	0	0	110.5	R290 R291 N296 D297	R290-D294 PolarHBondContact O-N 3.23Å; R290-D294 VanDerWaalsContact O-N 3.16Å; R291-D294 PolarHBondContact O-N 3.42Å; R291-D294 VanDerWaalsContact O-N 3.16Å; D294-N296 PolarHBondContact O-N 3.48Å; D294-N296 WeakPolarHBondContact OD1-CB 3.48Å; D294-N296 PolarHBondContact OD1-N 3.1Å; D294-N296 PolarHBondContact OD1-ND2 2.87Å; D294-D297 HydrophobicContact CB-CB 3.95Å; D294-D297 PolarHBondContact O-N 2.58Å
295	K	89.2	Confident	89.4	Confident	179 Å²	179	61.8 Å²	61.8	78%	0.778	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.3	177.7	-64.3	-178.6	-177.1	175.3	0	112.5	K293	K293-K295 PolarHBondContact O-N 2.56Å
296	N	91.6	Very high	89.1	Confident	152 Å²	152	64.4 Å²	64.4	81%	0.813	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-11.7	179.3	-56	-51.8	0	0	0	113	D294	D294-N296 PolarHBondContact O-N 3.48Å; D294-N296 WeakPolarHBondContact OD1-CB 3.48Å; D294-N296 PolarHBondContact OD1-N 3.1Å; D294-N296 PolarHBondContact OD1-ND2 2.87Å
297	D	89	Confident	88.6	Confident	35 Å²	35	71.8 Å²	71.8	19%	0.187	33%	0.334	C	S	.	.			trans	-87.2	136.9	170.5	-163.3	-31.5	0	0	0	109.3	R291 D294 F299 R300	R291-D297 VanDerWaalsContact CB-OD2 3.29Å; R291-D297 WeakPolarHBondContact CB-OD2 3.43Å; R291-D297 VanDerWaalsContact CG-OD2 3.25Å; R291-D297 WeakPolarHBondContact CG-OD2 3.31Å; R291-D297 IonicContact NE-OD2 3.34Å; R291-D297 PolarHBondContact NE-OD2 3.23Å; D294-D297 HydrophobicContact CB-CB 3.95Å; D294-D297 PolarHBondContact O-N 2.58Å; D297-F299 VanDerWaalsContact C-N 3.26Å; D297-F299 VanDerWaalsContact OD1-CB 3.29Å; D297-F299 WeakPolarHBondContact OD1-CB 3.43Å; D297-F299 PolarHBondContact OD1-N 3.29Å; D297-R300 PolarHBondContact O-NH1 3.3Å; D297-R300 PolarHBondContact O-NH2 2.88Å
298	S	88.2	Confident	88.3	Confident	111 Å²	111	70.6 Å²	70.6	78%	0.776	33%	0.332	S	S	*	.			trans	-75	-14.7	174.3	51.6	0	0	0	0	113.4
299	F	86	Confident	88.2	Confident	18 Å²	18	70.1 Å²	70.1	8%	0.079	33%	0.33	C	S	.	.			trans	-63.4	136.5	-179.4	-178.8	-97	0	0	0	111.8	M275 F288 R291 A292 D297 L301	M275-F299 HydrophobicContact CG-CE2 4.03Å; M275-F299 HydrophobicContact CG-CZ 3.72Å; M275-F299 HydrophobicContact SD-CZ 3.99Å; F288-F299 HydrophobicContact CB-CE1 4.12Å; F288-F299 HydrophobicContact CB-CZ 4.25Å; F288-F299 HydrophobicContact CD1-CD2 4.25Å; F288-F299 AromaticContact CD1-CE1 3.93Å; F288-F299 HydrophobicContact CD1-CE1 3.93Å; F288-F299 AromaticContact CD1-CE2 3.61Å; F288-F299 HydrophobicContact CD1-CE2 3.61Å; F288-F299 AromaticContact CD1-CZ 3.46Å; F288-F299 HydrophobicContact CD1-CZ 3.46Å; F288-F299 VanDerWaalsContact CD1-CZ 3.46Å; F288-F299 AromaticContact CE1-CE2 4Å; F288-F299 HydrophobicContact CE1-CE2 4Å; F288-F299 HydrophobicContact CE1-CZ 4.27Å; F288-F299 HydrophobicContact CG-CZ 4.33Å; F288-F299 WeakPolarHBondContact O-CE1 3.03Å; R291-F299 HydrophobicContact CB-CB 4.09Å; R291-F299 HydrophobicContact CB-CD1 3.83Å; R291-F299 HydrophobicContact CB-CG 4.17Å; A292-F299 HydrophobicContact CB-CD1 3.99Å; A292-F299 HydrophobicContact CB-CE1 4.06Å; D297-F299 VanDerWaalsContact C-N 3.26Å; D297-F299 VanDerWaalsContact OD1-CB 3.29Å; D297-F299 WeakPolarHBondContact OD1-CB 3.43Å; D297-F299 PolarHBondContact OD1-N 3.29Å; F299-L301 HydrophobicContact CE1-CD2 3.83Å; F299-L301 HydrophobicContact CZ-CD2 4.11Å
300	R	83.2	Confident	87.9	Confident	125 Å²	125	74.3 Å²	74.3	47%	0.472	35%	0.348	S	S	.	.			trans	-136.6	145.7	178.7	-63.6	-65.5	175.4	-102.8	-0.6	109	D297 M302	D297-R300 PolarHBondContact O-NH1 3.3Å; D297-R300 PolarHBondContact O-NH2 2.88Å; R300-M302 PolarHBondContact O-N 3.24Å
301	L	83.4	Confident	87.5	Confident	17 Å²	17	70.6 Å²	70.6	9%	0.089	34%	0.34	C	S	.	.			trans	-72.8	112	172.3	-69.4	-170.4	0	0	0	110.1	M275 A292 F299 F304 F353	M275-L301 HydrophobicContact CE-CD2 4.32Å; M275-L301 VanDerWaalsContact SD-CA 3.52Å; M275-L301 HydrophobicContact SD-CB 4.18Å; M275-L301 HydrophobicContact SD-CD2 3.57Å; M275-L301 VanDerWaalsContact SD-CD2 3.57Å; M275-L301 HydrophobicContact SD-CG 4.48Å; A292-L301 HydrophobicContact CB-CD2 4.36Å; A292-L301 HydrophobicContact CB-CG 3.93Å; F299-L301 HydrophobicContact CE1-CD2 3.83Å; F299-L301 HydrophobicContact CZ-CD2 4.11Å; L301-F304 HydrophobicContact CB-CB 4.07Å; L301-F304 HydrophobicContact CB-CD2 3.6Å; L301-F304 HydrophobicContact CB-CE2 4.3Å; L301-F304 HydrophobicContact CB-CG 3.97Å; L301-F304 HydrophobicContact CD1-CD2 4.23Å; L301-F304 HydrophobicContact CD1-CE2 4.4Å; L301-F304 HydrophobicContact CD1-CG 4.3Å; L301-F304 HydrophobicContact CG-CD2 4.48Å; L301-F353 HydrophobicContact CD1-CD1 3.96Å; L301-F353 HydrophobicContact CD1-CE1 3.2Å; L301-F353 HydrophobicContact CD1-CZ 3.72Å; L301-F353 HydrophobicContact CG-CE1 4.06Å
302	M	86.5	Confident	87.3	Confident	65 Å²	65	73 Å²	73	32%	0.32	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	137.2	179.6	-57.2	-58.3	-74.9	0	0	109.9	A271 A272 M275 R300 F304	A271-M302 HydrophobicContact CB-CB 4.01Å; A271-M302 HydrophobicContact CB-CE 3.38Å; A271-M302 HydrophobicContact CB-CG 3.86Å; A271-M302 HydrophobicContact CB-SD 4.45Å; A272-M302 HydrophobicContact CB-CB 4.31Å; M275-M302 WeakPolarHBondContact CE-O 3.48Å; M275-M302 HydrophobicContact SD-CB 4.33Å; M275-M302 PolarHBondContact SD-N 3.38Å; R300-M302 PolarHBondContact O-N 3.24Å; M302-F304 WeakPolarHBondContact O-CD2 3.38Å
303	G	84.4	Confident	87.4	Confident	6 Å²	6	72.8 Å²	72.8	6%	0.062	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	10	-171.2	0	0	0	0	0	114.4	N361	G303-N361 VanDerWaalsContact O-CG 3.26Å; G303-N361 PolarHBondContact O-N 3.11Å; G303-N361 PolarHBondContact O-ND2 2.96Å; G303-N361 PolarHBondContact O-OD1 3.05Å
304	F	87.7	Confident	87.5	Confident	16 Å²	16	70.2 Å²	70.2	7%	0.07	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-118.3	137.5	178.1	-67.7	-96.7	0	0	0	111.9	M275 L301 M302 L343 A347 L358 Y359 P360 F364	M275-F304 HydrophobicContact CE-CD2 4.47Å; M275-F304 HydrophobicContact CE-CE2 3.98Å; L301-F304 HydrophobicContact CB-CB 4.07Å; L301-F304 HydrophobicContact CB-CD2 3.6Å; L301-F304 HydrophobicContact CB-CE2 4.3Å; L301-F304 HydrophobicContact CB-CG 3.97Å; L301-F304 HydrophobicContact CD1-CD2 4.23Å; L301-F304 HydrophobicContact CD1-CE2 4.4Å; L301-F304 HydrophobicContact CD1-CG 4.3Å; L301-F304 HydrophobicContact CG-CD2 4.48Å; M302-F304 WeakPolarHBondContact O-CD2 3.38Å; F304-L343 HydrophobicContact CZ-CB 4.18Å; F304-A347 HydrophobicContact CD1-CB 3.58Å; F304-A347 HydrophobicContact CE1-CB 3.28Å; F304-A347 HydrophobicContact CZ-CB 4.4Å; F304-L358 HydrophobicContact CB-CB 4.35Å; F304-L358 WeakPolarHBondContact CD1-O 3.46Å; F304-Y359 CarbonylContact C-O 3.56Å; F304-Y359 VanDerWaalsContact CA-O 3.31Å; F304-Y359 WeakPolarHBondContact CA-O 3.19Å; F304-P360 HydrophobicContact CD1-CB 4.47Å; F304-P360 HydrophobicContact CD1-CG 4.24Å; F304-P360 HydrophobicContact CE1-CB 4.16Å; F304-P360 HydrophobicContact CE1-CG 3.75Å; F304-F364 AromaticContact CE2-CD2 3.77Å; F304-F364 HydrophobicContact CE2-CD2 3.77Å; F304-F364 AromaticContact CE2-CE2 3.77Å; F304-F364 HydrophobicContact CE2-CE2 3.77Å; F304-F364 AromaticContact CZ-CD2 3.96Å; F304-F364 HydrophobicContact CZ-CD2 3.96Å; F304-F364 AromaticContact CZ-CE2 3.68Å; F304-F364 HydrophobicContact CZ-CE2 3.68Å; F304-F364 HydrophobicContact CZ-CZ 4.18Å
305	G	86.3	Confident	87.6	Confident	10 Å²	10	67.1 Å²	67.1	10%	0.103	32%	0.32	C	S	.	.	S	Bend	trans	73.3	174.6	-172.6	0	0	0	0	0	112.9	Y359 N361	G305-Y359 PolarHBondContact N-O 3.2Å; G305-N361 PolarHBondContact O-ND2 3.49Å
306	H	85.1	Confident	87.8	Confident	57 Å²	57	59 Å²	59	26%	0.264	29%	0.287	S	S	.	.			trans	-150.2	147.6	177.7	-160.2	-89.6	0	0	0	110.7	H230 V308 Y309 R315 Y359	H230-H306 AromaticContact CE1-CE1 3.72Å; H306-V308 PolarHBondContact ND1-N 3.38Å; H306-Y309 HydrophobicContact CB-CD2 4.31Å; H306-Y309 AromaticContact CD2-CD2 3.96Å; H306-Y309 AromaticContact CE1-CD2 3.51Å; H306-Y309 AromaticContact CE1-CE2 3.66Å; H306-Y309 AromaticContact CG-CD2 3.66Å; H306-Y309 AromaticContact ND1-CD2 3.36Å; H306-Y309 WeakPolarHBondContact ND1-CD2 3.34Å; H306-Y309 AromaticContact ND1-CE2 3.99Å; H306-Y309 PolarHBondContact ND1-N 2.86Å; H306-Y309 AromaticContact NE2-CD2 3.9Å; H306-Y309 AromaticContact NE2-CE2 3.97Å; H306-R315 PolarHBondContact NE2-NH2 3.4Å; H306-R315 VanDerWaalsContact NE2-NH2 3.18Å; H306-Y359 HydrophobicContact CB-CE2 4.43Å; H306-Y359 WeakPolarHBondContact CB-OH 3.42Å
307	R	82.3	Confident	87.8	Confident	240 Å²	240	55.2 Å²	55.2	91%	0.906	27%	0.269	S	S	*	.	S	Bend	trans	-72.9	-31.4	-179.9	-174.6	171.5	179.9	145.5	-0.2	113
308	V	85.8	Confident	88	Confident	63 Å²	63	53.8 Å²	53.8	38%	0.382	26%	0.261	S	S	.	.	S	Bend	trans	-95.7	-61.6	-178.5	-173	0	0	0	0	111.1	I60 G62 H306 K310	I60-V308 HydrophobicContact CG2-CG1 3.42Å; I60-V308 VanDerWaalsContact CG2-CG1 3.42Å; G62-V308 VanDerWaalsContact CA-O 3.26Å; G62-V308 WeakPolarHBondContact CA-O 3.38Å; H306-V308 PolarHBondContact ND1-N 3.38Å; V308-K310 PolarHBondContact O-N 3.08Å
309	Y	89.9	Confident	88.3	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.008	22%	0.224	C	C	.	.			trans	-70.5	128	179.8	-51.3	-64.5	0	0	0	113.3	I60 G62 H230 H306 Y312 D313 P314 Y359	I60-Y309 HydrophobicContact CG2-CD1 4.32Å; I60-Y309 HydrophobicContact CG2-CE1 3.58Å; G62-Y309 CarbonylContact O-C 3.15Å; G62-Y309 VanDerWaalsContact O-CA 3.25Å; G62-Y309 WeakPolarHBondContact O-CA 3.48Å; H230-Y309 AromaticContact CE1-CE2 3.97Å; H230-Y309 AromaticContact NE2-CE2 3.33Å; H230-Y309 VanDerWaalsContact NE2-CE2 3.33Å; H230-Y309 WeakPolarHBondContact NE2-CE2 3.49Å; H230-Y309 AromaticContact NE2-CZ 3.53Å; H230-Y309 PolarHBondContact NE2-OH 3.44Å; H306-Y309 HydrophobicContact CB-CD2 4.31Å; H306-Y309 AromaticContact CD2-CD2 3.96Å; H306-Y309 AromaticContact CE1-CD2 3.51Å; H306-Y309 AromaticContact CE1-CE2 3.66Å; H306-Y309 AromaticContact CG-CD2 3.66Å; H306-Y309 AromaticContact ND1-CD2 3.36Å; H306-Y309 WeakPolarHBondContact ND1-CD2 3.34Å; H306-Y309 AromaticContact ND1-CE2 3.99Å; H306-Y309 PolarHBondContact ND1-N 2.86Å; H306-Y309 AromaticContact NE2-CD2 3.9Å; H306-Y309 AromaticContact NE2-CE2 3.97Å; Y309-Y312 VanDerWaalsContact CB-O 3.23Å; Y309-Y312 WeakPolarHBondContact CB-O 3.25Å; Y309-D313 HydrophobicContact CD2-CB 4.11Å; Y309-P314 HydrophobicContact CD1-CG 4.3Å; Y309-P314 HydrophobicContact CE1-CG 3.74Å; Y309-P314 HydrophobicContact CE2-CG 4.36Å; Y309-Y359 VanDerWaalsContact C-OH 3.27Å; Y309-Y359 VanDerWaalsContact CB-OH 3.26Å; Y309-Y359 WeakPolarHBondContact CB-OH 3.45Å; Y309-Y359 PolarHBondContact O-OH 3.46Å
310	K	85.4	Confident	88.6	Confident	100 Å²	100	51.8 Å²	51.8	44%	0.435	24%	0.236	S	C	.	.	S	Bend	trans	-83.9	-40.4	-179.8	-70.6	-171.5	-177.8	153.4	0	112.6	G62 D63 V308 K357	G62-K310 PolarHBondContact O-N 3.01Å; D63-K310 HydrophobicContact CB-CD 4.46Å; D63-K310 WeakPolarHBondContact OD1-CD 3.36Å; D63-K310 WeakPolarHBondContact OD1-CE 3.43Å; D63-K310 IonicContact OD1-NZ 3.54Å; D63-K310 PolarHBondContact OD1-NZ 3.13Å; D63-K310 IonicContact OD2-NZ 3.99Å; D63-K310 PolarHBondContact OD2-NZ 2.88Å; V308-K310 PolarHBondContact O-N 3.08Å; K310-K357 WeakPolarHBondContact O-CB 3.37Å; K310-K357 WeakPolarHBondContact O-CD 3.45Å
311	N	84.8	Confident	89	Confident	83 Å²	83	50.7 Å²	50.7	44%	0.444	24%	0.237	S	C	.	.	S	Bend	trans	-107.9	-41	-166.6	-62.3	-46.8	0	0	0	114.2	D63 K357 Y359	D63-N311 PolarHBondContact O-ND2 3.19Å; N311-K357 PolarHBondContact OD1-NZ 2.91Å; N311-Y359 WeakPolarHBondContact O-CD1 3.15Å; N311-Y359 WeakPolarHBondContact O-CE1 3.43Å
312	Y	88.6	Confident	89.5	Confident	111 Å²	111	49.9 Å²	49.9	44%	0.435	23%	0.232	S	C	.	.			trans	-159.7	157.9	174.5	66.2	-84.3	0	0	0	109.1	Y309 P314 Y359	Y309-Y312 VanDerWaalsContact CB-O 3.23Å; Y309-Y312 WeakPolarHBondContact CB-O 3.25Å; Y312-P314 HydrophobicContact CE2-CB 4.19Å; Y312-Y359 VanDerWaalsContact C-CE2 3.49Å; Y312-Y359 VanDerWaalsContact CA-CE2 3.46Å
