A0A077Z915_TRITR Loading...

Glyco hydro 19 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z915, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 434 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	35.6	Very low	35.1	Very low	238 Å²	238	162.1 Å²	162.1	100%	1.172	88%	0.881	S	S	*	*				0	94.5	0	-86.3	173.2	164	0	0	107.9	T3	M1-T3 PolarHBondContact O-N 2.83Å
2	M	33.9	Very low	35.6	Very low	199 Å²	199	155 Å²	155	98%	0.98	85%	0.852	S	S	*	*			trans	-79.4	108.6	168.8	-76.5	-163.9	178	0	0	107	E4	M2-E4 PolarHBondContact O-N 3.34Å
3	T	35.7	Very low	36.2	Very low	121 Å²	121	149.2 Å²	149.2	74%	0.742	83%	0.829	S	S	*	*			trans	-71.2	119.8	177.3	27.1	0	0	0	0	109.5	M1 R5	M1-T3 PolarHBondContact O-N 2.83Å; T3-R5 PolarHBondContact O-N 2.57Å; T3-R5 VanDerWaalsContact O-N 3.11Å
4	E	36.3	Very low	37.1	Very low	199 Å²	199	145 Å²	145	93%	0.93	80%	0.804	S	S	*	*			trans	-52.2	111.4	167.3	-70.3	173.8	146.2	0	0	109.4	M2	M2-E4 PolarHBondContact O-N 3.34Å
5	R	32.9	Very low	38.2	Very low	236 Å²	236	140.7 Å²	140.7	89%	0.891	78%	0.783	S	S	*	*			trans	-107	126.9	167.9	-88.7	-174.8	170.6	-173.6	-1.6	109.1	T3	T3-R5 PolarHBondContact O-N 2.57Å; T3-R5 VanDerWaalsContact O-N 3.11Å
6	A	34.4	Very low	39.6	Very low	88 Å²	88	145 Å²	145	73%	0.727	79%	0.791	S	S	*	*			trans	81.8	78.1	153.8	0	0	0	0	0	118.3	A8	A6-A8 VanDerWaalsContact C-N 3.32Å
7	L	36.3	Very low	41.6	Very low	194 Å²	194	138.9 Å²	138.9	100%	1.016	76%	0.76	S	S	*	*			trans	-97.3	65.7	132.6	-85.6	157	0	0	0	108.3
8	A	33.4	Very low	44.1	Very low	97 Å²	97	138.4 Å²	138.4	80%	0.802	76%	0.756	S	S	*	*			trans	-105.6	97.7	169	0	0	0	0	0	107	A6	A6-A8 VanDerWaalsContact C-N 3.32Å
9	G	32.5	Very low	46.6	Very low	69 Å²	69	132.8 Å²	132.8	71%	0.711	73%	0.727	S	S	*	*			trans	167.8	16.7	-180	0	0	0	0	0	119.8
10	V	40.8	Very low	48.8	Very low	134 Å²	134	129 Å²	129	81%	0.812	71%	0.709	S	S	*	*			trans	-113	78.8	155.9	-171.1	0	0	0	0	106.4	S12	V10-S12 PolarHBondContact O-N 2.84Å
11	K	34.5	Very low	50.7	Low	208 Å²	208	132.6 Å²	132.6	90%	0.904	72%	0.718	S	S	*	*			trans	-63.9	94.2	154.6	-83.6	-174.9	177.8	179.3	0	104.4	S13	K11-S13 VanDerWaalsContact C-N 3.27Å; K11-S13 PolarHBondContact O-N 3.22Å
12	S	41.4	Very low	53.3	Low	77 Å²	77	122 Å²	122	54%	0.538	67%	0.669	S	S	.	*			trans	-59.5	102.7	170	80.2	0	0	0	0	105.5	V10 L14	V10-S12 PolarHBondContact O-N 2.84Å; S12-L14 PolarHBondContact O-N 2.71Å; S12-L14 WeakPolarHBondContact OG-CD1 3.2Å
13	S	42.5	Very low	56.1	Low	79 Å²	79	116.6 Å²	116.6	55%	0.552	65%	0.646	S	S	*	*			trans	-68.7	59.7	156.7	177.5	0	0	0	0	107.3	K11 T15	K11-S13 VanDerWaalsContact C-N 3.27Å; K11-S13 PolarHBondContact O-N 3.22Å; S13-T15 PolarHBondContact O-N 2.92Å; S13-T15 PolarHBondContact O-OG1 3.11Å; S13-T15 PolarHBondContact OG-OG1 3.23Å
14	L	49.9	Very low	59	Low	91 Å²	91	116.3 Å²	116.3	48%	0.476	64%	0.635	S	S	.	*			trans	-74.1	42.8	156.9	-69.3	169.1	0	0	0	107.5	S12 K16 D58	S12-L14 PolarHBondContact O-N 2.71Å; S12-L14 WeakPolarHBondContact OG-CD1 3.2Å; L14-K16 PolarHBondContact O-N 3.18Å; L14-K16 VanDerWaalsContact O-N 3.1Å; L14-D58 HydrophobicContact CD2-CB 3.9Å
15	T	52.8	Low	61.9	Low	80 Å²	80	110.3 Å²	110.3	49%	0.491	60%	0.604	S	S	.	*			trans	-50.5	122.9	166.7	32	0	0	0	0	104.7	S13 V17	S13-T15 PolarHBondContact O-N 2.92Å; S13-T15 PolarHBondContact O-OG1 3.11Å; S13-T15 PolarHBondContact OG-OG1 3.23Å; T15-V17 WeakPolarHBondContact O-CG2 3.49Å; T15-V17 PolarHBondContact O-N 2.94Å
16	K	61	Low	64.9	Low	210 Å²	210	100.7 Å²	100.7	91%	0.913	58%	0.579	S	S	*	*			trans	-59.6	89.7	169.5	-84.9	-177.5	175.2	177.7	0	106.5	L14 N18	L14-K16 PolarHBondContact O-N 3.18Å; L14-K16 VanDerWaalsContact O-N 3.1Å; K16-N18 PolarHBondContact O-N 2.78Å
17	V	73.8	Confident	67.7	Low	42 Å²	42	106.6 Å²	106.6	26%	0.255	59%	0.588	S	S	.	*			trans	-68.2	118.4	177	-172.4	0	0	0	0	105.5	T15 C19 E139	T15-V17 WeakPolarHBondContact O-CG2 3.49Å; T15-V17 PolarHBondContact O-N 2.94Å; V17-C19 WeakPolarHBondContact CG1-SG 3.49Å; V17-C19 PolarHBondContact O-N 2.86Å; V17-E139 HydrophobicContact CG1-CB 3.62Å; V17-E139 HydrophobicContact CG2-CB 4.3Å
18	N	86.3	Confident	70.4	Confident	130 Å²	130	98.4 Å²	98.4	70%	0.695	55%	0.55	S	S	*	*			trans	-79	68.1	-178	-173.8	23.8	0	0	0	110.4	K16 R132	K16-N18 PolarHBondContact O-N 2.78Å; N18-R132 PolarHBondContact O-NH1 3.35Å; N18-R132 PolarHBondContact O-NH2 2.91Å
19	C	91.1	Very high	73.2	Confident	31 Å²	31	96 Å²	96	21%	0.209	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-81.2	145.9	176.5	-62.5	0	0	0	0	111.5	V17 C140	V17-C19 WeakPolarHBondContact CG1-SG 3.49Å; V17-C19 PolarHBondContact O-N 2.86Å; C19-C140 WeakPolarHBondContact CA-SG 3.4Å; C19-C140 HydrophobicContact CB-CB 3.84Å; C19-C140 WeakPolarHBondContact CB-SG 3.28Å; C19-C140 WeakPolarHBondContact SG-CA 3.29Å; C19-C140 WeakPolarHBondContact SG-CB 3.48Å; C19-C140 CovalentContact SG-SG 2.04Å; C19-C140 PolarHBondContact SG-SG 3.31Å
20	P	90.3	Very high	76	Confident	56 Å²	56	95.7 Å²	95.7	36%	0.364	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-54.3	146.6	167.6	-21.9	33.6	0	0	0	110.8	A22 L127	P20-A22 PolarHBondContact O-N 3.17Å; P20-L127 HydrophobicContact CG-CD2 3.86Å
21	K	89.1	Confident	78.3	Confident	205 Å²	205	93.2 Å²	93.2	89%	0.891	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-61.6	132.2	170.7	-68.5	-177.9	179.9	176.5	0	108.4
22	A	89.9	Confident	81	Confident	17 Å²	17	90.7 Å²	90.7	14%	0.14	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-57.8	145	174.3	0	0	0	0	0	110.7	P20 K24 K62 Y147	P20-A22 PolarHBondContact O-N 3.17Å; A22-K24 PolarHBondContact O-N 3.31Å; A22-K62 HydrophobicContact CB-CB 4.01Å; A22-K62 HydrophobicContact CB-CD 3.93Å; A22-K62 HydrophobicContact CB-CG 3.86Å; A22-Y147 HydrophobicContact CB-CE2 4.33Å
23	V	92.5	Very high	83.4	Confident	84 Å²	84	89.4 Å²	89.4	51%	0.509	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-62	136.5	164.3	-177.4	0	0	0	0	107.5	Y25 Y147	V23-Y25 HydrophobicContact CB-CE2 3.92Å; V23-Y25 HydrophobicContact CG1-CD2 4.19Å; V23-Y25 HydrophobicContact CG1-CE2 3.46Å; V23-Y25 VanDerWaalsContact CG1-CE2 3.46Å; V23-Y147 PolarHBondContact O-OH 3.25Å
24	K	96.7	Very high	85.8	Confident	116 Å²	116	90.5 Å²	90.5	50%	0.504	50%	0.504	S	S	.	.			trans	-107.9	130.8	179.8	-69.9	-176.8	173.6	-167.9	0	110.1	A22 L65 G66 W67	A22-K24 PolarHBondContact O-N 3.31Å; K24-L65 WeakPolarHBondContact CA-O 3.34Å; K24-G66 WeakPolarHBondContact CE-O 3.48Å; K24-W67 HydrophobicContact CB-CZ2 3.93Å; K24-W67 HydrophobicContact CD-CD2 3.95Å; K24-W67 HydrophobicContact CD-CE3 3.85Å; K24-W67 HydrophobicContact CD-CH2 3.89Å; K24-W67 HydrophobicContact CD-CZ2 3.97Å; K24-W67 HydrophobicContact CD-CZ3 3.83Å; K24-W67 HydrophobicContact CG-CD2 4.35Å; K24-W67 HydrophobicContact CG-CZ2 4.44Å
25	Y	97.5	Very high	87.9	Confident	72 Å²	72	93.8 Å²	93.8	28%	0.282	51%	0.514	S	S	.	.			trans	-111.2	146	176.5	-63.9	-97.1	0	0	0	111.5	V23 L65 W67 Y147 P154 H166	V23-Y25 HydrophobicContact CB-CE2 3.92Å; V23-Y25 HydrophobicContact CG1-CD2 4.19Å; V23-Y25 HydrophobicContact CG1-CE2 3.46Å; V23-Y25 VanDerWaalsContact CG1-CE2 3.46Å; Y25-L65 PolarHBondContact N-O 2.97Å; Y25-W67 PolarHBondContact O-NE1 3.37Å; Y25-Y147 HydrophobicContact CD2-CE1 4.42Å; Y25-Y147 VanDerWaalsContact CD2-OH 3.28Å; Y25-Y147 WeakPolarHBondContact CD2-OH 3.24Å; Y25-Y147 HydrophobicContact CE2-CE1 4.42Å; Y25-Y147 WeakPolarHBondContact CE2-OH 3.09Å; Y25-P154 HydrophobicContact CD1-CB 3.85Å; Y25-P154 HydrophobicContact CD1-CG 3.79Å; Y25-P154 HydrophobicContact CD2-CB 3.55Å; Y25-P154 HydrophobicContact CD2-CG 3.74Å; Y25-P154 HydrophobicContact CE1-CB 4.03Å; Y25-P154 HydrophobicContact CE1-CG 3.42Å; Y25-P154 VanDerWaalsContact CE1-CG 3.42Å; Y25-P154 HydrophobicContact CE2-CB 3.75Å; Y25-P154 HydrophobicContact CE2-CG 3.37Å; Y25-P154 HydrophobicContact CG-CB 3.61Å; Y25-P154 HydrophobicContact CG-CG 3.94Å; Y25-H166 AromaticContact CD1-NE2 3.97Å
26	G	95.8	Very high	90	Very high	35 Å²	35	91.2 Å²	91.2	36%	0.361	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	-167.6	-176.1	0	0	0	0	0	114.5	G28	G26-G28 VanDerWaalsContact C-N 3.3Å
27	K	94.2	Very high	91.7	Very high	212 Å²	212	83.9 Å²	83.9	92%	0.922	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-2.6	-178.4	-62.5	-176.1	179.8	178	0	113.7
28	G	92.6	Very high	92.9	Very high	22 Å²	22	82.5 Å²	82.5	23%	0.227	46%	0.463	C	S	.	.			trans	79.5	-178.6	-172.3	0	0	0	0	0	113.5	G26 W67	G26-G28 VanDerWaalsContact C-N 3.3Å; G28-W67 VanDerWaalsContact CA-CD2 3.44Å
29	P	93.1	Very high	93.4	Very high	47 Å²	47	79.6 Å²	79.6	31%	0.305	45%	0.451	S	S	.	.	S	Bend	trans	-63.2	146.7	179.8	26.8	-34.8	0	0	0	111.3	N70 C72	P29-N70 VanDerWaalsContact CB-OD1 3.26Å; P29-N70 WeakPolarHBondContact CB-OD1 3.47Å; P29-C72 HydrophobicContact CB-CB 3.94Å
30	P	91.3	Very high	93.7	Very high	61 Å²	61	80.8 Å²	80.8	40%	0.396	46%	0.455	S	S	.	.			trans	-65.1	153.7	174.4	30.4	-36.4	0	0	0	110.9	N32 C33 C72	P30-N32 WeakPolarHBondContact CB-O 3.35Å; P30-N32 WeakPolarHBondContact CG-O 3.24Å; P30-N32 PolarHBondContact O-N 3.04Å; P30-C33 HydrophobicContact CG-CB 4.26Å; P30-C72 HydrophobicContact CG-CB 4.27Å
31	G	88.3	Confident	94.1	Very high	82 Å²	82	84.7 Å²	84.7	85%	0.845	47%	0.473	S	S	*	.	S	Bend	trans	-62.7	-29.6	177.9	0	0	0	0	0	113.8
32	N	90.1	Very high	94.5	Very high	155 Å²	155	78.2 Å²	78.2	83%	0.829	44%	0.443	S	S	*	.	S	Bend	trans	-129.3	143.2	174.1	-78.9	-15.3	0	0	0	110.3	P30	P30-N32 WeakPolarHBondContact CB-O 3.35Å; P30-N32 WeakPolarHBondContact CG-O 3.24Å; P30-N32 PolarHBondContact O-N 3.04Å
33	C	92.8	Very high	94.9	Very high	50 Å²	50	82.2 Å²	82.2	34%	0.338	47%	0.468	S	S	.	.			trans	-154.9	163.1	179.5	60.6	0	0	0	0	111.4	P30 K35 C72	P30-C33 HydrophobicContact CG-CB 4.26Å; C33-K35 PolarHBondContact O-N 2.85Å; C33-C72 HydrophobicContact CB-CB 3.48Å; C33-C72 VanDerWaalsContact CB-CB 3.48Å; C33-C72 WeakPolarHBondContact CB-SG 3.39Å; C33-C72 WeakPolarHBondContact SG-CA 3.31Å; C33-C72 WeakPolarHBondContact SG-CB 3.43Å; C33-C72 CovalentContact SG-SG 2.02Å; C33-C72 PolarHBondContact SG-SG 3.43Å
34	T	92.4	Very high	95.1	Very high	103 Å²	103	85.7 Å²	85.7	63%	0.632	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-68.8	126.1	165.5	-53.5	0	0	0	0	109
35	K	93.5	Very high	95.1	Very high	159 Å²	159	80.7 Å²	80.7	69%	0.691	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-72.2	151.4	176.3	-66.9	-175.3	179.2	179.1	0	110.6	C33	C33-K35 PolarHBondContact O-N 2.85Å
36	F	96.9	Very high	95.1	Very high	27 Å²	27	83.3 Å²	83.3	12%	0.118	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-67	134.7	172	-66.5	-87.3	0	0	0	111	A71 S73 N76 I82 T248 P251	F36-A71 WeakPolarHBondContact CD2-O 3.19Å; F36-A71 WeakPolarHBondContact CE2-O 3.27Å; F36-S73 WeakPolarHBondContact CE2-O 3.27Å; F36-S73 WeakPolarHBondContact CZ-O 3.14Å; F36-N76 VanDerWaalsContact CD2-ND2 3.29Å; F36-N76 WeakPolarHBondContact CD2-ND2 3.47Å; F36-N76 WeakPolarHBondContact CE2-ND2 3.34Å; F36-I82 HydrophobicContact CB-CD1 4.22Å; F36-T248 WeakPolarHBondContact CA-O 3.34Å; F36-T248 HydrophobicContact CD1-CG2 3.95Å; F36-T248 HydrophobicContact CE1-CG2 3.57Å; F36-T248 HydrophobicContact CZ-CG2 3.87Å; F36-P251 HydrophobicContact CD1-CB 3.66Å; F36-P251 HydrophobicContact CD1-CG 4.2Å; F36-P251 HydrophobicContact CE1-CB 4.01Å
37	S	97.7	Very high	95.2	Very high	55 Å²	55	81.6 Å²	81.6	39%	0.385	45%	0.447	S	S	.	.			trans	-145.6	161.9	-178	58.7	0	0	0	0	111.4	T248 D249 P250	S37-T248 PolarHBondContact N-O 3.16Å; S37-D249 WeakPolarHBondContact O-CA 3.19Å; S37-P250 WeakPolarHBondContact O-CA 3.4Å
38	D	98.1	Very high	95.4	Very high	13 Å²	13	73.1 Å²	73.1	7%	0.07	41%	0.411	C	S	.	.			trans	-112.1	99.5	172.7	-175.7	6.8	0	0	0	110.3	N40 N41 R42 I82 Y86	D38-N40 PolarHBondContact O-N 3.19Å; D38-N40 PolarHBondContact OD1-N 3.32Å; D38-N40 VanDerWaalsContact OD1-N 3.15Å; D38-N41 PolarHBondContact O-N 2.88Å; D38-N41 VanDerWaalsContact O-N 3.1Å; D38-R42 WeakPolarHBondContact OD2-CA 2.97Å; D38-R42 WeakPolarHBondContact OD2-CB 3.23Å; D38-R42 WeakPolarHBondContact OD2-CG 3.41Å; D38-R42 PolarHBondContact OD2-N 2.82Å; D38-I82 HydrophobicContact CB-CG2 3.8Å; D38-Y86 WeakPolarHBondContact OD1-CE2 3.49Å; D38-Y86 PolarHBondContact OD1-OH 3.18Å
39	P	97.6	Very high	95.7	Very high	69 Å²	69	76.5 Å²	76.5	45%	0.448	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.9	-178.7	28.8	-36.9	0	0	0	112.9	N41 D249	P39-N41 VanDerWaalsContact C-N 3.32Å; P39-D249 VanDerWaalsContact CD-C 3.49Å; P39-D249 WeakPolarHBondContact CG-O 3.48Å
40	N	97.9	Very high	95.9	Very high	56 Å²	56	75.9 Å²	75.9	30%	0.299	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-0.6	179	-66.7	-46.2	0	0	0	112.8	D38 R42 Y86 N231 N232	D38-N40 PolarHBondContact O-N 3.19Å; D38-N40 PolarHBondContact OD1-N 3.32Å; D38-N40 VanDerWaalsContact OD1-N 3.15Å; N40-R42 VanDerWaalsContact C-N 3.25Å; N40-R42 HydrophobicContact CB-CG 4.38Å; N40-R42 PolarHBondContact O-N 3.11Å; N40-Y86 WeakPolarHBondContact CB-OH 3.37Å; N40-Y86 PolarHBondContact ND2-OH 3.08Å; N40-N231 PolarHBondContact ND2-O 3.09Å; N40-N232 PolarHBondContact ND2-O 3.14Å; N40-N232 PolarHBondContact OD1-O 3.2Å
41	N	97.6	Very high	96.2	Very high	139 Å²	139	73 Å²	73	74%	0.743	40%	0.404	S	S	*	.			trans	46.3	46.9	179.3	-61.7	-65.7	0	0	0	113	D38 P39	D38-N41 PolarHBondContact O-N 2.88Å; D38-N41 VanDerWaalsContact O-N 3.1Å; P39-N41 VanDerWaalsContact C-N 3.32Å
42	R	98.1	Very high	96.7	Very high	69 Å²	69	71.4 Å²	71.4	26%	0.26	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-58.5	142.5	178.3	-62.5	-63.9	-172.3	162.2	1.8	109.6	D38 N40 R85 Y86 N231	D38-R42 WeakPolarHBondContact OD2-CA 2.97Å; D38-R42 WeakPolarHBondContact OD2-CB 3.23Å; D38-R42 WeakPolarHBondContact OD2-CG 3.41Å; D38-R42 PolarHBondContact OD2-N 2.82Å; N40-R42 VanDerWaalsContact C-N 3.25Å; N40-R42 HydrophobicContact CB-CG 4.38Å; N40-R42 PolarHBondContact O-N 3.11Å; R42-R85 HydrophobicContact CB-CB 3.84Å; R42-Y86 HydrophobicContact CB-CE2 4.44Å; R42-Y86 HydrophobicContact CG-CD1 4.4Å; R42-Y86 HydrophobicContact CG-CD2 3.94Å; R42-Y86 HydrophobicContact CG-CE1 4.12Å; R42-Y86 HydrophobicContact CG-CE2 3.61Å; R42-Y86 HydrophobicContact CG-CG 4.31Å; R42-N231 PolarHBondContact NH2-O 3.02Å; R42-N231 PolarHBondContact NH2-OD1 3.21Å
43	P	98	Very high	97.1	Very high	101 Å²	101	68.3 Å²	68.3	66%	0.656	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-60.4	150.7	177.3	26.9	-34.8	0	0	0	110.3	S45 R85	P43-S45 PolarHBondContact O-N 3.48Å; P43-R85 VanDerWaalsContact O-CG 3.31Å; P43-R85 WeakPolarHBondContact O-CG 3.41Å
44	K	97.8	Very high	97.4	Very high	157 Å²	157	71.6 Å²	71.6	68%	0.683	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-58.4	136	175.1	-68.1	-170.5	175.8	-177.6	0	110.5	E48	K44-E48 WeakPolarHBondContact CA-OE1 3.28Å; K44-E48 VanDerWaalsContact CB-OE1 3.31Å; K44-E48 WeakPolarHBondContact CB-OE1 3.39Å; K44-E48 WeakPolarHBondContact CD-OE2 3.28Å; K44-E48 WeakPolarHBondContact CG-OE2 3.35Å
45	S	96.6	Very high	97.6	Very high	10 Å²	10	68.6 Å²	68.6	7%	0.07	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-76.1	152.9	171.9	172.8	0	0	0	0	109.5	P43 L47 E48 T92	P43-S45 PolarHBondContact O-N 3.48Å; S45-L47 PolarHBondContact O-N 3.37Å; S45-L47 VanDerWaalsContact O-N 3.14Å; S45-L47 PolarHBondContact OG-N 3.39Å; S45-E48 PolarHBondContact N-OE1 3.46Å; S45-E48 VanDerWaalsContact N-OE1 3.13Å; S45-E48 WeakPolarHBondContact O-CB 3.19Å; S45-E48 PolarHBondContact O-N 3.4Å; S45-T92 VanDerWaalsContact OG-CG2 3.25Å; S45-T92 WeakPolarHBondContact OG-CG2 3.4Å
46	R	96.9	Very high	97.9	Very high	127 Å²	127	61 Å²	61	48%	0.479	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-59.3	-22.2	171.7	-177.2	-176.3	179.5	-165.9	5.5	112	E48 S49 T92	R46-E48 PolarHBondContact O-N 3.19Å; R46-S49 WeakPolarHBondContact O-CB 3.02Å; R46-S49 PolarHBondContact O-N 3.46Å; R46-S49 PolarHBondContact O-OG 3.32Å; R46-T92 HydrophobicContact CB-CG2 3.68Å; R46-T92 PolarHBondContact NH1-O 3.29Å
47	L	98.4	Very high	97.9	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-50.7	-40.8	171.2	-179.9	58.9	0	0	0	112.3	S45 S49 W50 F51 F80 A84 F90 A91 T92 L109	S45-L47 PolarHBondContact O-N 3.37Å; S45-L47 VanDerWaalsContact O-N 3.14Å; S45-L47 PolarHBondContact OG-N 3.39Å; L47-S49 PolarHBondContact O-N 3.29Å; L47-S49 VanDerWaalsContact O-N 3.14Å; L47-W50 HydrophobicContact CD1-CH2 4.31Å; L47-W50 HydrophobicContact CD1-CZ2 3.52Å; L47-W50 PolarHBondContact O-N 2.54Å; L47-F51 HydrophobicContact CD1-CB 3.61Å; L47-F51 HydrophobicContact CD1-CD1 4.45Å; L47-F51 HydrophobicContact CD1-CG 4.22Å; L47-F51 HydrophobicContact CG-CB 4.19Å; L47-F51 WeakPolarHBondContact O-CB 3.02Å; L47-F51 PolarHBondContact O-N 2.84Å; L47-F80 HydrophobicContact CD2-CE1 3.64Å; L47-F80 HydrophobicContact CD2-CZ 4.1Å; L47-A84 HydrophobicContact CD2-CB 3.58Å; L47-F90 HydrophobicContact CD2-CD1 4.15Å; L47-F90 HydrophobicContact CD2-CE1 4.13Å; L47-A91 HydrophobicContact CD1-CB 3.75Å; L47-T92 HydrophobicContact CB-CG2 4.45Å; L47-L109 HydrophobicContact CD1-CD2 4.16Å
48	E	98	Very high	97.9	Very high	34 Å²	34	61.3 Å²	61.3	16%	0.159	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-67.5	-11.8	-179.6	-66	175.5	-111.1	0	0	113.4	K44 S45 R46 V81 R85	K44-E48 WeakPolarHBondContact CA-OE1 3.28Å; K44-E48 VanDerWaalsContact CB-OE1 3.31Å; K44-E48 WeakPolarHBondContact CB-OE1 3.39Å; K44-E48 WeakPolarHBondContact CD-OE2 3.28Å; K44-E48 WeakPolarHBondContact CG-OE2 3.35Å; S45-E48 PolarHBondContact N-OE1 3.46Å; S45-E48 VanDerWaalsContact N-OE1 3.13Å; S45-E48 WeakPolarHBondContact O-CB 3.19Å; S45-E48 PolarHBondContact O-N 3.4Å; R46-E48 PolarHBondContact O-N 3.19Å; E48-V81 HydrophobicContact CG-CB 3.8Å; E48-V81 HydrophobicContact CG-CG1 3.92Å; E48-V81 HydrophobicContact CG-CG2 4.49Å; E48-R85 WeakPolarHBondContact OE1-CG 3.03Å; E48-R85 IonicContact OE1-CZ 3.12Å; E48-R85 IonicContact OE1-NE 3.99Å; E48-R85 PolarHBondContact OE1-NE 3.11Å; E48-R85 IonicContact OE1-NH2 2.82Å; E48-R85 PolarHBondContact OE1-NH2 3.41Å; E48-R85 IonicContact OE2-CZ 3.92Å; E48-R85 IonicContact OE2-NE 3.34Å; E48-R85 IonicContact OE2-NH2 2.72Å; E48-R85 PolarHBondContact OE2-NH2 3.16Å
49	S	97.7	Very high	97.8	Very high	92 Å²	92	60.7 Å²	60.7	64%	0.643	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-82.3	-15.3	178.5	82.4	0	0	0	0	113.5	R46 L47	R46-S49 WeakPolarHBondContact O-CB 3.02Å; R46-S49 PolarHBondContact O-N 3.46Å; R46-S49 PolarHBondContact O-OG 3.32Å; L47-S49 PolarHBondContact O-N 3.29Å; L47-S49 VanDerWaalsContact O-N 3.14Å
50	W	97.9	Very high	97.9	Very high	34 Å²	34	57.4 Å²	57.4	13%	0.129	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137	-29.9	-173.2	71.6	-96	0	0	0	113.4	L47 M55 A91 Y105 K106 L109 F333	L47-W50 HydrophobicContact CD1-CH2 4.31Å; L47-W50 HydrophobicContact CD1-CZ2 3.52Å; L47-W50 PolarHBondContact O-N 2.54Å; W50-M55 HydrophobicContact CE3-CE 4.43Å; W50-M55 HydrophobicContact CZ3-CE 4.24Å; W50-M55 VanDerWaalsContact O-SD 3.36Å; W50-A91 HydrophobicContact CZ2-CB 4.27Å; W50-A91 PolarHBondContact NE1-O 3.17Å; W50-Y105 AromaticContact CD1-CE2 3.84Å; W50-Y105 HydrophobicContact CD2-CD2 4.13Å; W50-Y105 AromaticContact CD2-CE2 3.83Å; W50-Y105 HydrophobicContact CD2-CE2 3.83Å; W50-Y105 AromaticContact CE2-CD2 3.47Å; W50-Y105 VanDerWaalsContact CE2-CD2 3.47Å; W50-Y105 AromaticContact CE2-CE2 3.67Å; W50-Y105 HydrophobicContact CG-CD2 4.47Å; W50-Y105 AromaticContact CG-CE2 3.93Å; W50-Y105 HydrophobicContact CG-CE2 3.93Å; W50-Y105 HydrophobicContact CH2-CD2 4.44Å; W50-Y105 AromaticContact CZ2-CD2 3.65Å; W50-Y105 HydrophobicContact CZ2-CD2 3.65Å; W50-Y105 HydrophobicContact CZ2-CE2 4.19Å; W50-Y105 AromaticContact NE1-CD2 3.45Å; W50-Y105 AromaticContact NE1-CE2 3.65Å; W50-K106 HydrophobicContact CE3-CG 4.25Å; W50-K106 HydrophobicContact CH2-CB 4.38Å; W50-K106 HydrophobicContact CH2-CG 3.7Å; W50-K106 HydrophobicContact CZ2-CG 4.23Å; W50-K106 HydrophobicContact CZ3-CG 3.74Å; W50-L109 HydrophobicContact CH2-CB 3.96Å; W50-L109 HydrophobicContact CH2-CD2 3.3Å; W50-L109 HydrophobicContact CH2-CG 4.25Å; W50-L109 HydrophobicContact CZ2-CB 4.3Å; W50-L109 HydrophobicContact CZ2-CD2 3.93Å; W50-L109 HydrophobicContact CZ3-CD2 4.02Å; W50-F333 HydrophobicContact CZ3-CD1 4.23Å; W50-F333 HydrophobicContact CZ3-CE1 4.14Å
51	F	98.5	Very high	97.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	-94.9	109.6	176.8	-175.8	-110.2	0	0	0	109.9	L47 M55 F56 L59 Y77 F80 L109 F113 F333	L47-F51 HydrophobicContact CD1-CB 3.61Å; L47-F51 HydrophobicContact CD1-CD1 4.45Å; L47-F51 HydrophobicContact CD1-CG 4.22Å; L47-F51 HydrophobicContact CG-CB 4.19Å; L47-F51 WeakPolarHBondContact O-CB 3.02Å; L47-F51 PolarHBondContact O-N 2.84Å; F51-M55 HydrophobicContact CD2-CB 4.13Å; F51-M55 HydrophobicContact CD2-CE 3.96Å; F51-M55 HydrophobicContact CD2-SD 4.36Å; F51-M55 HydrophobicContact CE2-CB 3.94Å; F51-M55 HydrophobicContact CE2-CE 4.46Å; F51-F56 HydrophobicContact CE1-CB 4.01Å; F51-F56 AromaticContact CE1-CD2 3.84Å; F51-F56 HydrophobicContact CE1-CD2 3.84Å; F51-F56 HydrophobicContact CE1-CG 4.43Å; F51-F56 HydrophobicContact CZ-CB 3.83Å; F51-F56 AromaticContact CZ-CD2 3.88Å; F51-F56 HydrophobicContact CZ-CD2 3.88Å; F51-F56 HydrophobicContact CZ-CG 4.36Å; F51-L59 HydrophobicContact CE2-CD1 4.02Å; F51-Y77 HydrophobicContact CD1-CE2 4.18Å; F51-Y77 HydrophobicContact CE1-CD2 4.4Å; F51-Y77 HydrophobicContact CE1-CE2 4.43Å; F51-Y77 WeakPolarHBondContact O-CE2 3.33Å; F51-Y77 PolarHBondContact O-OH 2.96Å; F51-Y77 VanDerWaalsContact O-OH 3.13Å; F51-F80 HydrophobicContact CD1-CD1 4.08Å; F51-F80 AromaticContact CD1-CE1 3.67Å; F51-F80 HydrophobicContact CD1-CE1 3.67Å; F51-F80 AromaticContact CE1-CD1 3.7Å; F51-F80 HydrophobicContact CE1-CD1 3.7Å; F51-F80 AromaticContact CE1-CE1 3.48Å; F51-F80 HydrophobicContact CE1-CE1 3.48Å; F51-F80 VanDerWaalsContact CE1-CE1 3.48Å; F51-F80 HydrophobicContact CE1-CZ 4.34Å; F51-F80 HydrophobicContact CZ-CE1 4.5Å; F51-L109 HydrophobicContact CB-CD2 4.36Å; F51-L109 HydrophobicContact CD1-CD2 4.35Å; F51-L109 HydrophobicContact CD2-CD2 3.5Å; F51-L109 VanDerWaalsContact CD2-CD2 3.5Å; F51-L109 HydrophobicContact CE2-CD2 3.79Å; F51-L109 HydrophobicContact CG-CD2 3.81Å; F51-L109 HydrophobicContact CZ-CD2 4.33Å; F51-F113 HydrophobicContact CE1-CZ 4.19Å; F51-F113 AromaticContact CE2-CE2 3.93Å; F51-F113 HydrophobicContact CE2-CE2 3.93Å; F51-F113 HydrophobicContact CE2-CZ 4.12Å; F51-F113 AromaticContact CZ-CE2 3.88Å; F51-F113 HydrophobicContact CZ-CE2 3.88Å; F51-F113 AromaticContact CZ-CZ 3.61Å; F51-F113 HydrophobicContact CZ-CZ 3.61Å; F51-F333 HydrophobicContact CD2-CE1 4.5Å; F51-F333 HydrophobicContact CE2-CZ 4.48Å
52	T	98.5	Very high	97.8	Very high	49 Å²	49	51.5 Å²	51.5	30%	0.301	26%	0.259	S	S	.	.			trans	-100.3	167.9	-171.1	82	0	0	0	0	113.3	E54 M55 F56	T52-E54 VanDerWaalsContact C-N 3.27Å; T52-E54 WeakPolarHBondContact CB-OE2 3.35Å; T52-E54 PolarHBondContact O-N 2.99Å; T52-E54 PolarHBondContact OG1-N 2.96Å; T52-E54 PolarHBondContact OG1-OE2 3.4Å; T52-M55 HydrophobicContact CG2-SD 4.36Å; T52-M55 PolarHBondContact O-N 2.71Å; T52-M55 PolarHBondContact OG1-N 2.77Å; T52-F56 PolarHBondContact O-N 2.68Å
53	K	98.4	Very high	97.8	Very high	90 Å²	90	48.2 Å²	48.2	39%	0.391	25%	0.246	S	C	.	.	H	α-helix	trans	-61.5	-37.3	174.1	-176	166	-175.4	162.7	0	112.1	M55 F56 N57 Y77 D78	K53-M55 VanDerWaalsContact C-N 3.34Å; K53-F56 PolarHBondContact O-N 2.91Å; K53-N57 WeakPolarHBondContact O-CB 3.39Å; K53-N57 PolarHBondContact O-N 2.63Å; K53-Y77 HydrophobicContact CB-CD1 3.67Å; K53-Y77 HydrophobicContact CB-CD2 4.16Å; K53-Y77 HydrophobicContact CB-CE1 4.02Å; K53-Y77 HydrophobicContact CB-CE2 4.48Å; K53-Y77 HydrophobicContact CB-CG 3.72Å; K53-Y77 HydrophobicContact CD-CD1 4.17Å; K53-Y77 HydrophobicContact CG-CD1 4.03Å; K53-Y77 HydrophobicContact CG-CG 3.96Å; K53-D78 IonicContact NZ-OD2 2.84Å
54	E	98.2	Very high	97.8	Very high	120 Å²	120	43.4 Å²	43.4	56%	0.561	22%	0.215	S	C	*	.	H	α-helix	trans	-63	-43.7	176.7	-60.4	68.5	-145.8	0	0	110.2	T52 N57 D58	T52-E54 VanDerWaalsContact C-N 3.27Å; T52-E54 WeakPolarHBondContact CB-OE2 3.35Å; T52-E54 PolarHBondContact O-N 2.99Å; T52-E54 PolarHBondContact OG1-N 2.96Å; T52-E54 PolarHBondContact OG1-OE2 3.4Å; E54-N57 PolarHBondContact O-N 3.37Å; E54-D58 WeakPolarHBondContact O-CB 3.33Å; E54-D58 PolarHBondContact O-N 3.48Å
55	M	98.3	Very high	97.8	Very high	39 Å²	39	36 Å²	36	19%	0.192	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-45.5	175.4	-64.9	173.6	67.1	0	0	111.8	W50 F51 T52 K53 N57 D58 L59 Y332 F333	W50-M55 HydrophobicContact CE3-CE 4.43Å; W50-M55 HydrophobicContact CZ3-CE 4.24Å; W50-M55 VanDerWaalsContact O-SD 3.36Å; F51-M55 HydrophobicContact CD2-CB 4.13Å; F51-M55 HydrophobicContact CD2-CE 3.96Å; F51-M55 HydrophobicContact CD2-SD 4.36Å; F51-M55 HydrophobicContact CE2-CB 3.94Å; F51-M55 HydrophobicContact CE2-CE 4.46Å; T52-M55 HydrophobicContact CG2-SD 4.36Å; T52-M55 PolarHBondContact O-N 2.71Å; T52-M55 PolarHBondContact OG1-N 2.77Å; K53-M55 VanDerWaalsContact C-N 3.34Å; M55-N57 VanDerWaalsContact C-N 3.32Å; M55-N57 PolarHBondContact O-N 3.21Å; M55-D58 PolarHBondContact O-N 2.64Å; M55-L59 WeakPolarHBondContact O-CB 3.05Å; M55-L59 VanDerWaalsContact O-CG 3.25Å; M55-L59 WeakPolarHBondContact O-CG 3.15Å; M55-L59 PolarHBondContact O-N 3.32Å; M55-Y332 HydrophobicContact CE-CE1 4.25Å; M55-F333 HydrophobicContact CE-CD1 3.91Å; M55-F333 HydrophobicContact CE-CE1 3.59Å
56	F	98.6	Very high	97.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.8	-43.9	177.1	-173.6	-83.2	0	0	0	111.7	F51 T52 K53 L59 F60 P69 Y77 F80	F51-F56 HydrophobicContact CE1-CB 4.01Å; F51-F56 AromaticContact CE1-CD2 3.84Å; F51-F56 HydrophobicContact CE1-CD2 3.84Å; F51-F56 HydrophobicContact CE1-CG 4.43Å; F51-F56 HydrophobicContact CZ-CB 3.83Å; F51-F56 AromaticContact CZ-CD2 3.88Å; F51-F56 HydrophobicContact CZ-CD2 3.88Å; F51-F56 HydrophobicContact CZ-CG 4.36Å; T52-F56 PolarHBondContact O-N 2.68Å; K53-F56 PolarHBondContact O-N 2.91Å; F56-L59 PolarHBondContact O-N 2.04Å; F56-F60 HydrophobicContact CD1-CD2 4.26Å; F56-F60 AromaticContact CD2-CD2 3.81Å; F56-F60 HydrophobicContact CD2-CD2 3.81Å; F56-F60 HydrophobicContact CD2-CE2 4.06Å; F56-F60 HydrophobicContact CE1-CB 4.46Å; F56-F60 HydrophobicContact CE1-CD2 4.19Å; F56-F60 AromaticContact CE2-CD2 3.76Å; F56-F60 HydrophobicContact CE2-CD2 3.76Å; F56-F60 HydrophobicContact CE2-CE2 4.1Å; F56-F60 HydrophobicContact CG-CD2 4.08Å; F56-F60 AromaticContact CZ-CD2 3.95Å; F56-F60 HydrophobicContact CZ-CD2 3.95Å; F56-F60 WeakPolarHBondContact O-CD2 3.49Å; F56-F60 PolarHBondContact O-N 2.66Å; F56-P69 HydrophobicContact CD1-CB 4.23Å; F56-P69 HydrophobicContact CE1-CB 3.96Å; F56-Y77 HydrophobicContact CB-CD2 3.87Å; F56-Y77 HydrophobicContact CB-CG 4.49Å; F56-Y77 HydrophobicContact CG-CD2 4.39Å; F56-F80 HydrophobicContact CD2-CB 4.27Å; F56-F80 HydrophobicContact CD2-CD1 4.4Å; F56-F80 HydrophobicContact CD2-CG 4.2Å; F56-F80 HydrophobicContact CE2-CB 3.82Å; F56-F80 HydrophobicContact CE2-CD2 4.1Å; F56-F80 AromaticContact CE2-CG 3.9Å; F56-F80 HydrophobicContact CE2-CG 3.9Å
57	N	97.6	Very high	97.9	Very high	59 Å²	59	33.9 Å²	33.9	32%	0.316	18%	0.175	S	C	.	.	H	α-helix	trans	-70.7	-33.2	-179.3	-69.7	-7.4	0	0	0	112.9	K53 E54 M55 P69	K53-N57 WeakPolarHBondContact O-CB 3.39Å; K53-N57 PolarHBondContact O-N 2.63Å; E54-N57 PolarHBondContact O-N 3.37Å; M55-N57 VanDerWaalsContact C-N 3.32Å; M55-N57 PolarHBondContact O-N 3.21Å; N57-P69 HydrophobicContact CB-CG 4.22Å; N57-P69 WeakPolarHBondContact OD1-CG 3.39Å
58	D	96.7	Very high	97.8	Very high	29 Å²	29	34.1 Å²	34.1	16%	0.155	18%	0.178	C	C	.	.	H	α-helix	trans	-68.3	-41.2	172.9	-177	74.4	0	0	0	112	L14 E54 M55 P61 R143 Y332	L14-D58 HydrophobicContact CD2-CB 3.9Å; E54-D58 WeakPolarHBondContact O-CB 3.33Å; E54-D58 PolarHBondContact O-N 3.48Å; M55-D58 PolarHBondContact O-N 2.64Å; D58-P61 VanDerWaalsContact O-CD 3.31Å; D58-P61 WeakPolarHBondContact O-CD 3.39Å; D58-R143 WeakPolarHBondContact O-CD 3.49Å; D58-R143 PolarHBondContact O-NE 3.22Å; D58-R143 IonicContact OD1-NE 3.54Å; D58-R143 IonicContact OD1-NH2 2.92Å; D58-R143 IonicContact OD2-CZ 3.55Å; D58-R143 IonicContact OD2-NE 2.64Å; D58-R143 PolarHBondContact OD2-NE 3.34Å; D58-R143 IonicContact OD2-NH2 3.52Å; D58-R143 PolarHBondContact OD2-NH2 3.41Å; D58-Y332 WeakPolarHBondContact OD2-CE2 3.14Å; D58-Y332 PolarHBondContact OD2-OH 2.67Å
59	L	97.6	Very high	97.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-74.8	-31.9	-178.3	-73	175.8	0	0	0	113	F51 M55 F56 F113 R143 W328 F329 Y332 F333	F51-L59 HydrophobicContact CE2-CD1 4.02Å; M55-L59 WeakPolarHBondContact O-CB 3.05Å; M55-L59 VanDerWaalsContact O-CG 3.25Å; M55-L59 WeakPolarHBondContact O-CG 3.15Å; M55-L59 PolarHBondContact O-N 3.32Å; F56-L59 PolarHBondContact O-N 2.04Å; L59-F113 HydrophobicContact CD1-CD2 4.36Å; L59-F113 HydrophobicContact CD1-CE2 3.97Å; L59-R143 VanDerWaalsContact O-CA 3.22Å; L59-R143 WeakPolarHBondContact O-CA 3.35Å; L59-W328 HydrophobicContact CD2-CH2 3.75Å; L59-W328 HydrophobicContact CD2-CZ3 3.7Å; L59-F329 HydrophobicContact CD1-CE1 4.4Å; L59-F329 HydrophobicContact CD2-CD1 4.14Å; L59-F329 HydrophobicContact CD2-CE1 3.9Å; L59-Y332 HydrophobicContact CD1-CD1 4.26Å; L59-Y332 HydrophobicContact CD1-CE1 3.87Å; L59-Y332 HydrophobicContact CD2-CD1 3.72Å; L59-Y332 HydrophobicContact CD2-CD2 3.85Å; L59-Y332 HydrophobicContact CD2-CE1 3.65Å; L59-Y332 HydrophobicContact CD2-CE2 3.79Å; L59-Y332 HydrophobicContact CD2-CG 3.83Å; L59-Y332 HydrophobicContact CG-CD1 4.34Å; L59-Y332 HydrophobicContact CG-CE1 3.85Å; L59-Y332 HydrophobicContact CG-CE2 4.46Å; L59-F333 HydrophobicContact CD1-CE1 4.14Å; L59-F333 HydrophobicContact CD1-CZ 3.89Å
60	F	97.7	Very high	97.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.			trans	-127.7	49.7	-173.7	-49.1	-61	0	0	0	114.1	F56 K62 A63 P69 F113 F146 F329	F56-F60 HydrophobicContact CD1-CD2 4.26Å; F56-F60 AromaticContact CD2-CD2 3.81Å; F56-F60 HydrophobicContact CD2-CD2 3.81Å; F56-F60 HydrophobicContact CD2-CE2 4.06Å; F56-F60 HydrophobicContact CE1-CB 4.46Å; F56-F60 HydrophobicContact CE1-CD2 4.19Å; F56-F60 AromaticContact CE2-CD2 3.76Å; F56-F60 HydrophobicContact CE2-CD2 3.76Å; F56-F60 HydrophobicContact CE2-CE2 4.1Å; F56-F60 HydrophobicContact CG-CD2 4.08Å; F56-F60 AromaticContact CZ-CD2 3.95Å; F56-F60 HydrophobicContact CZ-CD2 3.95Å; F56-F60 WeakPolarHBondContact O-CD2 3.49Å; F56-F60 PolarHBondContact O-N 2.66Å; F60-K62 PolarHBondContact O-N 3.1Å; F60-K62 VanDerWaalsContact O-N 3.12Å; F60-A63 HydrophobicContact CB-CB 4.18Å; F60-A63 WeakPolarHBondContact O-CB 3.26Å; F60-A63 PolarHBondContact O-N 2.87Å; F60-A63 VanDerWaalsContact O-N 3.11Å; F60-P69 WeakPolarHBondContact O-CD 3.3Å; F60-F113 HydrophobicContact CE2-CD1 4.13Å; F60-F113 HydrophobicContact CE2-CD2 4.23Å; F60-F113 AromaticContact CE2-CE1 3.74Å; F60-F113 HydrophobicContact CE2-CE1 3.74Å; F60-F113 AromaticContact CE2-CE2 3.83Å; F60-F113 HydrophobicContact CE2-CE2 3.83Å; F60-F113 HydrophobicContact CE2-CG 4.38Å; F60-F113 AromaticContact CE2-CZ 3.58Å; F60-F113 HydrophobicContact CE2-CZ 3.58Å; F60-F113 HydrophobicContact CZ-CB 4.22Å; F60-F113 AromaticContact CZ-CD1 3.62Å; F60-F113 HydrophobicContact CZ-CD1 3.62Å; F60-F113 AromaticContact CZ-CD2 3.66Å; F60-F113 HydrophobicContact CZ-CD2 3.66Å; F60-F113 AromaticContact CZ-CE1 3.74Å; F60-F113 HydrophobicContact CZ-CE1 3.74Å; F60-F113 AromaticContact CZ-CE2 3.75Å; F60-F113 HydrophobicContact CZ-CE2 3.75Å; F60-F113 AromaticContact CZ-CG 3.6Å; F60-F113 HydrophobicContact CZ-CG 3.6Å; F60-F113 AromaticContact CZ-CZ 3.8Å; F60-F113 HydrophobicContact CZ-CZ 3.8Å; F60-F146 HydrophobicContact CB-CD2 4.44Å; F60-F146 AromaticContact CD1-CD2 3.44Å; F60-F146 HydrophobicContact CD1-CD2 3.44Å; F60-F146 VanDerWaalsContact CD1-CD2 3.44Å; F60-F146 AromaticContact CD1-CE2 3.99Å; F60-F146 HydrophobicContact CD1-CE2 3.99Å; F60-F146 AromaticContact CD2-CD2 3.89Å; F60-F146 HydrophobicContact CD2-CD2 3.89Å; F60-F146 AromaticContact CD2-CE2 3.99Å; F60-F146 HydrophobicContact CD2-CE2 3.99Å; F60-F146 AromaticContact CE1-CD2 3.54Å; F60-F146 HydrophobicContact CE1-CD2 3.54Å; F60-F146 AromaticContact CE1-CE2 3.63Å; F60-F146 HydrophobicContact CE1-CE2 3.63Å; F60-F146 AromaticContact CE2-CD2 3.98Å; F60-F146 HydrophobicContact CE2-CD2 3.98Å; F60-F146 AromaticContact CE2-CE2 3.63Å; F60-F146 HydrophobicContact CE2-CE2 3.63Å; F60-F146 AromaticContact CG-CD2 3.63Å; F60-F146 HydrophobicContact CG-CD2 3.63Å; F60-F146 HydrophobicContact CG-CE2 4.16Å; F60-F146 HydrophobicContact CG-CG 4.5Å; F60-F146 AromaticContact CZ-CD2 3.82Å; F60-F146 HydrophobicContact CZ-CD2 3.82Å; F60-F146 AromaticContact CZ-CE2 3.45Å; F60-F146 HydrophobicContact CZ-CE2 3.45Å; F60-F146 VanDerWaalsContact CZ-CE2 3.45Å; F60-F329 HydrophobicContact CE1-CE1 4.16Å; F60-F329 AromaticContact CE1-CZ 3.98Å; F60-F329 HydrophobicContact CE1-CZ 3.98Å; F60-F329 HydrophobicContact CZ-CE1 4.13Å; F60-F329 HydrophobicContact CZ-CZ 4.3Å
61	P	96.9	Very high	97.6	Very high	59 Å²	59	31.8 Å²	31.8	38%	0.383	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.4	-176.8	28.7	-36.5	0	0	0	112.9	D58 G68 R143	D58-P61 VanDerWaalsContact O-CD 3.31Å; D58-P61 WeakPolarHBondContact O-CD 3.39Å; P61-G68 WeakPolarHBondContact O-CA 3.47Å; P61-R143 HydrophobicContact CG-CB 4.07Å
62	K	96.9	Very high	97.5	Very high	12 Å²	12	33.5 Å²	33.5	5%	0.052	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	4.8	-179.9	-52	-172.5	176.6	170.3	0	113.5	A22 F60 G66 E122 C140 Y147	A22-K62 HydrophobicContact CB-CB 4.01Å; A22-K62 HydrophobicContact CB-CD 3.93Å; A22-K62 HydrophobicContact CB-CG 3.86Å; F60-K62 PolarHBondContact O-N 3.1Å; F60-K62 VanDerWaalsContact O-N 3.12Å; K62-G66 VanDerWaalsContact O-CA 3.3Å; K62-G66 WeakPolarHBondContact O-CA 3.41Å; K62-G66 PolarHBondContact O-N 3.1Å; K62-E122 WeakPolarHBondContact CD-OE2 3.09Å; K62-E122 WeakPolarHBondContact CE-OE2 3.41Å; K62-E122 IonicContact NZ-OE2 2.76Å; K62-E122 PolarHBondContact NZ-OE2 3.09Å; K62-C140 PolarHBondContact NZ-O 3.44Å; K62-Y147 HydrophobicContact CB-CD2 4.06Å; K62-Y147 HydrophobicContact CB-CE2 4.46Å; K62-Y147 WeakPolarHBondContact O-CD2 3.43Å
63	A	98.2	Very high	97.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	159.5	-176.3	0	0	0	0	0	112.9	F60 W67 G68 F146	F60-A63 HydrophobicContact CB-CB 4.18Å; F60-A63 WeakPolarHBondContact O-CB 3.26Å; F60-A63 PolarHBondContact O-N 2.87Å; F60-A63 VanDerWaalsContact O-N 3.11Å; A63-W67 PolarHBondContact O-N 2.83Å; A63-G68 CarbonylContact O-C 3.58Å; A63-G68 VanDerWaalsContact O-CA 3.26Å; A63-G68 WeakPolarHBondContact O-CA 3.41Å; A63-G68 PolarHBondContact O-N 3.34Å; A63-F146 CarbonylContact C-O 3.56Å; A63-F146 WeakPolarHBondContact CA-O 3.29Å; A63-F146 HydrophobicContact CB-CB 4.03Å; A63-F146 WeakPolarHBondContact CB-O 3.48Å
64	N	98.2	Very high	97.4	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	61	176.8	-51	-67.2	0	0	0	112.5	G66 W67 G68 S73 Y75 F146 W149	N64-G66 VanDerWaalsContact C-N 3.28Å; N64-G66 PolarHBondContact O-N 2.68Å; N64-W67 WeakPolarHBondContact O-CB 3.44Å; N64-W67 VanDerWaalsContact O-CD1 3.32Å; N64-W67 PolarHBondContact O-N 3Å; N64-W67 VanDerWaalsContact O-N 3.16Å; N64-G68 PolarHBondContact ND2-O 3.3Å; N64-S73 WeakPolarHBondContact ND2-CB 3.04Å; N64-S73 VanDerWaalsContact OD1-CB 3.3Å; N64-S73 WeakPolarHBondContact OD1-CB 3.45Å; N64-Y75 PolarHBondContact ND2-O 3.06Å; N64-Y75 WeakPolarHBondContact OD1-CB 3.42Å; N64-Y75 WeakPolarHBondContact OD1-CD2 3.42Å; N64-Y75 PolarHBondContact OD1-N 3.2Å; N64-F146 PolarHBondContact N-O 2.92Å; N64-W149 HydrophobicContact CB-CZ2 3.92Å; N64-W149 PolarHBondContact OD1-NE1 2.91Å
65	L	97.9	Very high	97.4	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	38.5	175.4	-51.4	176.8	0	0	0	113.6	K24 Y25 W67 Y147 W149 P154	K24-L65 WeakPolarHBondContact CA-O 3.34Å; Y25-L65 PolarHBondContact N-O 2.97Å; L65-W67 VanDerWaalsContact C-N 3.34Å; L65-W67 PolarHBondContact O-N 3.32Å; L65-Y147 HydrophobicContact CD2-CD1 4.38Å; L65-Y147 HydrophobicContact CD2-CE1 4.29Å; L65-Y147 PolarHBondContact N-O 3.17Å; L65-W149 HydrophobicContact CD1-CD2 4.46Å; L65-W149 HydrophobicContact CD1-CE3 3.86Å; L65-W149 HydrophobicContact CD1-CH2 4.01Å; L65-W149 HydrophobicContact CD1-CZ3 3.58Å; L65-W149 HydrophobicContact CG-CE3 4.39Å; L65-W149 HydrophobicContact CG-CH2 4.49Å; L65-W149 HydrophobicContact CG-CZ3 4.34Å; L65-P154 HydrophobicContact CD2-CB 3.81Å
66	G	97.8	Very high	97.4	Very high	6 Å²	6	20.1 Å²	20.1	6%	0.062	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	1.1	178.2	0	0	0	0	0	115.3	K24 K62 N64 G68	K24-G66 WeakPolarHBondContact CE-O 3.48Å; K62-G66 VanDerWaalsContact O-CA 3.3Å; K62-G66 WeakPolarHBondContact O-CA 3.41Å; K62-G66 PolarHBondContact O-N 3.1Å; N64-G66 VanDerWaalsContact C-N 3.28Å; N64-G66 PolarHBondContact O-N 2.68Å; G66-G68 VanDerWaalsContact C-N 3.32Å
67	W	97.6	Very high	97.4	Very high	85 Å²	85	21.6 Å²	21.6	32%	0.322	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-12.9	178.1	-69.2	97.3	0	0	0	114	K24 Y25 G28 A63 N64 L65	K24-W67 HydrophobicContact CB-CZ2 3.93Å; K24-W67 HydrophobicContact CD-CD2 3.95Å; K24-W67 HydrophobicContact CD-CE3 3.85Å; K24-W67 HydrophobicContact CD-CH2 3.89Å; K24-W67 HydrophobicContact CD-CZ2 3.97Å; K24-W67 HydrophobicContact CD-CZ3 3.83Å; K24-W67 HydrophobicContact CG-CD2 4.35Å; K24-W67 HydrophobicContact CG-CZ2 4.44Å; Y25-W67 PolarHBondContact O-NE1 3.37Å; G28-W67 VanDerWaalsContact CA-CD2 3.44Å; A63-W67 PolarHBondContact O-N 2.83Å; N64-W67 WeakPolarHBondContact O-CB 3.44Å; N64-W67 VanDerWaalsContact O-CD1 3.32Å; N64-W67 PolarHBondContact O-N 3Å; N64-W67 VanDerWaalsContact O-N 3.16Å; L65-W67 VanDerWaalsContact C-N 3.34Å; L65-W67 PolarHBondContact O-N 3.32Å
68	G	97.2	Very high	97.5	Very high	5 Å²	5	21.9 Å²	21.9	5%	0.052	13%	0.125	C	C	.	.			trans	78.2	175.8	-176.6	0	0	0	0	0	113.2	P61 A63 N64 G66 N70	P61-G68 WeakPolarHBondContact O-CA 3.47Å; A63-G68 CarbonylContact O-C 3.58Å; A63-G68 VanDerWaalsContact O-CA 3.26Å; A63-G68 WeakPolarHBondContact O-CA 3.41Å; A63-G68 PolarHBondContact O-N 3.34Å; N64-G68 PolarHBondContact ND2-O 3.3Å; G66-G68 VanDerWaalsContact C-N 3.32Å; G68-N70 PolarHBondContact O-N 2.88Å; G68-N70 PolarHBondContact O-ND2 3.33Å
69	P	97.5	Very high	97.5	Very high	33 Å²	33	20.5 Å²	20.5	21%	0.214	12%	0.118	C	C	.	.	S	Bend	trans	-68.9	125.7	177.9	28.2	-31.9	0	0	0	110.2	F56 N57 F60 Y75 N76	F56-P69 HydrophobicContact CD1-CB 4.23Å; F56-P69 HydrophobicContact CE1-CB 3.96Å; N57-P69 HydrophobicContact CB-CG 4.22Å; N57-P69 WeakPolarHBondContact OD1-CG 3.39Å; F60-P69 WeakPolarHBondContact O-CD 3.3Å; P69-Y75 WeakPolarHBondContact CA-O 3.23Å; P69-N76 HydrophobicContact CB-CB 4.45Å
70	N	96.2	Very high	97.6	Very high	32 Å²	32	20.5 Å²	20.5	17%	0.171	12%	0.118	C	C	.	.			trans	-147.7	157.3	179.3	66.7	82.9	0	0	0	110.3	P29 G68 C72 S73 N76	P29-N70 VanDerWaalsContact CB-OD1 3.26Å; P29-N70 WeakPolarHBondContact CB-OD1 3.47Å; G68-N70 PolarHBondContact O-N 2.88Å; G68-N70 PolarHBondContact O-ND2 3.33Å; N70-C72 PolarHBondContact O-N 3.25Å; N70-C72 WeakPolarHBondContact OD1-CA 3.35Å; N70-C72 PolarHBondContact OD1-N 3.04Å; N70-C72 VanDerWaalsContact OD1-N 3.08Å; N70-S73 VanDerWaalsContact CG-OG 3.25Å; N70-S73 WeakPolarHBondContact ND2-CB 3.08Å; N70-S73 PolarHBondContact ND2-OG 2.85Å; N70-S73 PolarHBondContact O-N 3.06Å; N70-S73 WeakPolarHBondContact OD1-CB 3.31Å; N70-S73 PolarHBondContact OD1-N 3.28Å; N70-S73 PolarHBondContact OD1-OG 2.64Å; N70-N76 WeakPolarHBondContact O-CB 3.26Å
71	A	95.7	Very high	97.6	Very high	47 Å²	47	20.7 Å²	20.7	39%	0.388	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.3	-173.9	0	0	0	0	0	114.4	F36	F36-A71 WeakPolarHBondContact CD2-O 3.19Å; F36-A71 WeakPolarHBondContact CE2-O 3.27Å
