A0A096MXD5_PAPAN Loading...

Sestrin 1

AlphaFold DB (Q4R6P7), UniProt , Accession A0A096MXD5, Species PAPAN (Papio anubis, Olive baboon), Gene SESN1, Length 492 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	31.3	Very low	32.2	Very low	243 Å²	243	158.2 Å²	158.2	100%	1.197	87%	0.867	S	S	*	*				0	85.2	0	-157	177.4	-163.7	0	0	109.1
2	R	30	Very low	31.9	Very low	248 Å²	248	155.9 Å²	155.9	94%	0.936	86%	0.862	S	S	*	*			trans	-149.1	89.6	167.1	-82.5	-169.3	178.2	174.1	-1	105.6	A4	R2-A4 PolarHBondContact O-N 3.21Å
3	L	34.9	Very low	32.2	Very low	171 Å²	171	149.1 Å²	149.1	90%	0.895	84%	0.838	S	S	*	*			trans	-72.2	119	170.8	-80.1	158.5	0	0	0	106.7	T5	L3-T5 PolarHBondContact O-N 2.94Å
4	A	35.1	Very low	32.3	Very low	101 Å²	101	147.9 Å²	147.9	84%	0.835	84%	0.839	S	S	*	*			trans	-70.2	109.4	178.9	0	0	0	0	0	109.2	R2 A6	R2-A4 PolarHBondContact O-N 3.21Å; A4-A6 PolarHBondContact O-N 2.65Å
5	T	30	Very low	32.2	Very low	140 Å²	140	146.1 Å²	146.1	86%	0.859	83%	0.826	S	S	*	*			trans	-73.8	94.8	165.5	44.8	0	0	0	0	108.5	L3	L3-T5 PolarHBondContact O-N 2.94Å
6	A	35.8	Very low	32.4	Very low	96 Å²	96	140.3 Å²	140.3	79%	0.793	80%	0.801	S	S	*	*			trans	-86.3	110.1	161.3	0	0	0	0	0	107.4	A4 N8	A4-A6 PolarHBondContact O-N 2.65Å; A6-N8 PolarHBondContact O-N 3Å
7	A	34.4	Very low	32.7	Very low	92 Å²	92	138.2 Å²	138.2	76%	0.76	79%	0.792	S	S	*	*			trans	-61.9	114.7	175.6	0	0	0	0	0	109.4	E9	A7-E9 VanDerWaalsContact C-N 3.34Å; A7-E9 PolarHBondContact O-N 3.3Å; A7-E9 VanDerWaalsContact O-N 3.09Å
8	N	31.3	Very low	32.8	Very low	165 Å²	165	135.7 Å²	135.7	88%	0.882	78%	0.784	S	S	*	*			trans	-70.4	96.6	160.9	-105.4	-4.7	0	0	0	106.8	A6 A10	A6-N8 PolarHBondContact O-N 3Å; N8-A10 PolarHBondContact O-N 3.25Å
9	E	29.4	Very low	32.6	Very low	176 Å²	176	135.8 Å²	135.8	82%	0.822	78%	0.776	S	S	*	*			trans	-62.8	102.1	162.7	-73.8	-179.3	165.2	0	0	107.4	A7 Y11	A7-E9 VanDerWaalsContact C-N 3.34Å; A7-E9 PolarHBondContact O-N 3.3Å; A7-E9 VanDerWaalsContact O-N 3.09Å; E9-Y11 PolarHBondContact O-N 2.86Å
10	A	32.1	Very low	32.8	Very low	80 Å²	80	134.4 Å²	134.4	66%	0.661	77%	0.765	S	S	*	*			trans	-60	107.9	172.5	0	0	0	0	0	108.2	N8 T12	N8-A10 PolarHBondContact O-N 3.25Å; A10-T12 VanDerWaalsContact C-N 3.26Å; A10-T12 PolarHBondContact O-N 3.05Å
11	Y	30.2	Very low	33.1	Very low	228 Å²	228	134.5 Å²	134.5	89%	0.894	76%	0.763	S	S	*	*			trans	-63.5	91	167.4	-116.3	-95.2	0	0	0	108.1	E9 A13	E9-Y11 PolarHBondContact O-N 2.86Å; Y11-A13 PolarHBondContact O-N 2.98Å
12	T	28.4	Very low	33	Very low	131 Å²	131	123.4 Å²	123.4	80%	0.804	71%	0.711	S	S	*	*			trans	-81.4	86.8	168.9	46	0	0	0	0	108.7	A10	A10-T12 VanDerWaalsContact C-N 3.26Å; A10-T12 PolarHBondContact O-N 3.05Å
13	A	35.1	Very low	33.4	Very low	67 Å²	67	114.2 Å²	114.2	55%	0.554	69%	0.685	S	S	*	*			trans	-121.9	113	155.5	0	0	0	0	0	106.9	Y11 L15	Y11-A13 PolarHBondContact O-N 2.98Å; A13-L15 PolarHBondContact O-N 2.65Å
14	P	34	Very low	33.7	Very low	132 Å²	132	114.7 Å²	114.7	86%	0.857	68%	0.679	S	S	*	*			trans	-75.1	91.5	-178.1	30.1	-30.5	0	0	0	108.5	A16	P14-A16 PolarHBondContact O-N 2.94Å; P14-A16 VanDerWaalsContact O-N 3.12Å
15	L	30.6	Very low	34.1	Very low	122 Å²	122	119 Å²	119	64%	0.639	68%	0.682	S	S	*	*			trans	-71.2	101.5	164.8	-78.5	160.7	0	0	0	107.1	A13 V17	A13-L15 PolarHBondContact O-N 2.65Å; L15-V17 PolarHBondContact O-N 3.29Å
16	A	35.3	Very low	34.6	Very low	52 Å²	52	117.1 Å²	117.1	43%	0.43	67%	0.674	S	S	.	*			trans	-64	122.9	171.4	0	0	0	0	0	107.9	P14 S18 E19	P14-A16 PolarHBondContact O-N 2.94Å; P14-A16 VanDerWaalsContact O-N 3.12Å; A16-S18 PolarHBondContact O-N 3.38Å; A16-E19 PolarHBondContact O-N 2.83Å
17	V	37.5	Very low	34.3	Very low	106 Å²	106	115.9 Å²	115.9	64%	0.642	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-52	-20.9	-175.9	178.8	0	0	0	0	113.3	L15 E19 L20 L21	L15-V17 PolarHBondContact O-N 3.29Å; V17-E19 PolarHBondContact O-N 3.09Å; V17-L20 PolarHBondContact O-N 3.49Å; V17-L21 HydrophobicContact CG1-CD1 4.41Å
18	S	34	Very low	34.4	Very low	92 Å²	92	112.7 Å²	112.7	64%	0.643	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-61	-25.3	171.7	49.1	0	0	0	0	114.7	A16	A16-S18 PolarHBondContact O-N 3.38Å
19	E	30.2	Very low	34.7	Very low	138 Å²	138	107.4 Å²	107.4	65%	0.645	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-77.7	-23	178.9	-68.5	-176.5	164.6	0	0	113	A16 V17	A16-E19 PolarHBondContact O-N 2.83Å; V17-E19 PolarHBondContact O-N 3.09Å
20	L	37	Very low	35.3	Very low	107 Å²	107	106.1 Å²	106.1	56%	0.56	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-15.7	-175.8	-82.7	156.7	0	0	0	114.2	V17	V17-L20 PolarHBondContact O-N 3.49Å
21	L	37.3	Very low	35.9	Very low	137 Å²	137	108.8 Å²	108.8	72%	0.717	62%	0.622	S	S	*	*			trans	-130.1	62.9	-171.5	-69	167.3	0	0	0	111	V17 C23	V17-L21 HydrophobicContact CG1-CD1 4.41Å; L21-C23 PolarHBondContact O-N 3.45Å
22	G	30.3	Very low	36.6	Very low	10 Å²	10	104.7 Å²	104.7	10%	0.103	61%	0.61	C	S	.	*			trans	-73.4	115.6	176.4	0	0	0	0	0	113.8	G28 R30	G22-G28 CarbonylContact C-O 3.42Å; G22-G28 WeakPolarHBondContact CA-O 3.33Å; G22-R30 WeakPolarHBondContact O-CG 3.29Å; G22-R30 PolarHBondContact O-NE 3.27Å; G22-R30 VanDerWaalsContact O-NE 3.14Å
23	C	37.6	Very low	37.6	Very low	56 Å²	56	101 Å²	101	38%	0.378	59%	0.586	S	S	.	*			trans	-93.8	135.8	165.1	163.2	0	0	0	0	110	L21 Q25 C26 G27	L21-C23 PolarHBondContact O-N 3.45Å; C23-Q25 PolarHBondContact O-N 3.24Å; C23-Q25 VanDerWaalsContact O-N 3.08Å; C23-C26 WeakPolarHBondContact CB-SG 3.39Å; C23-C26 PolarHBondContact O-N 3.27Å; C23-C26 PolarHBondContact O-SG 3.22Å; C23-G27 PolarHBondContact O-N 3.35Å
24	K	41.6	Very low	38.4	Very low	180 Å²	180	106.2 Å²	106.2	78%	0.783	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-23.9	-177.8	-75.8	-170.6	174.9	-175.4	0	113.8
25	Q	43.2	Very low	39.4	Very low	191 Å²	191	107.2 Å²	107.2	89%	0.893	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-20.5	177.7	-87.3	167.9	-17.9	0	0	114	C23	C23-Q25 PolarHBondContact O-N 3.24Å; C23-Q25 VanDerWaalsContact O-N 3.08Å
26	C	40.6	Very low	41.2	Very low	101 Å²	101	107.5 Å²	107.5	68%	0.682	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.7	13.5	178.4	48.5	0	0	0	0	113.8	C23 G28	C23-C26 WeakPolarHBondContact CB-SG 3.39Å; C23-C26 PolarHBondContact O-N 3.27Å; C23-C26 PolarHBondContact O-SG 3.22Å; C26-G28 VanDerWaalsContact C-N 3.29Å; C26-G28 PolarHBondContact O-N 3.18Å
27	G	30.7	Very low	42.9	Very low	71 Å²	71	108.1 Å²	108.1	73%	0.732	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.3	12	168.6	0	0	0	0	0	115.7	C23	C23-G27 PolarHBondContact O-N 3.35Å
28	G	36.1	Very low	44.7	Very low	24 Å²	24	108.1 Å²	108.1	25%	0.247	60%	0.6	C	S	.	*			trans	-79.2	127	171.9	0	0	0	0	0	110.7	G22 C26 R30	G22-G28 CarbonylContact C-O 3.42Å; G22-G28 WeakPolarHBondContact CA-O 3.33Å; C26-G28 VanDerWaalsContact C-N 3.29Å; C26-G28 PolarHBondContact O-N 3.18Å; G28-R30 PolarHBondContact O-N 3.2Å
29	G	38	Very low	46.6	Very low	55 Å²	55	112.9 Å²	112.9	57%	0.567	60%	0.604	S	S	*	*			trans	-65.5	121.9	-171.1	0	0	0	0	0	113.5
30	R	41.1	Very low	48.9	Very low	149 Å²	149	111.2 Å²	111.2	56%	0.562	60%	0.598	S	S	*	*			trans	-91.4	2	163.8	-77	-171	178.3	-167.9	-3.9	113.1	G22 G28 H32	G22-R30 WeakPolarHBondContact O-CG 3.29Å; G22-R30 PolarHBondContact O-NE 3.27Å; G22-R30 VanDerWaalsContact O-NE 3.14Å; G28-R30 PolarHBondContact O-N 3.2Å; R30-H32 VanDerWaalsContact C-N 3.27Å; R30-H32 PolarHBondContact O-N 3.35Å
31	D	45.3	Very low	51	Low	136 Å²	136	109.1 Å²	109.1	73%	0.727	59%	0.591	S	S	*	*	H	α-helix	trans	-70.9	-22.3	-173.5	-69.2	-14.5	0	0	0	112.7
32	H	45	Very low	53.1	Low	141 Å²	141	106.8 Å²	106.8	65%	0.653	57%	0.573	S	S	*	*	H	α-helix	trans	-82.1	-25.8	179.9	-80.3	-53.8	0	0	0	115.1	R30 E35	R30-H32 VanDerWaalsContact C-N 3.27Å; R30-H32 PolarHBondContact O-N 3.35Å; H32-E35 IonicContact ND1-OE2 3.4Å; H32-E35 PolarHBondContact ND1-OE2 3.02Å; H32-E35 PolarHBondContact O-N 3.44Å
33	D	49.6	Very low	55.5	Low	54 Å²	54	109.3 Å²	109.3	29%	0.289	59%	0.587	S	S	.	*	H	α-helix	trans	-74.9	-31.9	-177.1	-72.5	-29.9	0	0	0	112.4	E35 I40	D33-E35 VanDerWaalsContact C-N 3.28Å; D33-E35 PolarHBondContact O-N 2.87Å; D33-I40 HydrophobicContact CB-CD1 4.48Å; D33-I40 VanDerWaalsContact OD2-CD1 3.32Å; D33-I40 WeakPolarHBondContact OD2-CD1 3.44Å
34	E	51.1	Low	57.4	Low	177 Å²	177	108.7 Å²	108.7	83%	0.827	58%	0.58	S	S	*	*	H	α-helix	trans	-68.2	-27.6	175.8	-72.8	-172.3	172.4	0	0	112.1	L36	E34-L36 PolarHBondContact O-N 3.24Å
35	E	54.2	Low	59.1	Low	153 Å²	153	101.5 Å²	101.5	72%	0.715	56%	0.557	S	S	*	*	H	α-helix	trans	-70.3	-29.3	179.8	-72	-173.6	145.9	0	0	113.5	H32 D33	H32-E35 IonicContact ND1-OE2 3.4Å; H32-E35 PolarHBondContact ND1-OE2 3.02Å; H32-E35 PolarHBondContact O-N 3.44Å; D33-E35 VanDerWaalsContact C-N 3.28Å; D33-E35 PolarHBondContact O-N 2.87Å
36	L	69.2	Low	60.9	Low	128 Å²	128	98 Å²	98	67%	0.67	54%	0.541	S	S	*	.	H	α-helix	trans	-93.2	-8.2	-177.1	-69.8	169.5	0	0	0	114	E34 I38	E34-L36 PolarHBondContact O-N 3.24Å; L36-I38 HydrophobicContact CB-CD1 3.77Å; L36-I38 HydrophobicContact CB-CG1 3.86Å; L36-I38 HydrophobicContact CD1-CD1 3.98Å; L36-I38 HydrophobicContact CG-CD1 4.48Å; L36-I38 PolarHBondContact O-N 2.8Å
37	G	71.6	Confident	63.3	Low	64 Å²	64	94.1 Å²	94.1	66%	0.66	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	14.7	-176.8	0	0	0	0	0	114.3	R39	G37-R39 PolarHBondContact O-N 3.11Å
38	I	74.8	Confident	66.3	Low	107 Å²	107	91 Å²	91	55%	0.549	48%	0.484	S	S	.	.			trans	-77.8	119.8	-179.7	-62.5	170.5	0	0	0	108.4	L36 I40	L36-I38 HydrophobicContact CB-CD1 3.77Å; L36-I38 HydrophobicContact CB-CG1 3.86Å; L36-I38 HydrophobicContact CD1-CD1 3.98Å; L36-I38 HydrophobicContact CG-CD1 4.48Å; L36-I38 PolarHBondContact O-N 2.8Å; I38-I40 PolarHBondContact O-N 3.34Å
39	R	75.1	Confident	69.1	Low	192 Å²	192	90 Å²	90	73%	0.725	47%	0.473	S	S	*	.			trans	-84.2	108.3	174.6	-63.9	-175.1	-179.5	-176.7	0.3	109.4	G37 P41 F233	G37-R39 PolarHBondContact O-N 3.11Å; R39-P41 WeakPolarHBondContact O-CD 3.43Å; R39-F233 HydrophobicContact CB-CD1 3.76Å; R39-F233 HydrophobicContact CB-CE1 4.4Å; R39-F233 WeakPolarHBondContact O-CE1 3.34Å
40	I	77.1	Confident	71.8	Confident	102 Å²	102	92 Å²	92	52%	0.523	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-73.1	120.9	173.7	-59.2	178.3	0	0	0	108.9	D33 I38	D33-I40 HydrophobicContact CB-CD1 4.48Å; D33-I40 VanDerWaalsContact OD2-CD1 3.32Å; D33-I40 WeakPolarHBondContact OD2-CD1 3.44Å; I38-I40 PolarHBondContact O-N 3.34Å
41	P	81.9	Confident	74.4	Confident	63 Å²	63	86 Å²	86	41%	0.409	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-68.8	140.6	175.7	27.7	-32	0	0	0	110.8	R39 H231 F233	R39-P41 WeakPolarHBondContact O-CD 3.43Å; P41-H231 HydrophobicContact CB-CB 4.05Å; P41-F233 HydrophobicContact CB-CD1 4.16Å; P41-F233 HydrophobicContact CB-CE1 3.77Å; P41-F233 HydrophobicContact CB-CZ 4.05Å; P41-F233 HydrophobicContact CG-CE1 4.17Å
42	R	80.2	Confident	76.7	Confident	88 Å²	88	79.7 Å²	79.7	33%	0.332	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.9	172.7	-173.8	-175.1	68.4	106.5	-6.5	110	H231 T232	R42-H231 CarbonylContact O-C 3.47Å; R42-H231 WeakPolarHBondContact O-CA 3.41Å; R42-T232 HydrophobicContact CB-CG2 4.23Å; R42-T232 PolarHBondContact N-O 3.5Å; R42-T232 PolarHBondContact O-N 2.89Å
43	P	81.6	Confident	79.1	Confident	63 Å²	63	75.9 Å²	75.9	41%	0.409	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	138.5	169.6	-20.5	30.9	0	0	0	111.7	I225 G230	P43-I225 HydrophobicContact CB-CD1 4.41Å; P43-I225 HydrophobicContact CG-CD1 3.89Å; P43-G230 WeakPolarHBondContact CA-O 3.25Å
44	L	78.5	Confident	81	Confident	44 Å²	44	77.3 Å²	77.3	23%	0.23	40%	0.401	C	S	.	.	S	Bend	trans	-91.2	-21.8	172.9	-75.2	175.6	0	0	0	112.9	G229 G230 H231 T232	L44-G229 WeakPolarHBondContact CB-O 3.45Å; L44-G229 WeakPolarHBondContact CD1-O 3.42Å; L44-G230 PolarHBondContact N-O 2.95Å; L44-H231 WeakPolarHBondContact CD1-O 3.13Å; L44-T232 HydrophobicContact CD2-CG2 3.61Å; L44-T232 HydrophobicContact CG-CG2 4.16Å
45	G	75.7	Confident	82.9	Confident	29 Å²	29	76.7 Å²	76.7	30%	0.299	40%	0.396	S	S	.	.	S	Bend	trans	-103.3	157.5	175.2	0	0	0	0	0	112.7
46	Q	81.9	Confident	84.7	Confident	118 Å²	118	72.9 Å²	72.9	55%	0.551	38%	0.378	S	S	*	.	S	Bend	trans	-108.2	72	171.7	-67.5	179.7	-1.8	0	0	108.7
47	G	90.4	Very high	85.6	Confident	18 Å²	18	66.9 Å²	66.9	19%	0.186	35%	0.346	C	S	.	.	S	Bend	trans	93.7	-171.9	178.8	0	0	0	0	0	115.9	S49 S222	G47-S49 VanDerWaalsContact C-N 3.31Å; G47-S49 PolarHBondContact O-N 3.41Å; G47-S222 VanDerWaalsContact O-CB 3.23Å; G47-S222 WeakPolarHBondContact O-CB 3.48Å; G47-S222 PolarHBondContact O-OG 3.16Å
48	P	93.4	Very high	86.2	Confident	5 Å²	5	68.3 Å²	68.3	3%	0.032	34%	0.338	C	S	.	.	S	Bend	trans	-69.1	-21.2	-166.2	-24.2	35.8	0	0	0	115.7	I57 N83 L86 V87 I221 S222	P48-I57 HydrophobicContact CB-CD1 4.08Å; P48-I57 HydrophobicContact CG-CD1 4.18Å; P48-I57 HydrophobicContact CG-CG2 4.3Å; P48-N83 WeakPolarHBondContact CA-OD1 3.34Å; P48-N83 HydrophobicContact CB-CB 3.91Å; P48-L86 HydrophobicContact CB-CB 3.94Å; P48-L86 HydrophobicContact CB-CD1 4.3Å; P48-L86 HydrophobicContact CG-CB 3.76Å; P48-L86 HydrophobicContact CG-CD1 3.64Å; P48-L86 HydrophobicContact CG-CG 4.35Å; P48-V87 HydrophobicContact CB-CG2 3.99Å; P48-I221 WeakPolarHBondContact O-CA 3.43Å; P48-S222 PolarHBondContact O-N 3.13Å
49	S	95.7	Very high	86.6	Confident	4 Å²	4	68.6 Å²	68.6	3%	0.028	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-134.2	146.3	-178.8	173	0	0	0	0	110.8	G47 F51 I52 C219 G220	G47-S49 VanDerWaalsContact C-N 3.31Å; G47-S49 PolarHBondContact O-N 3.41Å; S49-F51 PolarHBondContact OG-N 3.22Å; S49-I52 PolarHBondContact OG-N 3.35Å; S49-C219 WeakPolarHBondContact CB-O 3.42Å; S49-C219 PolarHBondContact OG-O 3.2Å; S49-G220 WeakPolarHBondContact CA-O 3.34Å
50	R	94	Very high	86.7	Confident	97 Å²	97	61.6 Å²	61.6	37%	0.366	32%	0.316	S	S	.	.	S	Bend	trans	-85.1	-14.3	170.4	-53.6	180	-145.9	179.5	11.4	112.5	G220 N248 K449	R50-G220 PolarHBondContact N-O 3.16Å; R50-N248 PolarHBondContact NH1-OD1 3.45Å; R50-K449 PolarHBondContact O-NZ 3.1Å
51	F	95.3	Very high	86.2	Confident	22 Å²	22	57.2 Å²	57.2	10%	0.096	30%	0.295	C	S	.	.	S	Bend	trans	-98.6	-29.5	-177.4	-59.4	-8.4	0	0	0	111.7	S49 F217 G218 C219 G220 V447 K449 Y452	S49-F51 PolarHBondContact OG-N 3.22Å; F51-F217 VanDerWaalsContact CE2-O 3.29Å; F51-F217 WeakPolarHBondContact CE2-O 3.34Å; F51-G218 WeakPolarHBondContact CD2-O 3.35Å; F51-G218 WeakPolarHBondContact CE2-O 3.43Å; F51-C219 VanDerWaalsContact CD2-C 3.5Å; F51-G220 VanDerWaalsContact CD2-N 3.33Å; F51-G220 VanDerWaalsContact CE2-N 3.28Å; F51-V447 HydrophobicContact CE2-CG1 4.17Å; F51-V447 HydrophobicContact CZ-CG1 4.39Å; F51-K449 HydrophobicContact CD1-CB 3.69Å; F51-K449 HydrophobicContact CD1-CD 4.18Å; F51-K449 HydrophobicContact CD1-CG 3.81Å; F51-K449 HydrophobicContact CE1-CB 3.61Å; F51-K449 HydrophobicContact CE1-CG 4.28Å; F51-K449 HydrophobicContact CZ-CB 4.47Å; F51-Y452 HydrophobicContact CB-CD1 3.83Å; F51-Y452 HydrophobicContact CB-CE1 3.84Å; F51-Y452 HydrophobicContact CB-CG 4.24Å; F51-Y452 HydrophobicContact CD2-CD1 4.17Å; F51-Y452 AromaticContact CD2-CD2 3.87Å; F51-Y452 HydrophobicContact CD2-CD2 3.87Å; F51-Y452 HydrophobicContact CD2-CE2 4.45Å; F51-Y452 AromaticContact CD2-CG 3.71Å; F51-Y452 HydrophobicContact CD2-CG 3.71Å; F51-Y452 HydrophobicContact CE2-CG 4.41Å; F51-Y452 HydrophobicContact CG-CD1 4.21Å; F51-Y452 HydrophobicContact CG-CG 4.21Å
52	I	95.4	Very high	85.6	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.021	30%	0.301	C	S	.	.	S	Bend	trans	-114	127.8	-173.7	-54	170.6	0	0	0	108.9	S49 E54 I57 V87 F90 H461 V465	S49-I52 PolarHBondContact OG-N 3.35Å; I52-E54 PolarHBondContact O-N 2.98Å; I52-I57 HydrophobicContact CB-CD1 4.14Å; I52-I57 HydrophobicContact CB-CG1 4.46Å; I52-I57 HydrophobicContact CG2-CD1 3.99Å; I52-I57 HydrophobicContact CG2-CG1 3.77Å; I52-V87 HydrophobicContact CD1-CG1 4.13Å; I52-F90 HydrophobicContact CD1-CE2 4.18Å; I52-F90 HydrophobicContact CG2-CE2 4.11Å; I52-F90 HydrophobicContact CG2-CZ 4.06Å; I52-H461 HydrophobicContact CD1-CB 4.39Å; I52-H461 HydrophobicContact CG1-CB 4.11Å; I52-H461 HydrophobicContact CG2-CB 3.84Å; I52-V465 HydrophobicContact CD1-CG2 3.54Å
53	P	93.7	Very high	85.1	Confident	62 Å²	62	61.4 Å²	61.4	40%	0.403	32%	0.322	S	S	.	.			trans	-58.1	131.9	175.5	-24.5	35	0	0	0	112.5	K55 E56 H461	P53-K55 PolarHBondContact O-N 2.87Å; P53-K55 VanDerWaalsContact O-N 3.12Å; P53-E56 HydrophobicContact CB-CG 4.46Å; P53-E56 PolarHBondContact O-N 2.77Å; P53-H461 WeakPolarHBondContact CD-NE2 3.3Å
54	E	91.3	Very high	84.5	Confident	83 Å²	83	61 Å²	61	39%	0.388	32%	0.316	S	S	.	.	H	α-helix	trans	-51.3	-40.2	-179.9	-178.7	178	-155.5	0	0	113.2	I52 E56 I57 L58	I52-E54 PolarHBondContact O-N 2.98Å; E54-E56 VanDerWaalsContact C-N 3.27Å; E54-E56 PolarHBondContact O-N 3.34Å; E54-I57 PolarHBondContact O-N 2.64Å; E54-I57 VanDerWaalsContact O-N 3.14Å; E54-L58 HydrophobicContact CG-CD1 3.74Å; E54-L58 HydrophobicContact CG-CG 4.07Å; E54-L58 WeakPolarHBondContact O-CG 3.34Å; E54-L58 PolarHBondContact O-N 3.01Å
55	K	90.6	Very high	84.4	Confident	165 Å²	165	62.8 Å²	62.8	72%	0.717	34%	0.337	S	S	*	.	H	α-helix	trans	-59.3	-36.6	-179.7	-66.4	-177.5	-178.9	177	0	112.7	P53 Q59	P53-K55 PolarHBondContact O-N 2.87Å; P53-K55 VanDerWaalsContact O-N 3.12Å; K55-Q59 WeakPolarHBondContact O-CB 3.48Å; K55-Q59 WeakPolarHBondContact O-CG 3.39Å; K55-Q59 PolarHBondContact O-N 3.03Å; K55-Q59 VanDerWaalsContact O-N 3.08Å
56	E	90.8	Very high	84.6	Confident	72 Å²	72	66.8 Å²	66.8	34%	0.336	35%	0.348	S	S	.	.	H	α-helix	trans	-71	-35.3	178.9	-69.7	-174.8	-133.7	0	0	111.6	P53 E54 F90 H461	P53-E56 HydrophobicContact CB-CG 4.46Å; P53-E56 PolarHBondContact O-N 2.77Å; E54-E56 VanDerWaalsContact C-N 3.27Å; E54-E56 PolarHBondContact O-N 3.34Å; E56-F90 HydrophobicContact CB-CZ 4.38Å; E56-H461 IonicContact OE1-CD2 3.72Å; E56-H461 IonicContact OE2-CD2 2.72Å; E56-H461 PolarHBondContact OE2-CD2 2.83Å
57	I	89.3	Confident	84.4	Confident	3 Å²	3	61.2 Å²	61.2	2%	0.015	32%	0.322	C	S	.	.	H	α-helix	trans	-69	-46.9	176.8	-61.4	168.6	0	0	0	110.3	P48 I52 E54 Q59 V60 G61 L86 V87 V89 F90	P48-I57 HydrophobicContact CB-CD1 4.08Å; P48-I57 HydrophobicContact CG-CD1 4.18Å; P48-I57 HydrophobicContact CG-CG2 4.3Å; I52-I57 HydrophobicContact CB-CD1 4.14Å; I52-I57 HydrophobicContact CB-CG1 4.46Å; I52-I57 HydrophobicContact CG2-CD1 3.99Å; I52-I57 HydrophobicContact CG2-CG1 3.77Å; E54-I57 PolarHBondContact O-N 2.64Å; E54-I57 VanDerWaalsContact O-N 3.14Å; I57-Q59 PolarHBondContact O-N 2.92Å; I57-V60 PolarHBondContact O-N 2.81Å; I57-G61 PolarHBondContact O-N 3.37Å; I57-L86 HydrophobicContact CG2-CB 4.37Å; I57-L86 WeakPolarHBondContact CG2-O 3.29Å; I57-V87 HydrophobicContact CD1-CG2 3.99Å; I57-V89 HydrophobicContact CG2-CG1 4.1Å; I57-F90 HydrophobicContact CG1-CE2 3.91Å; I57-F90 HydrophobicContact CG1-CZ 4.04Å
58	L	83.9	Confident	83.9	Confident	94 Å²	94	65.4 Å²	65.4	49%	0.492	34%	0.337	S	S	.	.	H	α-helix	trans	-69.9	-31.1	-176.8	-65.6	-178.8	0	0	0	113.4	E54 G61 S62	E54-L58 HydrophobicContact CG-CD1 3.74Å; E54-L58 HydrophobicContact CG-CG 4.07Å; E54-L58 WeakPolarHBondContact O-CG 3.34Å; E54-L58 PolarHBondContact O-N 3.01Å; L58-G61 PolarHBondContact O-N 2.98Å; L58-S62 PolarHBondContact O-N 3.45Å
59	Q	82.9	Confident	83.5	Confident	113 Å²	113	67.6 Å²	67.6	53%	0.528	36%	0.355	S	S	.	.	H	α-helix	trans	-58.7	-48.6	176.2	-82.3	169.6	16.1	0	0	111.2	K55 I57 G61 S62	K55-Q59 WeakPolarHBondContact O-CB 3.48Å; K55-Q59 WeakPolarHBondContact O-CG 3.39Å; K55-Q59 PolarHBondContact O-N 3.03Å; K55-Q59 VanDerWaalsContact O-N 3.08Å; I57-Q59 PolarHBondContact O-N 2.92Å; Q59-G61 VanDerWaalsContact C-N 3.33Å; Q59-G61 PolarHBondContact O-N 3.07Å; Q59-S62 PolarHBondContact O-N 2.8Å; Q59-S62 VanDerWaalsContact O-N 3.15Å; Q59-S62 PolarHBondContact O-OG 3.36Å
60	V	77	Confident	82.9	Confident	45 Å²	45	68.6 Å²	68.6	27%	0.273	36%	0.36	S	S	.	.	H	α-helix	trans	-62	-41	-178.9	-178.7	0	0	0	0	111.7	I57 S62 V89 F90	I57-V60 PolarHBondContact O-N 2.81Å; V60-S62 PolarHBondContact O-N 2.84Å; V60-V89 HydrophobicContact CB-CG1 4.12Å; V60-V89 HydrophobicContact CG1-CG1 4.18Å; V60-V89 HydrophobicContact CG1-CG2 4.22Å; V60-V89 WeakPolarHBondContact CG1-O 3.41Å; V60-F90 HydrophobicContact CG2-CD1 3.79Å; V60-F90 HydrophobicContact CG2-CE1 3.77Å
61	G	67.4	Low	82.3	Confident	9 Å²	9	65.3 Å²	65.3	9%	0.093	35%	0.349	C	S	.	.	H	α-helix	trans	-67.4	-17.7	179.3	0	0	0	0	0	115	I57 L58 Q59	I57-G61 PolarHBondContact O-N 3.37Å; L58-G61 PolarHBondContact O-N 2.98Å; Q59-G61 VanDerWaalsContact C-N 3.33Å; Q59-G61 PolarHBondContact O-N 3.07Å
62	S	69.5	Low	81.8	Confident	75 Å²	75	67 Å²	67	52%	0.524	37%	0.367	S	S	.	.	H	α-helix	trans	-95.4	-17.1	-175	69.5	0	0	0	0	115	L58 Q59 V60	L58-S62 PolarHBondContact O-N 3.45Å; Q59-S62 PolarHBondContact O-N 2.8Å; Q59-S62 VanDerWaalsContact O-N 3.15Å; Q59-S62 PolarHBondContact O-OG 3.36Å; V60-S62 PolarHBondContact O-N 2.84Å
63	E	69.4	Low	81.2	Confident	164 Å²	164	72 Å²	72	77%	0.766	39%	0.394	S	S	*	.	H	α-helix	trans	-90	-17.4	-171.6	-69.5	-178.7	171.9	0	0	113.5
64	D	69	Low	80.6	Confident	55 Å²	55	69.6 Å²	69.6	29%	0.294	38%	0.378	S	S	.	.			trans	-118.6	117.3	-170.3	-172.9	-4.7	0	0	0	112.8	Q66 M67 H68	D64-Q66 PolarHBondContact O-N 2.91Å; D64-Q66 VanDerWaalsContact OD1-CB 3.29Å; D64-Q66 WeakPolarHBondContact OD1-CB 3.05Å; D64-Q66 PolarHBondContact OD1-N 3.49Å; D64-M67 HydrophobicContact CB-CB 4.02Å; D64-M67 HydrophobicContact CB-CG 3.71Å; D64-M67 WeakPolarHBondContact O-CB 3.34Å; D64-M67 PolarHBondContact O-N 3.15Å; D64-M67 VanDerWaalsContact O-N 3.08Å; D64-H68 PolarHBondContact O-CD2 3.34Å; D64-H68 PolarHBondContact O-N 3.42Å; D64-H68 VanDerWaalsContact O-N 3.15Å
65	A	76.7	Confident	80.3	Confident	81 Å²	81	71.1 Å²	71.1	67%	0.669	38%	0.384	S	S	*	.	H	α-helix	trans	-61.6	-30.2	176	0	0	0	0	0	112.9	M67 H68 A69	A65-M67 VanDerWaalsContact C-N 3.35Å; A65-H68 PolarHBondContact O-N 3.48Å; A65-A69 PolarHBondContact O-N 2.62Å
66	Q	79	Confident	79.9	Confident	113 Å²	113	67.3 Å²	67.3	53%	0.528	38%	0.382	S	S	.	.	H	α-helix	trans	-68.1	-36.6	174.6	-172.4	176.5	-9.9	0	0	111	D64 A69 L70	D64-Q66 PolarHBondContact O-N 2.91Å; D64-Q66 VanDerWaalsContact OD1-CB 3.29Å; D64-Q66 WeakPolarHBondContact OD1-CB 3.05Å; D64-Q66 PolarHBondContact OD1-N 3.49Å; Q66-A69 PolarHBondContact O-N 2.92Å; Q66-L70 PolarHBondContact O-N 3.29Å
67	M	78.8	Confident	79.1	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.01	39%	0.386	C	S	.	.	H	α-helix	trans	-65.6	-39.9	174.1	-68.5	-61	93.8	0	0	112.3	D64 A65 A69 L70 F71 V89 P92	D64-M67 HydrophobicContact CB-CB 4.02Å; D64-M67 HydrophobicContact CB-CG 3.71Å; D64-M67 WeakPolarHBondContact O-CB 3.34Å; D64-M67 PolarHBondContact O-N 3.15Å; D64-M67 VanDerWaalsContact O-N 3.08Å; A65-M67 VanDerWaalsContact C-N 3.35Å; M67-A69 VanDerWaalsContact C-N 3.31Å; M67-A69 PolarHBondContact O-N 3.43Å; M67-L70 HydrophobicContact CE-CB 4.45Å; M67-L70 HydrophobicContact CE-CD2 3.78Å; M67-L70 PolarHBondContact O-N 2.67Å; M67-L70 HydrophobicContact SD-CD2 4.25Å; M67-F71 WeakPolarHBondContact O-CB 3.36Å; M67-F71 WeakPolarHBondContact O-CG 3.33Å; M67-F71 PolarHBondContact O-N 3.36Å; M67-V89 HydrophobicContact CG-CG2 4.49Å; M67-V89 HydrophobicContact SD-CG2 4.21Å; M67-P92 HydrophobicContact CE-CB 3.35Å; M67-P92 HydrophobicContact CE-CG 3.91Å; M67-P92 HydrophobicContact CG-CG 4.31Å; M67-P92 HydrophobicContact SD-CB 3.74Å; M67-P92 HydrophobicContact SD-CG 3.67Å
68	H	79.7	Confident	78.3	Confident	105 Å²	105	69.4 Å²	69.4	49%	0.486	40%	0.403	S	S	.	.	H	α-helix	trans	-59.5	-41.6	174	-80.8	-73.3	0	0	0	112.7	D64 A65 A72	D64-H68 PolarHBondContact O-CD2 3.34Å; D64-H68 PolarHBondContact O-N 3.42Å; D64-H68 VanDerWaalsContact O-N 3.15Å; A65-H68 PolarHBondContact O-N 3.48Å; H68-A72 WeakPolarHBondContact O-CB 3.47Å; H68-A72 PolarHBondContact O-N 3.18Å
69	A	83.4	Confident	78	Confident	52 Å²	52	67.5 Å²	67.5	43%	0.43	41%	0.406	S	S	.	.	H	α-helix	trans	-65	-46.4	175.2	0	0	0	0	0	111.4	A65 Q66 M67 F71 A72 D73	A65-A69 PolarHBondContact O-N 2.62Å; Q66-A69 PolarHBondContact O-N 2.92Å; M67-A69 VanDerWaalsContact C-N 3.31Å; M67-A69 PolarHBondContact O-N 3.43Å; A69-F71 VanDerWaalsContact C-N 3.3Å; A69-F71 PolarHBondContact O-N 3.02Å; A69-A72 PolarHBondContact O-N 2.85Å; A69-A72 VanDerWaalsContact O-N 3.14Å; A69-D73 PolarHBondContact O-N 2.62Å
70	L	83	Confident	78	Confident	24 Å²	24	64 Å²	64	13%	0.126	39%	0.388	C	S	.	.	H	α-helix	trans	-59.2	-40.5	178.5	-172.2	64.6	0	0	0	112.3	Q66 M67 S74 L95 E96 L99	Q66-L70 PolarHBondContact O-N 3.29Å; M67-L70 HydrophobicContact CE-CB 4.45Å; M67-L70 HydrophobicContact CE-CD2 3.78Å; M67-L70 PolarHBondContact O-N 2.67Å; M67-L70 HydrophobicContact SD-CD2 4.25Å; L70-S74 WeakPolarHBondContact O-CB 3.48Å; L70-S74 PolarHBondContact O-N 3.35Å; L70-S74 PolarHBondContact O-OG 2.72Å; L70-L95 HydrophobicContact CD2-CB 4.4Å; L70-L95 HydrophobicContact CD2-CD2 3.85Å; L70-L95 HydrophobicContact CD2-CG 3.84Å; L70-E96 HydrophobicContact CD1-CB 4.28Å; L70-E96 HydrophobicContact CD1-CG 4.17Å; L70-E96 HydrophobicContact CD2-CB 4.33Å; L70-L99 HydrophobicContact CD1-CD1 3.74Å; L70-L99 HydrophobicContact CD2-CD1 4.08Å; L70-L99 HydrophobicContact CG-CD1 3.77Å
71	F	82.9	Confident	78.4	Confident	29 Å²	29	64.3 Å²	64.3	13%	0.127	39%	0.387	C	S	.	.	H	α-helix	trans	-69.1	-41	174.6	-72.3	-20.1	0	0	0	113	M67 A69 D73 S74 F75 L81 T85 L86 V89 L95	M67-F71 WeakPolarHBondContact O-CB 3.36Å; M67-F71 WeakPolarHBondContact O-CG 3.33Å; M67-F71 PolarHBondContact O-N 3.36Å; A69-F71 VanDerWaalsContact C-N 3.3Å; A69-F71 PolarHBondContact O-N 3.02Å; F71-D73 VanDerWaalsContact C-N 3.31Å; F71-D73 PolarHBondContact O-N 3.31Å; F71-S74 PolarHBondContact O-N 3.49Å; F71-F75 WeakPolarHBondContact O-CB 3.47Å; F71-F75 PolarHBondContact O-N 3.17Å; F71-L81 HydrophobicContact CB-CD1 4.02Å; F71-L81 HydrophobicContact CB-CD2 4.28Å; F71-L81 HydrophobicContact CD1-CD1 4.37Å; F71-L81 HydrophobicContact CD1-CD2 4.01Å; F71-L81 HydrophobicContact CG-CD1 4.1Å; F71-L81 HydrophobicContact CG-CD2 4.4Å; F71-T85 HydrophobicContact CD1-CG2 4.5Å; F71-T85 HydrophobicContact CE1-CG2 4.25Å; F71-L86 HydrophobicContact CZ-CD2 4.41Å; F71-V89 HydrophobicContact CE1-CG2 4.35Å; F71-V89 HydrophobicContact CE2-CG2 4.27Å; F71-V89 HydrophobicContact CZ-CB 4.14Å; F71-V89 HydrophobicContact CZ-CG2 3.54Å; F71-L95 HydrophobicContact CE1-CD2 4.2Å
72	A	83.9	Confident	79.5	Confident	57 Å²	57	64.8 Å²	64.8	47%	0.471	39%	0.388	S	S	.	.	H	α-helix	trans	-60.8	-43.7	176	0	0	0	0	0	111	H68 A69 A76	H68-A72 WeakPolarHBondContact O-CB 3.47Å; H68-A72 PolarHBondContact O-N 3.18Å; A69-A72 PolarHBondContact O-N 2.85Å; A69-A72 VanDerWaalsContact O-N 3.14Å; A72-A76 VanDerWaalsContact O-CB 3.22Å; A72-A76 WeakPolarHBondContact O-CB 3.17Å; A72-A76 PolarHBondContact O-N 3.37Å
73	D	83.2	Confident	80.7	Confident	110 Å²	110	62 Å²	62	59%	0.588	37%	0.367	S	S	*	.	H	α-helix	trans	-66.7	-45	177.9	-69.2	-17.1	0	0	0	111.5	A69 F71 F75 A76 A77	A69-D73 PolarHBondContact O-N 2.62Å; F71-D73 VanDerWaalsContact C-N 3.31Å; F71-D73 PolarHBondContact O-N 3.31Å; D73-F75 PolarHBondContact O-N 3.25Å; D73-A76 PolarHBondContact O-N 2.98Å; D73-A77 WeakPolarHBondContact O-CB 3.49Å; D73-A77 PolarHBondContact O-N 3.38Å
74	S	81.3	Confident	81.9	Confident	10 Å²	10	54.3 Å²	54.3	7%	0.07	33%	0.331	C	S	.	.	H	α-helix	trans	-61.6	-45.1	176.9	-58.5	0	0	0	0	111.7	L70 F71 A77 L78 L99	L70-S74 WeakPolarHBondContact O-CB 3.48Å; L70-S74 PolarHBondContact O-N 3.35Å; L70-S74 PolarHBondContact O-OG 2.72Å; F71-S74 PolarHBondContact O-N 3.49Å; S74-A77 PolarHBondContact O-N 3.14Å; S74-L78 WeakPolarHBondContact O-CB 3.26Å; S74-L78 PolarHBondContact O-N 3.04Å; S74-L99 WeakPolarHBondContact OG-CD1 3.07Å
75	F	84.2	Confident	83.1	Confident	116 Å²	116	51.8 Å²	51.8	51%	0.509	32%	0.318	S	S	.	.	H	α-helix	trans	-65.6	-39.8	176.9	-175.5	-94.2	0	0	0	111.5	F71 D73 A77 G79 L81	F71-F75 WeakPolarHBondContact O-CB 3.47Å; F71-F75 PolarHBondContact O-N 3.17Å; D73-F75 PolarHBondContact O-N 3.25Å; F75-A77 VanDerWaalsContact C-N 3.32Å; F75-A77 PolarHBondContact O-N 3.05Å; F75-G79 WeakPolarHBondContact CE2-O 3.34Å; F75-G79 WeakPolarHBondContact O-CA 3.08Å; F75-G79 PolarHBondContact O-N 3.48Å; F75-L81 HydrophobicContact CB-CD2 4.5Å; F75-L81 HydrophobicContact CB-CG 4.34Å; F75-L81 HydrophobicContact CD2-CG 4.44Å
76	A	82.5	Confident	83.8	Confident	84 Å²	84	49.5 Å²	49.5	69%	0.694	29%	0.294	S	S	*	.	H	α-helix	trans	-65.1	-35.4	175.6	0	0	0	0	0	112.4	A72 D73	A72-A76 VanDerWaalsContact O-CB 3.22Å; A72-A76 WeakPolarHBondContact O-CB 3.17Å; A72-A76 PolarHBondContact O-N 3.37Å; D73-A76 PolarHBondContact O-N 2.98Å
77	A	75.1	Confident	84.6	Confident	50 Å²	50	44.1 Å²	44.1	41%	0.413	27%	0.269	S	S	.	.	H	α-helix	trans	-80.9	-36.3	-178.8	0	0	0	0	0	114	D73 S74 F75 Q107	D73-A77 WeakPolarHBondContact O-CB 3.49Å; D73-A77 PolarHBondContact O-N 3.38Å; S74-A77 PolarHBondContact O-N 3.14Å; F75-A77 VanDerWaalsContact C-N 3.32Å; F75-A77 PolarHBondContact O-N 3.05Å; A77-Q107 PolarHBondContact O-NE2 3Å
78	L	72.4	Confident	85.4	Confident	70 Å²	70	44 Å²	44	37%	0.366	27%	0.269	S	S	.	.	H	α-helix	trans	-108.8	-12.8	-173.7	-61.7	174.5	0	0	0	113.7	S74 R80	S74-L78 WeakPolarHBondContact O-CB 3.26Å; S74-L78 PolarHBondContact O-N 3.04Å; L78-R80 HydrophobicContact CB-CG 4.26Å; L78-R80 PolarHBondContact O-N 3.48Å
79	G	76.8	Confident	86	Confident	54 Å²	54	39.1 Å²	39.1	56%	0.557	25%	0.246	S	C	*	.	S	Bend	trans	69.7	4.9	-171.4	0	0	0	0	0	114.1	F75	F75-G79 WeakPolarHBondContact CE2-O 3.34Å; F75-G79 WeakPolarHBondContact O-CA 3.08Å; F75-G79 PolarHBondContact O-N 3.48Å
80	R	82.6	Confident	86.4	Confident	39 Å²	39	37.6 Å²	37.6	15%	0.147	23%	0.23	C	C	.	.	S	Bend	trans	-155.1	159.1	-177.7	63.5	-179.9	176.4	173.6	-3.7	112	L78 D140	L78-R80 HydrophobicContact CB-CG 4.26Å; L78-R80 PolarHBondContact O-N 3.48Å; R80-D140 IonicContact NH2-OD1 2.93Å; R80-D140 PolarHBondContact NH2-OD1 3.02Å; R80-D140 IonicContact NH2-OD2 2.66Å; R80-D140 PolarHBondContact NH2-OD2 3.31Å
81	L	85.7	Confident	87	Confident	51 Å²	51	36.6 Å²	36.6	27%	0.267	22%	0.224	S	C	.	.			trans	-112.7	110.9	161.4	-67.6	172.3	0	0	0	107	F71 F75 T85	F71-L81 HydrophobicContact CB-CD1 4.02Å; F71-L81 HydrophobicContact CB-CD2 4.28Å; F71-L81 HydrophobicContact CD1-CD1 4.37Å; F71-L81 HydrophobicContact CD1-CD2 4.01Å; F71-L81 HydrophobicContact CG-CD1 4.1Å; F71-L81 HydrophobicContact CG-CD2 4.4Å; F75-L81 HydrophobicContact CB-CD2 4.5Å; F75-L81 HydrophobicContact CB-CG 4.34Å; F75-L81 HydrophobicContact CD2-CG 4.44Å; L81-T85 HydrophobicContact CD2-CG2 4.13Å
82	D	91.4	Very high	87.4	Confident	19 Å²	19	36.9 Å²	36.9	10%	0.102	23%	0.229	C	C	.	.			trans	-79.9	161.5	177.7	60.2	53.7	0	0	0	112	I84 T85 L86 L136	D82-I84 PolarHBondContact O-N 3.11Å; D82-I84 WeakPolarHBondContact OD1-CB 3Å; D82-I84 PolarHBondContact OD1-N 3.26Å; D82-T85 WeakPolarHBondContact O-CB 3.44Å; D82-T85 PolarHBondContact O-N 2.89Å; D82-T85 WeakPolarHBondContact OD1-CB 3.5Å; D82-T85 PolarHBondContact OD1-N 3.26Å; D82-T85 PolarHBondContact OD1-OG1 3.41Å; D82-L86 WeakPolarHBondContact O-CG 3.37Å; D82-L86 PolarHBondContact O-N 3.34Å; D82-L136 HydrophobicContact CB-CD1 4.49Å
83	N	93.8	Very high	87.8	Confident	16 Å²	16	39.7 Å²	39.7	9%	0.086	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-25.7	-177.6	-71.5	-30.9	0	0	0	113.5	P48 L86 V87 Y132 I221 S222 E224	P48-N83 WeakPolarHBondContact CA-OD1 3.34Å; P48-N83 HydrophobicContact CB-CB 3.91Å; N83-L86 PolarHBondContact O-N 3.49Å; N83-V87 WeakPolarHBondContact O-CG2 3.45Å; N83-V87 PolarHBondContact O-N 3.46Å; N83-Y132 HydrophobicContact CB-CE2 4.4Å; N83-Y132 PolarHBondContact N-OH 3.42Å; N83-Y132 VanDerWaalsContact N-OH 3.17Å; N83-I221 HydrophobicContact CB-CG2 3.69Å; N83-S222 PolarHBondContact ND2-O 3.48Å; N83-E224 WeakPolarHBondContact CB-OE1 3.45Å; N83-E224 PolarHBondContact N-OE1 3.07Å; N83-E224 PolarHBondContact ND2-OE1 3Å
84	I	95.5	Very high	88.4	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-63.8	-50.6	172.3	-71.7	178.6	0	0	0	109.8	D82 L86 V87 M88 F98 Y132 L133 L212 F215 I221	D82-I84 PolarHBondContact O-N 3.11Å; D82-I84 WeakPolarHBondContact OD1-CB 3Å; D82-I84 PolarHBondContact OD1-N 3.26Å; I84-L86 VanDerWaalsContact C-N 3.26Å; I84-L86 PolarHBondContact O-N 3.29Å; I84-V87 PolarHBondContact O-N 2.92Å; I84-V87 VanDerWaalsContact O-N 3.14Å; I84-M88 HydrophobicContact CG2-CE 3.81Å; I84-M88 HydrophobicContact CG2-CG 4.43Å; I84-M88 HydrophobicContact CG2-SD 3.99Å; I84-M88 WeakPolarHBondContact O-CG 3.33Å; I84-M88 PolarHBondContact O-N 2.98Å; I84-F98 HydrophobicContact CG2-CE1 4.4Å; I84-F98 HydrophobicContact CG2-CZ 4.32Å; I84-Y132 HydrophobicContact CD1-CD1 4.11Å; I84-Y132 HydrophobicContact CD1-CE1 3.48Å; I84-Y132 VanDerWaalsContact CD1-CE1 3.48Å; I84-Y132 HydrophobicContact CG1-CD1 4.48Å; I84-Y132 HydrophobicContact CG1-CE1 3.61Å; I84-Y132 PolarHBondContact N-OH 3.3Å; I84-L133 HydrophobicContact CD1-CD2 3.62Å; I84-L212 HydrophobicContact CD1-CD1 4.02Å; I84-L212 HydrophobicContact CD1-CD2 4.08Å; I84-L212 HydrophobicContact CD1-CG 3.91Å; I84-L212 HydrophobicContact CG2-CD1 4.09Å; I84-F215 HydrophobicContact CG2-CD1 4.12Å; I84-F215 HydrophobicContact CG2-CE1 4.04Å; I84-I221 HydrophobicContact CG1-CG1 4.23Å; I84-I221 HydrophobicContact CG1-CG2 4.27Å
85	T	93.1	Very high	89	Confident	2 Å²	2	34 Å²	34	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-56.3	-43.8	177.1	-60.6	0	0	0	0	110.6	F71 L81 D82 V87 M88 V89 L95 L99	F71-T85 HydrophobicContact CD1-CG2 4.5Å; F71-T85 HydrophobicContact CE1-CG2 4.25Å; L81-T85 HydrophobicContact CD2-CG2 4.13Å; D82-T85 WeakPolarHBondContact O-CB 3.44Å; D82-T85 PolarHBondContact O-N 2.89Å; D82-T85 WeakPolarHBondContact OD1-CB 3.5Å; D82-T85 PolarHBondContact OD1-N 3.26Å; D82-T85 PolarHBondContact OD1-OG1 3.41Å; T85-V87 PolarHBondContact O-N 2.88Å; T85-M88 PolarHBondContact O-N 3.2Å; T85-V89 PolarHBondContact O-N 2.84Å; T85-L95 HydrophobicContact CG2-CD1 4.09Å; T85-L95 HydrophobicContact CG2-CD2 4.48Å; T85-L99 HydrophobicContact CG2-CD2 4.45Å
86	L	92.3	Very high	89.4	Confident	34 Å²	34	31.3 Å²	31.3	18%	0.178	19%	0.191	C	C	.	.	H	α-helix	trans	-64.8	-37.9	177.8	-67	175.4	0	0	0	112.8	P48 I57 F71 D82 N83 I84 V89	P48-L86 HydrophobicContact CB-CB 3.94Å; P48-L86 HydrophobicContact CB-CD1 4.3Å; P48-L86 HydrophobicContact CG-CB 3.76Å; P48-L86 HydrophobicContact CG-CD1 3.64Å; P48-L86 HydrophobicContact CG-CG 4.35Å; I57-L86 HydrophobicContact CG2-CB 4.37Å; I57-L86 WeakPolarHBondContact CG2-O 3.29Å; F71-L86 HydrophobicContact CZ-CD2 4.41Å; D82-L86 WeakPolarHBondContact O-CG 3.37Å; D82-L86 PolarHBondContact O-N 3.34Å; N83-L86 PolarHBondContact O-N 3.49Å; I84-L86 VanDerWaalsContact C-N 3.26Å; I84-L86 PolarHBondContact O-N 3.29Å; L86-V89 WeakPolarHBondContact O-CB 3.41Å; L86-V89 WeakPolarHBondContact O-CG1 3.47Å