313	D	93.3	Very high	89.8	Confident	1 Å²	1	47 Å²	47	1%	0.005	22%	0.219	C	C	.	.			trans	-88.6	115.6	172.4	-179	-11.3	0	0	0	109	Y309 R315 A316 Y359 N361 V362	Y309-D313 HydrophobicContact CD2-CB 4.11Å; D313-R315 PolarHBondContact O-N 3.08Å; D313-R315 VanDerWaalsContact O-N 3.08Å; D313-R315 VanDerWaalsContact OD1-CB 3.29Å; D313-R315 WeakPolarHBondContact OD1-CB 3.45Å; D313-R315 WeakPolarHBondContact OD1-CG 3.19Å; D313-R315 IonicContact OD1-CZ 3.29Å; D313-R315 PolarHBondContact OD1-N 3.3Å; D313-R315 IonicContact OD1-NE 3.23Å; D313-R315 PolarHBondContact OD1-NE 3.14Å; D313-R315 IonicContact OD1-NH2 3.24Å; D313-R315 IonicContact OD2-CZ 3.31Å; D313-R315 IonicContact OD2-NE 3.55Å; D313-R315 PolarHBondContact OD2-NE 3.48Å; D313-R315 IonicContact OD2-NH2 3.95Å; D313-R315 PolarHBondContact OD2-NH2 3.15Å; D313-A316 HydrophobicContact CB-CB 4.02Å; D313-A316 VanDerWaalsContact O-CB 3.25Å; D313-A316 WeakPolarHBondContact O-CB 3.24Å; D313-A316 PolarHBondContact O-N 3.17Å; D313-Y359 HydrophobicContact CB-CE2 4.03Å; D313-N361 HydrophobicContact CB-CB 4.17Å; D313-V362 PolarHBondContact OD2-N 3.24Å; D313-V362 VanDerWaalsContact OD2-N 3.13Å
314	P	94.1	Very high	90	Very high	11 Å²	11	50.4 Å²	50.4	7%	0.071	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-24	-177.5	22.3	-32.8	0	0	0	113.8	G65 L67 I74 Y309 Y312 A316	G65-P314 VanDerWaalsContact O-CB 3.24Å; G65-P314 WeakPolarHBondContact O-CB 3.37Å; G65-P314 VanDerWaalsContact O-CG 3.31Å; G65-P314 WeakPolarHBondContact O-CG 3.29Å; L67-P314 HydrophobicContact CB-CG 3.81Å; I74-P314 HydrophobicContact CG2-CB 4.01Å; I74-P314 HydrophobicContact CG2-CG 4.46Å; Y309-P314 HydrophobicContact CD1-CG 4.3Å; Y309-P314 HydrophobicContact CE1-CG 3.74Å; Y309-P314 HydrophobicContact CE2-CG 4.36Å; Y312-P314 HydrophobicContact CE2-CB 4.19Å; P314-A316 VanDerWaalsContact C-N 3.31Å
315	R	95.5	Very high	90.2	Very high	8 Å²	8	52.6 Å²	52.6	3%	0.03	24%	0.243	C	C	.	.	H	α-helix	trans	-73.3	-27	177.1	-58.4	170.8	-65.9	167.6	2.1	112.2	L67 I74 L226 H230 H306 D313 T317 M319 V362	L67-R315 HydrophobicContact CD2-CG 3.6Å; I74-R315 HydrophobicContact CG1-CG 4.2Å; L226-R315 HydrophobicContact CD2-CB 3.96Å; L226-R315 HydrophobicContact CD2-CG 4.26Å; L226-R315 VanDerWaalsContact O-CD 3.3Å; L226-R315 WeakPolarHBondContact O-CD 2.96Å; H230-R315 PolarHBondContact CD2-NH1 3.22Å; H306-R315 PolarHBondContact NE2-NH2 3.4Å; H306-R315 VanDerWaalsContact NE2-NH2 3.18Å; D313-R315 PolarHBondContact O-N 3.08Å; D313-R315 VanDerWaalsContact O-N 3.08Å; D313-R315 VanDerWaalsContact OD1-CB 3.29Å; D313-R315 WeakPolarHBondContact OD1-CB 3.45Å; D313-R315 WeakPolarHBondContact OD1-CG 3.19Å; D313-R315 IonicContact OD1-CZ 3.29Å; D313-R315 PolarHBondContact OD1-N 3.3Å; D313-R315 IonicContact OD1-NE 3.23Å; D313-R315 PolarHBondContact OD1-NE 3.14Å; D313-R315 IonicContact OD1-NH2 3.24Å; D313-R315 IonicContact OD2-CZ 3.31Å; D313-R315 IonicContact OD2-NE 3.55Å; D313-R315 PolarHBondContact OD2-NE 3.48Å; D313-R315 IonicContact OD2-NH2 3.95Å; D313-R315 PolarHBondContact OD2-NH2 3.15Å; R315-T317 VanDerWaalsContact C-N 3.31Å; R315-T317 PolarHBondContact O-N 2.91Å; R315-M319 PolarHBondContact O-N 3.26Å; R315-V362 HydrophobicContact CB-CB 3.91Å; R315-V362 HydrophobicContact CB-CG2 3.83Å
316	A	92.7	Very high	90.5	Very high	8 Å²	8	52.1 Å²	52.1	7%	0.066	24%	0.238	C	C	.	.	H	α-helix	trans	-70.6	-27.2	-174.7	0	0	0	0	0	112.5	D313 P314 M319 R320 Y365	D313-A316 HydrophobicContact CB-CB 4.02Å; D313-A316 VanDerWaalsContact O-CB 3.25Å; D313-A316 WeakPolarHBondContact O-CB 3.24Å; D313-A316 PolarHBondContact O-N 3.17Å; P314-A316 VanDerWaalsContact C-N 3.31Å; A316-M319 PolarHBondContact O-N 2.93Å; A316-R320 VanDerWaalsContact O-CB 3.26Å; A316-R320 WeakPolarHBondContact O-CB 3.49Å; A316-R320 PolarHBondContact O-N 3.47Å; A316-Y365 HydrophobicContact CB-CD2 4.07Å; A316-Y365 HydrophobicContact CB-CE2 3.86Å
317	T	91.4	Very high	90.7	Very high	73 Å²	73	50.3 Å²	50.3	45%	0.448	23%	0.23	S	C	.	.	H	α-helix	trans	-57.3	-57.4	178.8	-52.3	0	0	0	0	111.7	R315 M319 R320 E321	R315-T317 VanDerWaalsContact C-N 3.31Å; R315-T317 PolarHBondContact O-N 2.91Å; T317-M319 VanDerWaalsContact C-N 3.32Å; T317-M319 PolarHBondContact O-N 3.46Å; T317-R320 PolarHBondContact O-N 2.92Å; T317-E321 PolarHBondContact O-N 3.29Å
318	V	94.1	Very high	91.1	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.024	23%	0.225	C	C	.	.	H	α-helix	trans	-69	-33.3	179.6	-178.4	0	0	0	0	111.3	D75 A78 L226 R320 E321 T322	D75-V318 HydrophobicContact CB-CG2 4.33Å; A78-V318 HydrophobicContact CB-CB 4.2Å; A78-V318 HydrophobicContact CB-CG1 3.84Å; A78-V318 HydrophobicContact CB-CG2 4.2Å; L226-V318 HydrophobicContact CD1-CB 4.31Å; L226-V318 HydrophobicContact CD1-CG1 4.47Å; V318-R320 VanDerWaalsContact C-N 3.35Å; V318-E321 PolarHBondContact O-N 2.89Å; V318-T322 WeakPolarHBondContact O-CB 3.29Å; V318-T322 PolarHBondContact O-N 2.96Å; V318-T322 PolarHBondContact O-OG1 3.38Å
319	M	93.9	Very high	91.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-37.8	177.9	-159.8	64.8	77.7	0	0	112.2	I223 L226 R315 A316 T317 T322 C323 V362 Y365 I369	I223-M319 HydrophobicContact CB-CE 4.49Å; I223-M319 HydrophobicContact CG1-CE 3.91Å; I223-M319 HydrophobicContact CG1-SD 3.76Å; L226-M319 HydrophobicContact CB-CE 3.75Å; L226-M319 HydrophobicContact CD1-CB 4.11Å; L226-M319 HydrophobicContact CD1-CE 3.27Å; L226-M319 HydrophobicContact CD1-SD 4.04Å; L226-M319 HydrophobicContact CG-CE 4.1Å; R315-M319 PolarHBondContact O-N 3.26Å; A316-M319 PolarHBondContact O-N 2.93Å; T317-M319 VanDerWaalsContact C-N 3.32Å; T317-M319 PolarHBondContact O-N 3.46Å; M319-T322 PolarHBondContact O-N 3.39Å; M319-C323 WeakPolarHBondContact O-CB 3.17Å; M319-C323 PolarHBondContact O-N 3.27Å; M319-V362 HydrophobicContact CB-CG2 4.22Å; M319-V362 HydrophobicContact CE-CG2 3.57Å; M319-V362 HydrophobicContact CG-CG2 4.23Å; M319-Y365 VanDerWaalsContact CG-CB 3.44Å; M319-Y365 HydrophobicContact CG-CG 4.5Å; M319-I369 HydrophobicContact CG-CD1 3.98Å; M319-I369 HydrophobicContact SD-CD1 3.6Å
320	R	91.8	Very high	91.4	Very high	88 Å²	88	51.3 Å²	51.3	33%	0.332	24%	0.24	S	C	.	.	H	α-helix	trans	-63.1	-47	176.1	-178.6	-179.9	-169.7	-74.1	-13.6	111.8	A316 T317 V318 T322 C323 H324 E344 Y365	A316-R320 VanDerWaalsContact O-CB 3.26Å; A316-R320 WeakPolarHBondContact O-CB 3.49Å; A316-R320 PolarHBondContact O-N 3.47Å; T317-R320 PolarHBondContact O-N 2.92Å; V318-R320 VanDerWaalsContact C-N 3.35Å; R320-T322 VanDerWaalsContact C-N 3.33Å; R320-T322 PolarHBondContact O-N 2.9Å; R320-C323 VanDerWaalsContact O-CB 3.29Å; R320-C323 WeakPolarHBondContact O-CB 3.46Å; R320-C323 PolarHBondContact O-N 3.49Å; R320-H324 PolarHBondContact NH1-NE2 2.93Å; R320-H324 PolarHBondContact NH2-NE2 3.27Å; R320-H324 PolarHBondContact O-CD2 3.01Å; R320-H324 PolarHBondContact O-N 3.32Å; R320-H324 VanDerWaalsContact O-N 3.09Å; R320-E344 WeakPolarHBondContact CD-OE1 3.41Å; R320-E344 IonicContact CZ-OE1 3.51Å; R320-E344 IonicContact CZ-OE2 3.57Å; R320-E344 IonicContact NE-OE1 2.94Å; R320-E344 PolarHBondContact NE-OE1 3.15Å; R320-E344 IonicContact NE-OE2 3.5Å; R320-E344 IonicContact NH2-OE1 3.74Å; R320-E344 PolarHBondContact NH2-OE1 2.89Å; R320-E344 IonicContact NH2-OE2 2.83Å; R320-E344 PolarHBondContact NH2-OE2 2.73Å; R320-Y365 HydrophobicContact CB-CD1 3.95Å; R320-Y365 HydrophobicContact CB-CD2 4.43Å; R320-Y365 HydrophobicContact CB-CE1 3.69Å; R320-Y365 HydrophobicContact CB-CE2 4.22Å; R320-Y365 HydrophobicContact CB-CG 4.3Å; R320-Y365 HydrophobicContact CG-CD1 4.15Å; R320-Y365 HydrophobicContact CG-CE1 3.56Å
321	E	92.5	Very high	91.2	Very high	101 Å²	101	49.6 Å²	49.6	47%	0.472	25%	0.251	S	S	.	.	H	α-helix	trans	-60.3	-45.7	176	-67.1	177.2	179.3	0	0	111.3	T317 V318 C323 H324 E325	T317-E321 PolarHBondContact O-N 3.29Å; V318-E321 PolarHBondContact O-N 2.89Å; E321-C323 VanDerWaalsContact C-N 3.28Å; E321-C323 PolarHBondContact O-N 3.49Å; E321-H324 PolarHBondContact O-N 3.37Å; E321-E325 WeakPolarHBondContact O-CG 3.21Å; E321-E325 PolarHBondContact O-N 3.29Å
322	T	94.5	Very high	90.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-38.5	175.8	-56.3	0	0	0	0	111.8	A219 R222 V318 M319 R320 E325 V326 I369	A219-T322 HydrophobicContact CB-CG2 3.5Å; A219-T322 VanDerWaalsContact CB-CG2 3.5Å; R222-T322 WeakPolarHBondContact CD-OG1 3.43Å; R222-T322 PolarHBondContact NH1-OG1 2.95Å; V318-T322 WeakPolarHBondContact O-CB 3.29Å; V318-T322 PolarHBondContact O-N 2.96Å; V318-T322 PolarHBondContact O-OG1 3.38Å; M319-T322 PolarHBondContact O-N 3.39Å; R320-T322 VanDerWaalsContact C-N 3.33Å; R320-T322 PolarHBondContact O-N 2.9Å; T322-E325 PolarHBondContact O-N 3.22Å; T322-V326 HydrophobicContact CG2-CG2 4.46Å; T322-V326 WeakPolarHBondContact O-CG2 3.41Å; T322-V326 PolarHBondContact O-N 3.5Å; T322-I369 HydrophobicContact CG2-CD1 3.98Å
323	C	91.3	Very high	89	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.034	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-50.3	175.1	-167.8	0	0	0	0	110.7	M319 R320 E321 E325 V326 L327 Y365 I368 I369	M319-C323 WeakPolarHBondContact O-CB 3.17Å; M319-C323 PolarHBondContact O-N 3.27Å; R320-C323 VanDerWaalsContact O-CB 3.29Å; R320-C323 WeakPolarHBondContact O-CB 3.46Å; R320-C323 PolarHBondContact O-N 3.49Å; E321-C323 VanDerWaalsContact C-N 3.28Å; E321-C323 PolarHBondContact O-N 3.49Å; C323-E325 VanDerWaalsContact C-N 3.34Å; C323-E325 PolarHBondContact O-N 2.96Å; C323-V326 PolarHBondContact O-N 3.39Å; C323-L327 WeakPolarHBondContact O-CB 3.25Å; C323-L327 VanDerWaalsContact O-CD1 3.26Å; C323-L327 WeakPolarHBondContact O-CD1 3.29Å; C323-L327 WeakPolarHBondContact O-CG 3.45Å; C323-L327 PolarHBondContact O-N 3.06Å; C323-L327 VanDerWaalsContact SG-CD1 3.56Å; C323-Y365 HydrophobicContact CB-CD1 4.37Å; C323-I368 VanDerWaalsContact SG-CG2 3.56Å; C323-I369 HydrophobicContact CB-CD1 3.99Å; C323-I369 HydrophobicContact CB-CG1 3.87Å
324	H	88.9	Confident	87.8	Confident	78 Å²	78	54.7 Å²	54.7	36%	0.361	28%	0.279	S	S	.	.	H	α-helix	trans	-61.1	-39.4	177.3	-69.8	-60.2	0	0	0	113.2	R320 E321 K328	R320-H324 PolarHBondContact NH1-NE2 2.93Å; R320-H324 PolarHBondContact NH2-NE2 3.27Å; R320-H324 PolarHBondContact O-CD2 3.01Å; R320-H324 PolarHBondContact O-N 3.32Å; R320-H324 VanDerWaalsContact O-N 3.09Å; E321-H324 PolarHBondContact O-N 3.37Å; H324-K328 VanDerWaalsContact O-CB 3.25Å; H324-K328 WeakPolarHBondContact O-CB 3.31Å; H324-K328 PolarHBondContact O-N 3.22Å
325	E	92.7	Very high	86.8	Confident	62 Å²	62	59.3 Å²	59.3	29%	0.29	30%	0.304	S	S	.	.	H	α-helix	trans	-61.3	-48.8	176.2	-70.3	176.7	-172.3	0	0	112.1	I215 R218 R222 E321 T322 C323 K328 E329	I215-E325 HydrophobicContact CG2-CB 4.41Å; R218-E325 IonicContact CZ-OE2 3.68Å; R218-E325 VanDerWaalsContact CZ-OE2 3.32Å; R218-E325 IonicContact NE-OE2 2.93Å; R218-E325 PolarHBondContact NE-OE2 2.88Å; R218-E325 IonicContact NH2-OE1 3.86Å; R218-E325 IonicContact NH2-OE2 2.72Å; R218-E325 PolarHBondContact NH2-OE2 2.94Å; R222-E325 IonicContact NH1-OE1 3.99Å; R222-E325 IonicContact NH1-OE2 3.97Å; E321-E325 WeakPolarHBondContact O-CG 3.21Å; E321-E325 PolarHBondContact O-N 3.29Å; T322-E325 PolarHBondContact O-N 3.22Å; C323-E325 VanDerWaalsContact C-N 3.34Å; C323-E325 PolarHBondContact O-N 2.96Å; E325-K328 PolarHBondContact O-N 3.23Å; E325-E329 WeakPolarHBondContact O-CB 3.34Å; E325-E329 PolarHBondContact O-N 3.25Å