72	C	96.2	Very high	97.7	Very high	35 Å²	35	18.4 Å²	18.4	24%	0.236	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	1.4	-176	-59.7	0	0	0	0	114	P29 P30 C33 N70	P29-C72 HydrophobicContact CB-CB 3.94Å; P30-C72 HydrophobicContact CG-CB 4.27Å; C33-C72 HydrophobicContact CB-CB 3.48Å; C33-C72 VanDerWaalsContact CB-CB 3.48Å; C33-C72 WeakPolarHBondContact CB-SG 3.39Å; C33-C72 WeakPolarHBondContact SG-CA 3.31Å; C33-C72 WeakPolarHBondContact SG-CB 3.43Å; C33-C72 CovalentContact SG-SG 2.02Å; C33-C72 PolarHBondContact SG-SG 3.43Å; N70-C72 PolarHBondContact O-N 3.25Å; N70-C72 WeakPolarHBondContact OD1-CA 3.35Å; N70-C72 PolarHBondContact OD1-N 3.04Å; N70-C72 VanDerWaalsContact OD1-N 3.08Å
73	S	97	Very high	97.8	Very high	6 Å²	6	17.8 Å²	17.8	4%	0.042	10%	0.101	C	C	.	.	S	Bend	trans	-119.4	148.7	-178.8	-57.1	0	0	0	0	111	F36 N64 N70 Y75 N76	F36-S73 WeakPolarHBondContact CE2-O 3.27Å; F36-S73 WeakPolarHBondContact CZ-O 3.14Å; N64-S73 WeakPolarHBondContact ND2-CB 3.04Å; N64-S73 VanDerWaalsContact OD1-CB 3.3Å; N64-S73 WeakPolarHBondContact OD1-CB 3.45Å; N70-S73 VanDerWaalsContact CG-OG 3.25Å; N70-S73 WeakPolarHBondContact ND2-CB 3.08Å; N70-S73 PolarHBondContact ND2-OG 2.85Å; N70-S73 PolarHBondContact O-N 3.06Å; N70-S73 WeakPolarHBondContact OD1-CB 3.31Å; N70-S73 PolarHBondContact OD1-N 3.28Å; N70-S73 PolarHBondContact OD1-OG 2.64Å; S73-Y75 PolarHBondContact O-N 2.64Å; S73-Y75 VanDerWaalsContact O-N 3.11Å; S73-N76 PolarHBondContact O-ND2 3.14Å
74	P	97.7	Very high	97.8	Very high	5 Å²	5	17.9 Å²	17.9	3%	0.032	10%	0.101	C	C	.	.	S	Bend	trans	-55.7	-31.1	-174.5	-27.6	35.7	0	0	0	115	S79 P168 M245 A253	P74-S79 WeakPolarHBondContact O-CB 3.14Å; P74-S79 PolarHBondContact O-OG 3.1Å; P74-S79 VanDerWaalsContact O-OG 3.07Å; P74-P168 HydrophobicContact CG-CB 4.24Å; P74-P168 HydrophobicContact CG-CG 3.84Å; P74-M245 HydrophobicContact CB-CE 3.82Å; P74-M245 HydrophobicContact CG-CE 3.77Å; P74-A253 HydrophobicContact CB-CB 3.81Å
75	Y	98.4	Very high	97.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-100.7	93.6	-178.1	-50.1	-35.4	0	0	0	111.4	N64 P69 S73 F146 N148 W149 G211 P212 M245 A253 I254	N64-Y75 PolarHBondContact ND2-O 3.06Å; N64-Y75 WeakPolarHBondContact OD1-CB 3.42Å; N64-Y75 WeakPolarHBondContact OD1-CD2 3.42Å; N64-Y75 PolarHBondContact OD1-N 3.2Å; P69-Y75 WeakPolarHBondContact CA-O 3.23Å; S73-Y75 PolarHBondContact O-N 2.64Å; S73-Y75 VanDerWaalsContact O-N 3.11Å; Y75-F146 AromaticContact CD1-CD1 3.94Å; Y75-F146 HydrophobicContact CD1-CD1 3.94Å; Y75-F146 HydrophobicContact CD2-CB 3.74Å; Y75-F146 HydrophobicContact CD2-CD1 4.39Å; Y75-F146 WeakPolarHBondContact CD2-O 3.25Å; Y75-F146 HydrophobicContact CE1-CD1 4.38Å; Y75-F146 HydrophobicContact CE2-CB 4.23Å; Y75-F146 WeakPolarHBondContact CE2-O 3.1Å; Y75-F146 HydrophobicContact CG-CB 3.93Å; Y75-F146 AromaticContact CG-CD1 3.93Å; Y75-F146 HydrophobicContact CG-CD1 3.93Å; Y75-F146 HydrophobicContact CG-CG 4.42Å; Y75-N148 WeakPolarHBondContact CE2-O 3.37Å; Y75-N148 PolarHBondContact OH-O 3.17Å; Y75-W149 AromaticContact CD2-CD1 3.86Å; Y75-W149 AromaticContact CD2-NE1 3.83Å; Y75-W149 AromaticContact CE2-CD1 3.35Å; Y75-W149 AromaticContact CE2-NE1 3.81Å; Y75-W149 AromaticContact CZ-CD1 3.65Å; Y75-G211 WeakPolarHBondContact OH-CA 3.45Å; Y75-P212 HydrophobicContact CD1-CG 4.3Å; Y75-P212 HydrophobicContact CE1-CG 3.74Å; Y75-M245 HydrophobicContact CE1-CE 4.4Å; Y75-A253 HydrophobicContact CE1-CB 4.28Å; Y75-I254 HydrophobicContact CD1-CD1 4.34Å; Y75-I254 HydrophobicContact CD1-CG1 4.03Å; Y75-I254 HydrophobicContact CE1-CG1 4.47Å
76	N	98.3	Very high	97.9	Very high	6 Å²	6	20.5 Å²	20.5	3%	0.032	11%	0.111	C	C	.	.	S	Bend	trans	-149.1	163.4	173.8	70.2	81	0	0	0	109.5	F36 P69 N70 S73 D78 S79 F80	F36-N76 VanDerWaalsContact CD2-ND2 3.29Å; F36-N76 WeakPolarHBondContact CD2-ND2 3.47Å; F36-N76 WeakPolarHBondContact CE2-ND2 3.34Å; P69-N76 HydrophobicContact CB-CB 4.45Å; N70-N76 WeakPolarHBondContact O-CB 3.26Å; S73-N76 PolarHBondContact O-ND2 3.14Å; N76-D78 VanDerWaalsContact C-N 3.33Å; N76-D78 PolarHBondContact O-N 3.33Å; N76-D78 WeakPolarHBondContact OD1-CA 3.15Å; N76-D78 WeakPolarHBondContact OD1-CB 3.45Å; N76-D78 PolarHBondContact OD1-N 3.47Å; N76-S79 PolarHBondContact O-N 3.08Å; N76-S79 PolarHBondContact OD1-N 2.84Å; N76-F80 WeakPolarHBondContact O-CB 3.22Å; N76-F80 PolarHBondContact O-N 2.9Å
77	Y	98.5	Very high	97.9	Very high	32 Å²	32	20.7 Å²	20.7	13%	0.125	11%	0.11	C	C	.	.	H	α-helix	trans	-55.9	-43.9	-178.1	177.1	-101.7	0	0	0	113.4	F51 K53 F56 S79 F80 V81	F51-Y77 HydrophobicContact CD1-CE2 4.18Å; F51-Y77 HydrophobicContact CE1-CD2 4.4Å; F51-Y77 HydrophobicContact CE1-CE2 4.43Å; F51-Y77 WeakPolarHBondContact O-CE2 3.33Å; F51-Y77 PolarHBondContact O-OH 2.96Å; F51-Y77 VanDerWaalsContact O-OH 3.13Å; K53-Y77 HydrophobicContact CB-CD1 3.67Å; K53-Y77 HydrophobicContact CB-CD2 4.16Å; K53-Y77 HydrophobicContact CB-CE1 4.02Å; K53-Y77 HydrophobicContact CB-CE2 4.48Å; K53-Y77 HydrophobicContact CB-CG 3.72Å; K53-Y77 HydrophobicContact CD-CD1 4.17Å; K53-Y77 HydrophobicContact CG-CD1 4.03Å; K53-Y77 HydrophobicContact CG-CG 3.96Å; F56-Y77 HydrophobicContact CB-CD2 3.87Å; F56-Y77 HydrophobicContact CB-CG 4.49Å; F56-Y77 HydrophobicContact CG-CD2 4.39Å; Y77-S79 PolarHBondContact O-N 2.8Å; Y77-F80 WeakPolarHBondContact O-CB 3.4Å; Y77-F80 PolarHBondContact O-N 3.38Å; Y77-F80 VanDerWaalsContact O-N 3.11Å; Y77-V81 HydrophobicContact CD1-CG1 4.45Å; Y77-V81 HydrophobicContact CD2-CG1 3.97Å; Y77-V81 HydrophobicContact CE1-CG1 3.98Å; Y77-V81 HydrophobicContact CE1-CG2 4.2Å; Y77-V81 HydrophobicContact CE2-CG1 3.44Å; Y77-V81 VanDerWaalsContact CE2-CG1 3.44Å; Y77-V81 HydrophobicContact CG-CG1 4.46Å; Y77-V81 VanDerWaalsContact CZ-CG1 3.46Å; Y77-V81 WeakPolarHBondContact O-CG2 3.3Å; Y77-V81 PolarHBondContact O-N 3.19Å
78	D	98.2	Very high	97.9	Very high	64 Å²	64	20.1 Å²	20.1	34%	0.342	12%	0.118	S	C	.	.	H	α-helix	trans	-65.1	-43.4	-177	-57.2	-31.3	0	0	0	110.2	K53 N76 F80 I82	K53-D78 IonicContact NZ-OD2 2.84Å; N76-D78 VanDerWaalsContact C-N 3.33Å; N76-D78 PolarHBondContact O-N 3.33Å; N76-D78 WeakPolarHBondContact OD1-CA 3.15Å; N76-D78 WeakPolarHBondContact OD1-CB 3.45Å; N76-D78 PolarHBondContact OD1-N 3.47Å; D78-F80 VanDerWaalsContact C-N 3.3Å; D78-F80 PolarHBondContact O-N 3.04Å; D78-I82 WeakPolarHBondContact O-CB 3.45Å; D78-I82 WeakPolarHBondContact O-CD1 3.4Å; D78-I82 WeakPolarHBondContact O-CG1 2.9Å; D78-I82 PolarHBondContact O-N 3.17Å
79	S	98.4	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-41.2	172.6	-179	0	0	0	0	112.2	P74 N76 Y77 A83 P251	P74-S79 WeakPolarHBondContact O-CB 3.14Å; P74-S79 PolarHBondContact O-OG 3.1Å; P74-S79 VanDerWaalsContact O-OG 3.07Å; N76-S79 PolarHBondContact O-N 3.08Å; N76-S79 PolarHBondContact OD1-N 2.84Å; Y77-S79 PolarHBondContact O-N 2.8Å; S79-A83 WeakPolarHBondContact O-CB 3.17Å; S79-A83 PolarHBondContact O-N 3.16Å; S79-A83 VanDerWaalsContact O-N 3.09Å; S79-P251 WeakPolarHBondContact O-CG 3.48Å; S79-P251 WeakPolarHBondContact OG-CB 3.26Å
80	F	98.7	Very high	97.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.6	-50.7	-178.3	179	-96.3	0	0	0	111.9	L47 F51 F56 N76 Y77 D78 A83 A84 F90 L109 F112 F113 I254	L47-F80 HydrophobicContact CD2-CE1 3.64Å; L47-F80 HydrophobicContact CD2-CZ 4.1Å; F51-F80 HydrophobicContact CD1-CD1 4.08Å; F51-F80 AromaticContact CD1-CE1 3.67Å; F51-F80 HydrophobicContact CD1-CE1 3.67Å; F51-F80 AromaticContact CE1-CD1 3.7Å; F51-F80 HydrophobicContact CE1-CD1 3.7Å; F51-F80 AromaticContact CE1-CE1 3.48Å; F51-F80 HydrophobicContact CE1-CE1 3.48Å; F51-F80 VanDerWaalsContact CE1-CE1 3.48Å; F51-F80 HydrophobicContact CE1-CZ 4.34Å; F51-F80 HydrophobicContact CZ-CE1 4.5Å; F56-F80 HydrophobicContact CD2-CB 4.27Å; F56-F80 HydrophobicContact CD2-CD1 4.4Å; F56-F80 HydrophobicContact CD2-CG 4.2Å; F56-F80 HydrophobicContact CE2-CB 3.82Å; F56-F80 HydrophobicContact CE2-CD2 4.1Å; F56-F80 AromaticContact CE2-CG 3.9Å; F56-F80 HydrophobicContact CE2-CG 3.9Å; N76-F80 WeakPolarHBondContact O-CB 3.22Å; N76-F80 PolarHBondContact O-N 2.9Å; Y77-F80 WeakPolarHBondContact O-CB 3.4Å; Y77-F80 PolarHBondContact O-N 3.38Å; Y77-F80 VanDerWaalsContact O-N 3.11Å; D78-F80 VanDerWaalsContact C-N 3.3Å; D78-F80 PolarHBondContact O-N 3.04Å; F80-A83 PolarHBondContact O-N 3.48Å; F80-A84 PolarHBondContact O-N 2.7Å; F80-F90 HydrophobicContact CE2-CE1 4.37Å; F80-F90 AromaticContact CZ-CE1 3.9Å; F80-F90 HydrophobicContact CZ-CE1 3.9Å; F80-F90 HydrophobicContact CZ-CZ 4.41Å; F80-L109 HydrophobicContact CE1-CD1 4.36Å; F80-L109 HydrophobicContact CZ-CD1 3.62Å; F80-F112 HydrophobicContact CE2-CD1 4.37Å; F80-F112 AromaticContact CE2-CE1 3.95Å; F80-F112 HydrophobicContact CE2-CE1 3.95Å; F80-F113 AromaticContact CE2-CE1 3.78Å; F80-F113 HydrophobicContact CE2-CE1 3.78Å; F80-F113 HydrophobicContact CE2-CZ 4.24Å; F80-F113 AromaticContact CZ-CE1 3.96Å; F80-F113 HydrophobicContact CZ-CE1 3.96Å; F80-F113 HydrophobicContact CZ-CZ 4.01Å; F80-I254 HydrophobicContact CB-CD1 3.79Å; F80-I254 HydrophobicContact CD2-CD1 4.2Å; F80-I254 HydrophobicContact CD2-CG2 3.74Å; F80-I254 HydrophobicContact CE2-CG2 4.32Å
81	V	98.6	Very high	98	Very high	4 Å²	4	20 Å²	20	2%	0.024	11%	0.111	C	C	.	.	H	α-helix	trans	-70.9	-35.9	-178	-60.6	0	0	0	0	112.3	E48 Y77 A83 A84 R85	E48-V81 HydrophobicContact CG-CB 3.8Å; E48-V81 HydrophobicContact CG-CG1 3.92Å; E48-V81 HydrophobicContact CG-CG2 4.49Å; Y77-V81 HydrophobicContact CD1-CG1 4.45Å; Y77-V81 HydrophobicContact CD2-CG1 3.97Å; Y77-V81 HydrophobicContact CE1-CG1 3.98Å; Y77-V81 HydrophobicContact CE1-CG2 4.2Å; Y77-V81 HydrophobicContact CE2-CG1 3.44Å; Y77-V81 VanDerWaalsContact CE2-CG1 3.44Å; Y77-V81 HydrophobicContact CG-CG1 4.46Å; Y77-V81 VanDerWaalsContact CZ-CG1 3.46Å; Y77-V81 WeakPolarHBondContact O-CG2 3.3Å; Y77-V81 PolarHBondContact O-N 3.19Å; V81-A83 VanDerWaalsContact C-N 3.33Å; V81-A83 PolarHBondContact O-N 2.73Å; V81-A84 PolarHBondContact O-N 3.27Å; V81-R85 WeakPolarHBondContact O-CG 3.41Å; V81-R85 PolarHBondContact O-N 2.86Å; V81-R85 VanDerWaalsContact O-N 3.08Å
82	I	98.7	Very high	98.1	Very high	11 Å²	11	18.5 Å²	18.5	6%	0.056	10%	0.098	C	C	.	.	H	α-helix	trans	-60.5	-45.4	173.1	-69.2	164.8	0	0	0	110.2	F36 D38 D78 A84 R85 Y86 P250 P251	F36-I82 HydrophobicContact CB-CD1 4.22Å; D38-I82 HydrophobicContact CB-CG2 3.8Å; D78-I82 WeakPolarHBondContact O-CB 3.45Å; D78-I82 WeakPolarHBondContact O-CD1 3.4Å; D78-I82 WeakPolarHBondContact O-CG1 2.9Å; D78-I82 PolarHBondContact O-N 3.17Å; I82-A84 VanDerWaalsContact C-N 3.34Å; I82-A84 PolarHBondContact O-N 2.63Å; I82-R85 PolarHBondContact O-N 3.29Å; I82-Y86 WeakPolarHBondContact O-CD2 3.43Å; I82-P250 HydrophobicContact CG2-CB 4.2Å; I82-P251 HydrophobicContact CB-CG 3.85Å; I82-P251 VanDerWaalsContact CG2-CD 3.5Å; I82-P251 HydrophobicContact CG2-CG 3.66Å
83	A	98.7	Very high	98.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.3	-44.6	176.1	0	0	0	0	0	112	S79 F80 V81 R85 Y86 I254 M255 I258	S79-A83 WeakPolarHBondContact O-CB 3.17Å; S79-A83 PolarHBondContact O-N 3.16Å; S79-A83 VanDerWaalsContact O-N 3.09Å; F80-A83 PolarHBondContact O-N 3.48Å; V81-A83 VanDerWaalsContact C-N 3.33Å; V81-A83 PolarHBondContact O-N 2.73Å; A83-R85 VanDerWaalsContact C-N 3.3Å; A83-R85 PolarHBondContact O-N 2.82Å; A83-Y86 PolarHBondContact O-N 3.27Å; A83-I254 HydrophobicContact CB-CB 4.09Å; A83-I254 HydrophobicContact CB-CG2 3.95Å; A83-M255 HydrophobicContact CB-CB 3.79Å; A83-M255 HydrophobicContact CB-CE 4.49Å; A83-M255 HydrophobicContact CB-CG 4.44Å; A83-I258 HydrophobicContact CB-CD1 4.05Å
84	A	98.7	Very high	98.1	Very high	1 Å²	1	21 Å²	21	1%	0.008	11%	0.114	C	C	.	.	H	α-helix	trans	-63.8	-28.5	179.7	0	0	0	0	0	114	L47 F80 V81 I82 Y86 F87 F90 I258	L47-A84 HydrophobicContact CD2-CB 3.58Å; F80-A84 PolarHBondContact O-N 2.7Å; V81-A84 PolarHBondContact O-N 3.27Å; I82-A84 VanDerWaalsContact C-N 3.34Å; I82-A84 PolarHBondContact O-N 2.63Å; A84-Y86 PolarHBondContact O-N 3.02Å; A84-F87 CarbonylContact O-C 3.47Å; A84-F87 VanDerWaalsContact O-C 3.3Å; A84-F87 PolarHBondContact O-N 2.76Å; A84-F90 HydrophobicContact CB-CD1 4.03Å; A84-F90 HydrophobicContact CB-CE1 4.48Å; A84-I258 HydrophobicContact CB-CD1 4.28Å
85	R	98.5	Very high	98.1	Very high	47 Å²	47	22.1 Å²	22.1	18%	0.177	12%	0.12	C	C	.	.	H	α-helix	trans	-61.1	-24.2	176.4	-70.3	173.8	-171.4	167.6	5.7	113.8	R42 P43 E48 V81 I82 A83 F87	R42-R85 HydrophobicContact CB-CB 3.84Å; P43-R85 VanDerWaalsContact O-CG 3.31Å; P43-R85 WeakPolarHBondContact O-CG 3.41Å; E48-R85 WeakPolarHBondContact OE1-CG 3.03Å; E48-R85 IonicContact OE1-CZ 3.12Å; E48-R85 IonicContact OE1-NE 3.99Å; E48-R85 PolarHBondContact OE1-NE 3.11Å; E48-R85 IonicContact OE1-NH2 2.82Å; E48-R85 PolarHBondContact OE1-NH2 3.41Å; E48-R85 IonicContact OE2-CZ 3.92Å; E48-R85 IonicContact OE2-NE 3.34Å; E48-R85 IonicContact OE2-NH2 2.72Å; E48-R85 PolarHBondContact OE2-NH2 3.16Å; V81-R85 WeakPolarHBondContact O-CG 3.41Å; V81-R85 PolarHBondContact O-N 2.86Å; V81-R85 VanDerWaalsContact O-N 3.08Å; I82-R85 PolarHBondContact O-N 3.29Å; A83-R85 VanDerWaalsContact C-N 3.3Å; A83-R85 PolarHBondContact O-N 2.82Å; R85-F87 PolarHBondContact O-N 2.76Å
86	Y	98.4	Very high	98	Very high	11 Å²	11	30.1 Å²	30.1	4%	0.043	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-6.1	176	-71.4	-112.7	0	0	0	112.9	D38 N40 R42 I82 A83 A84 W227 N231 V233 P250 M255	D38-Y86 WeakPolarHBondContact OD1-CE2 3.49Å; D38-Y86 PolarHBondContact OD1-OH 3.18Å; N40-Y86 WeakPolarHBondContact CB-OH 3.37Å; N40-Y86 PolarHBondContact ND2-OH 3.08Å; R42-Y86 HydrophobicContact CB-CE2 4.44Å; R42-Y86 HydrophobicContact CG-CD1 4.4Å; R42-Y86 HydrophobicContact CG-CD2 3.94Å; R42-Y86 HydrophobicContact CG-CE1 4.12Å; R42-Y86 HydrophobicContact CG-CE2 3.61Å; R42-Y86 HydrophobicContact CG-CG 4.31Å; I82-Y86 WeakPolarHBondContact O-CD2 3.43Å; A83-Y86 PolarHBondContact O-N 3.27Å; A84-Y86 PolarHBondContact O-N 3.02Å; Y86-W227 HydrophobicContact CD1-CH2 4.25Å; Y86-W227 HydrophobicContact CG-CH2 4.43Å; Y86-N231 HydrophobicContact CD1-CB 4.23Å; Y86-N231 HydrophobicContact CE1-CB 4.49Å; Y86-V233 HydrophobicContact CE1-CG2 3.79Å; Y86-P250 HydrophobicContact CE2-CB 4.12Å; Y86-P250 HydrophobicContact CE2-CG 4.39Å; Y86-M255 HydrophobicContact CD1-CE 4.1Å; Y86-M255 HydrophobicContact CD1-SD 4.37Å; Y86-M255 HydrophobicContact CD2-CE 3.35Å; Y86-M255 HydrophobicContact CE1-CE 4.34Å; Y86-M255 HydrophobicContact CE2-CE 3.66Å; Y86-M255 HydrophobicContact CG-CE 3.61Å; Y86-M255 HydrophobicContact CG-SD 4.25Å
87	F	98.2	Very high	97.9	Very high	11 Å²	11	31.5 Å²	31.5	5%	0.048	17%	0.171	C	C	.	.			trans	-129.1	74.6	175.6	-58.5	-88.2	0	0	0	109.5	A84 R85 Q89 F90 W227 M255 I258 W259 M262	A84-F87 CarbonylContact O-C 3.47Å; A84-F87 VanDerWaalsContact O-C 3.3Å; A84-F87 PolarHBondContact O-N 2.76Å; R85-F87 PolarHBondContact O-N 2.76Å; F87-Q89 PolarHBondContact O-N 2.81Å; F87-F90 HydrophobicContact CB-CB 3.8Å; F87-F90 VanDerWaalsContact O-CB 3.29Å; F87-F90 WeakPolarHBondContact O-CB 3.44Å; F87-F90 PolarHBondContact O-N 2.9Å; F87-W227 HydrophobicContact CD1-CZ2 4.11Å; F87-W227 HydrophobicContact CD2-CH2 4.34Å; F87-W227 AromaticContact CE1-CE2 3.92Å; F87-W227 AromaticContact CE1-CH2 3.78Å; F87-W227 HydrophobicContact CE1-CH2 3.78Å; F87-W227 AromaticContact CE1-CZ2 3.37Å; F87-W227 HydrophobicContact CE1-CZ2 3.37Å; F87-W227 AromaticContact CE2-CH2 3.49Å; F87-W227 HydrophobicContact CE2-CH2 3.49Å; F87-W227 VanDerWaalsContact CE2-CH2 3.49Å; F87-W227 AromaticContact CE2-CZ2 3.96Å; F87-W227 HydrophobicContact CE2-CZ2 3.96Å; F87-W227 HydrophobicContact CE2-CZ3 4.24Å; F87-W227 AromaticContact CZ-CE2 3.97Å; F87-W227 HydrophobicContact CZ-CE3 4.45Å; F87-W227 AromaticContact CZ-CH2 3.13Å; F87-W227 HydrophobicContact CZ-CH2 3.13Å; F87-W227 AromaticContact CZ-CZ2 3.27Å; F87-W227 HydrophobicContact CZ-CZ2 3.27Å; F87-W227 AromaticContact CZ-CZ3 3.81Å; F87-W227 HydrophobicContact CZ-CZ3 3.81Å; F87-M255 HydrophobicContact CE2-CG 3.88Å; F87-I258 HydrophobicContact CB-CG2 3.94Å; F87-I258 HydrophobicContact CD1-CG2 4.19Å; F87-I258 HydrophobicContact CD2-CB 3.99Å; F87-I258 HydrophobicContact CD2-CG2 3.31Å; F87-I258 HydrophobicContact CE2-CB 4.02Å; F87-I258 HydrophobicContact CE2-CG2 3.78Å; F87-I258 HydrophobicContact CG-CG2 3.54Å; F87-I258 HydrophobicContact CZ-CG2 4.4Å; F87-W259 HydrophobicContact CE1-CB 4.29Å; F87-W259 VanDerWaalsContact CZ-CA 3.44Å; F87-W259 HydrophobicContact CZ-CB 3.68Å; F87-W259 HydrophobicContact CZ-CG 4.42Å; F87-M262 HydrophobicContact CB-CG 4.35Å; F87-M262 HydrophobicContact CD1-CB 3.81Å; F87-M262 HydrophobicContact CD1-CG 3.83Å; F87-M262 HydrophobicContact CE1-CB 4.11Å; F87-M262 HydrophobicContact CE1-CG 4.45Å; F87-M262 HydrophobicContact CG-CG 4.21Å
88	P	97.1	Very high	97.8	Very high	73 Å²	73	33.5 Å²	33.5	47%	0.474	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-22.4	-172.3	-27.2	36	0	0	0	115.2	T92	P88-T92 WeakPolarHBondContact O-CB 3.23Å; P88-T92 WeakPolarHBondContact O-CG2 3.39Å; P88-T92 PolarHBondContact O-OG1 3.34Å
89	Q	97.3	Very high	97.8	Very high	66 Å²	66	32.8 Å²	32.8	31%	0.308	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-24.9	176.9	-64.3	82.2	0.5	0	0	113.8	F87 A91 T92 E93 M262	F87-Q89 PolarHBondContact O-N 2.81Å; Q89-A91 PolarHBondContact O-N 2.89Å; Q89-A91 VanDerWaalsContact O-N 3.14Å; Q89-T92 VanDerWaalsContact CA-OG1 3.29Å; Q89-T92 WeakPolarHBondContact CA-OG1 3.24Å; Q89-T92 PolarHBondContact O-N 2.92Å; Q89-T92 VanDerWaalsContact O-N 3.15Å; Q89-T92 PolarHBondContact O-OG1 2.84Å; Q89-E93 HydrophobicContact CB-CG 3.78Å; Q89-E93 HydrophobicContact CG-CG 4.04Å; Q89-E93 WeakPolarHBondContact CG-OE1 3.35Å; Q89-E93 PolarHBondContact O-N 3.43Å; Q89-M262 HydrophobicContact CB-CE 4.04Å
90	F	98.6	Very high	97.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	116	-175.7	174.2	-116.7	0	0	0	110.5	L47 F80 A84 F87 T92 L109 F112 I258 Y261 M262	L47-F90 HydrophobicContact CD2-CD1 4.15Å; L47-F90 HydrophobicContact CD2-CE1 4.13Å; F80-F90 HydrophobicContact CE2-CE1 4.37Å; F80-F90 AromaticContact CZ-CE1 3.9Å; F80-F90 HydrophobicContact CZ-CE1 3.9Å; F80-F90 HydrophobicContact CZ-CZ 4.41Å; A84-F90 HydrophobicContact CB-CD1 4.03Å; A84-F90 HydrophobicContact CB-CE1 4.48Å; F87-F90 HydrophobicContact CB-CB 3.8Å; F87-F90 VanDerWaalsContact O-CB 3.29Å; F87-F90 WeakPolarHBondContact O-CB 3.44Å; F87-F90 PolarHBondContact O-N 2.9Å; F90-T92 WeakPolarHBondContact O-CG2 3.43Å; F90-T92 PolarHBondContact O-N 3.12Å; F90-L109 HydrophobicContact CE1-CD1 4.26Å; F90-L109 HydrophobicContact CZ-CD1 3.93Å; F90-F112 HydrophobicContact CE2-CB 3.9Å; F90-F112 HydrophobicContact CE2-CD2 4.38Å; F90-F112 HydrophobicContact CE2-CG 4.05Å; F90-F112 HydrophobicContact CZ-CB 3.96Å; F90-F112 AromaticContact CZ-CD1 3.9Å; F90-F112 HydrophobicContact CZ-CD1 3.9Å; F90-F112 HydrophobicContact CZ-CD2 4.34Å; F90-F112 AromaticContact CZ-CG 3.8Å; F90-F112 HydrophobicContact CZ-CG 3.8Å; F90-I258 HydrophobicContact CB-CG2 4.3Å; F90-I258 HydrophobicContact CD1-CD1 4.03Å; F90-I258 HydrophobicContact CD1-CG1 4.46Å; F90-I258 HydrophobicContact CD1-CG2 4.1Å; F90-I258 HydrophobicContact CD2-CG2 4.28Å; F90-I258 HydrophobicContact CE1-CD1 3.83Å; F90-I258 HydrophobicContact CE1-CG1 4.14Å; F90-I258 HydrophobicContact CG-CG2 3.95Å; F90-I258 HydrophobicContact CZ-CG1 4.38Å; F90-Y261 HydrophobicContact CD2-CD1 4.01Å; F90-Y261 AromaticContact CD2-CE1 3.99Å; F90-Y261 HydrophobicContact CD2-CE1 3.99Å; F90-Y261 AromaticContact CE2-CD1 3.89Å; F90-Y261 HydrophobicContact CE2-CD1 3.89Å; F90-Y261 AromaticContact CE2-CE1 3.84Å; F90-Y261 HydrophobicContact CE2-CE1 3.84Å; F90-M262 HydrophobicContact CB-CE 4.16Å; F90-M262 HydrophobicContact CB-CG 4.43Å; F90-M262 HydrophobicContact CB-SD 3.86Å; F90-M262 HydrophobicContact CD2-SD 3.78Å; F90-M262 HydrophobicContact CG-SD 4.25Å
91	A	98.4	Very high	97.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	39.6	-177	0	0	0	0	0	113.3	L47 W50 Q89 Y105 D108 L109	L47-A91 HydrophobicContact CD1-CB 3.75Å; W50-A91 HydrophobicContact CZ2-CB 4.27Å; W50-A91 PolarHBondContact NE1-O 3.17Å; Q89-A91 PolarHBondContact O-N 2.89Å; Q89-A91 VanDerWaalsContact O-N 3.14Å; A91-Y105 VanDerWaalsContact C-CB 3.49Å; A91-Y105 WeakPolarHBondContact CB-O 3.21Å; A91-Y105 WeakPolarHBondContact O-CB 3.15Å; A91-D108 WeakPolarHBondContact CA-OD2 3.09Å; A91-D108 HydrophobicContact CB-CB 4.46Å; A91-D108 PolarHBondContact N-OD2 2.99Å; A91-L109 HydrophobicContact CB-CB 3.97Å
92	T	98	Very high	97.8	Very high	17 Å²	17	42.7 Å²	42.7	10%	0.104	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.2	-23.4	173.9	73	0	0	0	0	114.7	S45 R46 L47 P88 Q89 F90	S45-T92 VanDerWaalsContact OG-CG2 3.25Å; S45-T92 WeakPolarHBondContact OG-CG2 3.4Å; R46-T92 HydrophobicContact CB-CG2 3.68Å; R46-T92 PolarHBondContact NH1-O 3.29Å; L47-T92 HydrophobicContact CB-CG2 4.45Å; P88-T92 WeakPolarHBondContact O-CB 3.23Å; P88-T92 WeakPolarHBondContact O-CG2 3.39Å; P88-T92 PolarHBondContact O-OG1 3.34Å; Q89-T92 VanDerWaalsContact CA-OG1 3.29Å; Q89-T92 WeakPolarHBondContact CA-OG1 3.24Å; Q89-T92 PolarHBondContact O-N 2.92Å; Q89-T92 VanDerWaalsContact O-N 3.15Å; Q89-T92 PolarHBondContact O-OG1 2.84Å; F90-T92 WeakPolarHBondContact O-CG2 3.43Å; F90-T92 PolarHBondContact O-N 3.12Å
93	E	96.8	Very high	97.8	Very high	47 Å²	47	44.7 Å²	44.7	22%	0.22	26%	0.262	C	S	.	.			trans	-69.8	152.8	-177.5	-73.3	-168.5	145.2	0	0	112.5	Q89 H272 M276 R396	Q89-E93 HydrophobicContact CB-CG 3.78Å; Q89-E93 HydrophobicContact CG-CG 4.04Å; Q89-E93 WeakPolarHBondContact CG-OE1 3.35Å; Q89-E93 PolarHBondContact O-N 3.43Å; E93-H272 IonicContact OE2-CE1 3.15Å; E93-H272 IonicContact OE2-NE2 3.8Å; E93-H272 PolarHBondContact OE2-NE2 3.35Å; E93-M276 HydrophobicContact CB-CE 4.45Å; E93-M276 HydrophobicContact CB-SD 4.02Å; E93-R396 IonicContact OE1-NH1 3.35Å; E93-R396 PolarHBondContact OE1-NH1 2.91Å; E93-R396 IonicContact OE2-NH1 3.06Å; E93-R396 PolarHBondContact OE2-NH1 3.36Å
94	A	96.5	Very high	97.8	Very high	47 Å²	47	44.7 Å²	44.7	39%	0.388	26%	0.262	S	S	.	.			trans	-146.6	61.3	-176.3	0	0	0	0	0	110.6	A101	A94-A101 HydrophobicContact CB-CB 3.53Å
95	P	96.3	Very high	97.8	Very high	27 Å²	27	45.9 Å²	45.9	18%	0.175	27%	0.266	C	S	.	.			trans	-63.3	154.1	176.2	29.6	-35.6	0	0	0	111.1	N97 N104 M276	P95-N97 PolarHBondContact O-N 2.97Å; P95-N97 VanDerWaalsContact O-N 3.09Å; P95-N97 PolarHBondContact O-OD1 2.81Å; P95-N104 PolarHBondContact O-ND2 2.64Å; P95-M276 HydrophobicContact CG-CB 4.2Å; P95-M276 WeakPolarHBondContact CG-O 3.19Å; P95-M276 HydrophobicContact CG-SD 4.01Å
96	N	96.8	Very high	97.8	Very high	169 Å²	169	44.9 Å²	44.9	90%	0.904	26%	0.263	S	S	*	.	S	Bend	trans	-79.9	90.4	173	-175.5	21.9	0	0	0	109.9
97	N	96.7	Very high	97.8	Very high	35 Å²	35	44.4 Å²	44.4	19%	0.187	26%	0.261	C	S	.	.	S	Bend	trans	-132.2	16.2	-170.9	65.2	0.9	0	0	0	113.4	P95 Y99 N104 M276 P293	P95-N97 PolarHBondContact O-N 2.97Å; P95-N97 VanDerWaalsContact O-N 3.09Å; P95-N97 PolarHBondContact O-OD1 2.81Å; N97-Y99 PolarHBondContact OD1-N 2.82Å; N97-Y99 VanDerWaalsContact OD1-N 3.12Å; N97-N104 PolarHBondContact ND2-OD1 3.22Å; N97-N104 PolarHBondContact OD1-ND2 2.9Å; N97-N104 VanDerWaalsContact OD1-ND2 3.07Å; N97-N104 PolarHBondContact OD1-OD1 3.29Å; N97-N104 VanDerWaalsContact OD1-OD1 3.13Å; N97-M276 PolarHBondContact ND2-O 3.16Å; N97-P293 HydrophobicContact CB-CG 3.99Å; N97-P293 WeakPolarHBondContact ND2-CB 3.49Å; N97-P293 WeakPolarHBondContact O-CG 2.89Å
98	G	96.5	Very high	97.8	Very high	73 Å²	73	43.9 Å²	43.9	75%	0.753	26%	0.259	S	S	*	.	S	Bend	trans	94.9	-10.2	-176.1	0	0	0	0	0	114.7
99	Y	98.3	Very high	97.9	Very high	50 Å²	50	40.4 Å²	40.4	20%	0.196	24%	0.237	C	C	.	.	S	Bend	trans	-101.8	152.2	170.7	-70.7	-56.9	0	0	0	111.9	N97 Q103 N104 R107 P293 P336 G338	N97-Y99 PolarHBondContact OD1-N 2.82Å; N97-Y99 VanDerWaalsContact OD1-N 3.12Å; Y99-Q103 HydrophobicContact CD1-CB 4.09Å; Y99-Q103 HydrophobicContact CG-CB 4.21Å; Y99-N104 PolarHBondContact O-ND2 3.36Å; Y99-R107 VanDerWaalsContact CE2-NE 3.29Å; Y99-P293 HydrophobicContact CD2-CB 3.85Å; Y99-P293 HydrophobicContact CD2-CG 3.56Å; Y99-P293 HydrophobicContact CE2-CB 3.8Å; Y99-P293 HydrophobicContact CE2-CG 3.48Å; Y99-P293 VanDerWaalsContact CE2-CG 3.48Å; Y99-P336 HydrophobicContact CD1-CG 3.93Å; Y99-P336 HydrophobicContact CE1-CB 4.35Å; Y99-P336 HydrophobicContact CE1-CG 3.47Å; Y99-P336 VanDerWaalsContact CE1-CG 3.47Å; Y99-G338 VanDerWaalsContact OH-CA 3.27Å; Y99-G338 WeakPolarHBondContact OH-CA 3.18Å
100	T	98.4	Very high	98	Very high	77 Å²	77	37.3 Å²	37.3	47%	0.472	22%	0.222	S	C	.	.			trans	-66.8	162.4	168.6	72.9	0	0	0	0	110.5	E102 Q103 N104	T100-E102 PolarHBondContact O-N 3.14Å; T100-Q103 PolarHBondContact O-N 3.35Å; T100-Q103 VanDerWaalsContact O-N 3.11Å; T100-Q103 VanDerWaalsContact OG1-CG 3.27Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.42Å; T100-Q103 PolarHBondContact OG1-N 3.36Å; T100-N104 PolarHBondContact O-N 2.87Å; T100-N104 PolarHBondContact O-ND2 3.05Å
101	A	98.2	Very high	98	Very high	45 Å²	45	37.3 Å²	37.3	37%	0.372	22%	0.222	S	C	.	.	H	α-helix	trans	-52.9	-45	175.4	0	0	0	0	0	112.2	A94 N104 Y105	A94-A101 HydrophobicContact CB-CB 3.53Å; A101-N104 PolarHBondContact O-N 2.88Å; A101-Y105 WeakPolarHBondContact O-CD1 3.05Å; A101-Y105 VanDerWaalsContact O-CE1 3.31Å; A101-Y105 WeakPolarHBondContact O-CE1 3.19Å; A101-Y105 PolarHBondContact O-N 3.35Å
102	E	98.3	Very high	98	Very high	90 Å²	90	37.3 Å²	37.3	42%	0.421	22%	0.222	S	C	.	.	H	α-helix	trans	-63.4	-40.2	177.6	178.3	173.1	-172.5	0	0	113.6	T100 Y105 K106	T100-E102 PolarHBondContact O-N 3.14Å; E102-Y105 VanDerWaalsContact CA-CZ 3.43Å; E102-Y105 HydrophobicContact CB-CE1 4.22Å; E102-Y105 HydrophobicContact CG-CE2 4.34Å; E102-K106 HydrophobicContact CG-CD 3.68Å; E102-K106 WeakPolarHBondContact O-CB 3.48Å; E102-K106 WeakPolarHBondContact O-CG 3.26Å; E102-K106 PolarHBondContact O-N 2.89Å; E102-K106 WeakPolarHBondContact OE1-CE 3.27Å; E102-K106 IonicContact OE1-NZ 3.24Å; E102-K106 PolarHBondContact OE1-NZ 3.24Å
103	Q	98.7	Very high	98.1	Very high	52 Å²	52	36.5 Å²	36.5	24%	0.243	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-43	176.9	-71.4	170.5	-20.8	0	0	111.3	Y99 T100 R107 V335 P336	Y99-Q103 HydrophobicContact CD1-CB 4.09Å; Y99-Q103 HydrophobicContact CG-CB 4.21Å; T100-Q103 PolarHBondContact O-N 3.35Å; T100-Q103 VanDerWaalsContact O-N 3.11Å; T100-Q103 VanDerWaalsContact OG1-CG 3.27Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.42Å; T100-Q103 PolarHBondContact OG1-N 3.36Å; Q103-R107 WeakPolarHBondContact O-CB 3.44Å; Q103-R107 WeakPolarHBondContact O-CD 3.2Å; Q103-R107 WeakPolarHBondContact O-CG 3.44Å; Q103-R107 PolarHBondContact O-N 2.86Å; Q103-V335 HydrophobicContact CB-CG1 4.45Å; Q103-V335 HydrophobicContact CG-CB 4.33Å; Q103-V335 HydrophobicContact CG-CG1 4.12Å; Q103-P336 HydrophobicContact CG-CG 4.48Å
104	N	98.7	Very high	98.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-59.2	-59.4	179.5	-82.6	-45.6	0	0	0	112.6	P95 N97 Y99 T100 A101 K106 R107 D108 M276	P95-N104 PolarHBondContact O-ND2 2.64Å; N97-N104 PolarHBondContact ND2-OD1 3.22Å; N97-N104 PolarHBondContact OD1-ND2 2.9Å; N97-N104 VanDerWaalsContact OD1-ND2 3.07Å; N97-N104 PolarHBondContact OD1-OD1 3.29Å; N97-N104 VanDerWaalsContact OD1-OD1 3.13Å; Y99-N104 PolarHBondContact O-ND2 3.36Å; T100-N104 PolarHBondContact O-N 2.87Å; T100-N104 PolarHBondContact O-ND2 3.05Å; A101-N104 PolarHBondContact O-N 2.88Å; N104-K106 VanDerWaalsContact C-N 3.32Å; N104-K106 PolarHBondContact O-N 3.26Å; N104-R107 PolarHBondContact O-N 3.49Å; N104-D108 PolarHBondContact O-N 2.91Å; N104-M276 HydrophobicContact CB-SD 4.43Å
105	Y	98.5	Very high	98.3	Very high	26 Å²	26	32 Å²	32	10%	0.102	19%	0.188	C	C	.	.	H	α-helix	trans	-69.7	-27.4	-173.4	63.3	-116.2	0	0	0	113.8	W50 A91 A101 E102 L109	W50-Y105 AromaticContact CD1-CE2 3.84Å; W50-Y105 HydrophobicContact CD2-CD2 4.13Å; W50-Y105 AromaticContact CD2-CE2 3.83Å; W50-Y105 HydrophobicContact CD2-CE2 3.83Å; W50-Y105 AromaticContact CE2-CD2 3.47Å; W50-Y105 VanDerWaalsContact CE2-CD2 3.47Å; W50-Y105 AromaticContact CE2-CE2 3.67Å; W50-Y105 HydrophobicContact CG-CD2 4.47Å; W50-Y105 AromaticContact CG-CE2 3.93Å; W50-Y105 HydrophobicContact CG-CE2 3.93Å; W50-Y105 HydrophobicContact CH2-CD2 4.44Å; W50-Y105 AromaticContact CZ2-CD2 3.65Å; W50-Y105 HydrophobicContact CZ2-CD2 3.65Å; W50-Y105 HydrophobicContact CZ2-CE2 4.19Å; W50-Y105 AromaticContact NE1-CD2 3.45Å; W50-Y105 AromaticContact NE1-CE2 3.65Å; A91-Y105 VanDerWaalsContact C-CB 3.49Å; A91-Y105 WeakPolarHBondContact CB-O 3.21Å; A91-Y105 WeakPolarHBondContact O-CB 3.15Å; A101-Y105 WeakPolarHBondContact O-CD1 3.05Å; A101-Y105 VanDerWaalsContact O-CE1 3.31Å; A101-Y105 WeakPolarHBondContact O-CE1 3.19Å; A101-Y105 PolarHBondContact O-N 3.35Å; E102-Y105 VanDerWaalsContact CA-CZ 3.43Å; E102-Y105 HydrophobicContact CB-CE1 4.22Å; E102-Y105 HydrophobicContact CG-CE2 4.34Å; Y105-L109 PolarHBondContact O-N 3.18Å
106	K	98.8	Very high	98.4	Very high	25 Å²	25	30.7 Å²	30.7	11%	0.109	18%	0.18	C	C	.	.	H	α-helix	trans	-77.1	-36.5	174.7	-77	172.8	166.3	-168	0	112.5	W50 E102 N104 D108 L109 A110 F333 V335	W50-K106 HydrophobicContact CE3-CG 4.25Å; W50-K106 HydrophobicContact CH2-CB 4.38Å; W50-K106 HydrophobicContact CH2-CG 3.7Å; W50-K106 HydrophobicContact CZ2-CG 4.23Å; W50-K106 HydrophobicContact CZ3-CG 3.74Å; E102-K106 HydrophobicContact CG-CD 3.68Å; E102-K106 WeakPolarHBondContact O-CB 3.48Å; E102-K106 WeakPolarHBondContact O-CG 3.26Å; E102-K106 PolarHBondContact O-N 2.89Å; E102-K106 WeakPolarHBondContact OE1-CE 3.27Å; E102-K106 IonicContact OE1-NZ 3.24Å; E102-K106 PolarHBondContact OE1-NZ 3.24Å; N104-K106 VanDerWaalsContact C-N 3.32Å; N104-K106 PolarHBondContact O-N 3.26Å; K106-D108 VanDerWaalsContact C-N 3.29Å; K106-L109 PolarHBondContact O-N 2.97Å; K106-A110 WeakPolarHBondContact O-CB 3.34Å; K106-A110 PolarHBondContact O-N 3.41Å; K106-F333 HydrophobicContact CB-CB 4.09Å; K106-F333 HydrophobicContact CB-CG 4.41Å; K106-F333 HydrophobicContact CD-CB 4.07Å; K106-F333 HydrophobicContact CG-CB 4.28Å; K106-F333 PolarHBondContact NZ-O 3.47Å; K106-F333 VanDerWaalsContact NZ-O 3.16Å; K106-V335 HydrophobicContact CB-CG1 3.81Å; K106-V335 HydrophobicContact CB-CG2 4.16Å; K106-V335 HydrophobicContact CD-CG1 3.75Å; K106-V335 HydrophobicContact CG-CG1 4.43Å
107	R	98.8	Very high	98.4	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-62.5	-39.4	172.8	-76.4	171.7	60.5	67.3	-5.4	111	Y99 Q103 N104 A110 A111 V275 P293 V335 P336 A337	Y99-R107 VanDerWaalsContact CE2-NE 3.29Å; Q103-R107 WeakPolarHBondContact O-CB 3.44Å; Q103-R107 WeakPolarHBondContact O-CD 3.2Å; Q103-R107 WeakPolarHBondContact O-CG 3.44Å; Q103-R107 PolarHBondContact O-N 2.86Å; N104-R107 PolarHBondContact O-N 3.49Å; R107-A110 WeakPolarHBondContact O-CB 3.42Å; R107-A110 PolarHBondContact O-N 3.24Å; R107-A111 PolarHBondContact O-N 3.46Å; R107-V275 HydrophobicContact CB-CG1 4.28Å; R107-P293 PolarHBondContact NH2-O 3.44Å; R107-P293 VanDerWaalsContact NH2-O 3.11Å; R107-V335 HydrophobicContact CG-CB 4.36Å; R107-V335 HydrophobicContact CG-CG2 3.87Å; R107-P336 WeakPolarHBondContact CD-O 3.29Å; R107-P336 PolarHBondContact NH1-O 3.49Å; R107-A337 PolarHBondContact NH1-O 3.02Å; R107-A337 PolarHBondContact NH2-O 3.29Å; R107-A337 VanDerWaalsContact NH2-O 3.11Å
108	D	98.8	Very high	98.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.7	-48.8	175.5	-160.6	28.5	0	0	0	112.3	A91 N104 K106 A110 A111 F112 Y261 H272 M276	A91-D108 WeakPolarHBondContact CA-OD2 3.09Å; A91-D108 HydrophobicContact CB-CB 4.46Å; A91-D108 PolarHBondContact N-OD2 2.99Å; N104-D108 PolarHBondContact O-N 2.91Å; K106-D108 VanDerWaalsContact C-N 3.29Å; D108-A110 VanDerWaalsContact C-N 3.34Å; D108-A110 PolarHBondContact O-N 2.94Å; D108-A111 PolarHBondContact O-N 3.09Å; D108-F112 PolarHBondContact O-N 2.69Å; D108-F112 VanDerWaalsContact O-N 3.14Å; D108-Y261 PolarHBondContact O-OH 3.44Å; D108-Y261 VanDerWaalsContact OD1-CE1 3.24Å; D108-Y261 WeakPolarHBondContact OD1-CE1 3.36Å; D108-Y261 PolarHBondContact OD1-OH 3.42Å; D108-H272 VanDerWaalsContact CG-ND1 3.32Å; D108-H272 IonicContact OD1-CG 3.58Å; D108-H272 IonicContact OD1-ND1 3.2Å; D108-H272 PolarHBondContact OD1-ND1 3.15Å; D108-H272 VanDerWaalsContact OD1-ND1 3.15Å; D108-H272 IonicContact OD2-CE1 4Å; D108-H272 PolarHBondContact OD2-CE1 2.97Å; D108-H272 IonicContact OD2-ND1 3.94Å; D108-H272 PolarHBondContact OD2-ND1 2.88Å; D108-M276 HydrophobicContact CB-CE 3.35Å; D108-M276 WeakPolarHBondContact OD2-CE 3.33Å
109	L	98.9	Very high	98.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.9	-40.8	176.4	-172	62.2	0	0	0	111.9	L47 W50 F51 F80 F90 A91 Y105 K106 A111 F112 F113 F333	L47-L109 HydrophobicContact CD1-CD2 4.16Å; W50-L109 HydrophobicContact CH2-CB 3.96Å; W50-L109 HydrophobicContact CH2-CD2 3.3Å; W50-L109 HydrophobicContact CH2-CG 4.25Å; W50-L109 HydrophobicContact CZ2-CB 4.3Å; W50-L109 HydrophobicContact CZ2-CD2 3.93Å; W50-L109 HydrophobicContact CZ3-CD2 4.02Å; F51-L109 HydrophobicContact CB-CD2 4.36Å; F51-L109 HydrophobicContact CD1-CD2 4.35Å; F51-L109 HydrophobicContact CD2-CD2 3.5Å; F51-L109 VanDerWaalsContact CD2-CD2 3.5Å; F51-L109 HydrophobicContact CE2-CD2 3.79Å; F51-L109 HydrophobicContact CG-CD2 3.81Å; F51-L109 HydrophobicContact CZ-CD2 4.33Å; F80-L109 HydrophobicContact CE1-CD1 4.36Å; F80-L109 HydrophobicContact CZ-CD1 3.62Å; F90-L109 HydrophobicContact CE1-CD1 4.26Å; F90-L109 HydrophobicContact CZ-CD1 3.93Å; A91-L109 HydrophobicContact CB-CB 3.97Å; Y105-L109 PolarHBondContact O-N 3.18Å; K106-L109 PolarHBondContact O-N 2.97Å; L109-A111 VanDerWaalsContact C-N 3.32Å; L109-A111 PolarHBondContact O-N 3.37Å; L109-F112 PolarHBondContact O-N 2.82Å; L109-F113 HydrophobicContact CD1-CD1 4.39Å; L109-F113 HydrophobicContact CD1-CD2 4.31Å; L109-F113 HydrophobicContact CD1-CE1 3.83Å; L109-F113 HydrophobicContact CD1-CE2 3.76Å; L109-F113 HydrophobicContact CD1-CZ 3.48Å; L109-F113 VanDerWaalsContact CD1-CZ 3.48Å; L109-F113 HydrophobicContact CD2-CD2 4.45Å; L109-F113 HydrophobicContact CD2-CE2 3.64Å; L109-F113 HydrophobicContact CD2-CZ 3.96Å; L109-F113 HydrophobicContact CG-CD2 3.89Å; L109-F113 HydrophobicContact CG-CE1 4.43Å; L109-F113 HydrophobicContact CG-CE2 3.46Å; L109-F113 VanDerWaalsContact CG-CE2 3.46Å; L109-F113 HydrophobicContact CG-CZ 3.76Å; L109-F113 WeakPolarHBondContact O-CG 3.39Å; L109-F113 PolarHBondContact O-N 2.88Å; L109-F333 HydrophobicContact CB-CE2 4.48Å; L109-F333 HydrophobicContact CD2-CE2 4.35Å; L109-F333 HydrophobicContact CD2-CZ 3.86Å; L109-F333 HydrophobicContact CG-CE2 4.38Å; L109-F333 HydrophobicContact CG-CZ 4.31Å
110	A	98.9	Very high	98.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.4	-41.9	176.2	0	0	0	0	0	112.2	K106 R107 D108 F113 A114 F326 F329 F333	K106-A110 WeakPolarHBondContact O-CB 3.34Å; K106-A110 PolarHBondContact O-N 3.41Å; R107-A110 WeakPolarHBondContact O-CB 3.42Å; R107-A110 PolarHBondContact O-N 3.24Å; D108-A110 VanDerWaalsContact C-N 3.34Å; D108-A110 PolarHBondContact O-N 2.94Å; A110-F113 PolarHBondContact O-N 3.46Å; A110-A114 WeakPolarHBondContact O-CB 3.5Å; A110-A114 PolarHBondContact O-N 2.75Å; A110-F326 HydrophobicContact CB-CD2 3.94Å; A110-F326 HydrophobicContact CB-CE2 3.9Å; A110-F329 HydrophobicContact CB-CB 3.58Å; A110-F333 HydrophobicContact CB-CD2 4.05Å; A110-F333 HydrophobicContact CB-CE2 4.17Å
111	A	98.9	Very high	98.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.1	-46.9	178.7	0	0	0	0	0	111.5	R107 D108 L109 F113 A114 H115 Y261 V275 F295 F326	R107-A111 PolarHBondContact O-N 3.46Å; D108-A111 PolarHBondContact O-N 3.09Å; L109-A111 VanDerWaalsContact C-N 3.32Å; L109-A111 PolarHBondContact O-N 3.37Å; A111-F113 VanDerWaalsContact C-N 3.33Å; A111-F113 PolarHBondContact O-N 3.36Å; A111-A114 WeakPolarHBondContact O-CB 3.43Å; A111-A114 PolarHBondContact O-N 2.93Å; A111-H115 PolarHBondContact O-CD2 3.16Å; A111-H115 PolarHBondContact O-N 3.31Å; A111-H115 VanDerWaalsContact O-N 3.15Å; A111-Y261 HydrophobicContact CB-CE2 4.36Å; A111-V275 HydrophobicContact CB-CG2 3.74Å; A111-F295 HydrophobicContact CB-CD2 3.92Å; A111-F295 HydrophobicContact CB-CE2 3.86Å; A111-F326 HydrophobicContact CB-CD2 4.1Å; A111-F326 HydrophobicContact CB-CE2 3.88Å
112	F	98.9	Very high	98.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-57.2	-45.8	174.8	177.2	-101.3	0	0	0	112.1	F80 F90 D108 L109 H115 A116 F146 P212 I213 I258 Y261	F80-F112 HydrophobicContact CE2-CD1 4.37Å; F80-F112 AromaticContact CE2-CE1 3.95Å; F80-F112 HydrophobicContact CE2-CE1 3.95Å; F90-F112 HydrophobicContact CE2-CB 3.9Å; F90-F112 HydrophobicContact CE2-CD2 4.38Å; F90-F112 HydrophobicContact CE2-CG 4.05Å; F90-F112 HydrophobicContact CZ-CB 3.96Å; F90-F112 AromaticContact CZ-CD1 3.9Å; F90-F112 HydrophobicContact CZ-CD1 3.9Å; F90-F112 HydrophobicContact CZ-CD2 4.34Å; F90-F112 AromaticContact CZ-CG 3.8Å; F90-F112 HydrophobicContact CZ-CG 3.8Å; D108-F112 PolarHBondContact O-N 2.69Å; D108-F112 VanDerWaalsContact O-N 3.14Å; L109-F112 PolarHBondContact O-N 2.82Å; F112-H115 PolarHBondContact O-N 2.98Å; F112-A116 PolarHBondContact O-N 3.17Å; F112-F146 HydrophobicContact CE1-CE1 4.48Å; F112-F146 AromaticContact CE1-CZ 3.93Å; F112-F146 HydrophobicContact CE1-CZ 3.93Å; F112-P212 HydrophobicContact CZ-CB 4.4Å; F112-I213 HydrophobicContact CE2-CD1 4.49Å; F112-I213 HydrophobicContact CE2-CG2 4.27Å; F112-I258 HydrophobicContact CE2-CG1 4.05Å; F112-I258 HydrophobicContact CZ-CG1 3.94Å; F112-Y261 HydrophobicContact CB-CD2 4.38Å; F112-Y261 HydrophobicContact CB-CE1 4.5Å; F112-Y261 HydrophobicContact CB-CE2 4.26Å; F112-Y261 HydrophobicContact CD2-CD1 4.38Å; F112-Y261 HydrophobicContact CD2-CD2 4.14Å; F112-Y261 AromaticContact CD2-CG 3.92Å; F112-Y261 HydrophobicContact CD2-CG 3.92Å
113	F	98.9	Very high	98.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67.3	-35.1	178	-68.2	-23	0	0	0	113.4	F51 L59 F60 F80 L109 A110 A111 H115 A116 V117 F146 F329 F333	F51-F113 HydrophobicContact CE1-CZ 4.19Å; F51-F113 AromaticContact CE2-CE2 3.93Å; F51-F113 HydrophobicContact CE2-CE2 3.93Å; F51-F113 HydrophobicContact CE2-CZ 4.12Å; F51-F113 AromaticContact CZ-CE2 3.88Å; F51-F113 HydrophobicContact CZ-CE2 3.88Å; F51-F113 AromaticContact CZ-CZ 3.61Å; F51-F113 HydrophobicContact CZ-CZ 3.61Å; L59-F113 HydrophobicContact CD1-CD2 4.36Å; L59-F113 HydrophobicContact CD1-CE2 3.97Å; F60-F113 HydrophobicContact CE2-CD1 4.13Å; F60-F113 HydrophobicContact CE2-CD2 4.23Å; F60-F113 AromaticContact CE2-CE1 3.74Å; F60-F113 HydrophobicContact CE2-CE1 3.74Å; F60-F113 AromaticContact CE2-CE2 3.83Å; F60-F113 HydrophobicContact CE2-CE2 3.83Å; F60-F113 HydrophobicContact CE2-CG 4.38Å; F60-F113 AromaticContact CE2-CZ 3.58Å; F60-F113 HydrophobicContact CE2-CZ 3.58Å; F60-F113 HydrophobicContact CZ-CB 4.22Å; F60-F113 AromaticContact CZ-CD1 3.62Å; F60-F113 HydrophobicContact CZ-CD1 3.62Å; F60-F113 AromaticContact CZ-CD2 3.66Å; F60-F113 HydrophobicContact CZ-CD2 3.66Å; F60-F113 AromaticContact CZ-CE1 3.74Å; F60-F113 HydrophobicContact CZ-CE1 3.74Å; F60-F113 AromaticContact CZ-CE2 3.75Å; F60-F113 HydrophobicContact CZ-CE2 3.75Å; F60-F113 AromaticContact CZ-CG 3.6Å; F60-F113 HydrophobicContact CZ-CG 3.6Å; F60-F113 AromaticContact CZ-CZ 3.8Å; F60-F113 HydrophobicContact CZ-CZ 3.8Å; F80-F113 AromaticContact CE2-CE1 3.78Å; F80-F113 HydrophobicContact CE2-CE1 3.78Å; F80-F113 HydrophobicContact CE2-CZ 4.24Å; F80-F113 AromaticContact CZ-CE1 3.96Å; F80-F113 HydrophobicContact CZ-CE1 3.96Å; F80-F113 HydrophobicContact CZ-CZ 4.01Å; L109-F113 HydrophobicContact CD1-CD1 4.39Å; L109-F113 HydrophobicContact CD1-CD2 4.31Å; L109-F113 HydrophobicContact CD1-CE1 3.83Å; L109-F113 HydrophobicContact CD1-CE2 3.76Å; L109-F113 HydrophobicContact CD1-CZ 3.48Å; L109-F113 VanDerWaalsContact CD1-CZ 3.48Å; L109-F113 HydrophobicContact CD2-CD2 4.45Å; L109-F113 HydrophobicContact CD2-CE2 3.64Å; L109-F113 HydrophobicContact CD2-CZ 3.96Å; L109-F113 HydrophobicContact CG-CD2 3.89Å; L109-F113 HydrophobicContact CG-CE1 4.43Å; L109-F113 HydrophobicContact CG-CE2 3.46Å; L109-F113 VanDerWaalsContact CG-CE2 3.46Å; L109-F113 HydrophobicContact CG-CZ 3.76Å; L109-F113 WeakPolarHBondContact O-CG 3.39Å; L109-F113 PolarHBondContact O-N 2.88Å; A110-F113 PolarHBondContact O-N 3.46Å; A111-F113 VanDerWaalsContact C-N 3.33Å; A111-F113 PolarHBondContact O-N 3.36Å; F113-H115 VanDerWaalsContact C-N 3.32Å; F113-H115 PolarHBondContact O-N 3.21Å; F113-A116 PolarHBondContact O-N 3.24Å; F113-A116 VanDerWaalsContact O-N 3.16Å; F113-V117 WeakPolarHBondContact O-CG2 2.98Å; F113-V117 PolarHBondContact O-N 2.84Å; F113-F146 AromaticContact CD1-CE2 3.68Å; F113-F146 HydrophobicContact CD1-CE2 3.68Å; F113-F146 AromaticContact CD1-CZ 3.9Å; F113-F146 HydrophobicContact CD1-CZ 3.9Å; F113-F146 AromaticContact CE1-CE2 3.78Å; F113-F146 HydrophobicContact CE1-CE2 3.78Å; F113-F146 AromaticContact CE1-CZ 3.79Å; F113-F146 HydrophobicContact CE1-CZ 3.79Å; F113-F329 HydrophobicContact CB-CD1 4.09Å; F113-F329 HydrophobicContact CB-CD2 3.76Å; F113-F329 HydrophobicContact CB-CE1 3.84Å; F113-F329 HydrophobicContact CB-CE2 3.53Å; F113-F329 HydrophobicContact CB-CG 4.08Å; F113-F329 HydrophobicContact CB-CZ 3.6Å; F113-F329 HydrophobicContact CD2-CD1 4.04Å; F113-F329 AromaticContact CD2-CE1 3.97Å; F113-F329 HydrophobicContact CD2-CE1 3.97Å; F113-F329 HydrophobicContact CG-CE1 4.29Å; F113-F329 HydrophobicContact CG-CZ 4.42Å; F113-F333 HydrophobicContact CD2-CE2 4.31Å; F113-F333 HydrophobicContact CD2-CZ 4.16Å; F113-F333 HydrophobicContact CE2-CZ 4.03Å