87	V	95.4	Very high	90	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-75.1	-35.8	177	171.9	0	0	0	0	112.1	P48 I52 I57 N83 I84 T85 V89 F90 F215 C219 I221 V465	P48-V87 HydrophobicContact CB-CG2 3.99Å; I52-V87 HydrophobicContact CD1-CG1 4.13Å; I57-V87 HydrophobicContact CD1-CG2 3.99Å; N83-V87 WeakPolarHBondContact O-CG2 3.45Å; N83-V87 PolarHBondContact O-N 3.46Å; I84-V87 PolarHBondContact O-N 2.92Å; I84-V87 VanDerWaalsContact O-N 3.14Å; T85-V87 PolarHBondContact O-N 2.88Å; V87-V89 PolarHBondContact O-N 3.09Å; V87-V89 VanDerWaalsContact O-N 3.1Å; V87-F90 VanDerWaalsContact O-CD2 3.25Å; V87-F90 WeakPolarHBondContact O-CD2 3.41Å; V87-F215 HydrophobicContact CG1-CE1 4.4Å; V87-F215 HydrophobicContact CG1-CZ 4.04Å; V87-C219 HydrophobicContact CG1-CB 4.03Å; V87-I221 HydrophobicContact CB-CD1 3.81Å; V87-I221 HydrophobicContact CG1-CD1 4.24Å; V87-I221 HydrophobicContact CG2-CD1 3.47Å; V87-I221 VanDerWaalsContact CG2-CD1 3.47Å; V87-V465 HydrophobicContact CG1-CG1 4.28Å; V87-V465 HydrophobicContact CG1-CG2 3.9Å
88	M	95.3	Very high	91	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65.5	-10.1	176.7	-75.4	-176.4	176.2	0	0	113.4	I84 T85 F90 H91 Y94 L95 F98 L212 F215 L469 I472	I84-M88 HydrophobicContact CG2-CE 3.81Å; I84-M88 HydrophobicContact CG2-CG 4.43Å; I84-M88 HydrophobicContact CG2-SD 3.99Å; I84-M88 WeakPolarHBondContact O-CG 3.33Å; I84-M88 PolarHBondContact O-N 2.98Å; T85-M88 PolarHBondContact O-N 3.2Å; M88-F90 PolarHBondContact O-N 3.49Å; M88-F90 VanDerWaalsContact O-N 3.09Å; M88-H91 CarbonylContact O-C 3.32Å; M88-H91 PolarHBondContact O-N 3.05Å; M88-Y94 HydrophobicContact CE-CE1 3.88Å; M88-Y94 HydrophobicContact SD-CD1 4.34Å; M88-Y94 HydrophobicContact SD-CE1 3.88Å; M88-L95 HydrophobicContact CB-CB 4.21Å; M88-L95 HydrophobicContact CB-CD1 3.8Å; M88-L95 HydrophobicContact CB-CG 4.39Å; M88-L95 HydrophobicContact SD-CD1 4.38Å; M88-F98 HydrophobicContact CE-CD1 4.48Å; M88-F98 HydrophobicContact CE-CD2 3.94Å; M88-F98 HydrophobicContact CE-CE1 4.43Å; M88-F98 HydrophobicContact CE-CE2 3.9Å; M88-F98 HydrophobicContact CE-CG 4.25Å; M88-F98 HydrophobicContact CE-CZ 4.16Å; M88-F98 HydrophobicContact SD-CB 4.31Å; M88-F98 HydrophobicContact SD-CD1 3.69Å; M88-F98 HydrophobicContact SD-CD2 4.07Å; M88-F98 HydrophobicContact SD-CE1 3.98Å; M88-F98 HydrophobicContact SD-CE2 4.34Å; M88-F98 HydrophobicContact SD-CG 3.74Å; M88-F98 HydrophobicContact SD-CZ 4.3Å; M88-L212 HydrophobicContact CE-CD1 4.1Å; M88-F215 HydrophobicContact CE-CD1 3.86Å; M88-F215 HydrophobicContact CE-CD2 4.36Å; M88-F215 HydrophobicContact CE-CE1 3.75Å; M88-F215 HydrophobicContact CE-CE2 4.26Å; M88-F215 HydrophobicContact CE-CG 4.16Å; M88-F215 HydrophobicContact CE-CZ 3.96Å; M88-F215 HydrophobicContact CG-CE1 3.84Å; M88-F215 HydrophobicContact CG-CE2 4.44Å; M88-F215 HydrophobicContact CG-CZ 3.61Å; M88-L469 HydrophobicContact CE-CD2 4.11Å; M88-L469 HydrophobicContact CG-CD2 4.4Å; M88-I472 HydrophobicContact CE-CD1 4.48Å
89	V	92	Very high	92.1	Very high	2 Å²	2	23 Å²	23	1%	0.012	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-24	177	80.9	0	0	0	0	113.7	I57 V60 M67 F71 T85 L86 V87 H91 P92	I57-V89 HydrophobicContact CG2-CG1 4.1Å; V60-V89 HydrophobicContact CB-CG1 4.12Å; V60-V89 HydrophobicContact CG1-CG1 4.18Å; V60-V89 HydrophobicContact CG1-CG2 4.22Å; V60-V89 WeakPolarHBondContact CG1-O 3.41Å; M67-V89 HydrophobicContact CG-CG2 4.49Å; M67-V89 HydrophobicContact SD-CG2 4.21Å; F71-V89 HydrophobicContact CE1-CG2 4.35Å; F71-V89 HydrophobicContact CE2-CG2 4.27Å; F71-V89 HydrophobicContact CZ-CB 4.14Å; F71-V89 HydrophobicContact CZ-CG2 3.54Å; T85-V89 PolarHBondContact O-N 2.84Å; L86-V89 WeakPolarHBondContact O-CB 3.41Å; L86-V89 WeakPolarHBondContact O-CG1 3.47Å; V87-V89 PolarHBondContact O-N 3.09Å; V87-V89 VanDerWaalsContact O-N 3.1Å; V89-H91 PolarHBondContact O-N 3.38Å; V89-H91 VanDerWaalsContact O-N 3.09Å; V89-P92 WeakPolarHBondContact O-CD 3.46Å
90	F	93.1	Very high	92.9	Very high	19 Å²	19	24.8 Å²	24.8	8%	0.083	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-23	173.1	-72.6	-66.7	0	0	0	112.8	I52 E56 I57 V60 V87 M88 V465	I52-F90 HydrophobicContact CD1-CE2 4.18Å; I52-F90 HydrophobicContact CG2-CE2 4.11Å; I52-F90 HydrophobicContact CG2-CZ 4.06Å; E56-F90 HydrophobicContact CB-CZ 4.38Å; I57-F90 HydrophobicContact CG1-CE2 3.91Å; I57-F90 HydrophobicContact CG1-CZ 4.04Å; V60-F90 HydrophobicContact CG2-CD1 3.79Å; V60-F90 HydrophobicContact CG2-CE1 3.77Å; V87-F90 VanDerWaalsContact O-CD2 3.25Å; V87-F90 WeakPolarHBondContact O-CD2 3.41Å; M88-F90 PolarHBondContact O-N 3.49Å; M88-F90 VanDerWaalsContact O-N 3.09Å; F90-V465 HydrophobicContact CB-CG1 4.46Å; F90-V465 HydrophobicContact CD2-CB 4.23Å; F90-V465 HydrophobicContact CD2-CG1 4.39Å; F90-V465 HydrophobicContact CD2-CG2 3.83Å; F90-V465 HydrophobicContact CE2-CG2 4.24Å
91	H	94.4	Very high	93.5	Very high	3 Å²	3	23 Å²	23	1%	0.014	11%	0.113	C	C	.	.			trans	-130.9	76.4	-178.9	-54.8	-56.1	0	0	0	111.7	M88 V89 Q93 Y94 L95 L385 Y387 S462 H466 L469	M88-H91 CarbonylContact O-C 3.32Å; M88-H91 PolarHBondContact O-N 3.05Å; V89-H91 PolarHBondContact O-N 3.38Å; V89-H91 VanDerWaalsContact O-N 3.09Å; H91-Q93 VanDerWaalsContact C-N 3.32Å; H91-Q93 PolarHBondContact O-N 3.14Å; H91-Q93 VanDerWaalsContact O-N 3.17Å; H91-Y94 PolarHBondContact O-N 3.01Å; H91-Y94 VanDerWaalsContact O-N 3.07Å; H91-L95 PolarHBondContact O-N 2.81Å; H91-L385 HydrophobicContact CB-CD2 3.98Å; H91-Y387 AromaticContact CE1-CE2 3.64Å; H91-Y387 AromaticContact ND1-CE2 3.36Å; H91-Y387 WeakPolarHBondContact ND1-CE2 3.45Å; H91-Y387 AromaticContact ND1-CZ 3.59Å; H91-Y387 PolarHBondContact ND1-OH 2.65Å; H91-S462 PolarHBondContact CE1-O 3.06Å; H91-S462 PolarHBondContact NE2-O 2.89Å; H91-H466 WeakPolarHBondContact NE2-CA 3.45Å; H91-H466 WeakPolarHBondContact NE2-CB 2.89Å; H91-H466 PolarHBondContact NE2-N 2.9Å; H91-H466 VanDerWaalsContact NE2-N 3.16Å; H91-L469 HydrophobicContact CB-CD1 3.9Å; H91-L469 VanDerWaalsContact CD2-CD1 3.47Å; H91-L469 WeakPolarHBondContact CD2-CD1 3.18Å
92	P	91.2	Very high	94	Very high	35 Å²	35	22.1 Å²	22.1	23%	0.227	11%	0.108	C	C	.	.	H	α-helix	trans	-40.7	-50.6	179.1	-40.1	43.7	0	0	0	116	M67 V89 Y94 L95 E96	M67-P92 HydrophobicContact CE-CB 3.35Å; M67-P92 HydrophobicContact CE-CG 3.91Å; M67-P92 HydrophobicContact CG-CG 4.31Å; M67-P92 HydrophobicContact SD-CB 3.74Å; M67-P92 HydrophobicContact SD-CG 3.67Å; V89-P92 WeakPolarHBondContact O-CD 3.46Å; P92-Y94 PolarHBondContact O-N 3.48Å; P92-L95 PolarHBondContact O-N 3.16Å; P92-E96 PolarHBondContact O-N 3.33Å
93	Q	92.1	Very high	94.1	Very high	117 Å²	117	25.1 Å²	25.1	55%	0.547	12%	0.121	S	C	.	.	H	α-helix	trans	-65.3	-41.1	-175.8	-173.4	-179.3	9.8	0	0	111.9	H91 S97 I381	H91-Q93 VanDerWaalsContact C-N 3.32Å; H91-Q93 PolarHBondContact O-N 3.14Å; H91-Q93 VanDerWaalsContact O-N 3.17Å; Q93-S97 PolarHBondContact O-N 3.27Å; Q93-I381 HydrophobicContact CG-CD1 4.13Å; Q93-I381 HydrophobicContact CG-CG1 4.33Å; Q93-I381 HydrophobicContact CG-CG2 4.2Å
94	Y	96.1	Very high	94.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-69.4	-43.6	175.6	177.5	-85.1	0	0	0	110.6	M88 H91 P92 E96 S97 F98 I381 A382 L469 E473	M88-Y94 HydrophobicContact CE-CE1 3.88Å; M88-Y94 HydrophobicContact SD-CD1 4.34Å; M88-Y94 HydrophobicContact SD-CE1 3.88Å; H91-Y94 PolarHBondContact O-N 3.01Å; H91-Y94 VanDerWaalsContact O-N 3.07Å; P92-Y94 PolarHBondContact O-N 3.48Å; Y94-E96 VanDerWaalsContact C-N 3.31Å; Y94-E96 PolarHBondContact O-N 3.47Å; Y94-S97 PolarHBondContact O-N 3.36Å; Y94-F98 HydrophobicContact CD1-CB 4.33Å; Y94-F98 HydrophobicContact CE1-CB 3.92Å; Y94-F98 HydrophobicContact CE1-CD2 4.31Å; Y94-F98 HydrophobicContact CE1-CG 4.35Å; Y94-F98 WeakPolarHBondContact O-CB 3.04Å; Y94-F98 PolarHBondContact O-N 3.43Å; Y94-I381 HydrophobicContact CD2-CG2 4.28Å; Y94-A382 HydrophobicContact CD2-CB 4.13Å; Y94-A382 HydrophobicContact CE2-CB 4.07Å; Y94-L469 HydrophobicContact CD1-CD1 3.64Å; Y94-L469 HydrophobicContact CD1-CD2 3.69Å; Y94-L469 HydrophobicContact CD1-CG 4.25Å; Y94-L469 HydrophobicContact CD2-CD1 4.31Å; Y94-L469 HydrophobicContact CE1-CD1 4.2Å; Y94-L469 HydrophobicContact CE1-CD2 3.37Å; Y94-L469 HydrophobicContact CE1-CG 4.32Å; Y94-L469 HydrophobicContact CE2-CD2 4.48Å; Y94-L469 HydrophobicContact CG-CD1 3.72Å; Y94-L469 HydrophobicContact CG-CD2 4.4Å; Y94-E473 HydrophobicContact CE2-CG 3.91Å; Y94-E473 PolarHBondContact OH-OE1 3.06Å
95	L	94.2	Very high	94.3	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.7	-43.3	178.9	175	58	0	0	0	111.7	L70 F71 T85 M88 H91 P92 S97 F98 L99	L70-L95 HydrophobicContact CD2-CB 4.4Å; L70-L95 HydrophobicContact CD2-CD2 3.85Å; L70-L95 HydrophobicContact CD2-CG 3.84Å; F71-L95 HydrophobicContact CE1-CD2 4.2Å; T85-L95 HydrophobicContact CG2-CD1 4.09Å; T85-L95 HydrophobicContact CG2-CD2 4.48Å; M88-L95 HydrophobicContact CB-CB 4.21Å; M88-L95 HydrophobicContact CB-CD1 3.8Å; M88-L95 HydrophobicContact CB-CG 4.39Å; M88-L95 HydrophobicContact SD-CD1 4.38Å; H91-L95 PolarHBondContact O-N 2.81Å; P92-L95 PolarHBondContact O-N 3.16Å; L95-S97 PolarHBondContact O-N 2.82Å; L95-F98 HydrophobicContact CD1-CD1 4.43Å; L95-F98 WeakPolarHBondContact O-CB 3.35Å; L95-F98 PolarHBondContact O-N 3.14Å; L95-L99 HydrophobicContact CD1-CD1 3.71Å; L95-L99 HydrophobicContact CD1-CD2 4.35Å; L95-L99 HydrophobicContact CD1-CG 3.79Å; L95-L99 HydrophobicContact CG-CD1 3.83Å; L95-L99 HydrophobicContact CG-CG 4.35Å; L95-L99 WeakPolarHBondContact O-CB 3.37Å; L95-L99 VanDerWaalsContact O-CG 3.27Å; L95-L99 WeakPolarHBondContact O-CG 3.41Å; L95-L99 PolarHBondContact O-N 3.5Å
96	E	92.4	Very high	94.4	Very high	60 Å²	60	26.5 Å²	26.5	28%	0.28	13%	0.126	S	C	.	.	H	α-helix	trans	-59.3	-48	176.6	-173.8	-176.8	162.9	0	0	112	L70 P92 Y94 F98 L99 K100	L70-E96 HydrophobicContact CD1-CB 4.28Å; L70-E96 HydrophobicContact CD1-CG 4.17Å; L70-E96 HydrophobicContact CD2-CB 4.33Å; P92-E96 PolarHBondContact O-N 3.33Å; Y94-E96 VanDerWaalsContact C-N 3.31Å; Y94-E96 PolarHBondContact O-N 3.47Å; E96-F98 VanDerWaalsContact C-N 3.35Å; E96-L99 PolarHBondContact O-N 3.36Å; E96-K100 HydrophobicContact CG-CD 4.47Å; E96-K100 WeakPolarHBondContact O-CG 3.14Å; E96-K100 PolarHBondContact O-N 2.9Å; E96-K100 VanDerWaalsContact OE1-CE 3.28Å; E96-K100 WeakPolarHBondContact OE1-CE 3.36Å; E96-K100 IonicContact OE1-NZ 2.67Å; E96-K100 PolarHBondContact OE1-NZ 3.4Å
97	S	95.6	Very high	94.4	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.014	13%	0.134	C	C	.	.	H	α-helix	trans	-65.2	-38.2	177.5	-176.6	0	0	0	0	112.2	Q93 Y94 L95 T101 K378	Q93-S97 PolarHBondContact O-N 3.27Å; Y94-S97 PolarHBondContact O-N 3.36Å; L95-S97 PolarHBondContact O-N 2.82Å; S97-T101 WeakPolarHBondContact O-CB 3.35Å; S97-T101 PolarHBondContact O-N 3.21Å; S97-T101 PolarHBondContact O-OG1 2.62Å; S97-K378 VanDerWaalsContact OG-CG 3.28Å; S97-K378 WeakPolarHBondContact OG-CG 3.4Å
98	F	96.5	Very high	94.4	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.026	15%	0.153	C	C	.	.	H	α-helix	trans	-60.5	-48.7	174.6	175	-94.5	0	0	0	111.9	I84 M88 Y94 L95 E96 T101 Q102 H208 L212	I84-F98 HydrophobicContact CG2-CE1 4.4Å; I84-F98 HydrophobicContact CG2-CZ 4.32Å; M88-F98 HydrophobicContact CE-CD1 4.48Å; M88-F98 HydrophobicContact CE-CD2 3.94Å; M88-F98 HydrophobicContact CE-CE1 4.43Å; M88-F98 HydrophobicContact CE-CE2 3.9Å; M88-F98 HydrophobicContact CE-CG 4.25Å; M88-F98 HydrophobicContact CE-CZ 4.16Å; M88-F98 HydrophobicContact SD-CB 4.31Å; M88-F98 HydrophobicContact SD-CD1 3.69Å; M88-F98 HydrophobicContact SD-CD2 4.07Å; M88-F98 HydrophobicContact SD-CE1 3.98Å; M88-F98 HydrophobicContact SD-CE2 4.34Å; M88-F98 HydrophobicContact SD-CG 3.74Å; M88-F98 HydrophobicContact SD-CZ 4.3Å; Y94-F98 HydrophobicContact CD1-CB 4.33Å; Y94-F98 HydrophobicContact CE1-CB 3.92Å; Y94-F98 HydrophobicContact CE1-CD2 4.31Å; Y94-F98 HydrophobicContact CE1-CG 4.35Å; Y94-F98 WeakPolarHBondContact O-CB 3.04Å; Y94-F98 PolarHBondContact O-N 3.43Å; L95-F98 HydrophobicContact CD1-CD1 4.43Å; L95-F98 WeakPolarHBondContact O-CB 3.35Å; L95-F98 PolarHBondContact O-N 3.14Å; E96-F98 VanDerWaalsContact C-N 3.35Å; F98-T101 WeakPolarHBondContact O-CB 3.46Å; F98-T101 PolarHBondContact O-N 3.45Å; F98-Q102 HydrophobicContact CD1-CG 4.26Å; F98-Q102 HydrophobicContact CE1-CG 3.75Å; F98-Q102 HydrophobicContact CE2-CG 4.23Å; F98-Q102 HydrophobicContact CZ-CG 3.73Å; F98-Q102 PolarHBondContact O-N 3.49Å; F98-H208 AromaticContact CE2-CE1 3.7Å; F98-H208 AromaticContact CE2-NE2 3.79Å; F98-L212 HydrophobicContact CE2-CD1 3.8Å; F98-L212 HydrophobicContact CE2-CD2 4.42Å; F98-L212 HydrophobicContact CZ-CD1 3.85Å; F98-L212 HydrophobicContact CZ-CD2 4.05Å
99	L	93.9	Very high	94.3	Very high	22 Å²	22	39.4 Å²	39.4	12%	0.115	19%	0.191	C	C	.	.	H	α-helix	trans	-65.5	-41.6	-179.9	-70.4	166.9	0	0	0	112.1	L70 S74 T85 L95 E96 T101 Q102 H103	L70-L99 HydrophobicContact CD1-CD1 3.74Å; L70-L99 HydrophobicContact CD2-CD1 4.08Å; L70-L99 HydrophobicContact CG-CD1 3.77Å; S74-L99 WeakPolarHBondContact OG-CD1 3.07Å; T85-L99 HydrophobicContact CG2-CD2 4.45Å; L95-L99 HydrophobicContact CD1-CD1 3.71Å; L95-L99 HydrophobicContact CD1-CD2 4.35Å; L95-L99 HydrophobicContact CD1-CG 3.79Å; L95-L99 HydrophobicContact CG-CD1 3.83Å; L95-L99 HydrophobicContact CG-CG 4.35Å; L95-L99 WeakPolarHBondContact O-CB 3.37Å; L95-L99 VanDerWaalsContact O-CG 3.27Å; L95-L99 WeakPolarHBondContact O-CG 3.41Å; L95-L99 PolarHBondContact O-N 3.5Å; E96-L99 PolarHBondContact O-N 3.36Å; L99-T101 VanDerWaalsContact C-N 3.31Å; L99-T101 PolarHBondContact O-N 3.09Å; L99-Q102 PolarHBondContact O-N 2.91Å; L99-H103 WeakPolarHBondContact O-CB 3.17Å; L99-H103 PolarHBondContact O-N 2.85Å
100	K	94	Very high	94.6	Very high	91 Å²	91	40.7 Å²	40.7	40%	0.396	21%	0.205	S	C	.	.	H	α-helix	trans	-58	-45	172.7	-73.7	173.7	-174.4	167	0	111.4	E96 H103 Y104 L374	E96-K100 HydrophobicContact CG-CD 4.47Å; E96-K100 WeakPolarHBondContact O-CG 3.14Å; E96-K100 PolarHBondContact O-N 2.9Å; E96-K100 VanDerWaalsContact OE1-CE 3.28Å; E96-K100 WeakPolarHBondContact OE1-CE 3.36Å; E96-K100 IonicContact OE1-NZ 2.67Å; E96-K100 PolarHBondContact OE1-NZ 3.4Å; K100-H103 PolarHBondContact O-N 3.25Å; K100-Y104 WeakPolarHBondContact O-CB 3.5Å; K100-Y104 PolarHBondContact O-N 3.29Å; K100-L374 HydrophobicContact CB-CD2 4.23Å
101	T	96.7	Very high	94.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-46.9	177.3	-57.4	0	0	0	0	111.2	S97 F98 L99 H103 Y104 L105 K378	S97-T101 WeakPolarHBondContact O-CB 3.35Å; S97-T101 PolarHBondContact O-N 3.21Å; S97-T101 PolarHBondContact O-OG1 2.62Å; F98-T101 WeakPolarHBondContact O-CB 3.46Å; F98-T101 PolarHBondContact O-N 3.45Å; L99-T101 VanDerWaalsContact C-N 3.31Å; L99-T101 PolarHBondContact O-N 3.09Å; T101-H103 PolarHBondContact O-N 3.06Å; T101-Y104 PolarHBondContact O-N 3.43Å; T101-L105 HydrophobicContact CG2-CD1 3.91Å; T101-L105 HydrophobicContact CG2-CG 4.24Å; T101-L105 WeakPolarHBondContact O-CB 3.42Å; T101-L105 VanDerWaalsContact O-CG 3.26Å; T101-L105 WeakPolarHBondContact O-CG 3.43Å; T101-L105 PolarHBondContact O-N 2.97Å; T101-K378 HydrophobicContact CG2-CD 4.03Å; T101-K378 WeakPolarHBondContact OG1-CD 3.26Å
102	Q	94.8	Very high	94.9	Very high	33 Å²	33	41.8 Å²	41.8	15%	0.154	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-47.5	177.5	-82.1	-71.1	-73	0	0	112.3	F98 L99 Y104 L105 L106 H208 Y209	F98-Q102 HydrophobicContact CD1-CG 4.26Å; F98-Q102 HydrophobicContact CE1-CG 3.75Å; F98-Q102 HydrophobicContact CE2-CG 4.23Å; F98-Q102 HydrophobicContact CZ-CG 3.73Å; F98-Q102 PolarHBondContact O-N 3.49Å; L99-Q102 PolarHBondContact O-N 2.91Å; Q102-Y104 VanDerWaalsContact C-N 3.32Å; Q102-Y104 PolarHBondContact O-N 2.88Å; Q102-L105 PolarHBondContact O-N 2.92Å; Q102-L106 WeakPolarHBondContact O-CB 3.37Å; Q102-L106 PolarHBondContact O-N 3.31Å; Q102-H208 PolarHBondContact NE2-CD2 2.92Å; Q102-H208 PolarHBondContact NE2-NE2 3.29Å; Q102-Y209 PolarHBondContact NE2-OH 3.48Å; Q102-Y209 PolarHBondContact OE1-OH 3.36Å
103	H	93.5	Very high	95.3	Very high	82 Å²	82	43 Å²	43	38%	0.38	22%	0.222	S	C	.	.	H	α-helix	trans	-57	-46.3	176.3	179.4	72.8	0	0	0	111.5	L99 K100 T101 Q107 M108	L99-H103 WeakPolarHBondContact O-CB 3.17Å; L99-H103 PolarHBondContact O-N 2.85Å; K100-H103 PolarHBondContact O-N 3.25Å; T101-H103 PolarHBondContact O-N 3.06Å; H103-Q107 PolarHBondContact CE1-OE1 2.75Å; H103-Q107 PolarHBondContact ND1-OE1 3.27Å; H103-Q107 WeakPolarHBondContact O-CA 3.34Å; H103-Q107 WeakPolarHBondContact O-CB 3.43Å; H103-Q107 PolarHBondContact O-N 3.22Å; H103-M108 PolarHBondContact NE2-SD 3.12Å; H103-M108 VanDerWaalsContact NE2-SD 3.43Å; H103-M108 PolarHBondContact O-N 2.95Å
104	Y	96.1	Very high	95.5	Very high	36 Å²	36	40.6 Å²	40.6	14%	0.141	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-47.4	178.3	-166.2	-99.1	0	0	0	112.4	K100 T101 Q102 L106 M108 Y368 P369 D370 V371 L374	K100-Y104 WeakPolarHBondContact O-CB 3.5Å; K100-Y104 PolarHBondContact O-N 3.29Å; T101-Y104 PolarHBondContact O-N 3.43Å; Q102-Y104 VanDerWaalsContact C-N 3.32Å; Q102-Y104 PolarHBondContact O-N 2.88Å; Y104-L106 PolarHBondContact O-N 3.21Å; Y104-M108 HydrophobicContact CD2-CB 4.01Å; Y104-M108 HydrophobicContact CD2-CG 4.06Å; Y104-M108 HydrophobicContact CE2-CB 4.35Å; Y104-Y368 HydrophobicContact CD1-CE1 4.42Å; Y104-Y368 HydrophobicContact CD1-CE2 4.44Å; Y104-Y368 AromaticContact CD1-CZ 3.92Å; Y104-Y368 HydrophobicContact CE1-CD2 4.25Å; Y104-Y368 HydrophobicContact CE1-CE1 4.1Å; Y104-Y368 AromaticContact CE1-CE2 3.53Å; Y104-Y368 HydrophobicContact CE1-CE2 3.53Å; Y104-Y368 AromaticContact CE1-CZ 3.44Å; Y104-Y368 VanDerWaalsContact CE1-CZ 3.44Å; Y104-Y368 PolarHBondContact O-OH 3.19Å; Y104-P369 PolarHBondContact OH-O 2.83Å; Y104-D370 HydrophobicContact CE2-CB 4.33Å; Y104-V371 HydrophobicContact CD1-CB 4.23Å; Y104-V371 HydrophobicContact CD1-CG2 4.15Å; Y104-V371 HydrophobicContact CE1-CB 3.91Å; Y104-V371 HydrophobicContact CE1-CG2 4.3Å; Y104-L374 VanDerWaalsContact CB-CD1 3.42Å; Y104-L374 HydrophobicContact CD1-CD1 3.67Å; Y104-L374 HydrophobicContact CD2-CD1 3.98Å; Y104-L374 HydrophobicContact CE1-CD1 4.44Å; Y104-L374 HydrophobicContact CG-CD1 3.4Å
105	L	97.3	Very high	95.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-40	-178.5	-68.8	-179.5	0	0	0	112.5	T101 Q102 R117 H201 V204 L205 H208 Y368 V371	T101-L105 HydrophobicContact CG2-CD1 3.91Å; T101-L105 HydrophobicContact CG2-CG 4.24Å; T101-L105 WeakPolarHBondContact O-CB 3.42Å; T101-L105 VanDerWaalsContact O-CG 3.26Å; T101-L105 WeakPolarHBondContact O-CG 3.43Å; T101-L105 PolarHBondContact O-N 2.97Å; Q102-L105 PolarHBondContact O-N 2.92Å; L105-R117 WeakPolarHBondContact O-CD 3.38Å; L105-R117 PolarHBondContact O-NH1 3.46Å; L105-H201 PolarHBondContact O-NE2 3.44Å; L105-V204 HydrophobicContact CD1-CG1 4.1Å; L105-V204 HydrophobicContact CD2-CG1 3.59Å; L105-L205 HydrophobicContact CB-CD2 4.06Å; L105-L205 HydrophobicContact CD1-CD2 4.5Å; L105-H208 HydrophobicContact CD1-CB 4.49Å; L105-Y368 HydrophobicContact CD2-CE1 3.95Å; L105-V371 HydrophobicContact CD2-CG2 3.68Å
106	L	95.8	Very high	95.8	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.063	23%	0.232	C	C	.	.	H	α-helix	trans	-105.1	-20.6	-168.5	-62	178.7	0	0	0	115.2	Q102 Y104 L114 R117 L205 Y209	Q102-L106 WeakPolarHBondContact O-CB 3.37Å; Q102-L106 PolarHBondContact O-N 3.31Å; Y104-L106 PolarHBondContact O-N 3.21Å; L106-L114 WeakPolarHBondContact O-CD2 3.39Å; L106-R117 HydrophobicContact CD2-CB 4.19Å; L106-L205 HydrophobicContact CD2-CD2 4.04Å; L106-Y209 WeakPolarHBondContact CD1-OH 3.18Å; L106-Y209 HydrophobicContact CD2-CE2 4.46Å
107	Q	92.9	Very high	96.1	Very high	75 Å²	75	42.6 Å²	42.6	35%	0.35	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-35	-171	-59.5	-174.9	-26.7	0	0	113.2	A77 H103	A77-Q107 PolarHBondContact O-NE2 3Å; H103-Q107 PolarHBondContact CE1-OE1 2.75Å; H103-Q107 PolarHBondContact ND1-OE1 3.27Å; H103-Q107 WeakPolarHBondContact O-CA 3.34Å; H103-Q107 WeakPolarHBondContact O-CB 3.43Å; H103-Q107 PolarHBondContact O-N 3.22Å
108	M	94.4	Very high	96.2	Very high	80 Å²	80	42.9 Å²	42.9	39%	0.394	22%	0.221	S	C	.	.	S	Bend	trans	-74.5	163.8	-178.1	-66.4	-61.1	-65.6	0	0	113	H103 Y104 G110 R117	H103-M108 PolarHBondContact NE2-SD 3.12Å; H103-M108 VanDerWaalsContact NE2-SD 3.43Å; H103-M108 PolarHBondContact O-N 2.95Å; Y104-M108 HydrophobicContact CD2-CB 4.01Å; Y104-M108 HydrophobicContact CD2-CG 4.06Å; Y104-M108 HydrophobicContact CE2-CB 4.35Å; M108-G110 PolarHBondContact O-N 3.24Å; M108-R117 PolarHBondContact O-NH1 3.27Å; M108-R117 PolarHBondContact O-NH2 3.21Å
109	D	94.3	Very high	96.3	Very high	150 Å²	150	42.6 Å²	42.6	80%	0.802	22%	0.22	S	C	*	.			trans	-58.2	139.2	174.3	-73.7	-29.3	0	0	0	111.1
110	G	96.6	Very high	96.6	Very high	30 Å²	30	41.6 Å²	41.6	31%	0.309	21%	0.214	S	C	.	.			trans	-171.1	171	-177.9	0	0	0	0	0	111.9	M108 L112 R117	M108-G110 PolarHBondContact O-N 3.24Å; G110-L112 PolarHBondContact O-N 2.83Å; G110-R117 VanDerWaalsContact N-NH2 3.13Å
111	P	97.2	Very high	96.8	Very high	42 Å²	42	37.2 Å²	37.2	27%	0.273	20%	0.196	S	C	.	.	S	Bend	trans	-57.9	-24.1	-172.9	-29.9	34.7	0	0	0	115.9	A197 E198 H201 Y368	P111-A197 HydrophobicContact CB-CB 4.01Å; P111-A197 HydrophobicContact CG-CB 3.81Å; P111-E198 HydrophobicContact CB-CG 4.1Å; P111-H201 HydrophobicContact CB-CB 4.41Å; P111-H201 WeakPolarHBondContact CD-ND1 3.48Å; P111-H201 HydrophobicContact CG-CB 4.37Å; P111-Y368 HydrophobicContact CG-CD2 4.25Å
112	L	98.2	Very high	96.9	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	20%	0.195	C	C	.	.	S	Bend	trans	-109.2	144.2	-176.9	-69	171.1	0	0	0	111.2	G110 Y116 R117 I120 W194 E198 H201 A202 L205	G110-L112 PolarHBondContact O-N 2.83Å; L112-Y116 HydrophobicContact CD2-CD1 4.41Å; L112-R117 HydrophobicContact CB-CG 3.95Å; L112-R117 VanDerWaalsContact O-CZ 3.28Å; L112-R117 PolarHBondContact O-NE 3Å; L112-R117 PolarHBondContact O-NH2 3.39Å; L112-I120 HydrophobicContact CD1-CD1 3.67Å; L112-W194 HydrophobicContact CD1-CZ3 4.25Å; L112-W194 HydrophobicContact CD2-CH2 4.33Å; L112-W194 HydrophobicContact CD2-CZ3 3.77Å; L112-E198 HydrophobicContact CD2-CB 3.87Å; L112-E198 HydrophobicContact CD2-CG 3.86Å; L112-E198 HydrophobicContact CG-CB 4.37Å; L112-E198 HydrophobicContact CG-CG 4.44Å; L112-H201 HydrophobicContact CD1-CB 3.92Å; L112-H201 HydrophobicContact CG-CB 4.29Å; L112-A202 HydrophobicContact CD1-CB 4.21Å; L112-L205 HydrophobicContact CD1-CD1 4.3Å
113	P	97.8	Very high	97	Very high	59 Å²	59	35.7 Å²	35.7	38%	0.383	19%	0.188	S	C	.	.			trans	-70.6	151.4	172.1	31.3	-35.6	0	0	0	111.2	H115 Y116 R117	P113-H115 PolarHBondContact O-N 3.45Å; P113-Y116 HydrophobicContact CG-CD2 3.47Å; P113-Y116 VanDerWaalsContact CG-CD2 3.47Å; P113-Y116 HydrophobicContact CG-CE2 4.07Å; P113-Y116 HydrophobicContact CG-CG 3.75Å; P113-Y116 WeakPolarHBondContact O-CB 3.43Å; P113-Y116 PolarHBondContact O-N 2.97Å; P113-R117 WeakPolarHBondContact O-CG 3.46Å; P113-R117 PolarHBondContact O-N 3.24Å
114	L	98	Very high	97.3	Very high	67 Å²	67	31.8 Å²	31.8	35%	0.351	17%	0.17	S	C	.	.	H	α-helix	trans	-52.2	-46.7	-171.4	-56.7	175.7	0	0	0	113.8	L106 Y116 R117 H118 V144	L106-L114 WeakPolarHBondContact O-CD2 3.39Å; L114-Y116 VanDerWaalsContact C-N 3.28Å; L114-Y116 PolarHBondContact O-N 3.2Å; L114-R117 WeakPolarHBondContact O-CB 3.38Å; L114-R117 PolarHBondContact O-N 3.32Å; L114-H118 PolarHBondContact O-CD2 2.76Å; L114-H118 VanDerWaalsContact O-CD2 3.27Å; L114-H118 PolarHBondContact O-N 3.22Å; L114-H118 VanDerWaalsContact O-N 3.12Å; L114-V144 HydrophobicContact CB-CB 4.1Å; L114-V144 HydrophobicContact CB-CG1 4.23Å; L114-V144 HydrophobicContact CB-CG2 4.09Å; L114-V144 HydrophobicContact CD1-CG1 4.32Å
115	H	97.9	Very high	97.3	Very high	55 Å²	55	30 Å²	30	26%	0.255	16%	0.163	S	C	.	.	H	α-helix	trans	-64.7	-29.3	179.8	60.8	-84.4	0	0	0	112.8	P113 Y119 F141 V144 W150	P113-H115 PolarHBondContact O-N 3.45Å; H115-Y119 WeakPolarHBondContact O-CB 3.46Å; H115-Y119 PolarHBondContact O-N 3.06Å; H115-Y119 VanDerWaalsContact O-N 3.12Å; H115-F141 HydrophobicContact CB-CD2 4.03Å; H115-F141 HydrophobicContact CB-CE2 3.93Å; H115-F141 WeakPolarHBondContact O-CD2 3.24Å; H115-F141 WeakPolarHBondContact O-CE2 3.37Å; H115-V144 HydrophobicContact CB-CG2 3.91Å; H115-W150 AromaticContact CD2-CH2 3.54Å; H115-W150 AromaticContact CD2-CZ3 3.91Å; H115-W150 AromaticContact NE2-CH2 3.98Å
116	Y	98.5	Very high	97.3	Very high	40 Å²	40	30 Å²	30	16%	0.157	16%	0.163	C	C	.	.	H	α-helix	trans	-67.9	-40	171	-83.8	-129.6	0	0	0	110.6	L112 P113 L114 Y119 I120 W150 L161	L112-Y116 HydrophobicContact CD2-CD1 4.41Å; P113-Y116 HydrophobicContact CG-CD2 3.47Å; P113-Y116 VanDerWaalsContact CG-CD2 3.47Å; P113-Y116 HydrophobicContact CG-CE2 4.07Å; P113-Y116 HydrophobicContact CG-CG 3.75Å; P113-Y116 WeakPolarHBondContact O-CB 3.43Å; P113-Y116 PolarHBondContact O-N 2.97Å; L114-Y116 VanDerWaalsContact C-N 3.28Å; L114-Y116 PolarHBondContact O-N 3.2Å; Y116-Y119 PolarHBondContact O-N 3.43Å; Y116-I120 WeakPolarHBondContact O-CB 3.39Å; Y116-I120 WeakPolarHBondContact O-CG1 3.4Å; Y116-I120 PolarHBondContact O-N 3.09Å; Y116-W150 AromaticContact CD2-CH2 3.98Å; Y116-W150 HydrophobicContact CD2-CH2 3.98Å; Y116-W150 HydrophobicContact CD2-CZ3 4.19Å; Y116-W150 AromaticContact CE2-CH2 3.55Å; Y116-W150 HydrophobicContact CE2-CH2 3.55Å; Y116-W150 HydrophobicContact CE2-CZ3 4.16Å; Y116-L161 HydrophobicContact CD1-CD1 3.8Å; Y116-L161 HydrophobicContact CD1-CD2 3.74Å; Y116-L161 HydrophobicContact CD1-CG 3.78Å; Y116-L161 HydrophobicContact CD2-CD1 4.37Å; Y116-L161 HydrophobicContact CE1-CD1 3.85Å; Y116-L161 HydrophobicContact CE1-CD2 4.22Å; Y116-L161 HydrophobicContact CE1-CG 3.78Å; Y116-L161 HydrophobicContact CE2-CD1 4.45Å; Y116-L161 HydrophobicContact CG-CD1 4.05Å; Y116-L161 HydrophobicContact CG-CD2 4.4Å; Y116-L161 HydrophobicContact CG-CG 4.49Å
117	R	98.5	Very high	97.3	Very high	7 Å²	7	29.9 Å²	29.9	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-63.3	-47.5	-178	-49.6	-170.1	-160	173.9	5.6	111.7	L105 L106 M108 G110 L112 P113 L114 Y119 I120 G121 H201 L205	L105-R117 WeakPolarHBondContact O-CD 3.38Å; L105-R117 PolarHBondContact O-NH1 3.46Å; L106-R117 HydrophobicContact CD2-CB 4.19Å; M108-R117 PolarHBondContact O-NH1 3.27Å; M108-R117 PolarHBondContact O-NH2 3.21Å; G110-R117 VanDerWaalsContact N-NH2 3.13Å; L112-R117 HydrophobicContact CB-CG 3.95Å; L112-R117 VanDerWaalsContact O-CZ 3.28Å; L112-R117 PolarHBondContact O-NE 3Å; L112-R117 PolarHBondContact O-NH2 3.39Å; P113-R117 WeakPolarHBondContact O-CG 3.46Å; P113-R117 PolarHBondContact O-N 3.24Å; L114-R117 WeakPolarHBondContact O-CB 3.38Å; L114-R117 PolarHBondContact O-N 3.32Å; R117-Y119 PolarHBondContact O-N 3.07Å; R117-I120 PolarHBondContact O-N 3.24Å; R117-G121 PolarHBondContact O-N 3.43Å; R117-H201 PolarHBondContact NE-CE1 3.04Å; R117-L205 HydrophobicContact CB-CD1 3.82Å; R117-L205 HydrophobicContact CG-CD1 4.11Å
118	H	98.2	Very high	97.4	Very high	9 Å²	9	26.3 Å²	26.3	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-38.7	175.4	-66.2	-76.1	0	0	0	111.9	L114 I120 G121 I122 H137 D140 F141	L114-H118 PolarHBondContact O-CD2 2.76Å; L114-H118 VanDerWaalsContact O-CD2 3.27Å; L114-H118 PolarHBondContact O-N 3.22Å; L114-H118 VanDerWaalsContact O-N 3.12Å; H118-I120 PolarHBondContact O-N 2.97Å; H118-G121 WeakPolarHBondContact O-CA 3.46Å; H118-G121 PolarHBondContact O-N 3.4Å; H118-G121 VanDerWaalsContact O-N 3.16Å; H118-I122 WeakPolarHBondContact O-CG1 3.48Å; H118-I122 PolarHBondContact O-N 3.39Å; H118-H137 AromaticContact CG-ND1 3.92Å; H118-H137 AromaticContact ND1-CE1 3.92Å; H118-H137 AromaticContact ND1-ND1 3.28Å; H118-H137 PolarHBondContact ND1-ND1 3.31Å; H118-D140 VanDerWaalsContact CE1-CB 3.42Å; H118-D140 WeakPolarHBondContact CE1-CB 3.46Å; H118-D140 WeakPolarHBondContact ND1-CB 3.43Å; H118-F141 HydrophobicContact CB-CB 3.88Å
119	Y	98.7	Very high	97.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.1	-38.8	176.7	-164.5	-95.3	0	0	0	112.8	H115 Y116 R117 G121 I122 M123 F141 W150 L151 L154 A157 L161	H115-Y119 WeakPolarHBondContact O-CB 3.46Å; H115-Y119 PolarHBondContact O-N 3.06Å; H115-Y119 VanDerWaalsContact O-N 3.12Å; Y116-Y119 PolarHBondContact O-N 3.43Å; R117-Y119 PolarHBondContact O-N 3.07Å; Y119-G121 VanDerWaalsContact C-N 3.3Å; Y119-G121 PolarHBondContact O-N 2.89Å; Y119-I122 HydrophobicContact CD2-CD1 4.32Å; Y119-I122 WeakPolarHBondContact O-CB 3.42Å; Y119-I122 PolarHBondContact O-N 2.94Å; Y119-I122 VanDerWaalsContact O-N 3.16Å; Y119-M123 HydrophobicContact CD1-CG 3.97Å; Y119-M123 HydrophobicContact CD1-SD 3.73Å; Y119-M123 HydrophobicContact CE1-CG 3.79Å; Y119-M123 HydrophobicContact CE1-SD 3.68Å; Y119-M123 WeakPolarHBondContact O-CG 3.35Å; Y119-M123 PolarHBondContact O-N 3.38Å; Y119-F141 HydrophobicContact CD2-CD2 4.48Å; Y119-F141 HydrophobicContact CD2-CE2 4.11Å; Y119-F141 HydrophobicContact CD2-CZ 4.31Å; Y119-F141 HydrophobicContact CG-CE2 4.47Å; Y119-W150 HydrophobicContact CD1-CE3 4.43Å; Y119-W150 HydrophobicContact CD2-CB 4.1Å; Y119-W150 AromaticContact CD2-CE3 3.9Å; Y119-W150 HydrophobicContact CD2-CE3 3.9Å; Y119-W150 HydrophobicContact CE2-CB 3.55Å; Y119-W150 HydrophobicContact CE2-CE3 4.33Å; Y119-W150 WeakPolarHBondContact CE2-O 3.25Å; Y119-W150 AromaticContact CG-CE3 3.96Å; Y119-W150 HydrophobicContact CG-CE3 3.96Å; Y119-W150 HydrophobicContact CG-CZ3 4.49Å; Y119-W150 PolarHBondContact OH-O 3.47Å; Y119-L151 HydrophobicContact CD2-CD2 4.46Å; Y119-L151 HydrophobicContact CE2-CD2 4.34Å; Y119-L154 HydrophobicContact CE1-CD1 4.42Å; Y119-A157 HydrophobicContact CE1-CB 3.65Å; Y119-A157 WeakPolarHBondContact OH-CB 3.29Å; Y119-L161 HydrophobicContact CD1-CB 4.49Å; Y119-L161 HydrophobicContact CD1-CD1 3.79Å; Y119-L161 HydrophobicContact CE1-CD1 4.44Å; Y119-L161 HydrophobicContact CG-CD1 4.36Å
120	I	98.7	Very high	97.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.6	-39.7	172.3	-68.2	164.9	0	0	0	110.4	L112 Y116 R117 H118 I122 M123 A124 L161 L164 W194 A202 L205 L206	L112-I120 HydrophobicContact CD1-CD1 3.67Å; Y116-I120 WeakPolarHBondContact O-CB 3.39Å; Y116-I120 WeakPolarHBondContact O-CG1 3.4Å; Y116-I120 PolarHBondContact O-N 3.09Å; R117-I120 PolarHBondContact O-N 3.24Å; H118-I120 PolarHBondContact O-N 2.97Å; I120-I122 VanDerWaalsContact C-N 3.33Å; I120-I122 PolarHBondContact O-N 3.42Å; I120-M123 PolarHBondContact O-N 2.93Å; I120-A124 WeakPolarHBondContact O-CB 3.34Å; I120-A124 PolarHBondContact O-N 2.79Å; I120-L161 HydrophobicContact CD1-CD2 4.07Å; I120-L161 HydrophobicContact CG1-CD2 3.7Å; I120-L164 HydrophobicContact CD1-CD2 4.25Å; I120-L164 HydrophobicContact CG1-CD2 4Å; I120-L164 HydrophobicContact CG2-CD2 4.38Å; I120-W194 HydrophobicContact CD1-CH2 4.14Å; I120-A202 HydrophobicContact CD1-CB 3.97Å; I120-L205 HydrophobicContact CB-CD1 4.37Å; I120-L205 HydrophobicContact CD1-CD1 4.27Å; I120-L205 HydrophobicContact CG2-CB 3.71Å; I120-L205 HydrophobicContact CG2-CD1 4.3Å; I120-L206 HydrophobicContact CG2-CD2 3.67Å; I120-L206 HydrophobicContact CG2-CG 3.9Å
121	G	98.5	Very high	97.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57.8	-42.5	171.4	0	0	0	0	0	113	R117 H118 Y119 A124 A125	R117-G121 PolarHBondContact O-N 3.43Å; H118-G121 WeakPolarHBondContact O-CA 3.46Å; H118-G121 PolarHBondContact O-N 3.4Å; H118-G121 VanDerWaalsContact O-N 3.16Å; Y119-G121 VanDerWaalsContact C-N 3.3Å; Y119-G121 PolarHBondContact O-N 2.89Å; G121-A124 PolarHBondContact O-N 3.27Å; G121-A125 VanDerWaalsContact O-CB 3.31Å; G121-A125 WeakPolarHBondContact O-CB 3.23Å; G121-A125 PolarHBondContact O-N 2.78Å
122	I	98.2	Very high	96.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.1	-50.9	173	-64.7	169.2	0	0	0	110.5	H118 Y119 I120 A124 A125 A126 V134 H137 V138 F141 L151 H328	H118-I122 WeakPolarHBondContact O-CG1 3.48Å; H118-I122 PolarHBondContact O-N 3.39Å; Y119-I122 HydrophobicContact CD2-CD1 4.32Å; Y119-I122 WeakPolarHBondContact O-CB 3.42Å; Y119-I122 PolarHBondContact O-N 2.94Å; Y119-I122 VanDerWaalsContact O-N 3.16Å; I120-I122 VanDerWaalsContact C-N 3.33Å; I120-I122 PolarHBondContact O-N 3.42Å; I122-A124 VanDerWaalsContact C-N 3.3Å; I122-A124 PolarHBondContact O-N 3.1Å; I122-A125 PolarHBondContact O-N 3.32Å; I122-A126 WeakPolarHBondContact O-CB 3.35Å; I122-A126 PolarHBondContact O-N 2.9Å; I122-V134 HydrophobicContact CG2-CG1 4.1Å; I122-H137 HydrophobicContact CD1-CB 4.23Å; I122-H137 HydrophobicContact CG1-CB 3.47Å; I122-H137 VanDerWaalsContact CG1-CB 3.47Å; I122-V138 HydrophobicContact CD1-CG2 3.81Å; I122-V138 HydrophobicContact CG1-CG2 4.39Å; I122-F141 HydrophobicContact CD1-CB 4.43Å; I122-L151 HydrophobicContact CD1-CD2 3.69Å; I122-H328 HydrophobicContact CG2-CB 3.86Å
123	M	98.3	Very high	96.8	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-58.3	-42.5	-179.4	-69.9	175	65.3	0	0	111.9	Y119 I120 R127 L154 L161 L164 N168	Y119-M123 HydrophobicContact CD1-CG 3.97Å; Y119-M123 HydrophobicContact CD1-SD 3.73Å; Y119-M123 HydrophobicContact CE1-CG 3.79Å; Y119-M123 HydrophobicContact CE1-SD 3.68Å; Y119-M123 WeakPolarHBondContact O-CG 3.35Å; Y119-M123 PolarHBondContact O-N 3.38Å; I120-M123 PolarHBondContact O-N 2.93Å; M123-R127 PolarHBondContact O-N 3.41Å; M123-L154 HydrophobicContact CE-CD1 4.04Å; M123-L154 HydrophobicContact SD-CD1 4.33Å; M123-L161 WeakPolarHBondContact CE-O 3.47Å; M123-L164 HydrophobicContact CE-CB 4.35Å; M123-N168 PolarHBondContact O-ND2 3Å; M123-N168 VanDerWaalsContact O-ND2 3.1Å
124	A	98.5	Very high	96.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-67.8	-53.1	179.3	0	0	0	0	0	111.9	I120 G121 I122 A126 R127 L206 H210	I120-A124 WeakPolarHBondContact O-CB 3.34Å; I120-A124 PolarHBondContact O-N 2.79Å; G121-A124 PolarHBondContact O-N 3.27Å; I122-A124 VanDerWaalsContact C-N 3.3Å; I122-A124 PolarHBondContact O-N 3.1Å; A124-A126 PolarHBondContact O-N 3.25Å; A124-R127 WeakPolarHBondContact O-CB 3.38Å; A124-R127 PolarHBondContact O-N 2.95Å; A124-R127 VanDerWaalsContact O-N 3.12Å; A124-L206 HydrophobicContact CB-CD2 3.85Å; A124-H210 PolarHBondContact O-CD2 3.36Å