326	V	92.9	Very high	86	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.7	-45.4	-178.7	168.1	0	0	0	0	111.3	I215 L216 A219 T322 C323 K328 E329 L330 I369 A372	I215-V326 HydrophobicContact CG2-CG2 4.42Å; L216-V326 HydrophobicContact CD2-CG1 3.84Å; L216-V326 HydrophobicContact CD2-CG2 4.22Å; A219-V326 HydrophobicContact CB-CG2 3.36Å; T322-V326 HydrophobicContact CG2-CG2 4.46Å; T322-V326 WeakPolarHBondContact O-CG2 3.41Å; T322-V326 PolarHBondContact O-N 3.5Å; C323-V326 PolarHBondContact O-N 3.39Å; V326-K328 VanDerWaalsContact C-N 3.35Å; V326-K328 PolarHBondContact O-N 3.18Å; V326-E329 PolarHBondContact O-N 3.21Å; V326-L330 HydrophobicContact CG1-CD1 3.82Å; V326-L330 HydrophobicContact CG1-CG 4.47Å; V326-L330 WeakPolarHBondContact O-CG 3.49Å; V326-L330 PolarHBondContact O-N 3.39Å; V326-I369 HydrophobicContact CG1-CG2 4.44Å; V326-I369 HydrophobicContact CG2-CG2 4.15Å; V326-A372 HydrophobicContact CG1-CB 4.16Å
327	L	88.6	Confident	85.1	Confident	18 Å²	18	61 Å²	61	9%	0.094	31%	0.312	C	S	.	.	H	α-helix	trans	-67.5	-39.2	-177.5	-64.8	164.7	0	0	0	111.7	C323 E329 G331 L337 I368 A372	C323-L327 WeakPolarHBondContact O-CB 3.25Å; C323-L327 VanDerWaalsContact O-CD1 3.26Å; C323-L327 WeakPolarHBondContact O-CD1 3.29Å; C323-L327 WeakPolarHBondContact O-CG 3.45Å; C323-L327 PolarHBondContact O-N 3.06Å; C323-L327 VanDerWaalsContact SG-CD1 3.56Å; L327-E329 VanDerWaalsContact C-N 3.35Å; L327-G331 PolarHBondContact O-N 3Å; L327-L337 HydrophobicContact CB-CD2 4.1Å; L327-L337 HydrophobicContact CD1-CD1 3.18Å; L327-L337 HydrophobicContact CD1-CD2 3.55Å; L327-L337 HydrophobicContact CD1-CG 3.94Å; L327-L337 HydrophobicContact CD2-CD1 4.13Å; L327-L337 HydrophobicContact CD2-CD2 3.78Å; L327-L337 HydrophobicContact CD2-CG 4.4Å; L327-L337 HydrophobicContact CG-CD1 4.21Å; L327-L337 HydrophobicContact CG-CD2 3.97Å; L327-I368 HydrophobicContact CD1-CG2 4.32Å; L327-I368 HydrophobicContact CD2-CG2 4.36Å; L327-A372 HydrophobicContact CD2-CB 3.85Å
328	K	90.4	Very high	84.7	Confident	181 Å²	181	61.9 Å²	61.9	79%	0.787	31%	0.311	S	S	*	.	H	α-helix	trans	-63.1	-42.4	174	-178.2	-179.9	176.1	-176.5	0	111.6	H324 E325 V326 G331	H324-K328 VanDerWaalsContact O-CB 3.25Å; H324-K328 WeakPolarHBondContact O-CB 3.31Å; H324-K328 PolarHBondContact O-N 3.22Å; E325-K328 PolarHBondContact O-N 3.23Å; V326-K328 VanDerWaalsContact C-N 3.35Å; V326-K328 PolarHBondContact O-N 3.18Å; K328-G331 PolarHBondContact O-N 2.93Å
329	E	93.3	Very high	84.4	Confident	87 Å²	87	61.7 Å²	61.7	41%	0.407	31%	0.31	S	S	.	.	H	α-helix	trans	-66.1	-44.8	-179.5	175.8	61.8	-172.8	0	0	112.5	N213 I215 E325 V326 L327 G331	N213-E329 PolarHBondContact ND2-OE1 2.94Å; I215-E329 HydrophobicContact CB-CB 4.4Å; I215-E329 HydrophobicContact CB-CG 4.07Å; I215-E329 HydrophobicContact CD1-CB 3.91Å; I215-E329 VanDerWaalsContact CD1-CD 3.47Å; I215-E329 HydrophobicContact CD1-CG 3.72Å; I215-E329 WeakPolarHBondContact CD1-OE2 3.43Å; I215-E329 HydrophobicContact CG1-CG 4.47Å; I215-E329 HydrophobicContact CG2-CB 3.99Å; I215-E329 HydrophobicContact CG2-CG 4.19Å; E325-E329 WeakPolarHBondContact O-CB 3.34Å; E325-E329 PolarHBondContact O-N 3.25Å; V326-E329 PolarHBondContact O-N 3.21Å; L327-E329 VanDerWaalsContact C-N 3.35Å; E329-G331 PolarHBondContact O-N 2.96Å
330	L	89.3	Confident	84	Confident	58 Å²	58	61.8 Å²	61.8	30%	0.304	31%	0.311	S	S	.	.	H	α-helix	trans	-73.2	-16.8	-178.1	-67.1	175.1	0	0	0	113	L216 V326 T332 A372	L216-L330 HydrophobicContact CD1-CD2 4.18Å; L216-L330 HydrophobicContact CD2-CD1 4.26Å; L216-L330 HydrophobicContact CD2-CD2 4.28Å; L216-L330 HydrophobicContact CD2-CG 4.28Å; V326-L330 HydrophobicContact CG1-CD1 3.82Å; V326-L330 HydrophobicContact CG1-CG 4.47Å; V326-L330 WeakPolarHBondContact O-CG 3.49Å; V326-L330 PolarHBondContact O-N 3.39Å; L330-T332 PolarHBondContact O-N 3.38Å; L330-T332 VanDerWaalsContact O-N 3.09Å; L330-T332 PolarHBondContact O-OG1 3.17Å; L330-A372 HydrophobicContact CD1-CB 3.94Å; L330-A372 VanDerWaalsContact CD1-O 3.24Å; L330-A372 WeakPolarHBondContact CD1-O 3.48Å
331	G	80	Confident	83.6	Confident	65 Å²	65	61.4 Å²	61.4	67%	0.67	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	13.5	178.2	0	0	0	0	0	113.9	L327 K328 E329 K333	L327-G331 PolarHBondContact O-N 3Å; K328-G331 PolarHBondContact O-N 2.93Å; E329-G331 PolarHBondContact O-N 2.96Å; G331-K333 PolarHBondContact O-N 2.86Å
332	T	63.7	Low	83.5	Confident	72 Å²	72	60 Å²	60	44%	0.442	31%	0.307	S	S	.	.			trans	-79.2	119.7	-174	-41.9	0	0	0	0	110.1	L330 D334	L330-T332 PolarHBondContact O-N 3.38Å; L330-T332 VanDerWaalsContact O-N 3.09Å; L330-T332 PolarHBondContact O-OG1 3.17Å; T332-D334 HydrophobicContact CG2-CB 4.16Å; T332-D334 PolarHBondContact O-N 3.01Å
333	K	63.7	Low	83.3	Confident	187 Å²	187	60.1 Å²	60.1	81%	0.813	31%	0.307	S	S	*	.			trans	-75.6	98.9	154.8	-72.1	-173.6	175	-170.1	0	106.9	G331	G331-K333 PolarHBondContact O-N 2.86Å
334	D	68.3	Low	83.2	Confident	42 Å²	42	60.8 Å²	60.8	23%	0.225	31%	0.31	C	S	.	.			trans	-106.3	117.9	175.8	-169	-25.4	0	0	0	108.1	T332 L336 L337 E338	T332-D334 HydrophobicContact CG2-CB 4.16Å; T332-D334 PolarHBondContact O-N 3.01Å; D334-L336 PolarHBondContact O-N 3.17Å; D334-L336 VanDerWaalsContact OD1-CB 3.28Å; D334-L336 WeakPolarHBondContact OD1-CB 3.4Å; D334-L336 PolarHBondContact OD1-N 3.15Å; D334-L337 HydrophobicContact CB-CB 3.99Å; D334-L337 WeakPolarHBondContact O-CA 3.42Å; D334-L337 VanDerWaalsContact O-CB 3.25Å; D334-L337 WeakPolarHBondContact O-CB 3.46Å; D334-L337 PolarHBondContact O-N 3.47Å; D334-E338 PolarHBondContact O-N 3.44Å
335	D	73.4	Confident	83.2	Confident	108 Å²	108	60.4 Å²	60.4	58%	0.578	31%	0.311	S	S	*	.	H	α-helix	trans	-57	-33.5	178.2	-63.8	-19.3	0	0	0	110.9	L337 E338 V339	D335-L337 PolarHBondContact O-N 2.74Å; D335-E338 PolarHBondContact O-N 3.09Å; D335-V339 WeakPolarHBondContact O-CG2 3.36Å; D335-V339 PolarHBondContact O-N 2.81Å
336	L	78.1	Confident	83.2	Confident	29 Å²	29	58.9 Å²	58.9	15%	0.152	31%	0.305	C	S	.	.	H	α-helix	trans	-65.4	-30.5	175.3	-67.4	168.6	0	0	0	112.2	L276 E277 D334 V339 A340	L276-L336 HydrophobicContact CB-CD2 4.28Å; L276-L336 WeakPolarHBondContact O-CD2 3.4Å; E277-L336 HydrophobicContact CB-CD2 4.41Å; E277-L336 HydrophobicContact CG-CD1 4.03Å; E277-L336 HydrophobicContact CG-CD2 3.98Å; D334-L336 PolarHBondContact O-N 3.17Å; D334-L336 VanDerWaalsContact OD1-CB 3.28Å; D334-L336 WeakPolarHBondContact OD1-CB 3.4Å; D334-L336 PolarHBondContact OD1-N 3.15Å; L336-V339 WeakPolarHBondContact O-CB 3.36Å; L336-A340 WeakPolarHBondContact O-CB 3.18Å; L336-A340 PolarHBondContact O-N 3.39Å
337	L	75.4	Confident	82.9	Confident	22 Å²	22	59 Å²	59	12%	0.115	31%	0.306	C	S	.	.	H	α-helix	trans	-71.5	-42.8	175.8	175.4	66.1	0	0	0	110.9	L327 D334 D335 V339 A340 M341 I368	L327-L337 HydrophobicContact CB-CD2 4.1Å; L327-L337 HydrophobicContact CD1-CD1 3.18Å; L327-L337 HydrophobicContact CD1-CD2 3.55Å; L327-L337 HydrophobicContact CD1-CG 3.94Å; L327-L337 HydrophobicContact CD2-CD1 4.13Å; L327-L337 HydrophobicContact CD2-CD2 3.78Å; L327-L337 HydrophobicContact CD2-CG 4.4Å; L327-L337 HydrophobicContact CG-CD1 4.21Å; L327-L337 HydrophobicContact CG-CD2 3.97Å; D334-L337 HydrophobicContact CB-CB 3.99Å; D334-L337 WeakPolarHBondContact O-CA 3.42Å; D334-L337 VanDerWaalsContact O-CB 3.25Å; D334-L337 WeakPolarHBondContact O-CB 3.46Å; D334-L337 PolarHBondContact O-N 3.47Å; D335-L337 PolarHBondContact O-N 2.74Å; L337-V339 PolarHBondContact O-N 3.33Å; L337-A340 PolarHBondContact O-N 2.94Å; L337-A340 VanDerWaalsContact O-N 3.1Å; L337-M341 HydrophobicContact CD1-CG 4.14Å; L337-M341 HydrophobicContact CD1-SD 4.5Å; L337-M341 HydrophobicContact CD2-CE 4.36Å; L337-M341 HydrophobicContact CG-CE 4.03Å; L337-M341 HydrophobicContact CG-CG 4.32Å; L337-M341 HydrophobicContact CG-SD 4.25Å; L337-M341 WeakPolarHBondContact O-CG 3.3Å; L337-M341 PolarHBondContact O-N 3.07Å; L337-I368 HydrophobicContact CD1-CG2 3.85Å
338	E	81.5	Confident	82.9	Confident	93 Å²	93	62.3 Å²	62.3	44%	0.435	32%	0.323	S	S	.	.	H	α-helix	trans	-58.5	-41	174.4	-64.4	-169.7	176.4	0	0	110.4	V282 D334 D335 M341 E342	V282-E338 HydrophobicContact CG2-CB 3.83Å; D334-E338 PolarHBondContact O-N 3.44Å; D335-E338 PolarHBondContact O-N 3.09Å; E338-M341 HydrophobicContact CG-CE 4.26Å; E338-M341 PolarHBondContact O-N 3.11Å; E338-E342 WeakPolarHBondContact O-CB 3.45Å; E338-E342 PolarHBondContact O-N 2.86Å
339	V	87.9	Confident	83.1	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-59.5	-47.2	172.2	173.3	0	0	0	0	112.1	L276 I279 S281 V282 I285 D335 L336 L337 E342 L343	L276-V339 HydrophobicContact CD2-CG1 3.92Å; I279-V339 HydrophobicContact CB-CG1 3.99Å; I279-V339 HydrophobicContact CG2-CG1 3.56Å; I279-V339 HydrophobicContact CG2-CG2 4.41Å; S281-V339 VanDerWaalsContact CA-CG2 3.44Å; V282-V339 HydrophobicContact CG2-CG2 4.34Å; I285-V339 HydrophobicContact CD1-CG1 4.22Å; I285-V339 HydrophobicContact CG1-CG1 4.25Å; D335-V339 WeakPolarHBondContact O-CG2 3.36Å; D335-V339 PolarHBondContact O-N 2.81Å; L336-V339 WeakPolarHBondContact O-CB 3.36Å; L337-V339 PolarHBondContact O-N 3.33Å; V339-E342 PolarHBondContact O-N 2.81Å; V339-L343 HydrophobicContact CG1-CD1 3.77Å; V339-L343 HydrophobicContact CG1-CG 4.41Å; V339-L343 WeakPolarHBondContact O-CB 3.43Å; V339-L343 VanDerWaalsContact O-CG 3.3Å; V339-L343 WeakPolarHBondContact O-CG 3.5Å; V339-L343 PolarHBondContact O-N 2.91Å
340	A	85.9	Confident	83	Confident	2 Å²	2	56.3 Å²	56.3	2%	0.017	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-44.5	-179.9	0	0	0	0	0	112.6	L276 L336 L337 E342 L343 E344 F364 I368	L276-A340 HydrophobicContact CD1-CB 4.15Å; L276-A340 HydrophobicContact CD2-CB 4.1Å; L336-A340 WeakPolarHBondContact O-CB 3.18Å; L336-A340 PolarHBondContact O-N 3.39Å; L337-A340 PolarHBondContact O-N 2.94Å; L337-A340 VanDerWaalsContact O-N 3.1Å; A340-E342 VanDerWaalsContact C-N 3.35Å; A340-E342 PolarHBondContact O-N 2.92Å; A340-L343 PolarHBondContact O-N 3.48Å; A340-E344 WeakPolarHBondContact O-CB 3.48Å; A340-E344 PolarHBondContact O-N 2.93Å; A340-F364 HydrophobicContact CB-CE1 4.41Å; A340-F364 HydrophobicContact CB-CE2 4.42Å; A340-F364 HydrophobicContact CB-CZ 3.75Å; A340-F364 WeakPolarHBondContact O-CZ 3.37Å; A340-I368 HydrophobicContact CB-CD1 3.49Å; A340-I368 VanDerWaalsContact CB-CD1 3.49Å; A340-I368 HydrophobicContact CB-CG1 4.12Å
341	M	83.1	Confident	83.2	Confident	80 Å²	80	58.3 Å²	58.3	39%	0.394	32%	0.318	S	S	.	.	H	α-helix	trans	-63.4	-40.9	178.1	-69.1	-175.4	-59.7	0	0	111.7	L337 E338 E344 N345	L337-M341 HydrophobicContact CD1-CG 4.14Å; L337-M341 HydrophobicContact CD1-SD 4.5Å; L337-M341 HydrophobicContact CD2-CE 4.36Å; L337-M341 HydrophobicContact CG-CE 4.03Å; L337-M341 HydrophobicContact CG-CG 4.32Å; L337-M341 HydrophobicContact CG-SD 4.25Å; L337-M341 WeakPolarHBondContact O-CG 3.3Å; L337-M341 PolarHBondContact O-N 3.07Å; E338-M341 HydrophobicContact CG-CE 4.26Å; E338-M341 PolarHBondContact O-N 3.11Å; M341-E344 WeakPolarHBondContact O-CB 3.22Å; M341-E344 PolarHBondContact O-N 2.86Å; M341-N345 WeakPolarHBondContact O-CB 3.11Å; M341-N345 PolarHBondContact O-N 2.9Å
342	E	89.9	Confident	83.8	Confident	72 Å²	72	58.1 Å²	58.1	34%	0.336	30%	0.298	S	S	.	.	H	α-helix	trans	-71	-36.8	177.9	-174.6	59.7	-150.7	0	0	111.8	V282 I285 E338 V339 A340 N345 I346	V282-E342 HydrophobicContact CG1-CB 4.4Å; V282-E342 HydrophobicContact CG1-CG 4.12Å; I285-E342 HydrophobicContact CD1-CB 3.52Å; I285-E342 HydrophobicContact CD1-CG 3.6Å; E338-E342 WeakPolarHBondContact O-CB 3.45Å; E338-E342 PolarHBondContact O-N 2.86Å; V339-E342 PolarHBondContact O-N 2.81Å; A340-E342 VanDerWaalsContact C-N 3.35Å; A340-E342 PolarHBondContact O-N 2.92Å; E342-N345 WeakPolarHBondContact O-CB 3.39Å; E342-N345 PolarHBondContact O-N 3.17Å; E342-N345 PolarHBondContact OE1-ND2 2.93Å; E342-I346 HydrophobicContact CG-CD1 4.19Å; E342-I346 VanDerWaalsContact O-CG1 3.3Å; E342-I346 WeakPolarHBondContact O-CG1 3.14Å; E342-I346 PolarHBondContact O-N 2.89Å