114	A	98.7	Very high	98.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.1	-43.1	175	0	0	0	0	0	112	A110 A111 Q118 F295 A325 F326 F329	A110-A114 WeakPolarHBondContact O-CB 3.5Å; A110-A114 PolarHBondContact O-N 2.75Å; A111-A114 WeakPolarHBondContact O-CB 3.43Å; A111-A114 PolarHBondContact O-N 2.93Å; A114-Q118 PolarHBondContact O-N 3.2Å; A114-F295 HydrophobicContact CB-CE2 4.32Å; A114-F295 HydrophobicContact CB-CZ 4.07Å; A114-A325 HydrophobicContact CB-CB 3.91Å; A114-F326 HydrophobicContact CB-CB 3.75Å; A114-F329 HydrophobicContact CB-CD2 4.48Å
115	H	98.6	Very high	97.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.9	-46.3	171.8	-67.3	-63.1	0	0	0	111.3	A111 F112 F113 V117 Q118 E119 I213 F295 T298 I302 R322	A111-H115 PolarHBondContact O-CD2 3.16Å; A111-H115 PolarHBondContact O-N 3.31Å; A111-H115 VanDerWaalsContact O-N 3.15Å; F112-H115 PolarHBondContact O-N 2.98Å; F113-H115 VanDerWaalsContact C-N 3.32Å; F113-H115 PolarHBondContact O-N 3.21Å; H115-V117 VanDerWaalsContact C-N 3.33Å; H115-V117 PolarHBondContact O-N 3.1Å; H115-Q118 PolarHBondContact O-N 3.08Å; H115-Q118 VanDerWaalsContact O-N 3.14Å; H115-E119 WeakPolarHBondContact O-CB 3.13Å; H115-E119 VanDerWaalsContact O-CG 3.24Å; H115-E119 WeakPolarHBondContact O-CG 3.32Å; H115-E119 PolarHBondContact O-N 3.04Å; H115-I213 HydrophobicContact CB-CG2 3.88Å; H115-F295 AromaticContact NE2-CE2 3.83Å; H115-T298 PolarHBondContact CE1-OG1 3.15Å; H115-T298 VanDerWaalsContact NE2-CB 3.34Å; H115-T298 WeakPolarHBondContact NE2-CB 3.28Å; H115-T298 PolarHBondContact NE2-OG1 2.72Å; H115-I302 HydrophobicContact CB-CD1 3.81Å; H115-R322 WeakPolarHBondContact ND1-CD 3.47Å; H115-R322 PolarHBondContact ND1-NE 2.86Å
116	A	98.5	Very high	97.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.5	-38	-179.8	0	0	0	0	0	113.6	F112 F113 S120 G121 F146 P212	F112-A116 PolarHBondContact O-N 3.17Å; F113-A116 PolarHBondContact O-N 3.24Å; F113-A116 VanDerWaalsContact O-N 3.16Å; A116-S120 CarbonylContact O-C 2.94Å; A116-S120 PolarHBondContact O-N 2.94Å; A116-S120 PolarHBondContact O-OG 2.86Å; A116-G121 PolarHBondContact O-N 3.01Å; A116-F146 HydrophobicContact CB-CD2 4.43Å; A116-F146 HydrophobicContact CB-CE2 4.05Å; A116-F146 HydrophobicContact CB-CZ 4.18Å; A116-P212 WeakPolarHBondContact CA-O 3.49Å; A116-P212 HydrophobicContact CB-CB 4Å
117	V	98.1	Very high	97.5	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.006	8%	0.083	C	C	.	.	H	α-helix	trans	-61.6	-44.8	175	169.5	0	0	0	0	111.1	F113 H115 G121 N123 F141 Y142 A325 F329	F113-V117 WeakPolarHBondContact O-CG2 2.98Å; F113-V117 PolarHBondContact O-N 2.84Å; H115-V117 VanDerWaalsContact C-N 3.33Å; H115-V117 PolarHBondContact O-N 3.1Å; V117-G121 WeakPolarHBondContact O-CA 3.33Å; V117-G121 PolarHBondContact O-N 3.38Å; V117-N123 PolarHBondContact O-ND2 2.86Å; V117-N123 VanDerWaalsContact O-ND2 3.17Å; V117-F141 HydrophobicContact CG1-CE1 4.37Å; V117-Y142 HydrophobicContact CG1-CD1 4.18Å; V117-A325 HydrophobicContact CB-CB 4.27Å; V117-A325 HydrophobicContact CG1-CB 4.37Å; V117-F329 HydrophobicContact CG2-CE2 3.66Å; V117-F329 HydrophobicContact CG2-CZ 3.75Å
118	Q	97.5	Very high	97.3	Very high	23 Å²	23	16.2 Å²	16.2	11%	0.107	9%	0.092	C	C	.	.	H	α-helix	trans	-74.1	-42.3	-177.9	174.4	44.3	35.2	0	0	112.5	A114 H115 N123 G318 R321 R322	A114-Q118 PolarHBondContact O-N 3.2Å; H115-Q118 PolarHBondContact O-N 3.08Å; H115-Q118 VanDerWaalsContact O-N 3.14Å; Q118-N123 PolarHBondContact OE1-OD1 3.22Å; Q118-G318 VanDerWaalsContact CD-N 3.34Å; Q118-R321 HydrophobicContact CB-CB 4.45Å; Q118-R321 HydrophobicContact CG-CB 4.4Å; Q118-R321 VanDerWaalsContact OE1-CB 3.23Å; Q118-R322 HydrophobicContact CB-CG 3.72Å; Q118-R322 HydrophobicContact CG-CG 4Å
119	E	97.7	Very high	96.8	Very high	48 Å²	48	20.9 Å²	20.9	22%	0.224	12%	0.124	C	C	.	.	H	α-helix	trans	-75	-38.5	-175.2	-67.5	-65	171.1	0	0	113.4	H115 P212 I213 Q214 I302 R322	H115-E119 WeakPolarHBondContact O-CB 3.13Å; H115-E119 VanDerWaalsContact O-CG 3.24Å; H115-E119 WeakPolarHBondContact O-CG 3.32Å; H115-E119 PolarHBondContact O-N 3.04Å; E119-P212 WeakPolarHBondContact CB-O 3.19Å; E119-I213 HydrophobicContact CG-CB 4.28Å; E119-Q214 HydrophobicContact CB-CG 4Å; E119-I302 HydrophobicContact CG-CD1 3.7Å; E119-I302 WeakPolarHBondContact OE1-CD1 3.35Å; E119-I302 VanDerWaalsContact OE1-CG1 3.3Å; E119-I302 WeakPolarHBondContact OE1-CG1 3.44Å; E119-R322 IonicContact OE1-CZ 3.95Å; E119-R322 IonicContact OE1-NE 2.92Å; E119-R322 IonicContact OE1-NH2 2.64Å; E119-R322 PolarHBondContact OE1-NH2 3.48Å
120	S	97.6	Very high	95.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-135.1	10.5	-172.2	66.3	0	0	0	0	113.7	A116 Y147 N148 P212	A116-S120 CarbonylContact O-C 2.94Å; A116-S120 PolarHBondContact O-N 2.94Å; A116-S120 PolarHBondContact O-OG 2.86Å; S120-Y147 CarbonylContact O-C 3.58Å; S120-Y147 WeakPolarHBondContact O-CA 3.34Å; S120-Y147 WeakPolarHBondContact O-CB 3.1Å; S120-Y147 PolarHBondContact O-N 2.86Å; S120-N148 WeakPolarHBondContact CB-O 3.33Å; S120-N148 PolarHBondContact O-N 3.32Å; S120-P212 WeakPolarHBondContact CB-O 3.35Å; S120-P212 WeakPolarHBondContact OG-CA 3.39Å; S120-P212 PolarHBondContact OG-O 2.93Å
121	G	97.7	Very high	95.3	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.01	19%	0.188	C	C	.	.	S	Bend	trans	-75.4	166.4	178.1	0	0	0	0	0	114	A116 V117 N123 G144 N148	A116-G121 PolarHBondContact O-N 3.01Å; V117-G121 WeakPolarHBondContact O-CA 3.33Å; V117-G121 PolarHBondContact O-N 3.38Å; G121-N123 PolarHBondContact O-N 3.2Å; G121-N123 PolarHBondContact O-ND2 2.86Å; G121-G144 CarbonylContact C-O 3.34Å; G121-G144 WeakPolarHBondContact CA-O 3.38Å; G121-N148 PolarHBondContact O-ND2 3.4Å; G121-N148 VanDerWaalsContact O-ND2 3.08Å
122	E	97.3	Very high	94.9	Very high	35 Å²	35	35.6 Å²	35.6	16%	0.164	20%	0.2	C	C	.	.			trans	-58.5	-35.2	173.9	-171.4	-177.4	-136.9	0	0	111.2	K62 D124 G144 Y147	K62-E122 WeakPolarHBondContact CD-OE2 3.09Å; K62-E122 WeakPolarHBondContact CE-OE2 3.41Å; K62-E122 IonicContact NZ-OE2 2.76Å; K62-E122 PolarHBondContact NZ-OE2 3.09Å; E122-D124 HydrophobicContact CG-CB 4.08Å; E122-D124 PolarHBondContact O-N 3.05Å; E122-G144 PolarHBondContact N-O 3.2Å; E122-Y147 HydrophobicContact CB-CD1 4.4Å; E122-Y147 HydrophobicContact CB-CD2 3.68Å; E122-Y147 HydrophobicContact CB-CE2 4.11Å; E122-Y147 HydrophobicContact CB-CG 3.86Å; E122-Y147 HydrophobicContact CG-CD2 4.02Å; E122-Y147 HydrophobicContact CG-CE2 3.9Å; E122-Y147 HydrophobicContact CG-CG 4.44Å; E122-Y147 VanDerWaalsContact N-CB 3.33Å
123	N	95.2	Very high	94.6	Very high	36 Å²	36	38.3 Å²	38.3	19%	0.193	22%	0.219	C	C	.	.			trans	53.2	36.8	178.2	-77.6	-79.5	0	0	0	113.4	V117 Q118 G121 A125 F141 R321	V117-N123 PolarHBondContact O-ND2 2.86Å; V117-N123 VanDerWaalsContact O-ND2 3.17Å; Q118-N123 PolarHBondContact OE1-OD1 3.22Å; G121-N123 PolarHBondContact O-N 3.2Å; G121-N123 PolarHBondContact O-ND2 2.86Å; N123-A125 PolarHBondContact O-N 3.01Å; N123-F141 HydrophobicContact CB-CZ 4.45Å; N123-R321 PolarHBondContact OD1-NH1 3.04Å
124	D	95.2	Very high	94.4	Very high	44 Å²	44	43.2 Å²	43.2	24%	0.235	24%	0.24	C	C	.	.			trans	-71.4	86.2	-178.3	-177.7	11.5	0	0	0	112	E122 S126 L127 F141	E122-D124 HydrophobicContact CG-CB 4.08Å; E122-D124 PolarHBondContact O-N 3.05Å; D124-S126 VanDerWaalsContact CG-OG 3.31Å; D124-S126 PolarHBondContact O-N 3.34Å; D124-S126 WeakPolarHBondContact OD1-CB 3.49Å; D124-S126 PolarHBondContact OD1-N 2.8Å; D124-S126 PolarHBondContact OD1-OG 3.42Å; D124-S126 PolarHBondContact OD2-OG 2.95Å; D124-L127 HydrophobicContact CB-CD1 4.12Å; D124-L127 HydrophobicContact CB-CG 4.2Å; D124-L127 WeakPolarHBondContact O-CB 3.38Å; D124-L127 WeakPolarHBondContact O-CD1 3.23Å; D124-L127 WeakPolarHBondContact O-CG 3.19Å; D124-L127 PolarHBondContact O-N 3.13Å; D124-F141 WeakPolarHBondContact O-CD2 3.11Å
125	A	94.2	Very high	94.1	Very high	46 Å²	46	47.7 Å²	47.7	38%	0.38	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-63.5	-17.8	176.9	0	0	0	0	0	113.1	N123 L127 Y128 P314	N123-A125 PolarHBondContact O-N 3.01Å; A125-L127 PolarHBondContact O-N 2.96Å; A125-Y128 PolarHBondContact O-N 2.84Å; A125-P314 HydrophobicContact CB-CG 3.96Å
126	S	94.2	Very high	93.9	Very high	59 Å²	59	52 Å²	52	41%	0.413	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-63.8	-23.2	179.4	80.9	0	0	0	0	112.2	D124 Y128 S129	D124-S126 VanDerWaalsContact CG-OG 3.31Å; D124-S126 PolarHBondContact O-N 3.34Å; D124-S126 WeakPolarHBondContact OD1-CB 3.49Å; D124-S126 PolarHBondContact OD1-N 2.8Å; D124-S126 PolarHBondContact OD1-OG 3.42Å; D124-S126 PolarHBondContact OD2-OG 2.95Å; S126-Y128 PolarHBondContact O-N 3Å; S126-Y128 VanDerWaalsContact O-N 3.11Å; S126-S129 WeakPolarHBondContact CA-OG 3.45Å; S126-S129 PolarHBondContact O-N 3.27Å; S126-S129 PolarHBondContact O-OG 2.95Å
127	L	94.8	Very high	93.8	Very high	1 Å²	1	52 Å²	52	1%	0.005	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-53.5	-33.1	176.3	-66.5	171.5	0	0	0	112.9	P20 D124 A125 T130 A137 C140 F141	P20-L127 HydrophobicContact CG-CD2 3.86Å; D124-L127 HydrophobicContact CB-CD1 4.12Å; D124-L127 HydrophobicContact CB-CG 4.2Å; D124-L127 WeakPolarHBondContact O-CB 3.38Å; D124-L127 WeakPolarHBondContact O-CD1 3.23Å; D124-L127 WeakPolarHBondContact O-CG 3.19Å; D124-L127 PolarHBondContact O-N 3.13Å; A125-L127 PolarHBondContact O-N 2.96Å; L127-T130 PolarHBondContact O-OG1 2.95Å; L127-A137 HydrophobicContact CB-CB 4.38Å; L127-C140 HydrophobicContact CD1-CB 3.85Å; L127-C140 HydrophobicContact CD2-CB 4.05Å; L127-F141 HydrophobicContact CD1-CB 3.9Å; L127-F141 HydrophobicContact CD1-CD2 4.32Å
128	Y	94.5	Very high	93.8	Very high	47 Å²	47	52.7 Å²	52.7	18%	0.184	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-87.8	-8.8	179.7	-62.6	-90.2	0	0	0	114	A125 S126 A137 D138 F141 D313 P314	A125-Y128 PolarHBondContact O-N 2.84Å; S126-Y128 PolarHBondContact O-N 3Å; S126-Y128 VanDerWaalsContact O-N 3.11Å; Y128-A137 HydrophobicContact CD1-CB 3.51Å; Y128-A137 HydrophobicContact CD2-CB 4.33Å; Y128-A137 HydrophobicContact CE1-CB 3.52Å; Y128-A137 HydrophobicContact CE2-CB 4.35Å; Y128-A137 HydrophobicContact CG-CB 3.95Å; Y128-D138 VanDerWaalsContact CE1-OD1 3.31Å; Y128-D138 WeakPolarHBondContact CE1-OD1 3.41Å; Y128-D138 PolarHBondContact OH-OD1 2.93Å; Y128-F141 HydrophobicContact CE2-CB 3.91Å; Y128-F141 AromaticContact CE2-CD2 3.72Å; Y128-F141 HydrophobicContact CE2-CD2 3.72Å; Y128-F141 HydrophobicContact CE2-CE2 4.44Å; Y128-F141 AromaticContact CE2-CG 3.87Å; Y128-F141 HydrophobicContact CE2-CG 3.87Å; Y128-D313 HydrophobicContact CD1-CB 3.47Å; Y128-D313 VanDerWaalsContact CD1-CB 3.47Å; Y128-D313 HydrophobicContact CE1-CB 3.41Å; Y128-D313 VanDerWaalsContact CE1-CB 3.41Å; Y128-D313 HydrophobicContact CG-CB 4.19Å; Y128-P314 HydrophobicContact CD2-CB 4.14Å; Y128-P314 VanDerWaalsContact CD2-CD 3.46Å; Y128-P314 HydrophobicContact CD2-CG 4.04Å; Y128-P314 HydrophobicContact CE2-CB 3.6Å; Y128-P314 HydrophobicContact CE2-CG 3.98Å
129	S	89.2	Confident	93.7	Very high	98 Å²	98	53.5 Å²	53.5	69%	0.685	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-94.4	-2.3	176.3	68.3	0	0	0	0	113.7	S126	S126-S129 WeakPolarHBondContact CA-OG 3.45Å; S126-S129 PolarHBondContact O-N 3.27Å; S126-S129 PolarHBondContact O-OG 2.95Å
130	T	80.3	Confident	93.6	Very high	61 Å²	61	51.2 Å²	51.2	37%	0.374	28%	0.281	S	S	.	.	S	Bend	trans	-91	174	179.4	64.2	0	0	0	0	111.9	L127 R132	L127-T130 PolarHBondContact O-OG1 2.95Å; T130-R132 PolarHBondContact O-N 3.41Å; T130-R132 WeakPolarHBondContact OG1-CD 3.37Å; T130-R132 VanDerWaalsContact OG1-CG 3.28Å; T130-R132 WeakPolarHBondContact OG1-CG 3.34Å
131	N	86.1	Confident	93.6	Very high	180 Å²	180	51.4 Å²	51.4	96%	0.963	28%	0.282	S	S	*	.	S	Bend	trans	-69	27.7	174.2	-74.2	-3.6	0	0	0	114.1
132	R	90.2	Very high	93.6	Very high	67 Å²	67	51.4 Å²	51.4	25%	0.253	28%	0.282	S	S	.	.			trans	-91.5	146.8	179.8	-70.7	-179	-175.8	-70.9	4.8	110.5	N18 T130 E136	N18-R132 PolarHBondContact O-NH1 3.35Å; N18-R132 PolarHBondContact O-NH2 2.91Å; T130-R132 PolarHBondContact O-N 3.41Å; T130-R132 WeakPolarHBondContact OG1-CD 3.37Å; T130-R132 VanDerWaalsContact OG1-CG 3.28Å; T130-R132 WeakPolarHBondContact OG1-CG 3.34Å; R132-E136 HydrophobicContact CB-CB 4.15Å; R132-E136 HydrophobicContact CG-CB 4.47Å
133	S	93.2	Very high	93.6	Very high	57 Å²	57	50.1 Å²	50.1	40%	0.399	28%	0.275	S	S	.	.			trans	-64.7	157.3	162.5	62.5	0	0	0	0	110.4	D135 E136 A137	S133-D135 PolarHBondContact O-N 2.93Å; S133-E136 WeakPolarHBondContact CB-OE2 2.93Å; S133-E136 PolarHBondContact N-OE2 2.9Å; S133-E136 PolarHBondContact O-N 3.43Å; S133-E136 VanDerWaalsContact O-N 3.17Å; S133-E136 VanDerWaalsContact OG-CG 3.24Å; S133-E136 WeakPolarHBondContact OG-CG 3.37Å; S133-E136 PolarHBondContact OG-N 3.25Å; S133-E136 PolarHBondContact OG-OE2 3.33Å; S133-A137 PolarHBondContact O-N 3.39Å
134	K	93.5	Very high	93.7	Very high	103 Å²	103	48.4 Å²	48.4	45%	0.448	27%	0.267	S	S	.	.	H	α-helix	trans	-53	-44.8	174.4	179.7	-172.7	173.4	-62.1	0	111.6	E136 A137 D138 D313	K134-E136 PolarHBondContact O-N 2.61Å; K134-A137 PolarHBondContact O-N 2.88Å; K134-D138 IonicContact NZ-OD1 3.6Å; K134-D138 IonicContact NZ-OD2 2.77Å; K134-D138 PolarHBondContact NZ-OD2 2.78Å; K134-D138 WeakPolarHBondContact O-CB 3.47Å; K134-D138 VanDerWaalsContact O-CG 3.31Å; K134-D138 PolarHBondContact O-N 3.03Å; K134-D313 VanDerWaalsContact CD-OD2 3.23Å; K134-D313 WeakPolarHBondContact CD-OD2 3.46Å; K134-D313 VanDerWaalsContact CE-CG 3.5Å; K134-D313 WeakPolarHBondContact CE-OD2 3.35Å
135	D	93.5	Very high	93.8	Very high	94 Å²	94	46.3 Å²	46.3	50%	0.503	26%	0.255	S	S	.	.	H	α-helix	trans	-61.8	-43.5	-180	-76	-7	0	0	0	111.4	S133 A137 D138 E139	S133-D135 PolarHBondContact O-N 2.93Å; D135-A137 VanDerWaalsContact C-N 3.34Å; D135-A137 PolarHBondContact O-N 2.77Å; D135-D138 PolarHBondContact O-N 3.16Å; D135-E139 VanDerWaalsContact O-CG 3.27Å; D135-E139 WeakPolarHBondContact O-CG 3.19Å; D135-E139 PolarHBondContact O-N 2.97Å
136	E	94.3	Very high	93.9	Very high	91 Å²	91	44.1 Å²	44.1	43%	0.425	24%	0.237	S	C	.	.	H	α-helix	trans	-65	-36.9	175.4	-71.2	167.5	126	0	0	112.8	R132 S133 K134 C140	R132-E136 HydrophobicContact CB-CB 4.15Å; R132-E136 HydrophobicContact CG-CB 4.47Å; S133-E136 WeakPolarHBondContact CB-OE2 2.93Å; S133-E136 PolarHBondContact N-OE2 2.9Å; S133-E136 PolarHBondContact O-N 3.43Å; S133-E136 VanDerWaalsContact O-N 3.17Å; S133-E136 VanDerWaalsContact OG-CG 3.24Å; S133-E136 WeakPolarHBondContact OG-CG 3.37Å; S133-E136 PolarHBondContact OG-N 3.25Å; S133-E136 PolarHBondContact OG-OE2 3.33Å; K134-E136 PolarHBondContact O-N 2.61Å; E136-C140 PolarHBondContact O-N 2.98Å; E136-C140 PolarHBondContact O-SG 3.37Å; E136-C140 VanDerWaalsContact O-SG 3.37Å
137	A	96.1	Very high	94.1	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-66.9	-45.1	175.9	0	0	0	0	0	111.3	L127 Y128 S133 K134 D135 E139 C140 F141	L127-A137 HydrophobicContact CB-CB 4.38Å; Y128-A137 HydrophobicContact CD1-CB 3.51Å; Y128-A137 HydrophobicContact CD2-CB 4.33Å; Y128-A137 HydrophobicContact CE1-CB 3.52Å; Y128-A137 HydrophobicContact CE2-CB 4.35Å; Y128-A137 HydrophobicContact CG-CB 3.95Å; S133-A137 PolarHBondContact O-N 3.39Å; K134-A137 PolarHBondContact O-N 2.88Å; D135-A137 VanDerWaalsContact C-N 3.34Å; D135-A137 PolarHBondContact O-N 2.77Å; A137-E139 PolarHBondContact O-N 2.6Å; A137-C140 PolarHBondContact O-N 3.2Å; A137-C140 VanDerWaalsContact O-N 3.11Å; A137-F141 WeakPolarHBondContact O-CB 3.36Å; A137-F141 PolarHBondContact O-N 2.88Å
138	D	96.8	Very high	94.3	Very high	14 Å²	14	42.5 Å²	42.5	8%	0.075	22%	0.224	C	C	.	.	H	α-helix	trans	-57.3	-48.6	175.4	-75	-14.1	0	0	0	111.4	Y128 K134 D135 C140 F141 Y142	Y128-D138 VanDerWaalsContact CE1-OD1 3.31Å; Y128-D138 WeakPolarHBondContact CE1-OD1 3.41Å; Y128-D138 PolarHBondContact OH-OD1 2.93Å; K134-D138 IonicContact NZ-OD1 3.6Å; K134-D138 IonicContact NZ-OD2 2.77Å; K134-D138 PolarHBondContact NZ-OD2 2.78Å; K134-D138 WeakPolarHBondContact O-CB 3.47Å; K134-D138 VanDerWaalsContact O-CG 3.31Å; K134-D138 PolarHBondContact O-N 3.03Å; D135-D138 PolarHBondContact O-N 3.16Å; D138-C140 PolarHBondContact O-N 3.45Å; D138-C140 VanDerWaalsContact O-N 3.1Å; D138-F141 PolarHBondContact O-N 3.15Å; D138-Y142 HydrophobicContact CB-CD2 3.97Å; D138-Y142 HydrophobicContact CB-CE2 3.75Å; D138-Y142 WeakPolarHBondContact O-CD2 3.37Å; D138-Y142 PolarHBondContact O-N 3.42Å
139	E	96.1	Very high	94.5	Very high	41 Å²	41	40.9 Å²	40.9	19%	0.192	22%	0.217	C	C	.	.	H	α-helix	trans	-57.1	-28.7	178.3	-71.5	-60.2	127.3	0	0	112.7	V17 D135 A137 R143 W328	V17-E139 HydrophobicContact CG1-CB 3.62Å; V17-E139 HydrophobicContact CG2-CB 4.3Å; D135-E139 VanDerWaalsContact O-CG 3.27Å; D135-E139 WeakPolarHBondContact O-CG 3.19Å; D135-E139 PolarHBondContact O-N 2.97Å; A137-E139 PolarHBondContact O-N 2.6Å; E139-R143 WeakPolarHBondContact O-CD 3.15Å; E139-R143 WeakPolarHBondContact O-CG 3.43Å; E139-R143 PolarHBondContact O-NH1 2.9Å; E139-R143 IonicContact OE2-CZ 2.77Å; E139-R143 IonicContact OE2-NH1 2.63Å; E139-R143 PolarHBondContact OE2-NH1 3.39Å; E139-R143 IonicContact OE2-NH2 3.49Å; E139-W328 PolarHBondContact OE1-NE1 3.42Å
140	C	95.9	Very high	94.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-92.2	-32.6	178.1	-65.3	0	0	0	0	114.4	C19 K62 L127 E136 A137 D138	C19-C140 WeakPolarHBondContact CA-SG 3.4Å; C19-C140 HydrophobicContact CB-CB 3.84Å; C19-C140 WeakPolarHBondContact CB-SG 3.28Å; C19-C140 WeakPolarHBondContact SG-CA 3.29Å; C19-C140 WeakPolarHBondContact SG-CB 3.48Å; C19-C140 CovalentContact SG-SG 2.04Å; C19-C140 PolarHBondContact SG-SG 3.31Å; K62-C140 PolarHBondContact NZ-O 3.44Å; L127-C140 HydrophobicContact CD1-CB 3.85Å; L127-C140 HydrophobicContact CD2-CB 4.05Å; E136-C140 PolarHBondContact O-N 2.98Å; E136-C140 PolarHBondContact O-SG 3.37Å; E136-C140 VanDerWaalsContact O-SG 3.37Å; A137-C140 PolarHBondContact O-N 3.2Å; A137-C140 VanDerWaalsContact O-N 3.11Å; D138-C140 PolarHBondContact O-N 3.45Å; D138-C140 VanDerWaalsContact O-N 3.1Å
141	F	97.2	Very high	95.8	Very high	3 Å²	3	36 Å²	36	1%	0.013	18%	0.179	C	C	.	.	H	α-helix	trans	-72.5	-50.1	-177.9	-175.9	-86.4	0	0	0	110.6	V117 N123 D124 L127 Y128 A137 D138 R143 G144 P314	V117-F141 HydrophobicContact CG1-CE1 4.37Å; N123-F141 HydrophobicContact CB-CZ 4.45Å; D124-F141 WeakPolarHBondContact O-CD2 3.11Å; L127-F141 HydrophobicContact CD1-CB 3.9Å; L127-F141 HydrophobicContact CD1-CD2 4.32Å; Y128-F141 HydrophobicContact CE2-CB 3.91Å; Y128-F141 AromaticContact CE2-CD2 3.72Å; Y128-F141 HydrophobicContact CE2-CD2 3.72Å; Y128-F141 HydrophobicContact CE2-CE2 4.44Å; Y128-F141 AromaticContact CE2-CG 3.87Å; Y128-F141 HydrophobicContact CE2-CG 3.87Å; A137-F141 WeakPolarHBondContact O-CB 3.36Å; A137-F141 PolarHBondContact O-N 2.88Å; D138-F141 PolarHBondContact O-N 3.15Å; F141-R143 PolarHBondContact O-N 3.22Å; F141-G144 WeakPolarHBondContact O-CA 3.42Å; F141-G144 PolarHBondContact O-N 2.87Å; F141-P314 HydrophobicContact CD2-CB 4.2Å; F141-P314 HydrophobicContact CD2-CG 4.43Å; F141-P314 HydrophobicContact CE1-CB 4.11Å; F141-P314 HydrophobicContact CE2-CB 3.74Å; F141-P314 HydrophobicContact CE2-CG 3.79Å; F141-P314 HydrophobicContact CZ-CB 3.7Å; F141-P314 HydrophobicContact CZ-CG 4.08Å
142	Y	97.7	Very high	96.3	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.008	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-73.9	-16.1	-176.9	-59.7	-61.1	0	0	0	113.4	V117 D138 G144 K324 A325 W328	V117-Y142 HydrophobicContact CG1-CD1 4.18Å; D138-Y142 HydrophobicContact CB-CD2 3.97Å; D138-Y142 HydrophobicContact CB-CE2 3.75Å; D138-Y142 WeakPolarHBondContact O-CD2 3.37Å; D138-Y142 PolarHBondContact O-N 3.42Å; Y142-G144 PolarHBondContact O-N 2.95Å; Y142-K324 HydrophobicContact CE1-CB 4.21Å; Y142-K324 WeakPolarHBondContact OH-CB 3.36Å; Y142-A325 VanDerWaalsContact CD1-CA 3.48Å; Y142-A325 HydrophobicContact CD1-CB 3.56Å; Y142-A325 VanDerWaalsContact CE1-CA 3.47Å; Y142-A325 HydrophobicContact CE1-CB 3.73Å; Y142-W328 VanDerWaalsContact CB-CD2 3.48Å; Y142-W328 HydrophobicContact CD2-CB 3.52Å; Y142-W328 AromaticContact CD2-CD1 3.58Å; Y142-W328 AromaticContact CD2-CD2 3.82Å; Y142-W328 HydrophobicContact CD2-CD2 3.82Å; Y142-W328 HydrophobicContact CD2-CE3 4.49Å; Y142-W328 AromaticContact CD2-CG 3.32Å; Y142-W328 HydrophobicContact CD2-CG 3.32Å; Y142-W328 HydrophobicContact CE2-CB 3.98Å; Y142-W328 HydrophobicContact CE2-CG 4.13Å; Y142-W328 HydrophobicContact CG-CB 3.92Å; Y142-W328 AromaticContact CG-CD2 3.94Å; Y142-W328 HydrophobicContact CG-CD2 3.94Å; Y142-W328 HydrophobicContact CG-CE3 4.15Å; Y142-W328 AromaticContact CG-CG 3.82Å; Y142-W328 HydrophobicContact CG-CG 3.82Å
143	R	97.2	Very high	96.3	Very high	7 Å²	7	27.5 Å²	27.5	3%	0.026	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-76	1.9	165.5	-76.5	-172.5	176	81	1.6	114.8	D58 L59 P61 E139 F141 W328	D58-R143 WeakPolarHBondContact O-CD 3.49Å; D58-R143 PolarHBondContact O-NE 3.22Å; D58-R143 IonicContact OD1-NE 3.54Å; D58-R143 IonicContact OD1-NH2 2.92Å; D58-R143 IonicContact OD2-CZ 3.55Å; D58-R143 IonicContact OD2-NE 2.64Å; D58-R143 PolarHBondContact OD2-NE 3.34Å; D58-R143 IonicContact OD2-NH2 3.52Å; D58-R143 PolarHBondContact OD2-NH2 3.41Å; L59-R143 VanDerWaalsContact O-CA 3.22Å; L59-R143 WeakPolarHBondContact O-CA 3.35Å; P61-R143 HydrophobicContact CG-CB 4.07Å; E139-R143 WeakPolarHBondContact O-CD 3.15Å; E139-R143 WeakPolarHBondContact O-CG 3.43Å; E139-R143 PolarHBondContact O-NH1 2.9Å; E139-R143 IonicContact OE2-CZ 2.77Å; E139-R143 IonicContact OE2-NH1 2.63Å; E139-R143 PolarHBondContact OE2-NH1 3.39Å; E139-R143 IonicContact OE2-NH2 3.49Å; F141-R143 PolarHBondContact O-N 3.22Å; R143-W328 HydrophobicContact CG-CH2 3.96Å; R143-W328 HydrophobicContact CG-CZ2 4.49Å
144	G	96.7	Very high	96.5	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.01	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-87	4.3	176.2	0	0	0	0	0	114.6	G121 E122 F141 Y142 Y147	G121-G144 CarbonylContact C-O 3.34Å; G121-G144 WeakPolarHBondContact CA-O 3.38Å; E122-G144 PolarHBondContact N-O 3.2Å; F141-G144 WeakPolarHBondContact O-CA 3.42Å; F141-G144 PolarHBondContact O-N 2.87Å; Y142-G144 PolarHBondContact O-N 2.95Å; G144-Y147 WeakPolarHBondContact O-CB 3.3Å
145	G	97.4	Very high	96.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.148	C	C	.	.			trans	-64.7	164	178.2	0	0	0	0	0	114	Y147	G145-Y147 PolarHBondContact O-N 3.49Å
146	F	98.2	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	54.9	35.6	-178.1	-63.4	-96.2	0	0	0	113.2	F60 A63 N64 Y75 F112 F113 A116 P212 I254	F60-F146 HydrophobicContact CB-CD2 4.44Å; F60-F146 AromaticContact CD1-CD2 3.44Å; F60-F146 HydrophobicContact CD1-CD2 3.44Å; F60-F146 VanDerWaalsContact CD1-CD2 3.44Å; F60-F146 AromaticContact CD1-CE2 3.99Å; F60-F146 HydrophobicContact CD1-CE2 3.99Å; F60-F146 AromaticContact CD2-CD2 3.89Å; F60-F146 HydrophobicContact CD2-CD2 3.89Å; F60-F146 AromaticContact CD2-CE2 3.99Å; F60-F146 HydrophobicContact CD2-CE2 3.99Å; F60-F146 AromaticContact CE1-CD2 3.54Å; F60-F146 HydrophobicContact CE1-CD2 3.54Å; F60-F146 AromaticContact CE1-CE2 3.63Å; F60-F146 HydrophobicContact CE1-CE2 3.63Å; F60-F146 AromaticContact CE2-CD2 3.98Å; F60-F146 HydrophobicContact CE2-CD2 3.98Å; F60-F146 AromaticContact CE2-CE2 3.63Å; F60-F146 HydrophobicContact CE2-CE2 3.63Å; F60-F146 AromaticContact CG-CD2 3.63Å; F60-F146 HydrophobicContact CG-CD2 3.63Å; F60-F146 HydrophobicContact CG-CE2 4.16Å; F60-F146 HydrophobicContact CG-CG 4.5Å; F60-F146 AromaticContact CZ-CD2 3.82Å; F60-F146 HydrophobicContact CZ-CD2 3.82Å; F60-F146 AromaticContact CZ-CE2 3.45Å; F60-F146 HydrophobicContact CZ-CE2 3.45Å; F60-F146 VanDerWaalsContact CZ-CE2 3.45Å; A63-F146 CarbonylContact C-O 3.56Å; A63-F146 WeakPolarHBondContact CA-O 3.29Å; A63-F146 HydrophobicContact CB-CB 4.03Å; A63-F146 WeakPolarHBondContact CB-O 3.48Å; N64-F146 PolarHBondContact N-O 2.92Å; Y75-F146 AromaticContact CD1-CD1 3.94Å; Y75-F146 HydrophobicContact CD1-CD1 3.94Å; Y75-F146 HydrophobicContact CD2-CB 3.74Å; Y75-F146 HydrophobicContact CD2-CD1 4.39Å; Y75-F146 WeakPolarHBondContact CD2-O 3.25Å; Y75-F146 HydrophobicContact CE1-CD1 4.38Å; Y75-F146 HydrophobicContact CE2-CB 4.23Å; Y75-F146 WeakPolarHBondContact CE2-O 3.1Å; Y75-F146 HydrophobicContact CG-CB 3.93Å; Y75-F146 AromaticContact CG-CD1 3.93Å; Y75-F146 HydrophobicContact CG-CD1 3.93Å; Y75-F146 HydrophobicContact CG-CG 4.42Å; F112-F146 HydrophobicContact CE1-CE1 4.48Å; F112-F146 AromaticContact CE1-CZ 3.93Å; F112-F146 HydrophobicContact CE1-CZ 3.93Å; F113-F146 AromaticContact CD1-CE2 3.68Å; F113-F146 HydrophobicContact CD1-CE2 3.68Å; F113-F146 AromaticContact CD1-CZ 3.9Å; F113-F146 HydrophobicContact CD1-CZ 3.9Å; F113-F146 AromaticContact CE1-CE2 3.78Å; F113-F146 HydrophobicContact CE1-CE2 3.78Å; F113-F146 AromaticContact CE1-CZ 3.79Å; F113-F146 HydrophobicContact CE1-CZ 3.79Å; A116-F146 HydrophobicContact CB-CD2 4.43Å; A116-F146 HydrophobicContact CB-CE2 4.05Å; A116-F146 HydrophobicContact CB-CZ 4.18Å; F146-P212 HydrophobicContact CD1-CB 3.92Å; F146-P212 HydrophobicContact CD1-CG 3.57Å; F146-P212 HydrophobicContact CE1-CB 3.63Å; F146-P212 HydrophobicContact CE1-CG 3.36Å; F146-P212 HydrophobicContact CZ-CB 4.35Å; F146-P212 HydrophobicContact CZ-CG 4.45Å; F146-I254 HydrophobicContact CE1-CD1 4.45Å; F146-I254 HydrophobicContact CE1-CG1 4.37Å
147	Y	98.4	Very high	97	Very high	6 Å²	6	23.7 Å²	23.7	2%	0.024	14%	0.139	C	C	.	.			trans	-85.6	-57.4	-175.7	-172.4	-86.3	0	0	0	111.1	A22 V23 Y25 K62 L65 S120 E122 G144 G145 P154	A22-Y147 HydrophobicContact CB-CE2 4.33Å; V23-Y147 PolarHBondContact O-OH 3.25Å; Y25-Y147 HydrophobicContact CD2-CE1 4.42Å; Y25-Y147 VanDerWaalsContact CD2-OH 3.28Å; Y25-Y147 WeakPolarHBondContact CD2-OH 3.24Å; Y25-Y147 HydrophobicContact CE2-CE1 4.42Å; Y25-Y147 WeakPolarHBondContact CE2-OH 3.09Å; K62-Y147 HydrophobicContact CB-CD2 4.06Å; K62-Y147 HydrophobicContact CB-CE2 4.46Å; K62-Y147 WeakPolarHBondContact O-CD2 3.43Å; L65-Y147 HydrophobicContact CD2-CD1 4.38Å; L65-Y147 HydrophobicContact CD2-CE1 4.29Å; L65-Y147 PolarHBondContact N-O 3.17Å; S120-Y147 CarbonylContact O-C 3.58Å; S120-Y147 WeakPolarHBondContact O-CA 3.34Å; S120-Y147 WeakPolarHBondContact O-CB 3.1Å; S120-Y147 PolarHBondContact O-N 2.86Å; E122-Y147 HydrophobicContact CB-CD1 4.4Å; E122-Y147 HydrophobicContact CB-CD2 3.68Å; E122-Y147 HydrophobicContact CB-CE2 4.11Å; E122-Y147 HydrophobicContact CB-CG 3.86Å; E122-Y147 HydrophobicContact CG-CD2 4.02Å; E122-Y147 HydrophobicContact CG-CE2 3.9Å; E122-Y147 HydrophobicContact CG-CG 4.44Å; E122-Y147 VanDerWaalsContact N-CB 3.33Å; G144-Y147 WeakPolarHBondContact O-CB 3.3Å; G145-Y147 PolarHBondContact O-N 3.49Å; Y147-P154 HydrophobicContact CE1-CB 4.31Å
148	N	98.3	Very high	97.1	Very high	20 Å²	20	24.3 Å²	24.3	11%	0.107	14%	0.141	C	C	.	.			trans	-87.2	143	-175.9	-64.5	-61.1	0	0	0	112.2	Y75 S120 G121 G153 P154	Y75-N148 WeakPolarHBondContact CE2-O 3.37Å; Y75-N148 PolarHBondContact OH-O 3.17Å; S120-N148 WeakPolarHBondContact CB-O 3.33Å; S120-N148 PolarHBondContact O-N 3.32Å; G121-N148 PolarHBondContact O-ND2 3.4Å; G121-N148 VanDerWaalsContact O-ND2 3.08Å; N148-G153 VanDerWaalsContact OD1-CA 3.27Å; N148-G153 WeakPolarHBondContact OD1-CA 3.47Å; N148-P154 WeakPolarHBondContact OD1-CA 3.2Å
149	W	98.2	Very high	97.2	Very high	13 Å²	13	24.2 Å²	24.2	5%	0.049	14%	0.141	C	C	.	.	S	Bend	trans	-91.4	-36.5	172.7	-63.9	-34.7	0	0	0	112.9	N64 L65 Y75 H166 H167 P168 R210 G211 M245	N64-W149 HydrophobicContact CB-CZ2 3.92Å; N64-W149 PolarHBondContact OD1-NE1 2.91Å; L65-W149 HydrophobicContact CD1-CD2 4.46Å; L65-W149 HydrophobicContact CD1-CE3 3.86Å; L65-W149 HydrophobicContact CD1-CH2 4.01Å; L65-W149 HydrophobicContact CD1-CZ3 3.58Å; L65-W149 HydrophobicContact CG-CE3 4.39Å; L65-W149 HydrophobicContact CG-CH2 4.49Å; L65-W149 HydrophobicContact CG-CZ3 4.34Å; Y75-W149 AromaticContact CD2-CD1 3.86Å; Y75-W149 AromaticContact CD2-NE1 3.83Å; Y75-W149 AromaticContact CE2-CD1 3.35Å; Y75-W149 AromaticContact CE2-NE1 3.81Å; Y75-W149 AromaticContact CZ-CD1 3.65Å; W149-H166 WeakPolarHBondContact CZ3-O 3.17Å; W149-H167 VanDerWaalsContact CZ3-C 3.47Å; W149-H167 VanDerWaalsContact CZ3-CA 3.48Å; W149-P168 HydrophobicContact CD2-CG 4.2Å; W149-P168 HydrophobicContact CE3-CG 4.03Å; W149-P168 HydrophobicContact CH2-CG 3.81Å; W149-P168 HydrophobicContact CZ2-CG 3.95Å; W149-P168 HydrophobicContact CZ3-CG 3.86Å; W149-R210 WeakPolarHBondContact O-CA 3.13Å; W149-G211 PolarHBondContact O-N 2.87Å; W149-M245 HydrophobicContact CB-CE 3.76Å; W149-M245 HydrophobicContact CG-CE 3.74Å
150	F	98.6	Very high	97.2	Very high	6 Å²	6	22.3 Å²	22.3	3%	0.026	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-123.3	146.7	-168.4	-61.9	-60.7	0	0	0	110.5	G153 L159 P168 D170 F208 R210 M245	F150-G153 PolarHBondContact O-N 3.16Å; F150-G153 VanDerWaalsContact O-N 3.16Å; F150-L159 HydrophobicContact CB-CD1 4.38Å; F150-L159 HydrophobicContact CD2-CD1 3.85Å; F150-L159 HydrophobicContact CE2-CD1 4.33Å; F150-L159 HydrophobicContact CG-CD1 4.09Å; F150-P168 WeakPolarHBondContact CZ-O 2.95Å; F150-D170 HydrophobicContact CE2-CB 4.42Å; F150-F208 HydrophobicContact CB-CE2 3.85Å; F150-F208 AromaticContact CD1-CE2 3.58Å; F150-F208 HydrophobicContact CD1-CE2 3.58Å; F150-F208 AromaticContact CD1-CZ 3.81Å; F150-F208 HydrophobicContact CD1-CZ 3.81Å; F150-F208 HydrophobicContact CE1-CZ 4.4Å; F150-F208 HydrophobicContact CG-CE2 4.05Å; F150-F208 HydrophobicContact CG-CZ 4.44Å; F150-R210 HydrophobicContact CD1-CG 3.69Å; F150-R210 HydrophobicContact CE1-CG 3.9Å; F150-M245 HydrophobicContact CE1-CB 4.44Å; F150-M245 HydrophobicContact CE1-CG 3.83Å; F150-M245 HydrophobicContact CZ-CB 4.47Å; F150-M245 HydrophobicContact CZ-CG 4.26Å
151	E	98.3	Very high	97.2	Very high	49 Å²	49	26.9 Å²	26.9	23%	0.229	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	141.6	175.5	-162.3	-174	152.8	0	0	111.2	G153 S156 F158 Y180 F208 G209 Q214	E151-G153 VanDerWaalsContact C-N 3.27Å; E151-G153 PolarHBondContact O-N 3.05Å; E151-S156 VanDerWaalsContact O-CB 3.23Å; E151-S156 WeakPolarHBondContact O-CB 3.45Å; E151-S156 PolarHBondContact O-OG 3.43Å; E151-F158 HydrophobicContact CB-CD2 4.06Å; E151-F158 HydrophobicContact CB-CE2 3.81Å; E151-F158 HydrophobicContact CG-CD2 4.47Å; E151-F158 HydrophobicContact CG-CE2 3.72Å; E151-Y180 VanDerWaalsContact CD-OH 3.28Å; E151-Y180 PolarHBondContact OE1-OH 3.25Å; E151-Y180 WeakPolarHBondContact OE2-CE1 3.5Å; E151-Y180 PolarHBondContact OE2-OH 2.03Å; E151-F208 HydrophobicContact CB-CD2 4.1Å; E151-G209 PolarHBondContact N-O 2.77Å; E151-G209 PolarHBondContact OE2-N 2.82Å; E151-Q214 VanDerWaalsContact CB-OE1 3.29Å
152	G	96.3	Very high	97	Very high	57 Å²	57	33.3 Å²	33.3	59%	0.588	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.3	-32.6	-174.8	0	0	0	0	0	113.4
153	G	91.6	Very high	97	Very high	13 Å²	13	33.8 Å²	33.8	13%	0.134	20%	0.199	C	C	.	.			trans	50.6	171.7	170.4	0	0	0	0	0	116.3	N148 F150 E151 T155	N148-G153 VanDerWaalsContact OD1-CA 3.27Å; N148-G153 WeakPolarHBondContact OD1-CA 3.47Å; F150-G153 PolarHBondContact O-N 3.16Å; F150-G153 VanDerWaalsContact O-N 3.16Å; E151-G153 VanDerWaalsContact C-N 3.27Å; E151-G153 PolarHBondContact O-N 3.05Å; G153-T155 CarbonylContact O-C 3.27Å; G153-T155 PolarHBondContact O-N 2.04Å
154	P	96.2	Very high	96.9	Very high	32 Å²	32	34.6 Å²	34.6	21%	0.208	21%	0.205	C	C	.	.	S	Bend		-50.5	-17.7	-79.4	31.5	-33.3	0	0	0	114.7	Y25 L65 Y147 N148 H166	Y25-P154 HydrophobicContact CD1-CB 3.85Å; Y25-P154 HydrophobicContact CD1-CG 3.79Å; Y25-P154 HydrophobicContact CD2-CB 3.55Å; Y25-P154 HydrophobicContact CD2-CG 3.74Å; Y25-P154 HydrophobicContact CE1-CB 4.03Å; Y25-P154 HydrophobicContact CE1-CG 3.42Å; Y25-P154 VanDerWaalsContact CE1-CG 3.42Å; Y25-P154 HydrophobicContact CE2-CB 3.75Å; Y25-P154 HydrophobicContact CE2-CG 3.37Å; Y25-P154 HydrophobicContact CG-CB 3.61Å; Y25-P154 HydrophobicContact CG-CG 3.94Å; L65-P154 HydrophobicContact CD2-CB 3.81Å; Y147-P154 HydrophobicContact CE1-CB 4.31Å; N148-P154 WeakPolarHBondContact OD1-CA 3.2Å; P154-H166 PolarHBondContact O-CD2 3.05Å; P154-H166 PolarHBondContact O-NE2 3.16Å
155	T	97.7	Very high	97	Very high	78 Å²	78	34.6 Å²	34.6	48%	0.479	21%	0.206	S	C	.	.	S	Bend	trans	-112.5	97.5	169.6	-57.9	0	0	0	0	108.3	G153 P164 H166	G153-T155 CarbonylContact O-C 3.27Å; G153-T155 PolarHBondContact O-N 2.04Å; T155-P164 CarbonylContact C-O 3.08Å; T155-P164 WeakPolarHBondContact CA-O 3.4Å; T155-P164 HydrophobicContact CG2-CB 3.78Å; T155-H166 PolarHBondContact OG1-NE2 3.49Å
156	S	98	Very high	97	Very high	7 Å²	7	37.2 Å²	37.2	5%	0.049	22%	0.218	C	C	.	.			trans	-77.5	130	-173.4	-179.6	0	0	0	0	112.2	E151 F158 L159 P164	E151-S156 VanDerWaalsContact O-CB 3.23Å; E151-S156 WeakPolarHBondContact O-CB 3.45Å; E151-S156 PolarHBondContact O-OG 3.43Å; S156-F158 PolarHBondContact O-N 3.05Å; S156-F158 PolarHBondContact OG-N 3.48Å; S156-L159 PolarHBondContact O-N 3.26Å; S156-P164 PolarHBondContact N-O 2.92Å
157	Q	97.2	Very high	96.9	Very high	147 Å²	147	41.5 Å²	41.5	69%	0.687	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.6	172.1	66.8	178.8	-32.6	0	0	113.7	L159 N175	Q157-L159 VanDerWaalsContact C-N 3.3Å; Q157-N175 PolarHBondContact O-ND2 2.79Å
158	F	97.9	Very high	96.8	Very high	15 Å²	15	41.9 Å²	41.9	7%	0.066	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-18.3	178.4	-58.3	-54.8	0	0	0	112.4	E151 S156 C174 N175 A177 Y180 F208	E151-F158 HydrophobicContact CB-CD2 4.06Å; E151-F158 HydrophobicContact CB-CE2 3.81Å; E151-F158 HydrophobicContact CG-CD2 4.47Å; E151-F158 HydrophobicContact CG-CE2 3.72Å; S156-F158 PolarHBondContact O-N 3.05Å; S156-F158 PolarHBondContact OG-N 3.48Å; F158-C174 CarbonylContact O-C 3.3Å; F158-C174 WeakPolarHBondContact O-CA 3.48Å; F158-C174 VanDerWaalsContact O-CB 3.28Å; F158-C174 WeakPolarHBondContact O-CB 3.41Å; F158-N175 PolarHBondContact O-N 3.44Å; F158-A177 HydrophobicContact CD1-CB 3.91Å; F158-A177 HydrophobicContact CE1-CB 3.98Å; F158-Y180 HydrophobicContact CE1-CE2 4.39Å; F158-Y180 HydrophobicContact CZ-CE2 4.38Å; F158-F208 HydrophobicContact CB-CD1 4.37Å; F158-F208 HydrophobicContact CB-CG 4.32Å; F158-F208 HydrophobicContact CD2-CB 4.29Å; F158-F208 HydrophobicContact CD2-CD2 4.24Å; F158-F208 HydrophobicContact CD2-CG 4.33Å
159	L	97.8	Very high	96.7	Very high	11 Å²	11	44.5 Å²	44.5	6%	0.058	25%	0.254	C	S	.	.	S	Bend	trans	-96.7	158.9	-172.8	-62.5	-178.9	0	0	0	112.4	F150 S156 Q157 A163 D170 L173 F208	F150-L159 HydrophobicContact CB-CD1 4.38Å; F150-L159 HydrophobicContact CD2-CD1 3.85Å; F150-L159 HydrophobicContact CE2-CD1 4.33Å; F150-L159 HydrophobicContact CG-CD1 4.09Å; S156-L159 PolarHBondContact O-N 3.26Å; Q157-L159 VanDerWaalsContact C-N 3.3Å; L159-A163 WeakPolarHBondContact CB-O 3.38Å; L159-D170 HydrophobicContact CD1-CB 4.32Å; L159-L173 WeakPolarHBondContact CD2-O 3.39Å; L159-F208 HydrophobicContact CD2-CE1 3.9Å; L159-F208 HydrophobicContact CD2-CE2 4.46Å; L159-F208 HydrophobicContact CD2-CZ 3.57Å; L159-F208 HydrophobicContact CG-CZ 4.37Å
160	P	96.5	Very high	96.7	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.013	26%	0.258	C	S	.	.			trans	-59.8	142.7	170.7	-18.5	30	0	0	0	111.7	Y162 A163 L173 Y202	P160-Y162 HydrophobicContact CB-CD1 3.8Å; P160-Y162 HydrophobicContact CB-CD2 4.34Å; P160-Y162 HydrophobicContact CB-CE1 3.42Å; P160-Y162 VanDerWaalsContact CB-CE1 3.42Å; P160-Y162 HydrophobicContact CB-CE2 3.99Å; P160-Y162 HydrophobicContact CB-CG 4.26Å; P160-Y162 HydrophobicContact CG-CE1 4.28Å; P160-Y162 HydrophobicContact CG-CE2 4.39Å; P160-Y162 PolarHBondContact O-N 3.09Å; P160-Y162 VanDerWaalsContact O-N 3.08Å; P160-A163 CarbonylContact O-C 3.59Å; P160-A163 PolarHBondContact O-N 2.9Å; P160-A163 VanDerWaalsContact O-O 3.12Å; P160-L173 WeakPolarHBondContact CD-O 3.31Å; P160-L173 HydrophobicContact CG-CB 3.94Å; P160-Y202 HydrophobicContact CB-CD1 4.37Å; P160-Y202 HydrophobicContact CB-CE1 3.69Å; P160-Y202 HydrophobicContact CB-CE2 4.39Å; P160-Y202 HydrophobicContact CG-CD1 3.83Å; P160-Y202 HydrophobicContact CG-CE1 3.65Å; P160-Y202 HydrophobicContact CG-CG 4.39Å
161	A	95	Very high	96.6	Very high	96 Å²	96	44.8 Å²	44.8	79%	0.793	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.3	-179.8	0	0	0	0	0	114	A163	A161-A163 VanDerWaalsContact C-N 3.34Å
162	Y	94.9	Very high	96.6	Very high	137 Å²	137	46.2 Å²	46.2	54%	0.537	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.6	176.8	62.5	-101	0	0	0	114	P160 L173 Y202	P160-Y162 HydrophobicContact CB-CD1 3.8Å; P160-Y162 HydrophobicContact CB-CD2 4.34Å; P160-Y162 HydrophobicContact CB-CE1 3.42Å; P160-Y162 VanDerWaalsContact CB-CE1 3.42Å; P160-Y162 HydrophobicContact CB-CE2 3.99Å; P160-Y162 HydrophobicContact CB-CG 4.26Å; P160-Y162 HydrophobicContact CG-CE1 4.28Å; P160-Y162 HydrophobicContact CG-CE2 4.39Å; P160-Y162 PolarHBondContact O-N 3.09Å; P160-Y162 VanDerWaalsContact O-N 3.08Å; Y162-L173 WeakPolarHBondContact OH-CD1 3.44Å; Y162-Y202 HydrophobicContact CE1-CE2 4.17Å
163	A	96.1	Very high	96.7	Very high	12 Å²	12	44.7 Å²	44.7	10%	0.099	24%	0.244	C	C	.	.	S	Bend	trans	-140.5	67	178.3	0	0	0	0	0	108.1	L159 P160 A161 G165 D170	L159-A163 WeakPolarHBondContact CB-O 3.38Å; P160-A163 CarbonylContact O-C 3.59Å; P160-A163 PolarHBondContact O-N 2.9Å; P160-A163 VanDerWaalsContact O-O 3.12Å; A161-A163 VanDerWaalsContact C-N 3.34Å; A163-G165 PolarHBondContact O-N 2.72Å; A163-G165 VanDerWaalsContact O-N 3.14Å; A163-D170 HydrophobicContact CB-CB 3.92Å; A163-D170 WeakPolarHBondContact O-CB 3.42Å
164	P	96.3	Very high	97	Very high	24 Å²	24	44 Å²	44	16%	0.156	24%	0.238	C	C	.	.			trans	-76.9	3	-164.3	30.7	-36.6	0	0	0	115	T155 S156	T155-P164 CarbonylContact C-O 3.08Å; T155-P164 WeakPolarHBondContact CA-O 3.4Å; T155-P164 HydrophobicContact CG2-CB 3.78Å; S156-P164 PolarHBondContact N-O 2.92Å
165	G	97.3	Very high	97.1	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.021	24%	0.24	C	C	.	.	S	Bend	trans	105.8	16	-176.4	0	0	0	0	0	113.9	A163 H167 D170	A163-G165 PolarHBondContact O-N 2.72Å; A163-G165 VanDerWaalsContact O-N 3.14Å; G165-H167 VanDerWaalsContact C-N 3.34Å; G165-D170 WeakPolarHBondContact CA-OD2 3.43Å; G165-D170 PolarHBondContact N-OD2 3.11Å