125	A	97.7	Very high	96.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61	-35.2	-179.9	0	0	0	0	0	112.5	G121 I122 R127 H128 Q129 C130 L133 V134	G121-A125 VanDerWaalsContact O-CB 3.31Å; G121-A125 WeakPolarHBondContact O-CB 3.23Å; G121-A125 PolarHBondContact O-N 2.78Å; I122-A125 PolarHBondContact O-N 3.32Å; A125-R127 VanDerWaalsContact C-N 3.3Å; A125-R127 PolarHBondContact O-N 3.09Å; A125-H128 PolarHBondContact O-N 3.49Å; A125-Q129 PolarHBondContact O-N 3.01Å; A125-C130 HydrophobicContact CB-CB 4.33Å; A125-C130 WeakPolarHBondContact O-CB 3.37Å; A125-C130 PolarHBondContact O-N 3.44Å; A125-L133 HydrophobicContact CB-CB 3.56Å; A125-L133 HydrophobicContact CB-CD1 4.27Å; A125-V134 HydrophobicContact CB-CG2 3.84Å
126	A	96.3	Very high	96.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-66.4	-29.5	178.7	0	0	0	0	0	112.7	I122 A124 H128 Q129 V134 V325 H328 F329	I122-A126 WeakPolarHBondContact O-CB 3.35Å; I122-A126 PolarHBondContact O-N 2.9Å; A124-A126 PolarHBondContact O-N 3.25Å; A126-H128 PolarHBondContact O-N 3.22Å; A126-H128 VanDerWaalsContact O-N 3.17Å; A126-Q129 WeakPolarHBondContact O-CA 3.49Å; A126-Q129 PolarHBondContact O-N 3.32Å; A126-V134 HydrophobicContact CB-CG2 4.03Å; A126-V325 HydrophobicContact CB-CB 4.38Å; A126-H328 HydrophobicContact CB-CB 4Å; A126-F329 VanDerWaalsContact C-CE1 3.48Å; A126-F329 HydrophobicContact CB-CD1 3.52Å; A126-F329 HydrophobicContact CB-CE1 3.83Å; A126-F329 WeakPolarHBondContact O-CE1 3.34Å; A126-F329 WeakPolarHBondContact O-CZ 3.46Å
127	R	95.7	Very high	95.9	Very high	10 Å²	10	9.1 Å²	9.1	4%	0.038	5%	0.048	C	C	.	.	H	α-helix	trans	-57.6	-29.7	174.4	-68.5	-51.5	-50.6	-177.8	8.4	113.3	M123 A124 A125 N168 K169 A172 H173 E330 Y334	M123-R127 PolarHBondContact O-N 3.41Å; A124-R127 WeakPolarHBondContact O-CB 3.38Å; A124-R127 PolarHBondContact O-N 2.95Å; A124-R127 VanDerWaalsContact O-N 3.12Å; A125-R127 VanDerWaalsContact C-N 3.3Å; A125-R127 PolarHBondContact O-N 3.09Å; R127-N168 WeakPolarHBondContact CG-OD1 3.43Å; R127-K169 VanDerWaalsContact CZ-CB 3.47Å; R127-A172 HydrophobicContact CB-CB 3.72Å; R127-A172 HydrophobicContact CG-CB 3.94Å; R127-H173 PolarHBondContact NE-NE2 3.47Å; R127-H173 PolarHBondContact NH2-CD2 3.21Å; R127-H173 VanDerWaalsContact NH2-CD2 3.34Å; R127-H173 PolarHBondContact NH2-NE2 3.46Å; R127-H173 VanDerWaalsContact NH2-NE2 3.11Å; R127-H173 PolarHBondContact O-CE1 3.31Å; R127-H173 VanDerWaalsContact O-CE1 3.28Å; R127-H173 PolarHBondContact O-NE2 3.47Å; R127-E330 PolarHBondContact NH1-O 3.27Å; R127-Y334 PolarHBondContact NH2-O 3.5Å
128	H	94.6	Very high	95.7	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	15.2	174.1	-71.2	-61.8	0	0	0	113.4	A125 A126 C130 A172 H173 A213 F217 P444 E445 R475	A125-H128 PolarHBondContact O-N 3.49Å; A126-H128 PolarHBondContact O-N 3.22Å; A126-H128 VanDerWaalsContact O-N 3.17Å; H128-C130 PolarHBondContact O-N 3.26Å; H128-A172 PolarHBondContact CE1-O 2.96Å; H128-A172 PolarHBondContact NE2-O 3.46Å; H128-H173 AromaticContact CE1-CE1 3.81Å; H128-H173 AromaticContact CE1-ND1 3.88Å; H128-A213 HydrophobicContact CB-CB 3.79Å; H128-F217 WeakPolarHBondContact O-CE2 3.38Å; H128-P444 HydrophobicContact CB-CG 3.91Å; H128-P444 WeakPolarHBondContact ND1-CD 3.34Å; H128-P444 WeakPolarHBondContact ND1-CG 3Å; H128-E445 IonicContact ND1-OE2 2.81Å; H128-R475 PolarHBondContact CE1-NH1 3.37Å; H128-R475 PolarHBondContact CE1-NH2 2.77Å; H128-R475 VanDerWaalsContact CE1-NH2 3.33Å; H128-R475 PolarHBondContact NE2-NH1 2.96Å; H128-R475 PolarHBondContact NE2-NH2 2.88Å
129	Q	93	Very high	95.3	Very high	37 Å²	37	12.9 Å²	12.9	17%	0.173	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	32.2	-178.6	-52.1	-173.7	48	0	0	113.3	A125 A126 S131 R323 V325	A125-Q129 PolarHBondContact O-N 3.01Å; A126-Q129 WeakPolarHBondContact O-CA 3.49Å; A126-Q129 PolarHBondContact O-N 3.32Å; Q129-S131 PolarHBondContact O-N 2.81Å; Q129-R323 WeakPolarHBondContact O-CD 3.38Å; Q129-R323 PolarHBondContact O-NH1 3.5Å; Q129-V325 HydrophobicContact CB-CG2 4.3Å
130	C	94.8	Very high	95.1	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.014	8%	0.08	C	C	.	.			trans	-82.4	81.1	-176.7	-167.8	0	0	0	0	110.2	A125 H128 Y132 L133 V134 A213 F217	A125-C130 HydrophobicContact CB-CB 4.33Å; A125-C130 WeakPolarHBondContact O-CB 3.37Å; A125-C130 PolarHBondContact O-N 3.44Å; H128-C130 PolarHBondContact O-N 3.26Å; C130-Y132 PolarHBondContact O-N 2.87Å; C130-L133 HydrophobicContact CB-CB 4.46Å; C130-L133 PolarHBondContact O-N 3.37Å; C130-V134 WeakPolarHBondContact O-CG2 3.43Å; C130-V134 PolarHBondContact O-N 3.27Å; C130-A213 HydrophobicContact CB-CB 3.75Å; C130-F217 HydrophobicContact CB-CE2 3.84Å; C130-F217 HydrophobicContact CB-CZ 4.43Å
131	S	92	Very high	95	Very high	44 Å²	44	14.8 Å²	14.8	31%	0.308	8%	0.08	S	C	.	.	H	α-helix	trans	-59.1	-30.3	-179.4	57.7	0	0	0	0	113.5	Q129 N135	Q129-S131 PolarHBondContact O-N 2.81Å; S131-N135 VanDerWaalsContact O-CB 3.3Å; S131-N135 WeakPolarHBondContact O-CB 3.12Å; S131-N135 PolarHBondContact O-N 3.31Å; S131-N135 PolarHBondContact O-ND2 3.5Å
132	Y	93.3	Very high	94.9	Very high	17 Å²	17	18.2 Å²	18.2	7%	0.067	10%	0.098	C	C	.	.	H	α-helix	trans	-56.3	-60.2	174.2	177.1	-93.9	0	0	0	111.3	N83 I84 C130 V134 N135 L136 T216 I221 S222 E224	N83-Y132 HydrophobicContact CB-CE2 4.4Å; N83-Y132 PolarHBondContact N-OH 3.42Å; N83-Y132 VanDerWaalsContact N-OH 3.17Å; I84-Y132 HydrophobicContact CD1-CD1 4.11Å; I84-Y132 HydrophobicContact CD1-CE1 3.48Å; I84-Y132 VanDerWaalsContact CD1-CE1 3.48Å; I84-Y132 HydrophobicContact CG1-CD1 4.48Å; I84-Y132 HydrophobicContact CG1-CE1 3.61Å; I84-Y132 PolarHBondContact N-OH 3.3Å; C130-Y132 PolarHBondContact O-N 2.87Å; Y132-V134 PolarHBondContact O-N 3.15Å; Y132-N135 PolarHBondContact O-N 3.38Å; Y132-L136 HydrophobicContact CD1-CD1 4.16Å; Y132-L136 HydrophobicContact CD1-CG 4.49Å; Y132-L136 HydrophobicContact CE1-CD1 3.47Å; Y132-L136 VanDerWaalsContact CE1-CD1 3.47Å; Y132-L136 HydrophobicContact CE1-CG 4.13Å; Y132-L136 WeakPolarHBondContact O-CG 3.21Å; Y132-L136 PolarHBondContact O-N 3.44Å; Y132-L136 VanDerWaalsContact O-N 3.07Å; Y132-T216 HydrophobicContact CD1-CG2 3.7Å; Y132-T216 HydrophobicContact CG-CG2 3.93Å; Y132-I221 HydrophobicContact CD1-CG2 4.34Å; Y132-I221 HydrophobicContact CD2-CG2 4.06Å; Y132-I221 HydrophobicContact CE1-CG2 4.02Å; Y132-I221 HydrophobicContact CE2-CG2 3.71Å; Y132-I221 HydrophobicContact CG-CG2 4.36Å; Y132-S222 WeakPolarHBondContact CD2-O 3.38Å; Y132-S222 VanDerWaalsContact CE2-O 3.24Å; Y132-S222 WeakPolarHBondContact CE2-O 3.36Å; Y132-E224 HydrophobicContact CE2-CG 3.93Å; Y132-E224 VanDerWaalsContact CE2-OE1 3.3Å; Y132-E224 WeakPolarHBondContact CE2-OE1 3.35Å; Y132-E224 PolarHBondContact OH-OE1 3.41Å
133	L	95.3	Very high	94.7	Very high	2 Å²	2	26 Å²	26	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-65.4	-38.9	-179.2	-70.9	178.6	0	0	0	112.4	I84 A125 C130 N135 L136 H137 Y209 L212 A213	I84-L133 HydrophobicContact CD1-CD2 3.62Å; A125-L133 HydrophobicContact CB-CB 3.56Å; A125-L133 HydrophobicContact CB-CD1 4.27Å; C130-L133 HydrophobicContact CB-CB 4.46Å; C130-L133 PolarHBondContact O-N 3.37Å; L133-N135 VanDerWaalsContact C-N 3.31Å; L133-N135 PolarHBondContact O-N 2.96Å; L133-L136 HydrophobicContact CD2-CD1 4.25Å; L133-L136 PolarHBondContact O-N 3.05Å; L133-H137 PolarHBondContact O-CD2 3.22Å; L133-H137 PolarHBondContact O-N 2.82Å; L133-Y209 HydrophobicContact CD1-CD1 4.45Å; L133-L212 HydrophobicContact CD1-CB 3.99Å; L133-L212 HydrophobicContact CD1-CD2 4.33Å; L133-L212 HydrophobicContact CD1-CG 4.04Å; L133-L212 HydrophobicContact CD2-CD2 3.74Å; L133-L212 HydrophobicContact CD2-CG 4.06Å; L133-A213 HydrophobicContact CD1-CB 4.07Å
134	V	95	Very high	94.5	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.018	15%	0.148	C	C	.	.	H	α-helix	trans	-56.9	-47	174.8	169.3	0	0	0	0	110.5	I122 A125 A126 C130 Y132 L136 H137 V138 V325	I122-V134 HydrophobicContact CG2-CG1 4.1Å; A125-V134 HydrophobicContact CB-CG2 3.84Å; A126-V134 HydrophobicContact CB-CG2 4.03Å; C130-V134 WeakPolarHBondContact O-CG2 3.43Å; C130-V134 PolarHBondContact O-N 3.27Å; Y132-V134 PolarHBondContact O-N 3.15Å; V134-L136 PolarHBondContact O-N 3.19Å; V134-H137 PolarHBondContact O-N 3.49Å; V134-V138 HydrophobicContact CG1-CG2 4.18Å; V134-V138 WeakPolarHBondContact O-CB 3.24Å; V134-V138 VanDerWaalsContact O-CG2 3.25Å; V134-V138 WeakPolarHBondContact O-CG2 3.27Å; V134-V138 PolarHBondContact O-N 2.82Å; V134-V325 HydrophobicContact CB-CG1 3.9Å; V134-V325 HydrophobicContact CG1-CB 4.41Å; V134-V325 HydrophobicContact CG1-CG1 3.75Å; V134-V325 HydrophobicContact CG2-CB 4.2Å; V134-V325 HydrophobicContact CG2-CG1 3.98Å
135	N	91.9	Very high	94.5	Very high	42 Å²	42	31.4 Å²	31.4	23%	0.225	18%	0.18	C	C	.	.	H	α-helix	trans	-65.9	-38.2	179.7	-71.7	-17	0	0	0	112.6	S131 Y132 L133 V138 N139	S131-N135 VanDerWaalsContact O-CB 3.3Å; S131-N135 WeakPolarHBondContact O-CB 3.12Å; S131-N135 PolarHBondContact O-N 3.31Å; S131-N135 PolarHBondContact O-ND2 3.5Å; Y132-N135 PolarHBondContact O-N 3.38Å; L133-N135 VanDerWaalsContact C-N 3.31Å; L133-N135 PolarHBondContact O-N 2.96Å; N135-V138 PolarHBondContact O-N 3.14Å; N135-N139 PolarHBondContact O-N 3.5Å; N135-N139 PolarHBondContact O-ND2 3.35Å
136	L	91.7	Very high	94.5	Very high	11 Å²	11	31.7 Å²	31.7	6%	0.058	18%	0.183	C	C	.	.	H	α-helix	trans	-58.2	-49.8	173.7	-63.4	-172.1	0	0	0	110.7	D82 Y132 L133 V134 N139 D140 E224	D82-L136 HydrophobicContact CB-CD1 4.49Å; Y132-L136 HydrophobicContact CD1-CD1 4.16Å; Y132-L136 HydrophobicContact CD1-CG 4.49Å; Y132-L136 HydrophobicContact CE1-CD1 3.47Å; Y132-L136 VanDerWaalsContact CE1-CD1 3.47Å; Y132-L136 HydrophobicContact CE1-CG 4.13Å; Y132-L136 WeakPolarHBondContact O-CG 3.21Å; Y132-L136 PolarHBondContact O-N 3.44Å; Y132-L136 VanDerWaalsContact O-N 3.07Å; L133-L136 HydrophobicContact CD2-CD1 4.25Å; L133-L136 PolarHBondContact O-N 3.05Å; V134-L136 PolarHBondContact O-N 3.19Å; L136-N139 PolarHBondContact O-N 3.03Å; L136-D140 PolarHBondContact O-N 3.5Å; L136-E224 HydrophobicContact CD2-CG 3.72Å
137	H	94.9	Very high	94.5	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.028	20%	0.2	C	C	.	.	H	α-helix	trans	-72.7	-29	-178.6	-79.7	-77	0	0	0	114.2	H118 I122 L133 V134 N139 D140 F141 Y209	H118-H137 AromaticContact CG-ND1 3.92Å; H118-H137 AromaticContact ND1-CE1 3.92Å; H118-H137 AromaticContact ND1-ND1 3.28Å; H118-H137 PolarHBondContact ND1-ND1 3.31Å; I122-H137 HydrophobicContact CD1-CB 4.23Å; I122-H137 HydrophobicContact CG1-CB 3.47Å; I122-H137 VanDerWaalsContact CG1-CB 3.47Å; L133-H137 PolarHBondContact O-CD2 3.22Å; L133-H137 PolarHBondContact O-N 2.82Å; V134-H137 PolarHBondContact O-N 3.49Å; H137-N139 VanDerWaalsContact C-N 3.33Å; H137-D140 PolarHBondContact O-N 3.14Å; H137-F141 WeakPolarHBondContact O-CA 3.46Å; H137-F141 WeakPolarHBondContact O-CB 3.38Å; H137-F141 PolarHBondContact O-N 2.86Å; H137-Y209 AromaticContact CE1-CE1 3.77Å; H137-Y209 AromaticContact CE1-CE2 3.67Å; H137-Y209 AromaticContact CE1-CZ 3.28Å; H137-Y209 PolarHBondContact CE1-OH 3.21Å; H137-Y209 VanDerWaalsContact CE1-OH 3.23Å; H137-Y209 AromaticContact NE2-CD1 3.58Å; H137-Y209 AromaticContact NE2-CE1 3.02Å; H137-Y209 WeakPolarHBondContact NE2-CE1 3.37Å; H137-Y209 AromaticContact NE2-CE2 3.61Å; H137-Y209 AromaticContact NE2-CZ 3.03Å; H137-Y209 PolarHBondContact NE2-OH 3.26Å
138	V	94	Very high	94.6	Very high	27 Å²	27	38 Å²	38	16%	0.164	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-46.9	172.9	161.6	0	0	0	0	110.2	I122 V134 N135 L142 L151	I122-V138 HydrophobicContact CD1-CG2 3.81Å; I122-V138 HydrophobicContact CG1-CG2 4.39Å; V134-V138 HydrophobicContact CG1-CG2 4.18Å; V134-V138 WeakPolarHBondContact O-CB 3.24Å; V134-V138 VanDerWaalsContact O-CG2 3.25Å; V134-V138 WeakPolarHBondContact O-CG2 3.27Å; V134-V138 PolarHBondContact O-N 2.82Å; N135-V138 PolarHBondContact O-N 3.14Å; V138-L142 HydrophobicContact CG1-CD1 4.26Å; V138-L142 VanDerWaalsContact O-CG 3.3Å; V138-L142 WeakPolarHBondContact O-CG 3.47Å; V138-L142 PolarHBondContact O-N 3.39Å; V138-L142 VanDerWaalsContact O-N 3.12Å; V138-L151 HydrophobicContact CG1-CD1 3.85Å; V138-L151 HydrophobicContact CG2-CD1 4.42Å; V138-L151 HydrophobicContact CG2-CD2 4.09Å
139	N	91.1	Very high	94.7	Very high	68 Å²	68	44.6 Å²	44.6	36%	0.364	25%	0.25	S	S	.	.	H	α-helix	trans	-62.4	-47.2	178.2	-69.1	-24.2	0	0	0	111.2	N135 L136 H137 L142 H143	N135-N139 PolarHBondContact O-N 3.5Å; N135-N139 PolarHBondContact O-ND2 3.35Å; L136-N139 PolarHBondContact O-N 3.03Å; H137-N139 VanDerWaalsContact C-N 3.33Å; N139-L142 PolarHBondContact O-N 3.06Å; N139-H143 WeakPolarHBondContact O-CB 3.47Å; N139-H143 PolarHBondContact O-N 3.36Å
140	D	93.3	Very high	94.9	Very high	40 Å²	40	44 Å²	44	21%	0.214	25%	0.247	C	C	.	.	H	α-helix	trans	-69.6	-37.7	-177.7	-61.2	-22.5	0	0	0	111.9	R80 H118 L136 H137 L142 H143 V144	R80-D140 IonicContact NH2-OD1 2.93Å; R80-D140 PolarHBondContact NH2-OD1 3.02Å; R80-D140 IonicContact NH2-OD2 2.66Å; R80-D140 PolarHBondContact NH2-OD2 3.31Å; H118-D140 VanDerWaalsContact CE1-CB 3.42Å; H118-D140 WeakPolarHBondContact CE1-CB 3.46Å; H118-D140 WeakPolarHBondContact ND1-CB 3.43Å; L136-D140 PolarHBondContact O-N 3.5Å; H137-D140 PolarHBondContact O-N 3.14Å; D140-L142 PolarHBondContact O-N 3.03Å; D140-H143 WeakPolarHBondContact O-CB 3.47Å; D140-H143 PolarHBondContact O-N 3.1Å; D140-V144 WeakPolarHBondContact O-CG2 3.2Å; D140-V144 PolarHBondContact O-N 2.91Å
141	F	96.6	Very high	95	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.1	-47.2	173.6	171.5	-99.9	0	0	0	111.8	H115 H118 Y119 I122 H137 H143 V144 G146 D147 W150 L151	H115-F141 HydrophobicContact CB-CD2 4.03Å; H115-F141 HydrophobicContact CB-CE2 3.93Å; H115-F141 WeakPolarHBondContact O-CD2 3.24Å; H115-F141 WeakPolarHBondContact O-CE2 3.37Å; H118-F141 HydrophobicContact CB-CB 3.88Å; Y119-F141 HydrophobicContact CD2-CD2 4.48Å; Y119-F141 HydrophobicContact CD2-CE2 4.11Å; Y119-F141 HydrophobicContact CD2-CZ 4.31Å; Y119-F141 HydrophobicContact CG-CE2 4.47Å; I122-F141 HydrophobicContact CD1-CB 4.43Å; H137-F141 WeakPolarHBondContact O-CA 3.46Å; H137-F141 WeakPolarHBondContact O-CB 3.38Å; H137-F141 PolarHBondContact O-N 2.86Å; F141-H143 VanDerWaalsContact C-N 3.35Å; F141-V144 WeakPolarHBondContact O-CG2 3.3Å; F141-V144 PolarHBondContact O-N 3.11Å; F141-G146 VanDerWaalsContact CE1-C 3.46Å; F141-G146 WeakPolarHBondContact O-CA 3.5Å; F141-G146 PolarHBondContact O-N 3.45Å; F141-D147 VanDerWaalsContact CE1-O 3.31Å; F141-D147 WeakPolarHBondContact CE1-O 3.35Å; F141-W150 HydrophobicContact CE2-CD2 4.4Å; F141-W150 AromaticContact CE2-CE3 3.65Å; F141-W150 HydrophobicContact CE2-CE3 3.65Å; F141-W150 AromaticContact CE2-CZ3 3.94Å; F141-W150 HydrophobicContact CE2-CZ3 3.94Å; F141-W150 HydrophobicContact CZ-CB 4.18Å; F141-W150 AromaticContact CZ-CD2 3.9Å; F141-W150 HydrophobicContact CZ-CD2 3.9Å; F141-W150 AromaticContact CZ-CE3 3.6Å; F141-W150 HydrophobicContact CZ-CE3 3.6Å; F141-W150 HydrophobicContact CZ-CG 4.21Å; F141-W150 HydrophobicContact CZ-CZ3 4.25Å; F141-L151 HydrophobicContact CD1-CD1 4.15Å; F141-L151 HydrophobicContact CD1-CD2 3.95Å; F141-L151 HydrophobicContact CD1-CG 4.16Å; F141-L151 HydrophobicContact CE1-CD1 4.39Å; F141-L151 HydrophobicContact CE1-CD2 4.08Å; F141-L151 HydrophobicContact CE1-CG 4.06Å
142	L	96.3	Very high	95	Very high	73 Å²	73	47.7 Å²	47.7	38%	0.382	26%	0.263	S	S	.	.	H	α-helix	trans	-66.6	-39	176.8	-67.6	173.6	0	0	0	111.4	V138 N139 D140 V144 G145 P148 L151	V138-L142 HydrophobicContact CG1-CD1 4.26Å; V138-L142 VanDerWaalsContact O-CG 3.3Å; V138-L142 WeakPolarHBondContact O-CG 3.47Å; V138-L142 PolarHBondContact O-N 3.39Å; V138-L142 VanDerWaalsContact O-N 3.12Å; N139-L142 PolarHBondContact O-N 3.06Å; D140-L142 PolarHBondContact O-N 3.03Å; L142-V144 VanDerWaalsContact C-N 3.33Å; L142-V144 PolarHBondContact O-N 2.89Å; L142-G145 PolarHBondContact O-N 3.19Å; L142-G145 VanDerWaalsContact O-N 3.11Å; L142-P148 HydrophobicContact CD2-CB 4.05Å; L142-P148 HydrophobicContact CD2-CG 3.76Å; L142-L151 HydrophobicContact CD1-CD1 4.27Å; L142-L151 HydrophobicContact CD2-CD1 4.03Å; L142-L151 HydrophobicContact CG-CD1 4.14Å
143	H	93.6	Very high	94.9	Very high	164 Å²	164	47 Å²	47	76%	0.759	26%	0.26	S	S	*	.	H	α-helix	trans	-60.8	-40.8	178.3	-174.8	77.5	0	0	0	112.5	N139 D140 F141 G145	N139-H143 WeakPolarHBondContact O-CB 3.47Å; N139-H143 PolarHBondContact O-N 3.36Å; D140-H143 WeakPolarHBondContact O-CB 3.47Å; D140-H143 PolarHBondContact O-N 3.1Å; F141-H143 VanDerWaalsContact C-N 3.35Å; H143-G145 PolarHBondContact O-N 3.38Å
144	V	95.6	Very high	94.8	Very high	48 Å²	48	47.4 Å²	47.4	29%	0.291	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	12.8	177.3	-56.4	0	0	0	0	113.8	L114 H115 D140 F141 L142	L114-V144 HydrophobicContact CB-CB 4.1Å; L114-V144 HydrophobicContact CB-CG1 4.23Å; L114-V144 HydrophobicContact CB-CG2 4.09Å; L114-V144 HydrophobicContact CD1-CG1 4.32Å; H115-V144 HydrophobicContact CB-CG2 3.91Å; D140-V144 WeakPolarHBondContact O-CG2 3.2Å; D140-V144 PolarHBondContact O-N 2.91Å; F141-V144 WeakPolarHBondContact O-CG2 3.3Å; F141-V144 PolarHBondContact O-N 3.11Å; L142-V144 VanDerWaalsContact C-N 3.33Å; L142-V144 PolarHBondContact O-N 2.89Å
145	G	96.9	Very high	94.8	Very high	65 Å²	65	53.1 Å²	53.1	67%	0.67	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	22.1	174.5	0	0	0	0	0	115.2	L142 H143	L142-G145 PolarHBondContact O-N 3.19Å; L142-G145 VanDerWaalsContact O-N 3.11Å; H143-G145 PolarHBondContact O-N 3.38Å
146	G	97.8	Very high	95	Very high	6 Å²	6	54.5 Å²	54.5	6%	0.062	30%	0.296	C	S	.	.			trans	-62.2	143.8	172.5	0	0	0	0	0	112.6	F141 P148	F141-G146 VanDerWaalsContact CE1-C 3.46Å; F141-G146 WeakPolarHBondContact O-CA 3.5Å; F141-G146 PolarHBondContact O-N 3.45Å; G146-P148 VanDerWaalsContact O-CD 3.29Å; G146-P148 WeakPolarHBondContact O-CD 3.03Å
147	D	98.1	Very high	95.3	Very high	66 Å²	66	54.3 Å²	54.3	35%	0.353	30%	0.296	S	S	.	.			trans	-70	116.9	179.4	-177.9	-9	0	0	0	110.6	F141 K149 W150	F141-D147 VanDerWaalsContact CE1-O 3.31Å; F141-D147 WeakPolarHBondContact CE1-O 3.35Å; D147-K149 PolarHBondContact O-N 3.04Å; D147-K149 WeakPolarHBondContact OD1-CB 3.34Å; D147-K149 WeakPolarHBondContact OD1-CG 3.39Å; D147-K149 PolarHBondContact OD1-N 3.17Å; D147-W150 HydrophobicContact CB-CG 4.41Å; D147-W150 PolarHBondContact O-N 2.66Å; D147-W150 VanDerWaalsContact O-N 3.08Å
148	P	97.1	Very high	95.4	Very high	78 Å²	78	55.6 Å²	55.6	51%	0.506	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-55.9	-22.5	180	-23.3	32.3	0	0	0	114	L142 G146 W150 L151	L142-P148 HydrophobicContact CD2-CB 4.05Å; L142-P148 HydrophobicContact CD2-CG 3.76Å; G146-P148 VanDerWaalsContact O-CD 3.29Å; G146-P148 WeakPolarHBondContact O-CD 3.03Å; P148-W150 PolarHBondContact O-N 2.71Å; P148-L151 WeakPolarHBondContact O-CB 3.48Å; P148-L151 PolarHBondContact O-N 2.85Å
149	K	97.1	Very high	95.5	Very high	137 Å²	137	58.2 Å²	58.2	60%	0.596	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-60.2	-33.6	178.2	-68.8	176.5	-177.2	174.4	0	112.7	D147 L151 N152 N156	D147-K149 PolarHBondContact O-N 3.04Å; D147-K149 WeakPolarHBondContact OD1-CB 3.34Å; D147-K149 WeakPolarHBondContact OD1-CG 3.39Å; D147-K149 PolarHBondContact OD1-N 3.17Å; K149-L151 PolarHBondContact O-N 2.99Å; K149-L151 VanDerWaalsContact O-N 3.17Å; K149-N152 WeakPolarHBondContact O-CB 3.33Å; K149-N152 PolarHBondContact O-N 2.79Å; K149-N152 VanDerWaalsContact O-N 3.09Å; K149-N156 WeakPolarHBondContact O-CB 3.5Å
150	W	97.3	Very high	95.9	Very high	26 Å²	26	56.5 Å²	56.5	10%	0.098	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-64.7	-22.2	-178.3	-57.8	6.7	0	0	0	112.2	H115 Y116 Y119 F141 D147 P148 N152 A157 P158 L161	H115-W150 AromaticContact CD2-CH2 3.54Å; H115-W150 AromaticContact CD2-CZ3 3.91Å; H115-W150 AromaticContact NE2-CH2 3.98Å; Y116-W150 AromaticContact CD2-CH2 3.98Å; Y116-W150 HydrophobicContact CD2-CH2 3.98Å; Y116-W150 HydrophobicContact CD2-CZ3 4.19Å; Y116-W150 AromaticContact CE2-CH2 3.55Å; Y116-W150 HydrophobicContact CE2-CH2 3.55Å; Y116-W150 HydrophobicContact CE2-CZ3 4.16Å; Y119-W150 HydrophobicContact CD1-CE3 4.43Å; Y119-W150 HydrophobicContact CD2-CB 4.1Å; Y119-W150 AromaticContact CD2-CE3 3.9Å; Y119-W150 HydrophobicContact CD2-CE3 3.9Å; Y119-W150 HydrophobicContact CE2-CB 3.55Å; Y119-W150 HydrophobicContact CE2-CE3 4.33Å; Y119-W150 WeakPolarHBondContact CE2-O 3.25Å; Y119-W150 AromaticContact CG-CE3 3.96Å; Y119-W150 HydrophobicContact CG-CE3 3.96Å; Y119-W150 HydrophobicContact CG-CZ3 4.49Å; Y119-W150 PolarHBondContact OH-O 3.47Å; F141-W150 HydrophobicContact CE2-CD2 4.4Å; F141-W150 AromaticContact CE2-CE3 3.65Å; F141-W150 HydrophobicContact CE2-CE3 3.65Å; F141-W150 AromaticContact CE2-CZ3 3.94Å; F141-W150 HydrophobicContact CE2-CZ3 3.94Å; F141-W150 HydrophobicContact CZ-CB 4.18Å; F141-W150 AromaticContact CZ-CD2 3.9Å; F141-W150 HydrophobicContact CZ-CD2 3.9Å; F141-W150 AromaticContact CZ-CE3 3.6Å; F141-W150 HydrophobicContact CZ-CE3 3.6Å; F141-W150 HydrophobicContact CZ-CG 4.21Å; F141-W150 HydrophobicContact CZ-CZ3 4.25Å; D147-W150 HydrophobicContact CB-CG 4.41Å; D147-W150 PolarHBondContact O-N 2.66Å; D147-W150 VanDerWaalsContact O-N 3.08Å; P148-W150 PolarHBondContact O-N 2.71Å; W150-N152 VanDerWaalsContact C-N 3.27Å; W150-N152 PolarHBondContact O-N 2.85Å; W150-A157 HydrophobicContact CB-CB 4.35Å; W150-A157 HydrophobicContact CD2-CB 4.49Å; W150-A157 HydrophobicContact CG-CB 4.35Å; W150-P158 HydrophobicContact CD2-CG 4.38Å; W150-P158 HydrophobicContact CH2-CG 3.45Å; W150-P158 VanDerWaalsContact CH2-CG 3.45Å; W150-P158 HydrophobicContact CZ2-CG 3.22Å; W150-P158 HydrophobicContact CZ3-CG 4.12Å; W150-L161 HydrophobicContact CE3-CD1 4.08Å; W150-L161 HydrophobicContact CH2-CD1 4.21Å; W150-L161 HydrophobicContact CZ3-CD1 3.53Å
151	L	95.2	Very high	96.1	Very high	21 Å²	21	54.6 Å²	54.6	11%	0.11	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-79.6	-9	179.7	-55.4	-179.6	0	0	0	112.9	Y119 I122 V138 F141 L142 P148 K149 G153 R327 H328	Y119-L151 HydrophobicContact CD2-CD2 4.46Å; Y119-L151 HydrophobicContact CE2-CD2 4.34Å; I122-L151 HydrophobicContact CD1-CD2 3.69Å; V138-L151 HydrophobicContact CG1-CD1 3.85Å; V138-L151 HydrophobicContact CG2-CD1 4.42Å; V138-L151 HydrophobicContact CG2-CD2 4.09Å; F141-L151 HydrophobicContact CD1-CD1 4.15Å; F141-L151 HydrophobicContact CD1-CD2 3.95Å; F141-L151 HydrophobicContact CD1-CG 4.16Å; F141-L151 HydrophobicContact CE1-CD1 4.39Å; F141-L151 HydrophobicContact CE1-CD2 4.08Å; F141-L151 HydrophobicContact CE1-CG 4.06Å; L142-L151 HydrophobicContact CD1-CD1 4.27Å; L142-L151 HydrophobicContact CD2-CD1 4.03Å; L142-L151 HydrophobicContact CG-CD1 4.14Å; P148-L151 WeakPolarHBondContact O-CB 3.48Å; P148-L151 PolarHBondContact O-N 2.85Å; K149-L151 PolarHBondContact O-N 2.99Å; K149-L151 VanDerWaalsContact O-N 3.17Å; L151-G153 VanDerWaalsContact C-N 3.32Å; L151-R327 WeakPolarHBondContact O-CD 3.28Å; L151-H328 PolarHBondContact O-CE1 3Å
152	N	92.6	Very high	96.1	Very high	102 Å²	102	56.7 Å²	56.7	55%	0.545	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-84.6	-6.5	178.5	-65.5	-45.9	0	0	0	113.7	K149 W150	K149-N152 WeakPolarHBondContact O-CB 3.33Å; K149-N152 PolarHBondContact O-N 2.79Å; K149-N152 VanDerWaalsContact O-N 3.09Å; W150-N152 VanDerWaalsContact C-N 3.27Å; W150-N152 PolarHBondContact O-N 2.85Å
153	G	91.6	Very high	96.1	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.01	30%	0.3	C	S	.	.			trans	156.3	152.3	178.6	0	0	0	0	0	110.9	L151 E155 N156 R327	L151-G153 VanDerWaalsContact C-N 3.32Å; G153-E155 VanDerWaalsContact C-OE2 3.27Å; G153-E155 WeakPolarHBondContact CA-OE2 3.48Å; G153-E155 PolarHBondContact O-N 3.35Å; G153-N156 PolarHBondContact N-ND2 3.12Å; G153-N156 WeakPolarHBondContact O-CB 3.42Å; G153-N156 PolarHBondContact O-N 3.45Å; G153-R327 CarbonylContact C-O 3.58Å; G153-R327 WeakPolarHBondContact CA-O 3.36Å
154	L	93.4	Very high	96.3	Very high	11 Å²	11	47.9 Å²	47.9	6%	0.058	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-55.1	-35.4	179.5	-179.5	62.6	0	0	0	112	Y119 M123 N156 A157 Q162 R327 E330	Y119-L154 HydrophobicContact CE1-CD1 4.42Å; M123-L154 HydrophobicContact CE-CD1 4.04Å; M123-L154 HydrophobicContact SD-CD1 4.33Å; L154-N156 PolarHBondContact O-N 2.92Å; L154-N156 VanDerWaalsContact O-N 3.16Å; L154-A157 VanDerWaalsContact O-CB 3.31Å; L154-A157 WeakPolarHBondContact O-CB 3.46Å; L154-A157 PolarHBondContact O-N 3.28Å; L154-Q162 HydrophobicContact CD1-CG 4.35Å; L154-Q162 HydrophobicContact CG-CG 4.26Å; L154-Q162 VanDerWaalsContact O-CG 3.3Å; L154-Q162 WeakPolarHBondContact O-CG 3.41Å; L154-R327 PolarHBondContact N-O 2.98Å; L154-E330 HydrophobicContact CD2-CB 4.3Å
155	E	95	Very high	96.4	Very high	124 Å²	124	45.8 Å²	45.8	58%	0.579	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-62.8	-19.5	178.3	72.2	-72.2	170.1	0	0	113.9	G153 Q162	G153-E155 VanDerWaalsContact C-OE2 3.27Å; G153-E155 WeakPolarHBondContact CA-OE2 3.48Å; G153-E155 PolarHBondContact O-N 3.35Å; E155-Q162 PolarHBondContact O-NE2 2.86Å; E155-Q162 VanDerWaalsContact O-NE2 3.13Å
156	N	96.6	Very high	96.4	Very high	70 Å²	70	46.5 Å²	46.5	37%	0.374	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-90.2	-7.5	177.1	-59.2	-69.1	0	0	0	112.8	K149 G153 L154	K149-N156 WeakPolarHBondContact O-CB 3.5Å; G153-N156 PolarHBondContact N-ND2 3.12Å; G153-N156 WeakPolarHBondContact O-CB 3.42Å; G153-N156 PolarHBondContact O-N 3.45Å; L154-N156 PolarHBondContact O-N 2.92Å; L154-N156 VanDerWaalsContact O-N 3.16Å
157	A	97	Very high	96.5	Very high	7 Å²	7	46.3 Å²	46.3	6%	0.058	24%	0.235	C	C	.	.	S	Bend	trans	-80.6	162.2	173.3	0	0	0	0	0	111.2	Y119 W150 L154 L161 Q162	Y119-A157 HydrophobicContact CE1-CB 3.65Å; Y119-A157 WeakPolarHBondContact OH-CB 3.29Å; W150-A157 HydrophobicContact CB-CB 4.35Å; W150-A157 HydrophobicContact CD2-CB 4.49Å; W150-A157 HydrophobicContact CG-CB 4.35Å; L154-A157 VanDerWaalsContact O-CB 3.31Å; L154-A157 WeakPolarHBondContact O-CB 3.46Å; L154-A157 PolarHBondContact O-N 3.28Å; A157-L161 HydrophobicContact CB-CB 4.49Å; A157-Q162 PolarHBondContact O-NE2 3.46Å
158	P	97.3	Very high	96.5	Very high	33 Å²	33	43.2 Å²	43.2	21%	0.214	22%	0.219	C	C	.	.			trans	-56.2	142	173.1	-24.7	33.1	0	0	0	111.7	W150 K160 L161 Q162	W150-P158 HydrophobicContact CD2-CG 4.38Å; W150-P158 HydrophobicContact CH2-CG 3.45Å; W150-P158 VanDerWaalsContact CH2-CG 3.45Å; W150-P158 HydrophobicContact CZ2-CG 3.22Å; W150-P158 HydrophobicContact CZ3-CG 4.12Å; P158-K160 PolarHBondContact O-N 3.15Å; P158-L161 HydrophobicContact CG-CD1 4.37Å; P158-L161 PolarHBondContact O-N 3.49Å; P158-Q162 PolarHBondContact O-N 2.6Å; P158-Q162 VanDerWaalsContact O-N 3.08Å
159	Q	97	Very high	96.5	Very high	82 Å²	82	40.3 Å²	40.3	38%	0.383	20%	0.198	S	C	.	.	H	α-helix	trans	-54.3	-33	-179.9	-171.5	62.4	55.4	0	0	112.8	L161 Q162 N163 H192	Q159-L161 VanDerWaalsContact C-N 3.31Å; Q159-L161 PolarHBondContact O-N 3.11Å; Q159-Q162 PolarHBondContact O-N 3.33Å; Q159-N163 PolarHBondContact NE2-OD1 3.35Å; Q159-N163 WeakPolarHBondContact O-CB 3.45Å; Q159-N163 PolarHBondContact O-N 2.97Å; Q159-N163 PolarHBondContact O-ND2 2.83Å; Q159-N163 PolarHBondContact O-OD1 3.19Å; Q159-H192 VanDerWaalsContact CB-CD2 3.42Å; Q159-H192 WeakPolarHBondContact CB-CD2 3.4Å; Q159-H192 WeakPolarHBondContact CG-CD2 3.26Å
160	K	97.6	Very high	96.5	Very high	32 Å²	32	33.9 Å²	33.9	14%	0.139	17%	0.17	C	C	.	.	H	α-helix	trans	-55.4	-43.2	173.7	-174.4	169.3	-175	169.4	0	112.6	P158 H192 S193 W194 E198	P158-K160 PolarHBondContact O-N 3.15Å; K160-H192 HydrophobicContact CB-CB 4.17Å; K160-S193 WeakPolarHBondContact CE-O 3.14Å; K160-S193 PolarHBondContact NZ-O 2.83Å; K160-S193 VanDerWaalsContact NZ-O 3.15Å; K160-W194 HydrophobicContact CG-CD2 4.33Å; K160-W194 HydrophobicContact CG-CZ2 3.96Å; K160-W194 WeakPolarHBondContact O-CZ2 3.33Å; K160-W194 PolarHBondContact O-NE1 3Å; K160-E198 IonicContact NZ-OE1 3.51Å; K160-E198 PolarHBondContact NZ-OE1 2.9Å; K160-E198 IonicContact NZ-OE2 2.65Å; K160-E198 PolarHBondContact NZ-OE2 3.34Å
161	L	98	Very high	96.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-76.5	-36.9	177	-74.2	168.4	0	0	0	111.7	Y116 Y119 I120 M123 W150 A157 P158 Q159 N163 L164 W194	Y116-L161 HydrophobicContact CD1-CD1 3.8Å; Y116-L161 HydrophobicContact CD1-CD2 3.74Å; Y116-L161 HydrophobicContact CD1-CG 3.78Å; Y116-L161 HydrophobicContact CD2-CD1 4.37Å; Y116-L161 HydrophobicContact CE1-CD1 3.85Å; Y116-L161 HydrophobicContact CE1-CD2 4.22Å; Y116-L161 HydrophobicContact CE1-CG 3.78Å; Y116-L161 HydrophobicContact CE2-CD1 4.45Å; Y116-L161 HydrophobicContact CG-CD1 4.05Å; Y116-L161 HydrophobicContact CG-CD2 4.4Å; Y116-L161 HydrophobicContact CG-CG 4.49Å; Y119-L161 HydrophobicContact CD1-CB 4.49Å; Y119-L161 HydrophobicContact CD1-CD1 3.79Å; Y119-L161 HydrophobicContact CE1-CD1 4.44Å; Y119-L161 HydrophobicContact CG-CD1 4.36Å; I120-L161 HydrophobicContact CD1-CD2 4.07Å; I120-L161 HydrophobicContact CG1-CD2 3.7Å; M123-L161 WeakPolarHBondContact CE-O 3.47Å; W150-L161 HydrophobicContact CE3-CD1 4.08Å; W150-L161 HydrophobicContact CH2-CD1 4.21Å; W150-L161 HydrophobicContact CZ3-CD1 3.53Å; A157-L161 HydrophobicContact CB-CB 4.49Å; P158-L161 HydrophobicContact CG-CD1 4.37Å; P158-L161 PolarHBondContact O-N 3.49Å; Q159-L161 VanDerWaalsContact C-N 3.31Å; Q159-L161 PolarHBondContact O-N 3.11Å; L161-N163 VanDerWaalsContact C-N 3.29Å; L161-N163 PolarHBondContact O-N 3.43Å; L161-L164 VanDerWaalsContact O-CB 3.27Å; L161-L164 WeakPolarHBondContact O-CB 3.18Å; L161-L164 PolarHBondContact O-N 3.47Å; L161-L164 VanDerWaalsContact O-N 3.1Å; L161-W194 HydrophobicContact CD2-CH2 4.19Å; L161-W194 HydrophobicContact CD2-CZ2 4.26Å
162	Q	97.4	Very high	96.7	Very high	45 Å²	45	31.8 Å²	31.8	21%	0.21	16%	0.162	C	C	.	.	H	α-helix	trans	-58.2	-43	173.4	-61.1	-173.4	38.7	0	0	111.6	L154 E155 A157 P158 Q159 L164 G165	L154-Q162 HydrophobicContact CD1-CG 4.35Å; L154-Q162 HydrophobicContact CG-CG 4.26Å; L154-Q162 VanDerWaalsContact O-CG 3.3Å; L154-Q162 WeakPolarHBondContact O-CG 3.41Å; E155-Q162 PolarHBondContact O-NE2 2.86Å; E155-Q162 VanDerWaalsContact O-NE2 3.13Å; A157-Q162 PolarHBondContact O-NE2 3.46Å; P158-Q162 PolarHBondContact O-N 2.6Å; P158-Q162 VanDerWaalsContact O-N 3.08Å; Q159-Q162 PolarHBondContact O-N 3.33Å; Q162-L164 PolarHBondContact O-N 2.92Å; Q162-L164 VanDerWaalsContact O-N 3.11Å; Q162-G165 PolarHBondContact O-N 2.96Å
163	N	96.9	Very high	96.9	Very high	51 Å²	51	27.3 Å²	27.3	27%	0.273	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.7	178	-67.6	-9.7	0	0	0	113	Q159 L161 G165 L186	Q159-N163 PolarHBondContact NE2-OD1 3.35Å; Q159-N163 WeakPolarHBondContact O-CB 3.45Å; Q159-N163 PolarHBondContact O-N 2.97Å; Q159-N163 PolarHBondContact O-ND2 2.83Å; Q159-N163 PolarHBondContact O-OD1 3.19Å; L161-N163 VanDerWaalsContact C-N 3.29Å; L161-N163 PolarHBondContact O-N 3.43Å; N163-G165 PolarHBondContact O-N 3.26Å; N163-L186 HydrophobicContact CB-CD2 4.05Å; N163-L186 VanDerWaalsContact O-CD2 3.26Å; N163-L186 WeakPolarHBondContact O-CD2 2.95Å
164	L	98	Very high	97.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-16.1	176.6	-169.5	65.7	0	0	0	112.7	I120 M123 L161 Q162 E166 L167 N168 L186 W194 L199 A202 L206	I120-L164 HydrophobicContact CD1-CD2 4.25Å; I120-L164 HydrophobicContact CG1-CD2 4Å; I120-L164 HydrophobicContact CG2-CD2 4.38Å; M123-L164 HydrophobicContact CE-CB 4.35Å; L161-L164 VanDerWaalsContact O-CB 3.27Å; L161-L164 WeakPolarHBondContact O-CB 3.18Å; L161-L164 PolarHBondContact O-N 3.47Å; L161-L164 VanDerWaalsContact O-N 3.1Å; Q162-L164 PolarHBondContact O-N 2.92Å; Q162-L164 VanDerWaalsContact O-N 3.11Å; L164-E166 VanDerWaalsContact C-N 3.34Å; L164-E166 PolarHBondContact O-N 3.3Å; L164-L167 HydrophobicContact CD1-CB 4.46Å; L164-L167 HydrophobicContact CD1-CD2 4.21Å; L164-L167 PolarHBondContact O-N 2.81Å; L164-N168 WeakPolarHBondContact O-CB 3.33Å; L164-N168 PolarHBondContact O-N 2.87Å; L164-L186 HydrophobicContact CD1-CD1 4.18Å; L164-W194 HydrophobicContact CB-CZ2 4.05Å; L164-W194 HydrophobicContact CD1-CZ2 4.39Å; L164-W194 HydrophobicContact CD2-CH2 3.99Å; L164-W194 HydrophobicContact CD2-CZ2 4.08Å; L164-W194 HydrophobicContact CG-CZ2 4.41Å; L164-L199 HydrophobicContact CD1-CD1 4.34Å; L164-A202 HydrophobicContact CD1-CB 4.32Å; L164-A202 HydrophobicContact CD2-CB 4Å; L164-L206 HydrophobicContact CD1-CD1 4.17Å; L164-L206 HydrophobicContact CD2-CD1 4.17Å; L164-L206 HydrophobicContact CG-CD1 4.14Å
165	G	97	Very high	97.3	Very high	4 Å²	4	28.2 Å²	28.2	4%	0.041	14%	0.14	C	C	.	.	H	α-helix	trans	-54.3	-43.3	-176.7	0	0	0	0	0	114.2	Q162 N163 N168 K169	Q162-G165 PolarHBondContact O-N 2.96Å; N163-G165 PolarHBondContact O-N 3.26Å; G165-N168 WeakPolarHBondContact O-CB 3.49Å; G165-N168 PolarHBondContact O-N 2.9Å; G165-K169 PolarHBondContact O-N 3.05Å
166	E	97.2	Very high	97.4	Very high	80 Å²	80	23.1 Å²	23.1	37%	0.374	12%	0.115	S	C	.	.	H	α-helix	trans	-62.8	-47.8	178.4	-175.3	65.7	-138.3	0	0	111.5	L164 N168 K169 V170 E330	L164-E166 VanDerWaalsContact C-N 3.34Å; L164-E166 PolarHBondContact O-N 3.3Å; E166-N168 PolarHBondContact O-N 3.37Å; E166-K169 VanDerWaalsContact CD-NZ 3.27Å; E166-K169 WeakPolarHBondContact O-CG 3.2Å; E166-K169 WeakPolarHBondContact OE1-CE 3.39Å; E166-K169 IonicContact OE1-NZ 3.87Å; E166-K169 PolarHBondContact OE1-NZ 3.3Å; E166-K169 WeakPolarHBondContact OE2-CE 3.28Å; E166-K169 IonicContact OE2-NZ 2.7Å; E166-K169 PolarHBondContact OE2-NZ 2.63Å; E166-V170 VanDerWaalsContact O-CG2 3.28Å; E166-V170 WeakPolarHBondContact O-CG2 3.2Å; E166-V170 PolarHBondContact O-N 2.88Å; E166-E330 PolarHBondContact N-OE1 2.65Å
167	L	98.4	Very high	97.3	Very high	2 Å²	2	22 Å²	22	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-65.9	-41.1	178.2	-179.3	61.5	0	0	0	111.2	L164 V170 L171 I178 L186 L199 V203	L164-L167 HydrophobicContact CD1-CB 4.46Å; L164-L167 HydrophobicContact CD1-CD2 4.21Å; L164-L167 PolarHBondContact O-N 2.81Å; L167-V170 PolarHBondContact O-N 3.48Å; L167-L171 HydrophobicContact CD1-CD1 4.08Å; L167-L171 HydrophobicContact CD1-CG 4.17Å; L167-L171 HydrophobicContact CD2-CD1 4.4Å; L167-L171 HydrophobicContact CG-CD1 3.83Å; L167-L171 HydrophobicContact CG-CG 4.37Å; L167-L171 WeakPolarHBondContact O-CB 3.22Å; L167-L171 WeakPolarHBondContact O-CG 3.41Å; L167-L171 PolarHBondContact O-N 3.35Å; L167-I178 HydrophobicContact CD1-CD1 4.13Å; L167-I178 HydrophobicContact CD1-CG1 4.28Å; L167-I178 HydrophobicContact CD1-CG2 4.15Å; L167-L186 HydrophobicContact CB-CD1 4.1Å; L167-L186 HydrophobicContact CD2-CD1 3.63Å; L167-L186 HydrophobicContact CG-CD1 4.5Å; L167-L199 HydrophobicContact CD2-CD1 3.87Å; L167-V203 HydrophobicContact CD2-CG2 4.03Å