343	L	90.3	Very high	85.1	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-39.1	172.5	-75.5	168.2	0	0	0	112.8	M275 L276 I279 I285 V289 F304 V339 A340 I346 A347	M275-L343 HydrophobicContact CE-CD1 4.44Å; L276-L343 HydrophobicContact CD2-CD1 3.41Å; L276-L343 VanDerWaalsContact CD2-CD1 3.41Å; I279-L343 HydrophobicContact CD1-CD1 3.56Å; I279-L343 HydrophobicContact CD1-CD2 4.24Å; I279-L343 HydrophobicContact CD1-CG 4.45Å; I285-L343 HydrophobicContact CD1-CG 4.21Å; I285-L343 HydrophobicContact CG1-CD2 4.37Å; I285-L343 HydrophobicContact CG1-CG 4.3Å; I285-L343 HydrophobicContact CG2-CD2 3.74Å; I285-L343 HydrophobicContact CG2-CG 4.37Å; V289-L343 HydrophobicContact CG2-CD2 4.42Å; F304-L343 HydrophobicContact CZ-CB 4.18Å; V339-L343 HydrophobicContact CG1-CD1 3.77Å; V339-L343 HydrophobicContact CG1-CG 4.41Å; V339-L343 WeakPolarHBondContact O-CB 3.43Å; V339-L343 VanDerWaalsContact O-CG 3.3Å; V339-L343 WeakPolarHBondContact O-CG 3.5Å; V339-L343 PolarHBondContact O-N 2.91Å; A340-L343 PolarHBondContact O-N 3.48Å; L343-I346 PolarHBondContact O-N 3.33Å; L343-A347 VanDerWaalsContact O-CB 3.29Å; L343-A347 WeakPolarHBondContact O-CB 3.49Å; L343-A347 PolarHBondContact O-N 2.85Å
344	E	89.1	Confident	86.4	Confident	19 Å²	19	50.5 Å²	50.5	9%	0.089	26%	0.262	C	S	.	.	H	α-helix	trans	-56.8	-52.8	170.5	171	-174.1	-115.3	0	0	109.6	R320 A340 M341 I346 A347 L348 P360 F364 Y365	R320-E344 WeakPolarHBondContact CD-OE1 3.41Å; R320-E344 IonicContact CZ-OE1 3.51Å; R320-E344 IonicContact CZ-OE2 3.57Å; R320-E344 IonicContact NE-OE1 2.94Å; R320-E344 PolarHBondContact NE-OE1 3.15Å; R320-E344 IonicContact NE-OE2 3.5Å; R320-E344 IonicContact NH2-OE1 3.74Å; R320-E344 PolarHBondContact NH2-OE1 2.89Å; R320-E344 IonicContact NH2-OE2 2.83Å; R320-E344 PolarHBondContact NH2-OE2 2.73Å; A340-E344 WeakPolarHBondContact O-CB 3.48Å; A340-E344 PolarHBondContact O-N 2.93Å; M341-E344 WeakPolarHBondContact O-CB 3.22Å; M341-E344 PolarHBondContact O-N 2.86Å; E344-I346 VanDerWaalsContact C-N 3.31Å; E344-I346 PolarHBondContact O-N 3.25Å; E344-A347 PolarHBondContact O-N 3.19Å; E344-L348 HydrophobicContact CG-CD1 3.84Å; E344-L348 HydrophobicContact CG-CG 4.45Å; E344-L348 VanDerWaalsContact O-CG 3.31Å; E344-L348 WeakPolarHBondContact O-CG 3.3Å; E344-L348 PolarHBondContact O-N 2.61Å; E344-P360 HydrophobicContact CB-CG 4.35Å; E344-P360 HydrophobicContact CG-CG 4.14Å; E344-F364 HydrophobicContact CB-CE1 4.38Å; E344-Y365 WeakPolarHBondContact OE1-CE1 3.46Å; E344-Y365 PolarHBondContact OE1-OH 2.86Å
345	N	90.8	Very high	87.5	Confident	71 Å²	71	55.3 Å²	55.3	38%	0.38	28%	0.283	S	S	.	.	H	α-helix	trans	-56.5	-44.6	180	178.2	57.4	0	0	0	111.9	M341 E342 L348 N349	M341-N345 WeakPolarHBondContact O-CB 3.11Å; M341-N345 PolarHBondContact O-N 2.9Å; E342-N345 WeakPolarHBondContact O-CB 3.39Å; E342-N345 PolarHBondContact O-N 3.17Å; E342-N345 PolarHBondContact OE1-ND2 2.93Å; N345-L348 PolarHBondContact O-N 3.18Å; N345-N349 WeakPolarHBondContact O-CB 3.4Å; N345-N349 PolarHBondContact O-N 3.48Å; N345-N349 VanDerWaalsContact O-N 3.12Å; N345-N349 PolarHBondContact O-ND2 3.49Å; N345-N349 PolarHBondContact OD1-ND2 3.5Å
346	I	90.9	Very high	88.3	Confident	30 Å²	30	55.2 Å²	55.2	15%	0.154	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-47.8	176.7	-70	170.1	0	0	0	110.8	I285 V289 E342 L343 E344 L348 N349 D350 F353	I285-I346 HydrophobicContact CG2-CD1 3.23Å; V289-I346 HydrophobicContact CG1-CG2 4.35Å; V289-I346 HydrophobicContact CG2-CD1 4.11Å; V289-I346 HydrophobicContact CG2-CG2 3.95Å; E342-I346 HydrophobicContact CG-CD1 4.19Å; E342-I346 VanDerWaalsContact O-CG1 3.3Å; E342-I346 WeakPolarHBondContact O-CG1 3.14Å; E342-I346 PolarHBondContact O-N 2.89Å; L343-I346 PolarHBondContact O-N 3.33Å; E344-I346 VanDerWaalsContact C-N 3.31Å; E344-I346 PolarHBondContact O-N 3.25Å; I346-L348 PolarHBondContact O-N 2.97Å; I346-N349 PolarHBondContact O-N 3.02Å; I346-D350 HydrophobicContact CG2-CB 3.92Å; I346-D350 WeakPolarHBondContact O-CB 3.32Å; I346-D350 PolarHBondContact O-N 2.8Å; I346-F353 HydrophobicContact CG2-CD2 4.3Å; I346-F353 HydrophobicContact CG2-CE2 3.97Å
347	A	88.3	Confident	88.8	Confident	3 Å²	3	58.4 Å²	58.4	3%	0.025	29%	0.29	C	S	.	.	H	α-helix	trans	-62.8	-29.3	-177.3	0	0	0	0	0	113.1	F304 L343 E344 F353	F304-A347 HydrophobicContact CD1-CB 3.58Å; F304-A347 HydrophobicContact CE1-CB 3.28Å; F304-A347 HydrophobicContact CZ-CB 4.4Å; L343-A347 VanDerWaalsContact O-CB 3.29Å; L343-A347 WeakPolarHBondContact O-CB 3.49Å; L343-A347 PolarHBondContact O-N 2.85Å; E344-A347 PolarHBondContact O-N 3.19Å; A347-F353 HydrophobicContact CB-CB 4.48Å; A347-F353 WeakPolarHBondContact O-CB 3.25Å
348	L	88.4	Confident	89.5	Confident	86 Å²	86	59.5 Å²	59.5	45%	0.45	30%	0.296	S	S	.	.	H	α-helix	trans	-82.6	-26.2	177.2	-65.9	177.6	0	0	0	113.9	E344 N345 I346 I354	E344-L348 HydrophobicContact CG-CD1 3.84Å; E344-L348 HydrophobicContact CG-CG 4.45Å; E344-L348 VanDerWaalsContact O-CG 3.31Å; E344-L348 WeakPolarHBondContact O-CG 3.3Å; E344-L348 PolarHBondContact O-N 2.61Å; N345-L348 PolarHBondContact O-N 3.18Å; I346-L348 PolarHBondContact O-N 2.97Å; L348-I354 WeakPolarHBondContact O-CD1 3.37Å
349	N	93	Very high	89.9	Confident	108 Å²	108	56 Å²	56	58%	0.578	28%	0.279	S	S	*	.	H	α-helix	trans	-114.2	-19.9	-171.4	-66.8	-67.3	0	0	0	114.7	N345 I346	N345-N349 WeakPolarHBondContact O-CB 3.4Å; N345-N349 PolarHBondContact O-N 3.48Å; N345-N349 VanDerWaalsContact O-N 3.12Å; N345-N349 PolarHBondContact O-ND2 3.49Å; N345-N349 PolarHBondContact OD1-ND2 3.5Å; I346-N349 PolarHBondContact O-N 3.02Å
350	D	93.1	Very high	90	Very high	35 Å²	35	56.3 Å²	56.3	19%	0.187	28%	0.281	C	S	.	.	S	Bend	trans	-81.7	125.8	-177.5	-179.1	-54.1	0	0	0	110.9	K293 I346 Y352 F353 I354	K293-D350 WeakPolarHBondContact CE-OD1 3.37Å; K293-D350 IonicContact NZ-OD1 2.74Å; K293-D350 PolarHBondContact NZ-OD1 3.35Å; K293-D350 IonicContact NZ-OD2 2.59Å; K293-D350 PolarHBondContact NZ-OD2 3.32Å; I346-D350 HydrophobicContact CG2-CB 3.92Å; I346-D350 WeakPolarHBondContact O-CB 3.32Å; I346-D350 PolarHBondContact O-N 2.8Å; D350-Y352 PolarHBondContact O-N 2.72Å; D350-Y352 WeakPolarHBondContact OD1-CB 3.46Å; D350-Y352 PolarHBondContact OD1-N 3.35Å; D350-F353 HydrophobicContact CB-CD2 3.72Å; D350-F353 HydrophobicContact CB-CE2 4.29Å; D350-F353 PolarHBondContact O-N 3.36Å; D350-I354 PolarHBondContact O-N 2.82Å; D350-I354 VanDerWaalsContact O-N 3.15Å
351	P	93.3	Very high	90.3	Very high	99 Å²	99	56.7 Å²	56.7	64%	0.643	28%	0.283	S	S	*	.	H	α-helix	trans	-53.6	-33.2	-173.5	-29.3	35	0	0	0	114.9	E355	P351-E355 VanDerWaalsContact O-CB 3.29Å; P351-E355 WeakPolarHBondContact O-CB 3.31Å; P351-E355 PolarHBondContact O-N 3.25Å
352	Y	91.9	Very high	90.7	Very high	62 Å²	62	52.9 Å²	52.9	24%	0.243	26%	0.264	C	S	.	.	H	α-helix	trans	-65.3	-45.2	179.4	175.3	-92.7	0	0	0	111.6	A292 K293 D350 E355 K356 L358	A292-Y352 PolarHBondContact O-OH 2.78Å; K293-Y352 HydrophobicContact CB-CD2 4.5Å; K293-Y352 HydrophobicContact CB-CE1 4.45Å; K293-Y352 HydrophobicContact CB-CE2 4.35Å; K293-Y352 HydrophobicContact CD-CD1 4.23Å; K293-Y352 HydrophobicContact CD-CD2 4.4Å; K293-Y352 HydrophobicContact CD-CG 3.97Å; K293-Y352 HydrophobicContact CG-CD1 3.56Å; K293-Y352 HydrophobicContact CG-CD2 4.01Å; K293-Y352 HydrophobicContact CG-CE1 3.76Å; K293-Y352 HydrophobicContact CG-CE2 4.2Å; K293-Y352 HydrophobicContact CG-CG 3.68Å; D350-Y352 PolarHBondContact O-N 2.72Å; D350-Y352 WeakPolarHBondContact OD1-CB 3.46Å; D350-Y352 PolarHBondContact OD1-N 3.35Å; Y352-E355 PolarHBondContact O-N 3.47Å; Y352-K356 HydrophobicContact CD1-CG 4.49Å; Y352-K356 HydrophobicContact CD2-CG 4.45Å; Y352-K356 HydrophobicContact CE1-CG 4.23Å; Y352-K356 HydrophobicContact CE2-CG 4.17Å; Y352-K356 WeakPolarHBondContact O-CB 3.28Å; Y352-K356 VanDerWaalsContact O-CG 3.27Å; Y352-K356 WeakPolarHBondContact O-CG 3.26Å; Y352-K356 PolarHBondContact O-N 3.47Å; Y352-L358 HydrophobicContact CE1-CD1 4.05Å
353	F	91.1	Very high	90.7	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-73.4	-35.5	-176.9	-63.3	-85.8	0	0	0	111	V289 L301 I346 A347 D350 K356 K357 L358	V289-F353 HydrophobicContact CG1-CE2 3.78Å; V289-F353 HydrophobicContact CG1-CZ 4.03Å; L301-F353 HydrophobicContact CD1-CD1 3.96Å; L301-F353 HydrophobicContact CD1-CE1 3.2Å; L301-F353 HydrophobicContact CD1-CZ 3.72Å; L301-F353 HydrophobicContact CG-CE1 4.06Å; I346-F353 HydrophobicContact CG2-CD2 4.3Å; I346-F353 HydrophobicContact CG2-CE2 3.97Å; A347-F353 HydrophobicContact CB-CB 4.48Å; A347-F353 WeakPolarHBondContact O-CB 3.25Å; D350-F353 HydrophobicContact CB-CD2 3.72Å; D350-F353 HydrophobicContact CB-CE2 4.29Å; D350-F353 PolarHBondContact O-N 3.36Å; F353-K356 CarbonylContact O-C 3.58Å; F353-K356 PolarHBondContact O-N 2.93Å; F353-K357 WeakPolarHBondContact O-CA 3.43Å; F353-K357 PolarHBondContact O-N 2.86Å; F353-L358 HydrophobicContact CB-CB 4.15Å; F353-L358 HydrophobicContact CD1-CB 3.75Å; F353-L358 HydrophobicContact CD1-CD1 3.66Å; F353-L358 HydrophobicContact CD1-CG 4.36Å; F353-L358 HydrophobicContact CE1-CD1 4.11Å; F353-L358 HydrophobicContact CG-CB 4.44Å; F353-L358 PolarHBondContact O-N 2.93Å
354	I	90.6	Very high	90.6	Very high	98 Å²	98	50.3 Å²	50.3	50%	0.503	25%	0.253	S	S	.	.	H	α-helix	trans	-61.9	-50.4	171.9	-61.3	170.3	0	0	0	110.6	L348 D350 K356 K357	L348-I354 WeakPolarHBondContact O-CD1 3.37Å; D350-I354 PolarHBondContact O-N 2.82Å; D350-I354 VanDerWaalsContact O-N 3.15Å; I354-K356 VanDerWaalsContact C-N 3.3Å; I354-K356 PolarHBondContact O-N 3.3Å; I354-K357 PolarHBondContact O-N 3.11Å; I354-K357 VanDerWaalsContact O-N 3.11Å
355	E	91.2	Very high	90.7	Very high	142 Å²	142	50.2 Å²	50.2	66%	0.664	25%	0.252	S	S	*	.	H	α-helix	trans	-61.5	-39.9	179.9	-170.1	-162.1	139.4	0	0	111.6	P351 Y352 K357	P351-E355 VanDerWaalsContact O-CB 3.29Å; P351-E355 WeakPolarHBondContact O-CB 3.31Å; P351-E355 PolarHBondContact O-N 3.25Å; Y352-E355 PolarHBondContact O-N 3.47Å; E355-K357 VanDerWaalsContact C-N 3.3Å
356	K	90	Very high	90.8	Very high	107 Å²	107	47 Å²	47	47%	0.465	23%	0.234	S	C	.	.	H	α-helix	trans	-83.9	-1.7	178.3	-63.2	-60.6	177.7	-158.4	0	114.1	Y352 F353 I354 L358	Y352-K356 HydrophobicContact CD1-CG 4.49Å; Y352-K356 HydrophobicContact CD2-CG 4.45Å; Y352-K356 HydrophobicContact CE1-CG 4.23Å; Y352-K356 HydrophobicContact CE2-CG 4.17Å; Y352-K356 WeakPolarHBondContact O-CB 3.28Å; Y352-K356 VanDerWaalsContact O-CG 3.27Å; Y352-K356 WeakPolarHBondContact O-CG 3.26Å; Y352-K356 PolarHBondContact O-N 3.47Å; F353-K356 CarbonylContact O-C 3.58Å; F353-K356 PolarHBondContact O-N 2.93Å; I354-K356 VanDerWaalsContact C-N 3.3Å; I354-K356 PolarHBondContact O-N 3.3Å; K356-L358 VanDerWaalsContact C-N 3.27Å; K356-L358 HydrophobicContact CB-CD1 3.85Å; K356-L358 HydrophobicContact CB-CG 3.76Å; K356-L358 PolarHBondContact O-N 2.85Å
357	K	89.7	Confident	90.7	Very high	95 Å²	95	45.6 Å²	45.6	41%	0.413	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	43	-177	-48	-160.1	179.8	-159.6	0	113.2	K310 N311 F353 I354 E355 Y359	K310-K357 WeakPolarHBondContact O-CB 3.37Å; K310-K357 WeakPolarHBondContact O-CD 3.45Å; N311-K357 PolarHBondContact OD1-NZ 2.91Å; F353-K357 WeakPolarHBondContact O-CA 3.43Å; F353-K357 PolarHBondContact O-N 2.86Å; I354-K357 PolarHBondContact O-N 3.11Å; I354-K357 VanDerWaalsContact O-N 3.11Å; E355-K357 VanDerWaalsContact C-N 3.3Å; K357-Y359 WeakPolarHBondContact O-CD1 3.44Å; K357-Y359 WeakPolarHBondContact O-CE1 3.4Å; K357-Y359 PolarHBondContact O-N 3.28Å