166	H	97.4	Very high	97	Very high	55 Å²	55	43.9 Å²	43.9	26%	0.255	24%	0.241	S	C	.	.	S	Bend	trans	-88.6	-4.5	179.5	-63.2	177.3	0	0	0	112.6	Y25 W149 P154 T155 D170	Y25-H166 AromaticContact CD1-NE2 3.97Å; W149-H166 WeakPolarHBondContact CZ3-O 3.17Å; P154-H166 PolarHBondContact O-CD2 3.05Å; P154-H166 PolarHBondContact O-NE2 3.16Å; T155-H166 PolarHBondContact OG1-NE2 3.49Å; H166-D170 PolarHBondContact N-OD2 2.65Å
167	H	96.5	Very high	96.9	Very high	89 Å²	89	46.4 Å²	46.4	41%	0.412	26%	0.262	S	S	.	.	S	Bend	trans	-132.7	147.5	166.6	-167	-91.6	0	0	0	110.6	W149 G165 I169 D170	W149-H167 VanDerWaalsContact CZ3-C 3.47Å; W149-H167 VanDerWaalsContact CZ3-CA 3.48Å; G165-H167 VanDerWaalsContact C-N 3.34Å; H167-I169 HydrophobicContact CB-CG2 4.19Å; H167-I169 WeakPolarHBondContact ND1-CB 3.04Å; H167-I169 WeakPolarHBondContact ND1-CG2 3.09Å; H167-I169 PolarHBondContact ND1-N 3.29Å; H167-I169 VanDerWaalsContact ND1-N 3.19Å; H167-I169 PolarHBondContact O-N 2.91Å; H167-D170 PolarHBondContact N-OD2 3.34Å; H167-D170 VanDerWaalsContact N-OD2 3.08Å; H167-D170 WeakPolarHBondContact O-CB 3.43Å; H167-D170 PolarHBondContact O-N 3.12Å
168	P	96.7	Very high	97	Very high	15 Å²	15	39.4 Å²	39.4	10%	0.097	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-59.4	-21	178.4	-26.4	36.9	0	0	0	114.4	P74 W149 F150 D170 N242 M245 T246	P74-P168 HydrophobicContact CG-CB 4.24Å; P74-P168 HydrophobicContact CG-CG 3.84Å; W149-P168 HydrophobicContact CD2-CG 4.2Å; W149-P168 HydrophobicContact CE3-CG 4.03Å; W149-P168 HydrophobicContact CH2-CG 3.81Å; W149-P168 HydrophobicContact CZ2-CG 3.95Å; W149-P168 HydrophobicContact CZ3-CG 3.86Å; F150-P168 WeakPolarHBondContact CZ-O 2.95Å; P168-D170 VanDerWaalsContact C-N 3.3Å; P168-N242 PolarHBondContact O-ND2 3.47Å; P168-N242 PolarHBondContact O-OD1 3.42Å; P168-M245 HydrophobicContact CB-CB 4.28Å; P168-T246 HydrophobicContact CB-CG2 4.35Å; P168-T246 WeakPolarHBondContact O-CG2 3.33Å
169	I	96.3	Very high	97	Very high	75 Å²	75	40.7 Å²	40.7	39%	0.385	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-75.2	-19.1	176.2	-158.5	60.8	0	0	0	113.1	H167 G171 D172 N242 T246	H167-I169 HydrophobicContact CB-CG2 4.19Å; H167-I169 WeakPolarHBondContact ND1-CB 3.04Å; H167-I169 WeakPolarHBondContact ND1-CG2 3.09Å; H167-I169 PolarHBondContact ND1-N 3.29Å; H167-I169 VanDerWaalsContact ND1-N 3.19Å; H167-I169 PolarHBondContact O-N 2.91Å; I169-G171 PolarHBondContact O-N 3.31Å; I169-G171 VanDerWaalsContact O-N 3.09Å; I169-D172 WeakPolarHBondContact CD1-OD2 3.15Å; I169-D172 PolarHBondContact O-N 3.19Å; I169-N242 PolarHBondContact O-ND2 3.06Å; I169-T246 HydrophobicContact CD1-CG2 3.89Å
170	D	97.4	Very high	97	Very high	25 Å²	25	42.8 Å²	42.8	13%	0.134	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-62.6	-24.3	-173.7	-72.2	-0.1	0	0	0	112.4	F150 L159 A163 G165 H166 H167 P168 D172	F150-D170 HydrophobicContact CE2-CB 4.42Å; L159-D170 HydrophobicContact CD1-CB 4.32Å; A163-D170 HydrophobicContact CB-CB 3.92Å; A163-D170 WeakPolarHBondContact O-CB 3.42Å; G165-D170 WeakPolarHBondContact CA-OD2 3.43Å; G165-D170 PolarHBondContact N-OD2 3.11Å; H166-D170 PolarHBondContact N-OD2 2.65Å; H167-D170 PolarHBondContact N-OD2 3.34Å; H167-D170 VanDerWaalsContact N-OD2 3.08Å; H167-D170 WeakPolarHBondContact O-CB 3.43Å; H167-D170 PolarHBondContact O-N 3.12Å; P168-D170 VanDerWaalsContact C-N 3.3Å; D170-D172 PolarHBondContact O-N 3.12Å
171	G	97.9	Very high	97.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-73.8	5.2	178.4	0	0	0	0	0	116.2	I169 L173 R210 N242	I169-G171 PolarHBondContact O-N 3.31Å; I169-G171 VanDerWaalsContact O-N 3.09Å; G171-L173 VanDerWaalsContact C-N 3.25Å; G171-L173 PolarHBondContact O-N 2.02Å; G171-R210 PolarHBondContact O-NH2 3.14Å; G171-N242 WeakPolarHBondContact CA-OD1 3.21Å
172	D	97.8	Very high	97.2	Very high	78 Å²	78	42.3 Å²	42.3	42%	0.417	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-66.9	-26.2	178.5	-81.8	-1.6	0	0	0	113.3	I169 D170 N242	I169-D172 WeakPolarHBondContact CD1-OD2 3.15Å; I169-D172 PolarHBondContact O-N 3.19Å; D170-D172 PolarHBondContact O-N 3.12Å; D172-N242 PolarHBondContact N-ND2 3.43Å; D172-N242 WeakPolarHBondContact OD1-CB 3.38Å; D172-N242 PolarHBondContact OD1-ND2 2.98Å
173	L	98	Very high	97.2	Very high	25 Å²	25	39.4 Å²	39.4	13%	0.131	23%	0.23	C	C	.	.			trans	-130.8	151.8	-179.4	-64.4	175	0	0	0	110.2	L159 P160 Y162 G171 F198 Y203 K204	L159-L173 WeakPolarHBondContact CD2-O 3.39Å; P160-L173 WeakPolarHBondContact CD-O 3.31Å; P160-L173 HydrophobicContact CG-CB 3.94Å; Y162-L173 WeakPolarHBondContact OH-CD1 3.44Å; G171-L173 VanDerWaalsContact C-N 3.25Å; G171-L173 PolarHBondContact O-N 2.02Å; L173-F198 HydrophobicContact CD1-CB 4.36Å; L173-F198 HydrophobicContact CD1-CD1 3.54Å; L173-F198 HydrophobicContact CD1-CE1 3.97Å; L173-F198 HydrophobicContact CD1-CG 4.04Å; L173-F198 HydrophobicContact CD2-CB 3.81Å; L173-F198 HydrophobicContact CD2-CG 4.3Å; L173-Y203 WeakPolarHBondContact CA-O 3.44Å; L173-Y203 WeakPolarHBondContact CD2-O 3.39Å; L173-K204 HydrophobicContact CD2-CG 3.93Å
174	C	98.2	Very high	97.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-145.1	160.6	174	62.5	0	0	0	0	110.6	F158 G178 Y202 Y203 C206 F208	F158-C174 CarbonylContact O-C 3.3Å; F158-C174 WeakPolarHBondContact O-CA 3.48Å; F158-C174 VanDerWaalsContact O-CB 3.28Å; F158-C174 WeakPolarHBondContact O-CB 3.41Å; C174-G178 VanDerWaalsContact SG-C 3.55Å; C174-G178 PolarHBondContact SG-O 2.79Å; C174-Y202 CarbonylContact O-C 3.18Å; C174-Y202 VanDerWaalsContact O-CA 3.27Å; C174-Y202 WeakPolarHBondContact O-CA 2.95Å; C174-Y203 PolarHBondContact N-O 3.25Å; C174-Y203 PolarHBondContact O-N 3.1Å; C174-C206 VanDerWaalsContact CA-SG 3.56Å; C174-C206 HydrophobicContact CB-CB 3.69Å; C174-C206 WeakPolarHBondContact CB-SG 3.31Å; C174-C206 PolarHBondContact N-SG 3.23Å; C174-C206 WeakPolarHBondContact SG-CA 3.27Å; C174-C206 WeakPolarHBondContact SG-CB 3.34Å; C174-C206 CovalentContact SG-SG 2.03Å; C174-C206 PolarHBondContact SG-SG 3.42Å; C174-F208 HydrophobicContact CB-CD1 4.12Å; C174-F208 HydrophobicContact CB-CE1 3.99Å
175	N	97.3	Very high	97	Very high	46 Å²	46	44.3 Å²	44.3	25%	0.246	26%	0.262	C	S	.	.			trans	-75	179.6	166.7	65.5	28.5	0	0	0	111.2	Q157 F158 A177 G178	Q157-N175 PolarHBondContact O-ND2 2.79Å; F158-N175 PolarHBondContact O-N 3.44Å; N175-A177 PolarHBondContact O-N 3.42Å; N175-A177 WeakPolarHBondContact OD1-CB 3.27Å; N175-A177 PolarHBondContact OD1-N 2.9Å; N175-G178 PolarHBondContact O-N 3.33Å; N175-G178 VanDerWaalsContact O-N 3.09Å; N175-G178 PolarHBondContact OD1-N 3.19Å
176	A	96.6	Very high	96.8	Very high	61 Å²	61	46.6 Å²	46.6	50%	0.504	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-57.3	-33.1	-178.5	0	0	0	0	0	113.8	G178 K179 Y203	A176-G178 VanDerWaalsContact C-N 3.33Å; A176-K179 WeakPolarHBondContact O-CG 3.32Å; A176-K179 PolarHBondContact O-N 3.09Å; A176-Y203 HydrophobicContact CB-CE2 3.94Å
177	A	96.9	Very high	96.7	Very high	59 Å²	59	44.6 Å²	44.6	49%	0.488	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-70.6	-29.4	179.4	0	0	0	0	0	112.3	F158 N175 K179 Y180	F158-A177 HydrophobicContact CD1-CB 3.91Å; F158-A177 HydrophobicContact CE1-CB 3.98Å; N175-A177 PolarHBondContact O-N 3.42Å; N175-A177 WeakPolarHBondContact OD1-CB 3.27Å; N175-A177 PolarHBondContact OD1-N 2.9Å; A177-K179 VanDerWaalsContact C-N 3.27Å; A177-K179 PolarHBondContact O-N 3.36Å; A177-Y180 VanDerWaalsContact O-CD2 3.23Å; A177-Y180 WeakPolarHBondContact O-CD2 3.24Å; A177-Y180 WeakPolarHBondContact O-CE2 3.12Å
178	G	97.7	Very high	96.6	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-79.9	3.5	177.3	0	0	0	0	0	115.3	C174 N175 A176 C206 Y207 F208	C174-G178 VanDerWaalsContact SG-C 3.55Å; C174-G178 PolarHBondContact SG-O 2.79Å; N175-G178 PolarHBondContact O-N 3.33Å; N175-G178 VanDerWaalsContact O-N 3.09Å; N175-G178 PolarHBondContact OD1-N 3.19Å; A176-G178 VanDerWaalsContact C-N 3.33Å; G178-C206 WeakPolarHBondContact O-CA 3.43Å; G178-Y207 PolarHBondContact O-N 3.28Å; G178-F208 WeakPolarHBondContact O-CD1 3.48Å; G178-F208 PolarHBondContact O-N 2.76Å
179	K	97.9	Very high	96.6	Very high	43 Å²	43	46.6 Å²	46.6	19%	0.187	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-63	-49.1	-178.1	-77.1	-171.3	67.6	178.7	0	112.2	A176 A177 C181 E195 Y203 Y207	A176-K179 WeakPolarHBondContact O-CG 3.32Å; A176-K179 PolarHBondContact O-N 3.09Å; A177-K179 VanDerWaalsContact C-N 3.27Å; A177-K179 PolarHBondContact O-N 3.36Å; K179-C181 VanDerWaalsContact C-N 3.28Å; K179-C181 PolarHBondContact O-N 3.04Å; K179-E195 IonicContact NZ-OE1 2.64Å; K179-E195 PolarHBondContact NZ-OE1 3.08Å; K179-E195 IonicContact NZ-OE2 3.43Å; K179-E195 PolarHBondContact NZ-OE2 3.06Å; K179-Y203 HydrophobicContact CD-CD1 3.77Å; K179-Y203 HydrophobicContact CD-CD2 4.3Å; K179-Y203 HydrophobicContact CD-CE1 3.76Å; K179-Y203 HydrophobicContact CD-CE2 4.35Å; K179-Y203 HydrophobicContact CD-CG 4.03Å; K179-Y203 HydrophobicContact CG-CD1 4.17Å; K179-Y203 HydrophobicContact CG-CD2 4.16Å; K179-Y203 HydrophobicContact CG-CG 3.94Å; K179-Y207 WeakPolarHBondContact O-CD2 3.43Å; K179-Y207 PolarHBondContact O-N 3.26Å
180	Y	98.2	Very high	96.6	Very high	55 Å²	55	44 Å²	44	22%	0.216	26%	0.257	C	S	.	.			trans	45.3	52.7	-177.2	-77.8	-145.7	0	0	0	111.5	E151 F158 A177 Y207 F208 Y217 N218	E151-Y180 VanDerWaalsContact CD-OH 3.28Å; E151-Y180 PolarHBondContact OE1-OH 3.25Å; E151-Y180 WeakPolarHBondContact OE2-CE1 3.5Å; E151-Y180 PolarHBondContact OE2-OH 2.03Å; F158-Y180 HydrophobicContact CE1-CE2 4.39Å; F158-Y180 HydrophobicContact CZ-CE2 4.38Å; A177-Y180 VanDerWaalsContact O-CD2 3.23Å; A177-Y180 WeakPolarHBondContact O-CD2 3.24Å; A177-Y180 WeakPolarHBondContact O-CE2 3.12Å; Y180-Y207 WeakPolarHBondContact CB-O 3.16Å; Y180-Y207 WeakPolarHBondContact O-CB 3.46Å; Y180-F208 HydrophobicContact CD1-CB 4.32Å; Y180-F208 HydrophobicContact CD2-CB 4.28Å; Y180-F208 HydrophobicContact CE1-CB 4.43Å; Y180-F208 HydrophobicContact CE2-CB 4.43Å; Y180-F208 HydrophobicContact CG-CB 4.24Å; Y180-Y217 HydrophobicContact CD1-CD2 4.4Å; Y180-Y217 HydrophobicContact CD1-CE2 4.17Å; Y180-Y217 VanDerWaalsContact O-CA 3.3Å; Y180-Y217 WeakPolarHBondContact O-CA 3.48Å; Y180-N218 PolarHBondContact O-N 3.08Å
181	C	98	Very high	96.6	Very high	35 Å²	35	43.1 Å²	43.1	24%	0.236	25%	0.252	C	S	.	.			trans	-118.2	128.8	-179.3	-154.6	0	0	0	0	111.9	K179 C193 Y207 N218	K179-C181 VanDerWaalsContact C-N 3.28Å; K179-C181 PolarHBondContact O-N 3.04Å; C181-C193 HydrophobicContact CB-CB 3.98Å; C181-C193 WeakPolarHBondContact CB-SG 3.47Å; C181-C193 WeakPolarHBondContact SG-CA 3.37Å; C181-C193 WeakPolarHBondContact SG-CB 3.41Å; C181-C193 CovalentContact SG-SG 2Å; C181-C193 PolarHBondContact SG-SG 3.01Å; C181-Y207 HydrophobicContact CB-CD2 4.04Å; C181-Y207 HydrophobicContact CB-CE2 4.17Å; C181-N218 VanDerWaalsContact SG-CB 3.54Å; C181-N218 PolarHBondContact SG-ND2 3.28Å
182	V	97.4	Very high	96.6	Very high	53 Å²	53	46 Å²	46	32%	0.321	27%	0.27	S	S	.	.			trans	-99.6	126.9	169.6	-178.3	0	0	0	0	108.4	Q187 Y217 N218 F219	V182-Q187 HydrophobicContact CG1-CG 4.14Å; V182-Q187 WeakPolarHBondContact O-CB 3.5Å; V182-Y217 HydrophobicContact CG2-CD1 4.05Å; V182-Y217 HydrophobicContact CG2-CE1 4.34Å; V182-N218 PolarHBondContact N-OD1 3.4Å; V182-N218 PolarHBondContact O-ND2 3.29Å; V182-F219 HydrophobicContact CG2-CD1 4.44Å; V182-F219 HydrophobicContact CG2-CE1 4.07Å
183	S	96.2	Very high	96.6	Very high	76 Å²	76	43.3 Å²	43.3	53%	0.531	26%	0.258	S	S	.	.			trans	-123.2	124.8	178.5	-179.1	0	0	0	0	110.5	N188	S183-N188 VanDerWaalsContact OG-CG 3.31Å; S183-N188 PolarHBondContact OG-ND2 3.07Å; S183-N188 VanDerWaalsContact OG-ND2 3.16Å; S183-N188 PolarHBondContact OG-OD1 3Å
184	N	94.3	Very high	96.6	Very high	76 Å²	76	43.4 Å²	43.4	41%	0.406	26%	0.258	S	S	.	.	S	Bend	trans	-158.2	179.1	169.3	62.4	43	0	0	0	107.9	E186 Q187 N188	N184-E186 VanDerWaalsContact C-N 3.32Å; N184-E186 PolarHBondContact O-N 3.47Å; N184-E186 PolarHBondContact OD1-N 2.83Å; N184-E186 VanDerWaalsContact OD1-N 3.13Å; N184-Q187 PolarHBondContact O-N 3.41Å; N184-Q187 WeakPolarHBondContact OD1-CG 3.11Å; N184-Q187 PolarHBondContact OD1-N 2.88Å; N184-N188 WeakPolarHBondContact O-CB 3.43Å; N184-N188 PolarHBondContact O-N 3.28Å; N184-N188 PolarHBondContact O-ND2 2.94Å
185	A	92.2	Very high	96.5	Very high	63 Å²	63	48.1 Å²	48.1	52%	0.521	28%	0.28	S	S	.	.	H	α-helix	trans	-54.4	-45.3	-175.7	0	0	0	0	0	113.3	Y189	A185-Y189 PolarHBondContact O-N 2.72Å
186	E	93.7	Very high	96.5	Very high	49 Å²	49	50.4 Å²	50.4	23%	0.229	29%	0.29	C	S	.	.	H	α-helix	trans	-68.1	-51.6	177.5	-67.2	-172.9	-169.2	0	0	111.7	N184 N188 Y189 F190 M384 M418	N184-E186 VanDerWaalsContact C-N 3.32Å; N184-E186 PolarHBondContact O-N 3.47Å; N184-E186 PolarHBondContact OD1-N 2.83Å; N184-E186 VanDerWaalsContact OD1-N 3.13Å; E186-N188 VanDerWaalsContact C-N 3.26Å; E186-N188 PolarHBondContact O-N 3.34Å; E186-Y189 PolarHBondContact O-N 2.82Å; E186-F190 VanDerWaalsContact O-CD2 3.31Å; E186-F190 WeakPolarHBondContact O-CD2 2.97Å; E186-F190 PolarHBondContact O-N 3.27Å; E186-M384 HydrophobicContact CB-CG 3.98Å; E186-M418 HydrophobicContact CB-SD 4.49Å; E186-M418 HydrophobicContact CG-CG 4.13Å; E186-M418 HydrophobicContact CG-SD 4.34Å
187	Q	95.4	Very high	96.5	Very high	14 Å²	14	52.8 Å²	52.8	7%	0.065	29%	0.289	C	S	.	.	H	α-helix	trans	-61.2	-36.3	-178.3	-66.6	-67.8	1.6	0	0	111.9	V182 N184 Y189 Y191 M384	V182-Q187 HydrophobicContact CG1-CG 4.14Å; V182-Q187 WeakPolarHBondContact O-CB 3.5Å; N184-Q187 PolarHBondContact O-N 3.41Å; N184-Q187 WeakPolarHBondContact OD1-CG 3.11Å; N184-Q187 PolarHBondContact OD1-N 2.88Å; Q187-Y189 VanDerWaalsContact C-N 3.26Å; Q187-Y189 PolarHBondContact O-N 2.79Å; Q187-Y191 CarbonylContact O-C 3.23Å; Q187-Y191 VanDerWaalsContact O-CA 3.31Å; Q187-Y191 WeakPolarHBondContact O-CA 3.21Å; Q187-Y191 PolarHBondContact O-N 3.11Å; Q187-M384 PolarHBondContact NE2-SD 3.07Å
188	N	95.8	Very high	96.4	Very high	77 Å²	77	53.7 Å²	53.7	41%	0.412	28%	0.282	S	S	.	.	H	α-helix	trans	-68.1	-27.6	177.6	-69.4	-15.3	0	0	0	112.5	S183 N184 E186 P192	S183-N188 VanDerWaalsContact OG-CG 3.31Å; S183-N188 PolarHBondContact OG-ND2 3.07Å; S183-N188 VanDerWaalsContact OG-ND2 3.16Å; S183-N188 PolarHBondContact OG-OD1 3Å; N184-N188 WeakPolarHBondContact O-CB 3.43Å; N184-N188 PolarHBondContact O-N 3.28Å; N184-N188 PolarHBondContact O-ND2 2.94Å; E186-N188 VanDerWaalsContact C-N 3.26Å; E186-N188 PolarHBondContact O-N 3.34Å; N188-P192 WeakPolarHBondContact O-CB 3.44Å
189	Y	96.1	Very high	96.1	Very high	69 Å²	69	60.7 Å²	60.7	27%	0.271	31%	0.312	S	S	.	.	H	α-helix	trans	-82.4	-47.1	175.9	178.5	-94.4	0	0	0	111.9	A185 E186 Q187 T411 N415 M418	A185-Y189 PolarHBondContact O-N 2.72Å; E186-Y189 PolarHBondContact O-N 2.82Å; Q187-Y189 VanDerWaalsContact C-N 3.26Å; Q187-Y189 PolarHBondContact O-N 2.79Å; Y189-T411 HydrophobicContact CE1-CG2 3.47Å; Y189-T411 VanDerWaalsContact CE1-CG2 3.47Å; Y189-N415 HydrophobicContact CD2-CB 3.67Å; Y189-N415 VanDerWaalsContact CD2-ND2 3.26Å; Y189-N415 WeakPolarHBondContact CD2-ND2 3Å; Y189-N415 HydrophobicContact CE2-CB 3.55Å; Y189-M418 WeakPolarHBondContact CB-SD 3.32Å; Y189-M418 HydrophobicContact CD1-CE 3.95Å; Y189-M418 HydrophobicContact CD1-SD 3.76Å; Y189-M418 HydrophobicContact CE1-CE 4.37Å; Y189-M418 HydrophobicContact CG-CE 4.31Å; Y189-M418 HydrophobicContact CG-SD 3.67Å
190	F	96.5	Very high	95.4	Very high	20 Å²	20	68 Å²	68	9%	0.088	34%	0.34	C	S	.	.	H	α-helix	trans	-82.8	-48.1	-175.1	-73.1	-84.5	0	0	0	112.7	E186 M384 I385 T411 M418	E186-F190 VanDerWaalsContact O-CD2 3.31Å; E186-F190 WeakPolarHBondContact O-CD2 2.97Å; E186-F190 PolarHBondContact O-N 3.27Å; F190-M384 HydrophobicContact CB-CB 4.25Å; F190-M384 HydrophobicContact CB-CG 4.16Å; F190-M384 HydrophobicContact CD1-CB 4Å; F190-M384 HydrophobicContact CD2-CB 3.4Å; F190-M384 VanDerWaalsContact CD2-CB 3.4Å; F190-M384 HydrophobicContact CD2-CG 3.47Å; F190-M384 VanDerWaalsContact CD2-CG 3.47Å; F190-M384 HydrophobicContact CE1-CB 4.19Å; F190-M384 HydrophobicContact CE2-CB 3.62Å; F190-M384 HydrophobicContact CE2-CG 4.02Å; F190-M384 HydrophobicContact CG-CB 3.62Å; F190-M384 HydrophobicContact CG-CG 3.89Å; F190-M384 HydrophobicContact CZ-CB 4.02Å; F190-I385 HydrophobicContact CE1-CD1 3.89Å; F190-I385 HydrophobicContact CE1-CG1 3.7Å; F190-I385 HydrophobicContact CZ-CD1 3.74Å; F190-I385 HydrophobicContact CZ-CG1 3.71Å; F190-T411 HydrophobicContact CE1-CG2 3.98Å; F190-T411 HydrophobicContact CZ-CG2 3.8Å; F190-M418 HydrophobicContact CD2-SD 4.29Å; F190-M418 HydrophobicContact CE2-CE 3.65Å; F190-M418 HydrophobicContact CE2-SD 3.88Å; F190-M418 HydrophobicContact CZ-CE 4.2Å
191	Y	97.6	Very high	95	Very high	7 Å²	7	74.2 Å²	74.2	3%	0.027	36%	0.364	C	S	.	.	S	Bend	trans	-137.3	58.9	-168.8	-48.7	-55	0	0	0	112.4	Q187 N218 F219 G222 Q223 L238 M384	Q187-Y191 CarbonylContact O-C 3.23Å; Q187-Y191 VanDerWaalsContact O-CA 3.31Å; Q187-Y191 WeakPolarHBondContact O-CA 3.21Å; Q187-Y191 PolarHBondContact O-N 3.11Å; Y191-N218 PolarHBondContact O-ND2 2.89Å; Y191-F219 HydrophobicContact CD2-CB 3.74Å; Y191-F219 HydrophobicContact CE2-CB 4.39Å; Y191-F219 HydrophobicContact CG-CB 4.38Å; Y191-G222 VanDerWaalsContact CD1-CA 3.46Å; Y191-G222 VanDerWaalsContact CE1-C 3.49Å; Y191-Q223 HydrophobicContact CE1-CG 4.09Å; Y191-Q223 HydrophobicContact CE2-CG 3.78Å; Y191-Q223 VanDerWaalsContact CZ-CG 3.42Å; Y191-Q223 WeakPolarHBondContact OH-CG 3.33Å; Y191-L238 HydrophobicContact CD1-CD1 4.4Å; Y191-M384 HydrophobicContact CD2-SD 4.19Å; Y191-M384 HydrophobicContact CE2-SD 3.98Å
192	P	97.7	Very high	95	Very high	59 Å²	59	75.1 Å²	75.1	38%	0.383	36%	0.363	S	S	.	.			trans	-59.5	144.7	-173.8	22.8	-34	0	0	0	113.4	N188	N188-P192 WeakPolarHBondContact O-CB 3.44Å
193	C	98	Very high	95	Very high	23 Å²	23	74.2 Å²	74.2	16%	0.155	35%	0.354	C	S	.	.			trans	-66.9	133.7	172.5	-53.6	0	0	0	0	111.4	C181 E195	C181-C193 HydrophobicContact CB-CB 3.98Å; C181-C193 WeakPolarHBondContact CB-SG 3.47Å; C181-C193 WeakPolarHBondContact SG-CA 3.37Å; C181-C193 WeakPolarHBondContact SG-CB 3.41Å; C181-C193 CovalentContact SG-SG 2Å; C181-C193 PolarHBondContact SG-SG 3.01Å; C193-E195 HydrophobicContact CB-CG 4.31Å; C193-E195 WeakPolarHBondContact CB-OE1 3.3Å; C193-E195 PolarHBondContact O-N 2.74Å
194	N	97.8	Very high	95.1	Very high	26 Å²	26	73.8 Å²	73.8	14%	0.139	34%	0.343	C	S	.	.			trans	-78.8	97.7	164.2	-179.3	2	0	0	0	110.6	Q196 G205 Y207 K239	N194-Q196 PolarHBondContact O-N 2.9Å; N194-Q196 WeakPolarHBondContact OD1-CB 3.44Å; N194-Q196 PolarHBondContact OD1-N 2.95Å; N194-G205 WeakPolarHBondContact O-CA 3.45Å; N194-G205 PolarHBondContact O-N 3.24Å; N194-G205 VanDerWaalsContact O-N 3.14Å; N194-Y207 WeakPolarHBondContact CB-OH 3.44Å; N194-Y207 PolarHBondContact N-OH 3.4Å; N194-K239 PolarHBondContact ND2-O 3.37Å
195	E	95.1	Very high	95.3	Very high	99 Å²	99	70.2 Å²	70.2	46%	0.463	32%	0.324	S	S	.	.			trans	-81.2	6.3	-179.9	-67.1	-61.9	152	0	0	114.2	K179 C193 K197	K179-E195 IonicContact NZ-OE1 2.64Å; K179-E195 PolarHBondContact NZ-OE1 3.08Å; K179-E195 IonicContact NZ-OE2 3.43Å; K179-E195 PolarHBondContact NZ-OE2 3.06Å; C193-E195 HydrophobicContact CB-CG 4.31Å; C193-E195 WeakPolarHBondContact CB-OE1 3.3Å; C193-E195 PolarHBondContact O-N 2.74Å; E195-K197 PolarHBondContact O-N 2.97Å
196	Q	97.1	Very high	95.6	Very high	95 Å²	95	67.2 Å²	67.2	44%	0.444	30%	0.299	S	S	.	.			trans	-62.6	127.8	178.8	-173.2	174.5	17.3	0	0	111	N194 K204	N194-Q196 PolarHBondContact O-N 2.9Å; N194-Q196 WeakPolarHBondContact OD1-CB 3.44Å; N194-Q196 PolarHBondContact OD1-N 2.95Å; Q196-K204 HydrophobicContact CB-CB 4.35Å; Q196-K204 HydrophobicContact CB-CD 4.23Å; Q196-K204 HydrophobicContact CB-CG 4.45Å; Q196-K204 VanDerWaalsContact CD-NZ 3.3Å; Q196-K204 HydrophobicContact CG-CD 3.9Å; Q196-K204 HydrophobicContact CG-CG 4.4Å; Q196-K204 VanDerWaalsContact NE2-NZ 3.1Å; Q196-K204 PolarHBondContact O-N 3.11Å; Q196-K204 VanDerWaalsContact OE1-CD 3.31Å
197	K	96.5	Very high	95.8	Very high	110 Å²	110	64.9 Å²	64.9	48%	0.478	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	160.4	176.4	-66.7	-175.7	173.3	-169.4	0	112.9	E195 Y202 Y203	E195-K197 PolarHBondContact O-N 2.97Å; K197-Y202 CarbonylContact C-O 3.48Å; K197-Y202 WeakPolarHBondContact CA-O 3.48Å; K197-Y203 HydrophobicContact CD-CE1 4.34Å; K197-Y203 HydrophobicContact CG-CD1 4.09Å; K197-Y203 HydrophobicContact CG-CE1 4.01Å
198	F	95.2	Very high	96	Very high	78 Å²	78	64.2 Å²	64.2	34%	0.342	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.8	168.3	179.8	-101.5	0	0	0	109.7	L173 Y200 Y202	L173-F198 HydrophobicContact CD1-CB 4.36Å; L173-F198 HydrophobicContact CD1-CD1 3.54Å; L173-F198 HydrophobicContact CD1-CE1 3.97Å; L173-F198 HydrophobicContact CD1-CG 4.04Å; L173-F198 HydrophobicContact CD2-CB 3.81Å; L173-F198 HydrophobicContact CD2-CG 4.3Å; F198-Y200 PolarHBondContact O-N 3.45Å; F198-Y200 VanDerWaalsContact O-N 3.1Å; F198-Y202 HydrophobicContact CD1-CD2 4.32Å; F198-Y202 PolarHBondContact N-O 3.26Å; F198-Y202 PolarHBondContact O-N 3.16Å; F198-Y202 VanDerWaalsContact O-N 3.1Å
199	K	90.5	Very high	96.1	Very high	147 Å²	147	60.5 Å²	60.5	64%	0.639	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.2	41.6	-178.2	-65	-176.6	178	-179.9	0	113.8	Y201	K199-Y201 WeakPolarHBondContact O-CD2 3.36Å; K199-Y201 PolarHBondContact O-N 2.94Å
200	Y	83.8	Confident	96.2	Very high	197 Å²	197	57.2 Å²	57.2	77%	0.773	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	-35.5	-179.5	-65.4	-84.2	0	0	0	118.1	F198	F198-Y200 PolarHBondContact O-N 3.45Å; F198-Y200 VanDerWaalsContact O-N 3.1Å
201	Y	90.6	Very high	96.3	Very high	185 Å²	185	56.3 Å²	56.3	73%	0.725	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-19.5	-170.5	-55.7	-73.9	0	0	0	114.4	K199	K199-Y201 WeakPolarHBondContact O-CD2 3.36Å; K199-Y201 PolarHBondContact O-N 2.94Å
202	Y	97.5	Very high	96.4	Very high	54 Å²	54	56 Å²	56	21%	0.212	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	152.3	179.7	-60	-66.7	0	0	0	111.4	P160 Y162 C174 K197 F198	P160-Y202 HydrophobicContact CB-CD1 4.37Å; P160-Y202 HydrophobicContact CB-CE1 3.69Å; P160-Y202 HydrophobicContact CB-CE2 4.39Å; P160-Y202 HydrophobicContact CG-CD1 3.83Å; P160-Y202 HydrophobicContact CG-CE1 3.65Å; P160-Y202 HydrophobicContact CG-CG 4.39Å; Y162-Y202 HydrophobicContact CE1-CE2 4.17Å; C174-Y202 CarbonylContact O-C 3.18Å; C174-Y202 VanDerWaalsContact O-CA 3.27Å; C174-Y202 WeakPolarHBondContact O-CA 2.95Å; K197-Y202 CarbonylContact C-O 3.48Å; K197-Y202 WeakPolarHBondContact CA-O 3.48Å; F198-Y202 HydrophobicContact CD1-CD2 4.32Å; F198-Y202 PolarHBondContact N-O 3.26Å; F198-Y202 PolarHBondContact O-N 3.16Å; F198-Y202 VanDerWaalsContact O-N 3.1Å
203	Y	98.1	Very high	96.4	Very high	34 Å²	34	53.5 Å²	53.5	13%	0.133	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	155.8	-179.9	-63.4	-96.5	0	0	0	109.6	L173 C174 A176 K179 K197 C206	L173-Y203 WeakPolarHBondContact CA-O 3.44Å; L173-Y203 WeakPolarHBondContact CD2-O 3.39Å; C174-Y203 PolarHBondContact N-O 3.25Å; C174-Y203 PolarHBondContact O-N 3.1Å; A176-Y203 HydrophobicContact CB-CE2 3.94Å; K179-Y203 HydrophobicContact CD-CD1 3.77Å; K179-Y203 HydrophobicContact CD-CD2 4.3Å; K179-Y203 HydrophobicContact CD-CE1 3.76Å; K179-Y203 HydrophobicContact CD-CE2 4.35Å; K179-Y203 HydrophobicContact CD-CG 4.03Å; K179-Y203 HydrophobicContact CG-CD1 4.17Å; K179-Y203 HydrophobicContact CG-CD2 4.16Å; K179-Y203 HydrophobicContact CG-CG 3.94Å; K197-Y203 HydrophobicContact CD-CE1 4.34Å; K197-Y203 HydrophobicContact CG-CD1 4.09Å; K197-Y203 HydrophobicContact CG-CE1 4.01Å; Y203-C206 PolarHBondContact O-SG 2.9Å
204	K	97.8	Very high	96.4	Very high	67 Å²	67	53.2 Å²	53.2	29%	0.291	23%	0.227	S	C	.	.	S	Bend	trans	-99.1	-28.1	169.8	-64.6	-168.1	-176.2	179	0	112.9	L173 Q196 C206 P241	L173-K204 HydrophobicContact CD2-CG 3.93Å; Q196-K204 HydrophobicContact CB-CB 4.35Å; Q196-K204 HydrophobicContact CB-CD 4.23Å; Q196-K204 HydrophobicContact CB-CG 4.45Å; Q196-K204 VanDerWaalsContact CD-NZ 3.3Å; Q196-K204 HydrophobicContact CG-CD 3.9Å; Q196-K204 HydrophobicContact CG-CG 4.4Å; Q196-K204 VanDerWaalsContact NE2-NZ 3.1Å; Q196-K204 PolarHBondContact O-N 3.11Å; Q196-K204 VanDerWaalsContact OE1-CD 3.31Å; K204-C206 VanDerWaalsContact C-N 3.28Å; K204-C206 PolarHBondContact O-N 3.37Å; K204-P241 WeakPolarHBondContact O-CG 3.4Å
205	G	97.9	Very high	96.4	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.01	22%	0.221	C	C	.	.			trans	-76.1	81	169.4	0	0	0	0	0	110.9	N194	N194-G205 WeakPolarHBondContact O-CA 3.45Å; N194-G205 PolarHBondContact O-N 3.24Å; N194-G205 VanDerWaalsContact O-N 3.14Å
206	C	98.2	Very high	96.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	21%	0.206	C	C	.	.			trans	-115	92.5	-174.8	-65.4	0	0	0	0	110.2	C174 G178 Y203 K204 F208 R210 P241	C174-C206 VanDerWaalsContact CA-SG 3.56Å; C174-C206 HydrophobicContact CB-CB 3.69Å; C174-C206 WeakPolarHBondContact CB-SG 3.31Å; C174-C206 PolarHBondContact N-SG 3.23Å; C174-C206 WeakPolarHBondContact SG-CA 3.27Å; C174-C206 WeakPolarHBondContact SG-CB 3.34Å; C174-C206 CovalentContact SG-SG 2.03Å; C174-C206 PolarHBondContact SG-SG 3.42Å; G178-C206 WeakPolarHBondContact O-CA 3.43Å; Y203-C206 PolarHBondContact O-SG 2.9Å; K204-C206 VanDerWaalsContact C-N 3.28Å; K204-C206 PolarHBondContact O-N 3.37Å; C206-F208 HydrophobicContact CB-CD1 4.01Å; C206-F208 HydrophobicContact CB-CE1 3.86Å; C206-R210 VanDerWaalsContact O-CZ 3.23Å; C206-R210 PolarHBondContact O-NH1 3.01Å; C206-R210 PolarHBondContact O-NH2 3.4Å; C206-P241 HydrophobicContact CB-CG 4.44Å; C206-P241 WeakPolarHBondContact O-CB 3.45Å; C206-P241 WeakPolarHBondContact O-CG 3.37Å
207	Y	98.7	Very high	96.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	20%	0.204	C	C	.	.			trans	-103.4	20.8	-174.2	-47.3	-68.7	0	0	0	113.6	G178 K179 Y180 C181 N194 S216 Y217 N218 Y221 L238 P241	G178-Y207 PolarHBondContact O-N 3.28Å; K179-Y207 WeakPolarHBondContact O-CD2 3.43Å; K179-Y207 PolarHBondContact O-N 3.26Å; Y180-Y207 WeakPolarHBondContact CB-O 3.16Å; Y180-Y207 WeakPolarHBondContact O-CB 3.46Å; C181-Y207 HydrophobicContact CB-CD2 4.04Å; C181-Y207 HydrophobicContact CB-CE2 4.17Å; N194-Y207 WeakPolarHBondContact CB-OH 3.44Å; N194-Y207 PolarHBondContact N-OH 3.4Å; Y207-S216 CarbonylContact O-C 3.53Å; Y207-S216 WeakPolarHBondContact O-CA 3.37Å; Y207-Y217 PolarHBondContact O-N 2.89Å; Y207-N218 HydrophobicContact CD1-CB 4.44Å; Y207-N218 HydrophobicContact CD2-CB 3.64Å; Y207-N218 HydrophobicContact CE2-CB 3.72Å; Y207-N218 HydrophobicContact CG-CB 4.03Å; Y207-Y221 HydrophobicContact CD1-CD1 4.15Å; Y207-Y221 HydrophobicContact CD1-CD2 4.13Å; Y207-Y221 AromaticContact CD1-CG 3.88Å; Y207-Y221 HydrophobicContact CD1-CG 3.88Å; Y207-L238 HydrophobicContact CE1-CD2 4.3Å; Y207-L238 WeakPolarHBondContact CE1-O 3.21Å; Y207-L238 PolarHBondContact OH-O 3.27Å; Y207-P241 HydrophobicContact CD1-CB 3.91Å; Y207-P241 HydrophobicContact CD1-CG 4.32Å; Y207-P241 HydrophobicContact CE1-CB 4.05Å; Y207-P241 HydrophobicContact CE1-CG 4.16Å
208	F	98.6	Very high	96.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-61.2	167	170.9	70.2	-91.8	0	0	0	112	F150 E151 F158 L159 C174 G178 Y180 C206 R210 Y221	F150-F208 HydrophobicContact CB-CE2 3.85Å; F150-F208 AromaticContact CD1-CE2 3.58Å; F150-F208 HydrophobicContact CD1-CE2 3.58Å; F150-F208 AromaticContact CD1-CZ 3.81Å; F150-F208 HydrophobicContact CD1-CZ 3.81Å; F150-F208 HydrophobicContact CE1-CZ 4.4Å; F150-F208 HydrophobicContact CG-CE2 4.05Å; F150-F208 HydrophobicContact CG-CZ 4.44Å; E151-F208 HydrophobicContact CB-CD2 4.1Å; F158-F208 HydrophobicContact CB-CD1 4.37Å; F158-F208 HydrophobicContact CB-CG 4.32Å; F158-F208 HydrophobicContact CD2-CB 4.29Å; F158-F208 HydrophobicContact CD2-CD2 4.24Å; F158-F208 HydrophobicContact CD2-CG 4.33Å; L159-F208 HydrophobicContact CD2-CE1 3.9Å; L159-F208 HydrophobicContact CD2-CE2 4.46Å; L159-F208 HydrophobicContact CD2-CZ 3.57Å; L159-F208 HydrophobicContact CG-CZ 4.37Å; C174-F208 HydrophobicContact CB-CD1 4.12Å; C174-F208 HydrophobicContact CB-CE1 3.99Å; G178-F208 WeakPolarHBondContact O-CD1 3.48Å; G178-F208 PolarHBondContact O-N 2.76Å; Y180-F208 HydrophobicContact CD1-CB 4.32Å; Y180-F208 HydrophobicContact CD2-CB 4.28Å; Y180-F208 HydrophobicContact CE1-CB 4.43Å; Y180-F208 HydrophobicContact CE2-CB 4.43Å; Y180-F208 HydrophobicContact CG-CB 4.24Å; C206-F208 HydrophobicContact CB-CD1 4.01Å; C206-F208 HydrophobicContact CB-CE1 3.86Å; F208-R210 HydrophobicContact CE2-CG 4.34Å; F208-R210 VanDerWaalsContact CZ-CZ 3.45Å; F208-R210 PolarHBondContact O-N 3.34Å; F208-R210 PolarHBondContact O-NH1 3.01Å; F208-Y221 PolarHBondContact O-OH 3.21Å
209	G	98.6	Very high	96.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	17%	0.173	C	C	.	.			trans	-57	131.5	-173.1	0	0	0	0	0	114.7	E151 Q214 L215 S216	E151-G209 PolarHBondContact N-O 2.77Å; E151-G209 PolarHBondContact OE2-N 2.82Å; G209-Q214 PolarHBondContact O-OE1 3.13Å; G209-Q214 VanDerWaalsContact O-OE1 3.13Å; G209-L215 WeakPolarHBondContact CA-O 3.47Å; G209-S216 WeakPolarHBondContact CA-OG 3.34Å; G209-S216 PolarHBondContact N-OG 3.32Å
210	R	98.5	Very high	97.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-138	148	175.3	-77.1	178.4	-171.8	82	-11.3	112.1	W149 F150 G171 C206 F208 Q214 L215 Y221 N242 L244 M245	W149-R210 WeakPolarHBondContact O-CA 3.13Å; F150-R210 HydrophobicContact CD1-CG 3.69Å; F150-R210 HydrophobicContact CE1-CG 3.9Å; G171-R210 PolarHBondContact O-NH2 3.14Å; C206-R210 VanDerWaalsContact O-CZ 3.23Å; C206-R210 PolarHBondContact O-NH1 3.01Å; C206-R210 PolarHBondContact O-NH2 3.4Å; F208-R210 HydrophobicContact CE2-CG 4.34Å; F208-R210 VanDerWaalsContact CZ-CZ 3.45Å; F208-R210 PolarHBondContact O-N 3.34Å; F208-R210 PolarHBondContact O-NH1 3.01Å; R210-Q214 CarbonylContact O-C 3.54Å; R210-Q214 WeakPolarHBondContact O-CA 3.34Å; R210-L215 PolarHBondContact N-O 3.06Å; R210-L215 PolarHBondContact O-N 3.4Å; R210-Y221 WeakPolarHBondContact CB-OH 3.34Å; R210-Y221 WeakPolarHBondContact CD-OH 3.44Å; R210-Y221 PolarHBondContact NH1-OH 3.3Å; R210-N242 PolarHBondContact NE-OD1 2.98Å; R210-L244 HydrophobicContact CB-CD2 3.6Å; R210-L244 HydrophobicContact CB-CG 4.34Å; R210-M245 HydrophobicContact CB-CG 4.09Å; R210-M245 HydrophobicContact CB-SD 4.11Å; R210-M245 HydrophobicContact CG-CG 4.01Å
211	G	98.5	Very high	97.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-176.6	174.5	0	0	0	0	0	113.8	Y75 W149 I213 Q214	Y75-G211 WeakPolarHBondContact OH-CA 3.45Å; W149-G211 PolarHBondContact O-N 2.87Å; G211-I213 VanDerWaalsContact C-N 3.34Å; G211-I213 PolarHBondContact O-N 3.46Å; G211-Q214 PolarHBondContact O-N 3.25Å; G211-Q214 VanDerWaalsContact O-N 3.16Å; G211-Q214 PolarHBondContact O-NE2 3.45Å
212	P	98.6	Very high	98.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-40.7	-170.9	-29.8	35.3	0	0	0	115.1	Y75 F112 A116 E119 S120 F146 A253 I254 S257	Y75-P212 HydrophobicContact CD1-CG 4.3Å; Y75-P212 HydrophobicContact CE1-CG 3.74Å; F112-P212 HydrophobicContact CZ-CB 4.4Å; A116-P212 WeakPolarHBondContact CA-O 3.49Å; A116-P212 HydrophobicContact CB-CB 4Å; E119-P212 WeakPolarHBondContact CB-O 3.19Å; S120-P212 WeakPolarHBondContact CB-O 3.35Å; S120-P212 WeakPolarHBondContact OG-CA 3.39Å; S120-P212 PolarHBondContact OG-O 2.93Å; F146-P212 HydrophobicContact CD1-CB 3.92Å; F146-P212 HydrophobicContact CD1-CG 3.57Å; F146-P212 HydrophobicContact CE1-CB 3.63Å; F146-P212 HydrophobicContact CE1-CG 3.36Å; F146-P212 HydrophobicContact CZ-CB 4.35Å; F146-P212 HydrophobicContact CZ-CG 4.45Å; P212-A253 VanDerWaalsContact CD-O 3.25Å; P212-A253 WeakPolarHBondContact CD-O 3.25Å; P212-I254 HydrophobicContact CG-CG1 4.07Å; P212-S257 WeakPolarHBondContact CD-OG 3.14Å
213	I	97.8	Very high	98.3	Very high	7 Å²	7	17.2 Å²	17.2	4%	0.036	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	24.8	177.9	76.4	-175.8	0	0	0	113.3	F112 H115 E119 G211 S257 F260 M271 I302	F112-I213 HydrophobicContact CE2-CD1 4.49Å; F112-I213 HydrophobicContact CE2-CG2 4.27Å; H115-I213 HydrophobicContact CB-CG2 3.88Å; E119-I213 HydrophobicContact CG-CB 4.28Å; G211-I213 VanDerWaalsContact C-N 3.34Å; G211-I213 PolarHBondContact O-N 3.46Å; I213-S257 WeakPolarHBondContact CD1-O 3.16Å; I213-S257 PolarHBondContact N-OG 2.77Å; I213-F260 HydrophobicContact CD1-CB 4.08Å; I213-F260 HydrophobicContact CD1-CD1 3.69Å; I213-F260 HydrophobicContact CD1-CG 4.28Å; I213-F260 HydrophobicContact CG1-CD1 4.4Å; I213-M271 HydrophobicContact CD1-CE 4.04Å; I213-I302 HydrophobicContact CB-CD1 4.23Å
214	Q	97.9	Very high	98.3	Very high	18 Å²	18	15.6 Å²	15.6	8%	0.084	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	56.4	167.5	-62.9	-65.6	-61.8	0	0	114.8	E119 E151 G209 R210 G211 S216	E119-Q214 HydrophobicContact CB-CG 4Å; E151-Q214 VanDerWaalsContact CB-OE1 3.29Å; G209-Q214 PolarHBondContact O-OE1 3.13Å; G209-Q214 VanDerWaalsContact O-OE1 3.13Å; R210-Q214 CarbonylContact O-C 3.54Å; R210-Q214 WeakPolarHBondContact O-CA 3.34Å; G211-Q214 PolarHBondContact O-N 3.25Å; G211-Q214 VanDerWaalsContact O-N 3.16Å; G211-Q214 PolarHBondContact O-NE2 3.45Å; Q214-S216 PolarHBondContact O-N 3.12Å; Q214-S216 VanDerWaalsContact O-N 3.13Å; Q214-S216 PolarHBondContact O-OG 3.43Å
215	L	98.6	Very high	98.3	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.016	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-54.4	121.8	175.7	-169.6	74	0	0	0	110.2	G209 R210 N220 Y221 F224 L244 W259 F260	G209-L215 WeakPolarHBondContact CA-O 3.47Å; R210-L215 PolarHBondContact N-O 3.06Å; R210-L215 PolarHBondContact O-N 3.4Å; L215-N220 HydrophobicContact CD1-CB 3.88Å; L215-N220 HydrophobicContact CG-CB 4.28Å; L215-Y221 HydrophobicContact CD2-CD2 4.49Å; L215-Y221 HydrophobicContact CG-CE2 4.37Å; L215-Y221 VanDerWaalsContact O-CE2 3.22Å; L215-Y221 WeakPolarHBondContact O-CE2 3.38Å; L215-Y221 PolarHBondContact O-OH 3.38Å; L215-Y221 VanDerWaalsContact O-OH 3.11Å; L215-F224 HydrophobicContact CD2-CB 4.34Å; L215-F224 HydrophobicContact CD2-CD1 4.04Å; L215-F224 HydrophobicContact CD2-CG 4.48Å; L215-L244 HydrophobicContact CB-CD2 4.11Å; L215-L244 HydrophobicContact CD2-CD1 4.42Å; L215-L244 HydrophobicContact CD2-CD2 3.93Å; L215-W259 HydrophobicContact CD1-CE3 3.96Å; L215-W259 HydrophobicContact CD1-CZ3 3.8Å; L215-F260 HydrophobicContact CD1-CB 4.05Å; L215-F260 HydrophobicContact CD1-CD2 4.02Å; L215-F260 HydrophobicContact CD1-CG 4.42Å
216	S	98.5	Very high	98.3	Very high	21 Å²	21	14.6 Å²	14.6	15%	0.147	7%	0.072	C	C	.	.			trans	-136.6	153.7	-167.2	-67.1	0	0	0	0	111.9	Y207 G209 Q214 N220	Y207-S216 CarbonylContact O-C 3.53Å; Y207-S216 WeakPolarHBondContact O-CA 3.37Å; G209-S216 WeakPolarHBondContact CA-OG 3.34Å; G209-S216 PolarHBondContact N-OG 3.32Å; Q214-S216 PolarHBondContact O-N 3.12Å; Q214-S216 VanDerWaalsContact O-N 3.13Å; Q214-S216 PolarHBondContact O-OG 3.43Å; S216-N220 VanDerWaalsContact O-CB 3.26Å; S216-N220 WeakPolarHBondContact O-CB 3.37Å; S216-N220 PolarHBondContact O-ND2 3.17Å
217	Y	98.4	Very high	98.3	Very high	99 Å²	99	16.9 Å²	16.9	39%	0.388	8%	0.08	S	C	.	.	S	Bend	trans	73.6	141.4	-178.7	-62.1	-90.5	0	0	0	116.8	Y180 V182 Y207 F219 N220 Y221	Y180-Y217 HydrophobicContact CD1-CD2 4.4Å; Y180-Y217 HydrophobicContact CD1-CE2 4.17Å; Y180-Y217 VanDerWaalsContact O-CA 3.3Å; Y180-Y217 WeakPolarHBondContact O-CA 3.48Å; V182-Y217 HydrophobicContact CG2-CD1 4.05Å; V182-Y217 HydrophobicContact CG2-CE1 4.34Å; Y207-Y217 PolarHBondContact O-N 2.89Å; Y217-F219 VanDerWaalsContact C-N 3.25Å; Y217-F219 VanDerWaalsContact CB-CZ 3.48Å; Y217-F219 AromaticContact CD1-CE1 3.97Å; Y217-F219 HydrophobicContact CD1-CE1 3.97Å; Y217-F219 HydrophobicContact CD1-CZ 4.45Å; Y217-F219 HydrophobicContact CD2-CE1 4.45Å; Y217-F219 HydrophobicContact CD2-CZ 4.14Å; Y217-F219 AromaticContact CG-CE1 3.68Å; Y217-F219 HydrophobicContact CG-CE1 3.68Å; Y217-F219 AromaticContact CG-CZ 3.8Å; Y217-F219 HydrophobicContact CG-CZ 3.8Å; Y217-F219 PolarHBondContact O-N 3.36Å; Y217-F219 VanDerWaalsContact O-N 3.15Å; Y217-N220 PolarHBondContact O-N 2.87Å; Y217-Y221 WeakPolarHBondContact O-CD2 3.3Å; Y217-Y221 PolarHBondContact O-N 3.03Å; Y217-Y221 VanDerWaalsContact O-N 3.17Å
218	N	98.4	Very high	98.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-49	-42.4	-179.8	59.1	-52	0	0	0	113.7	Y180 C181 V182 Y191 Y207 N220 Y221 G222 L238	Y180-N218 PolarHBondContact O-N 3.08Å; C181-N218 VanDerWaalsContact SG-CB 3.54Å; C181-N218 PolarHBondContact SG-ND2 3.28Å; V182-N218 PolarHBondContact N-OD1 3.4Å; V182-N218 PolarHBondContact O-ND2 3.29Å; Y191-N218 PolarHBondContact O-ND2 2.89Å; Y207-N218 HydrophobicContact CD1-CB 4.44Å; Y207-N218 HydrophobicContact CD2-CB 3.64Å; Y207-N218 HydrophobicContact CE2-CB 3.72Å; Y207-N218 HydrophobicContact CG-CB 4.03Å; N218-N220 VanDerWaalsContact C-N 3.32Å; N218-N220 PolarHBondContact O-N 3.28Å; N218-Y221 PolarHBondContact O-N 2.64Å; N218-G222 PolarHBondContact O-N 2.6Å; N218-L238 HydrophobicContact CB-CD2 4.24Å; N218-L238 VanDerWaalsContact O-CD2 3.28Å; N218-L238 WeakPolarHBondContact O-CD2 3.38Å
219	F	97.5	Very high	98.2	Very high	43 Å²	43	22.9 Å²	22.9	19%	0.189	10%	0.103	C	C	.	.	H	α-helix	trans	-65.5	-33.2	-179.3	55.5	-98.5	0	0	0	112.9	V182 Y191 Y217 Q223	V182-F219 HydrophobicContact CG2-CD1 4.44Å; V182-F219 HydrophobicContact CG2-CE1 4.07Å; Y191-F219 HydrophobicContact CD2-CB 3.74Å; Y191-F219 HydrophobicContact CE2-CB 4.39Å; Y191-F219 HydrophobicContact CG-CB 4.38Å; Y217-F219 VanDerWaalsContact C-N 3.25Å; Y217-F219 VanDerWaalsContact CB-CZ 3.48Å; Y217-F219 AromaticContact CD1-CE1 3.97Å; Y217-F219 HydrophobicContact CD1-CE1 3.97Å; Y217-F219 HydrophobicContact CD1-CZ 4.45Å; Y217-F219 HydrophobicContact CD2-CE1 4.45Å; Y217-F219 HydrophobicContact CD2-CZ 4.14Å; Y217-F219 AromaticContact CG-CE1 3.68Å; Y217-F219 HydrophobicContact CG-CE1 3.68Å; Y217-F219 AromaticContact CG-CZ 3.8Å; Y217-F219 HydrophobicContact CG-CZ 3.8Å; Y217-F219 PolarHBondContact O-N 3.36Å; Y217-F219 VanDerWaalsContact O-N 3.15Å; F219-Q223 VanDerWaalsContact O-CB 3.28Å; F219-Q223 WeakPolarHBondContact O-CB 3.13Å; F219-Q223 WeakPolarHBondContact O-CG 3.48Å; F219-Q223 PolarHBondContact O-N 3.06Å; F219-Q223 PolarHBondContact O-NE2 2.98Å
220	N	98.2	Very high	98.1	Very high	9 Å²	9	26 Å²	26	5%	0.048	12%	0.12	C	C	.	.	H	α-helix	trans	-75.3	-40	175.5	-72.9	-31.7	0	0	0	111.5	L215 S216 Y217 N218 G222 F224 W259	L215-N220 HydrophobicContact CD1-CB 3.88Å; L215-N220 HydrophobicContact CG-CB 4.28Å; S216-N220 VanDerWaalsContact O-CB 3.26Å; S216-N220 WeakPolarHBondContact O-CB 3.37Å; S216-N220 PolarHBondContact O-ND2 3.17Å; Y217-N220 PolarHBondContact O-N 2.87Å; N218-N220 VanDerWaalsContact C-N 3.32Å; N218-N220 PolarHBondContact O-N 3.28Å; N220-G222 VanDerWaalsContact C-N 3.31Å; N220-G222 PolarHBondContact O-N 3.11Å; N220-F224 VanDerWaalsContact O-CB 3.29Å; N220-F224 WeakPolarHBondContact O-CB 3.07Å; N220-F224 PolarHBondContact O-N 3.48Å; N220-W259 HydrophobicContact CB-CZ3 4.37Å
221	Y	98.8	Very high	98	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.6	-42.4	173.3	-81.3	-109.7	0	0	0	111.4	Y207 F208 R210 L215 Y217 N218 G225 L237 P241 L244	Y207-Y221 HydrophobicContact CD1-CD1 4.15Å; Y207-Y221 HydrophobicContact CD1-CD2 4.13Å; Y207-Y221 AromaticContact CD1-CG 3.88Å; Y207-Y221 HydrophobicContact CD1-CG 3.88Å; F208-Y221 PolarHBondContact O-OH 3.21Å; R210-Y221 WeakPolarHBondContact CB-OH 3.34Å; R210-Y221 WeakPolarHBondContact CD-OH 3.44Å; R210-Y221 PolarHBondContact NH1-OH 3.3Å; L215-Y221 HydrophobicContact CD2-CD2 4.49Å; L215-Y221 HydrophobicContact CG-CE2 4.37Å; L215-Y221 VanDerWaalsContact O-CE2 3.22Å; L215-Y221 WeakPolarHBondContact O-CE2 3.38Å; L215-Y221 PolarHBondContact O-OH 3.38Å; L215-Y221 VanDerWaalsContact O-OH 3.11Å; Y217-Y221 WeakPolarHBondContact O-CD2 3.3Å; Y217-Y221 PolarHBondContact O-N 3.03Å; Y217-Y221 VanDerWaalsContact O-N 3.17Å; N218-Y221 PolarHBondContact O-N 2.64Å; Y221-G225 PolarHBondContact O-N 3.39Å; Y221-L237 HydrophobicContact CD1-CB 4.24Å; Y221-P241 HydrophobicContact CD1-CB 3.69Å; Y221-P241 HydrophobicContact CE1-CB 3.58Å; Y221-P241 WeakPolarHBondContact CE1-O 2.97Å; Y221-L244 HydrophobicContact CE1-CB 4.35Å; Y221-L244 HydrophobicContact CE1-CD2 3.74Å