168	N	98.5	Very high	97.3	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.011	11%	0.108	C	C	.	.	H	α-helix	trans	-56.8	-52.9	177.9	179.4	24.2	0	0	0	111.9	M123 R127 L164 G165 E166 V170 L171 A172 L206 H210	M123-N168 PolarHBondContact O-ND2 3Å; M123-N168 VanDerWaalsContact O-ND2 3.1Å; R127-N168 WeakPolarHBondContact CG-OD1 3.43Å; L164-N168 WeakPolarHBondContact O-CB 3.33Å; L164-N168 PolarHBondContact O-N 2.87Å; G165-N168 WeakPolarHBondContact O-CB 3.49Å; G165-N168 PolarHBondContact O-N 2.9Å; E166-N168 PolarHBondContact O-N 3.37Å; N168-V170 VanDerWaalsContact C-N 3.32Å; N168-V170 PolarHBondContact O-N 3.14Å; N168-L171 PolarHBondContact O-N 2.88Å; N168-A172 WeakPolarHBondContact O-CB 3.33Å; N168-A172 PolarHBondContact O-N 3.49Å; N168-L206 HydrophobicContact CB-CD1 4.15Å; N168-L206 HydrophobicContact CB-CD2 4.02Å; N168-L206 WeakPolarHBondContact OD1-CD2 3.11Å; N168-H210 PolarHBondContact OD1-CE1 3.3Å; N168-H210 PolarHBondContact OD1-NE2 2.84Å
169	K	97.6	Very high	97.3	Very high	17 Å²	17	23.1 Å²	23.1	7%	0.074	11%	0.114	C	C	.	.	H	α-helix	trans	-64.6	-35.9	-178.6	76	-177.4	-179.4	-160.1	0	112.7	R127 G165 E166 H173 D331 Y334	R127-K169 VanDerWaalsContact CZ-CB 3.47Å; G165-K169 PolarHBondContact O-N 3.05Å; E166-K169 VanDerWaalsContact CD-NZ 3.27Å; E166-K169 WeakPolarHBondContact O-CG 3.2Å; E166-K169 WeakPolarHBondContact OE1-CE 3.39Å; E166-K169 IonicContact OE1-NZ 3.87Å; E166-K169 PolarHBondContact OE1-NZ 3.3Å; E166-K169 WeakPolarHBondContact OE2-CE 3.28Å; E166-K169 IonicContact OE2-NZ 2.7Å; E166-K169 PolarHBondContact OE2-NZ 2.63Å; K169-H173 PolarHBondContact O-CD2 3.43Å; K169-H173 VanDerWaalsContact O-CD2 3.3Å; K169-D331 HydrophobicContact CD-CB 4.34Å; K169-Y334 HydrophobicContact CB-CD1 4.38Å; K169-Y334 HydrophobicContact CD-CD2 4.26Å; K169-Y334 HydrophobicContact CD-CG 4.31Å; K169-Y334 HydrophobicContact CG-CD1 4.49Å; K169-Y334 WeakPolarHBondContact O-CE1 3.04Å
170	V	97.9	Very high	97.3	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.012	12%	0.116	C	C	.	.	H	α-helix	trans	-71.1	-44.7	179	-179.1	0	0	0	0	109.8	E166 L167 N168 A172 H173 R174 P175 L177 I178	E166-V170 VanDerWaalsContact O-CG2 3.28Å; E166-V170 WeakPolarHBondContact O-CG2 3.2Å; E166-V170 PolarHBondContact O-N 2.88Å; L167-V170 PolarHBondContact O-N 3.48Å; N168-V170 VanDerWaalsContact C-N 3.32Å; N168-V170 PolarHBondContact O-N 3.14Å; V170-A172 PolarHBondContact O-N 3.31Å; V170-H173 PolarHBondContact O-N 3.49Å; V170-R174 WeakPolarHBondContact CG1-O 3.24Å; V170-R174 CarbonylContact O-C 2.9Å; V170-R174 WeakPolarHBondContact O-CA 3.07Å; V170-R174 PolarHBondContact O-N 3.04Å; V170-P175 WeakPolarHBondContact O-CA 2.96Å; V170-P175 VanDerWaalsContact O-N 3.09Å; V170-L177 HydrophobicContact CG1-CB 3.96Å; V170-I178 HydrophobicContact CB-CG1 4.3Å; V170-I178 HydrophobicContact CG1-CD1 4.49Å; V170-I178 HydrophobicContact CG1-CG1 3.55Å
171	L	98.2	Very high	97.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-56.3	-49.4	175.2	-85.7	169.8	0	0	0	112.5	L167 N168 H173 P175 I178 V203 L206 T207 E479 A483	L167-L171 HydrophobicContact CD1-CD1 4.08Å; L167-L171 HydrophobicContact CD1-CG 4.17Å; L167-L171 HydrophobicContact CD2-CD1 4.4Å; L167-L171 HydrophobicContact CG-CD1 3.83Å; L167-L171 HydrophobicContact CG-CG 4.37Å; L167-L171 WeakPolarHBondContact O-CB 3.22Å; L167-L171 WeakPolarHBondContact O-CG 3.41Å; L167-L171 PolarHBondContact O-N 3.35Å; N168-L171 PolarHBondContact O-N 2.88Å; L171-H173 PolarHBondContact O-N 3.45Å; L171-P175 HydrophobicContact CD2-CB 4.47Å; L171-I178 HydrophobicContact CB-CD1 4.47Å; L171-I178 HydrophobicContact CD2-CD1 3.28Å; L171-I178 HydrophobicContact CG-CD1 3.54Å; L171-V203 HydrophobicContact CD1-CG2 4.47Å; L171-L206 HydrophobicContact CD1-CB 4.37Å; L171-L206 HydrophobicContact CD1-CD1 3.93Å; L171-T207 HydrophobicContact CD2-CG2 4.17Å; L171-E479 HydrophobicContact CD2-CB 4.16Å; L171-A483 HydrophobicContact CD2-CB 4.03Å
172	A	98.1	Very high	97.3	Very high	3 Å²	3	29.3 Å²	29.3	3%	0.025	14%	0.142	C	C	.	.	H	α-helix	trans	-63.4	-24.7	-174	0	0	0	0	0	114.5	R127 H128 N168 V170 R475	R127-A172 HydrophobicContact CB-CB 3.72Å; R127-A172 HydrophobicContact CG-CB 3.94Å; H128-A172 PolarHBondContact CE1-O 2.96Å; H128-A172 PolarHBondContact NE2-O 3.46Å; N168-A172 WeakPolarHBondContact O-CB 3.33Å; N168-A172 PolarHBondContact O-N 3.49Å; V170-A172 PolarHBondContact O-N 3.31Å; A172-R475 PolarHBondContact O-NH2 3.27Å
173	H	96.5	Very high	97.3	Very high	8 Å²	8	27.2 Å²	27.2	4%	0.037	13%	0.132	C	C	.	.	H	α-helix	trans	-134.6	-31.8	-165.8	-60.3	-58.8	0	0	0	115	R127 H128 K169 V170 L171 Y334 Y336	R127-H173 PolarHBondContact NE-NE2 3.47Å; R127-H173 PolarHBondContact NH2-CD2 3.21Å; R127-H173 VanDerWaalsContact NH2-CD2 3.34Å; R127-H173 PolarHBondContact NH2-NE2 3.46Å; R127-H173 VanDerWaalsContact NH2-NE2 3.11Å; R127-H173 PolarHBondContact O-CE1 3.31Å; R127-H173 VanDerWaalsContact O-CE1 3.28Å; R127-H173 PolarHBondContact O-NE2 3.47Å; H128-H173 AromaticContact CE1-CE1 3.81Å; H128-H173 AromaticContact CE1-ND1 3.88Å; K169-H173 PolarHBondContact O-CD2 3.43Å; K169-H173 VanDerWaalsContact O-CD2 3.3Å; V170-H173 PolarHBondContact O-N 3.49Å; L171-H173 PolarHBondContact O-N 3.45Å; H173-Y334 HydrophobicContact CB-CD1 4.1Å; H173-Y334 HydrophobicContact CB-CE1 3.93Å; H173-Y334 AromaticContact CD2-CD1 3.82Å; H173-Y336 VanDerWaalsContact O-CD2 3.25Å; H173-Y336 WeakPolarHBondContact O-CD2 3.47Å
174	R	96.2	Very high	97.3	Very high	31 Å²	31	27.9 Å²	27.9	12%	0.117	13%	0.133	C	C	.	.			trans	-148.2	57.2	-175.1	-54.8	-175.6	-157.4	146.4	13.3	111	V170 W176 L177 Y334 G335 K337	V170-R174 WeakPolarHBondContact CG1-O 3.24Å; V170-R174 CarbonylContact O-C 2.9Å; V170-R174 WeakPolarHBondContact O-CA 3.07Å; V170-R174 PolarHBondContact O-N 3.04Å; R174-W176 HydrophobicContact CB-CH2 4.31Å; R174-W176 HydrophobicContact CB-CZ2 3.74Å; R174-W176 HydrophobicContact CG-CH2 4.33Å; R174-W176 HydrophobicContact CG-CZ2 3.81Å; R174-W176 PolarHBondContact O-N 3.5Å; R174-L177 HydrophobicContact CB-CD1 3.83Å; R174-L177 HydrophobicContact CB-CG 4.12Å; R174-L177 HydrophobicContact CG-CD1 4.49Å; R174-L177 WeakPolarHBondContact O-CB 3.29Å; R174-L177 PolarHBondContact O-N 3.38Å; R174-Y334 HydrophobicContact CG-CE1 4.16Å; R174-G335 VanDerWaalsContact CZ-O 3.26Å; R174-G335 PolarHBondContact NE-O 3.31Å; R174-G335 PolarHBondContact NH2-O 2.95Å; R174-K337 VanDerWaalsContact CZ-CD 3.48Å; R174-K337 VanDerWaalsContact NH2-CE 3.33Å
175	P	97.4	Very high	97.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-61.4	-22.2	-170.5	25.7	-36.6	0	0	0	113.3	V170 L171 L177 I178 F413 E479 Y482	V170-P175 WeakPolarHBondContact O-CA 2.96Å; V170-P175 VanDerWaalsContact O-N 3.09Å; L171-P175 HydrophobicContact CD2-CB 4.47Å; P175-L177 PolarHBondContact O-N 3.46Å; P175-I178 HydrophobicContact CB-CD1 4.16Å; P175-I178 WeakPolarHBondContact O-CB 3.32Å; P175-I178 WeakPolarHBondContact O-CD1 3.33Å; P175-I178 WeakPolarHBondContact O-CG1 3.32Å; P175-I178 PolarHBondContact O-N 3.46Å; P175-F413 HydrophobicContact CG-CD1 3.55Å; P175-F413 HydrophobicContact CG-CE1 3.78Å; P175-E479 HydrophobicContact CB-CG 4.49Å; P175-E479 HydrophobicContact CG-CG 4.32Å; P175-Y482 HydrophobicContact CB-CD2 3.8Å; P175-Y482 HydrophobicContact CB-CG 4.15Å; P175-Y482 HydrophobicContact CG-CD2 3.97Å; P175-Y482 HydrophobicContact CG-CE2 4.44Å; P175-Y482 WeakPolarHBondContact O-CB 3.34Å
176	W	96.1	Very high	97.3	Very high	17 Å²	17	30.3 Å²	30.3	6%	0.064	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-65	-13.5	173.3	57.3	83.1	0	0	0	115.5	R174 I178 Y336 K337 F339 V346 F413 Y482	R174-W176 HydrophobicContact CB-CH2 4.31Å; R174-W176 HydrophobicContact CB-CZ2 3.74Å; R174-W176 HydrophobicContact CG-CH2 4.33Å; R174-W176 HydrophobicContact CG-CZ2 3.81Å; R174-W176 PolarHBondContact O-N 3.5Å; W176-I178 VanDerWaalsContact C-N 3.33Å; W176-Y336 HydrophobicContact CH2-CD2 4.12Å; W176-Y336 AromaticContact CH2-CE2 3.64Å; W176-Y336 HydrophobicContact CH2-CE2 3.64Å; W176-Y336 HydrophobicContact CZ3-CE2 4.18Å; W176-K337 VanDerWaalsContact CH2-O 3.24Å; W176-K337 WeakPolarHBondContact CH2-O 3.46Å; W176-K337 WeakPolarHBondContact CZ2-O 3.44Å; W176-F339 HydrophobicContact CB-CD2 3.69Å; W176-F339 HydrophobicContact CB-CE2 3.61Å; W176-F339 AromaticContact CD1-CD2 3.78Å; W176-F339 HydrophobicContact CD2-CB 4.33Å; W176-F339 AromaticContact CD2-CD2 3.55Å; W176-F339 HydrophobicContact CD2-CD2 3.55Å; W176-F339 HydrophobicContact CD2-CE2 4.38Å; W176-F339 HydrophobicContact CD2-CG 4.4Å; W176-F339 HydrophobicContact CE3-CB 4.47Å; W176-F339 AromaticContact CE3-CD2 3.99Å; W176-F339 HydrophobicContact CE3-CD2 3.99Å; W176-F339 AromaticContact CG-CD2 3.38Å; W176-F339 HydrophobicContact CG-CD2 3.38Å; W176-F339 AromaticContact CG-CE2 3.77Å; W176-F339 HydrophobicContact CG-CE2 3.77Å; W176-F339 HydrophobicContact CH2-CB 4.48Å; W176-F339 HydrophobicContact CZ2-CB 4.33Å; W176-V346 HydrophobicContact CB-CG1 4.18Å; W176-V346 HydrophobicContact CG-CG1 4.36Å; W176-F413 AromaticContact CE3-CD1 3.97Å; W176-F413 HydrophobicContact CE3-CD1 3.97Å; W176-F413 AromaticContact CZ3-CD1 3.6Å; W176-F413 HydrophobicContact CZ3-CD1 3.6Å; W176-F413 HydrophobicContact CZ3-CE1 4.12Å; W176-F413 HydrophobicContact CZ3-CG 4.36Å; W176-Y482 VanDerWaalsContact CA-CE1 3.42Å; W176-Y482 HydrophobicContact CB-CD1 4.33Å; W176-Y482 HydrophobicContact CB-CE1 3.67Å; W176-Y482 HydrophobicContact CB-CE2 4.09Å
177	L	95.8	Very high	97.3	Very high	45 Å²	45	27.7 Å²	27.7	24%	0.236	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-86.4	-4.5	173.6	-59.6	-179.9	0	0	0	112.9	V170 R174 P175 T179 H182 M344 V346	V170-L177 HydrophobicContact CG1-CB 3.96Å; R174-L177 HydrophobicContact CB-CD1 3.83Å; R174-L177 HydrophobicContact CB-CG 4.12Å; R174-L177 HydrophobicContact CG-CD1 4.49Å; R174-L177 WeakPolarHBondContact O-CB 3.29Å; R174-L177 PolarHBondContact O-N 3.38Å; P175-L177 PolarHBondContact O-N 3.46Å; L177-T179 WeakPolarHBondContact O-CG2 3.49Å; L177-T179 PolarHBondContact O-N 2.94Å; L177-H182 PolarHBondContact O-CE1 3.04Å; L177-H182 VanDerWaalsContact O-CE1 3.31Å; L177-M344 HydrophobicContact CD2-CE 3.93Å; L177-V346 HydrophobicContact CD2-CG2 4.1Å
178	I	97.3	Very high	97.1	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.051	17%	0.171	C	C	.	.			trans	-67.3	132.8	177.6	-60.1	169.9	0	0	0	109.5	L167 V170 L171 P175 W176 A486	L167-I178 HydrophobicContact CD1-CD1 4.13Å; L167-I178 HydrophobicContact CD1-CG1 4.28Å; L167-I178 HydrophobicContact CD1-CG2 4.15Å; V170-I178 HydrophobicContact CB-CG1 4.3Å; V170-I178 HydrophobicContact CG1-CD1 4.49Å; V170-I178 HydrophobicContact CG1-CG1 3.55Å; L171-I178 HydrophobicContact CB-CD1 4.47Å; L171-I178 HydrophobicContact CD2-CD1 3.28Å; L171-I178 HydrophobicContact CG-CD1 3.54Å; P175-I178 HydrophobicContact CB-CD1 4.16Å; P175-I178 WeakPolarHBondContact O-CB 3.32Å; P175-I178 WeakPolarHBondContact O-CD1 3.33Å; P175-I178 WeakPolarHBondContact O-CG1 3.32Å; P175-I178 PolarHBondContact O-N 3.46Å; W176-I178 VanDerWaalsContact C-N 3.33Å; I178-A486 HydrophobicContact CG2-CB 3.63Å
179	T	96.2	Very high	96.7	Very high	55 Å²	55	34.7 Å²	34.7	34%	0.337	18%	0.18	S	C	.	.			trans	-129.6	169.1	179.2	72.9	0	0	0	0	110.7	L177 E181 H182	L177-T179 WeakPolarHBondContact O-CG2 3.49Å; L177-T179 PolarHBondContact O-N 2.94Å; T179-E181 WeakPolarHBondContact CB-OE2 3.18Å; T179-E181 PolarHBondContact O-N 3.3Å; T179-E181 PolarHBondContact OG1-N 3.44Å; T179-E181 PolarHBondContact OG1-OE2 3.06Å; T179-H182 PolarHBondContact N-ND1 3.29Å; T179-H182 WeakPolarHBondContact O-CB 3.31Å; T179-H182 PolarHBondContact O-N 3.41Å; T179-H182 PolarHBondContact OG1-ND1 3.3Å
180	K	96.7	Very high	96.2	Very high	98 Å²	98	42.4 Å²	42.4	43%	0.426	22%	0.217	S	C	.	.	H	α-helix	trans	-63.7	-24.5	177.1	67.5	178.4	-174.1	174.4	0	112.5	H182 I183 E184 R489	K180-H182 VanDerWaalsContact C-N 3.33Å; K180-H182 PolarHBondContact O-N 2.88Å; K180-I183 WeakPolarHBondContact O-CB 3.3Å; K180-I183 PolarHBondContact O-N 3.1Å; K180-I183 VanDerWaalsContact O-N 3.14Å; K180-E184 WeakPolarHBondContact O-CB 3.33Å; K180-E184 PolarHBondContact O-N 3.49Å; K180-R489 HydrophobicContact CB-CB 4.35Å
181	E	97.4	Very high	95.9	Very high	100 Å²	100	50.7 Å²	50.7	47%	0.467	26%	0.255	S	S	.	.	H	α-helix	trans	-67.5	-33.8	177.9	-63.6	70.6	-151.5	0	0	111.6	T179 I183 E184 G185	T179-E181 WeakPolarHBondContact CB-OE2 3.18Å; T179-E181 PolarHBondContact O-N 3.3Å; T179-E181 PolarHBondContact OG1-N 3.44Å; T179-E181 PolarHBondContact OG1-OE2 3.06Å; E181-I183 VanDerWaalsContact C-N 3.28Å; E181-I183 PolarHBondContact O-N 3.25Å; E181-E184 PolarHBondContact O-N 3.49Å; E181-G185 PolarHBondContact O-N 2.78Å
182	H	98	Very high	95.7	Very high	46 Å²	46	53.8 Å²	53.8	21%	0.213	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-40.3	171.3	-64.8	87.9	0	0	0	111.1	L177 T179 K180	L177-H182 PolarHBondContact O-CE1 3.04Å; L177-H182 VanDerWaalsContact O-CE1 3.31Å; T179-H182 PolarHBondContact N-ND1 3.29Å; T179-H182 WeakPolarHBondContact O-CB 3.31Å; T179-H182 PolarHBondContact O-N 3.41Å; T179-H182 PolarHBondContact OG1-ND1 3.3Å; K180-H182 VanDerWaalsContact C-N 3.33Å; K180-H182 PolarHBondContact O-N 2.88Å
183	I	98.4	Very high	95.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-70.5	-46.7	178.1	-52	-52.3	0	0	0	110.5	K180 E181 G185 L186 L187 L199 A486 I487 Y490	K180-I183 WeakPolarHBondContact O-CB 3.3Å; K180-I183 PolarHBondContact O-N 3.1Å; K180-I183 VanDerWaalsContact O-N 3.14Å; E181-I183 VanDerWaalsContact C-N 3.28Å; E181-I183 PolarHBondContact O-N 3.25Å; I183-G185 VanDerWaalsContact C-N 3.31Å; I183-G185 PolarHBondContact O-N 2.97Å; I183-L186 PolarHBondContact O-N 2.9Å; I183-L187 HydrophobicContact CG2-CD1 3.72Å; I183-L187 HydrophobicContact CG2-CG 4.34Å; I183-L187 WeakPolarHBondContact O-CG 3.49Å; I183-L187 PolarHBondContact O-N 3.43Å; I183-L187 VanDerWaalsContact O-N 3.11Å; I183-L199 HydrophobicContact CD1-CD2 4.32Å; I183-L199 HydrophobicContact CG2-CD2 3.87Å; I183-A486 HydrophobicContact CD1-CB 4.32Å; I183-A486 HydrophobicContact CG1-CB 3.88Å; I183-I487 HydrophobicContact CD1-CG1 3.78Å; I183-I487 HydrophobicContact CG1-CG1 4.07Å; I183-I487 HydrophobicContact CG2-CG1 4.06Å; I183-Y490 HydrophobicContact CB-CG 4.5Å; I183-Y490 HydrophobicContact CG2-CD1 4.23Å; I183-Y490 HydrophobicContact CG2-CD2 4.46Å; I183-Y490 HydrophobicContact CG2-CG 3.94Å
184	E	97.5	Very high	95.7	Very high	65 Å²	65	55.8 Å²	55.8	30%	0.304	28%	0.283	S	S	.	.	H	α-helix	trans	-58.4	-42.2	178.4	-177.8	171.3	-163.8	0	0	112.1	K180 E181 L186 L187 K188 Y490	K180-E184 WeakPolarHBondContact O-CB 3.33Å; K180-E184 PolarHBondContact O-N 3.49Å; E181-E184 PolarHBondContact O-N 3.49Å; E184-L186 VanDerWaalsContact C-N 3.29Å; E184-L186 PolarHBondContact O-N 2.87Å; E184-L187 PolarHBondContact O-N 2.95Å; E184-K188 HydrophobicContact CG-CD 3.65Å; E184-K188 HydrophobicContact CG-CG 4.13Å; E184-K188 WeakPolarHBondContact O-CB 3.25Å; E184-K188 PolarHBondContact O-N 2.83Å; E184-K188 VanDerWaalsContact OE1-CE 3.26Å; E184-K188 WeakPolarHBondContact OE1-CE 3.15Å; E184-K188 IonicContact OE1-NZ 3.3Å; E184-K188 PolarHBondContact OE1-NZ 3.3Å; E184-Y490 HydrophobicContact CB-CD2 3.91Å; E184-Y490 HydrophobicContact CB-CE2 3.83Å; E184-Y490 HydrophobicContact CG-CE2 4.03Å
185	G	97	Very high	95.7	Very high	49 Å²	49	56.8 Å²	56.8	51%	0.505	30%	0.295	S	S	.	.	H	α-helix	trans	-59.3	-37.3	177.6	0	0	0	0	0	113.4	E181 I183	E181-G185 PolarHBondContact O-N 2.78Å; I183-G185 VanDerWaalsContact C-N 3.31Å; I183-G185 PolarHBondContact O-N 2.97Å
186	L	98	Very high	95.8	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-75.5	-37.7	177.6	-67.4	172.1	0	0	0	112.5	N163 L164 L167 I183 E184 W194 L199	N163-L186 HydrophobicContact CB-CD2 4.05Å; N163-L186 VanDerWaalsContact O-CD2 3.26Å; N163-L186 WeakPolarHBondContact O-CD2 2.95Å; L164-L186 HydrophobicContact CD1-CD1 4.18Å; L167-L186 HydrophobicContact CB-CD1 4.1Å; L167-L186 HydrophobicContact CD2-CD1 3.63Å; L167-L186 HydrophobicContact CG-CD1 4.5Å; I183-L186 PolarHBondContact O-N 2.9Å; E184-L186 VanDerWaalsContact C-N 3.29Å; E184-L186 PolarHBondContact O-N 2.87Å; L186-W194 HydrophobicContact CB-CB 4.37Å; L186-W194 HydrophobicContact CB-CG 4.31Å; L186-W194 PolarHBondContact O-N 2.87Å; L186-L199 HydrophobicContact CD1-CD1 3.53Å; L186-L199 HydrophobicContact CD1-CD2 4.36Å
187	L	97.1	Very high	95.9	Very high	24 Å²	24	59.3 Å²	59.3	13%	0.126	31%	0.314	C	S	.	.	H	α-helix	trans	-81	-24.1	-176.6	-61.3	176.5	0	0	0	113	I183 E184 W194 L196 L199 Y490	I183-L187 HydrophobicContact CG2-CD1 3.72Å; I183-L187 HydrophobicContact CG2-CG 4.34Å; I183-L187 WeakPolarHBondContact O-CG 3.49Å; I183-L187 PolarHBondContact O-N 3.43Å; I183-L187 VanDerWaalsContact O-N 3.11Å; E184-L187 PolarHBondContact O-N 2.95Å; L187-W194 HydrophobicContact CD2-CB 4.22Å; L187-W194 WeakPolarHBondContact CD2-O 3.45Å; L187-L196 HydrophobicContact CD1-CD2 3.65Å; L187-L196 HydrophobicContact CD1-CG 4.19Å; L187-L196 HydrophobicContact CD2-CD2 4.32Å; L187-L196 HydrophobicContact CD2-CG 4.37Å; L187-L199 HydrophobicContact CD2-CD2 4.11Å; L187-L199 HydrophobicContact CG-CD2 4.33Å; L187-Y490 HydrophobicContact CD1-CD1 3.54Å; L187-Y490 HydrophobicContact CD1-CE1 3.12Å; L187-Y490 HydrophobicContact CD1-CE2 4.17Å; L187-Y490 HydrophobicContact CD1-CG 4.23Å; L187-Y490 VanDerWaalsContact CD1-CZ 3.46Å; L187-Y490 HydrophobicContact CG-CE1 4.46Å
188	K	94.4	Very high	96	Very high	127 Å²	127	59 Å²	59	55%	0.552	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	11.5	-180	-65.2	-170.1	177.2	178.7	0	114.4	E184 E190	E184-K188 HydrophobicContact CG-CD 3.65Å; E184-K188 HydrophobicContact CG-CG 4.13Å; E184-K188 WeakPolarHBondContact O-CB 3.25Å; E184-K188 PolarHBondContact O-N 2.83Å; E184-K188 VanDerWaalsContact OE1-CE 3.26Å; E184-K188 WeakPolarHBondContact OE1-CE 3.15Å; E184-K188 IonicContact OE1-NZ 3.3Å; E184-K188 PolarHBondContact OE1-NZ 3.3Å; K188-E190 PolarHBondContact O-N 2.84Å
189	A	88.3	Confident	96.1	Very high	25 Å²	25	58.5 Å²	58.5	21%	0.207	31%	0.308	C	S	.	.			trans	-75.1	42.8	-176.3	0	0	0	0	0	114.8	E191 H192 S193	A189-E191 PolarHBondContact O-N 3.28Å; A189-E191 VanDerWaalsContact O-N 3.12Å; A189-H192 CarbonylContact O-C 3.6Å; A189-H192 VanDerWaalsContact O-C 3.32Å; A189-H192 WeakPolarHBondContact O-CA 3.22Å; A189-H192 PolarHBondContact O-N 2.88Å; A189-S193 PolarHBondContact O-N 3.16Å
190	E	88.5	Confident	96.2	Very high	179 Å²	179	55.9 Å²	55.9	84%	0.836	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	36.1	-110.8	176.3	-61.1	-176.3	-178.1	0	0	114	K188 H192 S193	K188-E190 PolarHBondContact O-N 2.84Å; E190-H192 PolarHBondContact O-N 3.48Å; E190-S193 PolarHBondContact O-N 2.98Å; E190-S193 PolarHBondContact O-OG 3.38Å
191	E	91.2	Very high	96.3	Very high	176 Å²	176	51.2 Å²	51.2	82%	0.822	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-62.2	-21.6	-178.6	-171.6	176	174.5	0	0	113.9	A189	A189-E191 PolarHBondContact O-N 3.28Å; A189-E191 VanDerWaalsContact O-N 3.12Å
192	H	93.4	Very high	96.3	Very high	64 Å²	64	46.4 Å²	46.4	30%	0.296	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-118.7	25.2	-175.9	-53.9	-43.6	0	0	0	112.4	Q159 K160 A189 E190	Q159-H192 VanDerWaalsContact CB-CD2 3.42Å; Q159-H192 WeakPolarHBondContact CB-CD2 3.4Å; Q159-H192 WeakPolarHBondContact CG-CD2 3.26Å; K160-H192 HydrophobicContact CB-CB 4.17Å; A189-H192 CarbonylContact O-C 3.6Å; A189-H192 VanDerWaalsContact O-C 3.32Å; A189-H192 WeakPolarHBondContact O-CA 3.22Å; A189-H192 PolarHBondContact O-N 2.88Å; E190-H192 PolarHBondContact O-N 3.48Å
193	S	95.9	Very high	96.4	Very high	48 Å²	48	44.2 Å²	44.2	34%	0.336	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-62.3	139.6	178.6	64.6	0	0	0	0	112.2	K160 A189 E190	K160-S193 WeakPolarHBondContact CE-O 3.14Å; K160-S193 PolarHBondContact NZ-O 2.83Å; K160-S193 VanDerWaalsContact NZ-O 3.15Å; A189-S193 PolarHBondContact O-N 3.16Å; E190-S193 PolarHBondContact O-N 2.98Å; E190-S193 PolarHBondContact O-OG 3.38Å
194	W	98.2	Very high	96.4	Very high	5 Å²	5	44.3 Å²	44.3	2%	0.019	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-83.4	143	164.7	-69.6	76.2	0	0	0	109.9	L112 I120 K160 L161 L164 L186 L187 E198 L199 A202	L112-W194 HydrophobicContact CD1-CZ3 4.25Å; L112-W194 HydrophobicContact CD2-CH2 4.33Å; L112-W194 HydrophobicContact CD2-CZ3 3.77Å; I120-W194 HydrophobicContact CD1-CH2 4.14Å; K160-W194 HydrophobicContact CG-CD2 4.33Å; K160-W194 HydrophobicContact CG-CZ2 3.96Å; K160-W194 WeakPolarHBondContact O-CZ2 3.33Å; K160-W194 PolarHBondContact O-NE1 3Å; L161-W194 HydrophobicContact CD2-CH2 4.19Å; L161-W194 HydrophobicContact CD2-CZ2 4.26Å; L164-W194 HydrophobicContact CB-CZ2 4.05Å; L164-W194 HydrophobicContact CD1-CZ2 4.39Å; L164-W194 HydrophobicContact CD2-CH2 3.99Å; L164-W194 HydrophobicContact CD2-CZ2 4.08Å; L164-W194 HydrophobicContact CG-CZ2 4.41Å; L186-W194 HydrophobicContact CB-CB 4.37Å; L186-W194 HydrophobicContact CB-CG 4.31Å; L186-W194 PolarHBondContact O-N 2.87Å; L187-W194 HydrophobicContact CD2-CB 4.22Å; L187-W194 WeakPolarHBondContact CD2-O 3.45Å; W194-E198 HydrophobicContact CE3-CB 3.65Å; W194-E198 HydrophobicContact CZ3-CB 4.08Å; W194-L199 HydrophobicContact CB-CB 4.39Å; W194-A202 HydrophobicContact CE3-CB 4.42Å; W194-A202 HydrophobicContact CH2-CB 4Å; W194-A202 HydrophobicContact CZ3-CB 3.63Å
195	S	97.7	Very high	96.5	Very high	52 Å²	52	41.2 Å²	41.2	36%	0.364	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-81.6	160	159.5	66.6	0	0	0	0	110.2	A197 E198 L199	S195-A197 PolarHBondContact O-N 3.31Å; S195-E198 PolarHBondContact N-OE2 3.39Å; S195-E198 PolarHBondContact O-N 3.18Å; S195-E198 WeakPolarHBondContact OG-CB 3.4Å; S195-E198 WeakPolarHBondContact OG-CG 3.48Å; S195-E198 PolarHBondContact OG-N 3.19Å; S195-E198 PolarHBondContact OG-OE2 2.73Å; S195-L199 WeakPolarHBondContact O-CB 3.42Å; S195-L199 PolarHBondContact O-N 3.38Å
196	L	98	Very high	96.5	Very high	43 Å²	43	38.9 Å²	38.9	23%	0.225	20%	0.201	C	C	.	.	H	α-helix	trans	-58.4	-37.4	175.4	-77.8	168.7	0	0	0	112.6	L187 L199 V200 L367 I487 Y490 M491	L187-L196 HydrophobicContact CD1-CD2 3.65Å; L187-L196 HydrophobicContact CD1-CG 4.19Å; L187-L196 HydrophobicContact CD2-CD2 4.32Å; L187-L196 HydrophobicContact CD2-CG 4.37Å; L196-L199 PolarHBondContact O-N 3.07Å; L196-V200 WeakPolarHBondContact O-CG2 3.47Å; L196-V200 PolarHBondContact O-N 2.87Å; L196-L367 HydrophobicContact CB-CD1 4.13Å; L196-L367 HydrophobicContact CB-CD2 3.81Å; L196-I487 HydrophobicContact CD2-CG2 4Å; L196-Y490 HydrophobicContact CD2-CD1 4.48Å; L196-M491 HydrophobicContact CD1-CE 3.78Å; L196-M491 HydrophobicContact CD1-CG 4.18Å; L196-M491 HydrophobicContact CD1-SD 4.05Å; L196-M491 HydrophobicContact CD2-CG 4.35Å; L196-M491 HydrophobicContact CD2-SD 4.38Å
197	A	98.3	Very high	96.6	Very high	28 Å²	28	38.5 Å²	38.5	23%	0.231	20%	0.2	C	C	.	.	H	α-helix	trans	-67	-46.6	178.4	0	0	0	0	0	111.8	P111 S195 L199 V200 H201 L367	P111-A197 HydrophobicContact CB-CB 4.01Å; P111-A197 HydrophobicContact CG-CB 3.81Å; S195-A197 PolarHBondContact O-N 3.31Å; A197-L199 VanDerWaalsContact C-N 3.32Å; A197-L199 PolarHBondContact O-N 3.07Å; A197-V200 PolarHBondContact O-N 3.4Å; A197-H201 WeakPolarHBondContact O-CB 3.35Å; A197-H201 PolarHBondContact O-N 3.32Å; A197-L367 WeakPolarHBondContact CA-O 3.02Å; A197-L367 VanDerWaalsContact CB-O 3.25Å; A197-L367 WeakPolarHBondContact CB-O 3.35Å
198	E	98.5	Very high	96.7	Very high	37 Å²	37	37.5 Å²	37.5	17%	0.173	19%	0.194	C	C	.	.	H	α-helix	trans	-61.5	-41.5	174.5	-71.2	170.1	130.6	0	0	111.7	P111 L112 K160 W194 S195 H201 A202	P111-E198 HydrophobicContact CB-CG 4.1Å; L112-E198 HydrophobicContact CD2-CB 3.87Å; L112-E198 HydrophobicContact CD2-CG 3.86Å; L112-E198 HydrophobicContact CG-CB 4.37Å; L112-E198 HydrophobicContact CG-CG 4.44Å; K160-E198 IonicContact NZ-OE1 3.51Å; K160-E198 PolarHBondContact NZ-OE1 2.9Å; K160-E198 IonicContact NZ-OE2 2.65Å; K160-E198 PolarHBondContact NZ-OE2 3.34Å; W194-E198 HydrophobicContact CE3-CB 3.65Å; W194-E198 HydrophobicContact CZ3-CB 4.08Å; S195-E198 PolarHBondContact N-OE2 3.39Å; S195-E198 PolarHBondContact O-N 3.18Å; S195-E198 WeakPolarHBondContact OG-CB 3.4Å; S195-E198 WeakPolarHBondContact OG-CG 3.48Å; S195-E198 PolarHBondContact OG-N 3.19Å; S195-E198 PolarHBondContact OG-OE2 2.73Å; E198-H201 PolarHBondContact O-N 3.18Å; E198-A202 WeakPolarHBondContact O-CB 3.38Å; E198-A202 PolarHBondContact O-N 2.88Å
199	L	98.6	Very high	96.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.8	-43.3	-179.4	-178.2	56.8	0	0	0	111.8	L164 L167 I183 L186 L187 W194 S195 L196 A197 H201 A202 V203	L164-L199 HydrophobicContact CD1-CD1 4.34Å; L167-L199 HydrophobicContact CD2-CD1 3.87Å; I183-L199 HydrophobicContact CD1-CD2 4.32Å; I183-L199 HydrophobicContact CG2-CD2 3.87Å; L186-L199 HydrophobicContact CD1-CD1 3.53Å; L186-L199 HydrophobicContact CD1-CD2 4.36Å; L187-L199 HydrophobicContact CD2-CD2 4.11Å; L187-L199 HydrophobicContact CG-CD2 4.33Å; W194-L199 HydrophobicContact CB-CB 4.39Å; S195-L199 WeakPolarHBondContact O-CB 3.42Å; S195-L199 PolarHBondContact O-N 3.38Å; L196-L199 PolarHBondContact O-N 3.07Å; A197-L199 VanDerWaalsContact C-N 3.32Å; A197-L199 PolarHBondContact O-N 3.07Å; L199-H201 VanDerWaalsContact C-N 3.33Å; L199-H201 PolarHBondContact O-N 3.48Å; L199-A202 PolarHBondContact O-N 2.94Å; L199-V203 HydrophobicContact CD1-CG2 4.3Å; L199-V203 WeakPolarHBondContact O-CB 3.36Å; L199-V203 VanDerWaalsContact O-CG2 3.31Å; L199-V203 WeakPolarHBondContact O-CG2 3.43Å; L199-V203 PolarHBondContact O-N 2.94Å
200	V	98.5	Very high	97.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.4	-42.8	174.8	165.8	0	0	0	0	111	L196 A197 A202 V203 V204 V364 L367 I487	L196-V200 WeakPolarHBondContact O-CG2 3.47Å; L196-V200 PolarHBondContact O-N 2.87Å; A197-V200 PolarHBondContact O-N 3.4Å; V200-A202 PolarHBondContact O-N 2.84Å; V200-V203 PolarHBondContact O-N 3.47Å; V200-V204 WeakPolarHBondContact O-CG2 3.48Å; V200-V204 PolarHBondContact O-N 2.99Å; V200-V364 HydrophobicContact CG1-CB 4.48Å; V200-V364 HydrophobicContact CG1-CG1 4.22Å; V200-V364 HydrophobicContact CG1-CG2 4.31Å; V200-L367 HydrophobicContact CB-CB 4.07Å; V200-L367 HydrophobicContact CG1-CB 4.28Å; V200-L367 HydrophobicContact CG2-CB 3.89Å; V200-L367 HydrophobicContact CG2-CD1 3.47Å; V200-L367 VanDerWaalsContact CG2-CD1 3.47Å; V200-L367 HydrophobicContact CG2-CG 4.32Å; V200-I487 HydrophobicContact CG2-CD1 3.97Å
201	H	98.7	Very high	97.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.4	-45.7	175.3	-167	167.3	0	0	0	111.3	L105 P111 L112 R117 A197 E198 L199 V203 V204 L205 Y368	L105-H201 PolarHBondContact O-NE2 3.44Å; P111-H201 HydrophobicContact CB-CB 4.41Å; P111-H201 WeakPolarHBondContact CD-ND1 3.48Å; P111-H201 HydrophobicContact CG-CB 4.37Å; L112-H201 HydrophobicContact CD1-CB 3.92Å; L112-H201 HydrophobicContact CG-CB 4.29Å; R117-H201 PolarHBondContact NE-CE1 3.04Å; A197-H201 WeakPolarHBondContact O-CB 3.35Å; A197-H201 PolarHBondContact O-N 3.32Å; E198-H201 PolarHBondContact O-N 3.18Å; L199-H201 VanDerWaalsContact C-N 3.33Å; L199-H201 PolarHBondContact O-N 3.48Å; H201-V203 PolarHBondContact O-N 3.35Å; H201-V204 PolarHBondContact O-N 2.9Å; H201-L205 WeakPolarHBondContact O-CG 3.2Å; H201-L205 PolarHBondContact O-N 3.44Å; H201-Y368 HydrophobicContact CB-CD1 4.08Å; H201-Y368 HydrophobicContact CB-CE1 4.31Å; H201-Y368 AromaticContact CD2-CE1 3.42Å; H201-Y368 VanDerWaalsContact CD2-CE1 3.42Å; H201-Y368 WeakPolarHBondContact CD2-CE1 3.21Å; H201-Y368 AromaticContact CE1-CE1 3.68Å; H201-Y368 AromaticContact CE1-CZ 3.5Å; H201-Y368 PolarHBondContact CE1-OH 3.14Å; H201-Y368 VanDerWaalsContact CE1-OH 3.23Å; H201-Y368 AromaticContact CG-CD1 3.93Å; H201-Y368 AromaticContact CG-CE1 3.65Å; H201-Y368 AromaticContact ND1-CE1 3.83Å; H201-Y368 AromaticContact ND1-CZ 3.84Å; H201-Y368 AromaticContact NE2-CE1 3.47Å; H201-Y368 WeakPolarHBondContact NE2-CE1 3.49Å; H201-Y368 AromaticContact NE2-CZ 3.68Å; H201-Y368 PolarHBondContact NE2-OH 3.33Å
202	A	98.8	Very high	98.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.5	-45	175.6	0	0	0	0	0	112.3	L112 I120 L164 W194 E198 L199 V200 V204 L205 L206	L112-A202 HydrophobicContact CD1-CB 4.21Å; I120-A202 HydrophobicContact CD1-CB 3.97Å; L164-A202 HydrophobicContact CD1-CB 4.32Å; L164-A202 HydrophobicContact CD2-CB 4Å; W194-A202 HydrophobicContact CE3-CB 4.42Å; W194-A202 HydrophobicContact CH2-CB 4Å; W194-A202 HydrophobicContact CZ3-CB 3.63Å; E198-A202 WeakPolarHBondContact O-CB 3.38Å; E198-A202 PolarHBondContact O-N 2.88Å; L199-A202 PolarHBondContact O-N 2.94Å; V200-A202 PolarHBondContact O-N 2.84Å; A202-V204 VanDerWaalsContact C-N 3.33Å; A202-V204 PolarHBondContact O-N 3.49Å; A202-L205 PolarHBondContact O-N 3.47Å; A202-L206 WeakPolarHBondContact O-CB 3.42Å; A202-L206 VanDerWaalsContact O-CG 3.24Å; A202-L206 WeakPolarHBondContact O-CG 3.32Å; A202-L206 PolarHBondContact O-N 3.39Å
203	V	98.8	Very high	98.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.3	-43.7	176.9	164.8	0	0	0	0	111.4	L167 L171 L199 V200 H201 L206 T207 L480 A483	L167-V203 HydrophobicContact CD2-CG2 4.03Å; L171-V203 HydrophobicContact CD1-CG2 4.47Å; L199-V203 HydrophobicContact CD1-CG2 4.3Å; L199-V203 WeakPolarHBondContact O-CB 3.36Å; L199-V203 VanDerWaalsContact O-CG2 3.31Å; L199-V203 WeakPolarHBondContact O-CG2 3.43Å; L199-V203 PolarHBondContact O-N 2.94Å; V200-V203 PolarHBondContact O-N 3.47Å; H201-V203 PolarHBondContact O-N 3.35Å; V203-L206 PolarHBondContact O-N 3.43Å; V203-T207 HydrophobicContact CG1-CG2 4.39Å; V203-T207 WeakPolarHBondContact O-CG2 3.4Å; V203-T207 PolarHBondContact O-N 3.4Å; V203-T207 PolarHBondContact O-OG1 3.11Å; V203-L480 HydrophobicContact CG1-CD2 3.9Å; V203-A483 HydrophobicContact CG1-CB 3.59Å; V203-A483 HydrophobicContact CG2-CB 4.27Å
204	V	98.8	Very high	98.5	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.006	5%	0.051	C	C	.	.	H	α-helix	trans	-61.7	-45.4	176.3	172.3	0	0	0	0	110.9	L105 V200 H201 A202 T207 H208 V364 V371 I375 L480	L105-V204 HydrophobicContact CD1-CG1 4.1Å; L105-V204 HydrophobicContact CD2-CG1 3.59Å; V200-V204 WeakPolarHBondContact O-CG2 3.48Å; V200-V204 PolarHBondContact O-N 2.99Å; H201-V204 PolarHBondContact O-N 2.9Å; A202-V204 VanDerWaalsContact C-N 3.33Å; A202-V204 PolarHBondContact O-N 3.49Å; V204-T207 PolarHBondContact O-OG1 3.1Å; V204-H208 WeakPolarHBondContact O-CB 3.18Å; V204-H208 PolarHBondContact O-N 3.39Å; V204-V364 HydrophobicContact CG2-CG1 4.41Å; V204-V371 HydrophobicContact CG1-CG2 4.16Å; V204-I375 HydrophobicContact CG1-CD1 3.81Å; V204-I375 HydrophobicContact CG2-CD1 3.97Å; V204-L480 HydrophobicContact CG2-CD2 4.38Å
205	L	98.9	Very high	98.6	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61.9	-46.6	176.5	-71.5	165.8	0	0	0	112	L105 L106 L112 R117 I120 H201 A202 H208 Y209	L105-L205 HydrophobicContact CB-CD2 4.06Å; L105-L205 HydrophobicContact CD1-CD2 4.5Å; L106-L205 HydrophobicContact CD2-CD2 4.04Å; L112-L205 HydrophobicContact CD1-CD1 4.3Å; R117-L205 HydrophobicContact CB-CD1 3.82Å; R117-L205 HydrophobicContact CG-CD1 4.11Å; I120-L205 HydrophobicContact CB-CD1 4.37Å; I120-L205 HydrophobicContact CD1-CD1 4.27Å; I120-L205 HydrophobicContact CG2-CB 3.71Å; I120-L205 HydrophobicContact CG2-CD1 4.3Å; H201-L205 WeakPolarHBondContact O-CG 3.2Å; H201-L205 PolarHBondContact O-N 3.44Å; A202-L205 PolarHBondContact O-N 3.47Å; L205-H208 PolarHBondContact O-N 3.49Å; L205-Y209 HydrophobicContact CD2-CE2 4.02Å; L205-Y209 WeakPolarHBondContact O-CD2 3.48Å; L205-Y209 PolarHBondContact O-N 2.79Å
206	L	98.9	Very high	98.6	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-57.7	-57.2	179.5	-71.7	176.6	0	0	0	111.1	I120 A124 L164 N168 L171 A202 V203 H208 Y209 H210	I120-L206 HydrophobicContact CG2-CD2 3.67Å; I120-L206 HydrophobicContact CG2-CG 3.9Å; A124-L206 HydrophobicContact CB-CD2 3.85Å; L164-L206 HydrophobicContact CD1-CD1 4.17Å; L164-L206 HydrophobicContact CD2-CD1 4.17Å; L164-L206 HydrophobicContact CG-CD1 4.14Å; N168-L206 HydrophobicContact CB-CD1 4.15Å; N168-L206 HydrophobicContact CB-CD2 4.02Å; N168-L206 WeakPolarHBondContact OD1-CD2 3.11Å; L171-L206 HydrophobicContact CD1-CB 4.37Å; L171-L206 HydrophobicContact CD1-CD1 3.93Å; A202-L206 WeakPolarHBondContact O-CB 3.42Å; A202-L206 VanDerWaalsContact O-CG 3.24Å; A202-L206 WeakPolarHBondContact O-CG 3.32Å; A202-L206 PolarHBondContact O-N 3.39Å; V203-L206 PolarHBondContact O-N 3.43Å; L206-H208 VanDerWaalsContact C-N 3.29Å; L206-H208 PolarHBondContact O-N 3.36Å; L206-Y209 PolarHBondContact O-N 3.12Å; L206-H210 PolarHBondContact O-CD2 2.85Å; L206-H210 VanDerWaalsContact O-CD2 3.31Å; L206-H210 PolarHBondContact O-N 3.22Å; L206-H210 PolarHBondContact O-ND1 3.47Å
207	T	98.8	Very high	98.6	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-62.5	-36.2	-178.5	56	0	0	0	0	112.6	L171 V203 V204 S211 E479 L480	L171-T207 HydrophobicContact CD2-CG2 4.17Å; V203-T207 HydrophobicContact CG1-CG2 4.39Å; V203-T207 WeakPolarHBondContact O-CG2 3.4Å; V203-T207 PolarHBondContact O-N 3.4Å; V203-T207 PolarHBondContact O-OG1 3.11Å; V204-T207 PolarHBondContact O-OG1 3.1Å; T207-S211 WeakPolarHBondContact O-CB 3.31Å; T207-S211 PolarHBondContact O-N 3.34Å; T207-S211 VanDerWaalsContact O-N 3.15Å; T207-S211 PolarHBondContact O-OG 3.25Å; T207-E479 HydrophobicContact CG2-CB 3.47Å; T207-E479 VanDerWaalsContact CG2-CB 3.47Å; T207-L480 HydrophobicContact CG2-CD2 4.06Å; T207-L480 HydrophobicContact CG2-CG 4.23Å; T207-L480 WeakPolarHBondContact OG1-CD2 3.49Å
208	H	98.7	Very high	98.6	Very high	2 Å²	2	3.9 Å²	3.9	1%	0.009	2%	0.019	C	C	.	.	H	α-helix	trans	-61.5	-48.6	174.7	-175.2	76.2	0	0	0	111.7	F98 Q102 L105 V204 L205 L206 S211 L212 M476	F98-H208 AromaticContact CE2-CE1 3.7Å; F98-H208 AromaticContact CE2-NE2 3.79Å; Q102-H208 PolarHBondContact NE2-CD2 2.92Å; Q102-H208 PolarHBondContact NE2-NE2 3.29Å; L105-H208 HydrophobicContact CD1-CB 4.49Å; V204-H208 WeakPolarHBondContact O-CB 3.18Å; V204-H208 PolarHBondContact O-N 3.39Å; L205-H208 PolarHBondContact O-N 3.49Å; L206-H208 VanDerWaalsContact C-N 3.29Å; L206-H208 PolarHBondContact O-N 3.36Å; H208-S211 PolarHBondContact O-N 3.43Å; H208-L212 WeakPolarHBondContact O-CB 3.27Å; H208-L212 PolarHBondContact O-N 3.36Å; H208-M476 HydrophobicContact CB-CE 4.06Å; H208-M476 HydrophobicContact CB-SD 4.35Å