358	L	89.6	Confident	90.7	Very high	46 Å²	46	46.1 Å²	46.1	24%	0.241	23%	0.23	C	C	.	.			trans	-92.4	66.1	179.4	-65.6	176.5	0	0	0	110.1	F304 Y352 F353 K356	F304-L358 HydrophobicContact CB-CB 4.35Å; F304-L358 WeakPolarHBondContact CD1-O 3.46Å; Y352-L358 HydrophobicContact CE1-CD1 4.05Å; F353-L358 HydrophobicContact CB-CB 4.15Å; F353-L358 HydrophobicContact CD1-CB 3.75Å; F353-L358 HydrophobicContact CD1-CD1 3.66Å; F353-L358 HydrophobicContact CD1-CG 4.36Å; F353-L358 HydrophobicContact CE1-CD1 4.11Å; F353-L358 HydrophobicContact CG-CB 4.44Å; F353-L358 PolarHBondContact O-N 2.93Å; K356-L358 VanDerWaalsContact C-N 3.27Å; K356-L358 HydrophobicContact CB-CD1 3.85Å; K356-L358 HydrophobicContact CB-CG 3.76Å; K356-L358 PolarHBondContact O-N 2.85Å
359	Y	89	Confident	90.9	Very high	19 Å²	19	42 Å²	42	8%	0.075	21%	0.209	C	C	.	.			trans	-85.8	153.8	176	54.8	-94.3	0	0	0	111.3	F304 G305 H306 Y309 N311 Y312 D313 K357 N361	F304-Y359 CarbonylContact C-O 3.56Å; F304-Y359 VanDerWaalsContact CA-O 3.31Å; F304-Y359 WeakPolarHBondContact CA-O 3.19Å; G305-Y359 PolarHBondContact N-O 3.2Å; H306-Y359 HydrophobicContact CB-CE2 4.43Å; H306-Y359 WeakPolarHBondContact CB-OH 3.42Å; Y309-Y359 VanDerWaalsContact C-OH 3.27Å; Y309-Y359 VanDerWaalsContact CB-OH 3.26Å; Y309-Y359 WeakPolarHBondContact CB-OH 3.45Å; Y309-Y359 PolarHBondContact O-OH 3.46Å; N311-Y359 WeakPolarHBondContact O-CD1 3.15Å; N311-Y359 WeakPolarHBondContact O-CE1 3.43Å; Y312-Y359 VanDerWaalsContact C-CE2 3.49Å; Y312-Y359 VanDerWaalsContact CA-CE2 3.46Å; D313-Y359 HydrophobicContact CB-CE2 4.03Å; K357-Y359 WeakPolarHBondContact O-CD1 3.44Å; K357-Y359 WeakPolarHBondContact O-CE1 3.4Å; K357-Y359 PolarHBondContact O-N 3.28Å; Y359-N361 PolarHBondContact O-N 2.99Å
360	P	91.2	Very high	91	Very high	6 Å²	6	37 Å²	37	4%	0.039	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-62.3	129.8	173.9	-12.7	22.8	0	0	0	111.6	F304 E344 F364 Y365	F304-P360 HydrophobicContact CD1-CB 4.47Å; F304-P360 HydrophobicContact CD1-CG 4.24Å; F304-P360 HydrophobicContact CE1-CB 4.16Å; F304-P360 HydrophobicContact CE1-CG 3.75Å; E344-P360 HydrophobicContact CB-CG 4.35Å; E344-P360 HydrophobicContact CG-CG 4.14Å; P360-F364 HydrophobicContact CB-CB 4.2Å; P360-F364 HydrophobicContact CB-CD1 3.73Å; P360-F364 HydrophobicContact CB-CE1 4.31Å; P360-F364 HydrophobicContact CB-CG 4.03Å; P360-Y365 HydrophobicContact CB-CE2 3.84Å
361	N	91.5	Very high	90.9	Very high	11 Å²	11	38.6 Å²	38.6	6%	0.059	19%	0.187	C	C	.	.			trans	-99.9	-176.9	178.3	69.4	31.2	0	0	0	111.9	G303 G305 D313 Y359 D363 F364 Y365	G303-N361 VanDerWaalsContact O-CG 3.26Å; G303-N361 PolarHBondContact O-N 3.11Å; G303-N361 PolarHBondContact O-ND2 2.96Å; G303-N361 PolarHBondContact O-OD1 3.05Å; G305-N361 PolarHBondContact O-ND2 3.49Å; D313-N361 HydrophobicContact CB-CB 4.17Å; Y359-N361 PolarHBondContact O-N 2.99Å; N361-D363 PolarHBondContact O-N 3.32Å; N361-D363 VanDerWaalsContact OD1-CB 3.31Å; N361-D363 WeakPolarHBondContact OD1-CB 3.23Å; N361-D363 PolarHBondContact OD1-N 2.87Å; N361-F364 WeakPolarHBondContact O-CB 3.28Å; N361-F364 PolarHBondContact O-N 3.42Å; N361-F364 PolarHBondContact OD1-N 2.73Å; N361-Y365 WeakPolarHBondContact O-CD2 3.43Å
362	V	92	Very high	90.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.4	-30.7	-178.4	73.8	0	0	0	0	113.9	L226 D313 R315 M319 F364 S366	L226-V362 HydrophobicContact CB-CG2 4.41Å; D313-V362 PolarHBondContact OD2-N 3.24Å; D313-V362 VanDerWaalsContact OD2-N 3.13Å; R315-V362 HydrophobicContact CB-CB 3.91Å; R315-V362 HydrophobicContact CB-CG2 3.83Å; M319-V362 HydrophobicContact CB-CG2 4.22Å; M319-V362 HydrophobicContact CE-CG2 3.57Å; M319-V362 HydrophobicContact CG-CG2 4.23Å; V362-F364 VanDerWaalsContact C-N 3.29Å; V362-F364 PolarHBondContact O-N 3.12Å; V362-S366 VanDerWaalsContact O-CB 3.32Å; V362-S366 WeakPolarHBondContact O-CB 3.45Å; V362-S366 PolarHBondContact O-N 2.85Å; V362-S366 PolarHBondContact O-OG 3.16Å
363	D	89	Confident	90.8	Very high	15 Å²	15	32.9 Å²	32.9	8%	0.08	16%	0.158	C	C	.	.	H	α-helix	trans	-69.2	-31.1	-177.8	-66.5	-46.5	0	0	0	111.5	H227 N269 N361 S366 G367	H227-D363 IonicContact NE2-OD1 2.75Å; N269-D363 HydrophobicContact CB-CB 4.05Å; N361-D363 PolarHBondContact O-N 3.32Å; N361-D363 VanDerWaalsContact OD1-CB 3.31Å; N361-D363 WeakPolarHBondContact OD1-CB 3.23Å; N361-D363 PolarHBondContact OD1-N 2.87Å; D363-S366 VanDerWaalsContact CA-OG 3.31Å; D363-S366 WeakPolarHBondContact CA-OG 3.2Å; D363-S366 PolarHBondContact O-OG 3.29Å; D363-G367 PolarHBondContact O-N 3.46Å
364	F	89.9	Confident	90.9	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.018	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-57	175.7	-179	-101.2	0	0	0	111.4	L276 F304 A340 E344 P360 N361 V362 G367 I368	L276-F364 HydrophobicContact CD1-CE2 4.43Å; L276-F364 HydrophobicContact CD2-CE2 4.24Å; F304-F364 AromaticContact CE2-CD2 3.77Å; F304-F364 HydrophobicContact CE2-CD2 3.77Å; F304-F364 AromaticContact CE2-CE2 3.77Å; F304-F364 HydrophobicContact CE2-CE2 3.77Å; F304-F364 AromaticContact CZ-CD2 3.96Å; F304-F364 HydrophobicContact CZ-CD2 3.96Å; F304-F364 AromaticContact CZ-CE2 3.68Å; F304-F364 HydrophobicContact CZ-CE2 3.68Å; F304-F364 HydrophobicContact CZ-CZ 4.18Å; A340-F364 HydrophobicContact CB-CE1 4.41Å; A340-F364 HydrophobicContact CB-CE2 4.42Å; A340-F364 HydrophobicContact CB-CZ 3.75Å; A340-F364 WeakPolarHBondContact O-CZ 3.37Å; E344-F364 HydrophobicContact CB-CE1 4.38Å; P360-F364 HydrophobicContact CB-CB 4.2Å; P360-F364 HydrophobicContact CB-CD1 3.73Å; P360-F364 HydrophobicContact CB-CE1 4.31Å; P360-F364 HydrophobicContact CB-CG 4.03Å; N361-F364 WeakPolarHBondContact O-CB 3.28Å; N361-F364 PolarHBondContact O-N 3.42Å; N361-F364 PolarHBondContact OD1-N 2.73Å; V362-F364 VanDerWaalsContact C-N 3.29Å; V362-F364 PolarHBondContact O-N 3.12Å; F364-G367 PolarHBondContact O-N 3.04Å; F364-I368 HydrophobicContact CD1-CD1 3.98Å; F364-I368 HydrophobicContact CE1-CD1 3.65Å; F364-I368 HydrophobicContact CZ-CD1 3.95Å; F364-I368 WeakPolarHBondContact O-CG1 3.4Å; F364-I368 PolarHBondContact O-N 3.25Å
365	Y	91.2	Very high	91.1	Very high	17 Å²	17	30.5 Å²	30.5	7%	0.067	16%	0.158	C	C	.	.	H	α-helix	trans	-69.7	-38.2	-177.9	-58	-75.4	0	0	0	112.6	A316 M319 R320 C323 E344 P360 N361 G367 I368 I369	A316-Y365 HydrophobicContact CB-CD2 4.07Å; A316-Y365 HydrophobicContact CB-CE2 3.86Å; M319-Y365 VanDerWaalsContact CG-CB 3.44Å; M319-Y365 HydrophobicContact CG-CG 4.5Å; R320-Y365 HydrophobicContact CB-CD1 3.95Å; R320-Y365 HydrophobicContact CB-CD2 4.43Å; R320-Y365 HydrophobicContact CB-CE1 3.69Å; R320-Y365 HydrophobicContact CB-CE2 4.22Å; R320-Y365 HydrophobicContact CB-CG 4.3Å; R320-Y365 HydrophobicContact CG-CD1 4.15Å; R320-Y365 HydrophobicContact CG-CE1 3.56Å; C323-Y365 HydrophobicContact CB-CD1 4.37Å; E344-Y365 WeakPolarHBondContact OE1-CE1 3.46Å; E344-Y365 PolarHBondContact OE1-OH 2.86Å; P360-Y365 HydrophobicContact CB-CE2 3.84Å; N361-Y365 WeakPolarHBondContact O-CD2 3.43Å; Y365-G367 VanDerWaalsContact C-N 3.34Å; Y365-G367 PolarHBondContact O-N 3.48Å; Y365-I368 PolarHBondContact O-N 2.93Å; Y365-I369 WeakPolarHBondContact O-CG1 3.43Å; Y365-I369 PolarHBondContact O-N 3.3Å
366	S	91.8	Very high	91.2	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.014	14%	0.139	C	C	.	.	H	α-helix	trans	-64.4	-39.1	177.3	59.1	0	0	0	0	111.9	V362 D363 I368 I369 L370	V362-S366 VanDerWaalsContact O-CB 3.32Å; V362-S366 WeakPolarHBondContact O-CB 3.45Å; V362-S366 PolarHBondContact O-N 2.85Å; V362-S366 PolarHBondContact O-OG 3.16Å; D363-S366 VanDerWaalsContact CA-OG 3.31Å; D363-S366 WeakPolarHBondContact CA-OG 3.2Å; D363-S366 PolarHBondContact O-OG 3.29Å; S366-I368 VanDerWaalsContact C-N 3.32Å; S366-I368 PolarHBondContact O-N 2.95Å; S366-I369 PolarHBondContact O-N 3.09Å; S366-L370 WeakPolarHBondContact O-CB 3.32Å; S366-L370 WeakPolarHBondContact O-CG 3.36Å; S366-L370 PolarHBondContact O-N 3.44Å
367	G	89.3	Confident	91.3	Very high	2 Å²	2	21.9 Å²	21.9	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-58.5	-42.2	174.2	0	0	0	0	0	112.9	D363 F364 Y365 K371 F380	D363-G367 PolarHBondContact O-N 3.46Å; F364-G367 PolarHBondContact O-N 3.04Å; Y365-G367 VanDerWaalsContact C-N 3.34Å; Y365-G367 PolarHBondContact O-N 3.48Å; G367-K371 VanDerWaalsContact O-CB 3.31Å; G367-K371 WeakPolarHBondContact O-CB 3.28Å; G367-K371 PolarHBondContact O-N 3.31Å; G367-F380 WeakPolarHBondContact O-CZ 3.47Å
368	I	88.7	Confident	91.5	Very high	14 Å²	14	18.7 Å²	18.7	7%	0.072	12%	0.116	C	C	.	.	H	α-helix	trans	-65.8	-48	177.7	-61.4	161.9	0	0	0	110.9	L276 C323 L327 L337 A340 F364 Y365 S366 L370 K371 A372	L276-I368 HydrophobicContact CD1-CG1 4.2Å; C323-I368 VanDerWaalsContact SG-CG2 3.56Å; L327-I368 HydrophobicContact CD1-CG2 4.32Å; L327-I368 HydrophobicContact CD2-CG2 4.36Å; L337-I368 HydrophobicContact CD1-CG2 3.85Å; A340-I368 HydrophobicContact CB-CD1 3.49Å; A340-I368 VanDerWaalsContact CB-CD1 3.49Å; A340-I368 HydrophobicContact CB-CG1 4.12Å; F364-I368 HydrophobicContact CD1-CD1 3.98Å; F364-I368 HydrophobicContact CE1-CD1 3.65Å; F364-I368 HydrophobicContact CZ-CD1 3.95Å; F364-I368 WeakPolarHBondContact O-CG1 3.4Å; F364-I368 PolarHBondContact O-N 3.25Å; Y365-I368 PolarHBondContact O-N 2.93Å; S366-I368 VanDerWaalsContact C-N 3.32Å; S366-I368 PolarHBondContact O-N 2.95Å; I368-L370 PolarHBondContact O-N 3.19Å; I368-K371 PolarHBondContact O-N 3.34Å; I368-A372 WeakPolarHBondContact O-CB 3.41Å; I368-A372 PolarHBondContact O-N 2.92Å
369	I	92.4	Very high	91.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.2	-49.4	178.5	-67.8	161	0	0	0	110.7	A219 I223 M319 T322 C323 V326 Y365 S366 K371 A372 M373	A219-I369 HydrophobicContact CB-CG2 4.25Å; I223-I369 HydrophobicContact CD1-CB 4.15Å; I223-I369 HydrophobicContact CD1-CG2 3.66Å; M319-I369 HydrophobicContact CG-CD1 3.98Å; M319-I369 HydrophobicContact SD-CD1 3.6Å; T322-I369 HydrophobicContact CG2-CD1 3.98Å; C323-I369 HydrophobicContact CB-CD1 3.99Å; C323-I369 HydrophobicContact CB-CG1 3.87Å; V326-I369 HydrophobicContact CG1-CG2 4.44Å; V326-I369 HydrophobicContact CG2-CG2 4.15Å; Y365-I369 WeakPolarHBondContact O-CG1 3.43Å; Y365-I369 PolarHBondContact O-N 3.3Å; S366-I369 PolarHBondContact O-N 3.09Å; I369-K371 VanDerWaalsContact C-N 3.33Å; I369-K371 PolarHBondContact O-N 2.65Å; I369-A372 PolarHBondContact O-N 3.16Å; I369-M373 HydrophobicContact CG2-CG 4.45Å; I369-M373 HydrophobicContact CG2-SD 3.79Å; I369-M373 VanDerWaalsContact O-CG 3.26Å; I369-M373 WeakPolarHBondContact O-CG 3.3Å; I369-M373 PolarHBondContact O-N 2.79Å
370	L	94	Very high	92.1	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-62.9	-41.4	-178.4	-66.8	174.3	0	0	0	111.2	M220 I223 S366 I368 M373 G374 I375 F380 I383	M220-L370 HydrophobicContact CE-CD2 3.79Å; I223-L370 HydrophobicContact CD1-CD2 3.74Å; I223-L370 HydrophobicContact CD1-CG 4.02Å; S366-L370 WeakPolarHBondContact O-CB 3.32Å; S366-L370 WeakPolarHBondContact O-CG 3.36Å; S366-L370 PolarHBondContact O-N 3.44Å; I368-L370 PolarHBondContact O-N 3.19Å; L370-M373 PolarHBondContact O-N 3.33Å; L370-G374 PolarHBondContact O-N 2.95Å; L370-I375 HydrophobicContact CB-CB 4.23Å; L370-I375 HydrophobicContact CB-CD1 4.42Å; L370-I375 HydrophobicContact CD2-CD1 3.52Å; L370-I375 VanDerWaalsContact O-CB 3.26Å; L370-I375 WeakPolarHBondContact O-CB 3.25Å; L370-I375 PolarHBondContact O-N 2.96Å; L370-F380 HydrophobicContact CB-CD1 3.82Å; L370-F380 HydrophobicContact CB-CE1 3.36Å; L370-F380 HydrophobicContact CB-CZ 3.77Å; L370-F380 HydrophobicContact CD1-CB 4.2Å; L370-F380 HydrophobicContact CD1-CD1 3.65Å; L370-F380 HydrophobicContact CD1-CE1 4.1Å; L370-F380 HydrophobicContact CD1-CG 3.89Å; L370-F380 HydrophobicContact CG-CD1 4.38Å; L370-F380 HydrophobicContact CG-CE1 4.38Å; L370-I383 HydrophobicContact CD1-CD1 4.46Å; L370-I383 HydrophobicContact CD2-CD1 3.82Å