222	G	98.4	Very high	98	Very high	8 Å²	8	33.2 Å²	33.2	8%	0.082	16%	0.158	C	C	.	.	H	α-helix	trans	-67.7	-47.2	178.1	0	0	0	0	0	113.2	Y191 N218 N220 F224 G225 E226	Y191-G222 VanDerWaalsContact CD1-CA 3.46Å; Y191-G222 VanDerWaalsContact CE1-C 3.49Å; N218-G222 PolarHBondContact O-N 2.6Å; N220-G222 VanDerWaalsContact C-N 3.31Å; N220-G222 PolarHBondContact O-N 3.11Å; G222-F224 PolarHBondContact O-N 3.16Å; G222-G225 PolarHBondContact O-N 2.99Å; G222-E226 PolarHBondContact O-N 3.14Å
223	Q	97.8	Very high	98	Very high	52 Å²	52	33.4 Å²	33.4	24%	0.243	16%	0.159	C	C	.	.	H	α-helix	trans	-61.8	-43	176.1	-75.9	172	90.4	0	0	111.9	Y191 F219 E226 W227 W259	Y191-Q223 HydrophobicContact CE1-CG 4.09Å; Y191-Q223 HydrophobicContact CE2-CG 3.78Å; Y191-Q223 VanDerWaalsContact CZ-CG 3.42Å; Y191-Q223 WeakPolarHBondContact OH-CG 3.33Å; F219-Q223 VanDerWaalsContact O-CB 3.28Å; F219-Q223 WeakPolarHBondContact O-CB 3.13Å; F219-Q223 WeakPolarHBondContact O-CG 3.48Å; F219-Q223 PolarHBondContact O-N 3.06Å; F219-Q223 PolarHBondContact O-NE2 2.98Å; Q223-E226 PolarHBondContact O-N 2.85Å; Q223-W227 PolarHBondContact O-N 2.94Å; Q223-W259 HydrophobicContact CB-CH2 3.66Å; Q223-W259 HydrophobicContact CB-CZ2 3.63Å
224	F	98.7	Very high	98	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.9	-43.2	174.9	-179.7	-134.8	0	0	0	111.6	L215 N220 G222 E226 W227 L228 L237 L244 L252 M255 W259	L215-F224 HydrophobicContact CD2-CB 4.34Å; L215-F224 HydrophobicContact CD2-CD1 4.04Å; L215-F224 HydrophobicContact CD2-CG 4.48Å; N220-F224 VanDerWaalsContact O-CB 3.29Å; N220-F224 WeakPolarHBondContact O-CB 3.07Å; N220-F224 PolarHBondContact O-N 3.48Å; G222-F224 PolarHBondContact O-N 3.16Å; F224-E226 VanDerWaalsContact C-N 3.28Å; F224-E226 PolarHBondContact O-N 2.87Å; F224-W227 AromaticContact CD2-CE3 3.93Å; F224-W227 HydrophobicContact CD2-CE3 3.93Å; F224-W227 HydrophobicContact CD2-CZ3 4.49Å; F224-W227 AromaticContact CE2-CE3 3.67Å; F224-W227 HydrophobicContact CE2-CE3 3.67Å; F224-W227 AromaticContact CE2-CZ3 3.78Å; F224-W227 HydrophobicContact CE2-CZ3 3.78Å; F224-W227 PolarHBondContact O-N 3.45Å; F224-L228 HydrophobicContact CD1-CD1 4.04Å; F224-L228 HydrophobicContact CD2-CD1 4.41Å; F224-L228 HydrophobicContact CD2-CG 4.09Å; F224-L228 HydrophobicContact CE1-CD1 3.68Å; F224-L228 HydrophobicContact CE1-CG 4.24Å; F224-L228 HydrophobicContact CE2-CD1 4.1Å; F224-L228 HydrophobicContact CE2-CD2 3.83Å; F224-L228 HydrophobicContact CE2-CG 3.72Å; F224-L228 HydrophobicContact CG-CD1 4.38Å; F224-L228 HydrophobicContact CZ-CD1 3.71Å; F224-L228 HydrophobicContact CZ-CD2 3.76Å; F224-L228 HydrophobicContact CZ-CG 3.8Å; F224-L228 WeakPolarHBondContact O-CB 2.9Å; F224-L228 VanDerWaalsContact O-CG 3.32Å; F224-L228 WeakPolarHBondContact O-CG 3.43Å; F224-L228 PolarHBondContact O-N 3.2Å; F224-L237 HydrophobicContact CD1-CD1 3.49Å; F224-L237 VanDerWaalsContact CD1-CD1 3.49Å; F224-L237 HydrophobicContact CE1-CD1 4.01Å; F224-L237 HydrophobicContact CG-CD1 4.35Å; F224-L244 HydrophobicContact CD1-CD1 4.19Å; F224-L244 HydrophobicContact CE1-CD1 3.75Å; F224-L252 HydrophobicContact CZ-CD2 4.35Å; F224-M255 HydrophobicContact CE2-CG 4.19Å; F224-M255 HydrophobicContact CZ-CB 4.14Å; F224-M255 HydrophobicContact CZ-CG 3.94Å; F224-M255 HydrophobicContact CZ-SD 4.31Å; F224-W259 HydrophobicContact CB-CD2 3.81Å; F224-W259 HydrophobicContact CB-CE3 3.79Å; F224-W259 HydrophobicContact CB-CG 4.4Å; F224-W259 HydrophobicContact CB-CH2 4.35Å; F224-W259 HydrophobicContact CB-CZ2 4.36Å; F224-W259 HydrophobicContact CB-CZ3 4.08Å; F224-W259 HydrophobicContact CD2-CB 3.55Å; F224-W259 AromaticContact CD2-CD1 3.71Å; F224-W259 AromaticContact CD2-CD2 3.67Å; F224-W259 HydrophobicContact CD2-CD2 3.67Å; F224-W259 HydrophobicContact CD2-CE3 4.25Å; F224-W259 AromaticContact CD2-CG 3.31Å; F224-W259 HydrophobicContact CD2-CG 3.31Å; F224-W259 HydrophobicContact CE2-CB 3.64Å; F224-W259 AromaticContact CE2-CG 3.9Å; F224-W259 HydrophobicContact CE2-CG 3.9Å; F224-W259 HydrophobicContact CG-CB 4.44Å; F224-W259 HydrophobicContact CG-CD2 4.04Å; F224-W259 HydrophobicContact CG-CE3 4.2Å; F224-W259 HydrophobicContact CG-CG 4.14Å
225	G	98.5	Very high	98	Very high	9 Å²	9	40.3 Å²	40.3	9%	0.093	20%	0.198	C	C	.	.	H	α-helix	trans	-58.4	-38.6	174.9	0	0	0	0	0	113	Y221 G222 L228 R229	Y221-G225 PolarHBondContact O-N 3.39Å; G222-G225 PolarHBondContact O-N 2.99Å; G225-L228 WeakPolarHBondContact O-CB 3.31Å; G225-L228 PolarHBondContact O-N 3.21Å; G225-R229 PolarHBondContact O-N 3.12Å
226	E	97.1	Very high	98	Very high	38 Å²	38	43.8 Å²	43.8	18%	0.178	22%	0.216	C	C	.	.	H	α-helix	trans	-67.9	-44.7	174.1	-175.1	176.7	-169.4	0	0	112.5	G222 Q223 F224 L228 R229 N230 R407	G222-E226 PolarHBondContact O-N 3.14Å; Q223-E226 PolarHBondContact O-N 2.85Å; F224-E226 VanDerWaalsContact C-N 3.28Å; F224-E226 PolarHBondContact O-N 2.87Å; E226-L228 VanDerWaalsContact C-N 3.26Å; E226-L228 PolarHBondContact O-N 3.3Å; E226-R229 WeakPolarHBondContact O-CB 3.07Å; E226-R229 PolarHBondContact O-N 3.28Å; E226-R229 IonicContact OE1-NH2 2.72Å; E226-N230 PolarHBondContact O-N 2.88Å; E226-R407 VanDerWaalsContact CD-CZ 3.41Å; E226-R407 VanDerWaalsContact CD-NH2 3.3Å; E226-R407 IonicContact OE1-CZ 3.64Å; E226-R407 IonicContact OE1-NE 3.33Å; E226-R407 IonicContact OE1-NH1 3.27Å; E226-R407 PolarHBondContact OE1-NH1 2.91Å; E226-R407 IonicContact OE1-NH2 2.65Å; E226-R407 PolarHBondContact OE1-NH2 3.44Å; E226-R407 IonicContact OE2-CZ 2.66Å; E226-R407 IonicContact OE2-NH1 3.9Å; E226-R407 PolarHBondContact OE2-NH1 3.5Å; E226-R407 IonicContact OE2-NH2 3.61Å; E226-R407 PolarHBondContact OE2-NH2 3.11Å
227	W	97.8	Very high	98	Very high	47 Å²	47	43 Å²	43	18%	0.178	21%	0.21	C	C	.	.	H	α-helix	trans	-59.5	-40.3	175.3	177	94.8	0	0	0	111.4	Y86 F87 Q223 F224 N230 N231 M255 W259	Y86-W227 HydrophobicContact CD1-CH2 4.25Å; Y86-W227 HydrophobicContact CG-CH2 4.43Å; F87-W227 HydrophobicContact CD1-CZ2 4.11Å; F87-W227 HydrophobicContact CD2-CH2 4.34Å; F87-W227 AromaticContact CE1-CE2 3.92Å; F87-W227 AromaticContact CE1-CH2 3.78Å; F87-W227 HydrophobicContact CE1-CH2 3.78Å; F87-W227 AromaticContact CE1-CZ2 3.37Å; F87-W227 HydrophobicContact CE1-CZ2 3.37Å; F87-W227 AromaticContact CE2-CH2 3.49Å; F87-W227 HydrophobicContact CE2-CH2 3.49Å; F87-W227 VanDerWaalsContact CE2-CH2 3.49Å; F87-W227 AromaticContact CE2-CZ2 3.96Å; F87-W227 HydrophobicContact CE2-CZ2 3.96Å; F87-W227 HydrophobicContact CE2-CZ3 4.24Å; F87-W227 AromaticContact CZ-CE2 3.97Å; F87-W227 HydrophobicContact CZ-CE3 4.45Å; F87-W227 AromaticContact CZ-CH2 3.13Å; F87-W227 HydrophobicContact CZ-CH2 3.13Å; F87-W227 AromaticContact CZ-CZ2 3.27Å; F87-W227 HydrophobicContact CZ-CZ2 3.27Å; F87-W227 AromaticContact CZ-CZ3 3.81Å; F87-W227 HydrophobicContact CZ-CZ3 3.81Å; Q223-W227 PolarHBondContact O-N 2.94Å; F224-W227 AromaticContact CD2-CE3 3.93Å; F224-W227 HydrophobicContact CD2-CE3 3.93Å; F224-W227 HydrophobicContact CD2-CZ3 4.49Å; F224-W227 AromaticContact CE2-CE3 3.67Å; F224-W227 HydrophobicContact CE2-CE3 3.67Å; F224-W227 AromaticContact CE2-CZ3 3.78Å; F224-W227 HydrophobicContact CE2-CZ3 3.78Å; F224-W227 PolarHBondContact O-N 3.45Å; W227-N230 PolarHBondContact O-N 2.9Å; W227-N231 PolarHBondContact NE1-ND2 3.32Å; W227-N231 WeakPolarHBondContact O-CB 3.19Å; W227-N231 PolarHBondContact O-N 3.29Å; W227-N231 PolarHBondContact O-ND2 3.06Å; W227-M255 HydrophobicContact CH2-SD 4.42Å; W227-M255 HydrophobicContact CZ3-CG 4.26Å; W227-M255 HydrophobicContact CZ3-SD 3.96Å; W227-W259 AromaticContact CD1-NE1 3.96Å; W227-W259 AromaticContact CD2-CD1 3.69Å; W227-W259 AromaticContact CG-CD1 3.63Å; W227-W259 AromaticContact CG-NE1 3.63Å
228	L	98.7	Very high	98	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-47.1	174	-76.6	173.9	0	0	0	111.3	F224 G225 E226 N230 N231 N232 V233 V235 L237 L252 M255	F224-L228 HydrophobicContact CD1-CD1 4.04Å; F224-L228 HydrophobicContact CD2-CD1 4.41Å; F224-L228 HydrophobicContact CD2-CG 4.09Å; F224-L228 HydrophobicContact CE1-CD1 3.68Å; F224-L228 HydrophobicContact CE1-CG 4.24Å; F224-L228 HydrophobicContact CE2-CD1 4.1Å; F224-L228 HydrophobicContact CE2-CD2 3.83Å; F224-L228 HydrophobicContact CE2-CG 3.72Å; F224-L228 HydrophobicContact CG-CD1 4.38Å; F224-L228 HydrophobicContact CZ-CD1 3.71Å; F224-L228 HydrophobicContact CZ-CD2 3.76Å; F224-L228 HydrophobicContact CZ-CG 3.8Å; F224-L228 WeakPolarHBondContact O-CB 2.9Å; F224-L228 VanDerWaalsContact O-CG 3.32Å; F224-L228 WeakPolarHBondContact O-CG 3.43Å; F224-L228 PolarHBondContact O-N 3.2Å; G225-L228 WeakPolarHBondContact O-CB 3.31Å; G225-L228 PolarHBondContact O-N 3.21Å; E226-L228 VanDerWaalsContact C-N 3.26Å; E226-L228 PolarHBondContact O-N 3.3Å; L228-N230 VanDerWaalsContact C-N 3.31Å; L228-N230 PolarHBondContact O-N 3.06Å; L228-N231 CarbonylContact O-C 3.46Å; L228-N231 VanDerWaalsContact O-C 3.23Å; L228-N231 WeakPolarHBondContact O-CA 3.39Å; L228-N231 PolarHBondContact O-N 3.44Å; L228-N232 PolarHBondContact O-N 3.01Å; L228-V233 CarbonylContact C-O 3.46Å; L228-V233 HydrophobicContact CB-CB 4Å; L228-V233 HydrophobicContact CB-CG1 4.34Å; L228-V233 HydrophobicContact CD2-CB 3.92Å; L228-V233 HydrophobicContact CD2-CG1 3.98Å; L228-V233 HydrophobicContact CD2-CG2 4.27Å; L228-V233 PolarHBondContact O-N 3.47Å; L228-V235 HydrophobicContact CB-CG2 4.45Å; L228-V235 HydrophobicContact CD1-CG2 3.54Å; L228-L237 HydrophobicContact CD1-CD1 3.94Å; L228-L252 HydrophobicContact CD1-CD1 4.06Å; L228-L252 HydrophobicContact CD1-CD2 3.81Å; L228-L252 HydrophobicContact CD2-CD2 3.71Å; L228-L252 HydrophobicContact CG-CD2 4.45Å; L228-M255 HydrophobicContact CD2-SD 3.6Å; L228-M255 VanDerWaalsContact CD2-SD 3.6Å
229	R	97.9	Very high	98	Very high	126 Å²	126	44.1 Å²	44.1	48%	0.475	22%	0.218	S	C	.	.	H	α-helix	trans	-58.5	-43.1	176.5	-173.8	-172.4	55.5	58.9	5.2	111.6	G225 E226 N231 N232 V233	G225-R229 PolarHBondContact O-N 3.12Å; E226-R229 WeakPolarHBondContact O-CB 3.07Å; E226-R229 PolarHBondContact O-N 3.28Å; E226-R229 IonicContact OE1-NH2 2.72Å; R229-N231 PolarHBondContact O-N 2.88Å; R229-N232 PolarHBondContact O-N 3.05Å; R229-V233 PolarHBondContact N-O 3.13Å
230	N	95.8	Very high	98.1	Very high	67 Å²	67	47.8 Å²	47.8	36%	0.358	23%	0.232	S	C	.	.	H	α-helix	trans	-67.3	-16.5	175.3	-67.3	-19.5	0	0	0	112.9	E226 W227 L228	E226-N230 PolarHBondContact O-N 2.88Å; W227-N230 PolarHBondContact O-N 2.9Å; L228-N230 VanDerWaalsContact C-N 3.31Å; L228-N230 PolarHBondContact O-N 3.06Å
231	N	97.2	Very high	98.1	Very high	32 Å²	32	47.6 Å²	47.6	17%	0.171	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	22.8	176	-78.9	-78.8	0	0	0	113.6	N40 R42 Y86 W227 L228 R229 V233	N40-N231 PolarHBondContact ND2-O 3.09Å; R42-N231 PolarHBondContact NH2-O 3.02Å; R42-N231 PolarHBondContact NH2-OD1 3.21Å; Y86-N231 HydrophobicContact CD1-CB 4.23Å; Y86-N231 HydrophobicContact CE1-CB 4.49Å; W227-N231 PolarHBondContact NE1-ND2 3.32Å; W227-N231 WeakPolarHBondContact O-CB 3.19Å; W227-N231 PolarHBondContact O-N 3.29Å; W227-N231 PolarHBondContact O-ND2 3.06Å; L228-N231 CarbonylContact O-C 3.46Å; L228-N231 VanDerWaalsContact O-C 3.23Å; L228-N231 WeakPolarHBondContact O-CA 3.39Å; L228-N231 PolarHBondContact O-N 3.44Å; R229-N231 PolarHBondContact O-N 2.88Å; N231-V233 VanDerWaalsContact C-N 3.31Å; N231-V233 PolarHBondContact O-N 3.07Å
232	N	98	Very high	98.1	Very high	118 Å²	118	47.7 Å²	47.7	63%	0.631	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	34.8	178.2	-56.2	-39.1	0	0	0	113.8	N40 L228 R229	N40-N232 PolarHBondContact ND2-O 3.14Å; N40-N232 PolarHBondContact OD1-O 3.2Å; L228-N232 PolarHBondContact O-N 3.01Å; R229-N232 PolarHBondContact O-N 3.05Å
233	V	98.5	Very high	98.1	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.03	24%	0.24	C	C	.	.			trans	-119.2	103	171.5	-178.1	0	0	0	0	108.2	Y86 L228 R229 N231 V235 P250 L252	Y86-V233 HydrophobicContact CE1-CG2 3.79Å; L228-V233 CarbonylContact C-O 3.46Å; L228-V233 HydrophobicContact CB-CB 4Å; L228-V233 HydrophobicContact CB-CG1 4.34Å; L228-V233 HydrophobicContact CD2-CB 3.92Å; L228-V233 HydrophobicContact CD2-CG1 3.98Å; L228-V233 HydrophobicContact CD2-CG2 4.27Å; L228-V233 PolarHBondContact O-N 3.47Å; R229-V233 PolarHBondContact N-O 3.13Å; N231-V233 VanDerWaalsContact C-N 3.31Å; N231-V233 PolarHBondContact O-N 3.07Å; V233-V235 HydrophobicContact CG1-CG1 4.43Å; V233-V235 PolarHBondContact O-N 3.16Å; V233-P250 HydrophobicContact CG1-CG 4.04Å; V233-P250 HydrophobicContact CG2-CG 3.6Å; V233-L252 HydrophobicContact CG1-CD2 4.4Å
234	N	97.8	Very high	98.1	Very high	147 Å²	147	47.3 Å²	47.3	79%	0.786	23%	0.229	S	C	*	.			trans	-90.3	103.8	-176.3	-168.2	27.6	0	0	0	111
235	V	98.2	Very high	98.1	Very high	23 Å²	23	47.5 Å²	47.5	14%	0.139	23%	0.23	C	C	.	.			trans	-142.4	151.8	174.6	-67.6	0	0	0	0	109.9	L228 V233 L237 L243 K247 L252	L228-V235 HydrophobicContact CB-CG2 4.45Å; L228-V235 HydrophobicContact CD1-CG2 3.54Å; V233-V235 HydrophobicContact CG1-CG1 4.43Å; V233-V235 PolarHBondContact O-N 3.16Å; V235-L237 HydrophobicContact CB-CD2 4.35Å; V235-L237 HydrophobicContact CG2-CD2 3.95Å; V235-L237 HydrophobicContact CG2-CG 3.91Å; V235-L243 HydrophobicContact CB-CD1 4.12Å; V235-L243 HydrophobicContact CG1-CD1 4.28Å; V235-K247 HydrophobicContact CG1-CD 3.63Å; V235-L252 HydrophobicContact CG1-CD1 4.3Å; V235-L252 HydrophobicContact CG2-CD1 4.13Å
236	D	98.2	Very high	98.1	Very high	76 Å²	76	49.3 Å²	49.3	41%	0.406	24%	0.239	S	C	.	.			trans	-110	88.2	173.7	-174.2	-13	0	0	0	109.3	L238 K239 Y240	D236-L238 VanDerWaalsContact C-N 3.27Å; D236-L238 PolarHBondContact O-N 3.43Å; D236-L238 PolarHBondContact OD1-N 3.14Å; D236-K239 HydrophobicContact CB-CB 4.15Å; D236-K239 PolarHBondContact O-N 2.94Å; D236-K239 WeakPolarHBondContact OD1-CB 3.27Å; D236-K239 PolarHBondContact OD1-N 2.85Å; D236-K239 WeakPolarHBondContact OD2-CB 3.26Å; D236-Y240 HydrophobicContact CB-CD2 4.48Å; D236-Y240 PolarHBondContact O-N 3.12Å
237	L	98.7	Very high	98.1	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.016	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-16.1	-179.4	-62.4	-172.2	0	0	0	113.1	Y221 F224 L228 V235 P241 L243 L252	Y221-L237 HydrophobicContact CD1-CB 4.24Å; F224-L237 HydrophobicContact CD1-CD1 3.49Å; F224-L237 VanDerWaalsContact CD1-CD1 3.49Å; F224-L237 HydrophobicContact CE1-CD1 4.01Å; F224-L237 HydrophobicContact CG-CD1 4.35Å; L228-L237 HydrophobicContact CD1-CD1 3.94Å; V235-L237 HydrophobicContact CB-CD2 4.35Å; V235-L237 HydrophobicContact CG2-CD2 3.95Å; V235-L237 HydrophobicContact CG2-CG 3.91Å; L237-P241 WeakPolarHBondContact O-CA 3.42Å; L237-P241 WeakPolarHBondContact O-CB 3.25Å; L237-L243 HydrophobicContact CD2-CB 3.73Å; L237-L252 HydrophobicContact CD2-CD1 4.14Å
238	L	98.5	Very high	98.1	Very high	28 Å²	28	48.5 Å²	48.5	15%	0.147	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-42	173	-69.3	173.9	0	0	0	110.3	Y191 Y207 N218 D236	Y191-L238 HydrophobicContact CD1-CD1 4.4Å; Y207-L238 HydrophobicContact CE1-CD2 4.3Å; Y207-L238 WeakPolarHBondContact CE1-O 3.21Å; Y207-L238 PolarHBondContact OH-O 3.27Å; N218-L238 HydrophobicContact CB-CD2 4.24Å; N218-L238 VanDerWaalsContact O-CD2 3.28Å; N218-L238 WeakPolarHBondContact O-CD2 3.38Å; D236-L238 VanDerWaalsContact C-N 3.27Å; D236-L238 PolarHBondContact O-N 3.43Å; D236-L238 PolarHBondContact OD1-N 3.14Å
239	K	98.3	Very high	98.1	Very high	95 Å²	95	51.8 Å²	51.8	41%	0.413	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-39.7	177.1	-169.7	173.3	-177.6	177.9	0	112.7	N194 D236	N194-K239 PolarHBondContact ND2-O 3.37Å; D236-K239 HydrophobicContact CB-CB 4.15Å; D236-K239 PolarHBondContact O-N 2.94Å; D236-K239 WeakPolarHBondContact OD1-CB 3.27Å; D236-K239 PolarHBondContact OD1-N 2.85Å; D236-K239 WeakPolarHBondContact OD2-CB 3.26Å
240	Y	98.4	Very high	98.1	Very high	121 Å²	121	45.9 Å²	45.9	48%	0.475	23%	0.234	S	C	.	.			trans	-128.6	70.4	-176	-52	-66.6	0	0	0	111	D236 N242 L243	D236-Y240 HydrophobicContact CB-CD2 4.48Å; D236-Y240 PolarHBondContact O-N 3.12Å; Y240-N242 PolarHBondContact O-N 2.96Å; Y240-N242 VanDerWaalsContact O-N 3.13Å; Y240-L243 HydrophobicContact CD2-CD1 4.44Å; Y240-L243 WeakPolarHBondContact O-CB 3.46Å; Y240-L243 WeakPolarHBondContact O-CG 3.18Å; Y240-L243 PolarHBondContact O-N 3.14Å; Y240-L243 VanDerWaalsContact O-N 3.07Å
241	P	98.7	Very high	98.2	Very high	4 Å²	4	42.7 Å²	42.7	3%	0.026	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.2	-174.5	21	-32	0	0	0	113.5	K204 C206 Y207 Y221 L237 L243 L244	K204-P241 WeakPolarHBondContact O-CG 3.4Å; C206-P241 HydrophobicContact CB-CG 4.44Å; C206-P241 WeakPolarHBondContact O-CB 3.45Å; C206-P241 WeakPolarHBondContact O-CG 3.37Å; Y207-P241 HydrophobicContact CD1-CB 3.91Å; Y207-P241 HydrophobicContact CD1-CG 4.32Å; Y207-P241 HydrophobicContact CE1-CB 4.05Å; Y207-P241 HydrophobicContact CE1-CG 4.16Å; Y221-P241 HydrophobicContact CD1-CB 3.69Å; Y221-P241 HydrophobicContact CE1-CB 3.58Å; Y221-P241 WeakPolarHBondContact CE1-O 2.97Å; L237-P241 WeakPolarHBondContact O-CA 3.42Å; L237-P241 WeakPolarHBondContact O-CB 3.25Å; P241-L243 PolarHBondContact O-N 3.36Å; P241-L244 VanDerWaalsContact O-CB 3.26Å; P241-L244 WeakPolarHBondContact O-CB 3.44Å; P241-L244 PolarHBondContact O-N 3.37Å; P241-L244 VanDerWaalsContact O-N 3.16Å
242	N	98.6	Very high	98.3	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-8.4	-179.1	-158.3	44.2	0	0	0	114.7	P168 I169 G171 D172 R210 Y240 L244 M245 T246	P168-N242 PolarHBondContact O-ND2 3.47Å; P168-N242 PolarHBondContact O-OD1 3.42Å; I169-N242 PolarHBondContact O-ND2 3.06Å; G171-N242 WeakPolarHBondContact CA-OD1 3.21Å; D172-N242 PolarHBondContact N-ND2 3.43Å; D172-N242 WeakPolarHBondContact OD1-CB 3.38Å; D172-N242 PolarHBondContact OD1-ND2 2.98Å; R210-N242 PolarHBondContact NE-OD1 2.98Å; Y240-N242 PolarHBondContact O-N 2.96Å; Y240-N242 VanDerWaalsContact O-N 3.13Å; N242-L244 PolarHBondContact O-N 2.82Å; N242-L244 VanDerWaalsContact O-N 3.12Å; N242-M245 PolarHBondContact O-N 2.91Å; N242-T246 PolarHBondContact O-N 2.98Å; N242-T246 VanDerWaalsContact O-N 3.14Å; N242-T246 PolarHBondContact O-OG1 3.13Å; N242-T246 VanDerWaalsContact O-OG1 3.09Å
243	L	98.7	Very high	98.3	Very high	50 Å²	50	35.8 Å²	35.8	26%	0.262	18%	0.181	S	C	.	.	H	α-helix	trans	-55.2	-26.8	166.8	-73.9	176.7	0	0	0	111.9	V235 L237 Y240 P241 M245 T246 K247	V235-L243 HydrophobicContact CB-CD1 4.12Å; V235-L243 HydrophobicContact CG1-CD1 4.28Å; L237-L243 HydrophobicContact CD2-CB 3.73Å; Y240-L243 HydrophobicContact CD2-CD1 4.44Å; Y240-L243 WeakPolarHBondContact O-CB 3.46Å; Y240-L243 WeakPolarHBondContact O-CG 3.18Å; Y240-L243 PolarHBondContact O-N 3.14Å; Y240-L243 VanDerWaalsContact O-N 3.07Å; P241-L243 PolarHBondContact O-N 3.36Å; L243-M245 PolarHBondContact O-N 3.31Å; L243-T246 WeakPolarHBondContact CA-OG1 3.48Å; L243-T246 PolarHBondContact O-N 3.11Å; L243-K247 VanDerWaalsContact O-CB 3.23Å; L243-K247 WeakPolarHBondContact O-CB 3.17Å; L243-K247 PolarHBondContact O-N 2.64Å
244	L	98.8	Very high	98.3	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-54.4	-36.9	173	-175.4	61.7	0	0	0	112.3	R210 L215 Y221 F224 P241 N242 L252 A253	R210-L244 HydrophobicContact CB-CD2 3.6Å; R210-L244 HydrophobicContact CB-CG 4.34Å; L215-L244 HydrophobicContact CB-CD2 4.11Å; L215-L244 HydrophobicContact CD2-CD1 4.42Å; L215-L244 HydrophobicContact CD2-CD2 3.93Å; Y221-L244 HydrophobicContact CE1-CB 4.35Å; Y221-L244 HydrophobicContact CE1-CD2 3.74Å; F224-L244 HydrophobicContact CD1-CD1 4.19Å; F224-L244 HydrophobicContact CE1-CD1 3.75Å; P241-L244 VanDerWaalsContact O-CB 3.26Å; P241-L244 WeakPolarHBondContact O-CB 3.44Å; P241-L244 PolarHBondContact O-N 3.37Å; P241-L244 VanDerWaalsContact O-N 3.16Å; N242-L244 PolarHBondContact O-N 2.82Å; N242-L244 VanDerWaalsContact O-N 3.12Å; L244-L252 HydrophobicContact CD1-CB 4.13Å; L244-L252 WeakPolarHBondContact CD1-O 3.45Å; L244-L252 CarbonylContact O-C 3.4Å; L244-L252 VanDerWaalsContact O-C 3.27Å; L244-A253 WeakPolarHBondContact O-CA 3.47Å; L244-A253 WeakPolarHBondContact O-CB 3.39Å; L244-A253 PolarHBondContact O-N 3.09Å
245	M	98.3	Very high	98.4	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.025	14%	0.142	C	C	.	.	H	α-helix	trans	-98.5	-24.3	-179.5	-67.5	-54.5	-48.9	0	0	114.2	P74 Y75 W149 F150 P168 R210 N242 L243 A253	P74-M245 HydrophobicContact CB-CE 3.82Å; P74-M245 HydrophobicContact CG-CE 3.77Å; Y75-M245 HydrophobicContact CE1-CE 4.4Å; W149-M245 HydrophobicContact CB-CE 3.76Å; W149-M245 HydrophobicContact CG-CE 3.74Å; F150-M245 HydrophobicContact CE1-CB 4.44Å; F150-M245 HydrophobicContact CE1-CG 3.83Å; F150-M245 HydrophobicContact CZ-CB 4.47Å; F150-M245 HydrophobicContact CZ-CG 4.26Å; P168-M245 HydrophobicContact CB-CB 4.28Å; R210-M245 HydrophobicContact CB-CG 4.09Å; R210-M245 HydrophobicContact CB-SD 4.11Å; R210-M245 HydrophobicContact CG-CG 4.01Å; N242-M245 PolarHBondContact O-N 2.91Å; L243-M245 PolarHBondContact O-N 3.31Å; M245-A253 HydrophobicContact CE-CB 3.76Å; M245-A253 HydrophobicContact SD-CB 3.76Å
246	T	97.6	Very high	98.4	Very high	47 Å²	47	27.4 Å²	27.4	29%	0.288	14%	0.135	S	C	.	.	H	α-helix	trans	-101.2	-20.5	-170.6	57.1	0	0	0	0	114.5	P168 I169 N242 L243	P168-T246 HydrophobicContact CB-CG2 4.35Å; P168-T246 WeakPolarHBondContact O-CG2 3.33Å; I169-T246 HydrophobicContact CD1-CG2 3.89Å; N242-T246 PolarHBondContact O-N 2.98Å; N242-T246 VanDerWaalsContact O-N 3.14Å; N242-T246 PolarHBondContact O-OG1 3.13Å; N242-T246 VanDerWaalsContact O-OG1 3.09Å; L243-T246 WeakPolarHBondContact CA-OG1 3.48Å; L243-T246 PolarHBondContact O-N 3.11Å
247	K	98	Very high	98.5	Very high	41 Å²	41	23.9 Å²	23.9	18%	0.178	12%	0.116	C	C	.	.			trans	-75.5	135.2	180	-172.2	172.5	171.5	60.8	0	111.7	V235 L243 D249 P250 P251 L252	V235-K247 HydrophobicContact CG1-CD 3.63Å; L243-K247 VanDerWaalsContact O-CB 3.23Å; L243-K247 WeakPolarHBondContact O-CB 3.17Å; L243-K247 PolarHBondContact O-N 2.64Å; K247-D249 WeakPolarHBondContact CE-O 3.48Å; K247-D249 PolarHBondContact NZ-O 2.9Å; K247-D249 IonicContact NZ-OD1 2.69Å; K247-D249 PolarHBondContact NZ-OD1 2.98Å; K247-D249 IonicContact NZ-OD2 3.36Å; K247-P250 WeakPolarHBondContact CG-O 3.5Å; K247-P251 WeakPolarHBondContact O-CA 3.14Å; K247-L252 HydrophobicContact CB-CD1 4.05Å; K247-L252 HydrophobicContact CB-CG 4.01Å; K247-L252 HydrophobicContact CD-CD1 3.75Å; K247-L252 HydrophobicContact CD-CG 3.94Å; K247-L252 HydrophobicContact CG-CD1 4.42Å; K247-L252 HydrophobicContact CG-CG 4.29Å
248	T	97.6	Very high	98.5	Very high	26 Å²	26	23.7 Å²	23.7	16%	0.16	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-117.9	-1.8	-177.5	62.7	0	0	0	0	114	F36 S37 P250 P251	F36-T248 WeakPolarHBondContact CA-O 3.34Å; F36-T248 HydrophobicContact CD1-CG2 3.95Å; F36-T248 HydrophobicContact CE1-CG2 3.57Å; F36-T248 HydrophobicContact CZ-CG2 3.87Å; S37-T248 PolarHBondContact N-O 3.16Å; T248-P250 VanDerWaalsContact C-C 3.49Å; T248-P251 WeakPolarHBondContact O-CD 3.29Å
249	D	98	Very high	98.5	Very high	70 Å²	70	22.7 Å²	22.7	37%	0.374	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-143.1	73	-168.9	65.7	-24	0	0	0	114.3	S37 P39 K247	S37-D249 WeakPolarHBondContact O-CA 3.19Å; P39-D249 VanDerWaalsContact CD-C 3.49Å; P39-D249 WeakPolarHBondContact CG-O 3.48Å; K247-D249 WeakPolarHBondContact CE-O 3.48Å; K247-D249 PolarHBondContact NZ-O 2.9Å; K247-D249 IonicContact NZ-OD1 2.69Å; K247-D249 PolarHBondContact NZ-OD1 2.98Å; K247-D249 IonicContact NZ-OD2 3.36Å
250	P	98.5	Very high	98.5	Very high	2 Å²	2	19 Å²	19	1%	0.013	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	cis	-81.8	160.1	-0.3	34.3	-36.4	0	0	0	112.9	S37 I82 Y86 V233 K247 T248 L252 M255	S37-P250 WeakPolarHBondContact O-CA 3.4Å; I82-P250 HydrophobicContact CG2-CB 4.2Å; Y86-P250 HydrophobicContact CE2-CB 4.12Å; Y86-P250 HydrophobicContact CE2-CG 4.39Å; V233-P250 HydrophobicContact CG1-CG 4.04Å; V233-P250 HydrophobicContact CG2-CG 3.6Å; K247-P250 WeakPolarHBondContact CG-O 3.5Å; T248-P250 VanDerWaalsContact C-C 3.49Å; P250-L252 PolarHBondContact O-N 3.46Å; P250-M255 HydrophobicContact CB-CE 3.89Å; P250-M255 HydrophobicContact CG-CE 3.99Å
251	P	98.4	Very high	98.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-54.6	126.8	170.4	19	-31.4	0	0	0	112.2	F36 S79 I82 K247 T248 M255	F36-P251 HydrophobicContact CD1-CB 3.66Å; F36-P251 HydrophobicContact CD1-CG 4.2Å; F36-P251 HydrophobicContact CE1-CB 4.01Å; S79-P251 WeakPolarHBondContact O-CG 3.48Å; S79-P251 WeakPolarHBondContact OG-CB 3.26Å; I82-P251 HydrophobicContact CB-CG 3.85Å; I82-P251 VanDerWaalsContact CG2-CD 3.5Å; I82-P251 HydrophobicContact CG2-CG 3.66Å; K247-P251 WeakPolarHBondContact O-CA 3.14Å; T248-P251 WeakPolarHBondContact O-CD 3.29Å; P251-M255 VanDerWaalsContact O-CB 3.3Å; P251-M255 WeakPolarHBondContact O-CB 3.41Å
252	L	98.8	Very high	98.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.072	C	C	.	.			trans	-99.2	-25.5	178.6	-63	-171.1	0	0	0	114.2	F224 L228 V233 V235 L237 L244 K247 P250 I254 M255 G256	F224-L252 HydrophobicContact CZ-CD2 4.35Å; L228-L252 HydrophobicContact CD1-CD1 4.06Å; L228-L252 HydrophobicContact CD1-CD2 3.81Å; L228-L252 HydrophobicContact CD2-CD2 3.71Å; L228-L252 HydrophobicContact CG-CD2 4.45Å; V233-L252 HydrophobicContact CG1-CD2 4.4Å; V235-L252 HydrophobicContact CG1-CD1 4.3Å; V235-L252 HydrophobicContact CG2-CD1 4.13Å; L237-L252 HydrophobicContact CD2-CD1 4.14Å; L244-L252 HydrophobicContact CD1-CB 4.13Å; L244-L252 WeakPolarHBondContact CD1-O 3.45Å; L244-L252 CarbonylContact O-C 3.4Å; L244-L252 VanDerWaalsContact O-C 3.27Å; K247-L252 HydrophobicContact CB-CD1 4.05Å; K247-L252 HydrophobicContact CB-CG 4.01Å; K247-L252 HydrophobicContact CD-CD1 3.75Å; K247-L252 HydrophobicContact CD-CG 3.94Å; K247-L252 HydrophobicContact CG-CD1 4.42Å; K247-L252 HydrophobicContact CG-CG 4.29Å; P250-L252 PolarHBondContact O-N 3.46Å; L252-I254 PolarHBondContact O-N 2Å; L252-M255 HydrophobicContact CD2-SD 4.06Å; L252-M255 PolarHBondContact O-N 3.15Å; L252-M255 VanDerWaalsContact O-N 3.14Å; L252-G256 PolarHBondContact O-N 2.78Å
253	A	98.6	Very high	98.5	Very high	4 Å²	4	14.4 Å²	14.4	3%	0.033	8%	0.077	C	C	.	.	H	α-helix	trans	-60	-49.2	-169.3	0	0	0	0	0	112.6	P74 Y75 P212 L244 M245	P74-A253 HydrophobicContact CB-CB 3.81Å; Y75-A253 HydrophobicContact CE1-CB 4.28Å; P212-A253 VanDerWaalsContact CD-O 3.25Å; P212-A253 WeakPolarHBondContact CD-O 3.25Å; L244-A253 WeakPolarHBondContact O-CA 3.47Å; L244-A253 WeakPolarHBondContact O-CB 3.39Å; L244-A253 PolarHBondContact O-N 3.09Å; M245-A253 HydrophobicContact CE-CB 3.76Å; M245-A253 HydrophobicContact SD-CB 3.76Å
254	I	98.7	Very high	98.4	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-76.9	-38.2	175.2	-62.8	174.2	0	0	0	110.3	Y75 F80 A83 F146 P212 L252 G256 S257 I258	Y75-I254 HydrophobicContact CD1-CD1 4.34Å; Y75-I254 HydrophobicContact CD1-CG1 4.03Å; Y75-I254 HydrophobicContact CE1-CG1 4.47Å; F80-I254 HydrophobicContact CB-CD1 3.79Å; F80-I254 HydrophobicContact CD2-CD1 4.2Å; F80-I254 HydrophobicContact CD2-CG2 3.74Å; F80-I254 HydrophobicContact CE2-CG2 4.32Å; A83-I254 HydrophobicContact CB-CB 4.09Å; A83-I254 HydrophobicContact CB-CG2 3.95Å; F146-I254 HydrophobicContact CE1-CD1 4.45Å; F146-I254 HydrophobicContact CE1-CG1 4.37Å; P212-I254 HydrophobicContact CG-CG1 4.07Å; L252-I254 PolarHBondContact O-N 2Å; I254-G256 PolarHBondContact O-N 3.17Å; I254-S257 WeakPolarHBondContact O-CA 3.45Å; I254-S257 WeakPolarHBondContact O-CB 3.06Å; I254-S257 PolarHBondContact O-N 3.31Å; I254-I258 HydrophobicContact CG2-CD1 3.81Å; I254-I258 HydrophobicContact CG2-CG1 4.12Å; I254-I258 PolarHBondContact O-N 3.12Å
255	M	98.8	Very high	98	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.3	-40.1	-176.8	-169.5	-177	-72.6	0	0	112.7	A83 Y86 F87 F224 W227 L228 P250 P251 L252 S257 I258 W259	A83-M255 HydrophobicContact CB-CB 3.79Å; A83-M255 HydrophobicContact CB-CE 4.49Å; A83-M255 HydrophobicContact CB-CG 4.44Å; Y86-M255 HydrophobicContact CD1-CE 4.1Å; Y86-M255 HydrophobicContact CD1-SD 4.37Å; Y86-M255 HydrophobicContact CD2-CE 3.35Å; Y86-M255 HydrophobicContact CE1-CE 4.34Å; Y86-M255 HydrophobicContact CE2-CE 3.66Å; Y86-M255 HydrophobicContact CG-CE 3.61Å; Y86-M255 HydrophobicContact CG-SD 4.25Å; F87-M255 HydrophobicContact CE2-CG 3.88Å; F224-M255 HydrophobicContact CE2-CG 4.19Å; F224-M255 HydrophobicContact CZ-CB 4.14Å; F224-M255 HydrophobicContact CZ-CG 3.94Å; F224-M255 HydrophobicContact CZ-SD 4.31Å; W227-M255 HydrophobicContact CH2-SD 4.42Å; W227-M255 HydrophobicContact CZ3-CG 4.26Å; W227-M255 HydrophobicContact CZ3-SD 3.96Å; L228-M255 HydrophobicContact CD2-SD 3.6Å; L228-M255 VanDerWaalsContact CD2-SD 3.6Å; P250-M255 HydrophobicContact CB-CE 3.89Å; P250-M255 HydrophobicContact CG-CE 3.99Å; P251-M255 VanDerWaalsContact O-CB 3.3Å; P251-M255 WeakPolarHBondContact O-CB 3.41Å; L252-M255 HydrophobicContact CD2-SD 4.06Å; L252-M255 PolarHBondContact O-N 3.15Å; L252-M255 VanDerWaalsContact O-N 3.14Å; M255-S257 VanDerWaalsContact C-N 3.26Å; M255-S257 PolarHBondContact O-N 3.39Å; M255-I258 PolarHBondContact O-N 2.79Å; M255-W259 WeakPolarHBondContact O-CB 3.14Å; M255-W259 PolarHBondContact O-N 3.45Å
256	G	98.9	Very high	97.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.5	-31	175.5	0	0	0	0	0	112.9	L252 I254 F260	L252-G256 PolarHBondContact O-N 2.78Å; I254-G256 PolarHBondContact O-N 3.17Å; G256-F260 PolarHBondContact O-N 2.99Å; G256-F260 VanDerWaalsContact O-N 3.12Å
257	S	98.8	Very high	97.4	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.007	7%	0.071	C	C	.	.	H	α-helix	trans	-73.3	-43.7	173.3	-69.4	0	0	0	0	112.2	P212 I213 I254 M255 W259 F260 Y261	P212-S257 WeakPolarHBondContact CD-OG 3.14Å; I213-S257 WeakPolarHBondContact CD1-O 3.16Å; I213-S257 PolarHBondContact N-OG 2.77Å; I254-S257 WeakPolarHBondContact O-CA 3.45Å; I254-S257 WeakPolarHBondContact O-CB 3.06Å; I254-S257 PolarHBondContact O-N 3.31Å; M255-S257 VanDerWaalsContact C-N 3.26Å; M255-S257 PolarHBondContact O-N 3.39Å; S257-W259 VanDerWaalsContact C-N 3.28Å; S257-W259 PolarHBondContact O-N 3.33Å; S257-F260 PolarHBondContact O-N 3.4Å; S257-Y261 WeakPolarHBondContact O-CB 3.08Å; S257-Y261 PolarHBondContact O-N 3.14Å
258	I	98.9	Very high	97.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.5	-41.2	173.4	-61.4	173.9	0	0	0	109.7	A83 A84 F87 F90 F112 I254 M255 F260 Y261 M262	A83-I258 HydrophobicContact CB-CD1 4.05Å; A84-I258 HydrophobicContact CB-CD1 4.28Å; F87-I258 HydrophobicContact CB-CG2 3.94Å; F87-I258 HydrophobicContact CD1-CG2 4.19Å; F87-I258 HydrophobicContact CD2-CB 3.99Å; F87-I258 HydrophobicContact CD2-CG2 3.31Å; F87-I258 HydrophobicContact CE2-CB 4.02Å; F87-I258 HydrophobicContact CE2-CG2 3.78Å; F87-I258 HydrophobicContact CG-CG2 3.54Å; F87-I258 HydrophobicContact CZ-CG2 4.4Å; F90-I258 HydrophobicContact CB-CG2 4.3Å; F90-I258 HydrophobicContact CD1-CD1 4.03Å; F90-I258 HydrophobicContact CD1-CG1 4.46Å; F90-I258 HydrophobicContact CD1-CG2 4.1Å; F90-I258 HydrophobicContact CD2-CG2 4.28Å; F90-I258 HydrophobicContact CE1-CD1 3.83Å; F90-I258 HydrophobicContact CE1-CG1 4.14Å; F90-I258 HydrophobicContact CG-CG2 3.95Å; F90-I258 HydrophobicContact CZ-CG1 4.38Å; F112-I258 HydrophobicContact CE2-CG1 4.05Å; F112-I258 HydrophobicContact CZ-CG1 3.94Å; I254-I258 HydrophobicContact CG2-CD1 3.81Å; I254-I258 HydrophobicContact CG2-CG1 4.12Å; I254-I258 PolarHBondContact O-N 3.12Å; M255-I258 PolarHBondContact O-N 2.79Å; I258-F260 PolarHBondContact O-N 3.05Å; I258-Y261 PolarHBondContact O-N 2.94Å; I258-M262 HydrophobicContact CG2-CG 3.71Å; I258-M262 VanDerWaalsContact O-CB 3.29Å; I258-M262 WeakPolarHBondContact O-CB 3.23Å; I258-M262 WeakPolarHBondContact O-CG 3.46Å; I258-M262 PolarHBondContact O-N 3.37Å
259	W	98.8	Very high	97.1	Very high	7 Å²	7	12.3 Å²	12.3	3%	0.027	7%	0.065	C	C	.	.	H	α-helix	trans	-54.1	-52.7	175.4	174.6	78.7	0	0	0	112	F87 L215 N220 Q223 F224 W227 M255 S257 Y261 M262 T263	F87-W259 HydrophobicContact CE1-CB 4.29Å; F87-W259 VanDerWaalsContact CZ-CA 3.44Å; F87-W259 HydrophobicContact CZ-CB 3.68Å; F87-W259 HydrophobicContact CZ-CG 4.42Å; L215-W259 HydrophobicContact CD1-CE3 3.96Å; L215-W259 HydrophobicContact CD1-CZ3 3.8Å; N220-W259 HydrophobicContact CB-CZ3 4.37Å; Q223-W259 HydrophobicContact CB-CH2 3.66Å; Q223-W259 HydrophobicContact CB-CZ2 3.63Å; F224-W259 HydrophobicContact CB-CD2 3.81Å; F224-W259 HydrophobicContact CB-CE3 3.79Å; F224-W259 HydrophobicContact CB-CG 4.4Å; F224-W259 HydrophobicContact CB-CH2 4.35Å; F224-W259 HydrophobicContact CB-CZ2 4.36Å; F224-W259 HydrophobicContact CB-CZ3 4.08Å; F224-W259 HydrophobicContact CD2-CB 3.55Å; F224-W259 AromaticContact CD2-CD1 3.71Å; F224-W259 AromaticContact CD2-CD2 3.67Å; F224-W259 HydrophobicContact CD2-CD2 3.67Å; F224-W259 HydrophobicContact CD2-CE3 4.25Å; F224-W259 AromaticContact CD2-CG 3.31Å; F224-W259 HydrophobicContact CD2-CG 3.31Å; F224-W259 HydrophobicContact CE2-CB 3.64Å; F224-W259 AromaticContact CE2-CG 3.9Å; F224-W259 HydrophobicContact CE2-CG 3.9Å; F224-W259 HydrophobicContact CG-CB 4.44Å; F224-W259 HydrophobicContact CG-CD2 4.04Å; F224-W259 HydrophobicContact CG-CE3 4.2Å; F224-W259 HydrophobicContact CG-CG 4.14Å; W227-W259 AromaticContact CD1-NE1 3.96Å; W227-W259 AromaticContact CD2-CD1 3.69Å; W227-W259 AromaticContact CG-CD1 3.63Å; W227-W259 AromaticContact CG-NE1 3.63Å; M255-W259 WeakPolarHBondContact O-CB 3.14Å; M255-W259 PolarHBondContact O-N 3.45Å; S257-W259 VanDerWaalsContact C-N 3.28Å; S257-W259 PolarHBondContact O-N 3.33Å; W259-Y261 VanDerWaalsContact C-N 3.31Å; W259-Y261 PolarHBondContact O-N 3.26Å; W259-M262 CarbonylContact O-C 3.48Å; W259-M262 PolarHBondContact O-N 2.84Å; W259-T263 HydrophobicContact CZ2-CG2 4Å; W259-T263 PolarHBondContact NE1-OG1 3.17Å; W259-T263 WeakPolarHBondContact O-CB 3.39Å; W259-T263 PolarHBondContact O-N 2.9Å; W259-T263 PolarHBondContact O-OG1 3.18Å
260	F	98.7	Very high	97.1	Very high	18 Å²	18	9 Å²	9	8%	0.079	5%	0.047	C	C	.	.	H	α-helix	trans	-63.2	-38.4	179.4	-179.1	-80.9	0	0	0	111.7	I213 L215 G256 S257 I258 M262 M271 I301 I302	I213-F260 HydrophobicContact CD1-CB 4.08Å; I213-F260 HydrophobicContact CD1-CD1 3.69Å; I213-F260 HydrophobicContact CD1-CG 4.28Å; I213-F260 HydrophobicContact CG1-CD1 4.4Å; L215-F260 HydrophobicContact CD1-CB 4.05Å; L215-F260 HydrophobicContact CD1-CD2 4.02Å; L215-F260 HydrophobicContact CD1-CG 4.42Å; G256-F260 PolarHBondContact O-N 2.99Å; G256-F260 VanDerWaalsContact O-N 3.12Å; S257-F260 PolarHBondContact O-N 3.4Å; I258-F260 PolarHBondContact O-N 3.05Å; F260-M262 VanDerWaalsContact C-N 3.32Å; F260-M262 PolarHBondContact O-N 3.38Å; F260-M271 HydrophobicContact CD1-CE 3.42Å; F260-M271 VanDerWaalsContact CD1-CE 3.42Å; F260-M271 HydrophobicContact CE1-CE 3.49Å; F260-M271 VanDerWaalsContact CE1-CE 3.49Å; F260-I301 HydrophobicContact CE1-CG2 4.35Å; F260-I302 HydrophobicContact CE1-CG1 4.36Å
261	Y	98.8	Very high	97.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64.2	-34.8	175.4	-178.6	-96	0	0	0	113.5	F90 D108 A111 F112 S257 I258 W259 M271 H272	F90-Y261 HydrophobicContact CD2-CD1 4.01Å; F90-Y261 AromaticContact CD2-CE1 3.99Å; F90-Y261 HydrophobicContact CD2-CE1 3.99Å; F90-Y261 AromaticContact CE2-CD1 3.89Å; F90-Y261 HydrophobicContact CE2-CD1 3.89Å; F90-Y261 AromaticContact CE2-CE1 3.84Å; F90-Y261 HydrophobicContact CE2-CE1 3.84Å; D108-Y261 PolarHBondContact O-OH 3.44Å; D108-Y261 VanDerWaalsContact OD1-CE1 3.24Å; D108-Y261 WeakPolarHBondContact OD1-CE1 3.36Å; D108-Y261 PolarHBondContact OD1-OH 3.42Å; A111-Y261 HydrophobicContact CB-CE2 4.36Å; F112-Y261 HydrophobicContact CB-CD2 4.38Å; F112-Y261 HydrophobicContact CB-CE1 4.5Å; F112-Y261 HydrophobicContact CB-CE2 4.26Å; F112-Y261 HydrophobicContact CD2-CD1 4.38Å; F112-Y261 HydrophobicContact CD2-CD2 4.14Å; F112-Y261 AromaticContact CD2-CG 3.92Å; F112-Y261 HydrophobicContact CD2-CG 3.92Å; S257-Y261 WeakPolarHBondContact O-CB 3.08Å; S257-Y261 PolarHBondContact O-N 3.14Å; I258-Y261 PolarHBondContact O-N 2.94Å; W259-Y261 VanDerWaalsContact C-N 3.31Å; W259-Y261 PolarHBondContact O-N 3.26Å; Y261-M271 HydrophobicContact CD2-CB 3.55Å; Y261-M271 HydrophobicContact CD2-CE 3.93Å; Y261-M271 HydrophobicContact CD2-CG 4.43Å; Y261-M271 HydrophobicContact CD2-SD 4.25Å; Y261-M271 HydrophobicContact CE2-CB 3.61Å; Y261-M271 HydrophobicContact CG-CB 4.26Å; Y261-M271 HydrophobicContact CG-CE 4.49Å; Y261-M271 PolarHBondContact O-N 2.8Å; Y261-M271 VanDerWaalsContact O-N 3.12Å; Y261-H272 HydrophobicContact CD1-CB 4Å; Y261-H272 HydrophobicContact CE1-CB 3.6Å; Y261-H272 PolarHBondContact O-N 3.43Å; Y261-H272 VanDerWaalsContact O-N 3.15Å
262	M	98.6	Very high	97.2	Very high	10 Å²	10	8.9 Å²	8.9	5%	0.049	5%	0.046	C	C	.	.	H	α-helix	trans	-95	-3	-176.1	-62.5	-62.1	-63.1	0	0	113.9	F87 Q89 F90 I258 W259 F260 H272 F397	F87-M262 HydrophobicContact CB-CG 4.35Å; F87-M262 HydrophobicContact CD1-CB 3.81Å; F87-M262 HydrophobicContact CD1-CG 3.83Å; F87-M262 HydrophobicContact CE1-CB 4.11Å; F87-M262 HydrophobicContact CE1-CG 4.45Å; F87-M262 HydrophobicContact CG-CG 4.21Å; Q89-M262 HydrophobicContact CB-CE 4.04Å; F90-M262 HydrophobicContact CB-CE 4.16Å; F90-M262 HydrophobicContact CB-CG 4.43Å; F90-M262 HydrophobicContact CB-SD 3.86Å; F90-M262 HydrophobicContact CD2-SD 3.78Å; F90-M262 HydrophobicContact CG-SD 4.25Å; I258-M262 HydrophobicContact CG2-CG 3.71Å; I258-M262 VanDerWaalsContact O-CB 3.29Å; I258-M262 WeakPolarHBondContact O-CB 3.23Å; I258-M262 WeakPolarHBondContact O-CG 3.46Å; I258-M262 PolarHBondContact O-N 3.37Å; W259-M262 CarbonylContact O-C 3.48Å; W259-M262 PolarHBondContact O-N 2.84Å; F260-M262 VanDerWaalsContact C-N 3.32Å; F260-M262 PolarHBondContact O-N 3.38Å; M262-H272 HydrophobicContact CE-CB 4.09Å; M262-H272 VanDerWaalsContact CE-CD2 3.48Å; M262-H272 WeakPolarHBondContact CE-CD2 3.34Å; M262-H272 HydrophobicContact SD-CB 3.44Å; M262-H272 WeakPolarHBondContact SD-CB 3.38Å; M262-F397 WeakPolarHBondContact O-CZ 3.19Å
263	T	97.8	Very high	97.1	Very high	20 Å²	20	8.9 Å²	8.9	12%	0.123	5%	0.046	C	C	.	.			trans	-114.1	123.2	-171.4	-58.4	0	0	0	0	111.8	W259	W259-T263 HydrophobicContact CZ2-CG2 4Å; W259-T263 PolarHBondContact NE1-OG1 3.17Å; W259-T263 WeakPolarHBondContact O-CB 3.39Å; W259-T263 PolarHBondContact O-N 2.9Å; W259-T263 PolarHBondContact O-OG1 3.18Å
264	P	96.1	Very high	97.1	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.006	5%	0.045	C	C	.	.			trans	-67.9	148.8	172.6	28.6	-35.4	0	0	0	111.7	K268 Y388 Y393 F397	P264-K268 WeakPolarHBondContact CB-O 3.42Å; P264-Y388 HydrophobicContact CB-CE1 4.08Å; P264-Y388 HydrophobicContact CG-CD1 4.19Å; P264-Y388 HydrophobicContact CG-CE1 3.42Å; P264-Y388 VanDerWaalsContact CG-CE1 3.42Å; P264-Y393 HydrophobicContact CB-CD1 4.06Å; P264-Y393 HydrophobicContact CB-CE1 3.92Å; P264-Y393 HydrophobicContact CG-CD1 4.43Å; P264-F397 HydrophobicContact CG-CD1 3.86Å; P264-F397 HydrophobicContact CG-CD2 4Å; P264-F397 HydrophobicContact CG-CE1 3.88Å; P264-F397 HydrophobicContact CG-CE2 3.99Å; P264-F397 HydrophobicContact CG-CG 3.94Å; P264-F397 HydrophobicContact CG-CZ 3.95Å
265	Q	91.6	Very high	97.1	Very high	51 Å²	51	8.8 Å²	8.8	24%	0.238	5%	0.045	C	C	.	.	B	Isolated β-bridge	trans	-126.9	84.7	172.2	-70.6	175.5	47.6	0	0	108.2	K268	Q265-K268 CarbonylContact C-O 3.47Å; Q265-K268 PolarHBondContact N-O 3.02Å; Q265-K268 WeakPolarHBondContact O-CA 3.48Å; Q265-K268 VanDerWaalsContact O-CB 3.22Å; Q265-K268 WeakPolarHBondContact O-CB 3.42Å; Q265-K268 PolarHBondContact O-N 3.4Å