209	Y	98.7	Very high	98.5	Very high	1 Å²	1	2.1 Å²	2.1	0%	0.004	1%	0.011	C	C	.	.	H	α-helix	trans	-82.8	-21.7	-176.6	-72.3	-63.7	0	0	0	114.4	Q102 L106 L133 H137 L205 L206 S211 L212 A213	Q102-Y209 PolarHBondContact NE2-OH 3.48Å; Q102-Y209 PolarHBondContact OE1-OH 3.36Å; L106-Y209 WeakPolarHBondContact CD1-OH 3.18Å; L106-Y209 HydrophobicContact CD2-CE2 4.46Å; L133-Y209 HydrophobicContact CD1-CD1 4.45Å; H137-Y209 AromaticContact CE1-CE1 3.77Å; H137-Y209 AromaticContact CE1-CE2 3.67Å; H137-Y209 AromaticContact CE1-CZ 3.28Å; H137-Y209 PolarHBondContact CE1-OH 3.21Å; H137-Y209 VanDerWaalsContact CE1-OH 3.23Å; H137-Y209 AromaticContact NE2-CD1 3.58Å; H137-Y209 AromaticContact NE2-CE1 3.02Å; H137-Y209 WeakPolarHBondContact NE2-CE1 3.37Å; H137-Y209 AromaticContact NE2-CE2 3.61Å; H137-Y209 AromaticContact NE2-CZ 3.03Å; H137-Y209 PolarHBondContact NE2-OH 3.26Å; L205-Y209 HydrophobicContact CD2-CE2 4.02Å; L205-Y209 WeakPolarHBondContact O-CD2 3.48Å; L205-Y209 PolarHBondContact O-N 2.79Å; L206-Y209 PolarHBondContact O-N 3.12Å; Y209-S211 VanDerWaalsContact C-N 3.33Å; Y209-L212 HydrophobicContact CD1-CB 4.32Å; Y209-L212 HydrophobicContact CD1-CD2 3.87Å; Y209-L212 HydrophobicContact CE1-CD2 3.76Å; Y209-A213 WeakPolarHBondContact O-CB 3.38Å; Y209-A213 PolarHBondContact O-N 2.81Å
210	H	98.7	Very high	98.4	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-60.6	-47	163.5	-63	160.4	0	0	0	110.9	A124 N168 L206 A213 S214 R475 E479	A124-H210 PolarHBondContact O-CD2 3.36Å; N168-H210 PolarHBondContact OD1-CE1 3.3Å; N168-H210 PolarHBondContact OD1-NE2 2.84Å; L206-H210 PolarHBondContact O-CD2 2.85Å; L206-H210 VanDerWaalsContact O-CD2 3.31Å; L206-H210 PolarHBondContact O-N 3.22Å; L206-H210 PolarHBondContact O-ND1 3.47Å; H210-A213 WeakPolarHBondContact O-CB 3.43Å; H210-A213 PolarHBondContact O-N 3.32Å; H210-S214 PolarHBondContact O-N 3.33Å; H210-R475 PolarHBondContact O-NH1 2.98Å; H210-E479 IonicContact CE1-OE2 3.58Å; H210-E479 IonicContact CG-OE2 3.32Å; H210-E479 IonicContact ND1-OE1 2.97Å; H210-E479 IonicContact ND1-OE2 2.68Å; H210-E479 PolarHBondContact ND1-OE2 3.23Å
211	S	98.6	Very high	98.3	Very high	2 Å²	2	2.8 Å²	2.8	1%	0.014	2%	0.016	C	C	.	.	H	α-helix	trans	-72.4	-39	-178.8	-54.9	0	0	0	0	111.7	T207 H208 Y209 A213 S214 F215 I472 M476	T207-S211 WeakPolarHBondContact O-CB 3.31Å; T207-S211 PolarHBondContact O-N 3.34Å; T207-S211 VanDerWaalsContact O-N 3.15Å; T207-S211 PolarHBondContact O-OG 3.25Å; H208-S211 PolarHBondContact O-N 3.43Å; Y209-S211 VanDerWaalsContact C-N 3.33Å; S211-A213 VanDerWaalsContact C-N 3.28Å; S211-A213 PolarHBondContact O-N 3.4Å; S211-S214 WeakPolarHBondContact O-CA 3.33Å; S211-S214 VanDerWaalsContact O-CB 3.26Å; S211-S214 WeakPolarHBondContact O-CB 3.33Å; S211-S214 PolarHBondContact O-N 3.47Å; S211-F215 PolarHBondContact O-N 2.82Å; S211-I472 WeakPolarHBondContact CB-O 3.46Å; S211-I472 WeakPolarHBondContact O-CG2 3.15Å; S211-I472 PolarHBondContact OG-O 2.75Å; S211-M476 WeakPolarHBondContact OG-CA 3.44Å; S211-M476 WeakPolarHBondContact OG-CB 3.3Å; S211-M476 PolarHBondContact OG-N 3.38Å
212	L	98.5	Very high	98.1	Very high	6 Å²	6	3 Å²	3	3%	0.031	2%	0.017	C	C	.	.	H	α-helix	trans	-66.4	-30.6	175.3	-165.1	61.1	0	0	0	112.2	I84 M88 F98 L133 H208 Y209 S214 F215 T216	I84-L212 HydrophobicContact CD1-CD1 4.02Å; I84-L212 HydrophobicContact CD1-CD2 4.08Å; I84-L212 HydrophobicContact CD1-CG 3.91Å; I84-L212 HydrophobicContact CG2-CD1 4.09Å; M88-L212 HydrophobicContact CE-CD1 4.1Å; F98-L212 HydrophobicContact CE2-CD1 3.8Å; F98-L212 HydrophobicContact CE2-CD2 4.42Å; F98-L212 HydrophobicContact CZ-CD1 3.85Å; F98-L212 HydrophobicContact CZ-CD2 4.05Å; L133-L212 HydrophobicContact CD1-CB 3.99Å; L133-L212 HydrophobicContact CD1-CD2 4.33Å; L133-L212 HydrophobicContact CD1-CG 4.04Å; L133-L212 HydrophobicContact CD2-CD2 3.74Å; L133-L212 HydrophobicContact CD2-CG 4.06Å; H208-L212 WeakPolarHBondContact O-CB 3.27Å; H208-L212 PolarHBondContact O-N 3.36Å; Y209-L212 HydrophobicContact CD1-CB 4.32Å; Y209-L212 HydrophobicContact CD1-CD2 3.87Å; Y209-L212 HydrophobicContact CE1-CD2 3.76Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-F215 HydrophobicContact CD1-CB 4.27Å; L212-F215 HydrophobicContact CD1-CD1 4.46Å; L212-F215 WeakPolarHBondContact O-CB 3.26Å; L212-F215 PolarHBondContact O-N 3.36Å; L212-T216 WeakPolarHBondContact O-CB 3.42Å; L212-T216 PolarHBondContact O-N 2.77Å; L212-T216 PolarHBondContact O-OG1 3.01Å
213	A	98.4	Very high	97.7	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-61.4	-43.7	170.1	0	0	0	0	0	110.6	H128 C130 L133 Y209 H210 S211 F215 T216 F217	H128-A213 HydrophobicContact CB-CB 3.79Å; C130-A213 HydrophobicContact CB-CB 3.75Å; L133-A213 HydrophobicContact CD1-CB 4.07Å; Y209-A213 WeakPolarHBondContact O-CB 3.38Å; Y209-A213 PolarHBondContact O-N 2.81Å; H210-A213 WeakPolarHBondContact O-CB 3.43Å; H210-A213 PolarHBondContact O-N 3.32Å; S211-A213 VanDerWaalsContact C-N 3.28Å; S211-A213 PolarHBondContact O-N 3.4Å; A213-F215 VanDerWaalsContact C-N 3.34Å; A213-F215 PolarHBondContact O-N 3.39Å; A213-T216 WeakPolarHBondContact O-CB 3.39Å; A213-T216 PolarHBondContact O-N 3.19Å; A213-F217 WeakPolarHBondContact O-CD2 3.22Å; A213-F217 PolarHBondContact O-N 2.57Å; A213-F217 VanDerWaalsContact O-N 3.1Å
214	S	98.4	Very high	97.3	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-57.2	-44.1	172.8	-72.2	0	0	0	0	113	H210 S211 L212 T216 F217 G218 V440 R475	H210-S214 PolarHBondContact O-N 3.33Å; S211-S214 WeakPolarHBondContact O-CA 3.33Å; S211-S214 VanDerWaalsContact O-CB 3.26Å; S211-S214 WeakPolarHBondContact O-CB 3.33Å; S211-S214 PolarHBondContact O-N 3.47Å; L212-S214 VanDerWaalsContact C-N 3.33Å; S214-T216 VanDerWaalsContact C-N 3.34Å; S214-T216 PolarHBondContact O-N 3.48Å; S214-F217 PolarHBondContact O-N 3.24Å; S214-G218 PolarHBondContact O-N 3.37Å; S214-V440 WeakPolarHBondContact CB-O 3.34Å; S214-V440 PolarHBondContact OG-O 3.22Å; S214-R475 PolarHBondContact OG-NH1 3.45Å
215	F	98.7	Very high	96.6	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.3	-46.7	175.3	-173.1	-103.3	0	0	0	111.5	I84 V87 M88 S211 L212 A213 F217 G218 C219 I221 V465 N468 L469 I472	I84-F215 HydrophobicContact CG2-CD1 4.12Å; I84-F215 HydrophobicContact CG2-CE1 4.04Å; V87-F215 HydrophobicContact CG1-CE1 4.4Å; V87-F215 HydrophobicContact CG1-CZ 4.04Å; M88-F215 HydrophobicContact CE-CD1 3.86Å; M88-F215 HydrophobicContact CE-CD2 4.36Å; M88-F215 HydrophobicContact CE-CE1 3.75Å; M88-F215 HydrophobicContact CE-CE2 4.26Å; M88-F215 HydrophobicContact CE-CG 4.16Å; M88-F215 HydrophobicContact CE-CZ 3.96Å; M88-F215 HydrophobicContact CG-CE1 3.84Å; M88-F215 HydrophobicContact CG-CE2 4.44Å; M88-F215 HydrophobicContact CG-CZ 3.61Å; S211-F215 PolarHBondContact O-N 2.82Å; L212-F215 HydrophobicContact CD1-CB 4.27Å; L212-F215 HydrophobicContact CD1-CD1 4.46Å; L212-F215 WeakPolarHBondContact O-CB 3.26Å; L212-F215 PolarHBondContact O-N 3.36Å; A213-F215 VanDerWaalsContact C-N 3.34Å; A213-F215 PolarHBondContact O-N 3.39Å; F215-F217 VanDerWaalsContact C-N 3.28Å; F215-F217 PolarHBondContact O-N 2.89Å; F215-G218 PolarHBondContact O-N 3.25Å; F215-C219 HydrophobicContact CE1-CB 4.48Å; F215-C219 VanDerWaalsContact CE2-SG 3.51Å; F215-C219 HydrophobicContact CZ-CB 4.42Å; F215-C219 WeakPolarHBondContact O-CB 3.3Å; F215-C219 PolarHBondContact O-N 2.8Å; F215-I221 HydrophobicContact CE1-CD1 4.47Å; F215-V465 HydrophobicContact CE2-CG1 4.28Å; F215-V465 HydrophobicContact CZ-CG1 4.29Å; F215-N468 HydrophobicContact CD2-CB 4.13Å; F215-N468 HydrophobicContact CE2-CB 4.27Å; F215-L469 HydrophobicContact CD2-CD2 3.99Å; F215-L469 HydrophobicContact CE2-CD2 3.49Å; F215-L469 VanDerWaalsContact CE2-CD2 3.49Å; F215-L469 HydrophobicContact CE2-CG 4.26Å; F215-L469 HydrophobicContact CZ-CD2 4.2Å; F215-I472 HydrophobicContact CB-CD1 3.91Å; F215-I472 HydrophobicContact CB-CG2 3.79Å; F215-I472 HydrophobicContact CD2-CD1 3.9Å; F215-I472 HydrophobicContact CG-CD1 4.12Å
216	T	98.2	Very high	95.7	Very high	7 Å²	7	14.8 Å²	14.8	4%	0.043	8%	0.077	C	C	.	.	H	α-helix	trans	-54.5	-46.4	-178.4	-55.4	0	0	0	0	111	Y132 L212 A213 S214 G220 I221	Y132-T216 HydrophobicContact CD1-CG2 3.7Å; Y132-T216 HydrophobicContact CG-CG2 3.93Å; L212-T216 WeakPolarHBondContact O-CB 3.42Å; L212-T216 PolarHBondContact O-N 2.77Å; L212-T216 PolarHBondContact O-OG1 3.01Å; A213-T216 WeakPolarHBondContact O-CB 3.39Å; A213-T216 PolarHBondContact O-N 3.19Å; S214-T216 VanDerWaalsContact C-N 3.34Å; S214-T216 PolarHBondContact O-N 3.48Å; T216-G220 PolarHBondContact O-N 2.94Å; T216-I221 HydrophobicContact CG2-CB 3.79Å; T216-I221 HydrophobicContact CG2-CG1 4.19Å; T216-I221 HydrophobicContact CG2-CG2 4.34Å; T216-I221 WeakPolarHBondContact O-CG1 3.35Å; T216-I221 PolarHBondContact O-N 2.85Å
217	F	97.9	Very high	94.8	Very high	26 Å²	26	15.3 Å²	15.3	11%	0.114	8%	0.08	C	C	.	.	H	α-helix	trans	-76.9	-42.3	178	-73.9	-73.1	0	0	0	113	F51 H128 C130 A213 S214 F215 C219 G220 P444 E445 V447	F51-F217 VanDerWaalsContact CE2-O 3.29Å; F51-F217 WeakPolarHBondContact CE2-O 3.34Å; H128-F217 WeakPolarHBondContact O-CE2 3.38Å; C130-F217 HydrophobicContact CB-CE2 3.84Å; C130-F217 HydrophobicContact CB-CZ 4.43Å; A213-F217 WeakPolarHBondContact O-CD2 3.22Å; A213-F217 PolarHBondContact O-N 2.57Å; A213-F217 VanDerWaalsContact O-N 3.1Å; S214-F217 PolarHBondContact O-N 3.24Å; F215-F217 VanDerWaalsContact C-N 3.28Å; F215-F217 PolarHBondContact O-N 2.89Å; F217-C219 VanDerWaalsContact C-N 3.29Å; F217-C219 PolarHBondContact O-N 3.38Å; F217-G220 PolarHBondContact O-N 3.29Å; F217-P444 HydrophobicContact CB-CB 3.95Å; F217-P444 WeakPolarHBondContact CB-O 3.45Å; F217-P444 HydrophobicContact CD2-CB 3.72Å; F217-P444 HydrophobicContact CD2-CG 4.28Å; F217-P444 HydrophobicContact CG-CB 4.13Å; F217-P444 WeakPolarHBondContact CG-O 3.34Å; F217-E445 HydrophobicContact CE1-CB 4.37Å; F217-E445 HydrophobicContact CE2-CB 4.33Å; F217-E445 HydrophobicContact CZ-CB 4Å; F217-V447 HydrophobicContact CB-CB 4.24Å; F217-V447 HydrophobicContact CB-CG2 4.37Å
218	G	97.8	Very high	93.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.2	-36.9	179.5	0	0	0	0	0	113.6	F51 S214 F215 Y436 Y452 N468	F51-G218 WeakPolarHBondContact CD2-O 3.35Å; F51-G218 WeakPolarHBondContact CE2-O 3.43Å; S214-G218 PolarHBondContact O-N 3.37Å; F215-G218 PolarHBondContact O-N 3.25Å; G218-Y436 PolarHBondContact O-OH 2.58Å; G218-Y452 WeakPolarHBondContact O-CD2 3.41Å; G218-N468 WeakPolarHBondContact CA-OD1 3.22Å
219	C	98	Very high	92.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	3.1	175.8	-67.5	0	0	0	0	113.7	S49 F51 V87 F215 F217 I221	S49-C219 WeakPolarHBondContact CB-O 3.42Å; S49-C219 PolarHBondContact OG-O 3.2Å; F51-C219 VanDerWaalsContact CD2-C 3.5Å; V87-C219 HydrophobicContact CG1-CB 4.03Å; F215-C219 HydrophobicContact CE1-CB 4.48Å; F215-C219 VanDerWaalsContact CE2-SG 3.51Å; F215-C219 HydrophobicContact CZ-CB 4.42Å; F215-C219 WeakPolarHBondContact O-CB 3.3Å; F215-C219 PolarHBondContact O-N 2.8Å; F217-C219 VanDerWaalsContact C-N 3.29Å; F217-C219 PolarHBondContact O-N 3.38Å; C219-I221 VanDerWaalsContact C-N 3.33Å; C219-I221 HydrophobicContact CB-CD1 3.96Å; C219-I221 HydrophobicContact CB-CG1 4.3Å; C219-I221 PolarHBondContact O-N 3.11Å
220	G	96.4	Very high	91.6	Very high	7 Å²	7	23.9 Å²	23.9	7%	0.072	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	39.2	176.2	0	0	0	0	0	113.5	S49 R50 F51 T216 F217 S222	S49-G220 WeakPolarHBondContact CA-O 3.34Å; R50-G220 PolarHBondContact N-O 3.16Å; F51-G220 VanDerWaalsContact CD2-N 3.33Å; F51-G220 VanDerWaalsContact CE2-N 3.28Å; T216-G220 PolarHBondContact O-N 2.94Å; F217-G220 PolarHBondContact O-N 3.29Å; G220-S222 PolarHBondContact O-N 3.09Å
221	I	96.4	Very high	90.9	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.036	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-56.6	132	-174.2	-59.5	-59.5	0	0	0	111.1	P48 N83 I84 V87 Y132 F215 T216 C219	P48-I221 WeakPolarHBondContact O-CA 3.43Å; N83-I221 HydrophobicContact CB-CG2 3.69Å; I84-I221 HydrophobicContact CG1-CG1 4.23Å; I84-I221 HydrophobicContact CG1-CG2 4.27Å; V87-I221 HydrophobicContact CB-CD1 3.81Å; V87-I221 HydrophobicContact CG1-CD1 4.24Å; V87-I221 HydrophobicContact CG2-CD1 3.47Å; V87-I221 VanDerWaalsContact CG2-CD1 3.47Å; Y132-I221 HydrophobicContact CD1-CG2 4.34Å; Y132-I221 HydrophobicContact CD2-CG2 4.06Å; Y132-I221 HydrophobicContact CE1-CG2 4.02Å; Y132-I221 HydrophobicContact CE2-CG2 3.71Å; Y132-I221 HydrophobicContact CG-CG2 4.36Å; F215-I221 HydrophobicContact CE1-CD1 4.47Å; T216-I221 HydrophobicContact CG2-CB 3.79Å; T216-I221 HydrophobicContact CG2-CG1 4.19Å; T216-I221 HydrophobicContact CG2-CG2 4.34Å; T216-I221 WeakPolarHBondContact O-CG1 3.35Å; T216-I221 PolarHBondContact O-N 2.85Å; C219-I221 VanDerWaalsContact C-N 3.33Å; C219-I221 HydrophobicContact CB-CD1 3.96Å; C219-I221 HydrophobicContact CB-CG1 4.3Å; C219-I221 PolarHBondContact O-N 3.11Å
222	S	93.7	Very high	90.1	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.021	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-77.2	145.6	177.7	-67.6	0	0	0	0	110.9	G47 P48 N83 Y132 G220	G47-S222 VanDerWaalsContact O-CB 3.23Å; G47-S222 WeakPolarHBondContact O-CB 3.48Å; G47-S222 PolarHBondContact O-OG 3.16Å; P48-S222 PolarHBondContact O-N 3.13Å; N83-S222 PolarHBondContact ND2-O 3.48Å; Y132-S222 WeakPolarHBondContact CD2-O 3.38Å; Y132-S222 VanDerWaalsContact CE2-O 3.24Å; Y132-S222 WeakPolarHBondContact CE2-O 3.36Å; G220-S222 PolarHBondContact O-N 3.09Å
223	P	90.9	Very high	89.3	Confident	37 Å²	37	32 Å²	32	24%	0.24	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-55.8	142.2	168.2	-21.5	34.4	0	0	0	111
224	E	89.1	Confident	88.3	Confident	12 Å²	12	41.5 Å²	41.5	6%	0.056	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-58.1	143.3	172.2	-63.7	-54.8	139.9	0	0	110.7	N83 Y132 L136 H226 C227 G230	N83-E224 WeakPolarHBondContact CB-OE1 3.45Å; N83-E224 PolarHBondContact N-OE1 3.07Å; N83-E224 PolarHBondContact ND2-OE1 3Å; Y132-E224 HydrophobicContact CE2-CG 3.93Å; Y132-E224 VanDerWaalsContact CE2-OE1 3.3Å; Y132-E224 WeakPolarHBondContact CE2-OE1 3.35Å; Y132-E224 PolarHBondContact OH-OE1 3.41Å; L136-E224 HydrophobicContact CD2-CG 3.72Å; E224-H226 VanDerWaalsContact CB-CE1 3.44Å; E224-H226 WeakPolarHBondContact CB-CE1 3.5Å; E224-H226 PolarHBondContact O-N 3.02Å; E224-H226 VanDerWaalsContact O-N 3.09Å; E224-C227 HydrophobicContact CB-CB 4.13Å; E224-C227 WeakPolarHBondContact O-CB 3.36Å; E224-C227 PolarHBondContact O-N 3.37Å; E224-G230 WeakPolarHBondContact O-CA 3.49Å
225	I	84.4	Confident	87	Confident	101 Å²	101	46.8 Å²	46.8	52%	0.518	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-33.3	-176.9	-169.3	170	0	0	0	112.9	P43 H231	P43-I225 HydrophobicContact CB-CD1 4.41Å; P43-I225 HydrophobicContact CG-CD1 3.89Å; I225-H231 PolarHBondContact O-ND1 3.31Å
226	H	79.5	Confident	85.4	Confident	100 Å²	100	51.5 Å²	51.5	46%	0.463	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-7.9	180	58.4	-86.5	0	0	0	113.6	E224	E224-H226 VanDerWaalsContact CB-CE1 3.44Å; E224-H226 WeakPolarHBondContact CB-CE1 3.5Å; E224-H226 PolarHBondContact O-N 3.02Å; E224-H226 VanDerWaalsContact O-N 3.09Å
227	C	81.6	Confident	83.6	Confident	10 Å²	10	53.5 Å²	53.5	7%	0.068	29%	0.291	C	S	.	.	S	Bend	trans	-95.4	162.8	178.2	-69.7	0	0	0	0	112	E224 G229 G230	E224-C227 HydrophobicContact CB-CB 4.13Å; E224-C227 WeakPolarHBondContact O-CB 3.36Å; E224-C227 PolarHBondContact O-N 3.37Å; C227-G229 PolarHBondContact O-N 3.23Å; C227-G230 PolarHBondContact O-N 3.02Å
228	D	72.3	Confident	81.7	Confident	136 Å²	136	59.8 Å²	59.8	73%	0.727	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	130.4	172.8	-71.9	-19.7	0	0	0	111.2	G230	D228-G230 VanDerWaalsContact C-N 3.26Å; D228-G230 PolarHBondContact O-N 3.38Å
229	G	76	Confident	79.5	Confident	44 Å²	44	63 Å²	63	45%	0.454	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-7.1	-175	0	0	0	0	0	114.9	L44 C227	L44-G229 WeakPolarHBondContact CB-O 3.45Å; L44-G229 WeakPolarHBondContact CD1-O 3.42Å; C227-G229 PolarHBondContact O-N 3.23Å
230	G	80.1	Confident	77	Confident	4 Å²	4	70.1 Å²	70.1	4%	0.041	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-26.9	172.2	0	0	0	0	0	113.7	P43 L44 E224 C227 D228	P43-G230 WeakPolarHBondContact CA-O 3.25Å; L44-G230 PolarHBondContact N-O 2.95Å; E224-G230 WeakPolarHBondContact O-CA 3.49Å; C227-G230 PolarHBondContact O-N 3.02Å; D228-G230 VanDerWaalsContact C-N 3.26Å; D228-G230 PolarHBondContact O-N 3.38Å
231	H	83.2	Confident	74.4	Confident	48 Å²	48	77.8 Å²	77.8	22%	0.222	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	165	-179.5	67.8	-82.3	0	0	0	113.7	P41 R42 L44 I225 F233	P41-H231 HydrophobicContact CB-CB 4.05Å; R42-H231 CarbonylContact O-C 3.47Å; R42-H231 WeakPolarHBondContact O-CA 3.41Å; L44-H231 WeakPolarHBondContact CD1-O 3.13Å; I225-H231 PolarHBondContact O-ND1 3.31Å; H231-F233 AromaticContact CD2-CE2 3.6Å; H231-F233 AromaticContact NE2-CE2 3.47Å; H231-F233 WeakPolarHBondContact NE2-CE2 3.21Å; H231-F233 AromaticContact NE2-CZ 3.99Å
232	T	81.9	Confident	72.1	Confident	23 Å²	23	79 Å²	79	14%	0.141	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	142.9	171.5	-169	0	0	0	0	111.3	R42 L44 R234	R42-T232 HydrophobicContact CB-CG2 4.23Å; R42-T232 PolarHBondContact N-O 3.5Å; R42-T232 PolarHBondContact O-N 2.89Å; L44-T232 HydrophobicContact CD2-CG2 3.61Å; L44-T232 HydrophobicContact CG-CG2 4.16Å; T232-R234 VanDerWaalsContact C-N 3.34Å; T232-R234 WeakPolarHBondContact OG1-CB 3.35Å; T232-R234 PolarHBondContact OG1-N 3.37Å; T232-R234 VanDerWaalsContact OG1-N 3.16Å
233	F	83.2	Confident	69.7	Low	108 Å²	108	85.6 Å²	85.6	47%	0.474	46%	0.461	S	S	.	.			trans	-91.6	2.4	168.2	-62.9	-82.3	0	0	0	112.4	R39 P41 H231	R39-F233 HydrophobicContact CB-CD1 3.76Å; R39-F233 HydrophobicContact CB-CE1 4.4Å; R39-F233 WeakPolarHBondContact O-CE1 3.34Å; P41-F233 HydrophobicContact CB-CD1 4.16Å; P41-F233 HydrophobicContact CB-CE1 3.77Å; P41-F233 HydrophobicContact CB-CZ 4.05Å; P41-F233 HydrophobicContact CG-CE1 4.17Å; H231-F233 AromaticContact CD2-CE2 3.6Å; H231-F233 AromaticContact NE2-CE2 3.47Å; H231-F233 WeakPolarHBondContact NE2-CE2 3.21Å; H231-F233 AromaticContact NE2-CZ 3.99Å
234	R	76.8	Confident	67.6	Low	199 Å²	199	85.5 Å²	85.5	75%	0.751	46%	0.461	S	S	*	.	S	Bend	trans	-71	133.4	176.5	-67.6	-176.3	-178.6	167.9	1.9	109.3	T232	T232-R234 VanDerWaalsContact C-N 3.34Å; T232-R234 WeakPolarHBondContact OG1-CB 3.35Å; T232-R234 PolarHBondContact OG1-N 3.37Å; T232-R234 VanDerWaalsContact OG1-N 3.16Å
235	P	70.5	Confident	65.4	Low	111 Å²	111	88 Å²	88	72%	0.721	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-60.5	150.2	173.5	24.5	-31.2	0	0	0	110.1	S237	P235-S237 PolarHBondContact O-N 3.03Å
236	P	65.6	Low	63.3	Low	98 Å²	98	89.1 Å²	89.1	64%	0.636	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-53.5	132.1	171.7	-20	30.5	0	0	0	109.6	V238	P236-V238 PolarHBondContact O-N 3.44Å
237	S	61	Low	61.5	Low	50 Å²	50	89.6 Å²	89.6	35%	0.35	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-62.1	138.1	172.8	49	0	0	0	0	109.4	P235 S239 Y241 C242	P235-S237 PolarHBondContact O-N 3.03Å; S237-S239 CarbonylContact C-O 3.32Å; S237-S239 VanDerWaalsContact C-O 3.32Å; S237-S239 VanDerWaalsContact CB-O 3.31Å; S237-S239 WeakPolarHBondContact CB-O 3.24Å; S237-S239 CarbonylContact O-C 3.47Å; S237-S239 PolarHBondContact O-N 3.37Å; S237-S239 PolarHBondContact OG-O 2.5Å; S237-Y241 PolarHBondContact OG-O 2.8Å; S237-C242 PolarHBondContact OG-N 3.47Å
238	V	56.7	Low	59.5	Low	158 Å²	158	91.4 Å²	91.4	96%	0.958	50%	0.5	S	S	*	.	S	Bend	trans	-67.1	-23.6	179.4	-161.2	0	0	0	0	111.3	P236	P236-V238 PolarHBondContact O-N 3.44Å
239	S	52	Low	57.7	Low	66 Å²	66	87.3 Å²	87.3	46%	0.462	49%	0.49	S	S	.	.	S	Bend	trans	-80.6	132.2	158.6	53.4	0	0	0	0	108.3	S237 Y241	S237-S239 CarbonylContact C-O 3.32Å; S237-S239 VanDerWaalsContact C-O 3.32Å; S237-S239 VanDerWaalsContact CB-O 3.31Å; S237-S239 WeakPolarHBondContact CB-O 3.24Å; S237-S239 CarbonylContact O-C 3.47Å; S237-S239 PolarHBondContact O-N 3.37Å; S237-S239 PolarHBondContact OG-O 2.5Å; S239-Y241 PolarHBondContact O-N 3.16Å
240	N	45.8	Very low	55.7	Low	151 Å²	151	87.7 Å²	87.7	81%	0.807	48%	0.482	S	S	*	.	S	Bend	trans	-59.1	21.6	169.3	-79.3	-8.6	0	0	0	114.4
241	Y	42.6	Very low	53.4	Low	168 Å²	168	95.5 Å²	95.5	66%	0.659	52%	0.517	S	S	*	.			trans	-121.4	90.4	177	-64.7	-80.8	0	0	0	107.9	S237 S239	S237-Y241 PolarHBondContact OG-O 2.8Å; S239-Y241 PolarHBondContact O-N 3.16Å
242	C	46.6	Very low	51.1	Low	33 Å²	33	97.6 Å²	97.6	22%	0.223	54%	0.537	C	S	.	.			trans	-78.3	135	154.7	-177.1	0	0	0	0	107.2	S237 C244 D245	S237-C242 PolarHBondContact OG-N 3.47Å; C242-C244 HydrophobicContact CB-CB 4.35Å; C242-C244 WeakPolarHBondContact CB-SG 3.18Å; C242-C244 PolarHBondContact O-N 3.23Å; C242-C244 WeakPolarHBondContact SG-CB 3.46Å; C242-C244 PolarHBondContact SG-N 2.92Å; C242-C244 CovalentContact SG-SG 2.06Å; C242-C244 PolarHBondContact SG-SG 3.07Å; C242-D245 VanDerWaalsContact CB-OD2 3.26Å; C242-D245 WeakPolarHBondContact CB-OD2 3.44Å; C242-D245 PolarHBondContact N-OD2 3.46Å; C242-D245 WeakPolarHBondContact O-CB 3.48Å; C242-D245 PolarHBondContact O-N 3.04Å
243	I	44.4	Very low	48.9	Very low	140 Å²	140	102.4 Å²	102.4	72%	0.718	57%	0.566	S	S	*	*	H	α-helix	trans	-55.4	-24.8	169.9	-70.2	166.1	0	0	0	111.4	D245 I246	I243-D245 VanDerWaalsContact C-N 3.33Å; I243-I246 WeakPolarHBondContact O-CB 3.21Å; I243-I246 PolarHBondContact O-N 3.35Å
244	C	46.9	Very low	46.7	Very low	35 Å²	35	104.5 Å²	104.5	24%	0.236	58%	0.582	C	S	.	*	H	α-helix	trans	-67.7	-27.5	173.2	61.5	0	0	0	0	114.2	C242 T247 N248	C242-C244 HydrophobicContact CB-CB 4.35Å; C242-C244 WeakPolarHBondContact CB-SG 3.18Å; C242-C244 PolarHBondContact O-N 3.23Å; C242-C244 WeakPolarHBondContact SG-CB 3.46Å; C242-C244 PolarHBondContact SG-N 2.92Å; C242-C244 CovalentContact SG-SG 2.06Å; C242-C244 PolarHBondContact SG-SG 3.07Å; C244-T247 PolarHBondContact O-OG1 3.32Å; C244-N248 PolarHBondContact O-N 3.32Å
245	D	41.9	Very low	44.7	Very low	64 Å²	64	104 Å²	104	34%	0.342	59%	0.588	S	S	.	*	H	α-helix	trans	-73.1	-32.5	176.3	-58.5	-34.7	0	0	0	110.7	C242 I243 T247 N248 G249	C242-D245 VanDerWaalsContact CB-OD2 3.26Å; C242-D245 WeakPolarHBondContact CB-OD2 3.44Å; C242-D245 PolarHBondContact N-OD2 3.46Å; C242-D245 WeakPolarHBondContact O-CB 3.48Å; C242-D245 PolarHBondContact O-N 3.04Å; I243-D245 VanDerWaalsContact C-N 3.33Å; D245-T247 VanDerWaalsContact C-N 3.33Å; D245-T247 PolarHBondContact O-N 3.29Å; D245-N248 PolarHBondContact O-N 3.11Å; D245-G249 PolarHBondContact O-N 3.25Å
246	I	41.9	Very low	42.9	Very low	125 Å²	125	106.6 Å²	106.6	64%	0.641	59%	0.593	S	S	*	*	H	α-helix	trans	-63.5	-39.8	177.1	-54.9	176.8	0	0	0	110.8	I243	I243-I246 WeakPolarHBondContact O-CB 3.21Å; I243-I246 PolarHBondContact O-N 3.35Å
247	T	40.2	Very low	41.5	Very low	111 Å²	111	106.6 Å²	106.6	68%	0.681	59%	0.593	S	S	*	*	H	α-helix	trans	-79.6	-19.7	-179.4	52.1	0	0	0	0	114	C244 D245	C244-T247 PolarHBondContact O-OG1 3.32Å; D245-T247 VanDerWaalsContact C-N 3.33Å; D245-T247 PolarHBondContact O-N 3.29Å
248	N	41	Very low	40.2	Very low	47 Å²	47	111.2 Å²	111.2	25%	0.251	62%	0.618	S	S	.	*	H	α-helix	trans	-103.7	4.6	-177.1	-91.2	-13.8	0	0	0	114.4	R50 C244 D245 N250	R50-N248 PolarHBondContact NH1-OD1 3.45Å; C244-N248 PolarHBondContact O-N 3.32Å; D245-N248 PolarHBondContact O-N 3.11Å; N248-N250 PolarHBondContact O-N 3.48Å
249	G	32.9	Very low	39	Very low	51 Å²	51	110.5 Å²	110.5	53%	0.526	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	61.8	20.7	167.4	0	0	0	0	0	115.6	D245 H251	D245-G249 PolarHBondContact O-N 3.25Å; G249-H251 PolarHBondContact O-N 3.16Å
250	N	34.7	Very low	38.7	Very low	52 Å²	52	112.6 Å²	112.6	28%	0.278	62%	0.624	S	S	.	*			trans	-92.2	82	178.3	-83.1	-1.1	0	0	0	110.3	N248	N248-N250 PolarHBondContact O-N 3.48Å
251	H	32.4	Very low	38.6	Very low	168 Å²	168	109.6 Å²	109.6	78%	0.778	62%	0.62	S	S	*	*			trans	-88.7	94.7	156.8	-108.5	-70.9	0	0	0	108.3	G249 V253	G249-H251 PolarHBondContact O-N 3.16Å; H251-V253 PolarHBondContact O-N 2.7Å
252	S	34.3	Very low	38.5	Very low	92 Å²	92	110.2 Å²	110.2	64%	0.643	63%	0.629	S	S	*	*			trans	-73.3	117.6	154.1	51.5	0	0	0	0	107.4	D254	S252-D254 PolarHBondContact O-N 3.15Å
253	V	36.1	Very low	38.1	Very low	124 Å²	124	116.3 Å²	116.3	75%	0.752	66%	0.66	S	S	*	*			trans	-58.4	115.5	-179.9	-168.2	0	0	0	0	109.3	H251	H251-V253 PolarHBondContact O-N 2.7Å
254	D	36.9	Very low	38.2	Very low	152 Å²	152	115.6 Å²	115.6	81%	0.813	66%	0.661	S	S	*	*			trans	-75.7	123.2	152.5	-125.7	-13.3	0	0	0	105.6	S252 M256	S252-D254 PolarHBondContact O-N 3.15Å; D254-M256 PolarHBondContact O-N 3.22Å
255	E	34.3	Very low	38.4	Very low	187 Å²	187	115.5 Å²	115.5	87%	0.874	66%	0.661	S	S	*	*			trans	-53	94.5	-175.1	-64.2	178.3	157.1	0	0	111.6
256	M	32.8	Very low	39	Very low	166 Å²	166	117.2 Å²	117.2	82%	0.818	67%	0.674	S	S	*	*			trans	-104	133.6	156.9	-78.3	-131.5	108.2	0	0	108.3	D254 V258	D254-M256 PolarHBondContact O-N 3.22Å; M256-V258 PolarHBondContact O-N 3.01Å
257	P	35.8	Very low	39.9	Very low	98 Å²	98	114.4 Å²	114.4	64%	0.636	67%	0.665	S	S	*	*			trans	-64.9	136	-166.9	27.2	-32.7	0	0	0	109.3	N259	P257-N259 VanDerWaalsContact C-N 3.31Å; P257-N259 PolarHBondContact O-N 2.84Å
258	V	33.6	Very low	41.2	Very low	147 Å²	147	113.4 Å²	113.4	89%	0.891	66%	0.655	S	S	*	*			trans	-49.4	90.4	-178.4	-161.4	0	0	0	0	109.8	M256 S260	M256-V258 PolarHBondContact O-N 3.01Å; V258-S260 VanDerWaalsContact C-N 3.31Å; V258-S260 PolarHBondContact O-N 3.34Å
259	N	32.7	Very low	42.5	Very low	144 Å²	144	111.7 Å²	111.7	77%	0.77	65%	0.648	S	S	*	*			trans	-75.7	95	169.6	-83	-27.3	0	0	0	106.6	P257 A261	P257-N259 VanDerWaalsContact C-N 3.31Å; P257-N259 PolarHBondContact O-N 2.84Å; N259-A261 PolarHBondContact O-N 3.42Å
260	S	45.4	Very low	44.6	Very low	110 Å²	110	112.9 Å²	112.9	77%	0.769	64%	0.638	S	S	*	*	S	Bend	trans	-20.1	94	158.4	48.9	0	0	0	0	114.5	V258	V258-S260 VanDerWaalsContact C-N 3.31Å; V258-S260 PolarHBondContact O-N 3.34Å
261	A	43.7	Very low	47	Very low	88 Å²	88	116.1 Å²	116.1	73%	0.727	65%	0.65	S	S	*	*			trans	-162.3	0.1	160.9	0	0	0	0	0	115.7	N259	N259-A261 PolarHBondContact O-N 3.42Å
262	E	40.4	Very low	49.6	Very low	181 Å²	181	113.2 Å²	113.2	85%	0.846	64%	0.637	S	S	*	*			trans	-111.2	53.7	169.4	-72.8	-174.5	170.4	0	0	111	V264	E262-V264 PolarHBondContact O-N 2.97Å
263	N	38.7	Very low	52.3	Low	161 Å²	161	109.1 Å²	109.1	86%	0.861	61%	0.608	S	S	*	*			trans	-75	37.1	156.5	-82.3	-11.3	0	0	0	110.7	S265	N263-S265 PolarHBondContact O-N 3.19Å
264	V	45	Very low	54.9	Low	124 Å²	124	107.8 Å²	107.8	75%	0.752	59%	0.593	S	S	*	*	S	Bend	trans	-74.8	77.2	162.5	-174.8	0	0	0	0	106.2	E262 V266	E262-V264 PolarHBondContact O-N 2.97Å; V264-V266 PolarHBondContact O-N 3.3Å
265	S	51.7	Low	57.6	Low	34 Å²	34	102.9 Å²	102.9	24%	0.238	57%	0.574	C	S	.	*			trans	38.2	71.7	155.6	61.4	0	0	0	0	117.3	N263 S267 D268 S269	N263-S265 PolarHBondContact O-N 3.19Å; S265-S267 PolarHBondContact O-N 3.31Å; S265-S267 VanDerWaalsContact O-N 3.14Å; S265-D268 WeakPolarHBondContact CB-OD2 3.29Å; S265-D268 PolarHBondContact O-N 2.86Å; S265-D268 VanDerWaalsContact OG-CB 3.26Å; S265-D268 WeakPolarHBondContact OG-CB 3.21Å; S265-D268 PolarHBondContact OG-OD2 2.82Å; S265-S269 PolarHBondContact O-N 3.45Å
266	V	54.6	Low	60.4	Low	99 Å²	99	94.7 Å²	94.7	60%	0.6	54%	0.536	S	S	*	.	H	α-helix	trans	-42.9	-42.3	149.7	174.2	0	0	0	0	109.5	V264 D268 S269 F270	V264-V266 PolarHBondContact O-N 3.3Å; V266-D268 PolarHBondContact O-N 3.01Å; V266-S269 PolarHBondContact O-N 3.15Å; V266-S269 PolarHBondContact O-OG 3.38Å; V266-F270 HydrophobicContact CG1-CD2 3.83Å; V266-F270 HydrophobicContact CG1-CE2 3.5Å; V266-F270 WeakPolarHBondContact O-CD2 3.33Å; V266-F270 PolarHBondContact O-N 3.47Å
267	S	61.3	Low	63.3	Low	66 Å²	66	88.6 Å²	88.6	46%	0.462	51%	0.506	S	S	.	.	H	α-helix	trans	-54.2	-41.6	174.1	-162.2	0	0	0	0	114.8	S265 F270 F271	S265-S267 PolarHBondContact O-N 3.31Å; S265-S267 VanDerWaalsContact O-N 3.14Å; S267-F270 PolarHBondContact O-N 2.78Å; S267-F271 WeakPolarHBondContact O-CD2 3.36Å; S267-F271 WeakPolarHBondContact O-CE2 3.48Å; S267-F271 PolarHBondContact O-N 3.33Å; S267-F271 WeakPolarHBondContact OG-CE2 3.48Å
268	D	67.7	Low	66.1	Low	90 Å²	90	87.3 Å²	87.3	48%	0.481	49%	0.492	S	S	.	.	H	α-helix	trans	-69.2	-39.8	-175.8	-70.7	-10.5	0	0	0	110.7	S265 V266 F270 F271 E272	S265-D268 WeakPolarHBondContact CB-OD2 3.29Å; S265-D268 PolarHBondContact O-N 2.86Å; S265-D268 VanDerWaalsContact OG-CB 3.26Å; S265-D268 WeakPolarHBondContact OG-CB 3.21Å; S265-D268 PolarHBondContact OG-OD2 2.82Å; V266-D268 PolarHBondContact O-N 3.01Å; D268-F270 VanDerWaalsContact C-N 3.31Å; D268-F270 PolarHBondContact O-N 3.01Å; D268-F271 WeakPolarHBondContact O-CB 2.88Å; D268-F271 PolarHBondContact O-N 3.41Å; D268-F271 VanDerWaalsContact O-N 3.16Å; D268-E272 PolarHBondContact O-N 3.4Å; D268-E272 VanDerWaalsContact O-N 3.11Å
269	S	67.7	Low	69	Low	12 Å²	12	84.1 Å²	84.1	8%	0.084	47%	0.466	C	S	.	.	H	α-helix	trans	-69.1	-26.7	177.6	66.2	0	0	0	0	114	S265 V266 E272 Q458	S265-S269 PolarHBondContact O-N 3.45Å; V266-S269 PolarHBondContact O-N 3.15Å; V266-S269 PolarHBondContact O-OG 3.38Å; S269-E272 PolarHBondContact O-N 3.32Å; S269-Q458 PolarHBondContact OG-NE2 2.92Å
270	F	77.3	Confident	71.9	Confident	76 Å²	76	77.8 Å²	77.8	33%	0.333	43%	0.432	S	S	.	.	H	α-helix	trans	-66.6	-43.4	169.7	-86.2	-78	0	0	0	110.7	V266 S267 D268 E272 V273 E274 M392	V266-F270 HydrophobicContact CG1-CD2 3.83Å; V266-F270 HydrophobicContact CG1-CE2 3.5Å; V266-F270 WeakPolarHBondContact O-CD2 3.33Å; V266-F270 PolarHBondContact O-N 3.47Å; S267-F270 PolarHBondContact O-N 2.78Å; D268-F270 VanDerWaalsContact C-N 3.31Å; D268-F270 PolarHBondContact O-N 3.01Å; F270-E272 PolarHBondContact O-N 3.25Å; F270-V273 PolarHBondContact O-N 3.37Å; F270-E274 PolarHBondContact O-N 3.22Å; F270-M392 HydrophobicContact CD1-CE 3.54Å; F270-M392 HydrophobicContact CD1-SD 3.9Å; F270-M392 HydrophobicContact CE1-CE 3.95Å; F270-M392 HydrophobicContact CE1-CG 4.18Å; F270-M392 HydrophobicContact CE1-SD 3.66Å
271	F	83.7	Confident	74.2	Confident	120 Å²	120	78 Å²	78	53%	0.526	42%	0.416	S	S	.	.	H	α-helix	trans	-63.6	-28.7	176.7	-67	-59.9	0	0	0	112.9	S267 D268 A275	S267-F271 WeakPolarHBondContact O-CD2 3.36Å; S267-F271 WeakPolarHBondContact O-CE2 3.48Å; S267-F271 PolarHBondContact O-N 3.33Å; S267-F271 WeakPolarHBondContact OG-CE2 3.48Å; D268-F271 WeakPolarHBondContact O-CB 2.88Å; D268-F271 PolarHBondContact O-N 3.41Å; D268-F271 VanDerWaalsContact O-N 3.16Å; F271-A275 WeakPolarHBondContact O-CB 3.38Å; F271-A275 PolarHBondContact O-N 2.76Å
272	E	87.7	Confident	76.5	Confident	106 Å²	106	78.2 Å²	78.2	50%	0.495	40%	0.402	S	S	.	.	H	α-helix	trans	-62.9	-44.8	175.8	-71.3	173.9	-179.4	0	0	112.8	D268 S269 F270 A275 L276	D268-E272 PolarHBondContact O-N 3.4Å; D268-E272 VanDerWaalsContact O-N 3.11Å; S269-E272 PolarHBondContact O-N 3.32Å; F270-E272 PolarHBondContact O-N 3.25Å; E272-A275 PolarHBondContact O-N 3.45Å; E272-L276 WeakPolarHBondContact O-CB 3.44Å; E272-L276 PolarHBondContact O-N 2.62Å
273	V	90.3	Very high	79	Confident	7 Å²	7	71.2 Å²	71.2	4%	0.042	37%	0.37	C	S	.	.	H	α-helix	trans	-69.2	-43.4	179.7	-179.6	0	0	0	0	110.7	F270 A275 L276 M277 M390 A391 M392 Q458 F459	F270-V273 PolarHBondContact O-N 3.37Å; V273-A275 VanDerWaalsContact C-N 3.35Å; V273-A275 PolarHBondContact O-N 3.46Å; V273-L276 WeakPolarHBondContact O-CB 3.47Å; V273-L276 PolarHBondContact O-N 2.92Å; V273-M277 HydrophobicContact CG1-SD 4.3Å; V273-M277 WeakPolarHBondContact O-CG 3.33Å; V273-M277 PolarHBondContact O-N 2.94Å; V273-M390 HydrophobicContact CG1-CG 4.02Å; V273-M390 HydrophobicContact CG1-SD 4.11Å; V273-A391 HydrophobicContact CG1-CB 4.38Å; V273-A391 HydrophobicContact CG2-CB 4.41Å; V273-M392 HydrophobicContact CB-CE 3.81Å; V273-M392 HydrophobicContact CG1-CE 3.92Å; V273-M392 HydrophobicContact CG2-CE 4.25Å; V273-Q458 HydrophobicContact CG2-CB 4.14Å; V273-Q458 HydrophobicContact CG2-CG 4.49Å; V273-F459 HydrophobicContact CG2-CE2 4.27Å
274	E	92	Very high	81.4	Confident	95 Å²	95	68.1 Å²	68.1	44%	0.444	35%	0.35	S	S	.	.	H	α-helix	trans	-63.9	-40.3	176.5	-68.9	-177	165.7	0	0	111.8	F270 L276 M277 E278	F270-E274 PolarHBondContact O-N 3.22Å; E274-L276 VanDerWaalsContact C-N 3.34Å; E274-L276 PolarHBondContact O-N 3.22Å; E274-M277 PolarHBondContact O-N 3.45Å; E274-E278 WeakPolarHBondContact O-CB 3.4Å; E274-E278 PolarHBondContact O-N 2.9Å
275	A	92.5	Very high	83.6	Confident	50 Å²	50	67.4 Å²	67.4	41%	0.413	34%	0.339	S	S	.	.	H	α-helix	trans	-64.7	-37.3	174.9	0	0	0	0	0	112.1	F271 E272 V273 E278 K279	F271-A275 WeakPolarHBondContact O-CB 3.38Å; F271-A275 PolarHBondContact O-N 2.76Å; E272-A275 PolarHBondContact O-N 3.45Å; V273-A275 VanDerWaalsContact C-N 3.35Å; V273-A275 PolarHBondContact O-N 3.46Å; A275-E278 PolarHBondContact O-N 3.37Å; A275-K279 WeakPolarHBondContact O-CB 3.32Å; A275-K279 VanDerWaalsContact O-CG 3.3Å; A275-K279 WeakPolarHBondContact O-CG 3.24Å; A275-K279 PolarHBondContact O-N 2.85Å
276	L	93.7	Very high	85.3	Confident	14 Å²	14	69.3 Å²	69.3	7%	0.073	35%	0.351	C	S	.	.	H	α-helix	trans	-63.6	-46.4	173.4	178	60.8	0	0	0	111.2	E272 V273 E274 E278 K279 M280 M390 L401 L428 W456	E272-L276 WeakPolarHBondContact O-CB 3.44Å; E272-L276 PolarHBondContact O-N 2.62Å; V273-L276 WeakPolarHBondContact O-CB 3.47Å; V273-L276 PolarHBondContact O-N 2.92Å; E274-L276 VanDerWaalsContact C-N 3.34Å; E274-L276 PolarHBondContact O-N 3.22Å; L276-E278 VanDerWaalsContact C-N 3.33Å; L276-E278 PolarHBondContact O-N 3.49Å; L276-K279 PolarHBondContact O-N 3.25Å; L276-M280 HydrophobicContact CG-SD 4.27Å; L276-M280 WeakPolarHBondContact O-CG 3.48Å; L276-M280 PolarHBondContact O-N 3.13Å; L276-M390 HydrophobicContact CD2-CE 4.39Å; L276-M390 HydrophobicContact CD2-SD 4.03Å; L276-M390 HydrophobicContact CG-SD 4.48Å; L276-L401 HydrophobicContact CD1-CD1 4.42Å; L276-L401 HydrophobicContact CD2-CD1 4.48Å; L276-L401 HydrophobicContact CD2-CD2 4.11Å; L276-L428 HydrophobicContact CD1-CB 4.41Å; L276-L428 HydrophobicContact CD1-CD2 3.86Å; L276-L428 WeakPolarHBondContact CD1-O 3.42Å; L276-W456 HydrophobicContact CD2-CZ2 4.39Å
277	M	93.7	Very high	86.7	Confident	38 Å²	38	70.1 Å²	70.1	19%	0.187	34%	0.343	C	S	.	.	H	α-helix	trans	-62.7	-39.2	177.2	-70	175.4	60.9	0	0	112.3	V273 E274 M280 R281 M390 H393 V396	V273-M277 HydrophobicContact CG1-SD 4.3Å; V273-M277 WeakPolarHBondContact O-CG 3.33Å; V273-M277 PolarHBondContact O-N 2.94Å; E274-M277 PolarHBondContact O-N 3.45Å; M277-M280 PolarHBondContact O-N 2.96Å; M277-R281 PolarHBondContact O-N 2.93Å; M277-R281 VanDerWaalsContact O-N 3.1Å; M277-M390 HydrophobicContact CG-SD 3.82Å; M277-H393 HydrophobicContact CE-CB 4.06Å; M277-H393 HydrophobicContact SD-CB 3.96Å; M277-H393 PolarHBondContact SD-CD2 3.24Å; M277-V396 HydrophobicContact CE-CG1 4.2Å; M277-V396 HydrophobicContact CE-CG2 3.51Å; M277-V396 HydrophobicContact CG-CG1 4.38Å; M277-V396 HydrophobicContact SD-CG2 4.21Å