371	K	90.5	Very high	92.2	Very high	68 Å²	68	15.4 Å²	15.4	30%	0.296	10%	0.099	S	C	.	.	H	α-helix	trans	-61	-46.8	173.8	179.1	65	167.1	-154	0	111.7	L273 E277 G367 I368 I369 M373 G374 F380	L273-K371 HydrophobicContact CD1-CB 3.86Å; L273-K371 HydrophobicContact CD1-CD 4.36Å; L273-K371 HydrophobicContact CD1-CG 3.96Å; L273-K371 HydrophobicContact CD2-CB 4.47Å; L273-K371 HydrophobicContact CD2-CD 4.02Å; L273-K371 HydrophobicContact CD2-CG 4.48Å; E277-K371 IonicContact OE1-NZ 3.54Å; E277-K371 PolarHBondContact OE1-NZ 3.46Å; G367-K371 VanDerWaalsContact O-CB 3.31Å; G367-K371 WeakPolarHBondContact O-CB 3.28Å; G367-K371 PolarHBondContact O-N 3.31Å; I368-K371 PolarHBondContact O-N 3.34Å; I369-K371 VanDerWaalsContact C-N 3.33Å; I369-K371 PolarHBondContact O-N 2.65Å; K371-M373 PolarHBondContact O-N 2.73Å; K371-G374 WeakPolarHBondContact O-CA 3.26Å; K371-G374 PolarHBondContact O-N 3.4Å; K371-F380 HydrophobicContact CB-CZ 4.31Å
372	A	90.2	Very high	92.5	Very high	24 Å²	24	14.9 Å²	14.9	20%	0.198	10%	0.096	C	C	.	.	H	α-helix	trans	-60	-34.7	178.4	0	0	0	0	0	111.9	V326 L327 L330 I368 I369 G374	V326-A372 HydrophobicContact CG1-CB 4.16Å; L327-A372 HydrophobicContact CD2-CB 3.85Å; L330-A372 HydrophobicContact CD1-CB 3.94Å; L330-A372 VanDerWaalsContact CD1-O 3.24Å; L330-A372 WeakPolarHBondContact CD1-O 3.48Å; I368-A372 WeakPolarHBondContact O-CB 3.41Å; I368-A372 PolarHBondContact O-N 2.92Å; I369-A372 PolarHBondContact O-N 3.16Å; A372-G374 PolarHBondContact O-N 3.15Å
373	M	93.6	Very high	92.8	Very high	17 Å²	17	15 Å²	15	8%	0.084	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	0.7	173.4	-65.6	174.3	68.6	0	0	114.3	L199 F203 L216 M220 I369 L370 K371 I375	L199-M373 HydrophobicContact CD1-CE 4.12Å; L199-M373 HydrophobicContact CD2-CE 3.3Å; L199-M373 HydrophobicContact CG-CE 4.35Å; F203-M373 WeakPolarHBondContact CZ-O 3.48Å; L216-M373 HydrophobicContact CB-CE 4.05Å; L216-M373 HydrophobicContact CD2-CG 4.1Å; M220-M373 HydrophobicContact CB-CE 4.38Å; M220-M373 HydrophobicContact CE-CE 3.88Å; M220-M373 HydrophobicContact CE-SD 4.32Å; I369-M373 HydrophobicContact CG2-CG 4.45Å; I369-M373 HydrophobicContact CG2-SD 3.79Å; I369-M373 VanDerWaalsContact O-CG 3.26Å; I369-M373 WeakPolarHBondContact O-CG 3.3Å; I369-M373 PolarHBondContact O-N 2.79Å; L370-M373 PolarHBondContact O-N 3.33Å; K371-M373 PolarHBondContact O-N 2.73Å; M373-I375 VanDerWaalsContact C-N 3.35Å; M373-I375 HydrophobicContact CB-CD1 4.26Å; M373-I375 HydrophobicContact CB-CG1 4.3Å
374	G	92.8	Very high	93.1	Very high	48 Å²	48	14.9 Å²	14.9	50%	0.495	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	16.9	-178.2	0	0	0	0	0	114.4	L370 K371 A372	L370-G374 PolarHBondContact O-N 2.95Å; K371-G374 WeakPolarHBondContact O-CA 3.26Å; K371-G374 PolarHBondContact O-N 3.4Å; A372-G374 PolarHBondContact O-N 3.15Å
375	I	95.5	Very high	93.5	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	10%	0.095	C	C	.	.			trans	-80.9	128.6	177	-60.2	171.8	0	0	0	108.5	M202 F203 M220 L370 M373 M379 F380 I383	M202-I375 HydrophobicContact CE-CG1 4.44Å; M202-I375 HydrophobicContact CE-CG2 4.37Å; F203-I375 HydrophobicContact CE1-CG1 4.44Å; F203-I375 HydrophobicContact CE2-CG1 4.33Å; F203-I375 HydrophobicContact CZ-CD1 4.27Å; F203-I375 HydrophobicContact CZ-CG1 3.55Å; M220-I375 HydrophobicContact CE-CD1 3.77Å; L370-I375 HydrophobicContact CB-CB 4.23Å; L370-I375 HydrophobicContact CB-CD1 4.42Å; L370-I375 HydrophobicContact CD2-CD1 3.52Å; L370-I375 VanDerWaalsContact O-CB 3.26Å; L370-I375 WeakPolarHBondContact O-CB 3.25Å; L370-I375 PolarHBondContact O-N 2.96Å; M373-I375 VanDerWaalsContact C-N 3.35Å; M373-I375 HydrophobicContact CB-CD1 4.26Å; M373-I375 HydrophobicContact CB-CG1 4.3Å; I375-M379 HydrophobicContact CG2-CB 3.68Å; I375-F380 HydrophobicContact CB-CE1 4.28Å; I375-F380 HydrophobicContact CG2-CD1 4.1Å; I375-F380 HydrophobicContact CG2-CE1 4.05Å; I375-F380 WeakPolarHBondContact O-CE1 3.41Å; I375-I383 HydrophobicContact CD1-CD1 3.82Å; I375-I383 HydrophobicContact CG2-CD1 3.83Å
376	P	93.5	Very high	93.9	Very high	42 Å²	42	14 Å²	14	27%	0.273	9%	0.092	S	C	.	.			trans	-69.8	148.4	177	30.2	-36.1	0	0	0	111.1	Y177 S378 M379 F380	Y177-P376 HydrophobicContact CD2-CG 3.93Å; Y177-P376 HydrophobicContact CE2-CG 3.68Å; P376-S378 PolarHBondContact O-N 2.83Å; P376-S378 VanDerWaalsContact O-N 3.12Å; P376-M379 HydrophobicContact CG-CB 4.26Å; P376-M379 HydrophobicContact CG-CG 3.95Å; P376-M379 WeakPolarHBondContact O-CB 3.31Å; P376-M379 PolarHBondContact O-N 3.42Å; P376-F380 WeakPolarHBondContact O-CD1 3.27Å; P376-F380 WeakPolarHBondContact O-CE1 3.39Å
377	S	91.5	Very high	94.2	Very high	26 Å²	26	13.9 Å²	13.9	18%	0.182	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-56.8	-31.2	-178.4	57.7	0	0	0	0	114	M379 F380	S377-M379 PolarHBondContact O-N 3.29Å; S377-M379 VanDerWaalsContact O-N 3.13Å; S377-F380 WeakPolarHBondContact O-CB 3.34Å; S377-F380 WeakPolarHBondContact O-CG 3.29Å; S377-F380 PolarHBondContact O-N 3.49Å
378	S	93.5	Very high	94.6	Very high	28 Å²	28	13.9 Å²	13.9	20%	0.196	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-64.6	-12.6	175.4	63.3	0	0	0	0	114.7	H130 P376	H130-S378 PolarHBondContact CE1-O 3.35Å; H130-S378 VanDerWaalsContact CE1-O 3.25Å; P376-S378 PolarHBondContact O-N 2.83Å; P376-S378 VanDerWaalsContact O-N 3.12Å
379	M	97	Very high	95.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-97.3	-8.9	174.2	-78.9	-63.7	-60	0	0	113.6	P131 A173 Y177 M202 I375 P376 S377 V382 I383	P131-M379 HydrophobicContact CB-CG 4.48Å; P131-M379 HydrophobicContact CB-SD 3.52Å; P131-M379 VanDerWaalsContact CB-SD 3.52Å; P131-M379 HydrophobicContact CG-CG 4.43Å; P131-M379 HydrophobicContact CG-SD 4.02Å; A173-M379 WeakPolarHBondContact O-CE 3.39Å; Y177-M379 HydrophobicContact CD2-CG 4.01Å; Y177-M379 HydrophobicContact CG-CG 4.45Å; M202-M379 HydrophobicContact CE-CE 4.08Å; M202-M379 HydrophobicContact SD-CE 4.05Å; I375-M379 HydrophobicContact CG2-CB 3.68Å; P376-M379 HydrophobicContact CG-CB 4.26Å; P376-M379 HydrophobicContact CG-CG 3.95Å; P376-M379 WeakPolarHBondContact O-CB 3.31Å; P376-M379 PolarHBondContact O-N 3.42Å; S377-M379 PolarHBondContact O-N 3.29Å; S377-M379 VanDerWaalsContact O-N 3.13Å; M379-V382 HydrophobicContact CE-CB 3.84Å; M379-V382 HydrophobicContact CE-CG1 3.69Å; M379-V382 HydrophobicContact CE-CG2 4.37Å; M379-V382 WeakPolarHBondContact O-CB 3.35Å; M379-V382 PolarHBondContact O-N 3.43Å; M379-V382 VanDerWaalsContact O-N 3.1Å; M379-V382 HydrophobicContact SD-CB 4.05Å; M379-V382 HydrophobicContact SD-CG1 4.23Å; M379-V382 HydrophobicContact SD-CG2 3.92Å; M379-I383 WeakPolarHBondContact O-CG1 3.33Å; M379-I383 PolarHBondContact O-N 3.24Å
380	F	94.5	Very high	95.4	Very high	1 Å²	1	13.3 Å²	13.3	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-64	-50.1	-172.8	-68	2.2	0	0	0	111.7	N269 L273 G367 L370 K371 I375 P376 S377 V382 I383 F384	N269-F380 HydrophobicContact CB-CB 4.34Å; N269-F380 HydrophobicContact CB-CD2 4.33Å; N269-F380 WeakPolarHBondContact ND2-CB 3.27Å; L273-F380 HydrophobicContact CB-CE2 3.96Å; L273-F380 HydrophobicContact CD2-CE2 3.83Å; L273-F380 HydrophobicContact CD2-CZ 3.89Å; L273-F380 HydrophobicContact CG-CE2 4.32Å; G367-F380 WeakPolarHBondContact O-CZ 3.47Å; L370-F380 HydrophobicContact CB-CD1 3.82Å; L370-F380 HydrophobicContact CB-CE1 3.36Å; L370-F380 HydrophobicContact CB-CZ 3.77Å; L370-F380 HydrophobicContact CD1-CB 4.2Å; L370-F380 HydrophobicContact CD1-CD1 3.65Å; L370-F380 HydrophobicContact CD1-CE1 4.1Å; L370-F380 HydrophobicContact CD1-CG 3.89Å; L370-F380 HydrophobicContact CG-CD1 4.38Å; L370-F380 HydrophobicContact CG-CE1 4.38Å; K371-F380 HydrophobicContact CB-CZ 4.31Å; I375-F380 HydrophobicContact CB-CE1 4.28Å; I375-F380 HydrophobicContact CG2-CD1 4.1Å; I375-F380 HydrophobicContact CG2-CE1 4.05Å; I375-F380 WeakPolarHBondContact O-CE1 3.41Å; P376-F380 WeakPolarHBondContact O-CD1 3.27Å; P376-F380 WeakPolarHBondContact O-CE1 3.39Å; S377-F380 WeakPolarHBondContact O-CB 3.34Å; S377-F380 WeakPolarHBondContact O-CG 3.29Å; S377-F380 PolarHBondContact O-N 3.49Å; F380-V382 PolarHBondContact O-N 3.44Å; F380-I383 PolarHBondContact O-N 2.68Å; F380-F384 PolarHBondContact O-N 2.9Å
381	T	94.1	Very high	95.7	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.006	9%	0.087	C	C	.	.	H	α-helix	trans	-67.3	-23.9	175.3	-41.9	0	0	0	0	112.4	M132 L260 G266 N269 A385	M132-T381 HydrophobicContact CE-CG2 3.79Å; M132-T381 HydrophobicContact CG-CG2 4.47Å; M132-T381 VanDerWaalsContact SD-C 3.51Å; M132-T381 HydrophobicContact SD-CG2 4.1Å; L260-T381 HydrophobicContact CD2-CG2 4.34Å; L260-T381 HydrophobicContact CG-CG2 4.11Å; G266-T381 WeakPolarHBondContact O-CG2 3.41Å; G266-T381 PolarHBondContact O-OG1 3.15Å; N269-T381 PolarHBondContact OD1-OG1 2.85Å; T381-A385 VanDerWaalsContact O-CB 3.3Å; T381-A385 WeakPolarHBondContact O-CB 3.45Å; T381-A385 PolarHBondContact O-N 2.99Å
382	V	97.5	Very high	96.1	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-68	-45.9	174.2	-178.6	0	0	0	0	110.5	P131 M132 M135 A173 M379 F380 F384 A385 M386	P131-V382 HydrophobicContact CB-CG2 3.88Å; M132-V382 HydrophobicContact CB-CG2 4.41Å; M132-V382 HydrophobicContact CG-CG2 3.64Å; M132-V382 VanDerWaalsContact SD-CA 3.52Å; M132-V382 HydrophobicContact SD-CB 4.07Å; M132-V382 HydrophobicContact SD-CG2 3.5Å; M132-V382 WeakPolarHBondContact SD-CG2 3.4Å; M132-V382 PolarHBondContact SD-N 3.08Å; M132-V382 VanDerWaalsContact SD-N 3.42Å; M135-V382 HydrophobicContact CG-CG1 4.3Å; M135-V382 HydrophobicContact SD-CG1 4.39Å; A173-V382 HydrophobicContact CB-CG1 3.69Å; M379-V382 HydrophobicContact CE-CB 3.84Å; M379-V382 HydrophobicContact CE-CG1 3.69Å; M379-V382 HydrophobicContact CE-CG2 4.37Å; M379-V382 WeakPolarHBondContact O-CB 3.35Å; M379-V382 PolarHBondContact O-N 3.43Å; M379-V382 VanDerWaalsContact O-N 3.1Å; M379-V382 HydrophobicContact SD-CB 4.05Å; M379-V382 HydrophobicContact SD-CG1 4.23Å; M379-V382 HydrophobicContact SD-CG2 3.92Å; F380-V382 PolarHBondContact O-N 3.44Å; V382-F384 VanDerWaalsContact C-N 3.32Å; V382-A385 PolarHBondContact O-N 3Å; V382-M386 WeakPolarHBondContact O-CB 3.13Å; V382-M386 PolarHBondContact O-N 3.39Å
383	I	98.2	Very high	96.5	Very high	1 Å²	1	9 Å²	9	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-64.7	-40.9	176.8	-67.6	169.1	0	0	0	110.1	F198 M220 I223 L224 L370 I375 M379 F380 M386 A387	F198-I383 HydrophobicContact CE1-CD1 4.08Å; F198-I383 HydrophobicContact CE1-CG1 3.96Å; F198-I383 HydrophobicContact CZ-CD1 4.24Å; F198-I383 HydrophobicContact CZ-CG1 3.81Å; M220-I383 HydrophobicContact CE-CD1 4.47Å; M220-I383 HydrophobicContact SD-CG2 4.22Å; I223-I383 HydrophobicContact CG2-CG2 4.1Å; L224-I383 HydrophobicContact CD2-CG2 4.33Å; L370-I383 HydrophobicContact CD1-CD1 4.46Å; L370-I383 HydrophobicContact CD2-CD1 3.82Å; I375-I383 HydrophobicContact CD1-CD1 3.82Å; I375-I383 HydrophobicContact CG2-CD1 3.83Å; M379-I383 WeakPolarHBondContact O-CG1 3.33Å; M379-I383 PolarHBondContact O-N 3.24Å; F380-I383 PolarHBondContact O-N 2.68Å; I383-M386 HydrophobicContact CG2-CE 4.24Å; I383-M386 WeakPolarHBondContact O-CB 3.46Å; I383-M386 PolarHBondContact O-N 2.9Å; I383-A387 PolarHBondContact O-N 2.59Å