266	P	91.8	Very high	97.1	Very high	26 Å²	26	8.8 Å²	8.8	17%	0.169	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.7	130.9	-170.7	-33	37.5	0	0	0	113.5	A386 Y388 Y393	P266-A386 HydrophobicContact CG-CB 3.98Å; P266-Y388 HydrophobicContact CG-CD1 4.15Å; P266-Y388 HydrophobicContact CG-CE1 3.77Å; P266-Y393 WeakPolarHBondContact CA-OH 3.38Å; P266-Y393 WeakPolarHBondContact CB-OH 3.48Å; P266-Y393 HydrophobicContact CG-CE1 4.43Å
267	P	91.5	Very high	97	Very high	5 Å²	5	9.9 Å²	9.9	3%	0.032	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.9	-0.4	10.7	35.4	-36.8	0	0	0	115.1	L352 G356 K358	P267-L352 WeakPolarHBondContact CG-O 3.31Å; P267-G356 WeakPolarHBondContact CB-O 2.96Å; P267-K358 HydrophobicContact CB-CB 4.36Å; P267-K358 HydrophobicContact CG-CB 4.31Å
268	K	94	Very high	96.9	Very high	36 Å²	36	13.4 Å²	13.4	16%	0.157	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-74.7	130	-177.3	-50.8	-176.7	-171.8	-165	0	110.4	P264 Q265 F300 I301 L352 D353	P264-K268 WeakPolarHBondContact CB-O 3.42Å; Q265-K268 CarbonylContact C-O 3.47Å; Q265-K268 PolarHBondContact N-O 3.02Å; Q265-K268 WeakPolarHBondContact O-CA 3.48Å; Q265-K268 VanDerWaalsContact O-CB 3.22Å; Q265-K268 WeakPolarHBondContact O-CB 3.42Å; Q265-K268 PolarHBondContact O-N 3.4Å; K268-F300 HydrophobicContact CD-CD1 4.44Å; K268-F300 HydrophobicContact CD-CE1 4.08Å; K268-F300 HydrophobicContact CG-CE1 4.43Å; K268-I301 HydrophobicContact CB-CG1 4.25Å; K268-I301 HydrophobicContact CD-CG1 4.5Å; K268-L352 HydrophobicContact CG-CB 4.33Å; K268-D353 VanDerWaalsContact CE-CG 3.41Å; K268-D353 WeakPolarHBondContact CE-OD1 3.49Å; K268-D353 WeakPolarHBondContact CE-OD2 3.19Å; K268-D353 IonicContact NZ-OD1 2.6Å; K268-D353 IonicContact NZ-OD2 2.9Å; K268-D353 PolarHBondContact NZ-OD2 3.42Å
269	P	96	Very high	96.8	Very high	8 Å²	8	14.2 Å²	14.2	5%	0.052	8%	0.076	C	C	.	.			trans	-70	176.7	171.5	34.2	-36.1	0	0	0	110.5	D273 I274 W279 I301	P269-D273 HydrophobicContact CB-CB 4.41Å; P269-I274 HydrophobicContact CG-CD1 3.73Å; P269-I274 HydrophobicContact CG-CG1 3.78Å; P269-W279 HydrophobicContact CB-CB 3.94Å; P269-W279 HydrophobicContact CG-CB 4.04Å; P269-W279 HydrophobicContact CG-CE3 4.34Å; P269-I301 HydrophobicContact CG-CD1 4.3Å; P269-I301 WeakPolarHBondContact O-CD1 3.46Å
270	A	97.9	Very high	96.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.			trans	-69.1	152.2	166.1	0	0	0	0	0	110.3	H272 D273 I274	A270-H272 VanDerWaalsContact C-N 3.27Å; A270-H272 HydrophobicContact CB-CB 4.48Å; A270-H272 PolarHBondContact O-N 3.12Å; A270-D273 HydrophobicContact CB-CB 4.3Å; A270-D273 WeakPolarHBondContact CB-OD2 3.22Å; A270-D273 PolarHBondContact O-N 3.14Å; A270-D273 VanDerWaalsContact O-N 3.16Å; A270-I274 PolarHBondContact O-N 3.29Å
271	M	98.6	Very high	96.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.8	-40.4	173.4	-70.8	-172.9	-82.3	0	0	111.1	I213 F260 Y261 D273 I274 V275 T298 I301 I302	I213-M271 HydrophobicContact CD1-CE 4.04Å; F260-M271 HydrophobicContact CD1-CE 3.42Å; F260-M271 VanDerWaalsContact CD1-CE 3.42Å; F260-M271 HydrophobicContact CE1-CE 3.49Å; F260-M271 VanDerWaalsContact CE1-CE 3.49Å; Y261-M271 HydrophobicContact CD2-CB 3.55Å; Y261-M271 HydrophobicContact CD2-CE 3.93Å; Y261-M271 HydrophobicContact CD2-CG 4.43Å; Y261-M271 HydrophobicContact CD2-SD 4.25Å; Y261-M271 HydrophobicContact CE2-CB 3.61Å; Y261-M271 HydrophobicContact CG-CB 4.26Å; Y261-M271 HydrophobicContact CG-CE 4.49Å; Y261-M271 PolarHBondContact O-N 2.8Å; Y261-M271 VanDerWaalsContact O-N 3.12Å; M271-D273 VanDerWaalsContact C-N 3.3Å; M271-D273 PolarHBondContact O-N 3.44Å; M271-I274 WeakPolarHBondContact O-CB 3.44Å; M271-I274 PolarHBondContact O-N 3.11Å; M271-V275 PolarHBondContact O-N 3.15Å; M271-T298 HydrophobicContact CB-CG2 3.85Å; M271-T298 HydrophobicContact CG-CG2 4.14Å; M271-I301 HydrophobicContact CG-CB 3.87Å; M271-I301 HydrophobicContact CG-CD1 3.83Å; M271-I301 HydrophobicContact CG-CG1 4.46Å; M271-I301 HydrophobicContact CG-CG2 3.8Å; M271-I301 HydrophobicContact SD-CB 4.37Å; M271-I301 HydrophobicContact SD-CG2 4.3Å; M271-I302 HydrophobicContact SD-CB 4.17Å
272	H	98.7	Very high	96.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-52.8	-44.7	171.6	171.2	79	0	0	0	113.2	E93 D108 Y261 M262 A270 I274 V275 M276 R396	E93-H272 IonicContact OE2-CE1 3.15Å; E93-H272 IonicContact OE2-NE2 3.8Å; E93-H272 PolarHBondContact OE2-NE2 3.35Å; D108-H272 VanDerWaalsContact CG-ND1 3.32Å; D108-H272 IonicContact OD1-CG 3.58Å; D108-H272 IonicContact OD1-ND1 3.2Å; D108-H272 PolarHBondContact OD1-ND1 3.15Å; D108-H272 VanDerWaalsContact OD1-ND1 3.15Å; D108-H272 IonicContact OD2-CE1 4Å; D108-H272 PolarHBondContact OD2-CE1 2.97Å; D108-H272 IonicContact OD2-ND1 3.94Å; D108-H272 PolarHBondContact OD2-ND1 2.88Å; Y261-H272 HydrophobicContact CD1-CB 4Å; Y261-H272 HydrophobicContact CE1-CB 3.6Å; Y261-H272 PolarHBondContact O-N 3.43Å; Y261-H272 VanDerWaalsContact O-N 3.15Å; M262-H272 HydrophobicContact CE-CB 4.09Å; M262-H272 VanDerWaalsContact CE-CD2 3.48Å; M262-H272 WeakPolarHBondContact CE-CD2 3.34Å; M262-H272 HydrophobicContact SD-CB 3.44Å; M262-H272 WeakPolarHBondContact SD-CB 3.38Å; A270-H272 VanDerWaalsContact C-N 3.27Å; A270-H272 HydrophobicContact CB-CB 4.48Å; A270-H272 PolarHBondContact O-N 3.12Å; H272-I274 VanDerWaalsContact C-N 3.28Å; H272-I274 PolarHBondContact O-N 2.81Å; H272-V275 PolarHBondContact O-N 3.35Å; H272-V275 VanDerWaalsContact O-N 3.14Å; H272-M276 WeakPolarHBondContact O-CB 3.4Å; H272-M276 WeakPolarHBondContact O-CG 3.39Å; H272-M276 PolarHBondContact O-N 3.19Å; H272-R396 PolarHBondContact CD2-NH2 3.02Å
273	D	98.3	Very high	96	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.2	-32.1	-178.3	-69.6	-31.5	0	0	0	112.5	P269 A270 M271 G277 Q278 W279 R396	P269-D273 HydrophobicContact CB-CB 4.41Å; A270-D273 HydrophobicContact CB-CB 4.3Å; A270-D273 WeakPolarHBondContact CB-OD2 3.22Å; A270-D273 PolarHBondContact O-N 3.14Å; A270-D273 VanDerWaalsContact O-N 3.16Å; M271-D273 VanDerWaalsContact C-N 3.3Å; M271-D273 PolarHBondContact O-N 3.44Å; D273-G277 CarbonylContact O-C 3.58Å; D273-G277 PolarHBondContact O-N 3.32Å; D273-Q278 PolarHBondContact O-N 3.25Å; D273-W279 HydrophobicContact CB-CB 4.43Å; D273-R396 IonicContact OD1-CZ 3.96Å; D273-R396 IonicContact OD1-NH2 2.64Å; D273-R396 PolarHBondContact OD1-NH2 3.39Å; D273-R396 IonicContact OD2-NH2 3.21Å
274	I	98.3	Very high	95.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.5	-47.9	172.2	-71.2	153	0	0	0	110.7	P269 A270 M271 H272 M276 G277 W279 I294 P297 T298 I301	P269-I274 HydrophobicContact CG-CD1 3.73Å; P269-I274 HydrophobicContact CG-CG1 3.78Å; A270-I274 PolarHBondContact O-N 3.29Å; M271-I274 WeakPolarHBondContact O-CB 3.44Å; M271-I274 PolarHBondContact O-N 3.11Å; H272-I274 VanDerWaalsContact C-N 3.28Å; H272-I274 PolarHBondContact O-N 2.81Å; I274-M276 VanDerWaalsContact C-N 3.29Å; I274-M276 PolarHBondContact O-N 3.36Å; I274-G277 PolarHBondContact O-N 3.2Å; I274-W279 VanDerWaalsContact CA-CD1 3.5Å; I274-W279 HydrophobicContact CB-CG 4.46Å; I274-W279 HydrophobicContact CG1-CB 4.29Å; I274-W279 HydrophobicContact CG1-CD2 3.76Å; I274-W279 HydrophobicContact CG1-CE3 4.06Å; I274-W279 HydrophobicContact CG1-CG 3.87Å; I274-I294 HydrophobicContact CG2-CG1 4.16Å; I274-I294 WeakPolarHBondContact CG2-O 3.44Å; I274-I294 PolarHBondContact O-N 3.33Å; I274-P297 HydrophobicContact CD1-CB 3.81Å; I274-P297 HydrophobicContact CG1-CB 4.26Å; I274-P297 HydrophobicContact CG2-CB 4.02Å; I274-P297 HydrophobicContact CG2-CG 4.05Å; I274-T298 HydrophobicContact CB-CG2 4.09Å; I274-T298 HydrophobicContact CD1-CG2 4.3Å; I274-T298 HydrophobicContact CG2-CG2 3.96Å; I274-I301 HydrophobicContact CD1-CD1 3.25Å; I274-I301 HydrophobicContact CD1-CG1 4.3Å
275	V	98.7	Very high	96	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-67.2	-32.4	-179.2	-179.8	0	0	0	0	111.7	R107 A111 M271 H272 G277 P293 T298	R107-V275 HydrophobicContact CB-CG1 4.28Å; A111-V275 HydrophobicContact CB-CG2 3.74Å; M271-V275 PolarHBondContact O-N 3.15Å; H272-V275 PolarHBondContact O-N 3.35Å; H272-V275 VanDerWaalsContact O-N 3.14Å; V275-G277 VanDerWaalsContact C-N 3.32Å; V275-P293 WeakPolarHBondContact O-CA 3.42Å; V275-P293 WeakPolarHBondContact O-CB 3.09Å; V275-T298 HydrophobicContact CG2-CG2 4.02Å
276	M	98.2	Very high	96.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-77.8	-15.3	173.6	-69.3	-57.4	149.3	0	0	113.6	E93 P95 N97 N104 D108 H272 I274 Q278	E93-M276 HydrophobicContact CB-CE 4.45Å; E93-M276 HydrophobicContact CB-SD 4.02Å; P95-M276 HydrophobicContact CG-CB 4.2Å; P95-M276 WeakPolarHBondContact CG-O 3.19Å; P95-M276 HydrophobicContact CG-SD 4.01Å; N97-M276 PolarHBondContact ND2-O 3.16Å; N104-M276 HydrophobicContact CB-SD 4.43Å; D108-M276 HydrophobicContact CB-CE 3.35Å; D108-M276 WeakPolarHBondContact OD2-CE 3.33Å; H272-M276 WeakPolarHBondContact O-CB 3.4Å; H272-M276 WeakPolarHBondContact O-CG 3.39Å; H272-M276 PolarHBondContact O-N 3.19Å; I274-M276 VanDerWaalsContact C-N 3.29Å; I274-M276 PolarHBondContact O-N 3.36Å; M276-Q278 VanDerWaalsContact C-N 3.34Å; M276-Q278 HydrophobicContact CB-CB 4.49Å; M276-Q278 HydrophobicContact CB-CG 4.13Å
277	G	97.7	Very high	96.5	Very high	24 Å²	24	32.2 Å²	32.2	25%	0.247	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	23.1	-174.4	0	0	0	0	0	114.3	D273 I274 V275 G292	D273-G277 CarbonylContact O-C 3.58Å; D273-G277 PolarHBondContact O-N 3.32Å; I274-G277 PolarHBondContact O-N 3.2Å; V275-G277 VanDerWaalsContact C-N 3.32Å; G277-G292 WeakPolarHBondContact CA-O 3.24Å
278	Q	96.4	Very high	96.8	Very high	75 Å²	75	33.3 Å²	33.3	35%	0.35	18%	0.178	S	C	.	.			trans	-106.7	48.7	-178.7	-63.5	-176.8	-51.5	0	0	111.9	D273 M276 P394	D273-Q278 PolarHBondContact O-N 3.25Å; M276-Q278 VanDerWaalsContact C-N 3.34Å; M276-Q278 HydrophobicContact CB-CB 4.49Å; M276-Q278 HydrophobicContact CB-CG 4.13Å; Q278-P394 HydrophobicContact CB-CG 4.48Å
279	W	96.2	Very high	96.9	Very high	17 Å²	17	33 Å²	33	6%	0.064	19%	0.185	C	C	.	.	S	Bend	trans	-135.6	155.6	-175.1	65.6	-68.1	0	0	0	111.3	P269 D273 I274 P281 Y290 G292 I294 P297 L352	P269-W279 HydrophobicContact CB-CB 3.94Å; P269-W279 HydrophobicContact CG-CB 4.04Å; P269-W279 HydrophobicContact CG-CE3 4.34Å; D273-W279 HydrophobicContact CB-CB 4.43Å; I274-W279 VanDerWaalsContact CA-CD1 3.5Å; I274-W279 HydrophobicContact CB-CG 4.46Å; I274-W279 HydrophobicContact CG1-CB 4.29Å; I274-W279 HydrophobicContact CG1-CD2 3.76Å; I274-W279 HydrophobicContact CG1-CE3 4.06Å; I274-W279 HydrophobicContact CG1-CG 3.87Å; W279-P281 HydrophobicContact CE3-CB 3.99Å; W279-P281 HydrophobicContact CH2-CB 3.59Å; W279-P281 HydrophobicContact CZ2-CB 4.14Å; W279-P281 VanDerWaalsContact CZ3-CA 3.45Å; W279-P281 HydrophobicContact CZ3-CB 3.5Å; W279-P281 VanDerWaalsContact CZ3-CB 3.5Å; W279-P281 WeakPolarHBondContact O-CD 3.26Å; W279-Y290 WeakPolarHBondContact CH2-O 3.48Å; W279-G292 PolarHBondContact NE1-O 3.41Å; W279-I294 HydrophobicContact CH2-CD1 4.32Å; W279-I294 HydrophobicContact CZ2-CD1 3.76Å; W279-I294 HydrophobicContact CZ2-CG1 3.95Å; W279-P297 HydrophobicContact CH2-CB 4.18Å; W279-P297 HydrophobicContact CH2-CG 3.62Å; W279-P297 HydrophobicContact CZ2-CG 3.99Å; W279-P297 HydrophobicContact CZ3-CB 4.4Å; W279-P297 HydrophobicContact CZ3-CG 4.32Å; W279-L352 HydrophobicContact CE3-CD2 4.41Å; W279-L352 HydrophobicContact CZ3-CD2 3.83Å
280	E	95	Very high	97	Very high	56 Å²	56	32.7 Å²	32.7	26%	0.262	18%	0.182	S	C	.	.			trans	-95	106.2	173.4	179.8	50.2	-116.6	0	0	110.8	G282 R286 I355 R392	E280-G282 VanDerWaalsContact OE1-CA 3.32Å; E280-G282 WeakPolarHBondContact OE1-CA 3.32Å; E280-G282 PolarHBondContact OE1-N 3.14Å; E280-R286 VanDerWaalsContact CD-NH2 3.27Å; E280-R286 IonicContact OE1-CZ 2.74Å; E280-R286 IonicContact OE1-NH2 3.63Å; E280-R286 PolarHBondContact OE1-NH2 2.87Å; E280-R286 IonicContact OE2-NH2 2.88Å; E280-R286 PolarHBondContact OE2-NH2 3.45Å; E280-I355 WeakPolarHBondContact O-CD1 3.31Å; E280-R392 HydrophobicContact CB-CG 3.68Å; E280-R392 HydrophobicContact CG-CG 4.17Å
281	P	95.1	Very high	96.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	20%	0.195	C	C	.	.			trans	-76.5	-17.5	178.7	31	-39.4	0	0	0	114.7	W279 N285 R286 Y290 I355	W279-P281 HydrophobicContact CE3-CB 3.99Å; W279-P281 HydrophobicContact CH2-CB 3.59Å; W279-P281 HydrophobicContact CZ2-CB 4.14Å; W279-P281 VanDerWaalsContact CZ3-CA 3.45Å; W279-P281 HydrophobicContact CZ3-CB 3.5Å; W279-P281 VanDerWaalsContact CZ3-CB 3.5Å; W279-P281 WeakPolarHBondContact O-CD 3.26Å; P281-N285 HydrophobicContact CB-CB 3.88Å; P281-N285 VanDerWaalsContact O-CB 3.25Å; P281-N285 WeakPolarHBondContact O-CB 3.29Å; P281-N285 PolarHBondContact O-ND2 3.38Å; P281-R286 HydrophobicContact CG-CB 4.02Å; P281-Y290 WeakPolarHBondContact CB-O 3.45Å; P281-I355 WeakPolarHBondContact O-CG2 3.47Å
282	G	94.2	Very high	96.9	Very high	13 Å²	13	35.7 Å²	35.7	13%	0.134	21%	0.207	C	C	.	.			trans	81	159.9	-165.2	0	0	0	0	0	112.5	E280 S284 N285 R286	E280-G282 VanDerWaalsContact OE1-CA 3.32Å; E280-G282 WeakPolarHBondContact OE1-CA 3.32Å; E280-G282 PolarHBondContact OE1-N 3.14Å; G282-S284 PolarHBondContact O-N 2.79Å; G282-N285 PolarHBondContact O-N 2.78Å; G282-R286 WeakPolarHBondContact O-CB 3.45Å; G282-R286 PolarHBondContact O-N 3.03Å
283	Y	94.3	Very high	96.8	Very high	195 Å²	195	36.5 Å²	36.5	77%	0.765	21%	0.212	S	C	*	.	H	α-helix	trans	-57.5	-50.9	-173.8	177.2	-95.7	0	0	0	113.2	N285 R286 A287	Y283-N285 PolarHBondContact O-N 3.13Å; Y283-R286 PolarHBondContact O-N 3.07Å; Y283-A287 WeakPolarHBondContact O-CB 3.44Å; Y283-A287 PolarHBondContact O-N 3.4Å
284	S	96.2	Very high	96.8	Very high	54 Å²	54	37.2 Å²	37.2	38%	0.378	22%	0.216	S	C	.	.	H	α-helix	trans	-63.2	-42.4	-175.4	-53.4	0	0	0	0	112.6	G282 A288	G282-S284 PolarHBondContact O-N 2.79Å; S284-A288 WeakPolarHBondContact O-CB 3.47Å; S284-A288 PolarHBondContact O-N 2.99Å; S284-A288 VanDerWaalsContact O-N 3.11Å
285	N	97.3	Very high	96.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.9	-44.4	176.2	-73.7	-26.4	0	0	0	111.6	P281 G282 Y283 A287 A288 G289 Y290 M348 P349 T350	P281-N285 HydrophobicContact CB-CB 3.88Å; P281-N285 VanDerWaalsContact O-CB 3.25Å; P281-N285 WeakPolarHBondContact O-CB 3.29Å; P281-N285 PolarHBondContact O-ND2 3.38Å; G282-N285 PolarHBondContact O-N 2.78Å; Y283-N285 PolarHBondContact O-N 3.13Å; N285-A287 VanDerWaalsContact C-N 3.35Å; N285-A287 PolarHBondContact O-N 3.07Å; N285-A288 CarbonylContact O-C 3.32Å; N285-A288 WeakPolarHBondContact O-CA 3.14Å; N285-A288 PolarHBondContact O-N 3.36Å; N285-G289 PolarHBondContact O-N 3.11Å; N285-Y290 WeakPolarHBondContact O-CB 3.48Å; N285-Y290 PolarHBondContact O-N 3.22Å; N285-M348 WeakPolarHBondContact ND2-CE 3.32Å; N285-P349 VanDerWaalsContact OD1-CD 3.24Å; N285-P349 WeakPolarHBondContact OD1-CD 3.32Å; N285-T350 VanDerWaalsContact CG-OG1 3.29Å; N285-T350 PolarHBondContact ND2-O 3.05Å; N285-T350 PolarHBondContact ND2-OG1 3.18Å; N285-T350 VanDerWaalsContact ND2-OG1 3.12Å; N285-T350 PolarHBondContact OD1-N 2.84Å; N285-T350 VanDerWaalsContact OD1-N 3.12Å; N285-T350 PolarHBondContact OD1-O 2.9Å; N285-T350 PolarHBondContact OD1-OG1 2.97Å
286	R	96.6	Very high	96.8	Very high	113 Å²	113	37.2 Å²	37.2	43%	0.426	22%	0.216	S	C	.	.	H	α-helix	trans	-58	-46.8	175.7	-169.8	-176	-55.9	-85.3	2.6	111.7	E280 P281 G282 Y283 A288 G289	E280-R286 VanDerWaalsContact CD-NH2 3.27Å; E280-R286 IonicContact OE1-CZ 2.74Å; E280-R286 IonicContact OE1-NH2 3.63Å; E280-R286 PolarHBondContact OE1-NH2 2.87Å; E280-R286 IonicContact OE2-NH2 2.88Å; E280-R286 PolarHBondContact OE2-NH2 3.45Å; P281-R286 HydrophobicContact CG-CB 4.02Å; G282-R286 WeakPolarHBondContact O-CB 3.45Å; G282-R286 PolarHBondContact O-N 3.03Å; Y283-R286 PolarHBondContact O-N 3.07Å; R286-A288 PolarHBondContact O-N 2.99Å; R286-G289 PolarHBondContact O-N 3.26Å
287	A	97.3	Very high	96.8	Very high	78 Å²	78	37.2 Å²	37.2	65%	0.645	22%	0.216	S	C	*	.	H	α-helix	trans	-62.4	-28.6	177	0	0	0	0	0	112.6	Y283 N285 G289	Y283-A287 WeakPolarHBondContact O-CB 3.44Å; Y283-A287 PolarHBondContact O-N 3.4Å; N285-A287 VanDerWaalsContact C-N 3.35Å; N285-A287 PolarHBondContact O-N 3.07Å; A287-G289 VanDerWaalsContact C-N 3.34Å
288	A	97	Very high	96.8	Very high	29 Å²	29	36 Å²	36	24%	0.24	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	6.2	175.2	0	0	0	0	0	114.7	S284 N285 R286 Y290 P349	S284-A288 WeakPolarHBondContact O-CB 3.47Å; S284-A288 PolarHBondContact O-N 2.99Å; S284-A288 VanDerWaalsContact O-N 3.11Å; N285-A288 CarbonylContact O-C 3.32Å; N285-A288 WeakPolarHBondContact O-CA 3.14Å; N285-A288 PolarHBondContact O-N 3.36Å; R286-A288 PolarHBondContact O-N 2.99Å; A288-Y290 HydrophobicContact CB-CD2 4.05Å; A288-P349 HydrophobicContact CB-CG 3.45Å; A288-P349 VanDerWaalsContact CB-CG 3.45Å
289	G	97	Very high	96.9	Very high	29 Å²	29	32.5 Å²	32.5	30%	0.299	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	-4.1	178.9	0	0	0	0	0	115.2	N285 R286 A287 S291 H342	N285-G289 PolarHBondContact O-N 3.11Å; R286-G289 PolarHBondContact O-N 3.26Å; A287-G289 VanDerWaalsContact C-N 3.34Å; G289-S291 VanDerWaalsContact C-N 3.28Å; G289-S291 PolarHBondContact O-N 2.93Å; G289-H342 PolarHBondContact O-NE2 3.35Å
290	Y	97.7	Very high	96.9	Very high	1 Å²	1	32 Å²	32	0%	0.004	19%	0.186	C	C	.	.			trans	-80.5	73.4	178.5	-70.9	-87.7	0	0	0	111	W279 P281 N285 A288 I294 R341 T344 G347 M348	W279-Y290 WeakPolarHBondContact CH2-O 3.48Å; P281-Y290 WeakPolarHBondContact CB-O 3.45Å; N285-Y290 WeakPolarHBondContact O-CB 3.48Å; N285-Y290 PolarHBondContact O-N 3.22Å; A288-Y290 HydrophobicContact CB-CD2 4.05Å; Y290-I294 HydrophobicContact CD1-CD1 3.9Å; Y290-R341 PolarHBondContact OH-O 3.19Å; Y290-T344 VanDerWaalsContact CE1-O 3.27Å; Y290-T344 WeakPolarHBondContact CE1-O 3.48Å; Y290-G347 WeakPolarHBondContact CE2-O 3.49Å; Y290-G347 VanDerWaalsContact CZ-C 3.42Å; Y290-G347 VanDerWaalsContact OH-C 3.25Å; Y290-G347 WeakPolarHBondContact OH-CA 3.38Å; Y290-G347 PolarHBondContact OH-N 3.4Å; Y290-M348 HydrophobicContact CD1-CG 3.32Å; Y290-M348 HydrophobicContact CD1-SD 4.21Å; Y290-M348 HydrophobicContact CD2-CG 4.03Å; Y290-M348 HydrophobicContact CE1-CG 3.55Å; Y290-M348 HydrophobicContact CE2-CG 4.24Å; Y290-M348 HydrophobicContact CG-CG 3.57Å
291	S	96.8	Very high	96.9	Very high	39 Å²	39	29.9 Å²	29.9	27%	0.273	18%	0.176	S	C	.	.			trans	-152.8	169.1	176	66.4	0	0	0	0	110.3	G289	G289-S291 VanDerWaalsContact C-N 3.28Å; G289-S291 PolarHBondContact O-N 2.93Å
292	G	97	Very high	97	Very high	24 Å²	24	30.9 Å²	30.9	25%	0.247	18%	0.181	C	C	.	.	S	Bend	trans	70.8	-163.7	-179.5	0	0	0	0	0	112.9	G277 W279 I294	G277-G292 WeakPolarHBondContact CA-O 3.24Å; W279-G292 PolarHBondContact NE1-O 3.41Å; G292-I294 PolarHBondContact O-N 2.9Å
293	P	98	Very high	96.8	Very high	17 Å²	17	35 Å²	35	11%	0.11	20%	0.2	C	C	.	.	S	Bend	trans	-79.9	76.6	-168.8	32.8	-37.4	0	0	0	113.4	N97 Y99 R107 V275	N97-P293 HydrophobicContact CB-CG 3.99Å; N97-P293 WeakPolarHBondContact ND2-CB 3.49Å; N97-P293 WeakPolarHBondContact O-CG 2.89Å; Y99-P293 HydrophobicContact CD2-CB 3.85Å; Y99-P293 HydrophobicContact CD2-CG 3.56Å; Y99-P293 HydrophobicContact CE2-CB 3.8Å; Y99-P293 HydrophobicContact CE2-CG 3.48Å; Y99-P293 VanDerWaalsContact CE2-CG 3.48Å; R107-P293 PolarHBondContact NH2-O 3.44Å; R107-P293 VanDerWaalsContact NH2-O 3.11Å; V275-P293 WeakPolarHBondContact O-CA 3.42Å; V275-P293 WeakPolarHBondContact O-CB 3.09Å
294	I	98.5	Very high	96.7	Very high	16 Å²	16	30.7 Å²	30.7	8%	0.082	19%	0.19	C	C	.	.			trans	-112.2	177	-176.9	65.4	171.3	0	0	0	111.9	I274 W279 Y290 G292 P297 H342	I274-I294 HydrophobicContact CG2-CG1 4.16Å; I274-I294 WeakPolarHBondContact CG2-O 3.44Å; I274-I294 PolarHBondContact O-N 3.33Å; W279-I294 HydrophobicContact CH2-CD1 4.32Å; W279-I294 HydrophobicContact CZ2-CD1 3.76Å; W279-I294 HydrophobicContact CZ2-CG1 3.95Å; Y290-I294 HydrophobicContact CD1-CD1 3.9Å; G292-I294 PolarHBondContact O-N 2.9Å; I294-P297 HydrophobicContact CD1-CG 3.67Å; I294-P297 HydrophobicContact CG1-CG 4.08Å; I294-H342 HydrophobicContact CB-CB 3.91Å; I294-H342 HydrophobicContact CD1-CB 4.25Å; I294-H342 HydrophobicContact CG2-CB 3.66Å
295	F	98.7	Very high	96.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-113.4	-43.5	-177	178	-106.7	0	0	0	112.9	A111 A114 H115 P297 T298 R322 I323 F326 H342 L343	A111-F295 HydrophobicContact CB-CD2 3.92Å; A111-F295 HydrophobicContact CB-CE2 3.86Å; A114-F295 HydrophobicContact CB-CE2 4.32Å; A114-F295 HydrophobicContact CB-CZ 4.07Å; H115-F295 AromaticContact NE2-CE2 3.83Å; F295-P297 VanDerWaalsContact C-CD 3.46Å; F295-P297 VanDerWaalsContact O-N 3.08Å; F295-T298 WeakPolarHBondContact O-CB 3.31Å; F295-T298 WeakPolarHBondContact O-CG2 3.22Å; F295-T298 PolarHBondContact O-N 3.36Å; F295-T298 PolarHBondContact O-OG1 3.02Å; F295-R322 HydrophobicContact CE1-CB 4.11Å; F295-R322 HydrophobicContact CZ-CB 3.99Å; F295-I323 HydrophobicContact CD1-CG1 4.47Å; F295-I323 HydrophobicContact CE1-CG1 4.25Å; F295-F326 HydrophobicContact CB-CD1 3.85Å; F295-F326 HydrophobicContact CB-CE1 3.62Å; F295-F326 HydrophobicContact CB-CZ 4.16Å; F295-F326 HydrophobicContact CD1-CB 4.22Å; F295-F326 AromaticContact CD1-CD1 3.93Å; F295-F326 HydrophobicContact CD1-CD1 3.93Å; F295-F326 HydrophobicContact CD1-CG 4.16Å; F295-F326 HydrophobicContact CD2-CB 4.29Å; F295-F326 AromaticContact CD2-CD1 3.92Å; F295-F326 HydrophobicContact CD2-CD1 3.92Å; F295-F326 AromaticContact CD2-CD2 3.84Å; F295-F326 HydrophobicContact CD2-CD2 3.84Å; F295-F326 HydrophobicContact CD2-CE1 4.13Å; F295-F326 HydrophobicContact CD2-CE2 4.06Å; F295-F326 AromaticContact CD2-CG 3.75Å; F295-F326 HydrophobicContact CD2-CG 3.75Å; F295-F326 HydrophobicContact CD2-CZ 4.19Å; F295-F326 HydrophobicContact CE1-CB 3.92Å; F295-F326 HydrophobicContact CE1-CD1 4.48Å; F295-F326 HydrophobicContact CE1-CG 4.3Å; F295-F326 HydrophobicContact CE2-CB 3.99Å; F295-F326 HydrophobicContact CE2-CD1 4.47Å; F295-F326 AromaticContact CE2-CD2 3.97Å; F295-F326 HydrophobicContact CE2-CD2 3.97Å; F295-F326 AromaticContact CE2-CG 3.9Å; F295-F326 HydrophobicContact CE2-CG 3.9Å; F295-F326 HydrophobicContact CG-CB 4.4Å; F295-F326 AromaticContact CG-CD1 3.62Å; F295-F326 HydrophobicContact CG-CD1 3.62Å; F295-F326 HydrophobicContact CG-CD2 4.39Å; F295-F326 AromaticContact CG-CE1 3.86Å; F295-F326 HydrophobicContact CG-CE1 3.86Å; F295-F326 AromaticContact CG-CG 3.89Å; F295-F326 HydrophobicContact CG-CG 3.89Å; F295-F326 HydrophobicContact CG-CZ 4.35Å; F295-F326 HydrophobicContact CZ-CB 3.79Å; F295-F326 HydrophobicContact CZ-CG 4.17Å; F295-H342 PolarHBondContact N-O 3.12Å; F295-L343 HydrophobicContact CB-CD2 3.92Å; F295-L343 WeakPolarHBondContact CD1-O 3.41Å
296	G	97.9	Very high	96.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-45.6	-47.2	-169.9	0	0	0	0	0	116.9	T298 S299 H342 L343 T344 C345	G296-T298 PolarHBondContact O-N 2.91Å; G296-T298 VanDerWaalsContact O-N 3.09Å; G296-S299 WeakPolarHBondContact O-CB 3.19Å; G296-S299 PolarHBondContact O-N 2.95Å; G296-H342 PolarHBondContact N-O 3.09Å; G296-L343 VanDerWaalsContact CA-C 3.41Å; G296-L343 WeakPolarHBondContact CA-O 3.37Å; G296-L343 PolarHBondContact N-O 2.92Å; G296-T344 VanDerWaalsContact CA-C 3.46Å; G296-C345 WeakPolarHBondContact O-CB 3.4Å
297	P	97.7	Very high	96.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.7	-17.5	-179.8	-19.7	29.8	0	0	0	114.9	I274 W279 I294 F295 S299 F300 I301 M348 L352	I274-P297 HydrophobicContact CD1-CB 3.81Å; I274-P297 HydrophobicContact CG1-CB 4.26Å; I274-P297 HydrophobicContact CG2-CB 4.02Å; I274-P297 HydrophobicContact CG2-CG 4.05Å; W279-P297 HydrophobicContact CH2-CB 4.18Å; W279-P297 HydrophobicContact CH2-CG 3.62Å; W279-P297 HydrophobicContact CZ2-CG 3.99Å; W279-P297 HydrophobicContact CZ3-CB 4.4Å; W279-P297 HydrophobicContact CZ3-CG 4.32Å; I294-P297 HydrophobicContact CD1-CG 3.67Å; I294-P297 HydrophobicContact CG1-CG 4.08Å; F295-P297 VanDerWaalsContact C-CD 3.46Å; F295-P297 VanDerWaalsContact O-N 3.08Å; P297-S299 VanDerWaalsContact C-N 3.29Å; P297-S299 PolarHBondContact O-N 2.86Å; P297-F300 WeakPolarHBondContact O-CB 3.46Å; P297-F300 PolarHBondContact O-N 3.48Å; P297-I301 PolarHBondContact O-N 2.64Å; P297-M348 HydrophobicContact CB-CE 4.47Å; P297-M348 HydrophobicContact CB-SD 4.03Å; P297-M348 HydrophobicContact CG-CE 4.48Å; P297-M348 HydrophobicContact CG-SD 3.84Å; P297-L352 HydrophobicContact CB-CD1 4.37Å
298	T	98.3	Very high	96.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.4	-32	174.1	70.4	0	0	0	0	111.8	H115 M271 I274 V275 F295 G296 F300 I301 I302	H115-T298 PolarHBondContact CE1-OG1 3.15Å; H115-T298 VanDerWaalsContact NE2-CB 3.34Å; H115-T298 WeakPolarHBondContact NE2-CB 3.28Å; H115-T298 PolarHBondContact NE2-OG1 2.72Å; M271-T298 HydrophobicContact CB-CG2 3.85Å; M271-T298 HydrophobicContact CG-CG2 4.14Å; I274-T298 HydrophobicContact CB-CG2 4.09Å; I274-T298 HydrophobicContact CD1-CG2 4.3Å; I274-T298 HydrophobicContact CG2-CG2 3.96Å; V275-T298 HydrophobicContact CG2-CG2 4.02Å; F295-T298 WeakPolarHBondContact O-CB 3.31Å; F295-T298 WeakPolarHBondContact O-CG2 3.22Å; F295-T298 PolarHBondContact O-N 3.36Å; F295-T298 PolarHBondContact O-OG1 3.02Å; G296-T298 PolarHBondContact O-N 2.91Å; G296-T298 VanDerWaalsContact O-N 3.09Å; T298-F300 VanDerWaalsContact C-N 3.28Å; T298-F300 PolarHBondContact O-N 3.13Å; T298-I301 PolarHBondContact O-N 2.78Å; T298-I302 PolarHBondContact O-N 3.48Å; T298-I302 VanDerWaalsContact O-N 3.12Å
299	S	97.7	Very high	96.1	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.4	-28.5	174.3	-60.6	0	0	0	0	112.8	G296 P297 N304 E305	G296-S299 WeakPolarHBondContact O-CB 3.19Å; G296-S299 PolarHBondContact O-N 2.95Å; P297-S299 VanDerWaalsContact C-N 3.29Å; P297-S299 PolarHBondContact O-N 2.86Å; S299-N304 PolarHBondContact O-N 3.31Å; S299-E305 WeakPolarHBondContact CB-O 3.15Å; S299-E305 PolarHBondContact O-N 2.88Å
300	F	95.7	Very high	96	Very high	6 Å²	6	31.5 Å²	31.5	3%	0.026	18%	0.177	C	C	.	.	H	α-helix	trans	-67.5	-42.9	170	-179.7	-89.7	0	0	0	111.7	K268 P297 T298 N304 C345 L352 D353	K268-F300 HydrophobicContact CD-CD1 4.44Å; K268-F300 HydrophobicContact CD-CE1 4.08Å; K268-F300 HydrophobicContact CG-CE1 4.43Å; P297-F300 WeakPolarHBondContact O-CB 3.46Å; P297-F300 PolarHBondContact O-N 3.48Å; T298-F300 VanDerWaalsContact C-N 3.28Å; T298-F300 PolarHBondContact O-N 3.13Å; F300-N304 WeakPolarHBondContact CD2-OD1 3.35Å; F300-N304 WeakPolarHBondContact CE2-OD1 3.11Å; F300-N304 WeakPolarHBondContact O-CA 3.1Å; F300-N304 PolarHBondContact O-N 2.76Å; F300-C345 HydrophobicContact CB-CB 4.28Å; F300-L352 HydrophobicContact CD1-CB 3.81Å; F300-L352 HydrophobicContact CD1-CD1 3.73Å; F300-L352 HydrophobicContact CD1-CG 3.82Å; F300-L352 HydrophobicContact CE1-CB 3.57Å; F300-L352 HydrophobicContact CE1-CD1 4.36Å; F300-L352 HydrophobicContact CE1-CG 4.11Å; F300-L352 HydrophobicContact CG-CD1 4.5Å; F300-L352 HydrophobicContact CZ-CB 4.41Å; F300-D353 HydrophobicContact CZ-CB 4.41Å; F300-D353 VanDerWaalsContact CZ-OD2 3.31Å; F300-D353 WeakPolarHBondContact CZ-OD2 3.48Å
301	I	96.8	Very high	95.9	Very high	13 Å²	13	37.9 Å²	37.9	7%	0.067	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-46.5	-177.7	-67.9	172.7	0	0	0	111.2	F260 K268 P269 M271 I274 P297 T298 L352	F260-I301 HydrophobicContact CE1-CG2 4.35Å; K268-I301 HydrophobicContact CB-CG1 4.25Å; K268-I301 HydrophobicContact CD-CG1 4.5Å; P269-I301 HydrophobicContact CG-CD1 4.3Å; P269-I301 WeakPolarHBondContact O-CD1 3.46Å; M271-I301 HydrophobicContact CG-CB 3.87Å; M271-I301 HydrophobicContact CG-CD1 3.83Å; M271-I301 HydrophobicContact CG-CG1 4.46Å; M271-I301 HydrophobicContact CG-CG2 3.8Å; M271-I301 HydrophobicContact SD-CB 4.37Å; M271-I301 HydrophobicContact SD-CG2 4.3Å; I274-I301 HydrophobicContact CD1-CD1 3.25Å; I274-I301 HydrophobicContact CD1-CG1 4.3Å; P297-I301 PolarHBondContact O-N 2.64Å; T298-I301 PolarHBondContact O-N 2.78Å; I301-L352 HydrophobicContact CD1-CD1 4.4Å; I301-L352 HydrophobicContact CG1-CD1 4.03Å
302	I	95.8	Very high	95.7	Very high	21 Å²	21	38 Å²	38	11%	0.108	23%	0.226	C	C	.	.	H	α-helix	trans	-69.2	-44.7	-170.8	-162.4	166.9	0	0	0	112.8	H115 E119 I213 F260 M271 T298	H115-I302 HydrophobicContact CB-CD1 3.81Å; E119-I302 HydrophobicContact CG-CD1 3.7Å; E119-I302 WeakPolarHBondContact OE1-CD1 3.35Å; E119-I302 VanDerWaalsContact OE1-CG1 3.3Å; E119-I302 WeakPolarHBondContact OE1-CG1 3.44Å; I213-I302 HydrophobicContact CB-CD1 4.23Å; F260-I302 HydrophobicContact CE1-CG1 4.36Å; M271-I302 HydrophobicContact SD-CB 4.17Å; T298-I302 PolarHBondContact O-N 3.48Å; T298-I302 VanDerWaalsContact O-N 3.12Å
303	N	91.4	Very high	95.6	Very high	99 Å²	99	39.4 Å²	39.4	53%	0.529	23%	0.228	S	C	.	.	H	α-helix	trans	-153.9	22.1	-177.6	-160.4	31.1	0	0	0	114.7	E305	N303-E305 HydrophobicContact CB-CG 4Å; N303-E305 PolarHBondContact ND2-OE1 3.45Å; N303-E305 PolarHBondContact O-N 3.47Å; N303-E305 VanDerWaalsContact O-N 3.17Å
304	N	91.2	Very high	95.4	Very high	105 Å²	105	39 Å²	39	56%	0.561	23%	0.226	S	C	*	.			trans	52.4	37.3	-177.3	-170.8	35.7	0	0	0	113.2	S299 F300	S299-N304 PolarHBondContact O-N 3.31Å; F300-N304 WeakPolarHBondContact CD2-OD1 3.35Å; F300-N304 WeakPolarHBondContact CE2-OD1 3.11Å; F300-N304 WeakPolarHBondContact O-CA 3.1Å; F300-N304 PolarHBondContact O-N 2.76Å
305	E	88.7	Confident	95.1	Very high	34 Å²	34	39.1 Å²	39.1	16%	0.159	23%	0.231	C	C	.	.			trans	-97.5	101	-179.5	-69.5	169.9	-178.3	0	0	108.6	S299 N303 G318 E319 R322 C345	S299-E305 WeakPolarHBondContact CB-O 3.15Å; S299-E305 PolarHBondContact O-N 2.88Å; N303-E305 HydrophobicContact CB-CG 4Å; N303-E305 PolarHBondContact ND2-OE1 3.45Å; N303-E305 PolarHBondContact O-N 3.47Å; N303-E305 VanDerWaalsContact O-N 3.17Å; E305-G318 VanDerWaalsContact OE2-C 3.32Å; E305-G318 WeakPolarHBondContact OE2-CA 3.39Å; E305-E319 HydrophobicContact CB-CB 4.2Å; E305-E319 WeakPolarHBondContact O-CB 3.49Å; E305-E319 VanDerWaalsContact O-CD 3.28Å; E305-E319 PolarHBondContact OE2-N 2.91Å; E305-R322 IonicContact OE1-NH2 3.85Å; E305-R322 IonicContact OE2-CZ 3.28Å; E305-R322 VanDerWaalsContact OE2-CZ 3.24Å; E305-R322 IonicContact OE2-NH1 3.1Å; E305-R322 PolarHBondContact OE2-NH1 3.28Å; E305-R322 IonicContact OE2-NH2 3.33Å; E305-R322 PolarHBondContact OE2-NH2 3.26Å; E305-C345 PolarHBondContact O-SG 3.08Å; E305-C345 VanDerWaalsContact O-SG 3.36Å
306	C	94.3	Very high	94.8	Very high	32 Å²	32	40.5 Å²	40.5	22%	0.216	25%	0.245	C	C	.	.			trans	-123.8	47.1	-179.5	-63	0	0	0	0	112	E319 C345 K346	C306-E319 WeakPolarHBondContact CA-OE2 3.4Å; C306-C345 WeakPolarHBondContact CA-SG 3.39Å; C306-C345 HydrophobicContact CB-CB 4.04Å; C306-C345 WeakPolarHBondContact CB-SG 3.43Å; C306-C345 WeakPolarHBondContact SG-CB 3.37Å; C306-C345 CovalentContact SG-SG 2.04Å; C306-C345 PolarHBondContact SG-SG 3.36Å; C306-K346 WeakPolarHBondContact O-CA 3.5Å; C306-K346 VanDerWaalsContact O-CB 3.24Å; C306-K346 WeakPolarHBondContact O-CB 3.43Å; C306-K346 WeakPolarHBondContact O-CG 3.12Å
307	N	95.3	Very high	94.6	Very high	115 Å²	115	44.9 Å²	44.9	62%	0.615	27%	0.273	S	S	*	.			trans	-91.6	-14.2	-173.2	-63.7	-46.2	0	0	0	114.3	E319 K346	N307-E319 PolarHBondContact N-OE2 2.92Å; N307-K346 WeakPolarHBondContact O-CD 3.4Å; N307-K346 WeakPolarHBondContact O-CE 3.48Å; N307-K346 PolarHBondContact O-NZ 3.25Å
308	G	96.5	Very high	94.5	Very high	6 Å²	6	45 Å²	45	6%	0.062	28%	0.275	C	S	.	.			trans	92	-177.4	-176.3	0	0	0	0	0	113.7	E319 S320 T344	G308-E319 WeakPolarHBondContact CA-OE2 3.4Å; G308-E319 PolarHBondContact N-OE2 3.49Å; G308-S320 WeakPolarHBondContact O-CA 3.48Å; G308-S320 PolarHBondContact O-N 3.24Å; G308-T344 WeakPolarHBondContact CA-OG1 3.36Å
309	E	96.3	Very high	94.4	Very high	73 Å²	73	45.1 Å²	45.1	34%	0.341	28%	0.275	S	S	.	.			trans	-87.7	131.4	171.4	-173.2	177.1	-169.2	0	0	110.6	I323 K324 K327	E309-I323 HydrophobicContact CB-CB 4.44Å; E309-I323 HydrophobicContact CB-CD1 3.97Å; E309-I323 HydrophobicContact CB-CG2 4.14Å; E309-I323 HydrophobicContact CG-CG2 4.14Å; E309-I323 WeakPolarHBondContact OE2-CG2 3.32Å; E309-K324 HydrophobicContact CG-CD 4.5Å; E309-K324 HydrophobicContact CG-CG 4.08Å; E309-K324 VanDerWaalsContact OE1-CG 3.26Å; E309-K324 WeakPolarHBondContact OE1-CG 3.43Å; E309-K327 VanDerWaalsContact CD-NZ 3.27Å; E309-K327 IonicContact OE1-NZ 3.58Å; E309-K327 PolarHBondContact OE1-NZ 2.77Å; E309-K327 VanDerWaalsContact OE1-NZ 3.1Å; E309-K327 IonicContact OE2-NZ 2.57Å; E309-K327 PolarHBondContact OE2-NZ 3.49Å
310	D	96	Very high	94.4	Very high	61 Å²	61	45.2 Å²	45.2	33%	0.326	28%	0.276	S	S	.	.			trans	-80.3	145	176.4	-65.8	-41.6	0	0	0	111.4	G312 G316 S320 K324	D310-G312 VanDerWaalsContact C-N 3.3Å; D310-G312 PolarHBondContact O-N 3.23Å; D310-G316 WeakPolarHBondContact OD2-CA 3.16Å; D310-G316 PolarHBondContact OD2-N 3.38Å; D310-S320 WeakPolarHBondContact CB-OG 3.28Å; D310-S320 PolarHBondContact N-OG 3.04Å; D310-S320 WeakPolarHBondContact OD2-CB 3.36Å; D310-S320 PolarHBondContact OD2-OG 3.13Å; D310-K324 VanDerWaalsContact O-CE 3.29Å; D310-K324 WeakPolarHBondContact O-CE 3.2Å; D310-K324 PolarHBondContact O-NZ 2.96Å
311	P	94.8	Very high	94.5	Very high	135 Å²	135	46.5 Å²	46.5	88%	0.877	28%	0.28	S	S	*	.	S	Bend	trans	-68.1	-27.5	179	27.1	-34.9	0	0	0	113.4
312	G	92.7	Very high	94.6	Very high	41 Å²	41	45.9 Å²	45.9	42%	0.423	28%	0.277	S	S	.	.	S	Bend	trans	-90.7	155.8	179.1	0	0	0	0	0	112.8	D310 P314 G315 K324	D310-G312 VanDerWaalsContact C-N 3.3Å; D310-G312 PolarHBondContact O-N 3.23Å; G312-P314 CarbonylContact O-C 3.51Å; G312-G315 WeakPolarHBondContact O-CA 3.49Å; G312-G315 PolarHBondContact O-N 2.81Å; G312-K324 PolarHBondContact O-NZ 2.58Å
313	D	94.7	Very high	94.7	Very high	54 Å²	54	45 Å²	45	29%	0.289	27%	0.273	S	S	.	.	S	Bend	trans	-107.1	141.7	-179.9	-58.5	-60.2	0	0	0	112.7	Y128 K134 G315 K324	Y128-D313 HydrophobicContact CD1-CB 3.47Å; Y128-D313 VanDerWaalsContact CD1-CB 3.47Å; Y128-D313 HydrophobicContact CE1-CB 3.41Å; Y128-D313 VanDerWaalsContact CE1-CB 3.41Å; Y128-D313 HydrophobicContact CG-CB 4.19Å; K134-D313 VanDerWaalsContact CD-OD2 3.23Å; K134-D313 WeakPolarHBondContact CD-OD2 3.46Å; K134-D313 VanDerWaalsContact CE-CG 3.5Å; K134-D313 WeakPolarHBondContact CE-OD2 3.35Å; D313-G315 VanDerWaalsContact CA-N 3.34Å; D313-K324 IonicContact OD1-NZ 3.9Å; D313-K324 PolarHBondContact OD1-NZ 3.2Å
314	P	93.6	Very high	95	Very high	9 Å²	9	41 Å²	41	6%	0.058	25%	0.251	C	S	.	.	S	Bend	cis	-73	0.8	-6.2	32.4	-32.3	0	0	0	112.6	A125 Y128 F141 G312	A125-P314 HydrophobicContact CB-CG 3.96Å; Y128-P314 HydrophobicContact CD2-CB 4.14Å; Y128-P314 VanDerWaalsContact CD2-CD 3.46Å; Y128-P314 HydrophobicContact CD2-CG 4.04Å; Y128-P314 HydrophobicContact CE2-CB 3.6Å; Y128-P314 HydrophobicContact CE2-CG 3.98Å; F141-P314 HydrophobicContact CD2-CB 4.2Å; F141-P314 HydrophobicContact CD2-CG 4.43Å; F141-P314 HydrophobicContact CE1-CB 4.11Å; F141-P314 HydrophobicContact CE2-CB 3.74Å; F141-P314 HydrophobicContact CE2-CG 3.79Å; F141-P314 HydrophobicContact CZ-CB 3.7Å; F141-P314 HydrophobicContact CZ-CG 4.08Å; G312-P314 CarbonylContact O-C 3.51Å
315	G	92.4	Very high	95.4	Very high	18 Å²	18	36 Å²	36	19%	0.186	22%	0.224	C	C	.	.			trans	82.1	176.8	-173.2	0	0	0	0	0	112.5	G312 D313 R321	G312-G315 WeakPolarHBondContact O-CA 3.49Å; G312-G315 PolarHBondContact O-N 2.81Å; D313-G315 VanDerWaalsContact CA-N 3.34Å; G315-R321 PolarHBondContact O-NE 3.27Å; G315-R321 PolarHBondContact O-NH2 2.78Å
316	G	93.2	Very high	95.8	Very high	29 Å²	29	34.3 Å²	34.3	30%	0.299	22%	0.216	S	C	.	.	S	Bend	trans	-57.8	155.3	169.5	0	0	0	0	0	111.5	D310 R321	D310-G316 WeakPolarHBondContact OD2-CA 3.16Å; D310-G316 PolarHBondContact OD2-N 3.38Å; G316-R321 WeakPolarHBondContact O-CG 3.3Å
317	P	93.5	Very high	96	Very high	92 Å²	92	35.2 Å²	35.2	60%	0.597	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	170.8	174.4	31.3	-36	0	0	0	110.8
318	G	95.6	Very high	96.2	Very high	3 Å²	3	30.3 Å²	30.3	3%	0.031	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-138.2	173.5	0	0	0	0	0	113	Q118 E305 S320 R321 R322	Q118-G318 VanDerWaalsContact CD-N 3.34Å; E305-G318 VanDerWaalsContact OE2-C 3.32Å; E305-G318 WeakPolarHBondContact OE2-CA 3.39Å; G318-S320 VanDerWaalsContact C-N 3.3Å; G318-S320 PolarHBondContact O-N 3.33Å; G318-R321 PolarHBondContact O-N 3.21Å; G318-R322 PolarHBondContact O-N 2.96Å; G318-R322 PolarHBondContact O-NH1 3.29Å
319	E	97.3	Very high	96.3	Very high	1 Å²	1	30 Å²	30	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-55.4	-42.3	-172.8	-171.1	177.9	-148.2	0	0	113.1	E305 C306 N307 G308 R321 R322 I323 T344 C345	E305-E319 HydrophobicContact CB-CB 4.2Å; E305-E319 WeakPolarHBondContact O-CB 3.49Å; E305-E319 VanDerWaalsContact O-CD 3.28Å; E305-E319 PolarHBondContact OE2-N 2.91Å; C306-E319 WeakPolarHBondContact CA-OE2 3.4Å; N307-E319 PolarHBondContact N-OE2 2.92Å; G308-E319 WeakPolarHBondContact CA-OE2 3.4Å; G308-E319 PolarHBondContact N-OE2 3.49Å; E319-R321 VanDerWaalsContact C-N 3.34Å; E319-R321 PolarHBondContact O-N 3.14Å; E319-R322 WeakPolarHBondContact O-CB 3.42Å; E319-R322 PolarHBondContact O-N 3.13Å; E319-I323 HydrophobicContact CG-CD1 3.8Å; E319-I323 HydrophobicContact CG-CG1 4.2Å; E319-I323 WeakPolarHBondContact O-CG1 3.44Å; E319-I323 PolarHBondContact O-N 2.94Å; E319-T344 WeakPolarHBondContact OE1-CA 3.37Å; E319-T344 WeakPolarHBondContact OE1-CB 3.49Å; E319-T344 PolarHBondContact OE1-OG1 2.83Å; E319-T344 PolarHBondContact OE2-OG1 3.45Å; E319-C345 PolarHBondContact OE1-N 2.89Å; E319-C345 PolarHBondContact OE1-SG 3.26Å
320	S	97.4	Very high	96.4	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-53	-50.1	179.1	173.5	0	0	0	0	112.1	G308 D310 G318 R322 I323 K324	G308-S320 WeakPolarHBondContact O-CA 3.48Å; G308-S320 PolarHBondContact O-N 3.24Å; D310-S320 WeakPolarHBondContact CB-OG 3.28Å; D310-S320 PolarHBondContact N-OG 3.04Å; D310-S320 WeakPolarHBondContact OD2-CB 3.36Å; D310-S320 PolarHBondContact OD2-OG 3.13Å; G318-S320 VanDerWaalsContact C-N 3.3Å; G318-S320 PolarHBondContact O-N 3.33Å; S320-R322 VanDerWaalsContact C-N 3.34Å; S320-R322 PolarHBondContact O-N 2.94Å; S320-I323 PolarHBondContact O-N 3.18Å; S320-K324 WeakPolarHBondContact O-CG 3.47Å; S320-K324 PolarHBondContact O-N 3.26Å
321	R	97	Very high	96.5	Very high	32 Å²	32	30 Å²	30	12%	0.121	18%	0.183	C	C	.	.	H	α-helix	trans	-67.7	-32.6	178.4	-74.9	178.9	-169.6	176.2	5.6	113.1	Q118 N123 G315 G316 G318 E319 A325	Q118-R321 HydrophobicContact CB-CB 4.45Å; Q118-R321 HydrophobicContact CG-CB 4.4Å; Q118-R321 VanDerWaalsContact OE1-CB 3.23Å; N123-R321 PolarHBondContact OD1-NH1 3.04Å; G315-R321 PolarHBondContact O-NE 3.27Å; G315-R321 PolarHBondContact O-NH2 2.78Å; G316-R321 WeakPolarHBondContact O-CG 3.3Å; G318-R321 PolarHBondContact O-N 3.21Å; E319-R321 VanDerWaalsContact C-N 3.34Å; E319-R321 PolarHBondContact O-N 3.14Å; R321-A325 WeakPolarHBondContact O-CB 3.31Å; R321-A325 PolarHBondContact O-N 3.3Å
322	R	98.1	Very high	96.7	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-64.2	-45.4	173	-76.5	176.9	-171.1	81.1	-10.1	111.4	H115 Q118 E119 F295 E305 G318 E319 S320 A325 F326	H115-R322 WeakPolarHBondContact ND1-CD 3.47Å; H115-R322 PolarHBondContact ND1-NE 2.86Å; Q118-R322 HydrophobicContact CB-CG 3.72Å; Q118-R322 HydrophobicContact CG-CG 4Å; E119-R322 IonicContact OE1-CZ 3.95Å; E119-R322 IonicContact OE1-NE 2.92Å; E119-R322 IonicContact OE1-NH2 2.64Å; E119-R322 PolarHBondContact OE1-NH2 3.48Å; F295-R322 HydrophobicContact CE1-CB 4.11Å; F295-R322 HydrophobicContact CZ-CB 3.99Å; E305-R322 IonicContact OE1-NH2 3.85Å; E305-R322 IonicContact OE2-CZ 3.28Å; E305-R322 VanDerWaalsContact OE2-CZ 3.24Å; E305-R322 IonicContact OE2-NH1 3.1Å; E305-R322 PolarHBondContact OE2-NH1 3.28Å; E305-R322 IonicContact OE2-NH2 3.33Å; E305-R322 PolarHBondContact OE2-NH2 3.26Å; G318-R322 PolarHBondContact O-N 2.96Å; G318-R322 PolarHBondContact O-NH1 3.29Å; E319-R322 WeakPolarHBondContact O-CB 3.42Å; E319-R322 PolarHBondContact O-N 3.13Å; S320-R322 VanDerWaalsContact C-N 3.34Å; S320-R322 PolarHBondContact O-N 2.94Å; R322-A325 PolarHBondContact O-N 2.9Å; R322-F326 VanDerWaalsContact O-CB 3.3Å; R322-F326 WeakPolarHBondContact O-CB 3.36Å; R322-F326 PolarHBondContact O-N 2.87Å