278	E	94.1	Very high	87.8	Confident	72 Å²	72	73.2 Å²	73.2	34%	0.336	36%	0.355	S	S	.	.	H	α-helix	trans	-63.8	-44.3	174.2	178.5	59	-158.1	0	0	111.5	E274 A275 L276 M280 R281 Q282	E274-E278 WeakPolarHBondContact O-CB 3.4Å; E274-E278 PolarHBondContact O-N 2.9Å; A275-E278 PolarHBondContact O-N 3.37Å; L276-E278 VanDerWaalsContact C-N 3.33Å; L276-E278 PolarHBondContact O-N 3.49Å; E278-M280 VanDerWaalsContact C-N 3.33Å; E278-M280 PolarHBondContact O-N 2.78Å; E278-R281 PolarHBondContact O-N 3.14Å; E278-R281 IonicContact OE2-CZ 3.84Å; E278-R281 IonicContact OE2-NE 2.87Å; E278-R281 PolarHBondContact OE2-NE 3.06Å; E278-R281 IonicContact OE2-NH2 2.64Å; E278-R281 PolarHBondContact OE2-NH2 2.88Å; E278-Q282 WeakPolarHBondContact O-CG 3.27Å; E278-Q282 PolarHBondContact O-N 3.22Å; E278-Q282 PolarHBondContact OE1-NE2 3.39Å
279	K	94.6	Very high	88.7	Confident	79 Å²	79	77 Å²	77	34%	0.343	37%	0.37	S	S	.	.	H	α-helix	trans	-60.9	-40.4	174.6	-75.4	176.7	175.3	-177.5	0	112.5	A275 L276 Q282 L283 Q427	A275-K279 WeakPolarHBondContact O-CB 3.32Å; A275-K279 VanDerWaalsContact O-CG 3.3Å; A275-K279 WeakPolarHBondContact O-CG 3.24Å; A275-K279 PolarHBondContact O-N 2.85Å; L276-K279 PolarHBondContact O-N 3.25Å; K279-Q282 PolarHBondContact O-N 3.08Å; K279-L283 WeakPolarHBondContact O-CB 3.35Å; K279-L283 VanDerWaalsContact O-CG 3.27Å; K279-L283 WeakPolarHBondContact O-CG 3.44Å; K279-L283 PolarHBondContact O-N 2.93Å; K279-Q427 WeakPolarHBondContact CD-O 3.3Å; K279-Q427 PolarHBondContact NZ-O 3.14Å
280	M	94.9	Very high	89.5	Confident	11 Å²	11	84.5 Å²	84.5	5%	0.054	40%	0.403	C	S	.	.	H	α-helix	trans	-61.2	-45.2	176.7	-71.5	170.9	64.2	0	0	111.3	L276 M277 E278 L283 Q284 M390 D397 M400 L401 L428	L276-M280 HydrophobicContact CG-SD 4.27Å; L276-M280 WeakPolarHBondContact O-CG 3.48Å; L276-M280 PolarHBondContact O-N 3.13Å; M277-M280 PolarHBondContact O-N 2.96Å; E278-M280 VanDerWaalsContact C-N 3.33Å; E278-M280 PolarHBondContact O-N 2.78Å; M280-L283 PolarHBondContact O-N 3.1Å; M280-Q284 WeakPolarHBondContact O-CB 3.46Å; M280-Q284 PolarHBondContact O-N 3.27Å; M280-M390 HydrophobicContact CE-CE 4.33Å; M280-M390 HydrophobicContact SD-CE 3.82Å; M280-D397 WeakPolarHBondContact CE-O 3.49Å; M280-M400 HydrophobicContact CE-CB 4.38Å; M280-L401 HydrophobicContact CE-CB 4.21Å; M280-L401 HydrophobicContact SD-CB 4.29Å; M280-L428 HydrophobicContact CG-CD2 3.46Å; M280-L428 VanDerWaalsContact CG-CD2 3.46Å
281	R	92.2	Very high	89.9	Confident	116 Å²	116	87.4 Å²	87.4	44%	0.438	42%	0.418	S	S	.	.	H	α-helix	trans	-60.1	-49.3	174.6	167.7	174.5	35.3	-103.4	-2.4	111.9	M277 E278 L283 Q284 E285	M277-R281 PolarHBondContact O-N 2.93Å; M277-R281 VanDerWaalsContact O-N 3.1Å; E278-R281 PolarHBondContact O-N 3.14Å; E278-R281 IonicContact OE2-CZ 3.84Å; E278-R281 IonicContact OE2-NE 2.87Å; E278-R281 PolarHBondContact OE2-NE 3.06Å; E278-R281 IonicContact OE2-NH2 2.64Å; E278-R281 PolarHBondContact OE2-NH2 2.88Å; R281-L283 PolarHBondContact O-N 3.36Å; R281-Q284 WeakPolarHBondContact O-CB 3.17Å; R281-Q284 PolarHBondContact O-N 2.87Å; R281-E285 WeakPolarHBondContact CG-OE1 3.24Å; R281-E285 WeakPolarHBondContact O-CG 3.49Å; R281-E285 PolarHBondContact O-N 3.28Å
282	Q	92.8	Very high	90.1	Very high	92 Å²	92	82.6 Å²	82.6	43%	0.43	40%	0.401	S	S	.	.	H	α-helix	trans	-61.4	-42.5	-179.8	-72.1	175.4	3.9	0	0	112.4	E278 K279 Q284 E285 C286	E278-Q282 WeakPolarHBondContact O-CG 3.27Å; E278-Q282 PolarHBondContact O-N 3.22Å; E278-Q282 PolarHBondContact OE1-NE2 3.39Å; K279-Q282 PolarHBondContact O-N 3.08Å; Q282-Q284 VanDerWaalsContact C-N 3.3Å; Q282-Q284 PolarHBondContact O-N 3.42Å; Q282-E285 PolarHBondContact O-N 2.98Å; Q282-C286 WeakPolarHBondContact O-CB 3.46Å; Q282-C286 PolarHBondContact O-N 3.02Å; Q282-C286 PolarHBondContact O-SG 3.02Å
283	L	92.1	Very high	90.3	Very high	34 Å²	34	80.6 Å²	80.6	18%	0.178	40%	0.399	C	S	.	.	H	α-helix	trans	-64.9	-37.2	177.5	-73	170.4	0	0	0	111.9	K279 M280 R281 R287 M400 E424 Q427 L428	K279-L283 WeakPolarHBondContact O-CB 3.35Å; K279-L283 VanDerWaalsContact O-CG 3.27Å; K279-L283 WeakPolarHBondContact O-CG 3.44Å; K279-L283 PolarHBondContact O-N 2.93Å; M280-L283 PolarHBondContact O-N 3.1Å; R281-L283 PolarHBondContact O-N 3.36Å; L283-R287 VanDerWaalsContact O-CB 3.29Å; L283-R287 WeakPolarHBondContact O-CB 3.45Å; L283-R287 PolarHBondContact O-N 2.96Å; L283-M400 HydrophobicContact CB-CE 3.49Å; L283-M400 VanDerWaalsContact CB-CE 3.49Å; L283-M400 HydrophobicContact CD1-CE 4.32Å; L283-E424 HydrophobicContact CD1-CB 4.45Å; L283-E424 HydrophobicContact CD1-CG 4.41Å; L283-E424 HydrophobicContact CD2-CG 4.48Å; L283-Q427 HydrophobicContact CD1-CB 3.95Å; L283-Q427 HydrophobicContact CD2-CG 4.39Å; L283-L428 HydrophobicContact CD1-CD1 4.13Å; L283-L428 HydrophobicContact CD1-CD2 3.87Å; L283-L428 HydrophobicContact CD1-CG 3.84Å
284	Q	90.1	Very high	90.4	Very high	95 Å²	95	87.3 Å²	87.3	44%	0.444	43%	0.429	S	S	.	.	H	α-helix	trans	-65.2	-46	175.8	-171.7	164.2	-6	0	0	111.6	M280 R281 Q282 R287 D288 M400	M280-Q284 WeakPolarHBondContact O-CB 3.46Å; M280-Q284 PolarHBondContact O-N 3.27Å; R281-Q284 WeakPolarHBondContact O-CB 3.17Å; R281-Q284 PolarHBondContact O-N 2.87Å; Q282-Q284 VanDerWaalsContact C-N 3.3Å; Q282-Q284 PolarHBondContact O-N 3.42Å; Q284-R287 PolarHBondContact O-N 3.11Å; Q284-D288 PolarHBondContact O-N 3.12Å; Q284-M400 HydrophobicContact CB-SD 3.93Å
285	E	90.5	Very high	90.5	Very high	109 Å²	109	90.8 Å²	90.8	51%	0.509	45%	0.445	S	S	.	.	H	α-helix	trans	-62.1	-47.2	176.2	-70.3	171.4	-175.2	0	0	111.8	R281 Q282 R287 D288 E289	R281-E285 WeakPolarHBondContact CG-OE1 3.24Å; R281-E285 WeakPolarHBondContact O-CG 3.49Å; R281-E285 PolarHBondContact O-N 3.28Å; Q282-E285 PolarHBondContact O-N 2.98Å; E285-R287 VanDerWaalsContact C-N 3.29Å; E285-R287 PolarHBondContact O-N 3.1Å; E285-D288 PolarHBondContact O-N 3.01Å; E285-E289 PolarHBondContact O-N 2.78Å
286	C	87.8	Confident	90.6	Very high	74 Å²	74	92.1 Å²	92.1	50%	0.5	44%	0.443	S	S	.	.	H	α-helix	trans	-60.2	-38.7	177.3	-72.6	0	0	0	0	112.5	Q282 D288 E289 E290	Q282-C286 WeakPolarHBondContact O-CB 3.46Å; Q282-C286 PolarHBondContact O-N 3.02Å; Q282-C286 PolarHBondContact O-SG 3.02Å; C286-D288 VanDerWaalsContact C-N 3.33Å; C286-E289 PolarHBondContact O-N 2.77Å; C286-E290 PolarHBondContact O-N 3.18Å
287	R	84.4	Confident	90.6	Very high	116 Å²	116	92.6 Å²	92.6	44%	0.438	45%	0.446	S	S	.	.	H	α-helix	trans	-66.8	-35.8	179.2	-179.8	177.9	167.5	-161.1	-6.7	112.2	L283 Q284 E285 E289	L283-R287 VanDerWaalsContact O-CB 3.29Å; L283-R287 WeakPolarHBondContact O-CB 3.45Å; L283-R287 PolarHBondContact O-N 2.96Å; Q284-R287 PolarHBondContact O-N 3.11Å; E285-R287 VanDerWaalsContact C-N 3.29Å; E285-R287 PolarHBondContact O-N 3.1Å; R287-E289 PolarHBondContact O-N 2.65Å
288	D	83.9	Confident	90.7	Very high	132 Å²	132	92 Å²	92	71%	0.706	45%	0.446	S	S	*	.	H	α-helix	trans	-70.6	-22.8	176.7	-70.2	-19.2	0	0	0	112.1	Q284 E285 C286	Q284-D288 PolarHBondContact O-N 3.12Å; E285-D288 PolarHBondContact O-N 3.01Å; C286-D288 VanDerWaalsContact C-N 3.33Å
289	E	86.5	Confident	90.7	Very high	169 Å²	169	91.7 Å²	91.7	79%	0.79	45%	0.452	S	S	*	.	H	α-helix	trans	-90.4	-46.8	179.5	-68.6	-176	172.4	0	0	113.8	E285 C286 R287	E285-E289 PolarHBondContact O-N 2.78Å; C286-E289 PolarHBondContact O-N 2.77Å; R287-E289 PolarHBondContact O-N 2.65Å
290	E	84.6	Confident	90.7	Very high	169 Å²	169	91.6 Å²	91.6	79%	0.79	45%	0.45	S	S	*	.			trans	-149.8	110	-176	-169.6	171.2	-167.1	0	0	112.2	C286	C286-E290 PolarHBondContact O-N 3.18Å
291	E	85.7	Confident	90.7	Very high	137 Å²	137	91.1 Å²	91.1	64%	0.64	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-82.1	133.6	174.6	-66.4	-169.8	154.4	0	0	111.5
292	A	88.6	Confident	90.8	Very high	20 Å²	20	88.8 Å²	88.8	17%	0.165	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-58.9	144.4	175.3	0	0	0	0	0	111.6	E296 M297	A292-E296 HydrophobicContact CB-CB 4.46Å; A292-E296 HydrophobicContact CB-CG 4.29Å; A292-M297 HydrophobicContact CB-CE 4.19Å; A292-M297 HydrophobicContact CB-CG 3.99Å; A292-M297 WeakPolarHBondContact O-CE 3.09Å
293	S	92.2	Very high	90.8	Very high	64 Å²	64	88.1 Å²	88.1	45%	0.448	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-66.7	156.8	175.5	70.8	0	0	0	0	111.9	E295 E296 M297	S293-E295 VanDerWaalsContact C-N 3.25Å; S293-E295 PolarHBondContact O-N 3.45Å; S293-E296 WeakPolarHBondContact O-CB 3.17Å; S293-E296 PolarHBondContact O-N 3.39Å; S293-E296 VanDerWaalsContact OG-CB 3.29Å; S293-E296 WeakPolarHBondContact OG-CB 3.4Å; S293-E296 PolarHBondContact OG-N 3.28Å; S293-M297 WeakPolarHBondContact O-CG 3.36Å; S293-M297 PolarHBondContact O-N 3.39Å
294	Q	92.4	Very high	90.9	Very high	147 Å²	147	86.5 Å²	86.5	69%	0.687	43%	0.432	S	S	*	.	H	α-helix	trans	-57.8	-36.6	176.2	-71.1	-174.4	-11.5	0	0	113.1	E296 A298	Q294-E296 VanDerWaalsContact C-N 3.34Å; Q294-A298 WeakPolarHBondContact O-CB 3.37Å; Q294-A298 PolarHBondContact O-N 3.27Å
295	E	94.1	Very high	91	Very high	168 Å²	168	82.7 Å²	82.7	79%	0.785	41%	0.413	S	S	*	.	H	α-helix	trans	-66.2	-39.4	176.5	-66.4	-175.2	176.5	0	0	111.4	S293 A298 S299	S293-E295 VanDerWaalsContact C-N 3.25Å; S293-E295 PolarHBondContact O-N 3.45Å; E295-A298 PolarHBondContact O-N 3.07Å; E295-S299 WeakPolarHBondContact O-CB 3.26Å; E295-S299 PolarHBondContact O-N 2.99Å
296	E	94.2	Very high	91	Very high	79 Å²	79	84.9 Å²	84.9	37%	0.369	42%	0.417	S	S	.	.	H	α-helix	trans	-68.4	-45.6	176	-177.7	172.8	-167.5	0	0	112	A292 S293 Q294 A298 S299 R300	A292-E296 HydrophobicContact CB-CB 4.46Å; A292-E296 HydrophobicContact CB-CG 4.29Å; S293-E296 WeakPolarHBondContact O-CB 3.17Å; S293-E296 PolarHBondContact O-N 3.39Å; S293-E296 VanDerWaalsContact OG-CB 3.29Å; S293-E296 WeakPolarHBondContact OG-CB 3.4Å; S293-E296 PolarHBondContact OG-N 3.28Å; Q294-E296 VanDerWaalsContact C-N 3.34Å; E296-A298 VanDerWaalsContact C-N 3.29Å; E296-A298 PolarHBondContact O-N 2.95Å; E296-S299 WeakPolarHBondContact O-CB 3.27Å; E296-S299 PolarHBondContact O-N 3.49Å; E296-S299 VanDerWaalsContact O-N 3.09Å; E296-R300 HydrophobicContact CG-CG 4.44Å; E296-R300 WeakPolarHBondContact O-CG 2.92Å; E296-R300 PolarHBondContact O-N 2.68Å; E296-R300 IonicContact OE1-CZ 2.6Å; E296-R300 VanDerWaalsContact OE1-CZ 3.3Å; E296-R300 IonicContact OE1-NE 3.2Å; E296-R300 PolarHBondContact OE1-NE 3.49Å; E296-R300 IonicContact OE1-NH2 3.33Å; E296-R300 PolarHBondContact OE1-NH2 3.21Å
297	M	94	Very high	91.2	Very high	24 Å²	24	85 Å²	85	12%	0.118	41%	0.411	C	S	.	.	H	α-helix	trans	-57.7	-42.8	174.3	-68.2	-175	176.1	0	0	111.2	A292 S293 R300 F301 D418	A292-M297 HydrophobicContact CB-CE 4.19Å; A292-M297 HydrophobicContact CB-CG 3.99Å; A292-M297 WeakPolarHBondContact O-CE 3.09Å; S293-M297 WeakPolarHBondContact O-CG 3.36Å; S293-M297 PolarHBondContact O-N 3.39Å; M297-R300 PolarHBondContact O-N 3.48Å; M297-F301 PolarHBondContact O-N 3.32Å; M297-D418 VanDerWaalsContact SD-O 3.38Å
298	A	94.1	Very high	91.4	Very high	25 Å²	25	79.7 Å²	79.7	21%	0.207	39%	0.391	C	S	.	.	H	α-helix	trans	-63.9	-39.4	174.8	0	0	0	0	0	112.6	Q294 E295 E296 F301 E302	Q294-A298 WeakPolarHBondContact O-CB 3.37Å; Q294-A298 PolarHBondContact O-N 3.27Å; E295-A298 PolarHBondContact O-N 3.07Å; E296-A298 VanDerWaalsContact C-N 3.29Å; E296-A298 PolarHBondContact O-N 2.95Å; A298-F301 WeakPolarHBondContact O-CB 3.5Å; A298-F301 PolarHBondContact O-N 2.91Å; A298-E302 WeakPolarHBondContact O-CG 3.36Å; A298-E302 PolarHBondContact O-N 3.22Å; A298-E302 VanDerWaalsContact O-N 3.15Å
299	S	94.9	Very high	91.6	Very high	66 Å²	66	74.9 Å²	74.9	46%	0.462	37%	0.365	S	S	.	.	H	α-helix	trans	-65	-43.5	174.5	-177.5	0	0	0	0	111.7	E295 E296 F301 E302 I303	E295-S299 WeakPolarHBondContact O-CB 3.26Å; E295-S299 PolarHBondContact O-N 2.99Å; E296-S299 WeakPolarHBondContact O-CB 3.27Å; E296-S299 PolarHBondContact O-N 3.49Å; E296-S299 VanDerWaalsContact O-N 3.09Å; S299-F301 VanDerWaalsContact C-N 3.34Å; S299-F301 PolarHBondContact O-N 3.47Å; S299-E302 PolarHBondContact O-N 3.02Å; S299-I303 WeakPolarHBondContact O-CG1 3.37Å; S299-I303 PolarHBondContact O-N 2.89Å
300	R	95.3	Very high	91.6	Very high	77 Å²	77	73 Å²	73	29%	0.291	35%	0.354	S	S	.	.	H	α-helix	trans	-64.8	-36.9	177.5	-69.2	176.3	-176.8	-164.1	4.8	111.8	E296 M297 I303 E304 D421	E296-R300 HydrophobicContact CG-CG 4.44Å; E296-R300 WeakPolarHBondContact O-CG 2.92Å; E296-R300 PolarHBondContact O-N 2.68Å; E296-R300 IonicContact OE1-CZ 2.6Å; E296-R300 VanDerWaalsContact OE1-CZ 3.3Å; E296-R300 IonicContact OE1-NE 3.2Å; E296-R300 PolarHBondContact OE1-NE 3.49Å; E296-R300 IonicContact OE1-NH2 3.33Å; E296-R300 PolarHBondContact OE1-NH2 3.21Å; M297-R300 PolarHBondContact O-N 3.48Å; R300-I303 PolarHBondContact O-N 2.84Å; R300-E304 PolarHBondContact O-N 2.72Å; R300-D421 WeakPolarHBondContact CD-OD1 3.41Å; R300-D421 IonicContact CZ-OD1 3.98Å; R300-D421 IonicContact CZ-OD2 3.55Å; R300-D421 IonicContact NE-OD1 2.94Å; R300-D421 IonicContact NH1-OD1 3.35Å; R300-D421 PolarHBondContact NH1-OD1 2.98Å; R300-D421 IonicContact NH1-OD2 3.82Å; R300-D421 PolarHBondContact NH1-OD2 2.84Å
301	F	95.1	Very high	91.6	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-57.9	-48.2	169.6	172.1	-97.3	0	0	0	112	M297 A298 S299 I303 E304 K305 T348 C411 R416 Y422	M297-F301 PolarHBondContact O-N 3.32Å; A298-F301 WeakPolarHBondContact O-CB 3.5Å; A298-F301 PolarHBondContact O-N 2.91Å; S299-F301 VanDerWaalsContact C-N 3.34Å; S299-F301 PolarHBondContact O-N 3.47Å; F301-I303 VanDerWaalsContact C-N 3.26Å; F301-I303 PolarHBondContact O-N 2.84Å; F301-E304 PolarHBondContact O-N 3.41Å; F301-K305 HydrophobicContact CE1-CD 3.87Å; F301-K305 HydrophobicContact CZ-CD 4.06Å; F301-K305 WeakPolarHBondContact O-CB 3.45Å; F301-K305 PolarHBondContact O-N 3.27Å; F301-T348 HydrophobicContact CD1-CG2 4.44Å; F301-T348 HydrophobicContact CE1-CG2 3.47Å; F301-T348 VanDerWaalsContact CE1-CG2 3.47Å; F301-T348 HydrophobicContact CZ-CG2 3.66Å; F301-C411 HydrophobicContact CE2-CB 4.16Å; F301-R416 HydrophobicContact CB-CG 4.18Å; F301-R416 HydrophobicContact CD1-CB 4.35Å; F301-R416 HydrophobicContact CD1-CG 4.1Å; F301-R416 HydrophobicContact CD2-CB 3.93Å; F301-R416 HydrophobicContact CD2-CG 3.64Å; F301-R416 HydrophobicContact CE1-CB 4.15Å; F301-R416 HydrophobicContact CE1-CG 4.41Å; F301-R416 HydrophobicContact CE2-CB 3.68Å; F301-R416 HydrophobicContact CE2-CG 3.95Å; F301-R416 HydrophobicContact CG-CB 4.24Å; F301-R416 HydrophobicContact CG-CG 3.69Å; F301-R416 HydrophobicContact CZ-CB 3.8Å; F301-R416 HydrophobicContact CZ-CG 4.33Å; F301-Y422 HydrophobicContact CB-CD2 3.68Å; F301-Y422 HydrophobicContact CB-CE2 4.05Å; F301-Y422 HydrophobicContact CB-CG 3.97Å; F301-Y422 AromaticContact CD2-CD1 3.86Å; F301-Y422 HydrophobicContact CD2-CD1 3.86Å; F301-Y422 HydrophobicContact CD2-CD2 4.01Å; F301-Y422 AromaticContact CD2-CE1 3.59Å; F301-Y422 HydrophobicContact CD2-CE1 3.59Å; F301-Y422 AromaticContact CD2-CE2 3.71Å; F301-Y422 HydrophobicContact CD2-CE2 3.71Å; F301-Y422 HydrophobicContact CD2-CG 4.09Å; F301-Y422 AromaticContact CD2-CZ 3.5Å; F301-Y422 HydrophobicContact CE2-CE1 4.14Å; F301-Y422 HydrophobicContact CG-CD2 4.35Å; F301-Y422 HydrophobicContact CG-CE2 4.31Å
302	E	93.5	Very high	91.3	Very high	67 Å²	67	64.4 Å²	64.4	31%	0.313	31%	0.313	S	S	.	.	H	α-helix	trans	-64.4	-31.7	179.4	-71	-61.8	140.1	0	0	112.7	A298 S299 K305 R306	A298-E302 WeakPolarHBondContact O-CG 3.36Å; A298-E302 PolarHBondContact O-N 3.22Å; A298-E302 VanDerWaalsContact O-N 3.15Å; S299-E302 PolarHBondContact O-N 3.02Å; E302-K305 IonicContact OE1-NZ 3.29Å; E302-K305 PolarHBondContact OE1-NZ 3.25Å; E302-K305 WeakPolarHBondContact OE2-CE 3.44Å; E302-K305 IonicContact OE2-NZ 2.65Å; E302-K305 PolarHBondContact OE2-NZ 2.85Å; E302-R306 WeakPolarHBondContact O-CB 3.2Å; E302-R306 PolarHBondContact O-N 3.3Å
303	I	93.3	Very high	90.4	Very high	78 Å²	78	64.5 Å²	64.5	40%	0.4	31%	0.313	S	S	.	.	H	α-helix	trans	-67.6	-55.9	173	-67.3	165.7	0	0	0	110.3	S299 R300 F301 K305 R306 E307	S299-I303 WeakPolarHBondContact O-CG1 3.37Å; S299-I303 PolarHBondContact O-N 2.89Å; R300-I303 PolarHBondContact O-N 2.84Å; F301-I303 VanDerWaalsContact C-N 3.26Å; F301-I303 PolarHBondContact O-N 2.84Å; I303-K305 VanDerWaalsContact C-N 3.31Å; I303-K305 PolarHBondContact O-N 3.35Å; I303-R306 CarbonylContact O-C 3.57Å; I303-R306 WeakPolarHBondContact O-CA 3.33Å; I303-R306 WeakPolarHBondContact O-CB 3.37Å; I303-R306 PolarHBondContact O-N 3.49Å; I303-E307 HydrophobicContact CG2-CG 4.27Å; I303-E307 WeakPolarHBondContact O-CG 3.5Å; I303-E307 PolarHBondContact O-N 3.44Å
304	E	94.2	Very high	89	Confident	1 Å²	1	66 Å²	66	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-41.9	-178.7	-179.2	61	-130.7	0	0	111.3	R300 F301 R306 E307 S308 Y408 I425 N426 K434	R300-E304 PolarHBondContact O-N 2.72Å; F301-E304 PolarHBondContact O-N 3.41Å; E304-R306 PolarHBondContact O-N 3.25Å; E304-E307 PolarHBondContact O-N 2.99Å; E304-S308 WeakPolarHBondContact O-CB 3.46Å; E304-S308 PolarHBondContact O-N 3.48Å; E304-Y408 HydrophobicContact CG-CD2 4.4Å; E304-Y408 WeakPolarHBondContact OE1-CD2 3.39Å; E304-Y408 WeakPolarHBondContact OE1-CE2 3.48Å; E304-I425 HydrophobicContact CG-CB 4.39Å; E304-I425 HydrophobicContact CG-CD1 4.01Å; E304-I425 HydrophobicContact CG-CG2 4.19Å; E304-I425 WeakPolarHBondContact OE2-CG2 3.38Å; E304-N426 VanDerWaalsContact OE2-CG 3.24Å; E304-N426 PolarHBondContact OE2-ND2 3.05Å; E304-N426 PolarHBondContact OE2-OD1 3.3Å; E304-K434 IonicContact OE1-NZ 3.23Å; E304-K434 PolarHBondContact OE1-NZ 3.19Å; E304-K434 IonicContact OE2-NZ 3.37Å; E304-K434 PolarHBondContact OE2-NZ 2.83Å
305	K	91.8	Very high	87.4	Confident	14 Å²	14	62.6 Å²	62.6	6%	0.061	31%	0.31	C	S	.	.	H	α-helix	trans	-57.3	-38.6	173.9	-173.3	179.8	72.6	-174.3	0	111.5	F301 E302 I303 S308 F339 C411	F301-K305 HydrophobicContact CE1-CD 3.87Å; F301-K305 HydrophobicContact CZ-CD 4.06Å; F301-K305 WeakPolarHBondContact O-CB 3.45Å; F301-K305 PolarHBondContact O-N 3.27Å; E302-K305 IonicContact OE1-NZ 3.29Å; E302-K305 PolarHBondContact OE1-NZ 3.25Å; E302-K305 WeakPolarHBondContact OE2-CE 3.44Å; E302-K305 IonicContact OE2-NZ 2.65Å; E302-K305 PolarHBondContact OE2-NZ 2.85Å; I303-K305 VanDerWaalsContact C-N 3.31Å; I303-K305 PolarHBondContact O-N 3.35Å; K305-S308 PolarHBondContact O-OG 2.83Å; K305-F339 HydrophobicContact CD-CD1 3.85Å; K305-F339 HydrophobicContact CD-CE1 4.11Å; K305-C411 PolarHBondContact N-SG 3.22Å
306	R	90.2	Very high	85.7	Confident	155 Å²	155	58.2 Å²	58.2	59%	0.585	29%	0.292	S	S	*	.	H	α-helix	trans	-73.8	-42.8	177.1	-174.7	-175.7	-56.4	-174.8	3.9	112.3	E302 I303 E304 S308 M309 F310	E302-R306 WeakPolarHBondContact O-CB 3.2Å; E302-R306 PolarHBondContact O-N 3.3Å; I303-R306 CarbonylContact O-C 3.57Å; I303-R306 WeakPolarHBondContact O-CA 3.33Å; I303-R306 WeakPolarHBondContact O-CB 3.37Å; I303-R306 PolarHBondContact O-N 3.49Å; E304-R306 PolarHBondContact O-N 3.25Å; R306-S308 VanDerWaalsContact C-N 3.34Å; R306-M309 HydrophobicContact CB-CE 4.13Å; R306-M309 HydrophobicContact CG-CE 3.72Å; R306-M309 WeakPolarHBondContact O-CB 3.34Å; R306-M309 PolarHBondContact O-N 3.07Å; R306-F310 HydrophobicContact CG-CE2 4.16Å; R306-F310 WeakPolarHBondContact O-CD2 3.45Å
307	E	91.5	Very high	83.7	Confident	78 Å²	78	62.1 Å²	62.1	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-66	-37.1	179.9	-72.3	-179.4	167.2	0	0	112	I303 E304 M309 F310 N426	I303-E307 HydrophobicContact CG2-CG 4.27Å; I303-E307 WeakPolarHBondContact O-CG 3.5Å; I303-E307 PolarHBondContact O-N 3.44Å; E304-E307 PolarHBondContact O-N 2.99Å; E307-M309 PolarHBondContact O-N 2.85Å; E307-M309 VanDerWaalsContact O-N 3.12Å; E307-F310 PolarHBondContact O-N 2.77Å; E307-N426 PolarHBondContact OE2-ND2 3.17Å; E307-N426 PolarHBondContact OE2-OD1 2.92Å
308	S	90.1	Very high	81.8	Confident	3 Å²	3	68.4 Å²	68.4	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-56.7	-27.5	174.5	78.5	0	0	0	0	113.3	E304 K305 R306 F310 V311 K438	E304-S308 WeakPolarHBondContact O-CB 3.46Å; E304-S308 PolarHBondContact O-N 3.48Å; K305-S308 PolarHBondContact O-OG 2.83Å; R306-S308 VanDerWaalsContact C-N 3.34Å; S308-F310 VanDerWaalsContact C-N 3.3Å; S308-F310 PolarHBondContact O-N 2.94Å; S308-V311 WeakPolarHBondContact O-CB 3.46Å; S308-V311 PolarHBondContact O-N 2.96Å; S308-K438 PolarHBondContact O-NZ 2.98Å
309	M	87.2	Confident	79.8	Confident	32 Å²	32	73.4 Å²	73.4	16%	0.158	37%	0.372	C	S	.	.	H	α-helix	trans	-66.3	-33.1	174.6	-63.5	-167.9	-83	0	0	112.4	R306 E307 V311 D338 S340	R306-M309 HydrophobicContact CB-CE 4.13Å; R306-M309 HydrophobicContact CG-CE 3.72Å; R306-M309 WeakPolarHBondContact O-CB 3.34Å; R306-M309 PolarHBondContact O-N 3.07Å; E307-M309 PolarHBondContact O-N 2.85Å; E307-M309 VanDerWaalsContact O-N 3.12Å; M309-V311 PolarHBondContact O-N 3.23Å; M309-D338 HydrophobicContact CG-CB 3.84Å; M309-D338 HydrophobicContact SD-CB 4.37Å; M309-S340 WeakPolarHBondContact CE-OG 3.46Å; M309-S340 PolarHBondContact SD-OG 3.42Å
310	F	86.6	Confident	78	Confident	129 Å²	129	72.5 Å²	72.5	57%	0.566	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	2	179.9	-58.4	-72.5	0	0	0	112.9	R306 E307 S308 F312	R306-F310 HydrophobicContact CG-CE2 4.16Å; R306-F310 WeakPolarHBondContact O-CD2 3.45Å; E307-F310 PolarHBondContact O-N 2.77Å; S308-F310 VanDerWaalsContact C-N 3.3Å; S308-F310 PolarHBondContact O-N 2.94Å; F310-F312 VanDerWaalsContact O-CD1 3.32Å; F310-F312 WeakPolarHBondContact O-CD1 3.13Å; F310-F312 VanDerWaalsContact O-CE1 3.29Å; F310-F312 WeakPolarHBondContact O-CE1 3.49Å; F310-F312 PolarHBondContact O-N 3.04Å
311	V	85.7	Confident	76	Confident	11 Å²	11	73.8 Å²	73.8	7%	0.067	38%	0.382	C	S	.	.			trans	-84.7	107.8	170.5	-178.5	0	0	0	0	107.7	S308 M309 K434 V435 K438	S308-V311 WeakPolarHBondContact O-CB 3.46Å; S308-V311 PolarHBondContact O-N 2.96Å; M309-V311 PolarHBondContact O-N 3.23Å; V311-K434 HydrophobicContact CG1-CB 4Å; V311-K434 HydrophobicContact CG2-CB 4.33Å; V311-K434 HydrophobicContact CG2-CD 4.49Å; V311-V435 HydrophobicContact CG1-CB 4.19Å; V311-V435 HydrophobicContact CG1-CG2 3.54Å; V311-K438 HydrophobicContact CB-CD 4.22Å; V311-K438 HydrophobicContact CG1-CD 4.32Å; V311-K438 WeakPolarHBondContact O-CD 3.12Å; V311-K438 PolarHBondContact O-NZ 2.86Å
312	F	79.3	Confident	74	Confident	115 Å²	115	77.9 Å²	77.9	50%	0.504	42%	0.415	S	S	.	.			trans	-145.3	153.8	173.6	45	-94.6	0	0	0	110.2	F310	F310-F312 VanDerWaalsContact O-CD1 3.32Å; F310-F312 WeakPolarHBondContact O-CD1 3.13Å; F310-F312 VanDerWaalsContact O-CE1 3.29Å; F310-F312 WeakPolarHBondContact O-CE1 3.49Å; F310-F312 PolarHBondContact O-N 3.04Å
313	S	69.9	Low	72.6	Confident	22 Å²	22	79 Å²	79	15%	0.154	42%	0.417	C	S	.	.			trans	-75.5	154.7	171	-174.4	0	0	0	0	110	D315	S313-D315 PolarHBondContact O-N 2.76Å; S313-D315 PolarHBondContact OG-N 3.14Å
314	S	61.7	Low	71.6	Confident	96 Å²	96	81 Å²	81	67%	0.671	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.8	169.8	50.7	0	0	0	0	112.9	D316	S314-D316 VanDerWaalsContact C-N 3.31Å; S314-D316 PolarHBondContact O-N 2.91Å
315	D	59.8	Low	71.2	Confident	75 Å²	75	81.4 Å²	81.4	40%	0.401	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	13.8	-168.4	-53	-15.2	0	0	0	112	S313 D317 E318	S313-D315 PolarHBondContact O-N 2.76Å; S313-D315 PolarHBondContact OG-N 3.14Å; D315-D317 VanDerWaalsContact C-N 3.25Å; D315-D317 PolarHBondContact O-N 3.06Å; D315-E318 PolarHBondContact O-N 3.38Å
316	D	56.8	Low	70.7	Confident	76 Å²	76	81.9 Å²	81.9	41%	0.406	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20	-169.9	-139.3	22.9	0	0	0	113.7	S314 K446	S314-D316 VanDerWaalsContact C-N 3.31Å; S314-D316 PolarHBondContact O-N 2.91Å; D316-K446 PolarHBondContact O-NZ 3.21Å; D316-K446 IonicContact OD1-NZ 2.62Å; D316-K446 PolarHBondContact OD1-NZ 2.92Å
317	D	53	Low	70.6	Confident	160 Å²	160	79.3 Å²	79.3	86%	0.856	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.3	-178.6	-72.2	-31	0	0	0	114	D315 V319	D315-D317 VanDerWaalsContact C-N 3.25Å; D315-D317 PolarHBondContact O-N 3.06Å; D317-V319 PolarHBondContact O-N 3.04Å
318	E	53.1	Low	70.4	Confident	156 Å²	156	76 Å²	76	73%	0.729	41%	0.411	S	S	*	.	S	Bend	trans	-81.4	111.2	-179.8	-152.4	173	-166.1	0	0	110.4	D315 T320	D315-E318 PolarHBondContact O-N 3.38Å; E318-T320 PolarHBondContact O-N 3.38Å
319	V	53.1	Low	70.2	Confident	131 Å²	131	76.8 Å²	76.8	79%	0.794	41%	0.414	S	S	*	.			trans	-63.8	106.5	174.5	179	0	0	0	0	108.2	D317 P321	D317-V319 PolarHBondContact O-N 3.04Å; V319-P321 WeakPolarHBondContact O-CD 3.3Å
320	T	56.3	Low	70.1	Confident	46 Å²	46	78.8 Å²	78.8	28%	0.282	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-60.6	121.4	172.1	-44.7	0	0	0	0	108.2	E318 A322	E318-T320 PolarHBondContact O-N 3.38Å; T320-A322 PolarHBondContact O-N 3.05Å
321	P	53.1	Low	70.1	Confident	104 Å²	104	75.8 Å²	75.8	68%	0.675	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-60.3	137.5	-178.1	20.9	-30.2	0	0	0	110.2	V319 R323	V319-P321 WeakPolarHBondContact O-CD 3.3Å; P321-R323 PolarHBondContact O-N 3.42Å; P321-R323 VanDerWaalsContact O-N 3.08Å
322	A	53.5	Low	70	Confident	86 Å²	86	80 Å²	80	71%	0.711	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-56	116.4	179.2	0	0	0	0	0	109.9	T320	T320-A322 PolarHBondContact O-N 3.05Å
323	R	65	Low	70.4	Confident	91 Å²	91	79.6 Å²	79.6	34%	0.343	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-73.7	157	174	-65.4	-177.2	-179.4	176.1	-0.3	110	Q129 P321 V325 S326	Q129-R323 WeakPolarHBondContact O-CD 3.38Å; Q129-R323 PolarHBondContact O-NH1 3.5Å; P321-R323 PolarHBondContact O-N 3.42Å; P321-R323 VanDerWaalsContact O-N 3.08Å; R323-V325 HydrophobicContact CB-CG2 4.05Å; R323-V325 PolarHBondContact O-N 3.44Å; R323-S326 WeakPolarHBondContact O-CB 3.28Å; R323-S326 PolarHBondContact O-N 2.82Å; R323-S326 PolarHBondContact O-OG 2.98Å
324	D	72.8	Confident	71.4	Confident	121 Å²	121	80 Å²	80	65%	0.647	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-57	-16.9	-176.9	-164.2	22.1	0	0	0	114.6	S326 R327	D324-S326 PolarHBondContact O-N 2.8Å; D324-R327 PolarHBondContact O-NE 2.98Å; D324-R327 IonicContact OD1-CZ 2.88Å; D324-R327 IonicContact OD1-NE 2.71Å; D324-R327 IonicContact OD1-NH2 3.35Å; D324-R327 PolarHBondContact OD1-NH2 2.93Å; D324-R327 IonicContact OD2-CZ 2.97Å; D324-R327 IonicContact OD2-NH2 2.99Å; D324-R327 PolarHBondContact OD2-NH2 3.35Å
325	V	83.9	Confident	72.8	Confident	8 Å²	8	76.6 Å²	76.6	5%	0.048	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-72.9	-9.1	176.5	-57.2	0	0	0	0	114.3	A126 Q129 V134 R323 R327 H328	A126-V325 HydrophobicContact CB-CB 4.38Å; Q129-V325 HydrophobicContact CB-CG2 4.3Å; V134-V325 HydrophobicContact CB-CG1 3.9Å; V134-V325 HydrophobicContact CG1-CB 4.41Å; V134-V325 HydrophobicContact CG1-CG1 3.75Å; V134-V325 HydrophobicContact CG2-CB 4.2Å; V134-V325 HydrophobicContact CG2-CG1 3.98Å; R323-V325 HydrophobicContact CB-CG2 4.05Å; R323-V325 PolarHBondContact O-N 3.44Å; V325-R327 PolarHBondContact O-N 3.23Å; V325-H328 PolarHBondContact O-CD2 3.24Å; V325-H328 PolarHBondContact O-N 3.29Å; V325-H328 VanDerWaalsContact O-N 3.15Å
326	S	81.6	Confident	74.3	Confident	24 Å²	24	74.7 Å²	74.7	17%	0.168	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-61.1	-18.1	-178.6	-54.7	0	0	0	0	113.8	R323 D324 H328 F329	R323-S326 WeakPolarHBondContact O-CB 3.28Å; R323-S326 PolarHBondContact O-N 2.82Å; R323-S326 PolarHBondContact O-OG 2.98Å; D324-S326 PolarHBondContact O-N 2.8Å; S326-H328 VanDerWaalsContact C-N 3.25Å; S326-H328 PolarHBondContact O-N 3.42Å; S326-F329 VanDerWaalsContact CA-CE1 3.49Å
327	R	88	Confident	75.8	Confident	101 Å²	101	75.4 Å²	75.4	38%	0.381	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-68.2	-18.8	176.7	67.8	178	84.2	-179.6	5.2	114.2	L151 G153 L154 D324 V325	L151-R327 WeakPolarHBondContact O-CD 3.28Å; G153-R327 CarbonylContact C-O 3.58Å; G153-R327 WeakPolarHBondContact CA-O 3.36Å; L154-R327 PolarHBondContact N-O 2.98Å; D324-R327 PolarHBondContact O-NE 2.98Å; D324-R327 IonicContact OD1-CZ 2.88Å; D324-R327 IonicContact OD1-NE 2.71Å; D324-R327 IonicContact OD1-NH2 3.35Å; D324-R327 PolarHBondContact OD1-NH2 2.93Å; D324-R327 IonicContact OD2-CZ 2.97Å; D324-R327 IonicContact OD2-NH2 2.99Å; D324-R327 PolarHBondContact OD2-NH2 3.35Å; V325-R327 PolarHBondContact O-N 3.23Å
328	H	88	Confident	77.4	Confident	10 Å²	10	69.6 Å²	69.6	5%	0.046	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-90.8	5.6	-174	-59.4	-66.4	0	0	0	114.1	I122 A126 L151 V325 S326	I122-H328 HydrophobicContact CG2-CB 3.86Å; A126-H328 HydrophobicContact CB-CB 4Å; L151-H328 PolarHBondContact O-CE1 3Å; V325-H328 PolarHBondContact O-CD2 3.24Å; V325-H328 PolarHBondContact O-N 3.29Å; V325-H328 VanDerWaalsContact O-N 3.15Å; S326-H328 VanDerWaalsContact C-N 3.25Å; S326-H328 PolarHBondContact O-N 3.42Å
329	F	85.3	Confident	78.8	Confident	19 Å²	19	62.6 Å²	62.6	8%	0.083	35%	0.351	C	S	.	.	S	Bend	trans	-150.9	157.4	177.6	61.3	-87.3	0	0	0	112.2	A126 S326 T332	A126-F329 VanDerWaalsContact C-CE1 3.48Å; A126-F329 HydrophobicContact CB-CD1 3.52Å; A126-F329 HydrophobicContact CB-CE1 3.83Å; A126-F329 WeakPolarHBondContact O-CE1 3.34Å; A126-F329 WeakPolarHBondContact O-CZ 3.46Å; S326-F329 VanDerWaalsContact CA-CE1 3.49Å; F329-T332 HydrophobicContact CD2-CG2 4.41Å; F329-T332 HydrophobicContact CE2-CG2 3.91Å; F329-T332 HydrophobicContact CZ-CG2 4.43Å
330	E	85.1	Confident	79.6	Confident	73 Å²	73	57.8 Å²	57.8	34%	0.341	32%	0.323	S	S	.	.	S	Bend	trans	-90.9	166	175.5	65.8	-170.7	-170.3	0	0	112.6	R127 L154 E166	R127-E330 PolarHBondContact NH1-O 3.27Å; L154-E330 HydrophobicContact CD2-CB 4.3Å; E166-E330 PolarHBondContact N-OE1 2.65Å
331	D	86.7	Confident	80.1	Confident	66 Å²	66	62.2 Å²	62.2	35%	0.353	34%	0.335	S	S	.	.			trans	50.6	68.1	176.8	-167.8	0.7	0	0	0	112.9	K169 S333 Y334	K169-D331 HydrophobicContact CD-CB 4.34Å; D331-S333 PolarHBondContact O-N 2.85Å; D331-S333 VanDerWaalsContact O-N 3.12Å; D331-S333 PolarHBondContact OD1-OG 3.31Å; D331-Y334 WeakPolarHBondContact O-CB 3.47Å; D331-Y334 PolarHBondContact O-N 2.95Å; D331-Y334 PolarHBondContact OD1-N 3.22Å
332	T	84.6	Confident	80.2	Confident	101 Å²	101	65.6 Å²	65.6	62%	0.62	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-16.1	179.9	56.9	0	0	0	0	113.7	F329	F329-T332 HydrophobicContact CD2-CG2 4.41Å; F329-T332 HydrophobicContact CE2-CG2 3.91Å; F329-T332 HydrophobicContact CZ-CG2 4.43Å
333	S	87.3	Confident	80.5	Confident	106 Å²	106	65.7 Å²	65.7	74%	0.741	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-14.9	175.7	79.3	0	0	0	0	113.4	D331 G335	D331-S333 PolarHBondContact O-N 2.85Å; D331-S333 VanDerWaalsContact O-N 3.12Å; D331-S333 PolarHBondContact OD1-OG 3.31Å; S333-G335 PolarHBondContact O-N 3.01Å
334	Y	91	Very high	80.5	Confident	30 Å²	30	66.7 Å²	66.7	12%	0.118	36%	0.36	C	S	.	.			trans	-76.8	110.8	-179.3	-160	-76.4	0	0	0	110.5	R127 K169 H173 R174 D331	R127-Y334 PolarHBondContact NH2-O 3.5Å; K169-Y334 HydrophobicContact CB-CD1 4.38Å; K169-Y334 HydrophobicContact CD-CD2 4.26Å; K169-Y334 HydrophobicContact CD-CG 4.31Å; K169-Y334 HydrophobicContact CG-CD1 4.49Å; K169-Y334 WeakPolarHBondContact O-CE1 3.04Å; H173-Y334 HydrophobicContact CB-CD1 4.1Å; H173-Y334 HydrophobicContact CB-CE1 3.93Å; H173-Y334 AromaticContact CD2-CD1 3.82Å; R174-Y334 HydrophobicContact CG-CE1 4.16Å; D331-Y334 WeakPolarHBondContact O-CB 3.47Å; D331-Y334 PolarHBondContact O-N 2.95Å; D331-Y334 PolarHBondContact OD1-N 3.22Å
335	G	90.6	Very high	80.4	Confident	24 Å²	24	69.5 Å²	69.5	25%	0.247	37%	0.37	C	S	.	.			trans	-131.4	-176.1	172.4	0	0	0	0	0	112.4	R174 S333	R174-G335 VanDerWaalsContact CZ-O 3.26Å; R174-G335 PolarHBondContact NE-O 3.31Å; R174-G335 PolarHBondContact NH2-O 2.95Å; S333-G335 PolarHBondContact O-N 3.01Å
336	Y	91.1	Very high	80.4	Confident	35 Å²	35	70.4 Å²	70.4	14%	0.137	38%	0.375	C	S	.	.			trans	-58.2	142.6	176	176	-91.2	0	0	0	111.5	H173 W176 D338 C442	H173-Y336 VanDerWaalsContact O-CD2 3.25Å; H173-Y336 WeakPolarHBondContact O-CD2 3.47Å; W176-Y336 HydrophobicContact CH2-CD2 4.12Å; W176-Y336 AromaticContact CH2-CE2 3.64Å; W176-Y336 HydrophobicContact CH2-CE2 3.64Å; W176-Y336 HydrophobicContact CZ3-CE2 4.18Å; Y336-D338 WeakPolarHBondContact CE1-OD1 3.49Å; Y336-D338 PolarHBondContact OH-OD1 3.29Å; Y336-C442 WeakPolarHBondContact CB-O 3.26Å; Y336-C442 HydrophobicContact CD1-CB 3.68Å; Y336-C442 HydrophobicContact CD2-CB 3.61Å; Y336-C442 HydrophobicContact CE1-CB 3.89Å; Y336-C442 HydrophobicContact CE2-CB 3.81Å; Y336-C442 WeakPolarHBondContact CE2-SG 3.32Å; Y336-C442 HydrophobicContact CG-CB 3.55Å
337	K	88.9	Confident	80.7	Confident	92 Å²	92	73.7 Å²	73.7	40%	0.4	40%	0.396	S	S	.	.			trans	-140.4	143.3	168.4	-70	-177.7	-179.8	175.8	0	106.5	R174 W176	R174-K337 VanDerWaalsContact CZ-CD 3.48Å; R174-K337 VanDerWaalsContact NH2-CE 3.33Å; W176-K337 VanDerWaalsContact CH2-O 3.24Å; W176-K337 WeakPolarHBondContact CH2-O 3.46Å; W176-K337 WeakPolarHBondContact CZ2-O 3.44Å
338	D	87	Confident	81	Confident	38 Å²	38	70.5 Å²	70.5	20%	0.203	39%	0.387	C	S	.	.			trans	-59.9	141.2	-178.6	-65.8	-49.7	0	0	0	112.6	M309 Y336 S340 R341 K438	M309-D338 HydrophobicContact CG-CB 3.84Å; M309-D338 HydrophobicContact SD-CB 4.37Å; Y336-D338 WeakPolarHBondContact CE1-OD1 3.49Å; Y336-D338 PolarHBondContact OH-OD1 3.29Å; D338-S340 PolarHBondContact O-N 3.37Å; D338-R341 PolarHBondContact O-N 2.83Å; D338-K438 VanDerWaalsContact OD1-CE 3.22Å; D338-K438 WeakPolarHBondContact OD1-CE 3.36Å; D338-K438 IonicContact OD1-NZ 2.8Å; D338-K438 PolarHBondContact OD1-NZ 3.06Å; D338-K438 IonicContact OD2-NZ 2.77Å; D338-K438 PolarHBondContact OD2-NZ 3.12Å
339	F	81.7	Confident	81.4	Confident	9 Å²	9	70 Å²	70	4%	0.039	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-41.4	-179.1	175.9	-88	0	0	0	113.1	W176 K305 V346	W176-F339 HydrophobicContact CB-CD2 3.69Å; W176-F339 HydrophobicContact CB-CE2 3.61Å; W176-F339 AromaticContact CD1-CD2 3.78Å; W176-F339 HydrophobicContact CD2-CB 4.33Å; W176-F339 AromaticContact CD2-CD2 3.55Å; W176-F339 HydrophobicContact CD2-CD2 3.55Å; W176-F339 HydrophobicContact CD2-CE2 4.38Å; W176-F339 HydrophobicContact CD2-CG 4.4Å; W176-F339 HydrophobicContact CE3-CB 4.47Å; W176-F339 AromaticContact CE3-CD2 3.99Å; W176-F339 HydrophobicContact CE3-CD2 3.99Å; W176-F339 AromaticContact CG-CD2 3.38Å; W176-F339 HydrophobicContact CG-CD2 3.38Å; W176-F339 AromaticContact CG-CE2 3.77Å; W176-F339 HydrophobicContact CG-CE2 3.77Å; W176-F339 HydrophobicContact CH2-CB 4.48Å; W176-F339 HydrophobicContact CZ2-CB 4.33Å; K305-F339 HydrophobicContact CD-CD1 3.85Å; K305-F339 HydrophobicContact CD-CE1 4.11Å; F339-V346 HydrophobicContact CD2-CG1 4.41Å; F339-V346 HydrophobicContact CE1-CB 4.44Å; F339-V346 HydrophobicContact CE2-CB 3.96Å; F339-V346 HydrophobicContact CE2-CG1 3.56Å; F339-V346 HydrophobicContact CZ-CB 3.87Å; F339-V346 HydrophobicContact CZ-CG1 3.78Å; F339-V346 WeakPolarHBondContact CZ-O 3.47Å