384	F	96	Very high	96.7	Very high	14 Å²	14	8.3 Å²	8.3	6%	0.061	6%	0.062	C	C	.	.	H	α-helix	trans	-59.2	-51.5	172.4	-172.3	179	0	0	0	110.8	H227 L260 F380 V382 M386 A387 R388	H227-F384 HydrophobicContact CB-CD2 3.66Å; H227-F384 HydrophobicContact CB-CE2 3.83Å; H227-F384 AromaticContact CD2-CD2 3.47Å; H227-F384 VanDerWaalsContact CD2-CD2 3.47Å; H227-F384 WeakPolarHBondContact CD2-CD2 3.5Å; H227-F384 AromaticContact CD2-CE2 3.5Å; H227-F384 VanDerWaalsContact CD2-CE2 3.5Å; H227-F384 WeakPolarHBondContact CD2-CE2 3.45Å; H227-F384 AromaticContact CD2-CG 3.79Å; H227-F384 AromaticContact CD2-CZ 3.8Å; H227-F384 AromaticContact CG-CD2 3.85Å; L260-F384 HydrophobicContact CD1-CD1 4.18Å; L260-F384 HydrophobicContact CD1-CE1 3.86Å; L260-F384 HydrophobicContact CD1-CZ 4.03Å; L260-F384 HydrophobicContact CD2-CB 4.35Å; L260-F384 HydrophobicContact CD2-CD1 4.21Å; L260-F384 HydrophobicContact CD2-CD2 4.17Å; L260-F384 HydrophobicContact CD2-CG 3.97Å; F380-F384 PolarHBondContact O-N 2.9Å; V382-F384 VanDerWaalsContact C-N 3.32Å; F384-M386 VanDerWaalsContact C-N 3.27Å; F384-M386 PolarHBondContact O-N 2.99Å; F384-A387 PolarHBondContact O-N 2.98Å; F384-A387 VanDerWaalsContact O-N 3.15Å; F384-R388 HydrophobicContact CD2-CB 4.16Å; F384-R388 HydrophobicContact CE2-CB 4.08Å; F384-R388 VanDerWaalsContact CZ-NH2 3.28Å; F384-R388 WeakPolarHBondContact O-CB 3.49Å; F384-R388 PolarHBondContact O-N 2.66Å
385	A	97.9	Very high	97	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-58	-39.3	178.5	0	0	0	0	0	112.9	M132 I257 L260 T381 V382 T389 W392	M132-A385 HydrophobicContact CE-CB 4.5Å; I257-A385 HydrophobicContact CG1-CB 4.22Å; I257-A385 HydrophobicContact CG2-CB 4.28Å; L260-A385 HydrophobicContact CD2-CB 3.86Å; T381-A385 VanDerWaalsContact O-CB 3.3Å; T381-A385 WeakPolarHBondContact O-CB 3.45Å; T381-A385 PolarHBondContact O-N 2.99Å; V382-A385 PolarHBondContact O-N 3Å; A385-T389 PolarHBondContact O-N 3.29Å; A385-T389 VanDerWaalsContact O-N 3.15Å; A385-T389 PolarHBondContact O-OG1 2.93Å; A385-W392 HydrophobicContact CB-CH2 4.18Å; A385-W392 HydrophobicContact CB-CZ3 4.46Å
386	M	98.7	Very high	97.1	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-60.9	-49.1	175	175.3	-175.5	82.7	0	0	111.6	M169 P170 A173 F198 L224 V382 I383 F384 T389	M169-M386 HydrophobicContact CB-CG 4.1Å; P170-M386 WeakPolarHBondContact CA-SD 3.42Å; P170-M386 HydrophobicContact CB-CG 4.46Å; P170-M386 HydrophobicContact CB-SD 3.66Å; A173-M386 HydrophobicContact CB-SD 3.95Å; F198-M386 HydrophobicContact CD1-CE 3.9Å; F198-M386 HydrophobicContact CD2-CE 4.09Å; F198-M386 HydrophobicContact CD2-SD 3.8Å; F198-M386 HydrophobicContact CE1-CE 3.81Å; F198-M386 HydrophobicContact CE2-CE 4.01Å; F198-M386 HydrophobicContact CE2-SD 3.65Å; F198-M386 HydrophobicContact CG-CE 4.04Å; F198-M386 HydrophobicContact CG-SD 4.32Å; F198-M386 HydrophobicContact CZ-CE 3.88Å; F198-M386 HydrophobicContact CZ-SD 4.04Å; L224-M386 HydrophobicContact CD1-CE 4.48Å; L224-M386 HydrophobicContact CD2-CE 3.31Å; V382-M386 WeakPolarHBondContact O-CB 3.13Å; V382-M386 PolarHBondContact O-N 3.39Å; I383-M386 HydrophobicContact CG2-CE 4.24Å; I383-M386 WeakPolarHBondContact O-CB 3.46Å; I383-M386 PolarHBondContact O-N 2.9Å; F384-M386 VanDerWaalsContact C-N 3.27Å; F384-M386 PolarHBondContact O-N 2.99Å; M386-T389 WeakPolarHBondContact O-CB 3.35Å; M386-T389 PolarHBondContact O-N 2.97Å
387	A	98.7	Very high	97.3	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-63.1	-46.6	176.2	0	0	0	0	0	112.2	Y83 L224 H227 I383 F384 T389	Y83-A387 WeakPolarHBondContact OH-CA 3.48Å; Y83-A387 PolarHBondContact OH-O 2.88Å; L224-A387 HydrophobicContact CB-CB 4.32Å; L224-A387 HydrophobicContact CD2-CB 3.86Å; H227-A387 HydrophobicContact CB-CB 3.73Å; I383-A387 PolarHBondContact O-N 2.59Å; F384-A387 PolarHBondContact O-N 2.98Å; F384-A387 VanDerWaalsContact O-N 3.15Å; A387-T389 PolarHBondContact O-N 3.1Å; A387-T389 VanDerWaalsContact O-N 3.1Å
388	R	98.6	Very high	97.6	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.008	3%	0.032	C	C	.	.	H	α-helix	trans	-66.6	-15.7	-177.4	-175.1	54.6	59.2	78.1	-6.6	113.8	H227 A228 H230 N233 F384 V390 G391 W392	H227-R388 WeakPolarHBondContact O-CA 3.29Å; H227-R388 PolarHBondContact O-NE 3.42Å; H227-R388 PolarHBondContact O-NH2 3.22Å; A228-R388 WeakPolarHBondContact O-CA 3.37Å; H230-R388 VanDerWaalsContact CB-NH2 3.31Å; N233-R388 PolarHBondContact ND2-NH1 3.37Å; F384-R388 HydrophobicContact CD2-CB 4.16Å; F384-R388 HydrophobicContact CE2-CB 4.08Å; F384-R388 VanDerWaalsContact CZ-NH2 3.28Å; F384-R388 WeakPolarHBondContact O-CB 3.49Å; F384-R388 PolarHBondContact O-N 2.66Å; R388-V390 PolarHBondContact O-N 3.12Å; R388-G391 PolarHBondContact O-N 3.3Å; R388-G391 VanDerWaalsContact O-N 3.15Å; R388-W392 HydrophobicContact CB-CH2 4.28Å; R388-W392 HydrophobicContact CB-CZ2 4.13Å; R388-W392 HydrophobicContact CG-CD2 3.9Å; R388-W392 HydrophobicContact CG-CG 4.31Å; R388-W392 HydrophobicContact CG-CH2 4.19Å; R388-W392 HydrophobicContact CG-CZ2 3.55Å; R388-W392 PolarHBondContact O-N 2.88Å
389	T	98.9	Very high	97.8	Very high	2 Å²	2	4.2 Å²	4.2	1%	0.012	2%	0.023	C	C	.	.	H	α-helix	trans	-58.9	-36.3	-177.1	-67.1	0	0	0	0	112.5	L165 M169 I253 A385 M386 A387 W392 I393	L165-T389 HydrophobicContact CB-CG2 4.2Å; M169-T389 VanDerWaalsContact CE-OG1 3.26Å; M169-T389 WeakPolarHBondContact CE-OG1 3.36Å; M169-T389 HydrophobicContact CG-CG2 3.83Å; I253-T389 HydrophobicContact CG2-CG2 4.2Å; A385-T389 PolarHBondContact O-N 3.29Å; A385-T389 VanDerWaalsContact O-N 3.15Å; A385-T389 PolarHBondContact O-OG1 2.93Å; M386-T389 WeakPolarHBondContact O-CB 3.35Å; M386-T389 PolarHBondContact O-N 2.97Å; A387-T389 PolarHBondContact O-N 3.1Å; A387-T389 VanDerWaalsContact O-N 3.1Å; T389-W392 PolarHBondContact O-N 3.28Å; T389-I393 HydrophobicContact CG2-CD1 3.73Å; T389-I393 HydrophobicContact CG2-CG1 4.19Å; T389-I393 VanDerWaalsContact O-CG1 3.22Å; T389-I393 WeakPolarHBondContact O-CG1 3.3Å; T389-I393 PolarHBondContact O-N 2.93Å
390	V	98.9	Very high	97.7	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-66	-40.8	177.9	67.7	0	0	0	0	112.4	Y83 C87 L90 L91 L166 A228 R388 W392 I393 A394	Y83-V390 HydrophobicContact CE2-CG1 4.33Å; C87-V390 HydrophobicContact CB-CG2 3.82Å; L90-V390 HydrophobicContact CB-CG2 4.45Å; L90-V390 HydrophobicContact CD1-CG1 3.77Å; L90-V390 HydrophobicContact CD1-CG2 4.5Å; L91-V390 HydrophobicContact CD1-CG2 4.08Å; L91-V390 HydrophobicContact CD2-CG2 4.22Å; L91-V390 HydrophobicContact CG-CG2 3.92Å; L166-V390 HydrophobicContact CD1-CB 4.4Å; A228-V390 HydrophobicContact CB-CG1 3.93Å; R388-V390 PolarHBondContact O-N 3.12Å; V390-W392 PolarHBondContact O-N 3.01Å; V390-I393 PolarHBondContact O-N 3.38Å; V390-A394 WeakPolarHBondContact O-CB 3.34Å; V390-A394 PolarHBondContact O-N 3.29Å
391	G	98.9	Very high	97.6	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-61.5	-43.1	173.7	0	0	0	0	0	112.2	A228 D229 R388 I393 A394 H395	A228-G391 WeakPolarHBondContact O-CA 3.28Å; A228-G391 PolarHBondContact O-N 3.23Å; A228-G391 VanDerWaalsContact O-N 3.07Å; D229-G391 WeakPolarHBondContact OD1-CA 3.26Å; R388-G391 PolarHBondContact O-N 3.3Å; R388-G391 VanDerWaalsContact O-N 3.15Å; G391-I393 PolarHBondContact O-N 2.82Å; G391-A394 PolarHBondContact O-N 3.22Å; G391-H395 WeakPolarHBondContact O-CB 3.42Å; G391-H395 PolarHBondContact O-CD2 2.96Å; G391-H395 PolarHBondContact O-N 3.34Å
392	W	98.9	Very high	97.3	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.5	-42.5	174.2	-68.4	-27.3	0	0	0	112.9	S235 V239 I253 G256 I257 L260 A385 R388 T389 V390 W396	S235-W392 WeakPolarHBondContact OG-CZ2 3.31Å; S235-W392 PolarHBondContact OG-NE1 3.48Å; V239-W392 HydrophobicContact CG1-CB 4.22Å; V239-W392 HydrophobicContact CG2-CB 4.05Å; V239-W392 HydrophobicContact CG2-CD2 4.17Å; V239-W392 HydrophobicContact CG2-CG 3.76Å; I253-W392 HydrophobicContact CD1-CB 3.5Å; I253-W392 VanDerWaalsContact CD1-CB 3.5Å; I253-W392 HydrophobicContact CD1-CE3 4.24Å; I253-W392 HydrophobicContact CD1-CG 4.4Å; I253-W392 HydrophobicContact CG2-CE3 4.06Å; I253-W392 HydrophobicContact CG2-CZ3 4.32Å; G256-W392 WeakPolarHBondContact O-CZ2 3.17Å; I257-W392 HydrophobicContact CG1-CH2 4.09Å; I257-W392 HydrophobicContact CG1-CZ3 3.7Å; L260-W392 HydrophobicContact CB-CH2 4.19Å; L260-W392 HydrophobicContact CB-CZ2 4.05Å; L260-W392 HydrophobicContact CD2-CH2 3.93Å; L260-W392 HydrophobicContact CD2-CZ2 4.09Å; A385-W392 HydrophobicContact CB-CH2 4.18Å; A385-W392 HydrophobicContact CB-CZ3 4.46Å; R388-W392 HydrophobicContact CB-CH2 4.28Å; R388-W392 HydrophobicContact CB-CZ2 4.13Å; R388-W392 HydrophobicContact CG-CD2 3.9Å; R388-W392 HydrophobicContact CG-CG 4.31Å; R388-W392 HydrophobicContact CG-CH2 4.19Å; R388-W392 HydrophobicContact CG-CZ2 3.55Å; R388-W392 PolarHBondContact O-N 2.88Å; T389-W392 PolarHBondContact O-N 3.28Å; V390-W392 PolarHBondContact O-N 3.01Å; W392-W396 WeakPolarHBondContact O-CB 3.19Å; W392-W396 PolarHBondContact O-N 2.93Å
393	I	98.8	Very high	96.7	Very high	5 Å²	5	16.8 Å²	16.8	3%	0.026	11%	0.11	C	C	.	.	H	α-helix	trans	-63.9	-43	176	-66.5	165.8	0	0	0	110.5	L91 A162 L165 I253 T389 V390 G391 W396 S397	L91-I393 HydrophobicContact CD2-CB 4.18Å; L91-I393 HydrophobicContact CD2-CG2 3.65Å; A162-I393 HydrophobicContact CB-CG2 3.52Å; L165-I393 HydrophobicContact CB-CD1 3.67Å; L165-I393 HydrophobicContact CD1-CD1 4.22Å; L165-I393 HydrophobicContact CD1-CG1 4.19Å; I253-I393 HydrophobicContact CD1-CG1 4.18Å; T389-I393 HydrophobicContact CG2-CD1 3.73Å; T389-I393 HydrophobicContact CG2-CG1 4.19Å; T389-I393 VanDerWaalsContact O-CG1 3.22Å; T389-I393 WeakPolarHBondContact O-CG1 3.3Å; T389-I393 PolarHBondContact O-N 2.93Å; V390-I393 PolarHBondContact O-N 3.38Å; G391-I393 PolarHBondContact O-N 2.82Å; I393-W396 PolarHBondContact O-N 3.3Å; I393-S397 VanDerWaalsContact O-CB 3.25Å; I393-S397 WeakPolarHBondContact O-CB 3.36Å; I393-S397 PolarHBondContact O-N 3.37Å; I393-S397 PolarHBondContact O-OG 3.21Å
394	A	98.8	Very high	95.7	Very high	3 Å²	3	19.6 Å²	19.6	3%	0.025	12%	0.123	C	C	.	.	H	α-helix	trans	-60.8	-50.2	178.3	0	0	0	0	0	110.9	I57 L90 L91 V390 G391 W396 S397 E398	I57-A394 VanDerWaalsContact CD1-C 3.46Å; I57-A394 HydrophobicContact CD1-CB 3.92Å; I57-A394 HydrophobicContact CG1-CB 4.41Å; I57-A394 HydrophobicContact CG2-CB 4.32Å; L90-A394 HydrophobicContact CB-CB 4.43Å; L91-A394 HydrophobicContact CD2-CB 4.1Å; V390-A394 WeakPolarHBondContact O-CB 3.34Å; V390-A394 PolarHBondContact O-N 3.29Å; G391-A394 PolarHBondContact O-N 3.22Å; A394-W396 PolarHBondContact O-N 3.05Å; A394-S397 PolarHBondContact O-N 2.86Å; A394-E398 WeakPolarHBondContact O-CB 3.24Å; A394-E398 PolarHBondContact O-N 2.91Å
395	H	98.7	Very high	95.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.8	-37.6	178.3	-78.6	-58.5	0	0	0	113.3	I57 D229 Q232 T236 R240 G391 E398 M399	I57-H395 HydrophobicContact CD1-CB 4.32Å; I57-H395 VanDerWaalsContact CD1-ND1 3.29Å; I57-H395 WeakPolarHBondContact CD1-ND1 3.24Å; D229-H395 IonicContact OD1-CD2 3.59Å; D229-H395 PolarHBondContact OD1-CD2 3.31Å; D229-H395 VanDerWaalsContact OD1-CD2 3.24Å; D229-H395 IonicContact OD1-NE2 2.89Å; D229-H395 PolarHBondContact OD1-NE2 2.72Å; D229-H395 IonicContact OD2-NE2 3.68Å; D229-H395 PolarHBondContact OD2-NE2 2.91Å; Q232-H395 PolarHBondContact NE2-CE1 3.41Å; T236-H395 HydrophobicContact CG2-CB 3.82Å; T236-H395 WeakPolarHBondContact CG2-CD2 3.49Å; R240-H395 HydrophobicContact CG-CB 4.43Å; R240-H395 PolarHBondContact NH1-O 3.47Å; R240-H395 PolarHBondContact NH2-ND1 2.96Å; G391-H395 WeakPolarHBondContact O-CB 3.42Å; G391-H395 PolarHBondContact O-CD2 2.96Å; G391-H395 PolarHBondContact O-N 3.34Å; H395-E398 IonicContact ND1-OE2 2.68Å; H395-M399 VanDerWaalsContact O-CB 3.3Å; H395-M399 WeakPolarHBondContact O-CB 3.43Å; H395-M399 PolarHBondContact O-N 3.06Å