323	I	98.4	Very high	97	Very high	2 Å²	2	25 Å²	25	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-60	-50.4	178.2	-68.6	169.5	0	0	0	110.4	F295 E309 E319 S320 A325 F326 K327 L343	F295-I323 HydrophobicContact CD1-CG1 4.47Å; F295-I323 HydrophobicContact CE1-CG1 4.25Å; E309-I323 HydrophobicContact CB-CB 4.44Å; E309-I323 HydrophobicContact CB-CD1 3.97Å; E309-I323 HydrophobicContact CB-CG2 4.14Å; E309-I323 HydrophobicContact CG-CG2 4.14Å; E309-I323 WeakPolarHBondContact OE2-CG2 3.32Å; E319-I323 HydrophobicContact CG-CD1 3.8Å; E319-I323 HydrophobicContact CG-CG1 4.2Å; E319-I323 WeakPolarHBondContact O-CG1 3.44Å; E319-I323 PolarHBondContact O-N 2.94Å; S320-I323 PolarHBondContact O-N 3.18Å; I323-A325 PolarHBondContact O-N 2.96Å; I323-F326 PolarHBondContact O-N 3.46Å; I323-K327 HydrophobicContact CG2-CD 4.26Å; I323-K327 WeakPolarHBondContact O-CG 3.47Å; I323-K327 PolarHBondContact O-N 2.65Å; I323-L343 WeakPolarHBondContact CD1-O 3.17Å; I323-L343 HydrophobicContact CG1-CB 4.26Å; I323-L343 WeakPolarHBondContact CG1-O 3.31Å; I323-L343 HydrophobicContact CG2-CB 3.96Å; I323-L343 HydrophobicContact CG2-CD1 4.13Å
324	K	98.2	Very high	97.1	Very high	14 Å²	14	29.1 Å²	29.1	6%	0.061	16%	0.156	C	C	.	.	H	α-helix	trans	-65.9	-40.7	-178.4	-63.1	178.9	179	-160.1	0	112.3	Y142 E309 D310 G312 D313 S320 F326 K327 W328	Y142-K324 HydrophobicContact CE1-CB 4.21Å; Y142-K324 WeakPolarHBondContact OH-CB 3.36Å; E309-K324 HydrophobicContact CG-CD 4.5Å; E309-K324 HydrophobicContact CG-CG 4.08Å; E309-K324 VanDerWaalsContact OE1-CG 3.26Å; E309-K324 WeakPolarHBondContact OE1-CG 3.43Å; D310-K324 VanDerWaalsContact O-CE 3.29Å; D310-K324 WeakPolarHBondContact O-CE 3.2Å; D310-K324 PolarHBondContact O-NZ 2.96Å; G312-K324 PolarHBondContact O-NZ 2.58Å; D313-K324 IonicContact OD1-NZ 3.9Å; D313-K324 PolarHBondContact OD1-NZ 3.2Å; S320-K324 WeakPolarHBondContact O-CG 3.47Å; S320-K324 PolarHBondContact O-N 3.26Å; K324-F326 PolarHBondContact O-N 2.88Å; K324-K327 PolarHBondContact O-N 2.57Å; K324-W328 WeakPolarHBondContact O-CB 3.25Å; K324-W328 PolarHBondContact O-N 3.15Å
325	A	98.5	Very high	97.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.9	-43.2	173.7	0	0	0	0	0	111.5	A114 V117 Y142 R321 R322 I323 W328 F329	A114-A325 HydrophobicContact CB-CB 3.91Å; V117-A325 HydrophobicContact CB-CB 4.27Å; V117-A325 HydrophobicContact CG1-CB 4.37Å; Y142-A325 VanDerWaalsContact CD1-CA 3.48Å; Y142-A325 HydrophobicContact CD1-CB 3.56Å; Y142-A325 VanDerWaalsContact CE1-CA 3.47Å; Y142-A325 HydrophobicContact CE1-CB 3.73Å; R321-A325 WeakPolarHBondContact O-CB 3.31Å; R321-A325 PolarHBondContact O-N 3.3Å; R322-A325 PolarHBondContact O-N 2.9Å; I323-A325 PolarHBondContact O-N 2.96Å; A325-W328 PolarHBondContact O-N 3.22Å; A325-F329 HydrophobicContact CB-CD2 4.45Å; A325-F329 HydrophobicContact CB-CE2 4.31Å; A325-F329 WeakPolarHBondContact O-CD2 3.36Å; A325-F329 PolarHBondContact O-N 2.78Å
326	F	98.8	Very high	97.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.1	-46.9	177.7	-179.9	-118.3	0	0	0	111.9	A110 A111 A114 F295 R322 I323 K324 W328 F329 C330 A337 L343	A110-F326 HydrophobicContact CB-CD2 3.94Å; A110-F326 HydrophobicContact CB-CE2 3.9Å; A111-F326 HydrophobicContact CB-CD2 4.1Å; A111-F326 HydrophobicContact CB-CE2 3.88Å; A114-F326 HydrophobicContact CB-CB 3.75Å; F295-F326 HydrophobicContact CB-CD1 3.85Å; F295-F326 HydrophobicContact CB-CE1 3.62Å; F295-F326 HydrophobicContact CB-CZ 4.16Å; F295-F326 HydrophobicContact CD1-CB 4.22Å; F295-F326 AromaticContact CD1-CD1 3.93Å; F295-F326 HydrophobicContact CD1-CD1 3.93Å; F295-F326 HydrophobicContact CD1-CG 4.16Å; F295-F326 HydrophobicContact CD2-CB 4.29Å; F295-F326 AromaticContact CD2-CD1 3.92Å; F295-F326 HydrophobicContact CD2-CD1 3.92Å; F295-F326 AromaticContact CD2-CD2 3.84Å; F295-F326 HydrophobicContact CD2-CD2 3.84Å; F295-F326 HydrophobicContact CD2-CE1 4.13Å; F295-F326 HydrophobicContact CD2-CE2 4.06Å; F295-F326 AromaticContact CD2-CG 3.75Å; F295-F326 HydrophobicContact CD2-CG 3.75Å; F295-F326 HydrophobicContact CD2-CZ 4.19Å; F295-F326 HydrophobicContact CE1-CB 3.92Å; F295-F326 HydrophobicContact CE1-CD1 4.48Å; F295-F326 HydrophobicContact CE1-CG 4.3Å; F295-F326 HydrophobicContact CE2-CB 3.99Å; F295-F326 HydrophobicContact CE2-CD1 4.47Å; F295-F326 AromaticContact CE2-CD2 3.97Å; F295-F326 HydrophobicContact CE2-CD2 3.97Å; F295-F326 AromaticContact CE2-CG 3.9Å; F295-F326 HydrophobicContact CE2-CG 3.9Å; F295-F326 HydrophobicContact CG-CB 4.4Å; F295-F326 AromaticContact CG-CD1 3.62Å; F295-F326 HydrophobicContact CG-CD1 3.62Å; F295-F326 HydrophobicContact CG-CD2 4.39Å; F295-F326 AromaticContact CG-CE1 3.86Å; F295-F326 HydrophobicContact CG-CE1 3.86Å; F295-F326 AromaticContact CG-CG 3.89Å; F295-F326 HydrophobicContact CG-CG 3.89Å; F295-F326 HydrophobicContact CG-CZ 4.35Å; F295-F326 HydrophobicContact CZ-CB 3.79Å; F295-F326 HydrophobicContact CZ-CG 4.17Å; R322-F326 VanDerWaalsContact O-CB 3.3Å; R322-F326 WeakPolarHBondContact O-CB 3.36Å; R322-F326 PolarHBondContact O-N 2.87Å; I323-F326 PolarHBondContact O-N 3.46Å; K324-F326 PolarHBondContact O-N 2.88Å; F326-W328 VanDerWaalsContact C-N 3.29Å; F326-W328 PolarHBondContact O-N 3.35Å; F326-F329 PolarHBondContact O-N 3.31Å; F326-C330 VanDerWaalsContact CE2-SG 3.59Å; F326-C330 VanDerWaalsContact O-CB 3.31Å; F326-C330 WeakPolarHBondContact O-CB 3.15Å; F326-C330 PolarHBondContact O-N 3.37Å; F326-C330 PolarHBondContact O-SG 2.92Å; F326-C330 VanDerWaalsContact O-SG 3.4Å; F326-A337 HydrophobicContact CD1-CB 4.45Å; F326-A337 HydrophobicContact CE1-CB 4.29Å; F326-A337 WeakPolarHBondContact CE1-O 3.4Å; F326-L343 HydrophobicContact CD1-CD2 3.92Å; F326-L343 HydrophobicContact CE1-CD2 3.84Å
327	K	98.7	Very high	97.9	Very high	50 Å²	50	30.4 Å²	30.4	22%	0.217	16%	0.157	C	C	.	.	H	α-helix	trans	-56.2	-44.6	173.2	-71.2	173.9	176.5	-179.2	0	111.7	E309 I323 K324 C330 K331 A337 E340 L343	E309-K327 VanDerWaalsContact CD-NZ 3.27Å; E309-K327 IonicContact OE1-NZ 3.58Å; E309-K327 PolarHBondContact OE1-NZ 2.77Å; E309-K327 VanDerWaalsContact OE1-NZ 3.1Å; E309-K327 IonicContact OE2-NZ 2.57Å; E309-K327 PolarHBondContact OE2-NZ 3.49Å; I323-K327 HydrophobicContact CG2-CD 4.26Å; I323-K327 WeakPolarHBondContact O-CG 3.47Å; I323-K327 PolarHBondContact O-N 2.65Å; K324-K327 PolarHBondContact O-N 2.57Å; K327-C330 PolarHBondContact O-N 2.92Å; K327-K331 WeakPolarHBondContact O-CB 3.21Å; K327-K331 PolarHBondContact O-N 2.9Å; K327-A337 HydrophobicContact CG-CB 4.15Å; K327-E340 VanDerWaalsContact CE-OE1 3.23Å; K327-E340 WeakPolarHBondContact CE-OE1 3.28Å; K327-E340 WeakPolarHBondContact CE-OE2 3.29Å; K327-E340 IonicContact NZ-OE1 2.68Å; K327-E340 PolarHBondContact NZ-OE1 3.28Å; K327-E340 IonicContact NZ-OE2 2.67Å; K327-E340 PolarHBondContact NZ-OE2 3.41Å; K327-L343 HydrophobicContact CD-CD1 4.23Å; K327-L343 HydrophobicContact CG-CD1 3.99Å
328	W	98.4	Very high	98.1	Very high	12 Å²	12	27.4 Å²	27.4	5%	0.045	14%	0.143	C	C	.	.	H	α-helix	trans	-65.4	-46.4	-179.9	-174	86.4	0	0	0	112.4	L59 E139 Y142 R143 K324 A325 F326 K331 Y332	L59-W328 HydrophobicContact CD2-CH2 3.75Å; L59-W328 HydrophobicContact CD2-CZ3 3.7Å; E139-W328 PolarHBondContact OE1-NE1 3.42Å; Y142-W328 VanDerWaalsContact CB-CD2 3.48Å; Y142-W328 HydrophobicContact CD2-CB 3.52Å; Y142-W328 AromaticContact CD2-CD1 3.58Å; Y142-W328 AromaticContact CD2-CD2 3.82Å; Y142-W328 HydrophobicContact CD2-CD2 3.82Å; Y142-W328 HydrophobicContact CD2-CE3 4.49Å; Y142-W328 AromaticContact CD2-CG 3.32Å; Y142-W328 HydrophobicContact CD2-CG 3.32Å; Y142-W328 HydrophobicContact CE2-CB 3.98Å; Y142-W328 HydrophobicContact CE2-CG 4.13Å; Y142-W328 HydrophobicContact CG-CB 3.92Å; Y142-W328 AromaticContact CG-CD2 3.94Å; Y142-W328 HydrophobicContact CG-CD2 3.94Å; Y142-W328 HydrophobicContact CG-CE3 4.15Å; Y142-W328 AromaticContact CG-CG 3.82Å; Y142-W328 HydrophobicContact CG-CG 3.82Å; R143-W328 HydrophobicContact CG-CH2 3.96Å; R143-W328 HydrophobicContact CG-CZ2 4.49Å; K324-W328 WeakPolarHBondContact O-CB 3.25Å; K324-W328 PolarHBondContact O-N 3.15Å; A325-W328 PolarHBondContact O-N 3.22Å; F326-W328 VanDerWaalsContact C-N 3.29Å; F326-W328 PolarHBondContact O-N 3.35Å; W328-K331 WeakPolarHBondContact O-CB 3.42Å; W328-K331 PolarHBondContact O-N 3.16Å; W328-Y332 HydrophobicContact CH2-CD2 4.34Å; W328-Y332 PolarHBondContact O-N 3.43Å
329	F	98.8	Very high	98.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.9	-39.9	175.5	-74.7	-66.4	0	0	0	112.4	L59 F60 A110 F113 A114 V117 A325 F326 K331 Y332 F333	L59-F329 HydrophobicContact CD1-CE1 4.4Å; L59-F329 HydrophobicContact CD2-CD1 4.14Å; L59-F329 HydrophobicContact CD2-CE1 3.9Å; F60-F329 HydrophobicContact CE1-CE1 4.16Å; F60-F329 AromaticContact CE1-CZ 3.98Å; F60-F329 HydrophobicContact CE1-CZ 3.98Å; F60-F329 HydrophobicContact CZ-CE1 4.13Å; F60-F329 HydrophobicContact CZ-CZ 4.3Å; A110-F329 HydrophobicContact CB-CB 3.58Å; F113-F329 HydrophobicContact CB-CD1 4.09Å; F113-F329 HydrophobicContact CB-CD2 3.76Å; F113-F329 HydrophobicContact CB-CE1 3.84Å; F113-F329 HydrophobicContact CB-CE2 3.53Å; F113-F329 HydrophobicContact CB-CG 4.08Å; F113-F329 HydrophobicContact CB-CZ 3.6Å; F113-F329 HydrophobicContact CD2-CD1 4.04Å; F113-F329 AromaticContact CD2-CE1 3.97Å; F113-F329 HydrophobicContact CD2-CE1 3.97Å; F113-F329 HydrophobicContact CG-CE1 4.29Å; F113-F329 HydrophobicContact CG-CZ 4.42Å; A114-F329 HydrophobicContact CB-CD2 4.48Å; V117-F329 HydrophobicContact CG2-CE2 3.66Å; V117-F329 HydrophobicContact CG2-CZ 3.75Å; A325-F329 HydrophobicContact CB-CD2 4.45Å; A325-F329 HydrophobicContact CB-CE2 4.31Å; A325-F329 WeakPolarHBondContact O-CD2 3.36Å; A325-F329 PolarHBondContact O-N 2.78Å; F326-F329 PolarHBondContact O-N 3.31Å; F329-K331 VanDerWaalsContact C-N 3.33Å; F329-K331 PolarHBondContact O-N 3.23Å; F329-Y332 PolarHBondContact O-N 2.71Å; F329-F333 HydrophobicContact CB-CD2 4.45Å; F329-F333 HydrophobicContact CB-CE2 4.26Å; F329-F333 HydrophobicContact CD1-CE2 4.47Å; F329-F333 WeakPolarHBondContact O-CD2 3.29Å; F329-F333 WeakPolarHBondContact O-CG 3.44Å; F329-F333 PolarHBondContact O-N 2.62Å
330	C	98.9	Very high	98.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	20%	0.196	C	C	.	.	H	α-helix	trans	-58.6	-45.2	173.2	-80.4	0	0	0	0	111.5	F326 K327 F333 N334 V335 A337	F326-C330 VanDerWaalsContact CE2-SG 3.59Å; F326-C330 VanDerWaalsContact O-CB 3.31Å; F326-C330 WeakPolarHBondContact O-CB 3.15Å; F326-C330 PolarHBondContact O-N 3.37Å; F326-C330 PolarHBondContact O-SG 2.92Å; F326-C330 VanDerWaalsContact O-SG 3.4Å; K327-C330 PolarHBondContact O-N 2.92Å; C330-F333 PolarHBondContact O-N 3.22Å; C330-N334 PolarHBondContact O-N 2.88Å; C330-V335 CarbonylContact C-O 3.35Å; C330-V335 HydrophobicContact CB-CG2 4.08Å; C330-V335 WeakPolarHBondContact CB-O 3.38Å; C330-V335 PolarHBondContact O-N 3.32Å; C330-V335 VanDerWaalsContact O-O 3.06Å; C330-A337 HydrophobicContact CB-CB 4.22Å
331	K	98.5	Very high	98.2	Very high	134 Å²	134	46.7 Å²	46.7	58%	0.583	22%	0.224	S	C	*	.	H	α-helix	trans	-60.1	-47	173.7	-177.9	-176.5	176.5	-172.5	0	111.4	K327 W328 F329 F333 N334	K327-K331 WeakPolarHBondContact O-CB 3.21Å; K327-K331 PolarHBondContact O-N 2.9Å; W328-K331 WeakPolarHBondContact O-CB 3.42Å; W328-K331 PolarHBondContact O-N 3.16Å; F329-K331 VanDerWaalsContact C-N 3.33Å; F329-K331 PolarHBondContact O-N 3.23Å; K331-F333 VanDerWaalsContact C-N 3.32Å; K331-F333 PolarHBondContact O-N 3.1Å; K331-N334 PolarHBondContact O-N 3.43Å; K331-N334 VanDerWaalsContact O-N 3.09Å
332	Y	98.1	Very high	98.2	Very high	63 Å²	63	46.1 Å²	46.1	25%	0.247	22%	0.223	C	C	.	.	H	α-helix	trans	-57.7	-42.8	177.4	179.7	-88.9	0	0	0	112.2	M55 D58 L59 W328 F329 N334	M55-Y332 HydrophobicContact CE-CE1 4.25Å; D58-Y332 WeakPolarHBondContact OD2-CE2 3.14Å; D58-Y332 PolarHBondContact OD2-OH 2.67Å; L59-Y332 HydrophobicContact CD1-CD1 4.26Å; L59-Y332 HydrophobicContact CD1-CE1 3.87Å; L59-Y332 HydrophobicContact CD2-CD1 3.72Å; L59-Y332 HydrophobicContact CD2-CD2 3.85Å; L59-Y332 HydrophobicContact CD2-CE1 3.65Å; L59-Y332 HydrophobicContact CD2-CE2 3.79Å; L59-Y332 HydrophobicContact CD2-CG 3.83Å; L59-Y332 HydrophobicContact CG-CD1 4.34Å; L59-Y332 HydrophobicContact CG-CE1 3.85Å; L59-Y332 HydrophobicContact CG-CE2 4.46Å; W328-Y332 HydrophobicContact CH2-CD2 4.34Å; W328-Y332 PolarHBondContact O-N 3.43Å; F329-Y332 PolarHBondContact O-N 2.71Å; Y332-N334 VanDerWaalsContact C-N 3.27Å; Y332-N334 PolarHBondContact O-N 3.15Å
333	F	98.5	Very high	98.2	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.026	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.5	178.9	-66.2	-46.9	0	0	0	114.8	W50 F51 M55 L59 K106 L109 A110 F113 F329 C330 K331 V335	W50-F333 HydrophobicContact CZ3-CD1 4.23Å; W50-F333 HydrophobicContact CZ3-CE1 4.14Å; F51-F333 HydrophobicContact CD2-CE1 4.5Å; F51-F333 HydrophobicContact CE2-CZ 4.48Å; M55-F333 HydrophobicContact CE-CD1 3.91Å; M55-F333 HydrophobicContact CE-CE1 3.59Å; L59-F333 HydrophobicContact CD1-CE1 4.14Å; L59-F333 HydrophobicContact CD1-CZ 3.89Å; K106-F333 HydrophobicContact CB-CB 4.09Å; K106-F333 HydrophobicContact CB-CG 4.41Å; K106-F333 HydrophobicContact CD-CB 4.07Å; K106-F333 HydrophobicContact CG-CB 4.28Å; K106-F333 PolarHBondContact NZ-O 3.47Å; K106-F333 VanDerWaalsContact NZ-O 3.16Å; L109-F333 HydrophobicContact CB-CE2 4.48Å; L109-F333 HydrophobicContact CD2-CE2 4.35Å; L109-F333 HydrophobicContact CD2-CZ 3.86Å; L109-F333 HydrophobicContact CG-CE2 4.38Å; L109-F333 HydrophobicContact CG-CZ 4.31Å; A110-F333 HydrophobicContact CB-CD2 4.05Å; A110-F333 HydrophobicContact CB-CE2 4.17Å; F113-F333 HydrophobicContact CD2-CE2 4.31Å; F113-F333 HydrophobicContact CD2-CZ 4.16Å; F113-F333 HydrophobicContact CE2-CZ 4.03Å; F329-F333 HydrophobicContact CB-CD2 4.45Å; F329-F333 HydrophobicContact CB-CE2 4.26Å; F329-F333 HydrophobicContact CD1-CE2 4.47Å; F329-F333 WeakPolarHBondContact O-CD2 3.29Å; F329-F333 WeakPolarHBondContact O-CG 3.44Å; F329-F333 PolarHBondContact O-N 2.62Å; C330-F333 PolarHBondContact O-N 3.22Å; K331-F333 VanDerWaalsContact C-N 3.32Å; K331-F333 PolarHBondContact O-N 3.1Å; F333-V335 HydrophobicContact CB-CG2 4.14Å
334	N	98.4	Very high	98.2	Very high	142 Å²	142	47.2 Å²	47.2	76%	0.759	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	47.8	-175.3	-169.1	45.5	0	0	0	113.1	C330 K331 Y332	C330-N334 PolarHBondContact O-N 2.88Å; K331-N334 PolarHBondContact O-N 3.43Å; K331-N334 VanDerWaalsContact O-N 3.09Å; Y332-N334 VanDerWaalsContact C-N 3.27Å; Y332-N334 PolarHBondContact O-N 3.15Å
335	V	98.7	Very high	98.1	Very high	13 Å²	13	46.7 Å²	46.7	8%	0.079	23%	0.228	C	C	.	.			trans	-128.8	150.6	176.5	-61.2	0	0	0	0	110.2	Q103 K106 R107 C330 F333	Q103-V335 HydrophobicContact CB-CG1 4.45Å; Q103-V335 HydrophobicContact CG-CB 4.33Å; Q103-V335 HydrophobicContact CG-CG1 4.12Å; K106-V335 HydrophobicContact CB-CG1 3.81Å; K106-V335 HydrophobicContact CB-CG2 4.16Å; K106-V335 HydrophobicContact CD-CG1 3.75Å; K106-V335 HydrophobicContact CG-CG1 4.43Å; R107-V335 HydrophobicContact CG-CB 4.36Å; R107-V335 HydrophobicContact CG-CG2 3.87Å; C330-V335 CarbonylContact C-O 3.35Å; C330-V335 HydrophobicContact CB-CG2 4.08Å; C330-V335 WeakPolarHBondContact CB-O 3.38Å; C330-V335 PolarHBondContact O-N 3.32Å; C330-V335 VanDerWaalsContact O-O 3.06Å; F333-V335 HydrophobicContact CB-CG2 4.14Å
336	P	98.5	Very high	98	Very high	51 Å²	51	53.3 Å²	53.3	33%	0.331	26%	0.257	S	S	.	.			trans	-66.6	147.5	177.9	28.7	-35.2	0	0	0	110.7	Y99 Q103 R107	Y99-P336 HydrophobicContact CD1-CG 3.93Å; Y99-P336 HydrophobicContact CE1-CB 4.35Å; Y99-P336 HydrophobicContact CE1-CG 3.47Å; Y99-P336 VanDerWaalsContact CE1-CG 3.47Å; Q103-P336 HydrophobicContact CG-CG 4.48Å; R107-P336 WeakPolarHBondContact CD-O 3.29Å; R107-P336 PolarHBondContact NH1-O 3.49Å
337	A	98.5	Very high	97.9	Very high	19 Å²	19	54.9 Å²	54.9	16%	0.157	27%	0.273	C	S	.	.			trans	-79.2	-20.2	169.3	0	0	0	0	0	112.5	R107 F326 K327 C330 L343	R107-A337 PolarHBondContact NH1-O 3.02Å; R107-A337 PolarHBondContact NH2-O 3.29Å; R107-A337 VanDerWaalsContact NH2-O 3.11Å; F326-A337 HydrophobicContact CD1-CB 4.45Å; F326-A337 HydrophobicContact CE1-CB 4.29Å; F326-A337 WeakPolarHBondContact CE1-O 3.4Å; K327-A337 HydrophobicContact CG-CB 4.15Å; C330-A337 HydrophobicContact CB-CB 4.22Å; A337-L343 HydrophobicContact CB-CD1 4.42Å; A337-L343 WeakPolarHBondContact O-CD2 3.35Å
338	G	97.9	Very high	97.8	Very high	28 Å²	28	53.6 Å²	53.6	29%	0.289	27%	0.268	S	S	.	.			trans	92.7	-172.2	-174	0	0	0	0	0	111.6	Y99	Y99-G338 VanDerWaalsContact OH-CA 3.27Å; Y99-G338 WeakPolarHBondContact OH-CA 3.18Å
339	E	97.1	Very high	97.7	Very high	135 Å²	135	56.7 Å²	56.7	63%	0.631	29%	0.29	S	S	*	.			trans	-70.4	130.1	-176.2	-67.2	-178.2	-168.3	0	0	111.9	R341 H342 L343	E339-R341 VanDerWaalsContact C-N 3.25Å; E339-R341 PolarHBondContact O-N 2.85Å; E339-R341 VanDerWaalsContact O-N 3.16Å; E339-H342 PolarHBondContact O-N 2.9Å; E339-H342 IonicContact OE2-CE1 3.95Å; E339-H342 PolarHBondContact OE2-CE1 2.76Å; E339-H342 IonicContact OE2-ND1 3.56Å; E339-H342 PolarHBondContact OE2-ND1 3.02Å; E339-L343 PolarHBondContact O-N 3.03Å
340	E	97	Very high	97.5	Very high	111 Å²	111	58.3 Å²	58.3	52%	0.519	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-48.8	-43.7	-178.2	-71.4	-63.6	145.9	0	0	113.4	K327 H342 L343	K327-E340 VanDerWaalsContact CE-OE1 3.23Å; K327-E340 WeakPolarHBondContact CE-OE1 3.28Å; K327-E340 WeakPolarHBondContact CE-OE2 3.29Å; K327-E340 IonicContact NZ-OE1 2.68Å; K327-E340 PolarHBondContact NZ-OE1 3.28Å; K327-E340 IonicContact NZ-OE2 2.67Å; K327-E340 PolarHBondContact NZ-OE2 3.41Å; E340-H342 PolarHBondContact O-N 3.18Å; E340-H342 VanDerWaalsContact O-N 3.17Å; E340-L343 PolarHBondContact O-N 3.38Å; E340-L343 VanDerWaalsContact O-N 3.15Å
341	R	96.8	Very high	97.2	Very high	166 Å²	166	59.9 Å²	59.9	63%	0.626	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-61.2	-26.4	-179.7	-175.2	177.7	176.4	144.9	1.3	113.2	Y290 E339	Y290-R341 PolarHBondContact OH-O 3.19Å; E339-R341 VanDerWaalsContact C-N 3.25Å; E339-R341 PolarHBondContact O-N 2.85Å; E339-R341 VanDerWaalsContact O-N 3.16Å
342	H	97.8	Very high	96.8	Very high	21 Å²	21	53.5 Å²	53.5	10%	0.097	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-100.9	6.9	-177.2	-53.1	137	0	0	0	113.1	G289 I294 F295 G296 E339 E340 T344	G289-H342 PolarHBondContact O-NE2 3.35Å; I294-H342 HydrophobicContact CB-CB 3.91Å; I294-H342 HydrophobicContact CD1-CB 4.25Å; I294-H342 HydrophobicContact CG2-CB 3.66Å; F295-H342 PolarHBondContact N-O 3.12Å; G296-H342 PolarHBondContact N-O 3.09Å; E339-H342 PolarHBondContact O-N 2.9Å; E339-H342 IonicContact OE2-CE1 3.95Å; E339-H342 PolarHBondContact OE2-CE1 2.76Å; E339-H342 IonicContact OE2-ND1 3.56Å; E339-H342 PolarHBondContact OE2-ND1 3.02Å; E340-H342 PolarHBondContact O-N 3.18Å; E340-H342 VanDerWaalsContact O-N 3.17Å; H342-T344 VanDerWaalsContact C-N 3.33Å
343	L	98.3	Very high	96.3	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.016	29%	0.293	C	S	.	.	S	Bend	trans	-81.3	-16.1	170.4	-59.2	-175.8	0	0	0	112.5	F295 G296 I323 F326 K327 A337 E339 E340	F295-L343 HydrophobicContact CB-CD2 3.92Å; F295-L343 WeakPolarHBondContact CD1-O 3.41Å; G296-L343 VanDerWaalsContact CA-C 3.41Å; G296-L343 WeakPolarHBondContact CA-O 3.37Å; G296-L343 PolarHBondContact N-O 2.92Å; I323-L343 WeakPolarHBondContact CD1-O 3.17Å; I323-L343 HydrophobicContact CG1-CB 4.26Å; I323-L343 WeakPolarHBondContact CG1-O 3.31Å; I323-L343 HydrophobicContact CG2-CB 3.96Å; I323-L343 HydrophobicContact CG2-CD1 4.13Å; F326-L343 HydrophobicContact CD1-CD2 3.92Å; F326-L343 HydrophobicContact CE1-CD2 3.84Å; K327-L343 HydrophobicContact CD-CD1 4.23Å; K327-L343 HydrophobicContact CG-CD1 3.99Å; A337-L343 HydrophobicContact CB-CD1 4.42Å; A337-L343 WeakPolarHBondContact O-CD2 3.35Å; E339-L343 PolarHBondContact O-N 3.03Å; E340-L343 PolarHBondContact O-N 3.38Å; E340-L343 VanDerWaalsContact O-N 3.15Å
344	T	97.8	Very high	95.7	Very high	22 Å²	22	61 Å²	61	14%	0.135	33%	0.325	C	S	.	.			trans	-114.6	147.7	174.5	175.9	0	0	0	0	111.5	Y290 G296 G308 E319 H342 K346	Y290-T344 VanDerWaalsContact CE1-O 3.27Å; Y290-T344 WeakPolarHBondContact CE1-O 3.48Å; G296-T344 VanDerWaalsContact CA-C 3.46Å; G308-T344 WeakPolarHBondContact CA-OG1 3.36Å; E319-T344 WeakPolarHBondContact OE1-CA 3.37Å; E319-T344 WeakPolarHBondContact OE1-CB 3.49Å; E319-T344 PolarHBondContact OE1-OG1 2.83Å; E319-T344 PolarHBondContact OE2-OG1 3.45Å; H342-T344 VanDerWaalsContact C-N 3.33Å; T344-K346 VanDerWaalsContact C-N 3.32Å; T344-K346 HydrophobicContact CG2-CB 4.16Å; T344-K346 WeakPolarHBondContact OG1-CB 3.17Å; T344-K346 PolarHBondContact OG1-N 2.96Å
345	C	96.9	Very high	95	Very high	4 Å²	4	55.4 Å²	55.4	3%	0.027	29%	0.294	C	S	.	.	S	Bend	trans	-82.9	-4.7	167.5	51.5	0	0	0	0	113.8	G296 F300 E305 C306 E319 G347 M348	G296-C345 WeakPolarHBondContact O-CB 3.4Å; F300-C345 HydrophobicContact CB-CB 4.28Å; E305-C345 PolarHBondContact O-SG 3.08Å; E305-C345 VanDerWaalsContact O-SG 3.36Å; C306-C345 WeakPolarHBondContact CA-SG 3.39Å; C306-C345 HydrophobicContact CB-CB 4.04Å; C306-C345 WeakPolarHBondContact CB-SG 3.43Å; C306-C345 WeakPolarHBondContact SG-CB 3.37Å; C306-C345 CovalentContact SG-SG 2.04Å; C306-C345 PolarHBondContact SG-SG 3.36Å; E319-C345 PolarHBondContact OE1-N 2.89Å; E319-C345 PolarHBondContact OE1-SG 3.26Å; C345-G347 PolarHBondContact O-N 3.34Å; C345-G347 VanDerWaalsContact O-N 3.16Å; C345-M348 HydrophobicContact CB-CG 4.33Å; C345-M348 HydrophobicContact CB-SD 3.56Å; C345-M348 VanDerWaalsContact CB-SD 3.56Å; C345-M348 VanDerWaalsContact O-CB 3.31Å; C345-M348 WeakPolarHBondContact O-CB 3.34Å; C345-M348 WeakPolarHBondContact O-CG 3.47Å; C345-M348 PolarHBondContact O-N 2.89Å
346	K	96.3	Very high	94.1	Very high	139 Å²	139	56.8 Å²	56.8	60%	0.604	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.7	-177.9	-173.8	179.4	-164.6	162	0	114.2	C306 N307 T344	C306-K346 WeakPolarHBondContact O-CA 3.5Å; C306-K346 VanDerWaalsContact O-CB 3.24Å; C306-K346 WeakPolarHBondContact O-CB 3.43Å; C306-K346 WeakPolarHBondContact O-CG 3.12Å; N307-K346 WeakPolarHBondContact O-CD 3.4Å; N307-K346 WeakPolarHBondContact O-CE 3.48Å; N307-K346 PolarHBondContact O-NZ 3.25Å; T344-K346 VanDerWaalsContact C-N 3.32Å; T344-K346 HydrophobicContact CG2-CB 4.16Å; T344-K346 WeakPolarHBondContact OG1-CB 3.17Å; T344-K346 PolarHBondContact OG1-N 2.96Å
347	G	95.8	Very high	93.3	Very high	33 Å²	33	55.1 Å²	55.1	34%	0.34	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	4.4	-178	0	0	0	0	0	114.5	Y290 C345 P349	Y290-G347 WeakPolarHBondContact CE2-O 3.49Å; Y290-G347 VanDerWaalsContact CZ-C 3.42Å; Y290-G347 VanDerWaalsContact OH-C 3.25Å; Y290-G347 WeakPolarHBondContact OH-CA 3.38Å; Y290-G347 PolarHBondContact OH-N 3.4Å; C345-G347 PolarHBondContact O-N 3.34Å; C345-G347 VanDerWaalsContact O-N 3.16Å; G347-P349 WeakPolarHBondContact O-CD 3.46Å
348	M	96.8	Very high	92.7	Very high	23 Å²	23	59.6 Å²	59.6	11%	0.113	32%	0.319	C	S	.	.			trans	-66.8	121.9	175.7	-71.6	176.4	65.2	0	0	110	N285 Y290 P297 C345 T350 L352	N285-M348 WeakPolarHBondContact ND2-CE 3.32Å; Y290-M348 HydrophobicContact CD1-CG 3.32Å; Y290-M348 HydrophobicContact CD1-SD 4.21Å; Y290-M348 HydrophobicContact CD2-CG 4.03Å; Y290-M348 HydrophobicContact CE1-CG 3.55Å; Y290-M348 HydrophobicContact CE2-CG 4.24Å; Y290-M348 HydrophobicContact CG-CG 3.57Å; P297-M348 HydrophobicContact CB-CE 4.47Å; P297-M348 HydrophobicContact CB-SD 4.03Å; P297-M348 HydrophobicContact CG-CE 4.48Å; P297-M348 HydrophobicContact CG-SD 3.84Å; C345-M348 HydrophobicContact CB-CG 4.33Å; C345-M348 HydrophobicContact CB-SD 3.56Å; C345-M348 VanDerWaalsContact CB-SD 3.56Å; C345-M348 VanDerWaalsContact O-CB 3.31Å; C345-M348 WeakPolarHBondContact O-CB 3.34Å; C345-M348 WeakPolarHBondContact O-CG 3.47Å; C345-M348 PolarHBondContact O-N 2.89Å; M348-T350 PolarHBondContact O-N 3.28Å; M348-L352 HydrophobicContact CE-CD2 3.7Å; M348-L352 HydrophobicContact CE-CG 4.09Å
349	P	96.2	Very high	92.5	Very high	77 Å²	77	60 Å²	60	50%	0.5	31%	0.313	S	S	.	.	S	Bend	trans	-62.8	-27.7	177.2	-25.1	34.2	0	0	0	114.3	N285 A288 G347	N285-P349 VanDerWaalsContact OD1-CD 3.24Å; N285-P349 WeakPolarHBondContact OD1-CD 3.32Å; A288-P349 HydrophobicContact CB-CG 3.45Å; A288-P349 VanDerWaalsContact CB-CG 3.45Å; G347-P349 WeakPolarHBondContact O-CD 3.46Å
350	T	94.3	Very high	92.5	Very high	33 Å²	33	53.6 Å²	53.6	20%	0.202	28%	0.284	C	S	.	.	S	Bend	trans	-134	130.2	179.7	46.5	0	0	0	0	110.7	N285 M348	N285-T350 VanDerWaalsContact CG-OG1 3.29Å; N285-T350 PolarHBondContact ND2-O 3.05Å; N285-T350 PolarHBondContact ND2-OG1 3.18Å; N285-T350 VanDerWaalsContact ND2-OG1 3.12Å; N285-T350 PolarHBondContact OD1-N 2.84Å; N285-T350 VanDerWaalsContact OD1-N 3.12Å; N285-T350 PolarHBondContact OD1-O 2.9Å; N285-T350 PolarHBondContact OD1-OG1 2.97Å; M348-T350 PolarHBondContact O-N 3.28Å
351	S	92.5	Very high	92.5	Very high	35 Å²	35	48.6 Å²	48.6	25%	0.245	26%	0.26	C	S	.	.			trans	-63.7	155.1	172.5	69.4	0	0	0	0	111.3	D353 M354	S351-D353 PolarHBondContact O-N 3.48Å; S351-D353 VanDerWaalsContact O-N 3.16Å; S351-M354 WeakPolarHBondContact O-CB 3.46Å; S351-M354 PolarHBondContact O-N 2.69Å; S351-M354 VanDerWaalsContact OG-CG 3.26Å; S351-M354 WeakPolarHBondContact OG-CG 3.41Å; S351-M354 PolarHBondContact OG-SD 3.43Å; S351-M354 VanDerWaalsContact OG-SD 3.39Å
352	L	90.8	Very high	92.5	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.4	180	-57.7	177	0	0	0	112.6	P267 K268 W279 P297 F300 I301 M348 M354 I355	P267-L352 WeakPolarHBondContact CG-O 3.31Å; K268-L352 HydrophobicContact CG-CB 4.33Å; W279-L352 HydrophobicContact CE3-CD2 4.41Å; W279-L352 HydrophobicContact CZ3-CD2 3.83Å; P297-L352 HydrophobicContact CB-CD1 4.37Å; F300-L352 HydrophobicContact CD1-CB 3.81Å; F300-L352 HydrophobicContact CD1-CD1 3.73Å; F300-L352 HydrophobicContact CD1-CG 3.82Å; F300-L352 HydrophobicContact CE1-CB 3.57Å; F300-L352 HydrophobicContact CE1-CD1 4.36Å; F300-L352 HydrophobicContact CE1-CG 4.11Å; F300-L352 HydrophobicContact CG-CD1 4.5Å; F300-L352 HydrophobicContact CZ-CB 4.41Å; I301-L352 HydrophobicContact CD1-CD1 4.4Å; I301-L352 HydrophobicContact CG1-CD1 4.03Å; M348-L352 HydrophobicContact CE-CD2 3.7Å; M348-L352 HydrophobicContact CE-CG 4.09Å; L352-M354 VanDerWaalsContact C-N 3.26Å; L352-M354 PolarHBondContact O-N 2.74Å; L352-I355 HydrophobicContact CB-CD1 4.49Å; L352-I355 HydrophobicContact CD2-CD1 3.95Å; L352-I355 WeakPolarHBondContact O-CG1 3.49Å
353	D	87	Confident	92.5	Very high	85 Å²	85	40.1 Å²	40.1	46%	0.455	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-14.4	174.2	-68.4	-42.7	0	0	0	112.8	K268 F300 S351	K268-D353 VanDerWaalsContact CE-CG 3.41Å; K268-D353 WeakPolarHBondContact CE-OD1 3.49Å; K268-D353 WeakPolarHBondContact CE-OD2 3.19Å; K268-D353 IonicContact NZ-OD1 2.6Å; K268-D353 IonicContact NZ-OD2 2.9Å; K268-D353 PolarHBondContact NZ-OD2 3.42Å; F300-D353 HydrophobicContact CZ-CB 4.41Å; F300-D353 VanDerWaalsContact CZ-OD2 3.31Å; F300-D353 WeakPolarHBondContact CZ-OD2 3.48Å; S351-D353 PolarHBondContact O-N 3.48Å; S351-D353 VanDerWaalsContact O-N 3.16Å
354	M	86.9	Confident	92.5	Very high	142 Å²	142	41.6 Å²	41.6	70%	0.7	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-14.4	-178.9	-69.7	171	171.9	0	0	114.4	S351 L352 G356	S351-M354 WeakPolarHBondContact O-CB 3.46Å; S351-M354 PolarHBondContact O-N 2.69Å; S351-M354 VanDerWaalsContact OG-CG 3.26Å; S351-M354 WeakPolarHBondContact OG-CG 3.41Å; S351-M354 PolarHBondContact OG-SD 3.43Å; S351-M354 VanDerWaalsContact OG-SD 3.39Å; L352-M354 VanDerWaalsContact C-N 3.26Å; L352-M354 PolarHBondContact O-N 2.74Å; M354-G356 PolarHBondContact O-N 3.34Å
355	I	83.8	Confident	92.4	Very high	23 Å²	23	45.9 Å²	45.9	12%	0.118	25%	0.249	C	C	.	.	S	Bend	trans	-75.5	23.1	-173.7	56	163.6	0	0	0	114.2	E280 P281 L352 R392	E280-I355 WeakPolarHBondContact O-CD1 3.31Å; P281-I355 WeakPolarHBondContact O-CG2 3.47Å; L352-I355 HydrophobicContact CB-CD1 4.49Å; L352-I355 HydrophobicContact CD2-CD1 3.95Å; L352-I355 WeakPolarHBondContact O-CG1 3.49Å; I355-R392 VanDerWaalsContact CG1-NH2 3.33Å; I355-R392 PolarHBondContact O-NH1 2.85Å; I355-R392 VanDerWaalsContact O-NH1 3.13Å; I355-R392 PolarHBondContact O-NH2 3.13Å
356	G	79.7	Confident	92.4	Very high	43 Å²	43	49.1 Å²	49.1	44%	0.443	27%	0.272	S	S	.	.	S	Bend	trans	56.7	-170.8	-172.4	0	0	0	0	0	112.6	P267 M354 K358 R392	P267-G356 WeakPolarHBondContact CB-O 2.96Å; M354-G356 PolarHBondContact O-N 3.34Å; G356-K358 PolarHBondContact O-N 2.7Å; G356-R392 VanDerWaalsContact O-CZ 3.32Å; G356-R392 PolarHBondContact O-NH1 3.36Å; G356-R392 PolarHBondContact O-NH2 2.9Å
357	G	80.1	Confident	92.3	Very high	15 Å²	15	42.5 Å²	42.5	16%	0.155	24%	0.244	C	C	.	.			trans	76.2	16.9	172	0	0	0	0	0	115.8	K359	G357-K359 PolarHBondContact O-N 2.86Å
358	K	86.5	Confident	92.4	Very high	113 Å²	113	41.6 Å²	41.6	49%	0.491	23%	0.232	S	C	.	.			trans	-73.1	74	164.4	-169.6	179.6	-167.2	-176.3	0	108.9	P267 G356 D380 Y381	P267-K358 HydrophobicContact CB-CB 4.36Å; P267-K358 HydrophobicContact CG-CB 4.31Å; G356-K358 PolarHBondContact O-N 2.7Å; K358-D380 CarbonylContact O-C 3.36Å; K358-Y381 CarbonylContact O-C 3.5Å; K358-Y381 PolarHBondContact O-N 3.01Å
359	K	94.1	Very high	92.3	Very high	36 Å²	36	48.2 Å²	48.2	16%	0.157	26%	0.255	C	S	.	.			trans	-100.3	138.6	-178.3	-68.6	179.2	-176.5	-81.5	0	111.6	G357 A379 D380 Y387 E389	G357-K359 PolarHBondContact O-N 2.86Å; K359-A379 VanDerWaalsContact CA-O 3.22Å; K359-A379 WeakPolarHBondContact CA-O 3.47Å; K359-D380 WeakPolarHBondContact CE-OD1 3.02Å; K359-D380 IonicContact NZ-OD1 3.02Å; K359-D380 PolarHBondContact NZ-OD1 3.04Å; K359-D380 IonicContact NZ-OD2 2.88Å; K359-Y387 HydrophobicContact CB-CD1 3.69Å; K359-Y387 HydrophobicContact CB-CG 4.38Å; K359-Y387 HydrophobicContact CD-CD1 3.72Å; K359-Y387 HydrophobicContact CD-CE1 3.89Å; K359-Y387 HydrophobicContact CG-CD1 4.36Å; K359-Y387 PolarHBondContact O-N 3.22Å; K359-Y387 VanDerWaalsContact O-N 3.12Å; K359-E389 WeakPolarHBondContact CE-OE1 3.33Å
360	S	96.2	Very high	92.2	Very high	2 Å²	2	48 Å²	48	1%	0.014	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.7	173	63.5	0	0	0	0	110.4	Q362 P378 A379 Y381 G383 I385	S360-Q362 PolarHBondContact OG-NE2 3.01Å; S360-P378 WeakPolarHBondContact O-CA 3.22Å; S360-A379 PolarHBondContact N-O 3.12Å; S360-A379 PolarHBondContact O-N 2.86Å; S360-Y381 PolarHBondContact OG-O 3.22Å; S360-G383 PolarHBondContact OG-N 2.84Å; S360-G383 VanDerWaalsContact OG-N 3.16Å; S360-I385 CarbonylContact C-O 3.55Å; S360-I385 VanDerWaalsContact CA-O 3.22Å; S360-I385 WeakPolarHBondContact CA-O 3.43Å; S360-I385 VanDerWaalsContact CB-O 3.22Å; S360-I385 WeakPolarHBondContact CB-O 3.46Å
361	F	98	Very high	92.2	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128	167.7	-79.2	-76.3	0	0	0	109.9	C376 P378 I385 Y387 N401 A404 E405 C408	F361-C376 HydrophobicContact CD1-CB 4.25Å; F361-P378 HydrophobicContact CE1-CG 4.19Å; F361-I385 HydrophobicContact CB-CB 4.37Å; F361-I385 HydrophobicContact CB-CG2 3.98Å; F361-I385 HydrophobicContact CD2-CG2 4.15Å; F361-I385 PolarHBondContact N-O 2.03Å; F361-Y387 HydrophobicContact CD2-CD2 4.39Å; F361-Y387 HydrophobicContact CE1-CD2 4.19Å; F361-Y387 AromaticContact CE2-CD2 3.65Å; F361-Y387 HydrophobicContact CE2-CD2 3.65Å; F361-Y387 HydrophobicContact CE2-CG 4.38Å; F361-Y387 AromaticContact CZ-CD2 3.55Å; F361-Y387 HydrophobicContact CZ-CD2 3.55Å; F361-Y387 HydrophobicContact CZ-CE2 4.18Å; F361-N401 HydrophobicContact CE2-CB 4.04Å; F361-N401 WeakPolarHBondContact CE2-O 3.22Å; F361-N401 HydrophobicContact CZ-CB 4.02Å; F361-N401 WeakPolarHBondContact CZ-O 3.18Å; F361-A404 HydrophobicContact CD2-CB 3.7Å; F361-A404 HydrophobicContact CE2-CB 3.68Å; F361-E405 HydrophobicContact CD1-CB 4.03Å; F361-E405 HydrophobicContact CD1-CG 4.09Å; F361-E405 HydrophobicContact CE1-CB 3.59Å; F361-E405 HydrophobicContact CE1-CG 3.77Å; F361-E405 HydrophobicContact CE2-CB 4.38Å; F361-E405 HydrophobicContact CZ-CB 3.77Å; F361-E405 HydrophobicContact CZ-CG 4.43Å; F361-C408 HydrophobicContact CB-CB 3.73Å
362	Q	97.5	Very high	92.3	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.028	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	165.4	-177.3	-66.4	-68.8	-12.5	0	0	109.4	S360 D364 C376 A377 A379 Y381	S360-Q362 PolarHBondContact OG-NE2 3.01Å; Q362-D364 PolarHBondContact O-N 3.27Å; Q362-C376 CarbonylContact O-C 3.52Å; Q362-C376 WeakPolarHBondContact O-CA 3.33Å; Q362-C376 WeakPolarHBondContact O-CB 3.25Å; Q362-A377 PolarHBondContact N-O 2.87Å; Q362-A377 PolarHBondContact O-N 3.25Å; Q362-A379 HydrophobicContact CB-CB 3.91Å; Q362-A379 HydrophobicContact CG-CB 3.81Å; Q362-Y381 HydrophobicContact CB-CE2 4.37Å; Q362-Y381 VanDerWaalsContact CB-OH 3.25Å; Q362-Y381 WeakPolarHBondContact CB-OH 3.36Å; Q362-Y381 VanDerWaalsContact CD-CE2 3.46Å; Q362-Y381 HydrophobicContact CG-CD2 4.34Å; Q362-Y381 HydrophobicContact CG-CE2 3.5Å; Q362-Y381 VanDerWaalsContact CG-CE2 3.5Å; Q362-Y381 WeakPolarHBondContact CG-OH 2.99Å
363	P	97.4	Very high	92.5	Very high	3 Å²	3	54 Å²	54	2%	0.019	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.1	131.3	169.1	-23.5	31.8	0	0	0	110.7	W365 T368 I412 Y419 M421	P363-W365 VanDerWaalsContact C-N 3.26Å; P363-W365 HydrophobicContact CB-CD2 4.24Å; P363-W365 HydrophobicContact CB-CE3 4.07Å; P363-W365 HydrophobicContact CB-CH2 3.9Å; P363-W365 HydrophobicContact CB-CZ2 4.06Å; P363-W365 HydrophobicContact CB-CZ3 3.9Å; P363-W365 HydrophobicContact CG-CH2 3.75Å; P363-W365 HydrophobicContact CG-CZ2 3.92Å; P363-W365 HydrophobicContact CG-CZ3 4.21Å; P363-W365 PolarHBondContact O-N 3.06Å; P363-T368 HydrophobicContact CB-CG2 4.01Å; P363-I412 HydrophobicContact CB-CD1 3.8Å; P363-I412 HydrophobicContact CG-CD1 3.78Å; P363-I412 HydrophobicContact CG-CG1 3.99Å; P363-Y419 HydrophobicContact CG-CD1 3.65Å; P363-Y419 HydrophobicContact CG-CD2 4.22Å; P363-Y419 HydrophobicContact CG-CE1 4.17Å; P363-Y419 HydrophobicContact CG-CG 3.67Å; P363-M421 HydrophobicContact CB-SD 3.81Å; P363-M421 HydrophobicContact CG-SD 3.67Å
364	D	97.6	Very high	93	Very high	33 Å²	33	50.1 Å²	50.1	18%	0.176	27%	0.267	C	S	.	.			trans	-70.3	90.8	171.4	172.1	18.9	0	0	0	108.8	Q362 S366 S367 T368 K375 A377	Q362-D364 PolarHBondContact O-N 3.27Å; D364-S366 VanDerWaalsContact CG-OG 3.31Å; D364-S366 PolarHBondContact O-N 3.27Å; D364-S366 VanDerWaalsContact OD1-CB 3.31Å; D364-S366 WeakPolarHBondContact OD1-CB 3.22Å; D364-S366 PolarHBondContact OD1-N 3.23Å; D364-S366 VanDerWaalsContact OD1-N 3.1Å; D364-S366 PolarHBondContact OD1-OG 3.25Å; D364-S366 PolarHBondContact OD2-OG 2.66Å; D364-S367 WeakPolarHBondContact CB-OG 3.16Å; D364-S367 PolarHBondContact O-N 3.26Å; D364-S367 PolarHBondContact O-OG 3.09Å; D364-S367 VanDerWaalsContact O-OG 3.09Å; D364-S367 WeakPolarHBondContact OD2-CB 3.43Å; D364-S367 PolarHBondContact OD2-OG 3.4Å; D364-T368 WeakPolarHBondContact O-CG2 3.13Å; D364-T368 PolarHBondContact O-N 3.49Å; D364-K375 HydrophobicContact CB-CB 4.08Å; D364-K375 PolarHBondContact N-O 3.18Å; D364-A377 HydrophobicContact CB-CB 3.98Å
365	W	96.3	Very high	93.5	Very high	112 Å²	112	47.5 Å²	47.5	42%	0.424	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-25.7	-178	-57.6	121.6	0	0	0	112.8	P363 S367 T368 Y381 M421	P363-W365 VanDerWaalsContact C-N 3.26Å; P363-W365 HydrophobicContact CB-CD2 4.24Å; P363-W365 HydrophobicContact CB-CE3 4.07Å; P363-W365 HydrophobicContact CB-CH2 3.9Å; P363-W365 HydrophobicContact CB-CZ2 4.06Å; P363-W365 HydrophobicContact CB-CZ3 3.9Å; P363-W365 HydrophobicContact CG-CH2 3.75Å; P363-W365 HydrophobicContact CG-CZ2 3.92Å; P363-W365 HydrophobicContact CG-CZ3 4.21Å; P363-W365 PolarHBondContact O-N 3.06Å; W365-S367 PolarHBondContact O-N 2.99Å; W365-T368 HydrophobicContact CE3-CG2 3.86Å; W365-T368 HydrophobicContact CZ3-CG2 4.27Å; W365-T368 PolarHBondContact O-OG1 3.44Å; W365-Y381 AromaticContact NE1-CZ 3.98Å; W365-Y381 PolarHBondContact NE1-OH 2.99Å; W365-M421 HydrophobicContact CH2-CG 4.41Å; W365-M421 HydrophobicContact CZ3-CG 4.07Å; W365-M421 HydrophobicContact CZ3-SD 4.24Å
366	S	96.1	Very high	94.2	Very high	72 Å²	72	46.7 Å²	46.7	50%	0.503	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.4	177.1	83.6	0	0	0	0	113.7	D364 W369 K370	D364-S366 VanDerWaalsContact CG-OG 3.31Å; D364-S366 PolarHBondContact O-N 3.27Å; D364-S366 VanDerWaalsContact OD1-CB 3.31Å; D364-S366 WeakPolarHBondContact OD1-CB 3.22Å; D364-S366 PolarHBondContact OD1-N 3.23Å; D364-S366 VanDerWaalsContact OD1-N 3.1Å; D364-S366 PolarHBondContact OD1-OG 3.25Å; D364-S366 PolarHBondContact OD2-OG 2.66Å; S366-W369 PolarHBondContact O-NE1 2.93Å; S366-W369 VanDerWaalsContact O-NE1 3.13Å; S366-K370 VanDerWaalsContact O-CE 3.23Å; S366-K370 WeakPolarHBondContact O-CE 3.24Å; S366-K370 PolarHBondContact O-NZ 3.27Å
367	S	95.7	Very high	95.1	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.007	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-13.3	179.8	59.2	0	0	0	0	115	D364 W365 W369 K370 E372	D364-S367 WeakPolarHBondContact CB-OG 3.16Å; D364-S367 PolarHBondContact O-N 3.26Å; D364-S367 PolarHBondContact O-OG 3.09Å; D364-S367 VanDerWaalsContact O-OG 3.09Å; D364-S367 WeakPolarHBondContact OD2-CB 3.43Å; D364-S367 PolarHBondContact OD2-OG 3.4Å; W365-S367 PolarHBondContact O-N 2.99Å; S367-W369 PolarHBondContact O-N 3.49Å; S367-K370 WeakPolarHBondContact O-CB 3.35Å; S367-K370 PolarHBondContact O-N 3.18Å; S367-E372 VanDerWaalsContact CB-OE1 3.26Å; S367-E372 WeakPolarHBondContact CB-OE1 3.45Å
368	T	96.5	Very high	95.9	Very high	14 Å²	14	48 Å²	48	9%	0.086	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-30.5	-179	54.9	0	0	0	0	115.3	P363 D364 W365 M421 S426 L427 C428	P363-T368 HydrophobicContact CB-CG2 4.01Å; D364-T368 WeakPolarHBondContact O-CG2 3.13Å; D364-T368 PolarHBondContact O-N 3.49Å; W365-T368 HydrophobicContact CE3-CG2 3.86Å; W365-T368 HydrophobicContact CZ3-CG2 4.27Å; W365-T368 PolarHBondContact O-OG1 3.44Å; T368-M421 HydrophobicContact CG2-CE 3.72Å; T368-M421 HydrophobicContact CG2-SD 4.46Å; T368-S426 CarbonylContact O-C 3.27Å; T368-S426 VanDerWaalsContact O-C 3.27Å; T368-S426 VanDerWaalsContact O-CA 3.3Å; T368-S426 WeakPolarHBondContact O-CA 3.27Å; T368-L427 PolarHBondContact O-N 3.13Å; T368-C428 PolarHBondContact O-N 3.2Å; T368-C428 VanDerWaalsContact O-N 3.13Å
369	W	95	Very high	96.3	Very high	161 Å²	161	43.4 Å²	43.4	61%	0.61	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-3.1	178.9	57.4	-92.8	0	0	0	113.7	S366 S367 L427	S366-W369 PolarHBondContact O-NE1 2.93Å; S366-W369 VanDerWaalsContact O-NE1 3.13Å; S367-W369 PolarHBondContact O-N 3.49Å; W369-L427 VanDerWaalsContact O-CD1 3.32Å; W369-L427 WeakPolarHBondContact O-CD1 3.44Å
370	K	95.4	Very high	96.2	Very high	74 Å²	74	47.6 Å²	47.6	32%	0.322	26%	0.256	S	S	.	.	S	Bend	trans	-91.5	152	-179.8	-62.9	174.5	-173.4	164.1	0	110.7	S366 S367 E372 L427 C428	S366-K370 VanDerWaalsContact O-CE 3.23Å; S366-K370 WeakPolarHBondContact O-CE 3.24Å; S366-K370 PolarHBondContact O-NZ 3.27Å; S367-K370 WeakPolarHBondContact O-CB 3.35Å; S367-K370 PolarHBondContact O-N 3.18Å; K370-E372 HydrophobicContact CB-CG 3.78Å; K370-E372 VanDerWaalsContact CD-OE1 3.27Å; K370-E372 WeakPolarHBondContact CD-OE1 3.26Å; K370-E372 PolarHBondContact O-N 2.88Å; K370-L427 CarbonylContact O-C 3.51Å; K370-C428 PolarHBondContact O-N 3Å