340	S	69.9	Low	81.9	Confident	29 Å²	29	73.5 Å²	73.5	20%	0.203	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	26.7	-173.4	47.8	0	0	0	0	114.4	M309 D338 H342	M309-S340 WeakPolarHBondContact CE-OG 3.46Å; M309-S340 PolarHBondContact SD-OG 3.42Å; D338-S340 PolarHBondContact O-N 3.37Å; S340-H342 PolarHBondContact O-N 2.92Å
341	R	66.1	Low	82.5	Confident	140 Å²	140	70.7 Å²	70.7	53%	0.528	39%	0.385	S	S	.	.			trans	-55.3	138.2	178.1	-173.8	174	175.2	157.2	0.9	111.9	D338 G343 M344	D338-R341 PolarHBondContact O-N 2.83Å; R341-G343 PolarHBondContact O-N 2.73Å; R341-M344 PolarHBondContact O-N 3.06Å
342	H	56	Low	82.9	Confident	174 Å²	174	71.7 Å²	71.7	81%	0.806	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	123.8	-179.3	-69.5	14.5	0	0	0	112.1	S340	S340-H342 PolarHBondContact O-N 2.92Å
343	G	59.1	Low	83.4	Confident	88 Å²	88	72.2 Å²	72.2	91%	0.907	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.4	-10.7	174.8	0	0	0	0	0	116.2	R341	R341-G343 PolarHBondContact O-N 2.73Å
344	M	65	Low	83.9	Confident	112 Å²	112	67.7 Å²	67.7	55%	0.552	35%	0.354	S	S	*	.			trans	-111.6	112	174.3	-67.5	-173.9	69.1	0	0	110.7	L177 R341 V346	L177-M344 HydrophobicContact CD2-CE 3.93Å; R341-M344 PolarHBondContact O-N 3.06Å; M344-V346 PolarHBondContact O-N 3.38Å
345	H	71.9	Confident	84.2	Confident	181 Å²	181	66.6 Å²	66.6	84%	0.838	35%	0.35	S	S	*	.			trans	-90.8	82.6	174.2	-170.8	-79.8	0	0	0	110
346	V	82.6	Confident	84.6	Confident	26 Å²	26	65.6 Å²	65.6	16%	0.158	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-83.3	127.2	172.4	-175.2	0	0	0	0	108.9	W176 L177 F339 M344 T348	W176-V346 HydrophobicContact CB-CG1 4.18Å; W176-V346 HydrophobicContact CG-CG1 4.36Å; L177-V346 HydrophobicContact CD2-CG2 4.1Å; F339-V346 HydrophobicContact CD2-CG1 4.41Å; F339-V346 HydrophobicContact CE1-CB 4.44Å; F339-V346 HydrophobicContact CE2-CB 3.96Å; F339-V346 HydrophobicContact CE2-CG1 3.56Å; F339-V346 HydrophobicContact CZ-CB 3.87Å; F339-V346 HydrophobicContact CZ-CG1 3.78Å; F339-V346 WeakPolarHBondContact CZ-O 3.47Å; M344-V346 PolarHBondContact O-N 3.38Å; V346-T348 PolarHBondContact O-N 2.79Å
347	P	89.3	Confident	84.9	Confident	93 Å²	93	69 Å²	69	60%	0.604	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-62.4	132.2	177.3	-21.6	32.7	0	0	0	111.9	F349	P347-F349 PolarHBondContact O-N 3.04Å
348	T	93.6	Very high	85.2	Confident	34 Å²	34	70.4 Å²	70.4	21%	0.209	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-55.7	132.3	170.1	-58.9	0	0	0	0	110	F301 V346 R350 G414 R416	F301-T348 HydrophobicContact CD1-CG2 4.44Å; F301-T348 HydrophobicContact CE1-CG2 3.47Å; F301-T348 VanDerWaalsContact CE1-CG2 3.47Å; F301-T348 HydrophobicContact CZ-CG2 3.66Å; V346-T348 PolarHBondContact O-N 2.79Å; T348-R350 PolarHBondContact O-N 2.88Å; T348-G414 WeakPolarHBondContact CG2-O 3.43Å; T348-R416 HydrophobicContact CG2-CB 3.69Å
349	F	96.5	Very high	85.7	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	114.6	172.5	-176.2	-64.2	0	0	0	108.5	P347 Y354 G414 I415 R416 L481 Y482 R485	P347-F349 PolarHBondContact O-N 3.04Å; F349-Y354 WeakPolarHBondContact CE1-O 3.33Å; F349-Y354 AromaticContact CZ-CD1 3.87Å; F349-Y354 HydrophobicContact CZ-CD1 3.87Å; F349-Y354 HydrophobicContact CZ-CG 4.28Å; F349-Y354 WeakPolarHBondContact CZ-O 3.33Å; F349-G414 PolarHBondContact N-O 3.01Å; F349-I415 HydrophobicContact CB-CG1 4Å; F349-I415 HydrophobicContact CD1-CB 4.47Å; F349-I415 HydrophobicContact CD1-CG1 4.16Å; F349-I415 HydrophobicContact CD1-CG2 3.95Å; F349-I415 HydrophobicContact CE1-CG2 4.49Å; F349-I415 HydrophobicContact CG-CG1 4.1Å; F349-I415 CarbonylContact O-C 3.55Å; F349-I415 WeakPolarHBondContact O-CA 3.38Å; F349-R416 PolarHBondContact O-N 2.77Å; F349-L481 HydrophobicContact CE1-CB 4.43Å; F349-L481 HydrophobicContact CE1-CD1 4.46Å; F349-L481 HydrophobicContact CE2-CB 4.11Å; F349-L481 HydrophobicContact CZ-CB 3.8Å; F349-L481 HydrophobicContact CZ-CD2 4.26Å; F349-L481 HydrophobicContact CZ-CG 4.44Å; F349-Y482 HydrophobicContact CB-CE1 3.94Å; F349-Y482 WeakPolarHBondContact CB-OH 3.4Å; F349-Y482 AromaticContact CD2-CD1 3.79Å; F349-Y482 HydrophobicContact CD2-CD1 3.79Å; F349-Y482 AromaticContact CD2-CE1 3.51Å; F349-Y482 HydrophobicContact CD2-CE1 3.51Å; F349-Y482 HydrophobicContact CD2-CG 4.48Å; F349-Y482 HydrophobicContact CE2-CD1 4.34Å; F349-Y482 HydrophobicContact CE2-CE1 4.46Å; F349-Y482 HydrophobicContact CG-CE1 4.15Å; F349-R485 HydrophobicContact CE2-CB 4.12Å; F349-R485 VanDerWaalsContact CE2-CD 3.48Å; F349-R485 HydrophobicContact CE2-CG 4.41Å
350	R	96.5	Very high	86.5	Confident	93 Å²	93	71.2 Å²	71.2	35%	0.351	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.8	174.9	-61.1	179.9	72.8	176.9	6.2	109.9	T348 Q352 D353 Y354 R416 D418	T348-R350 PolarHBondContact O-N 2.88Å; R350-Q352 PolarHBondContact O-N 3.09Å; R350-D353 HydrophobicContact CB-CB 4.43Å; R350-D353 PolarHBondContact O-N 3.36Å; R350-D353 VanDerWaalsContact O-N 3.1Å; R350-Y354 PolarHBondContact O-N 3.36Å; R350-R416 VanDerWaalsContact NE-NH2 3.16Å; R350-D418 IonicContact CZ-OD2 3.36Å; R350-D418 IonicContact NE-OD1 3.64Å; R350-D418 IonicContact NE-OD2 3.3Å; R350-D418 PolarHBondContact NE-OD2 3.24Å; R350-D418 IonicContact NH2-OD1 3.66Å; R350-D418 IonicContact NH2-OD2 2.65Å; R350-D418 PolarHBondContact NH2-OD2 2.79Å
351	V	96.7	Very high	87.8	Confident	13 Å²	13	73.4 Å²	73.4	8%	0.079	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-32.1	179.2	175	0	0	0	0	111.3	D353 Y354 C355 I415 R416 Y417	V351-D353 PolarHBondContact O-N 3.47Å; V351-Y354 CarbonylContact O-C 3.11Å; V351-Y354 PolarHBondContact O-N 2.93Å; V351-Y354 VanDerWaalsContact O-N 3.13Å; V351-C355 HydrophobicContact CG1-CB 3.52Å; V351-C355 WeakPolarHBondContact O-CB 3.45Å; V351-C355 PolarHBondContact O-N 2.8Å; V351-I415 HydrophobicContact CG2-CG2 3.53Å; V351-R416 WeakPolarHBondContact CG2-O 3.46Å; V351-R416 PolarHBondContact N-O 3.29Å; V351-Y417 HydrophobicContact CB-CD1 3.97Å; V351-Y417 HydrophobicContact CB-CE1 4.04Å; V351-Y417 HydrophobicContact CB-CG 4.38Å; V351-Y417 HydrophobicContact CG1-CD1 3.87Å; V351-Y417 HydrophobicContact CG1-CE1 3.61Å; V351-Y417 HydrophobicContact CG2-CD1 3.87Å; V351-Y417 HydrophobicContact CG2-CD2 3.99Å; V351-Y417 HydrophobicContact CG2-CE1 3.73Å; V351-Y417 HydrophobicContact CG2-CE2 3.88Å; V351-Y417 HydrophobicContact CG2-CG 3.99Å
352	Q	95.3	Very high	89.3	Confident	88 Å²	88	69.8 Å²	69.8	41%	0.411	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.5	174.5	-70.9	67.1	26.7	0	0	112.9	R350 D418	R350-Q352 PolarHBondContact O-N 3.09Å; Q352-D418 HydrophobicContact CG-CB 4.27Å; Q352-D418 WeakPolarHBondContact CG-OD2 3.4Å; Q352-D418 PolarHBondContact OE1-OD2 3Å
353	D	96	Very high	91.3	Very high	111 Å²	111	61.8 Å²	61.8	59%	0.594	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-27.6	179.2	-61.7	-22.3	0	0	0	111.9	R350 V351	R350-D353 HydrophobicContact CB-CB 4.43Å; R350-D353 PolarHBondContact O-N 3.36Å; R350-D353 VanDerWaalsContact O-N 3.1Å; V351-D353 PolarHBondContact O-N 3.47Å
354	Y	97.9	Very high	93.2	Very high	12 Å²	12	57.6 Å²	57.6	5%	0.047	29%	0.291	C	S	.	.	S	Bend	trans	-163.2	119.1	179.8	-166.7	-77.6	0	0	0	109.9	F349 R350 V351 H359 L481 L484 R485 T488	F349-Y354 WeakPolarHBondContact CE1-O 3.33Å; F349-Y354 AromaticContact CZ-CD1 3.87Å; F349-Y354 HydrophobicContact CZ-CD1 3.87Å; F349-Y354 HydrophobicContact CZ-CG 4.28Å; F349-Y354 WeakPolarHBondContact CZ-O 3.33Å; R350-Y354 PolarHBondContact O-N 3.36Å; V351-Y354 CarbonylContact O-C 3.11Å; V351-Y354 PolarHBondContact O-N 2.93Å; V351-Y354 VanDerWaalsContact O-N 3.13Å; Y354-H359 HydrophobicContact CD1-CB 4.12Å; Y354-H359 HydrophobicContact CD2-CB 3.83Å; Y354-H359 AromaticContact CD2-CG 3.9Å; Y354-H359 HydrophobicContact CE1-CB 3.82Å; Y354-H359 HydrophobicContact CE2-CB 3.51Å; Y354-H359 HydrophobicContact CG-CB 4.13Å; Y354-H359 VanDerWaalsContact CZ-CB 3.49Å; Y354-L481 HydrophobicContact CD1-CD2 4.13Å; Y354-L481 HydrophobicContact CE1-CD2 4.3Å; Y354-L484 HydrophobicContact CE1-CB 4.33Å; Y354-L484 VanDerWaalsContact OH-C 3.3Å; Y354-L484 WeakPolarHBondContact OH-CB 2.94Å; Y354-L484 PolarHBondContact OH-O 3.31Å; Y354-R485 HydrophobicContact CD1-CB 4.1Å; Y354-R485 HydrophobicContact CD2-CB 4.15Å; Y354-R485 HydrophobicContact CD2-CG 4Å; Y354-R485 HydrophobicContact CE1-CB 4.15Å; Y354-R485 HydrophobicContact CE2-CB 4.19Å; Y354-R485 HydrophobicContact CE2-CG 4.4Å; Y354-R485 HydrophobicContact CG-CB 4.09Å; Y354-R485 HydrophobicContact CG-CG 4.08Å; Y354-T488 HydrophobicContact CE2-CG2 4.19Å; Y354-T488 WeakPolarHBondContact CE2-OG1 3.31Å; Y354-T488 PolarHBondContact OH-OG1 3.3Å
355	C	97.5	Very high	94.7	Very high	7 Å²	7	54.5 Å²	54.5	5%	0.047	28%	0.277	C	S	.	.			trans	-127.4	171	179.3	65.2	0	0	0	0	111.8	V351 D358 H359 G360	V351-C355 HydrophobicContact CG1-CB 3.52Å; V351-C355 WeakPolarHBondContact O-CB 3.45Å; V351-C355 PolarHBondContact O-N 2.8Å; C355-D358 WeakPolarHBondContact SG-CB 3.41Å; C355-D358 VanDerWaalsContact SG-CG 3.51Å; C355-D358 PolarHBondContact SG-N 3.14Å; C355-D358 PolarHBondContact SG-OD2 3.24Å; C355-H359 PolarHBondContact N-ND1 3.47Å; C355-H359 VanDerWaalsContact N-ND1 3.2Å; C355-H359 WeakPolarHBondContact O-CB 3.38Å; C355-H359 PolarHBondContact O-N 2.93Å; C355-G360 PolarHBondContact O-N 3.16Å
356	W	97.9	Very high	95.9	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.008	26%	0.264	C	S	.	.	I	π-helix	trans	-68.1	-47.1	178.4	169.9	-103.8	0	0	0	110.3	G360 Y361 V364 I375 D376 F379 Q477 L480 L481 L484	W356-G360 WeakPolarHBondContact O-CA 3.49Å; W356-G360 PolarHBondContact O-N 2.91Å; W356-Y361 HydrophobicContact CZ2-CD2 4.37Å; W356-Y361 WeakPolarHBondContact O-CB 3.4Å; W356-Y361 PolarHBondContact O-N 3.49Å; W356-V364 HydrophobicContact CH2-CG2 4.49Å; W356-V364 HydrophobicContact CZ3-CG2 4.28Å; W356-I375 HydrophobicContact CH2-CB 4.01Å; W356-I375 HydrophobicContact CH2-CD1 4.35Å; W356-I375 HydrophobicContact CH2-CG2 3.61Å; W356-I375 HydrophobicContact CZ2-CB 3.98Å; W356-I375 HydrophobicContact CZ2-CG2 3.64Å; W356-I375 HydrophobicContact CZ3-CG2 4.43Å; W356-D376 HydrophobicContact CZ2-CB 4.35Å; W356-D376 PolarHBondContact NE1-OD1 3.33Å; W356-F379 HydrophobicContact CD2-CD2 4.21Å; W356-F379 AromaticContact CD2-CE2 3.94Å; W356-F379 HydrophobicContact CD2-CE2 3.94Å; W356-F379 AromaticContact CE2-CD2 3.92Å; W356-F379 AromaticContact CE2-CE2 3.92Å; W356-F379 HydrophobicContact CE3-CE2 4.23Å; W356-F379 HydrophobicContact CG-CD2 4.34Å; W356-F379 HydrophobicContact CG-CE2 4.36Å; W356-F379 HydrophobicContact CH2-CE2 4.49Å; W356-F379 HydrophobicContact CZ2-CD2 4.4Å; W356-F379 HydrophobicContact CZ2-CE2 4.21Å; W356-F379 HydrophobicContact CZ3-CE2 4.5Å; W356-F379 AromaticContact NE1-CD2 3.84Å; W356-Q477 HydrophobicContact CB-CG 4.44Å; W356-L480 HydrophobicContact CH2-CD1 4.5Å; W356-L480 HydrophobicContact CZ3-CD1 4.05Å; W356-L481 HydrophobicContact CB-CD2 4.26Å; W356-L484 HydrophobicContact CE3-CD1 4.31Å; W356-L484 HydrophobicContact CZ3-CD1 3.89Å
357	E	96.5	Very high	96.6	Very high	106 Å²	106	53 Å²	53	50%	0.495	26%	0.263	S	S	.	.	I	π-helix	trans	-63.3	-49.1	-171.1	-62.6	72.2	-160.7	0	0	111.7
358	D	96.5	Very high	97	Very high	122 Å²	122	48.7 Å²	48.7	65%	0.652	23%	0.234	S	C	*	.	I	π-helix	trans	-86.6	-26.8	-176	-57.4	-36	0	0	0	112.8	C355	C355-D358 WeakPolarHBondContact SG-CB 3.41Å; C355-D358 VanDerWaalsContact SG-CG 3.51Å; C355-D358 PolarHBondContact SG-N 3.14Å; C355-D358 PolarHBondContact SG-OD2 3.24Å
359	H	97.9	Very high	97.1	Very high	65 Å²	65	50.5 Å²	50.5	30%	0.301	25%	0.247	S	C	.	.	I	π-helix	trans	-124.6	-57.4	-169.2	-49.1	81.4	0	0	0	113.4	Y354 C355 Y361 S362 L363	Y354-H359 HydrophobicContact CD1-CB 4.12Å; Y354-H359 HydrophobicContact CD2-CB 3.83Å; Y354-H359 AromaticContact CD2-CG 3.9Å; Y354-H359 HydrophobicContact CE1-CB 3.82Å; Y354-H359 HydrophobicContact CE2-CB 3.51Å; Y354-H359 HydrophobicContact CG-CB 4.13Å; Y354-H359 VanDerWaalsContact CZ-CB 3.49Å; C355-H359 PolarHBondContact N-ND1 3.47Å; C355-H359 VanDerWaalsContact N-ND1 3.2Å; C355-H359 WeakPolarHBondContact O-CB 3.38Å; C355-H359 PolarHBondContact O-N 2.93Å; H359-Y361 PolarHBondContact O-N 3.46Å; H359-S362 PolarHBondContact O-N 3.16Å; H359-S362 PolarHBondContact O-OG 3.12Å; H359-L363 WeakPolarHBondContact O-CB 3.48Å; H359-L363 PolarHBondContact O-N 2.95Å; H359-L363 VanDerWaalsContact O-N 3.11Å
360	G	97.8	Very high	97.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.269	C	S	.	.	I	π-helix	trans	-58.9	-49.8	-173.8	0	0	0	0	0	113.1	C355 W356 S362 L363 V364	C355-G360 PolarHBondContact O-N 3.16Å; W356-G360 WeakPolarHBondContact O-CA 3.49Å; W356-G360 PolarHBondContact O-N 2.91Å; G360-S362 PolarHBondContact O-N 3.46Å; G360-L363 PolarHBondContact O-N 3.28Å; G360-V364 WeakPolarHBondContact O-CB 3.33Å; G360-V364 WeakPolarHBondContact O-CG2 3.44Å; G360-V364 PolarHBondContact O-N 3.37Å
361	Y	97.9	Very high	97.2	Very high	74 Å²	74	50.2 Å²	50.2	29%	0.29	25%	0.252	S	S	.	.	H	α-helix	trans	-53.9	-54.2	179.4	175	-90	0	0	0	111.7	W356 H359 L363 V364 N365 D376	W356-Y361 HydrophobicContact CZ2-CD2 4.37Å; W356-Y361 WeakPolarHBondContact O-CB 3.4Å; W356-Y361 PolarHBondContact O-N 3.49Å; H359-Y361 PolarHBondContact O-N 3.46Å; Y361-L363 PolarHBondContact O-N 3.45Å; Y361-V364 PolarHBondContact O-N 3.03Å; Y361-N365 VanDerWaalsContact O-CB 3.31Å; Y361-N365 WeakPolarHBondContact O-CB 3.21Å; Y361-N365 PolarHBondContact O-N 2.95Å; Y361-D376 HydrophobicContact CD2-CB 3.91Å; Y361-D376 HydrophobicContact CE2-CB 3.99Å
362	S	97.1	Very high	97.2	Very high	64 Å²	64	49.6 Å²	49.6	45%	0.448	25%	0.249	S	C	.	.	H	α-helix	trans	-67.8	-37.3	-175.1	67.8	0	0	0	0	112.2	H359 G360 R366	H359-S362 PolarHBondContact O-N 3.16Å; H359-S362 PolarHBondContact O-OG 3.12Å; G360-S362 PolarHBondContact O-N 3.46Å; S362-R366 VanDerWaalsContact O-CB 3.23Å; S362-R366 WeakPolarHBondContact O-CB 3.38Å; S362-R366 PolarHBondContact O-N 3.1Å
363	L	98.1	Very high	97.3	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-50	176.2	176	62.6	0	0	0	111.6	H359 G360 Y361 R366 L367 L484 I487 T488 M491	H359-L363 WeakPolarHBondContact O-CB 3.48Å; H359-L363 PolarHBondContact O-N 2.95Å; H359-L363 VanDerWaalsContact O-N 3.11Å; G360-L363 PolarHBondContact O-N 3.28Å; Y361-L363 PolarHBondContact O-N 3.45Å; L363-R366 PolarHBondContact O-N 2.83Å; L363-L367 HydrophobicContact CD1-CD1 3.66Å; L363-L367 HydrophobicContact CD1-CG 4.39Å; L363-L367 HydrophobicContact CG-CD1 4.29Å; L363-L367 PolarHBondContact O-N 3.28Å; L363-L484 HydrophobicContact CD2-CB 4.04Å; L363-L484 HydrophobicContact CD2-CD2 3.95Å; L363-L484 WeakPolarHBondContact CD2-O 3.07Å; L363-L484 HydrophobicContact CG-CD2 4.44Å; L363-I487 HydrophobicContact CD1-CG2 4.47Å; L363-I487 HydrophobicContact CD2-CB 4.25Å; L363-I487 HydrophobicContact CD2-CG2 4.03Å; L363-T488 WeakPolarHBondContact CD2-OG1 3.44Å; L363-M491 HydrophobicContact CD1-SD 3.89Å
364	V	97.9	Very high	97.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.1	-49.2	-178.6	169.3	0	0	0	0	109.9	V200 V204 W356 G360 Y361 R366 L367 Y368 V371 L484	V200-V364 HydrophobicContact CG1-CB 4.48Å; V200-V364 HydrophobicContact CG1-CG1 4.22Å; V200-V364 HydrophobicContact CG1-CG2 4.31Å; V204-V364 HydrophobicContact CG2-CG1 4.41Å; W356-V364 HydrophobicContact CH2-CG2 4.49Å; W356-V364 HydrophobicContact CZ3-CG2 4.28Å; G360-V364 WeakPolarHBondContact O-CB 3.33Å; G360-V364 WeakPolarHBondContact O-CG2 3.44Å; G360-V364 PolarHBondContact O-N 3.37Å; Y361-V364 PolarHBondContact O-N 3.03Å; V364-R366 PolarHBondContact O-N 3.44Å; V364-L367 PolarHBondContact O-N 3.11Å; V364-L367 VanDerWaalsContact O-N 3.09Å; V364-Y368 CarbonylContact O-C 3.4Å; V364-Y368 PolarHBondContact O-N 2.97Å; V364-V371 HydrophobicContact CG1-CG1 3.14Å; V364-L484 HydrophobicContact CG2-CD1 3.43Å; V364-L484 VanDerWaalsContact CG2-CD1 3.43Å; V364-L484 HydrophobicContact CG2-CD2 3.42Å; V364-L484 VanDerWaalsContact CG2-CD2 3.42Å; V364-L484 HydrophobicContact CG2-CG 4.06Å
365	N	96.7	Very high	97.5	Very high	48 Å²	48	46.3 Å²	46.3	26%	0.257	23%	0.231	S	C	.	.	H	α-helix	trans	-64.5	-27.6	-178.9	-156.8	57	0	0	0	113.1	Y361 P369 D370	Y361-N365 VanDerWaalsContact O-CB 3.31Å; Y361-N365 WeakPolarHBondContact O-CB 3.21Å; Y361-N365 PolarHBondContact O-N 2.95Å; N365-P369 WeakPolarHBondContact O-CA 3.48Å; N365-D370 WeakPolarHBondContact OD1-CA 3.48Å; N365-D370 PolarHBondContact OD1-N 2.76Å
366	R	97.3	Very high	97.5	Very high	151 Å²	151	48.7 Å²	48.7	57%	0.57	24%	0.243	S	C	*	.	H	α-helix	trans	-72.6	-32.8	175	-179.2	170.4	61.2	100.3	-0.2	113.1	S362 L363 V364 M491	S362-R366 VanDerWaalsContact O-CB 3.23Å; S362-R366 WeakPolarHBondContact O-CB 3.38Å; S362-R366 PolarHBondContact O-N 3.1Å; L363-R366 PolarHBondContact O-N 2.83Å; V364-R366 PolarHBondContact O-N 3.44Å; R366-M491 VanDerWaalsContact NH1-CE 3.29Å; R366-M491 PolarHBondContact NH2-SD 2.84Å
367	L	97.6	Very high	97.5	Very high	24 Å²	24	52.1 Å²	52.1	13%	0.126	26%	0.259	C	S	.	.	H	α-helix	trans	-98.9	-26.3	-174.4	-69.1	175.2	0	0	0	113	L196 A197 V200 L363 V364 M491	L196-L367 HydrophobicContact CB-CD1 4.13Å; L196-L367 HydrophobicContact CB-CD2 3.81Å; A197-L367 WeakPolarHBondContact CA-O 3.02Å; A197-L367 VanDerWaalsContact CB-O 3.25Å; A197-L367 WeakPolarHBondContact CB-O 3.35Å; V200-L367 HydrophobicContact CB-CB 4.07Å; V200-L367 HydrophobicContact CG1-CB 4.28Å; V200-L367 HydrophobicContact CG2-CB 3.89Å; V200-L367 HydrophobicContact CG2-CD1 3.47Å; V200-L367 VanDerWaalsContact CG2-CD1 3.47Å; V200-L367 HydrophobicContact CG2-CG 4.32Å; L363-L367 HydrophobicContact CD1-CD1 3.66Å; L363-L367 HydrophobicContact CD1-CG 4.39Å; L363-L367 HydrophobicContact CG-CD1 4.29Å; L363-L367 PolarHBondContact O-N 3.28Å; V364-L367 PolarHBondContact O-N 3.11Å; V364-L367 VanDerWaalsContact O-N 3.09Å; L367-M491 HydrophobicContact CD1-SD 4.42Å
368	Y	97.5	Very high	97.6	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.008	24%	0.236	C	C	.	.	S	Bend	trans	-140.4	95.2	171.1	-175.4	-162.9	0	0	0	107.6	Y104 L105 P111 H201 V364 V371	Y104-Y368 HydrophobicContact CD1-CE1 4.42Å; Y104-Y368 HydrophobicContact CD1-CE2 4.44Å; Y104-Y368 AromaticContact CD1-CZ 3.92Å; Y104-Y368 HydrophobicContact CE1-CD2 4.25Å; Y104-Y368 HydrophobicContact CE1-CE1 4.1Å; Y104-Y368 AromaticContact CE1-CE2 3.53Å; Y104-Y368 HydrophobicContact CE1-CE2 3.53Å; Y104-Y368 AromaticContact CE1-CZ 3.44Å; Y104-Y368 VanDerWaalsContact CE1-CZ 3.44Å; Y104-Y368 PolarHBondContact O-OH 3.19Å; L105-Y368 HydrophobicContact CD2-CE1 3.95Å; P111-Y368 HydrophobicContact CG-CD2 4.25Å; H201-Y368 HydrophobicContact CB-CD1 4.08Å; H201-Y368 HydrophobicContact CB-CE1 4.31Å; H201-Y368 AromaticContact CD2-CE1 3.42Å; H201-Y368 VanDerWaalsContact CD2-CE1 3.42Å; H201-Y368 WeakPolarHBondContact CD2-CE1 3.21Å; H201-Y368 AromaticContact CE1-CE1 3.68Å; H201-Y368 AromaticContact CE1-CZ 3.5Å; H201-Y368 PolarHBondContact CE1-OH 3.14Å; H201-Y368 VanDerWaalsContact CE1-OH 3.23Å; H201-Y368 AromaticContact CG-CD1 3.93Å; H201-Y368 AromaticContact CG-CE1 3.65Å; H201-Y368 AromaticContact ND1-CE1 3.83Å; H201-Y368 AromaticContact ND1-CZ 3.84Å; H201-Y368 AromaticContact NE2-CE1 3.47Å; H201-Y368 WeakPolarHBondContact NE2-CE1 3.49Å; H201-Y368 AromaticContact NE2-CZ 3.68Å; H201-Y368 PolarHBondContact NE2-OH 3.33Å; V364-Y368 CarbonylContact O-C 3.4Å; V364-Y368 PolarHBondContact O-N 2.97Å; Y368-V371 HydrophobicContact CD1-CB 3.72Å; Y368-V371 HydrophobicContact CD1-CG1 3.59Å; Y368-V371 HydrophobicContact CD1-CG2 3.92Å; Y368-V371 HydrophobicContact CE1-CB 4Å; Y368-V371 HydrophobicContact CE1-CG1 4.35Å; Y368-V371 HydrophobicContact CE1-CG2 3.86Å; Y368-V371 HydrophobicContact CG-CB 4.12Å; Y368-V371 HydrophobicContact CG-CG1 3.88Å; Y368-V371 WeakPolarHBondContact O-CG1 3.46Å
369	P	96.6	Very high	97.7	Very high	72 Å²	72	41.7 Å²	41.7	47%	0.468	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	150.8	-176	-29.4	36.8	0	0	0	113.4	Y104 N365 V371	Y104-P369 PolarHBondContact OH-O 2.83Å; N365-P369 WeakPolarHBondContact O-CA 3.48Å; P369-V371 PolarHBondContact O-N 2.58Å
370	D	96	Very high	97.7	Very high	88 Å²	88	44.3 Å²	44.3	47%	0.471	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	-22.4	176.8	-50.6	-43.3	0	0	0	116.3	Y104 N365 G372 Q373 L374	Y104-D370 HydrophobicContact CE2-CB 4.33Å; N365-D370 WeakPolarHBondContact OD1-CA 3.48Å; N365-D370 PolarHBondContact OD1-N 2.76Å; D370-G372 PolarHBondContact O-N 2.98Å; D370-Q373 WeakPolarHBondContact O-CB 3.39Å; D370-Q373 PolarHBondContact O-N 2.94Å; D370-Q373 VanDerWaalsContact O-N 3.11Å; D370-L374 PolarHBondContact O-N 3.48Å
371	V	97.7	Very high	97.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-30.1	-180	86.5	0	0	0	0	111.9	Y104 L105 V204 V364 Y368 P369 Q373 L374 I375	Y104-V371 HydrophobicContact CD1-CB 4.23Å; Y104-V371 HydrophobicContact CD1-CG2 4.15Å; Y104-V371 HydrophobicContact CE1-CB 3.91Å; Y104-V371 HydrophobicContact CE1-CG2 4.3Å; L105-V371 HydrophobicContact CD2-CG2 3.68Å; V204-V371 HydrophobicContact CG1-CG2 4.16Å; V364-V371 HydrophobicContact CG1-CG1 3.14Å; Y368-V371 HydrophobicContact CD1-CB 3.72Å; Y368-V371 HydrophobicContact CD1-CG1 3.59Å; Y368-V371 HydrophobicContact CD1-CG2 3.92Å; Y368-V371 HydrophobicContact CE1-CB 4Å; Y368-V371 HydrophobicContact CE1-CG1 4.35Å; Y368-V371 HydrophobicContact CE1-CG2 3.86Å; Y368-V371 HydrophobicContact CG-CB 4.12Å; Y368-V371 HydrophobicContact CG-CG1 3.88Å; Y368-V371 WeakPolarHBondContact O-CG1 3.46Å; P369-V371 PolarHBondContact O-N 2.58Å; V371-Q373 VanDerWaalsContact C-N 3.33Å; V371-Q373 PolarHBondContact O-N 2.84Å; V371-L374 PolarHBondContact O-N 3.25Å; V371-I375 HydrophobicContact CG2-CD1 4.12Å; V371-I375 HydrophobicContact CG2-CG1 4.48Å; V371-I375 VanDerWaalsContact O-CG1 3.29Å; V371-I375 WeakPolarHBondContact O-CG1 3.42Å; V371-I375 PolarHBondContact O-N 3.02Å
372	G	97.3	Very high	97.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.3	-42.6	175.7	0	0	0	0	0	111.5	D370 D376	D370-G372 PolarHBondContact O-N 2.98Å; G372-D376 WeakPolarHBondContact O-CB 3.26Å; G372-D376 PolarHBondContact O-N 3.42Å
373	Q	98	Very high	97.7	Very high	114 Å²	114	41.7 Å²	41.7	53%	0.533	20%	0.2	S	C	.	.	H	α-helix	trans	-66	-42.9	176.6	-178	179.5	-12.3	0	0	112.1	D370 V371 D376 E377	D370-Q373 WeakPolarHBondContact O-CB 3.39Å; D370-Q373 PolarHBondContact O-N 2.94Å; D370-Q373 VanDerWaalsContact O-N 3.11Å; V371-Q373 VanDerWaalsContact C-N 3.33Å; V371-Q373 PolarHBondContact O-N 2.84Å; Q373-D376 PolarHBondContact O-N 3.39Å; Q373-E377 WeakPolarHBondContact O-CB 3.33Å; Q373-E377 PolarHBondContact O-N 3.17Å
374	L	98.3	Very high	97.7	Very high	27 Å²	27	44.8 Å²	44.8	14%	0.141	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-43	179.7	-68.4	169.9	0	0	0	112.1	K100 Y104 D370 V371 K378	K100-L374 HydrophobicContact CB-CD2 4.23Å; Y104-L374 VanDerWaalsContact CB-CD1 3.42Å; Y104-L374 HydrophobicContact CD1-CD1 3.67Å; Y104-L374 HydrophobicContact CD2-CD1 3.98Å; Y104-L374 HydrophobicContact CE1-CD1 4.44Å; Y104-L374 HydrophobicContact CG-CD1 3.4Å; D370-L374 PolarHBondContact O-N 3.48Å; V371-L374 PolarHBondContact O-N 3.25Å; L374-K378 WeakPolarHBondContact O-CG 3.49Å; L374-K378 PolarHBondContact O-N 3.13Å
375	I	98.4	Very high	97.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.4	-44	176.7	-65.5	167.3	0	0	0	110.6	V204 W356 V371 E377 K378 F379 M476 L480	V204-I375 HydrophobicContact CG1-CD1 3.81Å; V204-I375 HydrophobicContact CG2-CD1 3.97Å; W356-I375 HydrophobicContact CH2-CB 4.01Å; W356-I375 HydrophobicContact CH2-CD1 4.35Å; W356-I375 HydrophobicContact CH2-CG2 3.61Å; W356-I375 HydrophobicContact CZ2-CB 3.98Å; W356-I375 HydrophobicContact CZ2-CG2 3.64Å; W356-I375 HydrophobicContact CZ3-CG2 4.43Å; V371-I375 HydrophobicContact CG2-CD1 4.12Å; V371-I375 HydrophobicContact CG2-CG1 4.48Å; V371-I375 VanDerWaalsContact O-CG1 3.29Å; V371-I375 WeakPolarHBondContact O-CG1 3.42Å; V371-I375 PolarHBondContact O-N 3.02Å; I375-E377 PolarHBondContact O-N 3.06Å; I375-K378 WeakPolarHBondContact O-CB 3.49Å; I375-K378 PolarHBondContact O-N 3.01Å; I375-F379 HydrophobicContact CG2-CD1 4.44Å; I375-F379 HydrophobicContact CG2-CD2 3.87Å; I375-F379 HydrophobicContact CG2-CE1 4.02Å; I375-F379 HydrophobicContact CG2-CE2 3.37Å; I375-F379 HydrophobicContact CG2-CG 4.4Å; I375-F379 HydrophobicContact CG2-CZ 3.46Å; I375-F379 VanDerWaalsContact CG2-CZ 3.46Å; I375-F379 WeakPolarHBondContact O-CG 3.39Å; I375-F379 PolarHBondContact O-N 3.05Å; I375-M476 HydrophobicContact CD1-CE 4.3Å; I375-M476 HydrophobicContact CG1-CE 4.22Å; I375-M476 HydrophobicContact CG2-CE 4.41Å; I375-L480 HydrophobicContact CD1-CD1 4.42Å; I375-L480 HydrophobicContact CG2-CD1 4.12Å
376	D	98.4	Very high	97.5	Very high	58 Å²	58	45.2 Å²	45.2	31%	0.31	22%	0.22	S	C	.	.	H	α-helix	trans	-61	-43.9	178.9	-169.3	69.1	0	0	0	112.1	W356 Y361 G372 Q373 K378 F379 H380	W356-D376 HydrophobicContact CZ2-CB 4.35Å; W356-D376 PolarHBondContact NE1-OD1 3.33Å; Y361-D376 HydrophobicContact CD2-CB 3.91Å; Y361-D376 HydrophobicContact CE2-CB 3.99Å; G372-D376 WeakPolarHBondContact O-CB 3.26Å; G372-D376 PolarHBondContact O-N 3.42Å; Q373-D376 PolarHBondContact O-N 3.39Å; D376-K378 VanDerWaalsContact C-N 3.34Å; D376-K378 PolarHBondContact O-N 2.98Å; D376-F379 PolarHBondContact O-N 3.08Å; D376-H380 VanDerWaalsContact O-CB 3.3Å; D376-H380 WeakPolarHBondContact O-CB 3.38Å; D376-H380 PolarHBondContact O-N 3.42Å
377	E	98.2	Very high	97.3	Very high	73 Å²	73	43.5 Å²	43.5	34%	0.341	21%	0.214	S	C	.	.	H	α-helix	trans	-58.9	-45.5	175.3	-176.1	179.7	-158.4	0	0	111.2	Q373 I375 H380 I381	Q373-E377 WeakPolarHBondContact O-CB 3.33Å; Q373-E377 PolarHBondContact O-N 3.17Å; I375-E377 PolarHBondContact O-N 3.06Å; E377-H380 PolarHBondContact O-N 3.15Å; E377-I381 HydrophobicContact CG-CD1 3.75Å; E377-I381 HydrophobicContact CG-CG1 4.44Å; E377-I381 WeakPolarHBondContact O-CB 3.38Å; E377-I381 VanDerWaalsContact O-CG1 3.24Å; E377-I381 WeakPolarHBondContact O-CG1 3.41Å; E377-I381 PolarHBondContact O-N 2.98Å
378	K	97.9	Very high	97.2	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.013	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-47.2	175.9	-74.6	-180	49.9	-175.2	0	112.6	S97 T101 L374 I375 D376 H380 I381 A382 E473	S97-K378 VanDerWaalsContact OG-CG 3.28Å; S97-K378 WeakPolarHBondContact OG-CG 3.4Å; T101-K378 HydrophobicContact CG2-CD 4.03Å; T101-K378 WeakPolarHBondContact OG1-CD 3.26Å; L374-K378 WeakPolarHBondContact O-CG 3.49Å; L374-K378 PolarHBondContact O-N 3.13Å; I375-K378 WeakPolarHBondContact O-CB 3.49Å; I375-K378 PolarHBondContact O-N 3.01Å; D376-K378 VanDerWaalsContact C-N 3.34Å; D376-K378 PolarHBondContact O-N 2.98Å; K378-H380 VanDerWaalsContact C-N 3.3Å; K378-H380 PolarHBondContact O-N 3.37Å; K378-I381 PolarHBondContact O-N 3.32Å; K378-A382 WeakPolarHBondContact O-CB 3.2Å; K378-A382 PolarHBondContact O-N 3.43Å; K378-E473 WeakPolarHBondContact CE-OE1 3.35Å; K378-E473 WeakPolarHBondContact CE-OE2 3.39Å; K378-E473 IonicContact NZ-OE1 3.68Å; K378-E473 PolarHBondContact NZ-OE1 3.16Å; K378-E473 IonicContact NZ-OE2 3.79Å; K378-E473 PolarHBondContact NZ-OE2 3Å
379	F	98.4	Very high	96.9	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-45.6	177.7	-70.4	-16.2	0	0	0	110.6	W356 I375 D376 A382 Y383 W406 E473 M476 Q477 L480	W356-F379 HydrophobicContact CD2-CD2 4.21Å; W356-F379 AromaticContact CD2-CE2 3.94Å; W356-F379 HydrophobicContact CD2-CE2 3.94Å; W356-F379 AromaticContact CE2-CD2 3.92Å; W356-F379 AromaticContact CE2-CE2 3.92Å; W356-F379 HydrophobicContact CE3-CE2 4.23Å; W356-F379 HydrophobicContact CG-CD2 4.34Å; W356-F379 HydrophobicContact CG-CE2 4.36Å; W356-F379 HydrophobicContact CH2-CE2 4.49Å; W356-F379 HydrophobicContact CZ2-CD2 4.4Å; W356-F379 HydrophobicContact CZ2-CE2 4.21Å; W356-F379 HydrophobicContact CZ3-CE2 4.5Å; W356-F379 AromaticContact NE1-CD2 3.84Å; I375-F379 HydrophobicContact CG2-CD1 4.44Å; I375-F379 HydrophobicContact CG2-CD2 3.87Å; I375-F379 HydrophobicContact CG2-CE1 4.02Å; I375-F379 HydrophobicContact CG2-CE2 3.37Å; I375-F379 HydrophobicContact CG2-CG 4.4Å; I375-F379 HydrophobicContact CG2-CZ 3.46Å; I375-F379 VanDerWaalsContact CG2-CZ 3.46Å; I375-F379 WeakPolarHBondContact O-CG 3.39Å; I375-F379 PolarHBondContact O-N 3.05Å; D376-F379 PolarHBondContact O-N 3.08Å; F379-A382 PolarHBondContact O-N 3.21Å; F379-Y383 WeakPolarHBondContact O-CB 3.37Å; F379-Y383 PolarHBondContact O-N 3.01Å; F379-W406 HydrophobicContact CD1-CH2 4.44Å; F379-E473 HydrophobicContact CD1-CB 3.97Å; F379-E473 HydrophobicContact CD1-CG 4.42Å; F379-E473 VanDerWaalsContact CD1-OE2 3.26Å; F379-E473 WeakPolarHBondContact CD1-OE2 3.31Å; F379-E473 HydrophobicContact CE1-CB 4.3Å; F379-E473 WeakPolarHBondContact CE1-O 3.37Å; F379-E473 WeakPolarHBondContact CE1-OE2 3.46Å; F379-M476 HydrophobicContact CE1-CB 4.17Å; F379-M476 HydrophobicContact CE1-CG 4.27Å; F379-M476 HydrophobicContact CE1-SD 4.45Å; F379-M476 HydrophobicContact CZ-CB 4.46Å; F379-M476 HydrophobicContact CZ-CG 4.29Å; F379-Q477 HydrophobicContact CD2-CB 4.49Å; F379-Q477 HydrophobicContact CD2-CG 4.3Å; F379-Q477 HydrophobicContact CE1-CB 4.1Å; F379-Q477 HydrophobicContact CE2-CB 3.85Å; F379-Q477 HydrophobicContact CE2-CG 3.79Å; F379-Q477 HydrophobicContact CZ-CB 3.62Å; F379-Q477 HydrophobicContact CZ-CG 4.11Å; F379-L480 HydrophobicContact CE2-CD1 4.41Å; F379-L480 HydrophobicContact CZ-CD1 4Å
380	H	98.1	Very high	96.8	Very high	119 Å²	119	44.2 Å²	44.2	55%	0.551	22%	0.216	S	C	*	.	H	α-helix	trans	-62.1	-45.8	178.5	-173.5	78.8	0	0	0	112.1	D376 E377 K378 N384	D376-H380 VanDerWaalsContact O-CB 3.3Å; D376-H380 WeakPolarHBondContact O-CB 3.38Å; D376-H380 PolarHBondContact O-N 3.42Å; E377-H380 PolarHBondContact O-N 3.15Å; K378-H380 VanDerWaalsContact C-N 3.3Å; K378-H380 PolarHBondContact O-N 3.37Å; H380-N384 PolarHBondContact CE1-ND2 3.41Å; H380-N384 PolarHBondContact ND1-ND2 2.77Å; H380-N384 VanDerWaalsContact ND1-ND2 3.19Å; H380-N384 WeakPolarHBondContact O-CB 3.36Å; H380-N384 PolarHBondContact O-N 3.41Å; H380-N384 PolarHBondContact O-ND2 2.96Å
381	I	98.1	Very high	96.6	Very high	11 Å²	11	40.2 Å²	40.2	6%	0.056	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-54.4	177.4	-68.6	164.1	0	0	0	109.7	Q93 Y94 E377 K378 Y383 N384 L385	Q93-I381 HydrophobicContact CG-CD1 4.13Å; Q93-I381 HydrophobicContact CG-CG1 4.33Å; Q93-I381 HydrophobicContact CG-CG2 4.2Å; Y94-I381 HydrophobicContact CD2-CG2 4.28Å; E377-I381 HydrophobicContact CG-CD1 3.75Å; E377-I381 HydrophobicContact CG-CG1 4.44Å; E377-I381 WeakPolarHBondContact O-CB 3.38Å; E377-I381 VanDerWaalsContact O-CG1 3.24Å; E377-I381 WeakPolarHBondContact O-CG1 3.41Å; E377-I381 PolarHBondContact O-N 2.98Å; K378-I381 PolarHBondContact O-N 3.32Å; I381-Y383 VanDerWaalsContact C-N 3.34Å; I381-Y383 PolarHBondContact O-N 3.42Å; I381-N384 PolarHBondContact O-N 3.04Å; I381-L385 WeakPolarHBondContact O-CA 3.21Å; I381-L385 WeakPolarHBondContact O-CB 3.14Å; I381-L385 PolarHBondContact O-N 3.37Å
382	A	97.9	Very high	96.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-40.8	-177.1	0	0	0	0	0	112.7	Y94 K378 F379 L470 E473	Y94-A382 HydrophobicContact CD2-CB 4.13Å; Y94-A382 HydrophobicContact CE2-CB 4.07Å; K378-A382 WeakPolarHBondContact O-CB 3.2Å; K378-A382 PolarHBondContact O-N 3.43Å; F379-A382 PolarHBondContact O-N 3.21Å; A382-L470 WeakPolarHBondContact O-CD1 3.14Å; A382-E473 HydrophobicContact CB-CB 3.95Å; A382-E473 HydrophobicContact CB-CG 3.56Å
383	Y	97.6	Very high	96.1	Very high	73 Å²	73	46.3 Å²	46.3	29%	0.286	22%	0.224	S	C	.	.	H	α-helix	trans	-66.4	-39.9	179.4	-173.3	-92.8	0	0	0	112	F379 I381 R402 W406	F379-Y383 WeakPolarHBondContact O-CB 3.37Å; F379-Y383 PolarHBondContact O-N 3.01Å; I381-Y383 VanDerWaalsContact C-N 3.34Å; I381-Y383 PolarHBondContact O-N 3.42Å; Y383-R402 PolarHBondContact O-NH1 3.19Å; Y383-W406 AromaticContact CD2-CD2 3.81Å; Y383-W406 HydrophobicContact CD2-CD2 3.81Å; Y383-W406 AromaticContact CD2-CE3 3.8Å; Y383-W406 HydrophobicContact CD2-CE3 3.8Å; Y383-W406 HydrophobicContact CD2-CG 4.15Å; Y383-W406 HydrophobicContact CD2-CZ3 4.28Å; Y383-W406 HydrophobicContact CE2-CB 4.24Å; Y383-W406 HydrophobicContact CE2-CD2 4.25Å; Y383-W406 HydrophobicContact CE2-CG 4.11Å
384	N	97.4	Very high	95.8	Very high	71 Å²	71	48.7 Å²	48.7	38%	0.38	23%	0.233	S	C	.	.	H	α-helix	trans	-98.3	-6	-174.6	-64.5	-62.9	0	0	0	114.8	H380 I381 T386	H380-N384 PolarHBondContact CE1-ND2 3.41Å; H380-N384 PolarHBondContact ND1-ND2 2.77Å; H380-N384 VanDerWaalsContact ND1-ND2 3.19Å; H380-N384 WeakPolarHBondContact O-CB 3.36Å; H380-N384 PolarHBondContact O-N 3.41Å; H380-N384 PolarHBondContact O-ND2 2.96Å; I381-N384 PolarHBondContact O-N 3.04Å; N384-T386 PolarHBondContact O-N 3.2Å
385	L	95.9	Very high	95.6	Very high	10 Å²	10	54.8 Å²	54.8	5%	0.052	27%	0.266	C	S	.	.			trans	-56.2	124.7	-179.3	-176.8	61.9	0	0	0	109.6	H91 I381 Y387 R402 H466	H91-L385 HydrophobicContact CB-CD2 3.98Å; I381-L385 WeakPolarHBondContact O-CA 3.21Å; I381-L385 WeakPolarHBondContact O-CB 3.14Å; I381-L385 PolarHBondContact O-N 3.37Å; L385-Y387 HydrophobicContact CD1-CE2 4.15Å; L385-Y387 HydrophobicContact CG-CE2 4.31Å; L385-R402 WeakPolarHBondContact O-CD 3.08Å; L385-R402 PolarHBondContact O-NE 3.17Å; L385-H466 WeakPolarHBondContact CB-NE2 3.19Å; L385-H466 PolarHBondContact O-CE1 3.29Å; L385-H466 PolarHBondContact O-NE2 3.24Å; L385-H466 VanDerWaalsContact O-NE2 3.11Å
386	T	94.8	Very high	95.4	Very high	46 Å²	46	55.5 Å²	55.5	28%	0.282	27%	0.27	S	S	.	.			trans	-156.8	140.1	175.4	-178.1	0	0	0	0	109.1	N384 N388 T398	N384-T386 PolarHBondContact O-N 3.2Å; T386-N388 PolarHBondContact OG1-N 2.91Å; T386-N388 PolarHBondContact OG1-OD1 2.91Å; T386-T398 PolarHBondContact OG1-OG1 3.16Å
387	Y	93	Very high	95.2	Very high	115 Å²	115	56.5 Å²	56.5	45%	0.451	28%	0.275	S	S	.	.			trans	-105.6	7.8	168.3	-57.5	-77.5	0	0	0	111.3	H91 L385 T389	H91-Y387 AromaticContact CE1-CE2 3.64Å; H91-Y387 AromaticContact ND1-CE2 3.36Å; H91-Y387 WeakPolarHBondContact ND1-CE2 3.45Å; H91-Y387 AromaticContact ND1-CZ 3.59Å; H91-Y387 PolarHBondContact ND1-OH 2.65Å; L385-Y387 HydrophobicContact CD1-CE2 4.15Å; L385-Y387 HydrophobicContact CG-CE2 4.31Å; Y387-T389 PolarHBondContact O-N 2.9Å