396	W	98.5	Very high	95.1	Very high	5 Å²	5	32.4 Å²	32.4	2%	0.019	18%	0.182	C	C	.	.	H	α-helix	trans	-65.8	-41.5	173.9	178.3	83.5	0	0	0	111.9	V152 R158 V239 P249 W392 I393 A394 M399 H400	V152-W396 HydrophobicContact CB-CH2 4.45Å; V152-W396 HydrophobicContact CB-CZ2 3.95Å; V152-W396 HydrophobicContact CG1-CH2 4.33Å; V152-W396 HydrophobicContact CG1-CZ2 3.61Å; R158-W396 HydrophobicContact CB-CH2 4.09Å; R158-W396 HydrophobicContact CB-CZ3 3.88Å; R158-W396 HydrophobicContact CG-CH2 3.63Å; R158-W396 HydrophobicContact CG-CZ3 3.83Å; V239-W396 HydrophobicContact CG1-CB 3.96Å; P249-W396 HydrophobicContact CB-CH2 3.74Å; P249-W396 HydrophobicContact CB-CZ2 3.75Å; P249-W396 HydrophobicContact CB-CZ3 4.22Å; P249-W396 HydrophobicContact CG-CH2 3.99Å; P249-W396 HydrophobicContact CG-CZ2 4.14Å; W392-W396 WeakPolarHBondContact O-CB 3.19Å; W392-W396 PolarHBondContact O-N 2.93Å; I393-W396 PolarHBondContact O-N 3.3Å; A394-W396 PolarHBondContact O-N 3.05Å; W396-M399 PolarHBondContact O-N 3.2Å; W396-H400 AromaticContact CD1-CD2 3.94Å; W396-H400 AromaticContact CD1-NE2 3.86Å; W396-H400 AromaticContact CD2-CD2 3.72Å; W396-H400 AromaticContact CE2-CD2 3.3Å; W396-H400 AromaticContact CE2-NE2 3.32Å; W396-H400 VanDerWaalsContact CE2-NE2 3.32Å; W396-H400 AromaticContact CZ2-CD2 3.6Å; W396-H400 AromaticContact CZ2-NE2 3.58Å; W396-H400 AromaticContact NE1-CD2 3.44Å; W396-H400 PolarHBondContact NE1-CD2 2.92Å; W396-H400 AromaticContact NE1-NE2 3.09Å; W396-H400 PolarHBondContact NE1-NE2 3.42Å; W396-H400 PolarHBondContact O-CD2 3.45Å; W396-H400 VanDerWaalsContact O-CD2 3.29Å; W396-H400 PolarHBondContact O-N 3.49Å; W396-H400 VanDerWaalsContact O-N 3.16Å
397	S	97.8	Very high	95	Very high	30 Å²	30	34.3 Å²	34.3	21%	0.21	20%	0.199	C	C	.	.	H	α-helix	trans	-67.7	-44.2	178.5	-59.3	0	0	0	0	111.8	I393 A394 H400 S401	I393-S397 VanDerWaalsContact O-CB 3.25Å; I393-S397 WeakPolarHBondContact O-CB 3.36Å; I393-S397 PolarHBondContact O-N 3.37Å; I393-S397 PolarHBondContact O-OG 3.21Å; A394-S397 PolarHBondContact O-N 2.86Å; S397-H400 PolarHBondContact O-N 3.12Å; S397-S401 WeakPolarHBondContact O-CB 3.36Å; S397-S401 PolarHBondContact O-N 3.02Å; S397-S401 PolarHBondContact O-OG 3.29Å
398	E	98	Very high	94.9	Very high	21 Å²	21	44.3 Å²	44.3	10%	0.098	24%	0.237	C	C	.	.	H	α-helix	trans	-57.8	-49.2	174.1	-176.7	-178.4	-107.3	0	0	110.6	S55 K56 I57 R240 A394 H395 H400 S401 D402	S55-E398 WeakPolarHBondContact CA-OE1 3.28Å; S55-E398 WeakPolarHBondContact CA-OE2 3.42Å; S55-E398 VanDerWaalsContact CB-OE2 3.23Å; S55-E398 WeakPolarHBondContact CB-OE2 3.36Å; S55-E398 VanDerWaalsContact OG-CD 3.29Å; S55-E398 PolarHBondContact OG-OE1 3.41Å; S55-E398 PolarHBondContact OG-OE2 2.81Å; K56-E398 PolarHBondContact N-OE1 3.31Å; I57-E398 HydrophobicContact CD1-CB 3.87Å; I57-E398 HydrophobicContact CD1-CG 4.36Å; R240-E398 IonicContact CZ-OE2 2.68Å; R240-E398 IonicContact NH1-OE2 2.59Å; R240-E398 IonicContact NH2-OE2 2.9Å; R240-E398 PolarHBondContact NH2-OE2 2.99Å; A394-E398 WeakPolarHBondContact O-CB 3.24Å; A394-E398 PolarHBondContact O-N 2.91Å; H395-E398 IonicContact ND1-OE2 2.68Å; E398-H400 VanDerWaalsContact C-N 3.34Å; E398-H400 PolarHBondContact O-N 2.96Å; E398-S401 PolarHBondContact O-N 3.41Å; E398-S401 VanDerWaalsContact O-N 3.12Å; E398-D402 WeakPolarHBondContact O-CB 3.37Å; E398-D402 VanDerWaalsContact O-CG 3.26Å; E398-D402 PolarHBondContact O-N 3.36Å
399	M	97.1	Very high	94.8	Very high	2 Å²	2	49 Å²	49	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-55.7	-44	178.4	-179.3	-84.4	-61.7	0	0	113.4	H395 W396 M404	H395-M399 VanDerWaalsContact O-CB 3.3Å; H395-M399 WeakPolarHBondContact O-CB 3.43Å; H395-M399 PolarHBondContact O-N 3.06Å; W396-M399 PolarHBondContact O-N 3.2Å; M399-M404 HydrophobicContact CG-CB 3.84Å; M399-M404 HydrophobicContact CG-CE 3.33Å; M399-M404 HydrophobicContact CG-CG 4.32Å; M399-M404 HydrophobicContact CG-SD 3.61Å; M399-M404 VanDerWaalsContact O-CB 3.3Å; M399-M404 WeakPolarHBondContact O-CB 3.39Å; M399-M404 PolarHBondContact O-N 3.43Å; M399-M404 HydrophobicContact SD-CB 4.19Å; M399-M404 HydrophobicContact SD-CE 3.92Å
400	H	95.5	Very high	94.7	Very high	34 Å²	34	58.1 Å²	58.1	16%	0.157	30%	0.301	C	S	.	.	H	α-helix	trans	-73.1	-36	177.3	-79.6	-62.2	0	0	0	113	G243 W396 S397 E398 G403	G243-H400 PolarHBondContact O-CE1 3.41Å; G243-H400 VanDerWaalsContact O-CE1 3.3Å; W396-H400 AromaticContact CD1-CD2 3.94Å; W396-H400 AromaticContact CD1-NE2 3.86Å; W396-H400 AromaticContact CD2-CD2 3.72Å; W396-H400 AromaticContact CE2-CD2 3.3Å; W396-H400 AromaticContact CE2-NE2 3.32Å; W396-H400 VanDerWaalsContact CE2-NE2 3.32Å; W396-H400 AromaticContact CZ2-CD2 3.6Å; W396-H400 AromaticContact CZ2-NE2 3.58Å; W396-H400 AromaticContact NE1-CD2 3.44Å; W396-H400 PolarHBondContact NE1-CD2 2.92Å; W396-H400 AromaticContact NE1-NE2 3.09Å; W396-H400 PolarHBondContact NE1-NE2 3.42Å; W396-H400 PolarHBondContact O-CD2 3.45Å; W396-H400 VanDerWaalsContact O-CD2 3.29Å; W396-H400 PolarHBondContact O-N 3.49Å; W396-H400 VanDerWaalsContact O-N 3.16Å; S397-H400 PolarHBondContact O-N 3.12Å; E398-H400 VanDerWaalsContact C-N 3.34Å; E398-H400 PolarHBondContact O-N 2.96Å; H400-G403 PolarHBondContact O-N 3.27Å
401	S	92.2	Very high	94.7	Very high	77 Å²	77	65.5 Å²	65.5	54%	0.538	34%	0.336	S	S	.	.	H	α-helix	trans	-71.4	-32.3	179.3	-65.8	0	0	0	0	112.8	R158 S397 E398 G403	R158-S401 PolarHBondContact NH1-OG 3.29Å; S397-S401 WeakPolarHBondContact O-CB 3.36Å; S397-S401 PolarHBondContact O-N 3.02Å; S397-S401 PolarHBondContact O-OG 3.29Å; E398-S401 PolarHBondContact O-N 3.41Å; E398-S401 VanDerWaalsContact O-N 3.12Å; S401-G403 PolarHBondContact O-N 3.37Å
402	D	87.9	Confident	94.7	Very high	97 Å²	97	70.9 Å²	70.9	52%	0.519	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-5	175.9	-68.1	-17.7	0	0	0	113.1	E398 M404	E398-D402 WeakPolarHBondContact O-CB 3.37Å; E398-D402 VanDerWaalsContact O-CG 3.26Å; E398-D402 PolarHBondContact O-N 3.36Å; D402-M404 PolarHBondContact O-N 2.74Å
403	G	84.7	Confident	94.6	Very high	59 Å²	59	78.1 Å²	78.1	61%	0.608	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	32.4	-175.3	0	0	0	0	0	112.4	H400 S401 K405	H400-G403 PolarHBondContact O-N 3.27Å; S401-G403 PolarHBondContact O-N 3.37Å; G403-K405 PolarHBondContact O-N 3.38Å
404	M	75.7	Confident	94.6	Very high	60 Å²	60	83.9 Å²	83.9	30%	0.296	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-56	129.3	-176.4	-164.7	-175.3	82.6	0	0	110.2	M399 D402	M399-M404 HydrophobicContact CG-CB 3.84Å; M399-M404 HydrophobicContact CG-CE 3.33Å; M399-M404 HydrophobicContact CG-CG 4.32Å; M399-M404 HydrophobicContact CG-SD 3.61Å; M399-M404 VanDerWaalsContact O-CB 3.3Å; M399-M404 WeakPolarHBondContact O-CB 3.39Å; M399-M404 PolarHBondContact O-N 3.43Å; M399-M404 HydrophobicContact SD-CB 4.19Å; M399-M404 HydrophobicContact SD-CE 3.92Å; D402-M404 PolarHBondContact O-N 2.74Å
405	K	86.5	Confident	94.5	Very high	185 Å²	185	85.7 Å²	85.7	80%	0.804	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-64.2	152.7	173.8	-65.8	-177.4	-179.4	179.1	0	110	G403 A407	G403-K405 PolarHBondContact O-N 3.38Å; K405-A407 PolarHBondContact O-N 3.32Å
406	I	95.1	Very high	94.5	Very high	97 Å²	97	93.3 Å²	93.3	50%	0.497	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-48	128.6	174.7	-173.9	171.1	0	0	0	111.9	R408	I406-R408 PolarHBondContact O-N 2.72Å; I406-R408 VanDerWaalsContact O-N 3.15Å
407	A	96	Very high	94.5	Very high	42 Å²	42	101.6 Å²	101.6	35%	0.347	52%	0.516	S	S	.	.			trans	-72	105.5	175.6	0	0	0	0	0	109.7	T241 S244 K405	T241-A407 HydrophobicContact CG2-CB 4.24Å; S244-A407 WeakPolarHBondContact OG-CB 3.47Å; S244-A407 PolarHBondContact OG-N 3.28Å; K405-A407 PolarHBondContact O-N 3.32Å
408	R	96.4	Very high	94.5	Very high	210 Å²	210	110 Å²	110	79%	0.792	55%	0.549	S	S	*	.			trans	-139.8	77.9	-173.9	-164.5	174	-176.8	175.9	1.5	111.6	I406	I406-R408 PolarHBondContact O-N 2.72Å; I406-R408 VanDerWaalsContact O-N 3.15Å
409	P	97.1	Very high	94.5	Very high	100 Å²	100	116.9 Å²	116.9	65%	0.649	57%	0.574	S	S	*	*			trans	-64.9	167.1	-174.8	27.7	-35.3	0	0	0	113.1
410	R	97.8	Very high	94.5	Very high	194 Å²	194	124.2 Å²	124.2	73%	0.732	61%	0.613	S	S	*	*			trans	-93.9	168.3	172.4	-58.1	-58.7	-64	179.1	-1.3	110.5	F41	F41-R410 HydrophobicContact CD1-CG 3.9Å; F41-R410 HydrophobicContact CE1-CG 4.06Å
411	Q	98.3	Very high	94.6	Very high	154 Å²	154	131.4 Å²	131.4	72%	0.72	64%	0.644	S	S	*	*			trans	-127.9	151	172.1	70.5	-178.3	37.9	0	0	110.2
412	L	97.9	Very high	94.8	Very high	113 Å²	113	136.4 Å²	136.4	59%	0.592	66%	0.656	S	S	*	*			trans	-88.6	103.6	164.1	179.3	62	0	0	0	107.8	F43 T414	F43-L412 HydrophobicContact CD2-CB 4Å; F43-L412 HydrophobicContact CD2-CD2 4.27Å; F43-L412 HydrophobicContact CE2-CB 3.82Å; F43-L412 HydrophobicContact CE2-CD2 4.05Å; F43-L412 HydrophobicContact CZ-CD2 4.3Å; L412-T414 HydrophobicContact CD2-CG2 4.47Å; L412-T414 HydrophobicContact CG-CG2 4.13Å; L412-T414 PolarHBondContact O-N 3.5Å
413	Y	98.4	Very high	95.1	Very high	152 Å²	152	134.7 Å²	134.7	60%	0.596	65%	0.652	S	S	*	*			trans	-77.4	114.1	-179.5	-176.9	-102	0	0	0	110.6	Y416	Y413-Y416 WeakPolarHBondContact CE1-O 3.37Å; Y413-Y416 PolarHBondContact OH-O 3.05Å
414	T	98	Very high	95.7	Very high	126 Å²	126	139.2 Å²	139.2	77%	0.773	66%	0.662	S	S	*	*			trans	-119.5	21.6	176.3	54.3	0	0	0	0	111.9	L412	L412-T414 HydrophobicContact CD2-CG2 4.47Å; L412-T414 HydrophobicContact CG-CG2 4.13Å; L412-T414 PolarHBondContact O-N 3.5Å
415	G	97.7	Very high	96.6	Very high	42 Å²	42	142.6 Å²	142.6	43%	0.433	68%	0.68	S	S	.	*	S	Bend	trans	-78.2	-174.3	174.7	0	0	0	0	0	112.7
416	Y	97.9	Very high	96.7	Very high	160 Å²	160	143.4 Å²	143.4	63%	0.627	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-58.8	143.1	174.4	-71.1	-78.5	0	0	0	111.7	Y413 R419	Y413-Y416 WeakPolarHBondContact CE1-O 3.37Å; Y413-Y416 PolarHBondContact OH-O 3.05Å; Y416-R419 VanDerWaalsContact CD2-NH2 3.33Å
417	E	98	Very high	96.3	Very high	178 Å²	178	153.6 Å²	153.6	83%	0.832	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-62.3	173.3	165	-64.6	178.8	-166.9	0	0	111.4	R419	E417-R419 PolarHBondContact O-N 2.95Å; E417-R419 VanDerWaalsContact O-N 3.16Å
418	K	98	Very high	96.3	Very high	207 Å²	207	159.2 Å²	159.2	90%	0.9	73%	0.734	S	S	*	*	S	Bend	trans	-53.6	124.6	174.5	-176.5	-173.8	175.8	-172.2	0	109.6
419	R	97.6	Very high	96.3	Very high	166 Å²	166	156.5 Å²	156.5	63%	0.626	73%	0.731	S	S	*	*			trans	-139.1	147.1	176.6	60.2	-175.8	-179	177.2	0.5	110.3	Y416 E417	Y416-R419 VanDerWaalsContact CD2-NH2 3.33Å; E417-R419 PolarHBondContact O-N 2.95Å; E417-R419 VanDerWaalsContact O-N 3.16Å
420	D	97.7	Very high	96.2	Very high	156 Å²	156	159.6 Å²	159.6	83%	0.834	74%	0.735	S	S	*	*			trans	-73	139.5	179.7	-66.5	-36.7	0	0	0	111.1
421	F	97.6	Very high	96.1	Very high	185 Å²	185	157.6 Å²	157.6	81%	0.811	74%	0.736	S	S	*	*			trans	-89.1	126.3	175.1	174.3	-101.5	0	0	0	110.1
422	K	95.6	Very high	96	Very high	182 Å²	182	157.8 Å²	157.8	79%	0.791	74%	0.737	S	S	*	*			trans	-130.4	112	168.7	-170	173.9	-178.3	-179.6	0	108.1	D424	K422-D424 PolarHBondContact O-N 3.18Å
423	S	95.8	Very high	95.9	Very high	61 Å²	61	160.8 Å²	160.8	43%	0.427	75%	0.746	S	S	.	*			trans	-69.4	126.1	177.9	-178.6	0	0	0	0	110	I425	S423-I425 VanDerWaalsContact C-N 3.33Å; S423-I425 PolarHBondContact OG-N 3.45Å; S423-I425 PolarHBondContact OG-O 3.4Å
424	D	96.2	Very high	95.7	Very high	154 Å²	154	161.4 Å²	161.4	82%	0.824	76%	0.757	S	S	*	*			trans	-84.5	-14.1	167.9	-62.3	-41.4	0	0	0	112	K422	K422-D424 PolarHBondContact O-N 3.18Å
425	I	95.1	Very high	95.5	Very high	130 Å²	130	164.2 Å²	164.2	67%	0.667	76%	0.756	S	S	*	*			trans	-76.9	126.7	177.8	-59	171.2	0	0	0	109	S423 R427	S423-I425 VanDerWaalsContact C-N 3.33Å; S423-I425 PolarHBondContact OG-N 3.45Å; S423-I425 PolarHBondContact OG-O 3.4Å; I425-R427 HydrophobicContact CG2-CG 4.41Å
426	K	88.7	Confident	95.3	Very high	202 Å²	202	174.3 Å²	174.3	88%	0.878	78%	0.783	S	S	*	*			trans	-89.8	123.8	155.8	-66.4	-175.7	179.5	-179.5	0	107.5
427	R	85.6	Confident	95.1	Very high	311 Å²	311	175.6 Å²	175.6	100%	1.174	80%	0.797	S	S	*	*			trans	-82.5	0	171.7	-82	-175.4	175.1	170.3	-1.3	111.2	I425	I425-R427 HydrophobicContact CG2-CG 4.41Å

Retrieved 427 of 427 residues in 984.1 ms (Link to these results)

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