371	A	92.7	Very high	95.8	Very high	81 Å²	81	52 Å²	52	67%	0.669	27%	0.273	S	S	*	.	S	Bend	trans	-80.3	56.3	173.6	0	0	0	0	0	111.6	I431	A371-I431 HydrophobicContact CB-CD1 4.42Å
372	E	94.5	Very high	95.1	Very high	52 Å²	52	53 Å²	53	24%	0.243	29%	0.285	C	S	.	.	S	Bend	trans	-134.1	161.7	174.4	59	176.5	171.1	0	0	109.6	S367 K370 C374 K375 C428	S367-E372 VanDerWaalsContact CB-OE1 3.26Å; S367-E372 WeakPolarHBondContact CB-OE1 3.45Å; K370-E372 HydrophobicContact CB-CG 3.78Å; K370-E372 VanDerWaalsContact CD-OE1 3.27Å; K370-E372 WeakPolarHBondContact CD-OE1 3.26Å; K370-E372 PolarHBondContact O-N 2.88Å; E372-C374 PolarHBondContact O-N 3.22Å; E372-K375 IonicContact OE1-NZ 2.73Å; E372-K375 PolarHBondContact OE1-NZ 3.37Å; E372-K375 IonicContact OE2-NZ 3.55Å; E372-K375 PolarHBondContact OE2-NZ 3Å; E372-C428 WeakPolarHBondContact O-CA 3.35Å; E372-C428 WeakPolarHBondContact O-CB 3.26Å
373	P	96.4	Very high	94.9	Very high	59 Å²	59	53.6 Å²	53.6	38%	0.383	29%	0.293	S	S	.	.			trans	-55	141.9	176.8	-24.7	34.4	0	0	0	112.2	K375 Y413 I431	P373-K375 PolarHBondContact O-N 2.93Å; P373-Y413 WeakPolarHBondContact CA-OH 3.45Å; P373-I431 HydrophobicContact CG-CG2 3.88Å
374	C	97.2	Very high	94.7	Very high	5 Å²	5	55.8 Å²	55.8	3%	0.034	30%	0.303	C	S	.	.			trans	-60.6	136.6	177.9	-60	0	0	0	0	110.3	E372 I412 Y413 C428 L429	E372-C374 PolarHBondContact O-N 3.22Å; C374-I412 HydrophobicContact CB-CG2 3.89Å; C374-Y413 HydrophobicContact CB-CE2 3.86Å; C374-Y413 PolarHBondContact N-OH 2.91Å; C374-C428 VanDerWaalsContact CA-SG 3.51Å; C374-C428 HydrophobicContact CB-CB 3.9Å; C374-C428 WeakPolarHBondContact CB-SG 3.34Å; C374-C428 WeakPolarHBondContact SG-CB 3.47Å; C374-C428 PolarHBondContact SG-O 3.46Å; C374-C428 CovalentContact SG-SG 2.05Å; C374-C428 PolarHBondContact SG-SG 3.12Å; C374-L429 PolarHBondContact SG-N 3.13Å; C374-L429 VanDerWaalsContact SG-N 3.43Å
375	K	97.2	Very high	94.6	Very high	86 Å²	86	54.5 Å²	54.5	37%	0.374	30%	0.296	S	S	.	.			trans	-115.7	162	177.2	-63.1	170.5	-167.1	158.8	0	109.7	D364 E372 P373	D364-K375 HydrophobicContact CB-CB 4.08Å; D364-K375 PolarHBondContact N-O 3.18Å; E372-K375 IonicContact OE1-NZ 2.73Å; E372-K375 PolarHBondContact OE1-NZ 3.37Å; E372-K375 IonicContact OE2-NZ 3.55Å; E372-K375 PolarHBondContact OE2-NZ 3Å; P373-K375 PolarHBondContact O-N 2.93Å
376	C	98.1	Very high	94.5	Very high	7 Å²	7	50.3 Å²	50.3	5%	0.047	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	150.7	166.2	-71.7	0	0	0	0	110.5	F361 Q362 E405 C408 V409 I412	F361-C376 HydrophobicContact CD1-CB 4.25Å; Q362-C376 CarbonylContact O-C 3.52Å; Q362-C376 WeakPolarHBondContact O-CA 3.33Å; Q362-C376 WeakPolarHBondContact O-CB 3.25Å; C376-E405 HydrophobicContact CB-CG 4.24Å; C376-C408 HydrophobicContact CB-CB 3.67Å; C376-C408 WeakPolarHBondContact CB-SG 3.43Å; C376-C408 WeakPolarHBondContact SG-CB 3.44Å; C376-C408 CovalentContact SG-SG 2.03Å; C376-C408 PolarHBondContact SG-SG 3.04Å; C376-V409 HydrophobicContact CB-CG2 4.21Å; C376-V409 PolarHBondContact SG-N 2.85Å; C376-I412 WeakPolarHBondContact SG-CD1 3.45Å
377	A	97.9	Very high	94.6	Very high	31 Å²	31	48.9 Å²	48.9	26%	0.256	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155.6	173.1	0	0	0	0	0	109.9	Q362 D364 A379	Q362-A377 PolarHBondContact N-O 2.87Å; Q362-A377 PolarHBondContact O-N 3.25Å; D364-A377 HydrophobicContact CB-CB 3.98Å; A377-A379 PolarHBondContact O-N 3.39Å
378	P	97.2	Very high	94.6	Very high	55 Å²	55	49.9 Å²	49.9	36%	0.357	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	128.1	169	-21.1	34	0	0	0	110.6	S360 F361 Y387	S360-P378 WeakPolarHBondContact O-CA 3.22Å; F361-P378 HydrophobicContact CE1-CG 4.19Å; P378-Y387 HydrophobicContact CB-CD1 3.67Å; P378-Y387 HydrophobicContact CB-CD2 4Å; P378-Y387 HydrophobicContact CB-CE1 3.86Å; P378-Y387 HydrophobicContact CB-CE2 4.19Å; P378-Y387 HydrophobicContact CB-CG 3.71Å; P378-Y387 HydrophobicContact CG-CD1 4.06Å; P378-Y387 HydrophobicContact CG-CD2 3.55Å; P378-Y387 HydrophobicContact CG-CE1 3.97Å; P378-Y387 HydrophobicContact CG-CE2 3.47Å; P378-Y387 VanDerWaalsContact CG-CE2 3.47Å; P378-Y387 HydrophobicContact CG-CG 3.83Å
379	A	95.6	Very high	94.6	Very high	15 Å²	15	52.1 Å²	52.1	12%	0.124	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	151.6	175.1	0	0	0	0	0	111.4	K359 S360 Q362 A377 Y381	K359-A379 VanDerWaalsContact CA-O 3.22Å; K359-A379 WeakPolarHBondContact CA-O 3.47Å; S360-A379 PolarHBondContact N-O 3.12Å; S360-A379 PolarHBondContact O-N 2.86Å; Q362-A379 HydrophobicContact CB-CB 3.91Å; Q362-A379 HydrophobicContact CG-CB 3.81Å; A377-A379 PolarHBondContact O-N 3.39Å; A379-Y381 HydrophobicContact CB-CD1 3.84Å; A379-Y381 HydrophobicContact CB-CE1 3.35Å; A379-Y381 PolarHBondContact O-N 3.43Å
380	D	91.1	Very high	94.6	Very high	125 Å²	125	48.2 Å²	48.2	67%	0.668	28%	0.278	S	S	*	.	S	Bend	trans	-80.6	25.5	-175.9	-67.4	-50.3	0	0	0	114.6	K358 K359	K358-D380 CarbonylContact O-C 3.36Å; K359-D380 WeakPolarHBondContact CE-OD1 3.02Å; K359-D380 IonicContact NZ-OD1 3.02Å; K359-D380 PolarHBondContact NZ-OD1 3.04Å; K359-D380 IonicContact NZ-OD2 2.88Å
381	Y	89	Confident	94.4	Very high	94 Å²	94	48.3 Å²	48.3	37%	0.369	30%	0.3	S	S	.	.	S	Bend	trans	-131.5	156.3	173.2	56.4	-88.7	0	0	0	110.8	K358 S360 Q362 W365 A379	K358-Y381 CarbonylContact O-C 3.5Å; K358-Y381 PolarHBondContact O-N 3.01Å; S360-Y381 PolarHBondContact OG-O 3.22Å; Q362-Y381 HydrophobicContact CB-CE2 4.37Å; Q362-Y381 VanDerWaalsContact CB-OH 3.25Å; Q362-Y381 WeakPolarHBondContact CB-OH 3.36Å; Q362-Y381 VanDerWaalsContact CD-CE2 3.46Å; Q362-Y381 HydrophobicContact CG-CD2 4.34Å; Q362-Y381 HydrophobicContact CG-CE2 3.5Å; Q362-Y381 VanDerWaalsContact CG-CE2 3.5Å; Q362-Y381 WeakPolarHBondContact CG-OH 2.99Å; W365-Y381 AromaticContact NE1-CZ 3.98Å; W365-Y381 PolarHBondContact NE1-OH 2.99Å; A379-Y381 HydrophobicContact CB-CD1 3.84Å; A379-Y381 HydrophobicContact CB-CE1 3.35Å; A379-Y381 PolarHBondContact O-N 3.43Å
382	G	83.9	Confident	94.5	Very high	28 Å²	28	46 Å²	46	29%	0.289	27%	0.274	S	S	.	.			trans	-69.3	147.6	-178.2	0	0	0	0	0	113
383	G	91.4	Very high	94.5	Very high	18 Å²	18	44 Å²	44	19%	0.186	26%	0.264	C	S	.	.			trans	-163.2	173.8	173.6	0	0	0	0	0	109.8	S360 I385	S360-G383 PolarHBondContact OG-N 2.84Å; S360-G383 VanDerWaalsContact OG-N 3.16Å; G383-I385 VanDerWaalsContact C-N 3.28Å; G383-I385 PolarHBondContact O-N 2.63Å
384	M	93	Very high	94.5	Very high	48 Å²	48	42.1 Å²	42.1	24%	0.236	25%	0.252	C	S	.	.	S	Bend	trans	-74.5	-12.6	-173.2	-63.4	-59.1	100.5	0	0	115.2	E186 Q187 F190 Y191	E186-M384 HydrophobicContact CB-CG 3.98Å; Q187-M384 PolarHBondContact NE2-SD 3.07Å; F190-M384 HydrophobicContact CB-CB 4.25Å; F190-M384 HydrophobicContact CB-CG 4.16Å; F190-M384 HydrophobicContact CD1-CB 4Å; F190-M384 HydrophobicContact CD2-CB 3.4Å; F190-M384 VanDerWaalsContact CD2-CB 3.4Å; F190-M384 HydrophobicContact CD2-CG 3.47Å; F190-M384 VanDerWaalsContact CD2-CG 3.47Å; F190-M384 HydrophobicContact CE1-CB 4.19Å; F190-M384 HydrophobicContact CE2-CB 3.62Å; F190-M384 HydrophobicContact CE2-CG 4.02Å; F190-M384 HydrophobicContact CG-CB 3.62Å; F190-M384 HydrophobicContact CG-CG 3.89Å; F190-M384 HydrophobicContact CZ-CB 4.02Å; Y191-M384 HydrophobicContact CD2-SD 4.19Å; Y191-M384 HydrophobicContact CE2-SD 3.98Å
385	I	95.9	Very high	94.5	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.031	28%	0.284	C	S	.	.	S	Bend	trans	-110.2	97.1	178.6	-55.7	177	0	0	0	108.2	F190 S360 F361 G383 A404 R407 C408 T411	F190-I385 HydrophobicContact CE1-CD1 3.89Å; F190-I385 HydrophobicContact CE1-CG1 3.7Å; F190-I385 HydrophobicContact CZ-CD1 3.74Å; F190-I385 HydrophobicContact CZ-CG1 3.71Å; S360-I385 CarbonylContact C-O 3.55Å; S360-I385 VanDerWaalsContact CA-O 3.22Å; S360-I385 WeakPolarHBondContact CA-O 3.43Å; S360-I385 VanDerWaalsContact CB-O 3.22Å; S360-I385 WeakPolarHBondContact CB-O 3.46Å; F361-I385 HydrophobicContact CB-CB 4.37Å; F361-I385 HydrophobicContact CB-CG2 3.98Å; F361-I385 HydrophobicContact CD2-CG2 4.15Å; F361-I385 PolarHBondContact N-O 2.03Å; G383-I385 VanDerWaalsContact C-N 3.28Å; G383-I385 PolarHBondContact O-N 2.63Å; I385-A404 HydrophobicContact CG2-CB 3.78Å; I385-A404 WeakPolarHBondContact CG2-O 3.22Å; I385-R407 HydrophobicContact CD1-CB 4.49Å; I385-R407 HydrophobicContact CD1-CG 4.06Å; I385-C408 VanDerWaalsContact CD1-CA 3.42Å; I385-C408 HydrophobicContact CD1-CB 3.72Å; I385-T411 HydrophobicContact CD1-CG2 4.17Å
386	A	95.5	Very high	94.4	Very high	24 Å²	24	47.4 Å²	47.4	20%	0.198	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-58.3	142.7	-179.5	0	0	0	0	0	112.4	P266 Y388	P266-A386 HydrophobicContact CG-CB 3.98Å; A386-Y388 HydrophobicContact CB-CE1 4.07Å; A386-Y388 HydrophobicContact CB-CE2 4.16Å
387	Y	97.2	Very high	94.3	Very high	43 Å²	43	48 Å²	48	17%	0.169	28%	0.281	C	S	.	.			trans	-111.4	123	162.5	170.5	-101.6	0	0	0	109.1	K359 F361 P378 E389 P390 N401	K359-Y387 HydrophobicContact CB-CD1 3.69Å; K359-Y387 HydrophobicContact CB-CG 4.38Å; K359-Y387 HydrophobicContact CD-CD1 3.72Å; K359-Y387 HydrophobicContact CD-CE1 3.89Å; K359-Y387 HydrophobicContact CG-CD1 4.36Å; K359-Y387 PolarHBondContact O-N 3.22Å; K359-Y387 VanDerWaalsContact O-N 3.12Å; F361-Y387 HydrophobicContact CD2-CD2 4.39Å; F361-Y387 HydrophobicContact CE1-CD2 4.19Å; F361-Y387 AromaticContact CE2-CD2 3.65Å; F361-Y387 HydrophobicContact CE2-CD2 3.65Å; F361-Y387 HydrophobicContact CE2-CG 4.38Å; F361-Y387 AromaticContact CZ-CD2 3.55Å; F361-Y387 HydrophobicContact CZ-CD2 3.55Å; F361-Y387 HydrophobicContact CZ-CE2 4.18Å; P378-Y387 HydrophobicContact CB-CD1 3.67Å; P378-Y387 HydrophobicContact CB-CD2 4Å; P378-Y387 HydrophobicContact CB-CE1 3.86Å; P378-Y387 HydrophobicContact CB-CE2 4.19Å; P378-Y387 HydrophobicContact CB-CG 3.71Å; P378-Y387 HydrophobicContact CG-CD1 4.06Å; P378-Y387 HydrophobicContact CG-CD2 3.55Å; P378-Y387 HydrophobicContact CG-CE1 3.97Å; P378-Y387 HydrophobicContact CG-CE2 3.47Å; P378-Y387 VanDerWaalsContact CG-CE2 3.47Å; P378-Y387 HydrophobicContact CG-CG 3.83Å; Y387-E389 HydrophobicContact CD1-CB 4.37Å; Y387-E389 HydrophobicContact CE1-CB 3.85Å; Y387-E389 HydrophobicContact CE1-CG 4.38Å; Y387-P390 WeakPolarHBondContact OH-CD 3.23Å; Y387-N401 HydrophobicContact CD2-CB 4.44Å; Y387-N401 WeakPolarHBondContact CE2-ND2 3.24Å
388	Y	96.4	Very high	94.3	Very high	22 Å²	22	47.8 Å²	47.8	9%	0.086	28%	0.276	C	S	.	.			trans	-96	98	179	-60.3	-63.9	0	0	0	110	P264 P266 A386 Y393 F397 M400 N401	P264-Y388 HydrophobicContact CB-CE1 4.08Å; P264-Y388 HydrophobicContact CG-CD1 4.19Å; P264-Y388 HydrophobicContact CG-CE1 3.42Å; P264-Y388 VanDerWaalsContact CG-CE1 3.42Å; P266-Y388 HydrophobicContact CG-CD1 4.15Å; P266-Y388 HydrophobicContact CG-CE1 3.77Å; A386-Y388 HydrophobicContact CB-CE1 4.07Å; A386-Y388 HydrophobicContact CB-CE2 4.16Å; Y388-Y393 AromaticContact CD1-CD1 3.92Å; Y388-Y393 HydrophobicContact CD1-CD1 3.92Å; Y388-Y393 HydrophobicContact CD1-CD2 4.04Å; Y388-Y393 HydrophobicContact CD1-CE1 4.17Å; Y388-Y393 HydrophobicContact CD1-CE2 4.27Å; Y388-Y393 AromaticContact CD1-CG 3.85Å; Y388-Y393 HydrophobicContact CD1-CG 3.85Å; Y388-Y393 HydrophobicContact CG-CG 4.45Å; Y388-F397 HydrophobicContact CD1-CB 4.02Å; Y388-F397 HydrophobicContact CD2-CB 3.78Å; Y388-F397 WeakPolarHBondContact CD2-O 3.12Å; Y388-F397 HydrophobicContact CE1-CB 4.42Å; Y388-F397 HydrophobicContact CE2-CB 4.16Å; Y388-F397 HydrophobicContact CG-CB 3.67Å; Y388-M400 HydrophobicContact CE2-SD 4.37Å; Y388-N401 PolarHBondContact N-OD1 2.89Å; Y388-N401 PolarHBondContact O-ND2 3.31Å
389	E	95.3	Very high	94.3	Very high	61 Å²	61	48.8 Å²	48.8	29%	0.285	29%	0.29	S	S	.	.			trans	-58.7	125.6	-179.1	-176.8	170.2	-115.2	0	0	112.1	K359 Y387 G391 R392 Y393	K359-E389 WeakPolarHBondContact CE-OE1 3.33Å; Y387-E389 HydrophobicContact CD1-CB 4.37Å; Y387-E389 HydrophobicContact CE1-CB 3.85Å; Y387-E389 HydrophobicContact CE1-CG 4.38Å; E389-G391 PolarHBondContact O-N 3.29Å; E389-R392 HydrophobicContact CB-CB 4.05Å; E389-R392 HydrophobicContact CG-CB 4.36Å; E389-R392 WeakPolarHBondContact O-CB 3.5Å; E389-R392 PolarHBondContact O-N 3.3Å; E389-R392 VanDerWaalsContact O-N 3.09Å; E389-Y393 PolarHBondContact O-N 2.99Å
390	P	95.6	Very high	94.3	Very high	78 Å²	78	51.9 Å²	51.9	51%	0.506	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-53.6	137.3	173.9	-25.5	32.9	0	0	0	112.4	Y387 R392 V398	Y387-P390 WeakPolarHBondContact OH-CD 3.23Å; P390-R392 PolarHBondContact O-N 3.24Å; P390-V398 HydrophobicContact CB-CG1 4.25Å; P390-V398 HydrophobicContact CG-CG1 3.82Å
391	G	92.3	Very high	94.6	Very high	77 Å²	77	46.6 Å²	46.6	79%	0.794	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-16.9	-176.9	0	0	0	0	0	114.8	E389	E389-G391 PolarHBondContact O-N 3.29Å
392	R	93.4	Very high	95	Very high	32 Å²	32	48 Å²	48	12%	0.121	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-38.6	174.9	-171	176.4	178.1	126.1	-1.1	112.9	E280 I355 G356 E389 P390	E280-R392 HydrophobicContact CB-CG 3.68Å; E280-R392 HydrophobicContact CG-CG 4.17Å; I355-R392 VanDerWaalsContact CG1-NH2 3.33Å; I355-R392 PolarHBondContact O-NH1 2.85Å; I355-R392 VanDerWaalsContact O-NH1 3.13Å; I355-R392 PolarHBondContact O-NH2 3.13Å; G356-R392 VanDerWaalsContact O-CZ 3.32Å; G356-R392 PolarHBondContact O-NH1 3.36Å; G356-R392 PolarHBondContact O-NH2 2.9Å; E389-R392 HydrophobicContact CB-CB 4.05Å; E389-R392 HydrophobicContact CG-CB 4.36Å; E389-R392 WeakPolarHBondContact O-CB 3.5Å; E389-R392 PolarHBondContact O-N 3.3Å; E389-R392 VanDerWaalsContact O-N 3.09Å; P390-R392 PolarHBondContact O-N 3.24Å
393	Y	95.9	Very high	95.6	Very high	9 Å²	9	52.3 Å²	52.3	4%	0.035	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-113.8	151.7	177.3	-61.7	-87.7	0	0	0	110.4	P264 P266 Y388 E389 V398	P264-Y393 HydrophobicContact CB-CD1 4.06Å; P264-Y393 HydrophobicContact CB-CE1 3.92Å; P264-Y393 HydrophobicContact CG-CD1 4.43Å; P266-Y393 WeakPolarHBondContact CA-OH 3.38Å; P266-Y393 WeakPolarHBondContact CB-OH 3.48Å; P266-Y393 HydrophobicContact CG-CE1 4.43Å; Y388-Y393 AromaticContact CD1-CD1 3.92Å; Y388-Y393 HydrophobicContact CD1-CD1 3.92Å; Y388-Y393 HydrophobicContact CD1-CD2 4.04Å; Y388-Y393 HydrophobicContact CD1-CE1 4.17Å; Y388-Y393 HydrophobicContact CD1-CE2 4.27Å; Y388-Y393 AromaticContact CD1-CG 3.85Å; Y388-Y393 HydrophobicContact CD1-CG 3.85Å; Y388-Y393 HydrophobicContact CG-CG 4.45Å; E389-Y393 PolarHBondContact O-N 2.99Å; Y393-V398 WeakPolarHBondContact O-CG2 3.38Å
394	P	95.7	Very high	95.9	Very high	21 Å²	21	52.2 Å²	52.2	14%	0.136	29%	0.294	C	S	.	.			trans	-51.6	145.1	171.7	-28.8	33.8	0	0	0	113.3	Q278 R396 F397 V398	Q278-P394 HydrophobicContact CB-CG 4.48Å; P394-R396 HydrophobicContact CB-CG 4.06Å; P394-R396 PolarHBondContact O-N 2.85Å; P394-F397 HydrophobicContact CB-CD2 4.12Å; P394-F397 HydrophobicContact CG-CD2 4.19Å; P394-F397 HydrophobicContact CG-CE2 4.34Å; P394-F397 PolarHBondContact O-N 2.88Å; P394-V398 PolarHBondContact O-N 3.25Å
395	D	96.2	Very high	96.2	Very high	131 Å²	131	54 Å²	54	70%	0.701	30%	0.302	S	S	*	.	H	α-helix	trans	-53.6	-30.8	-176.9	-69.7	-19.2	0	0	0	113.5	F397 V398 A399	D395-F397 PolarHBondContact O-N 3.24Å; D395-V398 PolarHBondContact O-N 3.03Å; D395-A399 WeakPolarHBondContact O-CB 3.25Å; D395-A399 PolarHBondContact O-N 3.26Å
396	R	95.1	Very high	96.2	Very high	70 Å²	70	59.1 Å²	59.1	26%	0.264	32%	0.324	S	S	.	.	H	α-helix	trans	-60.2	-30.3	176	67.2	-174	-177.7	-123.5	-4.9	113.5	E93 H272 D273 P394	E93-R396 IonicContact OE1-NH1 3.35Å; E93-R396 PolarHBondContact OE1-NH1 2.91Å; E93-R396 IonicContact OE2-NH1 3.06Å; E93-R396 PolarHBondContact OE2-NH1 3.36Å; H272-R396 PolarHBondContact CD2-NH2 3.02Å; D273-R396 IonicContact OD1-CZ 3.96Å; D273-R396 IonicContact OD1-NH2 2.64Å; D273-R396 PolarHBondContact OD1-NH2 3.39Å; D273-R396 IonicContact OD2-NH2 3.21Å; P394-R396 HydrophobicContact CB-CG 4.06Å; P394-R396 PolarHBondContact O-N 2.85Å
397	F	96.5	Very high	96.2	Very high	19 Å²	19	61 Å²	61	8%	0.083	33%	0.326	C	S	.	.	H	α-helix	trans	-87.6	-39.7	173.8	-62.1	-62.9	0	0	0	111.3	M262 P264 Y388 P394 D395 A399 M400	M262-F397 WeakPolarHBondContact O-CZ 3.19Å; P264-F397 HydrophobicContact CG-CD1 3.86Å; P264-F397 HydrophobicContact CG-CD2 4Å; P264-F397 HydrophobicContact CG-CE1 3.88Å; P264-F397 HydrophobicContact CG-CE2 3.99Å; P264-F397 HydrophobicContact CG-CG 3.94Å; P264-F397 HydrophobicContact CG-CZ 3.95Å; Y388-F397 HydrophobicContact CD1-CB 4.02Å; Y388-F397 HydrophobicContact CD2-CB 3.78Å; Y388-F397 WeakPolarHBondContact CD2-O 3.12Å; Y388-F397 HydrophobicContact CE1-CB 4.42Å; Y388-F397 HydrophobicContact CE2-CB 4.16Å; Y388-F397 HydrophobicContact CG-CB 3.67Å; P394-F397 HydrophobicContact CB-CD2 4.12Å; P394-F397 HydrophobicContact CG-CD2 4.19Å; P394-F397 HydrophobicContact CG-CE2 4.34Å; P394-F397 PolarHBondContact O-N 2.88Å; D395-F397 PolarHBondContact O-N 3.24Å; F397-A399 PolarHBondContact O-N 2.75Å; F397-M400 HydrophobicContact CD1-SD 3.97Å; F397-M400 VanDerWaalsContact O-CB 3.23Å; F397-M400 WeakPolarHBondContact O-CB 3.33Å; F397-M400 PolarHBondContact O-N 2.86Å
398	V	97.6	Very high	96.3	Very high	27 Å²	27	59 Å²	59	16%	0.164	32%	0.318	C	S	.	.	H	α-helix	trans	-56.1	-39.9	175.7	179.7	0	0	0	0	111.2	P390 Y393 P394 D395 M400 N401	P390-V398 HydrophobicContact CB-CG1 4.25Å; P390-V398 HydrophobicContact CG-CG1 3.82Å; Y393-V398 WeakPolarHBondContact O-CG2 3.38Å; P394-V398 PolarHBondContact O-N 3.25Å; D395-V398 PolarHBondContact O-N 3.03Å; V398-M400 PolarHBondContact O-N 3.24Å; V398-M400 VanDerWaalsContact O-N 3.13Å; V398-N401 VanDerWaalsContact O-CB 3.25Å; V398-N401 WeakPolarHBondContact O-CB 3.35Å; V398-N401 VanDerWaalsContact O-CG 3.31Å; V398-N401 PolarHBondContact O-N 3.5Å; V398-N401 PolarHBondContact O-ND2 3.48Å
399	A	97.3	Very high	96.3	Very high	77 Å²	77	59.5 Å²	59.5	64%	0.636	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.3	175.8	0	0	0	0	0	113.8	D395 F397 N401	D395-A399 WeakPolarHBondContact O-CB 3.25Å; D395-A399 PolarHBondContact O-N 3.26Å; F397-A399 PolarHBondContact O-N 2.75Å; A399-N401 VanDerWaalsContact C-N 3.29Å
400	M	96.2	Very high	96.3	Very high	79 Å²	79	61.3 Å²	61.3	39%	0.389	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.4	176.9	-56.9	176	63.3	0	0	112.9	Y388 F397 V398 E402 Q403 A404	Y388-M400 HydrophobicContact CE2-SD 4.37Å; F397-M400 HydrophobicContact CD1-SD 3.97Å; F397-M400 VanDerWaalsContact O-CB 3.23Å; F397-M400 WeakPolarHBondContact O-CB 3.33Å; F397-M400 PolarHBondContact O-N 2.86Å; V398-M400 PolarHBondContact O-N 3.24Å; V398-M400 VanDerWaalsContact O-N 3.13Å; M400-E402 VanDerWaalsContact C-N 3.3Å; M400-E402 PolarHBondContact O-N 2.9Å; M400-Q403 PolarHBondContact O-N 3.41Å; M400-A404 WeakPolarHBondContact O-CB 3.21Å; M400-A404 PolarHBondContact O-N 3.02Å
401	N	97.9	Very high	96.4	Very high	15 Å²	15	57.8 Å²	57.8	8%	0.08	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-36.9	-175.6	-75.4	-25.8	0	0	0	113.1	F361 Y387 Y388 V398 A399 Q403 A404 E405	F361-N401 HydrophobicContact CE2-CB 4.04Å; F361-N401 WeakPolarHBondContact CE2-O 3.22Å; F361-N401 HydrophobicContact CZ-CB 4.02Å; F361-N401 WeakPolarHBondContact CZ-O 3.18Å; Y387-N401 HydrophobicContact CD2-CB 4.44Å; Y387-N401 WeakPolarHBondContact CE2-ND2 3.24Å; Y388-N401 PolarHBondContact N-OD1 2.89Å; Y388-N401 PolarHBondContact O-ND2 3.31Å; V398-N401 VanDerWaalsContact O-CB 3.25Å; V398-N401 WeakPolarHBondContact O-CB 3.35Å; V398-N401 VanDerWaalsContact O-CG 3.31Å; V398-N401 PolarHBondContact O-N 3.5Å; V398-N401 PolarHBondContact O-ND2 3.48Å; A399-N401 VanDerWaalsContact C-N 3.29Å; N401-Q403 VanDerWaalsContact C-N 3.34Å; N401-Q403 PolarHBondContact O-N 3.32Å; N401-A404 PolarHBondContact O-N 2.99Å; N401-E405 WeakPolarHBondContact O-CB 3.28Å; N401-E405 PolarHBondContact O-N 3.09Å
402	E	97.5	Very high	96.6	Very high	123 Å²	123	54.1 Å²	54.1	58%	0.575	27%	0.271	S	S	*	.	H	α-helix	trans	-62.1	-43.8	179.8	-170.2	-165.8	152.5	0	0	111.3	M400 K406	M400-E402 VanDerWaalsContact C-N 3.3Å; M400-E402 PolarHBondContact O-N 2.9Å; E402-K406 WeakPolarHBondContact O-CG 3.34Å; E402-K406 PolarHBondContact O-N 3.19Å; E402-K406 WeakPolarHBondContact OE1-CE 3.34Å; E402-K406 IonicContact OE1-NZ 3.61Å; E402-K406 PolarHBondContact OE1-NZ 2.95Å
403	Q	96.3	Very high	96.7	Very high	118 Å²	118	55.6 Å²	55.6	55%	0.551	28%	0.277	S	S	*	.	H	α-helix	trans	-70.4	-37	177.1	-171.3	179	19.1	0	0	111.4	M400 N401 K406 R407	M400-Q403 PolarHBondContact O-N 3.41Å; N401-Q403 VanDerWaalsContact C-N 3.34Å; N401-Q403 PolarHBondContact O-N 3.32Å; Q403-K406 PolarHBondContact O-N 3.46Å; Q403-R407 WeakPolarHBondContact O-CB 3.41Å; Q403-R407 PolarHBondContact O-N 2.79Å
404	A	97.2	Very high	96.6	Very high	17 Å²	17	63.8 Å²	63.8	14%	0.14	31%	0.308	C	S	.	.	H	α-helix	trans	-63.9	-41.5	177.3	0	0	0	0	0	111.9	F361 I385 M400 N401 R407 C408	F361-A404 HydrophobicContact CD2-CB 3.7Å; F361-A404 HydrophobicContact CE2-CB 3.68Å; I385-A404 HydrophobicContact CG2-CB 3.78Å; I385-A404 WeakPolarHBondContact CG2-O 3.22Å; M400-A404 WeakPolarHBondContact O-CB 3.21Å; M400-A404 PolarHBondContact O-N 3.02Å; N401-A404 PolarHBondContact O-N 2.99Å; A404-R407 WeakPolarHBondContact O-CB 3.45Å; A404-R407 PolarHBondContact O-N 3Å; A404-C408 PolarHBondContact O-N 3.3Å
405	E	98.1	Very high	96.6	Very high	85 Å²	85	64.6 Å²	64.6	40%	0.397	31%	0.311	S	S	.	.	H	α-helix	trans	-60.8	-49.6	174.9	-170.3	-177.4	166.3	0	0	111.4	F361 C376 N401 R407 C408 V409	F361-E405 HydrophobicContact CD1-CB 4.03Å; F361-E405 HydrophobicContact CD1-CG 4.09Å; F361-E405 HydrophobicContact CE1-CB 3.59Å; F361-E405 HydrophobicContact CE1-CG 3.77Å; F361-E405 HydrophobicContact CE2-CB 4.38Å; F361-E405 HydrophobicContact CZ-CB 3.77Å; F361-E405 HydrophobicContact CZ-CG 4.43Å; C376-E405 HydrophobicContact CB-CG 4.24Å; N401-E405 WeakPolarHBondContact O-CB 3.28Å; N401-E405 PolarHBondContact O-N 3.09Å; E405-R407 VanDerWaalsContact C-N 3.28Å; E405-R407 PolarHBondContact O-N 3.16Å; E405-C408 WeakPolarHBondContact O-CB 3.49Å; E405-C408 PolarHBondContact O-N 3.42Å; E405-V409 PolarHBondContact O-N 2.99Å
406	K	97	Very high	96.6	Very high	113 Å²	113	60.1 Å²	60.1	49%	0.491	29%	0.289	S	S	.	.	H	α-helix	trans	-57.8	-42.2	176.4	-70	173.3	-171.2	169.1	0	111.5	E402 Q403 C408 V409 Q410	E402-K406 WeakPolarHBondContact O-CG 3.34Å; E402-K406 PolarHBondContact O-N 3.19Å; E402-K406 WeakPolarHBondContact OE1-CE 3.34Å; E402-K406 IonicContact OE1-NZ 3.61Å; E402-K406 PolarHBondContact OE1-NZ 2.95Å; Q403-K406 PolarHBondContact O-N 3.46Å; K406-C408 VanDerWaalsContact C-N 3.35Å; K406-V409 PolarHBondContact O-N 3.21Å; K406-Q410 WeakPolarHBondContact O-CG 3.3Å; K406-Q410 PolarHBondContact O-N 3.08Å; K406-Q410 VanDerWaalsContact O-N 3.09Å
407	R	96.1	Very high	96.6	Very high	64 Å²	64	61 Å²	61	24%	0.242	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-45	175.2	-177.1	-176	179.1	-177.3	8.3	110.8	E226 I385 Q403 A404 E405 V409 Q410 T411	E226-R407 VanDerWaalsContact CD-CZ 3.41Å; E226-R407 VanDerWaalsContact CD-NH2 3.3Å; E226-R407 IonicContact OE1-CZ 3.64Å; E226-R407 IonicContact OE1-NE 3.33Å; E226-R407 IonicContact OE1-NH1 3.27Å; E226-R407 PolarHBondContact OE1-NH1 2.91Å; E226-R407 IonicContact OE1-NH2 2.65Å; E226-R407 PolarHBondContact OE1-NH2 3.44Å; E226-R407 IonicContact OE2-CZ 2.66Å; E226-R407 IonicContact OE2-NH1 3.9Å; E226-R407 PolarHBondContact OE2-NH1 3.5Å; E226-R407 IonicContact OE2-NH2 3.61Å; E226-R407 PolarHBondContact OE2-NH2 3.11Å; I385-R407 HydrophobicContact CD1-CB 4.49Å; I385-R407 HydrophobicContact CD1-CG 4.06Å; Q403-R407 WeakPolarHBondContact O-CB 3.41Å; Q403-R407 PolarHBondContact O-N 2.79Å; A404-R407 WeakPolarHBondContact O-CB 3.45Å; A404-R407 PolarHBondContact O-N 3Å; E405-R407 VanDerWaalsContact C-N 3.28Å; E405-R407 PolarHBondContact O-N 3.16Å; R407-V409 PolarHBondContact O-N 3.09Å; R407-Q410 WeakPolarHBondContact O-CB 3.43Å; R407-Q410 PolarHBondContact O-N 3.41Å; R407-T411 WeakPolarHBondContact O-CG2 3.43Å; R407-T411 PolarHBondContact O-N 3.3Å
408	C	97.8	Very high	96.5	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-58.2	-47.8	177.7	173.3	0	0	0	0	111.6	F361 C376 I385 A404 E405 K406 Q410 T411 I412	F361-C408 HydrophobicContact CB-CB 3.73Å; C376-C408 HydrophobicContact CB-CB 3.67Å; C376-C408 WeakPolarHBondContact CB-SG 3.43Å; C376-C408 WeakPolarHBondContact SG-CB 3.44Å; C376-C408 CovalentContact SG-SG 2.03Å; C376-C408 PolarHBondContact SG-SG 3.04Å; I385-C408 VanDerWaalsContact CD1-CA 3.42Å; I385-C408 HydrophobicContact CD1-CB 3.72Å; A404-C408 PolarHBondContact O-N 3.3Å; E405-C408 WeakPolarHBondContact O-CB 3.49Å; E405-C408 PolarHBondContact O-N 3.42Å; K406-C408 VanDerWaalsContact C-N 3.35Å; C408-Q410 VanDerWaalsContact C-N 3.29Å; C408-Q410 PolarHBondContact O-N 2.98Å; C408-T411 WeakPolarHBondContact CA-OG1 3.48Å; C408-T411 PolarHBondContact O-N 3.06Å; C408-T411 PolarHBondContact O-OG1 2.96Å; C408-I412 PolarHBondContact O-N 3.45Å; C408-I412 VanDerWaalsContact O-N 3.08Å
409	V	97.3	Very high	96.3	Very high	33 Å²	33	61 Å²	61	20%	0.2	30%	0.304	C	S	.	.	H	α-helix	trans	-58.1	-43.7	177	174.7	0	0	0	0	110.9	C376 E405 K406 R407 T411 I412 Y413	C376-V409 HydrophobicContact CB-CG2 4.21Å; C376-V409 PolarHBondContact SG-N 2.85Å; E405-V409 PolarHBondContact O-N 2.99Å; K406-V409 PolarHBondContact O-N 3.21Å; R407-V409 PolarHBondContact O-N 3.09Å; V409-T411 VanDerWaalsContact C-N 3.28Å; V409-T411 PolarHBondContact O-N 3.33Å; V409-I412 WeakPolarHBondContact O-CB 3.37Å; V409-I412 PolarHBondContact O-N 3.26Å; V409-Y413 HydrophobicContact CG1-CD2 4.02Å; V409-Y413 HydrophobicContact CG1-CE2 3.89Å; V409-Y413 WeakPolarHBondContact O-CD2 3.36Å; V409-Y413 PolarHBondContact O-N 2.85Å
410	Q	96.1	Very high	96.2	Very high	99 Å²	99	60.3 Å²	60.3	46%	0.463	30%	0.304	S	S	.	.	H	α-helix	trans	-59.9	-38	175.8	-69.2	172.3	5.9	0	0	112.6	K406 R407 C408 Y413 R414	K406-Q410 WeakPolarHBondContact O-CG 3.3Å; K406-Q410 PolarHBondContact O-N 3.08Å; K406-Q410 VanDerWaalsContact O-N 3.09Å; R407-Q410 WeakPolarHBondContact O-CB 3.43Å; R407-Q410 PolarHBondContact O-N 3.41Å; C408-Q410 VanDerWaalsContact C-N 3.29Å; C408-Q410 PolarHBondContact O-N 2.98Å; Q410-Y413 PolarHBondContact O-N 3.23Å; Q410-R414 WeakPolarHBondContact O-CB 3.08Å; Q410-R414 VanDerWaalsContact O-CG 3.24Å; Q410-R414 WeakPolarHBondContact O-CG 3.11Å; Q410-R414 PolarHBondContact O-N 3.03Å
411	T	96.4	Very high	96.1	Very high	4 Å²	4	56.9 Å²	56.9	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-68.7	-34.3	178.4	59.3	0	0	0	0	113	Y189 F190 I385 R407 C408 V409 Y413 R414 N415 Y419	Y189-T411 HydrophobicContact CE1-CG2 3.47Å; Y189-T411 VanDerWaalsContact CE1-CG2 3.47Å; F190-T411 HydrophobicContact CE1-CG2 3.98Å; F190-T411 HydrophobicContact CZ-CG2 3.8Å; I385-T411 HydrophobicContact CD1-CG2 4.17Å; R407-T411 WeakPolarHBondContact O-CG2 3.43Å; R407-T411 PolarHBondContact O-N 3.3Å; C408-T411 WeakPolarHBondContact CA-OG1 3.48Å; C408-T411 PolarHBondContact O-N 3.06Å; C408-T411 PolarHBondContact O-OG1 2.96Å; V409-T411 VanDerWaalsContact C-N 3.28Å; V409-T411 PolarHBondContact O-N 3.33Å; T411-Y413 PolarHBondContact O-N 3.44Å; T411-R414 PolarHBondContact O-N 3.1Å; T411-N415 PolarHBondContact O-N 3.32Å; T411-Y419 PolarHBondContact OG1-OH 2.95Å
412	I	96.2	Very high	96	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.7	-48.1	174.5	-67.4	174.3	0	0	0	110.6	P363 C374 C376 C408 V409 P416 Y419 M421 L429	P363-I412 HydrophobicContact CB-CD1 3.8Å; P363-I412 HydrophobicContact CG-CD1 3.78Å; P363-I412 HydrophobicContact CG-CG1 3.99Å; C374-I412 HydrophobicContact CB-CG2 3.89Å; C376-I412 WeakPolarHBondContact SG-CD1 3.45Å; C408-I412 PolarHBondContact O-N 3.45Å; C408-I412 VanDerWaalsContact O-N 3.08Å; V409-I412 WeakPolarHBondContact O-CB 3.37Å; V409-I412 PolarHBondContact O-N 3.26Å; I412-P416 VanDerWaalsContact O-CA 3.22Å; I412-P416 WeakPolarHBondContact O-CA 3.31Å; I412-P416 VanDerWaalsContact O-CB 3.28Å; I412-P416 WeakPolarHBondContact O-CB 3.42Å; I412-P416 WeakPolarHBondContact O-CD 3.1Å; I412-P416 VanDerWaalsContact O-N 3.1Å; I412-Y419 HydrophobicContact CG1-CD2 4.15Å; I412-Y419 HydrophobicContact CG1-CE2 3.89Å; I412-M421 HydrophobicContact CG2-CE 3.78Å; I412-M421 HydrophobicContact CG2-SD 3.96Å; I412-L429 HydrophobicContact CG2-CD2 3.79Å
413	Y	95.6	Very high	95.8	Very high	64 Å²	64	53.9 Å²	53.9	25%	0.251	29%	0.286	S	S	.	.	H	α-helix	trans	-74	-31.2	-178.8	-75.4	-73.4	0	0	0	113.5	P373 C374 V409 Q410 T411 C428 L429 I431	P373-Y413 WeakPolarHBondContact CA-OH 3.45Å; C374-Y413 HydrophobicContact CB-CE2 3.86Å; C374-Y413 PolarHBondContact N-OH 2.91Å; V409-Y413 HydrophobicContact CG1-CD2 4.02Å; V409-Y413 HydrophobicContact CG1-CE2 3.89Å; V409-Y413 WeakPolarHBondContact O-CD2 3.36Å; V409-Y413 PolarHBondContact O-N 2.85Å; Q410-Y413 PolarHBondContact O-N 3.23Å; T411-Y413 PolarHBondContact O-N 3.44Å; Y413-C428 PolarHBondContact OH-O 2.89Å; Y413-L429 HydrophobicContact CD1-CD2 4.13Å; Y413-L429 HydrophobicContact CE1-CD2 4.31Å; Y413-I431 PolarHBondContact OH-O 3.29Å
414	R	95.3	Very high	95.6	Very high	180 Å²	180	53.4 Å²	53.4	68%	0.679	30%	0.296	S	S	*	.	H	α-helix	trans	-80.1	-32.7	-179.7	-73.6	176.9	-179.2	-179.4	3.4	113.4	Q410 T411	Q410-R414 WeakPolarHBondContact O-CB 3.08Å; Q410-R414 VanDerWaalsContact O-CG 3.24Å; Q410-R414 WeakPolarHBondContact O-CG 3.11Å; Q410-R414 PolarHBondContact O-N 3.03Å; T411-R414 PolarHBondContact O-N 3.1Å
415	N	95.8	Very high	95.5	Very high	39 Å²	39	56.8 Å²	56.8	21%	0.209	32%	0.315	C	S	.	.			trans	-148.4	65.9	-177.8	-169.6	11.4	0	0	0	111.8	Y189 T411 S417 M418	Y189-N415 HydrophobicContact CD2-CB 3.67Å; Y189-N415 VanDerWaalsContact CD2-ND2 3.26Å; Y189-N415 WeakPolarHBondContact CD2-ND2 3Å; Y189-N415 HydrophobicContact CE2-CB 3.55Å; T411-N415 PolarHBondContact O-N 3.32Å; N415-S417 PolarHBondContact O-N 2.89Å; N415-S417 PolarHBondContact OD1-OG 2.66Å; N415-M418 HydrophobicContact CB-CB 4.48Å; N415-M418 VanDerWaalsContact O-CB 3.24Å; N415-M418 WeakPolarHBondContact O-CB 3.11Å; N415-M418 PolarHBondContact O-N 3.27Å; N415-M418 VanDerWaalsContact O-N 3.12Å
416	P	95.1	Very high	95.4	Very high	36 Å²	36	53 Å²	53	23%	0.234	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-61.4	-29.7	-176.8	23.6	-32.8	0	0	0	112.6	I412 M418 Y419 G420 M421 L429	I412-P416 VanDerWaalsContact O-CA 3.22Å; I412-P416 WeakPolarHBondContact O-CA 3.31Å; I412-P416 VanDerWaalsContact O-CB 3.28Å; I412-P416 WeakPolarHBondContact O-CB 3.42Å; I412-P416 WeakPolarHBondContact O-CD 3.1Å; I412-P416 VanDerWaalsContact O-N 3.1Å; P416-M418 PolarHBondContact O-N 2.61Å; P416-Y419 PolarHBondContact O-N 3.06Å; P416-G420 PolarHBondContact O-N 3.03Å; P416-M421 CarbonylContact C-O 3.51Å; P416-M421 HydrophobicContact CB-CB 3.91Å; P416-M421 WeakPolarHBondContact O-CB 3.49Å; P416-M421 PolarHBondContact O-N 3.18Å; P416-L429 HydrophobicContact CB-CD1 3.64Å; P416-L429 HydrophobicContact CB-CD2 3.99Å; P416-L429 HydrophobicContact CG-CD1 4.25Å
417	S	95.2	Very high	95.4	Very high	88 Å²	88	51.5 Å²	51.5	62%	0.615	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-61.6	-26.6	178.8	73.4	0	0	0	0	113.6	N415 Y419 G420	N415-S417 PolarHBondContact O-N 2.89Å; N415-S417 PolarHBondContact OD1-OG 2.66Å; S417-Y419 PolarHBondContact O-N 3.09Å; S417-G420 PolarHBondContact O-N 3.43Å
418	M	94.8	Very high	95.4	Very high	19 Å²	19	48.5 Å²	48.5	9%	0.094	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-58.2	-31	173.4	-173.8	171.6	67.9	0	0	112.1	E186 Y189 F190 N415 P416	E186-M418 HydrophobicContact CB-SD 4.49Å; E186-M418 HydrophobicContact CG-CG 4.13Å; E186-M418 HydrophobicContact CG-SD 4.34Å; Y189-M418 WeakPolarHBondContact CB-SD 3.32Å; Y189-M418 HydrophobicContact CD1-CE 3.95Å; Y189-M418 HydrophobicContact CD1-SD 3.76Å; Y189-M418 HydrophobicContact CE1-CE 4.37Å; Y189-M418 HydrophobicContact CG-CE 4.31Å; Y189-M418 HydrophobicContact CG-SD 3.67Å; F190-M418 HydrophobicContact CD2-SD 4.29Å; F190-M418 HydrophobicContact CE2-CE 3.65Å; F190-M418 HydrophobicContact CE2-SD 3.88Å; F190-M418 HydrophobicContact CZ-CE 4.2Å; N415-M418 HydrophobicContact CB-CB 4.48Å; N415-M418 VanDerWaalsContact O-CB 3.24Å; N415-M418 WeakPolarHBondContact O-CB 3.11Å; N415-M418 PolarHBondContact O-N 3.27Å; N415-M418 VanDerWaalsContact O-N 3.12Å; P416-M418 PolarHBondContact O-N 2.61Å
419	Y	94.1	Very high	95.3	Very high	27 Å²	27	50 Å²	50	11%	0.106	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-100.3	6.4	179.5	-57.8	-73.7	0	0	0	113	P363 T411 I412 P416 S417 M421	P363-Y419 HydrophobicContact CG-CD1 3.65Å; P363-Y419 HydrophobicContact CG-CD2 4.22Å; P363-Y419 HydrophobicContact CG-CE1 4.17Å; P363-Y419 HydrophobicContact CG-CG 3.67Å; T411-Y419 PolarHBondContact OG1-OH 2.95Å; I412-Y419 HydrophobicContact CG1-CD2 4.15Å; I412-Y419 HydrophobicContact CG1-CE2 3.89Å; P416-Y419 PolarHBondContact O-N 3.06Å; S417-Y419 PolarHBondContact O-N 3.09Å; Y419-M421 PolarHBondContact O-N 3.12Å
420	G	93.9	Very high	95.1	Very high	63 Å²	63	53 Å²	53	65%	0.649	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	19.5	-172.1	0	0	0	0	0	114.1	P416 S417	P416-G420 PolarHBondContact O-N 3.03Å; S417-G420 PolarHBondContact O-N 3.43Å
421	M	95.6	Very high	94.8	Very high	8 Å²	8	51.1 Å²	51.1	4%	0.039	30%	0.299	C	S	.	.			trans	-94	148.6	-179.4	-59.7	172.3	67.7	0	0	111.6	P363 W365 T368 I412 P416 Y419 L429	P363-M421 HydrophobicContact CB-SD 3.81Å; P363-M421 HydrophobicContact CG-SD 3.67Å; W365-M421 HydrophobicContact CH2-CG 4.41Å; W365-M421 HydrophobicContact CZ3-CG 4.07Å; W365-M421 HydrophobicContact CZ3-SD 4.24Å; T368-M421 HydrophobicContact CG2-CE 3.72Å; T368-M421 HydrophobicContact CG2-SD 4.46Å; I412-M421 HydrophobicContact CG2-CE 3.78Å; I412-M421 HydrophobicContact CG2-SD 3.96Å; P416-M421 CarbonylContact C-O 3.51Å; P416-M421 HydrophobicContact CB-CB 3.91Å; P416-M421 WeakPolarHBondContact O-CB 3.49Å; P416-M421 PolarHBondContact O-N 3.18Å; Y419-M421 PolarHBondContact O-N 3.12Å; M421-L429 HydrophobicContact CB-CD1 3.94Å; M421-L429 HydrophobicContact CE-CD1 4.39Å; M421-L429 HydrophobicContact CE-CD2 4.46Å; M421-L429 HydrophobicContact CE-CG 4.24Å
422	S	95.5	Very high	93.7	Very high	42 Å²	42	58.1 Å²	58.1	29%	0.294	34%	0.336	S	S	.	.			trans	-149.6	162.3	175.5	70.1	0	0	0	0	109.9	S424 T425 S426	S422-S424 PolarHBondContact O-N 3.2Å; S422-S424 VanDerWaalsContact O-N 3.09Å; S422-S424 PolarHBondContact OG-OG 3.13Å; S422-T425 PolarHBondContact N-OG1 3.43Å; S422-T425 PolarHBondContact O-N 3.44Å; S422-T425 PolarHBondContact O-OG1 3.34Å; S422-T425 PolarHBondContact OG-N 2.87Å; S422-T425 VanDerWaalsContact OG-N 3.16Å; S422-T425 PolarHBondContact OG-OG1 2.05Å; S422-S426 PolarHBondContact O-N 3.2Å
423	G	92.4	Very high	92	Very high	32 Å²	32	59.5 Å²	59.5	33%	0.33	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.8	177.3	0	0	0	0	0	114.1	N430	G423-N430 PolarHBondContact O-ND2 2.65Å
424	S	92.7	Very high	89.8	Confident	108 Å²	108	71 Å²	71	76%	0.755	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-29.1	174.8	44.4	0	0	0	0	114.3	S422	S422-S424 PolarHBondContact O-N 3.2Å; S422-S424 VanDerWaalsContact O-N 3.09Å; S422-S424 PolarHBondContact OG-OG 3.13Å
425	T	94.6	Very high	89.5	Confident	88 Å²	88	65.6 Å²	65.6	54%	0.54	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-15.7	-177.7	55.6	0	0	0	0	113.1	S422	S422-T425 PolarHBondContact N-OG1 3.43Å; S422-T425 PolarHBondContact O-N 3.44Å; S422-T425 PolarHBondContact O-OG1 3.34Å; S422-T425 PolarHBondContact OG-N 2.87Å; S422-T425 VanDerWaalsContact OG-N 3.16Å; S422-T425 PolarHBondContact OG-OG1 2.05Å
426	S	96.6	Very high	89.2	Confident	5 Å²	5	66.9 Å²	66.9	4%	0.035	39%	0.388	C	S	.	.			trans	-141.3	95.2	-174.8	-53.1	0	0	0	0	110.4	T368 S422 C428 L429	T368-S426 CarbonylContact O-C 3.27Å; T368-S426 VanDerWaalsContact O-C 3.27Å; T368-S426 VanDerWaalsContact O-CA 3.3Å; T368-S426 WeakPolarHBondContact O-CA 3.27Å; S422-S426 PolarHBondContact O-N 3.2Å; S426-C428 PolarHBondContact O-N 3.5Å; S426-C428 VanDerWaalsContact O-N 3.13Å; S426-L429 WeakPolarHBondContact O-CB 3.23Å; S426-L429 PolarHBondContact O-N 3.25Å; S426-L429 VanDerWaalsContact O-N 3.12Å
427	L	95.7	Very high	88.9	Confident	83 Å²	83	68.7 Å²	68.7	44%	0.435	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-58.7	-26	-177.9	-66.8	-171.7	0	0	0	113.1	T368 W369 K370 L429 N430	T368-L427 PolarHBondContact O-N 3.13Å; W369-L427 VanDerWaalsContact O-CD1 3.32Å; W369-L427 WeakPolarHBondContact O-CD1 3.44Å; K370-L427 CarbonylContact O-C 3.51Å; L427-L429 PolarHBondContact O-N 2.87Å; L427-N430 WeakPolarHBondContact O-CB 3.44Å; L427-N430 PolarHBondContact O-N 2.97Å
428	C	96.8	Very high	88.5	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-61.6	-25.4	179	77	0	0	0	0	113.6	T368 K370 E372 C374 Y413 S426 N430 I431	T368-C428 PolarHBondContact O-N 3.2Å; T368-C428 VanDerWaalsContact O-N 3.13Å; K370-C428 PolarHBondContact O-N 3Å; E372-C428 WeakPolarHBondContact O-CA 3.35Å; E372-C428 WeakPolarHBondContact O-CB 3.26Å; C374-C428 VanDerWaalsContact CA-SG 3.51Å; C374-C428 HydrophobicContact CB-CB 3.9Å; C374-C428 WeakPolarHBondContact CB-SG 3.34Å; C374-C428 WeakPolarHBondContact SG-CB 3.47Å; C374-C428 PolarHBondContact SG-O 3.46Å; C374-C428 CovalentContact SG-SG 2.05Å; C374-C428 PolarHBondContact SG-SG 3.12Å; Y413-C428 PolarHBondContact OH-O 2.89Å; S426-C428 PolarHBondContact O-N 3.5Å; S426-C428 VanDerWaalsContact O-N 3.13Å; C428-N430 VanDerWaalsContact C-N 3.26Å; C428-N430 PolarHBondContact O-N 3.33Å; C428-I431 PolarHBondContact O-N 3.05Å
429	L	96.3	Very high	88.1	Confident	31 Å²	31	70.6 Å²	70.6	16%	0.162	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-70.8	-23.3	177.4	-69.5	173.9	0	0	0	112.7	C374 I412 Y413 P416 M421 S426 L427 I431	C374-L429 PolarHBondContact SG-N 3.13Å; C374-L429 VanDerWaalsContact SG-N 3.43Å; I412-L429 HydrophobicContact CG2-CD2 3.79Å; Y413-L429 HydrophobicContact CD1-CD2 4.13Å; Y413-L429 HydrophobicContact CE1-CD2 4.31Å; P416-L429 HydrophobicContact CB-CD1 3.64Å; P416-L429 HydrophobicContact CB-CD2 3.99Å; P416-L429 HydrophobicContact CG-CD1 4.25Å; M421-L429 HydrophobicContact CB-CD1 3.94Å; M421-L429 HydrophobicContact CE-CD1 4.39Å; M421-L429 HydrophobicContact CE-CD2 4.46Å; M421-L429 HydrophobicContact CE-CG 4.24Å; S426-L429 WeakPolarHBondContact O-CB 3.23Å; S426-L429 PolarHBondContact O-N 3.25Å; S426-L429 VanDerWaalsContact O-N 3.12Å; L427-L429 PolarHBondContact O-N 2.87Å; L429-I431 VanDerWaalsContact C-N 3.25Å
430	N	93.5	Very high	87.7	Confident	98 Å²	98	73.5 Å²	73.5	52%	0.524	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-82.2	-8.4	179.7	-58.5	-33.9	0	0	0	112.1	G423 L427 C428	G423-N430 PolarHBondContact O-ND2 2.65Å; L427-N430 WeakPolarHBondContact O-CB 3.44Å; L427-N430 PolarHBondContact O-N 2.97Å; C428-N430 VanDerWaalsContact C-N 3.26Å; C428-N430 PolarHBondContact O-N 3.33Å
431	I	88.7	Confident	87.3	Confident	58 Å²	58	74.2 Å²	74.2	30%	0.297	41%	0.405	S	S	.	.	S	Bend	trans	-97.1	122.8	174	-51.7	-56.5	0	0	0	107.7	A371 P373 Y413 C428 L429 G433	A371-I431 HydrophobicContact CB-CD1 4.42Å; P373-I431 HydrophobicContact CG-CG2 3.88Å; Y413-I431 PolarHBondContact OH-O 3.29Å; C428-I431 PolarHBondContact O-N 3.05Å; L429-I431 VanDerWaalsContact C-N 3.25Å; I431-G433 PolarHBondContact O-N 2.73Å
432	N	72.6	Confident	86.6	Confident	152 Å²	152	79.3 Å²	79.3	81%	0.813	43%	0.433	S	S	*	.			trans	-56.7	103.2	175.8	-82.3	-24.3	0	0	0	109.8	R434	N432-R434 VanDerWaalsContact C-N 3.32Å
433	G	61	Low	85.9	Confident	29 Å²	29	82.4 Å²	82.4	30%	0.299	45%	0.445	S	S	.	.			trans	-94.9	29.9	174.7	0	0	0	0	0	113.4	I431	I431-G433 PolarHBondContact O-N 2.73Å
434	R	50	Low	85.3	Confident	305 Å²	305	87 Å²	87	100%	1.151	46%	0.456	S	S	*	.			trans	-76.5	0	179.8	-80	-167.6	-175.1	-174.1	3.3	112.3	N432	N432-R434 VanDerWaalsContact C-N 3.32Å

Retrieved 434 of 434 residues in 390.3 ms (Link to these results)

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