388	N	94.7	Very high	95	Very high	72 Å²	72	53.6 Å²	53.6	39%	0.385	26%	0.263	S	S	.	.	S	Bend	trans	50.8	36.5	-170.9	-56.4	-33	0	0	0	112.4	T386 K394 D395 V396	T386-N388 PolarHBondContact OG1-N 2.91Å; T386-N388 PolarHBondContact OG1-OD1 2.91Å; N388-K394 CarbonylContact O-C 3.46Å; N388-D395 PolarHBondContact O-N 3.09Å; N388-V396 CarbonylContact C-O 3.01Å; N388-V396 WeakPolarHBondContact CA-O 3.46Å; N388-V396 PolarHBondContact O-N 2.9Å
389	T	93.2	Very high	94.9	Very high	39 Å²	39	55.4 Å²	55.4	24%	0.239	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.8	175.3	61.8	0	0	0	0	110.3	Y387 H393 K394	Y387-T389 PolarHBondContact O-N 2.9Å; T389-H393 VanDerWaalsContact CA-O 3.28Å; T389-H393 WeakPolarHBondContact CA-O 3.16Å; T389-K394 HydrophobicContact CG2-CG 4.43Å
390	M	92.9	Very high	94.7	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	106.1	169	-175.3	176.6	-70	0	0	108.2	V273 L276 M277 M280 M392 H393 V396 T398 L401 F459 E463	V273-M390 HydrophobicContact CG1-CG 4.02Å; V273-M390 HydrophobicContact CG1-SD 4.11Å; L276-M390 HydrophobicContact CD2-CE 4.39Å; L276-M390 HydrophobicContact CD2-SD 4.03Å; L276-M390 HydrophobicContact CG-SD 4.48Å; M277-M390 HydrophobicContact CG-SD 3.82Å; M280-M390 HydrophobicContact CE-CE 4.33Å; M280-M390 HydrophobicContact SD-CE 3.82Å; M390-M392 PolarHBondContact O-N 2.93Å; M390-M392 VanDerWaalsContact O-N 3.07Å; M390-H393 PolarHBondContact N-O 3.09Å; M390-H393 PolarHBondContact O-N 2.95Å; M390-V396 HydrophobicContact CB-CB 4.29Å; M390-V396 HydrophobicContact CB-CG1 4.15Å; M390-V396 HydrophobicContact CB-CG2 4.35Å; M390-V396 HydrophobicContact CE-CG1 4.28Å; M390-T398 HydrophobicContact CE-CG2 4.1Å; M390-L401 HydrophobicContact CE-CD2 3.58Å; M390-F459 HydrophobicContact CE-CZ 4.49Å; M390-F459 HydrophobicContact CG-CE1 4.28Å; M390-F459 HydrophobicContact CG-CE2 3.78Å; M390-F459 HydrophobicContact CG-CZ 3.48Å; M390-F459 VanDerWaalsContact CG-CZ 3.48Å; M390-F459 HydrophobicContact SD-CZ 4.08Å; M390-E463 WeakPolarHBondContact CA-OE1 3.31Å
391	A	92.3	Very high	94.6	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.033	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	-108.5	-174	0	0	0	0	0	112.2	V273 Q458 F459 E463	V273-A391 HydrophobicContact CG1-CB 4.38Å; V273-A391 HydrophobicContact CG2-CB 4.41Å; A391-Q458 HydrophobicContact CB-CB 3.99Å; A391-Q458 WeakPolarHBondContact CB-O 3.31Å; A391-F459 HydrophobicContact CB-CD2 3.97Å; A391-F459 HydrophobicContact CB-CE2 4.37Å; A391-E463 WeakPolarHBondContact CA-OE2 3.04Å; A391-E463 PolarHBondContact N-OE1 3.38Å; A391-E463 PolarHBondContact N-OE2 2.81Å
392	M	90.7	Very high	94.5	Very high	77 Å²	77	51 Å²	51	38%	0.379	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-14.4	177.7	57	-83.8	172	0	0	113.9	F270 V273 M390	F270-M392 HydrophobicContact CD1-CE 3.54Å; F270-M392 HydrophobicContact CD1-SD 3.9Å; F270-M392 HydrophobicContact CE1-CE 3.95Å; F270-M392 HydrophobicContact CE1-CG 4.18Å; F270-M392 HydrophobicContact CE1-SD 3.66Å; V273-M392 HydrophobicContact CB-CE 3.81Å; V273-M392 HydrophobicContact CG1-CE 3.92Å; V273-M392 HydrophobicContact CG2-CE 4.25Å; M390-M392 PolarHBondContact O-N 2.93Å; M390-M392 VanDerWaalsContact O-N 3.07Å
393	H	93.3	Very high	94.5	Very high	51 Å²	51	52.9 Å²	52.9	24%	0.236	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	143.3	-176.1	-59.9	-83	0	0	0	111.4	M277 T389 M390 V396	M277-H393 HydrophobicContact CE-CB 4.06Å; M277-H393 HydrophobicContact SD-CB 3.96Å; M277-H393 PolarHBondContact SD-CD2 3.24Å; T389-H393 VanDerWaalsContact CA-O 3.28Å; T389-H393 WeakPolarHBondContact CA-O 3.16Å; M390-H393 PolarHBondContact N-O 3.09Å; M390-H393 PolarHBondContact O-N 2.95Å; H393-V396 HydrophobicContact CB-CG2 3.63Å
394	K	93	Very high	94.5	Very high	165 Å²	165	49.4 Å²	49.4	72%	0.717	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	165.5	172.6	-62.6	-176.9	179.4	-177.6	0	109.2	N388 T389 V396	N388-K394 CarbonylContact O-C 3.46Å; T389-K394 HydrophobicContact CG2-CG 4.43Å; K394-V396 PolarHBondContact O-N 2.9Å
395	D	93.6	Very high	94.5	Very high	155 Å²	155	46.2 Å²	46.2	83%	0.829	23%	0.231	S	C	*	.	S	Bend	trans	59	35.6	-179.9	-51.3	-53.2	0	0	0	112.8	N388	N388-D395 PolarHBondContact O-N 3.09Å
396	V	94	Very high	94.7	Very high	15 Å²	15	46 Å²	46	9%	0.091	23%	0.23	C	C	.	.			trans	-101.2	120.2	178.3	-174.6	0	0	0	0	109.5	M277 N388 M390 H393 K394 T398	M277-V396 HydrophobicContact CE-CG1 4.2Å; M277-V396 HydrophobicContact CE-CG2 3.51Å; M277-V396 HydrophobicContact CG-CG1 4.38Å; M277-V396 HydrophobicContact SD-CG2 4.21Å; N388-V396 CarbonylContact C-O 3.01Å; N388-V396 WeakPolarHBondContact CA-O 3.46Å; N388-V396 PolarHBondContact O-N 2.9Å; M390-V396 HydrophobicContact CB-CB 4.29Å; M390-V396 HydrophobicContact CB-CG1 4.15Å; M390-V396 HydrophobicContact CB-CG2 4.35Å; M390-V396 HydrophobicContact CE-CG1 4.28Å; H393-V396 HydrophobicContact CB-CG2 3.63Å; K394-V396 PolarHBondContact O-N 2.9Å; V396-T398 PolarHBondContact O-N 3.35Å
397	D	93.8	Very high	94.8	Very high	78 Å²	78	44.1 Å²	44.1	42%	0.417	22%	0.218	S	C	.	.			trans	-72.6	115.6	169	-178.2	13.3	0	0	0	109.9	M280 S399	M280-D397 WeakPolarHBondContact CE-O 3.49Å; D397-S399 WeakPolarHBondContact OD1-CB 2.96Å; D397-S399 PolarHBondContact OD1-N 3.43Å; D397-S399 PolarHBondContact OD1-OG 2.91Å; D397-S399 VanDerWaalsContact OD1-OG 3.06Å; D397-S399 PolarHBondContact OD2-OG 3.3Å
398	T	94.6	Very high	95	Very high	13 Å²	13	38.6 Å²	38.6	8%	0.08	20%	0.196	C	C	.	.			trans	-94.8	2.9	-179.4	60.2	0	0	0	0	113.5	T386 M390 V396 M400 L401 R402	T386-T398 PolarHBondContact OG1-OG1 3.16Å; M390-T398 HydrophobicContact CE-CG2 4.1Å; V396-T398 PolarHBondContact O-N 3.35Å; T398-M400 PolarHBondContact O-N 3.27Å; T398-L401 PolarHBondContact O-N 3.37Å; T398-L401 VanDerWaalsContact O-N 3.14Å; T398-R402 PolarHBondContact O-N 3.23Å; T398-R402 PolarHBondContact OG1-NE 3.02Å; T398-R402 VanDerWaalsContact OG1-NE 3.09Å
399	S	95	Very high	95.2	Very high	41 Å²	41	35.2 Å²	35.2	29%	0.287	18%	0.178	S	C	.	.	H	α-helix	trans	-54.6	-47	-173.1	65.5	0	0	0	0	113.7	D397 L401 R402 R403	D397-S399 WeakPolarHBondContact OD1-CB 2.96Å; D397-S399 PolarHBondContact OD1-N 3.43Å; D397-S399 PolarHBondContact OD1-OG 2.91Å; D397-S399 VanDerWaalsContact OD1-OG 3.06Å; D397-S399 PolarHBondContact OD2-OG 3.3Å; S399-L401 VanDerWaalsContact C-N 3.34Å; S399-L401 PolarHBondContact O-N 2.99Å; S399-R402 VanDerWaalsContact CA-NH2 3.25Å; S399-R402 PolarHBondContact O-N 3.33Å; S399-R403 WeakPolarHBondContact O-CB 3.34Å; S399-R403 PolarHBondContact O-N 3.48Å
400	M	94.8	Very high	95.4	Very high	16 Å²	16	33.3 Å²	33.3	8%	0.079	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-42.9	178.5	-64	-170.3	69.6	0	0	112	M280 L283 Q284 T398 R403 A404 L428	M280-M400 HydrophobicContact CE-CB 4.38Å; L283-M400 HydrophobicContact CB-CE 3.49Å; L283-M400 VanDerWaalsContact CB-CE 3.49Å; L283-M400 HydrophobicContact CD1-CE 4.32Å; Q284-M400 HydrophobicContact CB-SD 3.93Å; T398-M400 PolarHBondContact O-N 3.27Å; M400-R403 PolarHBondContact O-N 3.12Å; M400-A404 WeakPolarHBondContact O-CB 3.34Å; M400-A404 PolarHBondContact O-N 3.28Å; M400-L428 HydrophobicContact CB-CD1 4.36Å
401	L	95.7	Very high	95.6	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-65.8	-45	180	-173.7	60.2	0	0	0	111.5	L276 M280 M390 T398 S399 A404 I405 L428 L429 W456	L276-L401 HydrophobicContact CD1-CD1 4.42Å; L276-L401 HydrophobicContact CD2-CD1 4.48Å; L276-L401 HydrophobicContact CD2-CD2 4.11Å; M280-L401 HydrophobicContact CE-CB 4.21Å; M280-L401 HydrophobicContact SD-CB 4.29Å; M390-L401 HydrophobicContact CE-CD2 3.58Å; T398-L401 PolarHBondContact O-N 3.37Å; T398-L401 VanDerWaalsContact O-N 3.14Å; S399-L401 VanDerWaalsContact C-N 3.34Å; S399-L401 PolarHBondContact O-N 2.99Å; L401-A404 PolarHBondContact O-N 2.62Å; L401-I405 HydrophobicContact CG-CD1 4.49Å; L401-I405 WeakPolarHBondContact O-CG1 3.42Å; L401-I405 PolarHBondContact O-N 3.24Å; L401-L428 HydrophobicContact CD1-CB 4.2Å; L401-L429 HydrophobicContact CD1-CD2 3.86Å; L401-W456 HydrophobicContact CD1-CH2 3.72Å; L401-W456 HydrophobicContact CD1-CZ2 3.75Å; L401-W456 HydrophobicContact CD2-CH2 3.53Å; L401-W456 HydrophobicContact CD2-CZ2 3.97Å; L401-W456 HydrophobicContact CD2-CZ3 4.15Å; L401-W456 HydrophobicContact CG-CH2 3.75Å; L401-W456 HydrophobicContact CG-CZ2 4.24Å
402	R	97	Very high	95.7	Very high	21 Å²	21	33.1 Å²	33.1	8%	0.079	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-45.5	175.6	-71.5	-177.6	-77.9	106.1	-7.3	111.4	Y383 L385 T398 S399 A404 I405 W406 L470	Y383-R402 PolarHBondContact O-NH1 3.19Å; L385-R402 WeakPolarHBondContact O-CD 3.08Å; L385-R402 PolarHBondContact O-NE 3.17Å; T398-R402 PolarHBondContact O-N 3.23Å; T398-R402 PolarHBondContact OG1-NE 3.02Å; T398-R402 VanDerWaalsContact OG1-NE 3.09Å; S399-R402 VanDerWaalsContact CA-NH2 3.25Å; S399-R402 PolarHBondContact O-N 3.33Å; R402-A404 VanDerWaalsContact C-N 3.33Å; R402-A404 PolarHBondContact O-N 2.89Å; R402-I405 PolarHBondContact O-N 3.29Å; R402-W406 PolarHBondContact O-N 3.01Å; R402-L470 HydrophobicContact CB-CD2 3.99Å; R402-L470 HydrophobicContact CG-CD2 4.12Å
403	R	97.1	Very high	96	Very high	39 Å²	39	29.6 Å²	29.6	15%	0.147	15%	0.147	C	C	.	.	H	α-helix	trans	-60.1	-41.9	176	-171.9	177.8	-176	-152.4	2.9	111.5	S399 M400 W406 N407 D419 Y420	S399-R403 WeakPolarHBondContact O-CB 3.34Å; S399-R403 PolarHBondContact O-N 3.48Å; M400-R403 PolarHBondContact O-N 3.12Å; R403-W406 PolarHBondContact O-N 3.37Å; R403-N407 WeakPolarHBondContact CG-ND2 3.37Å; R403-N407 WeakPolarHBondContact O-CB 3.28Å; R403-N407 PolarHBondContact O-N 3.05Å; R403-N407 PolarHBondContact O-ND2 3.26Å; R403-D419 PolarHBondContact NH2-O 3.18Å; R403-D419 IonicContact NH2-OD2 2.84Å; R403-Y420 HydrophobicContact CG-CD2 4.16Å; R403-Y420 HydrophobicContact CG-CE2 3.84Å
404	A	97.9	Very high	96.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.9	-42.5	177.6	0	0	0	0	0	112.7	M400 L401 R402 Y408 Y420 I425 L428 L429	M400-A404 WeakPolarHBondContact O-CB 3.34Å; M400-A404 PolarHBondContact O-N 3.28Å; L401-A404 PolarHBondContact O-N 2.62Å; R402-A404 VanDerWaalsContact C-N 3.33Å; R402-A404 PolarHBondContact O-N 2.89Å; A404-Y408 VanDerWaalsContact O-CB 3.24Å; A404-Y408 WeakPolarHBondContact O-CB 3.33Å; A404-Y408 PolarHBondContact O-N 3.34Å; A404-Y420 WeakPolarHBondContact CA-OH 3.49Å; A404-I425 HydrophobicContact CB-CG1 4.4Å; A404-L428 HydrophobicContact CB-CB 4.33Å; A404-L428 HydrophobicContact CB-CD1 3.78Å; A404-L429 HydrophobicContact CB-CD2 4.41Å
405	I	98.2	Very high	96.3	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.015	10%	0.102	C	C	.	.	H	α-helix	trans	-60.6	-49.7	175.3	-65.8	163.8	0	0	0	110.7	L401 R402 N407 Y408 I409 L429 F433 I437 W456 L470 L471	L401-I405 HydrophobicContact CG-CD1 4.49Å; L401-I405 WeakPolarHBondContact O-CG1 3.42Å; L401-I405 PolarHBondContact O-N 3.24Å; R402-I405 PolarHBondContact O-N 3.29Å; I405-N407 PolarHBondContact O-N 3.01Å; I405-Y408 PolarHBondContact O-N 3.41Å; I405-I409 HydrophobicContact CG2-CD1 4.12Å; I405-I409 WeakPolarHBondContact O-CG1 3.27Å; I405-I409 PolarHBondContact O-N 3.04Å; I405-I409 VanDerWaalsContact O-N 3.1Å; I405-L429 HydrophobicContact CG1-CD1 4.49Å; I405-L429 HydrophobicContact CG1-CD2 3.99Å; I405-F433 HydrophobicContact CD1-CE1 3.93Å; I405-F433 HydrophobicContact CD1-CZ 3.89Å; I405-F433 HydrophobicContact CG1-CE1 3.81Å; I405-F433 HydrophobicContact CG1-CZ 4.08Å; I405-I437 HydrophobicContact CG1-CD1 4.49Å; I405-I437 HydrophobicContact CG2-CD1 4.31Å; I405-W456 HydrophobicContact CD1-CH2 4Å; I405-W456 HydrophobicContact CD1-CZ3 4.37Å; I405-L470 HydrophobicContact CB-CD2 3.71Å; I405-L470 HydrophobicContact CD1-CD2 3.82Å; I405-L470 HydrophobicContact CG1-CD2 4.39Å; I405-L470 HydrophobicContact CG2-CD2 3.74Å; I405-L470 HydrophobicContact CG2-CG 4.28Å; I405-L471 HydrophobicContact CG2-CD2 3.39Å
406	W	98.5	Very high	96.4	Very high	7 Å²	7	13.6 Å²	13.6	3%	0.027	7%	0.069	C	C	.	.	H	α-helix	trans	-59.4	-47.7	-179.3	-165.2	-78.1	0	0	0	111.6	F379 Y383 R402 R403 Y408 I409 H410 L470 E473 A474 Q477	F379-W406 HydrophobicContact CD1-CH2 4.44Å; Y383-W406 AromaticContact CD2-CD2 3.81Å; Y383-W406 HydrophobicContact CD2-CD2 3.81Å; Y383-W406 AromaticContact CD2-CE3 3.8Å; Y383-W406 HydrophobicContact CD2-CE3 3.8Å; Y383-W406 HydrophobicContact CD2-CG 4.15Å; Y383-W406 HydrophobicContact CD2-CZ3 4.28Å; Y383-W406 HydrophobicContact CE2-CB 4.24Å; Y383-W406 HydrophobicContact CE2-CD2 4.25Å; Y383-W406 HydrophobicContact CE2-CG 4.11Å; R402-W406 PolarHBondContact O-N 3.01Å; R403-W406 PolarHBondContact O-N 3.37Å; W406-Y408 PolarHBondContact O-N 3.39Å; W406-I409 PolarHBondContact O-N 3.12Å; W406-H410 AromaticContact CD1-CD2 3.86Å; W406-H410 AromaticContact CD1-NE2 3.86Å; W406-H410 AromaticContact CE2-NE2 4Å; W406-H410 AromaticContact NE1-CD2 3.75Å; W406-H410 AromaticContact NE1-CE1 3.56Å; W406-H410 AromaticContact NE1-NE2 3.26Å; W406-H410 PolarHBondContact NE1-NE2 3.06Å; W406-H410 PolarHBondContact O-N 3.46Å; W406-L470 HydrophobicContact CE3-CD1 3.52Å; W406-L470 HydrophobicContact CE3-CG 4.13Å; W406-L470 HydrophobicContact CZ3-CD1 3.92Å; W406-E473 HydrophobicContact CH2-CB 3.85Å; W406-E473 HydrophobicContact CZ3-CB 3.9Å; W406-A474 HydrophobicContact CD2-CB 3.54Å; W406-A474 HydrophobicContact CE3-CB 3.59Å; W406-A474 HydrophobicContact CG-CB 4.02Å; W406-A474 HydrophobicContact CH2-CB 4.3Å; W406-A474 HydrophobicContact CZ2-CB 4.23Å; W406-A474 HydrophobicContact CZ3-CB 3.99Å; W406-Q477 HydrophobicContact CZ2-CB 4.05Å; W406-Q477 HydrophobicContact CZ2-CG 4.46Å; W406-Q477 VanDerWaalsContact CZ2-OE1 3.27Å; W406-Q477 VanDerWaalsContact NE1-OE1 3.14Å
407	N	98	Very high	96.6	Very high	5 Å²	5	14.7 Å²	14.7	3%	0.027	7%	0.071	C	C	.	.	H	α-helix	trans	-69.8	-31.9	-179.5	-78.8	-77	0	0	0	112.8	R403 I405 H410 C411 Y417 Y420 Y422 I425	R403-N407 WeakPolarHBondContact CG-ND2 3.37Å; R403-N407 WeakPolarHBondContact O-CB 3.28Å; R403-N407 PolarHBondContact O-N 3.05Å; R403-N407 PolarHBondContact O-ND2 3.26Å; I405-N407 PolarHBondContact O-N 3.01Å; N407-H410 PolarHBondContact O-N 2.86Å; N407-C411 WeakPolarHBondContact O-CB 3.18Å; N407-C411 PolarHBondContact O-N 3.17Å; N407-Y417 WeakPolarHBondContact OD1-CD2 3.25Å; N407-Y420 HydrophobicContact CB-CD1 3.5Å; N407-Y420 HydrophobicContact CB-CE1 3.33Å; N407-Y420 HydrophobicContact CB-CG 4.25Å; N407-Y420 VanDerWaalsContact CG-CD1 3.45Å; N407-Y422 HydrophobicContact CB-CE1 4.2Å; N407-I425 HydrophobicContact CB-CD1 4.35Å
408	Y	98.1	Very high	96.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.8	-43.6	172.7	177.2	-118.9	0	0	0	111.6	E304 A404 I405 W406 C411 M412 I425 L429 K434 I437	E304-Y408 HydrophobicContact CG-CD2 4.4Å; E304-Y408 WeakPolarHBondContact OE1-CD2 3.39Å; E304-Y408 WeakPolarHBondContact OE1-CE2 3.48Å; A404-Y408 VanDerWaalsContact O-CB 3.24Å; A404-Y408 WeakPolarHBondContact O-CB 3.33Å; A404-Y408 PolarHBondContact O-N 3.34Å; I405-Y408 PolarHBondContact O-N 3.41Å; W406-Y408 PolarHBondContact O-N 3.39Å; Y408-C411 WeakPolarHBondContact O-CB 3.15Å; Y408-C411 PolarHBondContact O-N 3.48Å; Y408-M412 HydrophobicContact CD1-CE 4.08Å; Y408-M412 HydrophobicContact CE1-CE 3.84Å; Y408-M412 HydrophobicContact CE1-SD 3.91Å; Y408-M412 HydrophobicContact CE2-CG 4.28Å; Y408-M412 HydrophobicContact CE2-SD 4.45Å; Y408-M412 WeakPolarHBondContact O-CG 3.35Å; Y408-M412 PolarHBondContact O-N 3.27Å; Y408-I425 HydrophobicContact CD2-CG2 3.72Å; Y408-I425 HydrophobicContact CG-CG2 4.04Å; Y408-L429 HydrophobicContact CD1-CD1 3.99Å; Y408-L429 HydrophobicContact CG-CD1 3.96Å; Y408-K434 HydrophobicContact CE1-CB 4.16Å; Y408-K434 HydrophobicContact CE1-CG 4.01Å; Y408-K434 HydrophobicContact CE2-CD 4.12Å; Y408-K434 HydrophobicContact CE2-CG 4.25Å; Y408-I437 HydrophobicContact CD1-CB 4.29Å; Y408-I437 HydrophobicContact CD1-CD1 3.96Å; Y408-I437 HydrophobicContact CD1-CG2 3.86Å; Y408-I437 HydrophobicContact CE1-CB 4.06Å; Y408-I437 HydrophobicContact CE1-CD1 4.31Å; Y408-I437 HydrophobicContact CE1-CG2 3.93Å
409	I	98.1	Very high	96.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.5	-53.4	174.9	-64.4	164	0	0	0	110	I405 W406 C411 M412 F413 I437 V441 L471 A474	I405-I409 HydrophobicContact CG2-CD1 4.12Å; I405-I409 WeakPolarHBondContact O-CG1 3.27Å; I405-I409 PolarHBondContact O-N 3.04Å; I405-I409 VanDerWaalsContact O-N 3.1Å; W406-I409 PolarHBondContact O-N 3.12Å; I409-C411 PolarHBondContact O-N 3.31Å; I409-M412 HydrophobicContact CB-CE 4.42Å; I409-M412 HydrophobicContact CG1-CE 4.15Å; I409-M412 WeakPolarHBondContact O-CB 3.36Å; I409-M412 PolarHBondContact O-N 3.27Å; I409-F413 HydrophobicContact CG2-CD2 3.95Å; I409-F413 HydrophobicContact CG2-CE2 3.95Å; I409-F413 VanDerWaalsContact O-CD2 3.29Å; I409-F413 WeakPolarHBondContact O-CD2 3.39Å; I409-F413 PolarHBondContact O-N 2.9Å; I409-F413 VanDerWaalsContact O-N 3.14Å; I409-I437 HydrophobicContact CD1-CG2 4.22Å; I409-I437 HydrophobicContact CG1-CG2 3.69Å; I409-V441 HydrophobicContact CD1-CG1 4.16Å; I409-V441 HydrophobicContact CG1-CG1 4.27Å; I409-V441 HydrophobicContact CG2-CG1 4.49Å; I409-L471 HydrophobicContact CD1-CB 4.21Å; I409-L471 HydrophobicContact CD1-CD2 3.69Å; I409-A474 HydrophobicContact CB-CB 4.14Å; I409-A474 HydrophobicContact CD1-CB 3.65Å; I409-A474 HydrophobicContact CG2-CB 4.06Å
410	H	98.1	Very high	96.4	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-55.9	-39	177.7	-85.1	-135.2	0	0	0	112.1	W406 N407 M412 F413 G414 I415 Y417 A474 Q477	W406-H410 AromaticContact CD1-CD2 3.86Å; W406-H410 AromaticContact CD1-NE2 3.86Å; W406-H410 AromaticContact CE2-NE2 4Å; W406-H410 AromaticContact NE1-CD2 3.75Å; W406-H410 AromaticContact NE1-CE1 3.56Å; W406-H410 AromaticContact NE1-NE2 3.26Å; W406-H410 PolarHBondContact NE1-NE2 3.06Å; W406-H410 PolarHBondContact O-N 3.46Å; N407-H410 PolarHBondContact O-N 2.86Å; H410-M412 PolarHBondContact O-N 3.48Å; H410-F413 CarbonylContact O-C 3.39Å; H410-F413 WeakPolarHBondContact O-CA 3.47Å; H410-F413 PolarHBondContact O-N 3.37Å; H410-F413 VanDerWaalsContact O-N 3.14Å; H410-G414 PolarHBondContact O-N 2.81Å; H410-I415 CarbonylContact C-O 3.39Å; H410-I415 HydrophobicContact CB-CB 3.93Å; H410-I415 HydrophobicContact CB-CG2 4.22Å; H410-I415 WeakPolarHBondContact ND1-CG2 3.46Å; H410-I415 PolarHBondContact O-N 3.05Å; H410-Y417 HydrophobicContact CB-CE2 4.29Å; H410-Y417 PolarHBondContact CE1-OH 3.09Å; H410-Y417 AromaticContact ND1-CE2 3.41Å; H410-Y417 WeakPolarHBondContact ND1-CE2 3.29Å; H410-Y417 AromaticContact ND1-CZ 3.89Å; H410-Y417 PolarHBondContact ND1-OH 3.46Å; H410-A474 PolarHBondContact NE2-O 3.19Å; H410-Q477 PolarHBondContact CE1-OE1 2.85Å; H410-Q477 PolarHBondContact NE2-OE1 2.84Å
411	C	96.3	Very high	96.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.2	-45.9	174.2	-171.5	0	0	0	0	112.7	F301 K305 N407 Y408 I409 F413 G414 Y422	F301-C411 HydrophobicContact CE2-CB 4.16Å; K305-C411 PolarHBondContact N-SG 3.22Å; N407-C411 WeakPolarHBondContact O-CB 3.18Å; N407-C411 PolarHBondContact O-N 3.17Å; Y408-C411 WeakPolarHBondContact O-CB 3.15Å; Y408-C411 PolarHBondContact O-N 3.48Å; I409-C411 PolarHBondContact O-N 3.31Å; C411-F413 PolarHBondContact O-N 3.08Å; C411-G414 PolarHBondContact O-N 3.44Å; C411-Y422 HydrophobicContact CB-CD1 4.17Å; C411-Y422 HydrophobicContact CB-CE1 3.86Å
412	M	94.6	Very high	96.4	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-59.6	-34.5	175.5	-69.5	-170.8	-68.4	0	0	112.2	Y408 I409 H410 G414 I437 K438 V441	Y408-M412 HydrophobicContact CD1-CE 4.08Å; Y408-M412 HydrophobicContact CE1-CE 3.84Å; Y408-M412 HydrophobicContact CE1-SD 3.91Å; Y408-M412 HydrophobicContact CE2-CG 4.28Å; Y408-M412 HydrophobicContact CE2-SD 4.45Å; Y408-M412 WeakPolarHBondContact O-CG 3.35Å; Y408-M412 PolarHBondContact O-N 3.27Å; I409-M412 HydrophobicContact CB-CE 4.42Å; I409-M412 HydrophobicContact CG1-CE 4.15Å; I409-M412 WeakPolarHBondContact O-CB 3.36Å; I409-M412 PolarHBondContact O-N 3.27Å; H410-M412 PolarHBondContact O-N 3.48Å; M412-G414 VanDerWaalsContact C-N 3.29Å; M412-G414 PolarHBondContact O-N 3.01Å; M412-I437 HydrophobicContact CE-CG2 3.85Å; M412-K438 HydrophobicContact SD-CB 3.81Å; M412-K438 HydrophobicContact SD-CD 4.24Å; M412-K438 HydrophobicContact SD-CG 3.77Å; M412-V441 HydrophobicContact CE-CG2 3.51Å
413	F	96	Very high	96.3	Very high	3 Å²	3	14.3 Å²	14.3	1%	0.013	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	4.2	174.8	-74.1	-85.8	0	0	0	113.7	P175 W176 I409 H410 C411 I415 V441 R475 A478 Y482	P175-F413 HydrophobicContact CG-CD1 3.55Å; P175-F413 HydrophobicContact CG-CE1 3.78Å; W176-F413 AromaticContact CE3-CD1 3.97Å; W176-F413 HydrophobicContact CE3-CD1 3.97Å; W176-F413 AromaticContact CZ3-CD1 3.6Å; W176-F413 HydrophobicContact CZ3-CD1 3.6Å; W176-F413 HydrophobicContact CZ3-CE1 4.12Å; W176-F413 HydrophobicContact CZ3-CG 4.36Å; I409-F413 HydrophobicContact CG2-CD2 3.95Å; I409-F413 HydrophobicContact CG2-CE2 3.95Å; I409-F413 VanDerWaalsContact O-CD2 3.29Å; I409-F413 WeakPolarHBondContact O-CD2 3.39Å; I409-F413 PolarHBondContact O-N 2.9Å; I409-F413 VanDerWaalsContact O-N 3.14Å; H410-F413 CarbonylContact O-C 3.39Å; H410-F413 WeakPolarHBondContact O-CA 3.47Å; H410-F413 PolarHBondContact O-N 3.37Å; H410-F413 VanDerWaalsContact O-N 3.14Å; C411-F413 PolarHBondContact O-N 3.08Å; F413-I415 HydrophobicContact CB-CD1 4.43Å; F413-V441 HydrophobicContact CE2-CG2 4.34Å; F413-R475 HydrophobicContact CZ-CG 4.37Å; F413-A478 HydrophobicContact CB-CB 4.2Å; F413-A478 HydrophobicContact CD2-CB 4.27Å; F413-A478 HydrophobicContact CG-CB 4.11Å; F413-Y482 HydrophobicContact CB-CE2 4.45Å; F413-Y482 WeakPolarHBondContact O-CE2 3.46Å; F413-Y482 PolarHBondContact O-OH 3Å
414	G	95.6	Very high	96.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	22.5	178.6	0	0	0	0	0	114.8	T348 F349 H410 C411 M412	T348-G414 WeakPolarHBondContact CG2-O 3.43Å; F349-G414 PolarHBondContact N-O 3.01Å; H410-G414 PolarHBondContact O-N 2.81Å; C411-G414 PolarHBondContact O-N 3.44Å; M412-G414 VanDerWaalsContact C-N 3.29Å; M412-G414 PolarHBondContact O-N 3.01Å
415	I	97.4	Very high	96	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.5	176.4	-59.4	169.8	0	0	0	109.2	F349 V351 H410 F413 Y417 Y422 A478 L481 Y482	F349-I415 HydrophobicContact CB-CG1 4Å; F349-I415 HydrophobicContact CD1-CB 4.47Å; F349-I415 HydrophobicContact CD1-CG1 4.16Å; F349-I415 HydrophobicContact CD1-CG2 3.95Å; F349-I415 HydrophobicContact CE1-CG2 4.49Å; F349-I415 HydrophobicContact CG-CG1 4.1Å; F349-I415 CarbonylContact O-C 3.55Å; F349-I415 WeakPolarHBondContact O-CA 3.38Å; V351-I415 HydrophobicContact CG2-CG2 3.53Å; H410-I415 CarbonylContact C-O 3.39Å; H410-I415 HydrophobicContact CB-CB 3.93Å; H410-I415 HydrophobicContact CB-CG2 4.22Å; H410-I415 WeakPolarHBondContact ND1-CG2 3.46Å; H410-I415 PolarHBondContact O-N 3.05Å; F413-I415 HydrophobicContact CB-CD1 4.43Å; I415-Y417 HydrophobicContact CG2-CE2 4.47Å; I415-Y422 PolarHBondContact O-OH 2.94Å; I415-A478 HydrophobicContact CD1-CB 3.6Å; I415-L481 HydrophobicContact CD1-CD1 4.08Å; I415-Y482 HydrophobicContact CD1-CD2 4.39Å; I415-Y482 HydrophobicContact CD1-CE2 3.86Å; I415-Y482 HydrophobicContact CG1-CE2 3.82Å
416	R	96.8	Very high	95.7	Very high	34 Å²	34	16 Å²	16	13%	0.128	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.1	-177	-168.6	-178.9	75.6	-167.4	5.7	112.2	F301 T348 F349 R350 V351 D418 Y422	F301-R416 HydrophobicContact CB-CG 4.18Å; F301-R416 HydrophobicContact CD1-CB 4.35Å; F301-R416 HydrophobicContact CD1-CG 4.1Å; F301-R416 HydrophobicContact CD2-CB 3.93Å; F301-R416 HydrophobicContact CD2-CG 3.64Å; F301-R416 HydrophobicContact CE1-CB 4.15Å; F301-R416 HydrophobicContact CE1-CG 4.41Å; F301-R416 HydrophobicContact CE2-CB 3.68Å; F301-R416 HydrophobicContact CE2-CG 3.95Å; F301-R416 HydrophobicContact CG-CB 4.24Å; F301-R416 HydrophobicContact CG-CG 3.69Å; F301-R416 HydrophobicContact CZ-CB 3.8Å; F301-R416 HydrophobicContact CZ-CG 4.33Å; T348-R416 HydrophobicContact CG2-CB 3.69Å; F349-R416 PolarHBondContact O-N 2.77Å; R350-R416 VanDerWaalsContact NE-NH2 3.16Å; V351-R416 WeakPolarHBondContact CG2-O 3.46Å; V351-R416 PolarHBondContact N-O 3.29Å; R416-D418 IonicContact CZ-OD1 2.78Å; R416-D418 VanDerWaalsContact CZ-OD1 3.23Å; R416-D418 IonicContact NE-OD1 2.63Å; R416-D418 PolarHBondContact NE-OD1 3.07Å; R416-D418 IonicContact NH2-OD1 2.73Å; R416-D418 PolarHBondContact NH2-OD1 3.31Å; R416-Y422 WeakPolarHBondContact CA-OH 3.48Å; R416-Y422 HydrophobicContact CG-CE2 3.92Å
417	Y	96.5	Very high	95.5	Very high	38 Å²	38	20.3 Å²	20.3	15%	0.149	11%	0.105	C	C	.	.			trans	-97.7	119.6	165.2	-69.2	-95.9	0	0	0	108.8	V351 N407 H410 I415 D419 Y420 Y422	V351-Y417 HydrophobicContact CB-CD1 3.97Å; V351-Y417 HydrophobicContact CB-CE1 4.04Å; V351-Y417 HydrophobicContact CB-CG 4.38Å; V351-Y417 HydrophobicContact CG1-CD1 3.87Å; V351-Y417 HydrophobicContact CG1-CE1 3.61Å; V351-Y417 HydrophobicContact CG2-CD1 3.87Å; V351-Y417 HydrophobicContact CG2-CD2 3.99Å; V351-Y417 HydrophobicContact CG2-CE1 3.73Å; V351-Y417 HydrophobicContact CG2-CE2 3.88Å; V351-Y417 HydrophobicContact CG2-CG 3.99Å; N407-Y417 WeakPolarHBondContact OD1-CD2 3.25Å; H410-Y417 HydrophobicContact CB-CE2 4.29Å; H410-Y417 PolarHBondContact CE1-OH 3.09Å; H410-Y417 AromaticContact ND1-CE2 3.41Å; H410-Y417 WeakPolarHBondContact ND1-CE2 3.29Å; H410-Y417 AromaticContact ND1-CZ 3.89Å; H410-Y417 PolarHBondContact ND1-OH 3.46Å; I415-Y417 HydrophobicContact CG2-CE2 4.47Å; Y417-D419 WeakPolarHBondContact CB-OD1 3.22Å; Y417-D419 PolarHBondContact O-N 2.92Å; Y417-Y420 PolarHBondContact O-N 3.08Å; Y417-Y422 PolarHBondContact N-OH 2.71Å
418	D	92.9	Very high	95.3	Very high	20 Å²	20	20.2 Å²	20.2	11%	0.107	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-10	178.5	-59.1	-32.2	0	0	0	114	M297 R350 Q352 R416	M297-D418 VanDerWaalsContact SD-O 3.38Å; R350-D418 IonicContact CZ-OD2 3.36Å; R350-D418 IonicContact NE-OD1 3.64Å; R350-D418 IonicContact NE-OD2 3.3Å; R350-D418 PolarHBondContact NE-OD2 3.24Å; R350-D418 IonicContact NH2-OD1 3.66Å; R350-D418 IonicContact NH2-OD2 2.65Å; R350-D418 PolarHBondContact NH2-OD2 2.79Å; Q352-D418 HydrophobicContact CG-CB 4.27Å; Q352-D418 WeakPolarHBondContact CG-OD2 3.4Å; Q352-D418 PolarHBondContact OE1-OD2 3Å; R416-D418 IonicContact CZ-OD1 2.78Å; R416-D418 VanDerWaalsContact CZ-OD1 3.23Å; R416-D418 IonicContact NE-OD1 2.63Å; R416-D418 PolarHBondContact NE-OD1 3.07Å; R416-D418 IonicContact NH2-OD1 2.73Å; R416-D418 PolarHBondContact NH2-OD1 3.31Å
419	D	92.2	Very high	95.2	Very high	99 Å²	99	20.5 Å²	20.5	53%	0.529	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	13.2	177.8	67.3	-49.7	0	0	0	113	R403 Y417	R403-D419 PolarHBondContact NH2-O 3.18Å; R403-D419 IonicContact NH2-OD2 2.84Å; Y417-D419 WeakPolarHBondContact CB-OD1 3.22Å; Y417-D419 PolarHBondContact O-N 2.92Å
420	Y	95.1	Very high	95	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.			trans	-119.8	131.6	179.4	-173.3	-113.1	0	0	0	112.8	R403 A404 N407 Y417 Y422 E424 I425	R403-Y420 HydrophobicContact CG-CD2 4.16Å; R403-Y420 HydrophobicContact CG-CE2 3.84Å; A404-Y420 WeakPolarHBondContact CA-OH 3.49Å; N407-Y420 HydrophobicContact CB-CD1 3.5Å; N407-Y420 HydrophobicContact CB-CE1 3.33Å; N407-Y420 HydrophobicContact CB-CG 4.25Å; N407-Y420 VanDerWaalsContact CG-CD1 3.45Å; Y417-Y420 PolarHBondContact O-N 3.08Å; Y420-Y422 HydrophobicContact CD1-CD1 4.01Å; Y420-Y422 AromaticContact CD1-CD2 3.88Å; Y420-Y422 HydrophobicContact CD1-CD2 3.88Å; Y420-Y422 AromaticContact CD1-CE1 3.94Å; Y420-Y422 HydrophobicContact CD1-CE1 3.94Å; Y420-Y422 AromaticContact CD1-CE2 3.86Å; Y420-Y422 HydrophobicContact CD1-CE2 3.86Å; Y420-Y422 AromaticContact CD1-CG 3.96Å; Y420-Y422 HydrophobicContact CD1-CG 3.96Å; Y420-Y422 AromaticContact CD1-CZ 3.87Å; Y420-Y422 HydrophobicContact CE1-CD1 4.22Å; Y420-Y422 HydrophobicContact CE1-CE1 4.41Å; Y420-Y422 HydrophobicContact CE1-CG 4.32Å; Y420-Y422 WeakPolarHBondContact O-CD2 3.42Å; Y420-Y422 PolarHBondContact O-N 3.08Å; Y420-E424 WeakPolarHBondContact CE2-OE2 3.37Å; Y420-E424 WeakPolarHBondContact OH-CB 3.47Å; Y420-E424 PolarHBondContact OH-OE2 3.3Å; Y420-E424 VanDerWaalsContact OH-OE2 3.09Å; Y420-I425 HydrophobicContact CE1-CD1 3.9Å; Y420-I425 HydrophobicContact CE1-CG1 3.96Å
421	D	94.7	Very high	94.8	Very high	29 Å²	29	31.5 Å²	31.5	16%	0.155	15%	0.152	C	C	.	.			trans	-85.9	98.1	172.7	-177.1	6	0	0	0	111	R300 G423 E424	R300-D421 WeakPolarHBondContact CD-OD1 3.41Å; R300-D421 IonicContact CZ-OD1 3.98Å; R300-D421 IonicContact CZ-OD2 3.55Å; R300-D421 IonicContact NE-OD1 2.94Å; R300-D421 IonicContact NH1-OD1 3.35Å; R300-D421 PolarHBondContact NH1-OD1 2.98Å; R300-D421 IonicContact NH1-OD2 3.82Å; R300-D421 PolarHBondContact NH1-OD2 2.84Å; D421-G423 PolarHBondContact O-N 3.33Å; D421-G423 PolarHBondContact OD1-N 3.31Å; D421-E424 HydrophobicContact CB-CG 4.27Å; D421-E424 WeakPolarHBondContact O-CB 3.43Å; D421-E424 WeakPolarHBondContact O-CG 3.21Å; D421-E424 PolarHBondContact O-N 3.49Å
422	Y	95.6	Very high	94.6	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.1	177.7	-71.2	-93.5	0	0	0	113.7	F301 N407 C411 I415 R416 Y417 Y420 E424 I425	F301-Y422 HydrophobicContact CB-CD2 3.68Å; F301-Y422 HydrophobicContact CB-CE2 4.05Å; F301-Y422 HydrophobicContact CB-CG 3.97Å; F301-Y422 AromaticContact CD2-CD1 3.86Å; F301-Y422 HydrophobicContact CD2-CD1 3.86Å; F301-Y422 HydrophobicContact CD2-CD2 4.01Å; F301-Y422 AromaticContact CD2-CE1 3.59Å; F301-Y422 HydrophobicContact CD2-CE1 3.59Å; F301-Y422 AromaticContact CD2-CE2 3.71Å; F301-Y422 HydrophobicContact CD2-CE2 3.71Å; F301-Y422 HydrophobicContact CD2-CG 4.09Å; F301-Y422 AromaticContact CD2-CZ 3.5Å; F301-Y422 HydrophobicContact CE2-CE1 4.14Å; F301-Y422 HydrophobicContact CG-CD2 4.35Å; F301-Y422 HydrophobicContact CG-CE2 4.31Å; N407-Y422 HydrophobicContact CB-CE1 4.2Å; C411-Y422 HydrophobicContact CB-CD1 4.17Å; C411-Y422 HydrophobicContact CB-CE1 3.86Å; I415-Y422 PolarHBondContact O-OH 2.94Å; R416-Y422 WeakPolarHBondContact CA-OH 3.48Å; R416-Y422 HydrophobicContact CG-CE2 3.92Å; Y417-Y422 PolarHBondContact N-OH 2.71Å; Y420-Y422 HydrophobicContact CD1-CD1 4.01Å; Y420-Y422 AromaticContact CD1-CD2 3.88Å; Y420-Y422 HydrophobicContact CD1-CD2 3.88Å; Y420-Y422 AromaticContact CD1-CE1 3.94Å; Y420-Y422 HydrophobicContact CD1-CE1 3.94Å; Y420-Y422 AromaticContact CD1-CE2 3.86Å; Y420-Y422 HydrophobicContact CD1-CE2 3.86Å; Y420-Y422 AromaticContact CD1-CG 3.96Å; Y420-Y422 HydrophobicContact CD1-CG 3.96Å; Y420-Y422 AromaticContact CD1-CZ 3.87Å; Y420-Y422 HydrophobicContact CE1-CD1 4.22Å; Y420-Y422 HydrophobicContact CE1-CE1 4.41Å; Y420-Y422 HydrophobicContact CE1-CG 4.32Å; Y420-Y422 WeakPolarHBondContact O-CD2 3.42Å; Y420-Y422 PolarHBondContact O-N 3.08Å; Y422-E424 PolarHBondContact O-N 3.41Å; Y422-I425 HydrophobicContact CD1-CD1 3.58Å; Y422-I425 HydrophobicContact CE1-CD1 4.23Å; Y422-I425 HydrophobicContact CG-CD1 4.41Å; Y422-I425 PolarHBondContact O-N 3.41Å
423	G	93.8	Very high	94.7	Very high	21 Å²	21	33.6 Å²	33.6	22%	0.216	17%	0.167	C	C	.	.	H	α-helix	trans	-62.9	-27.7	170.5	0	0	0	0	0	113.2	D421 I425 N426	D421-G423 PolarHBondContact O-N 3.33Å; D421-G423 PolarHBondContact OD1-N 3.31Å; G423-I425 VanDerWaalsContact C-N 3.27Å; G423-I425 PolarHBondContact O-N 3.25Å; G423-N426 PolarHBondContact O-N 3.31Å
424	E	94.2	Very high	94.7	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.037	17%	0.168	C	C	.	.	H	α-helix	trans	-61.5	-34.6	177	-66.2	177.7	-171.8	0	0	112.3	L283 Y420 D421 Y422 N426 Q427 L428	L283-E424 HydrophobicContact CD1-CB 4.45Å; L283-E424 HydrophobicContact CD1-CG 4.41Å; L283-E424 HydrophobicContact CD2-CG 4.48Å; Y420-E424 WeakPolarHBondContact CE2-OE2 3.37Å; Y420-E424 WeakPolarHBondContact OH-CB 3.47Å; Y420-E424 PolarHBondContact OH-OE2 3.3Å; Y420-E424 VanDerWaalsContact OH-OE2 3.09Å; D421-E424 HydrophobicContact CB-CG 4.27Å; D421-E424 WeakPolarHBondContact O-CB 3.43Å; D421-E424 WeakPolarHBondContact O-CG 3.21Å; D421-E424 PolarHBondContact O-N 3.49Å; Y422-E424 PolarHBondContact O-N 3.41Å; E424-N426 VanDerWaalsContact C-N 3.33Å; E424-N426 PolarHBondContact O-N 3.41Å; E424-Q427 WeakPolarHBondContact O-CB 3.49Å; E424-Q427 PolarHBondContact O-N 3.1Å; E424-L428 HydrophobicContact CB-CD1 4.33Å; E424-L428 WeakPolarHBondContact O-CB 3.48Å; E424-L428 WeakPolarHBondContact O-CG 3.38Å; E424-L428 PolarHBondContact O-N 2.79Å
425	I	96	Very high	94.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.9	-44.8	-176.9	-67.9	167.4	0	0	0	110.9	E304 A404 N407 Y408 Y420 Y422 G423 Q427 L428 L429	E304-I425 HydrophobicContact CG-CB 4.39Å; E304-I425 HydrophobicContact CG-CD1 4.01Å; E304-I425 HydrophobicContact CG-CG2 4.19Å; E304-I425 WeakPolarHBondContact OE2-CG2 3.38Å; A404-I425 HydrophobicContact CB-CG1 4.4Å; N407-I425 HydrophobicContact CB-CD1 4.35Å; Y408-I425 HydrophobicContact CD2-CG2 3.72Å; Y408-I425 HydrophobicContact CG-CG2 4.04Å; Y420-I425 HydrophobicContact CE1-CD1 3.9Å; Y420-I425 HydrophobicContact CE1-CG1 3.96Å; Y422-I425 HydrophobicContact CD1-CD1 3.58Å; Y422-I425 HydrophobicContact CE1-CD1 4.23Å; Y422-I425 HydrophobicContact CG-CD1 4.41Å; Y422-I425 PolarHBondContact O-N 3.41Å; G423-I425 VanDerWaalsContact C-N 3.27Å; G423-I425 PolarHBondContact O-N 3.25Å; I425-Q427 PolarHBondContact O-N 2.81Å; I425-L428 PolarHBondContact O-N 3.37Å; I425-L429 HydrophobicContact CG2-CB 4.49Å; I425-L429 HydrophobicContact CG2-CD1 3.96Å; I425-L429 HydrophobicContact CG2-CG 4.21Å; I425-L429 WeakPolarHBondContact O-CB 3.45Å; I425-L429 PolarHBondContact O-N 3.49Å
426	N	91.9	Very high	94.7	Very high	70 Å²	70	34.8 Å²	34.8	37%	0.374	17%	0.173	S	C	.	.	H	α-helix	trans	-67.4	-23.7	178.4	-89.3	-33.8	0	0	0	113.5	E304 E307 G423 E424 K434	E304-N426 VanDerWaalsContact OE2-CG 3.24Å; E304-N426 PolarHBondContact OE2-ND2 3.05Å; E304-N426 PolarHBondContact OE2-OD1 3.3Å; E307-N426 PolarHBondContact OE2-ND2 3.17Å; E307-N426 PolarHBondContact OE2-OD1 2.92Å; G423-N426 PolarHBondContact O-N 3.31Å; E424-N426 VanDerWaalsContact C-N 3.33Å; E424-N426 PolarHBondContact O-N 3.41Å; N426-K434 PolarHBondContact OD1-NZ 3.45Å
427	Q	92.9	Very high	94.7	Very high	96 Å²	96	33.2 Å²	33.2	45%	0.449	17%	0.167	S	C	.	.	H	α-helix	trans	-81.1	-40.6	176.4	-64	-65.5	-11.3	0	0	111.4	K279 L283 E424 I425	K279-Q427 WeakPolarHBondContact CD-O 3.3Å; K279-Q427 PolarHBondContact NZ-O 3.14Å; L283-Q427 HydrophobicContact CD1-CB 3.95Å; L283-Q427 HydrophobicContact CD2-CG 4.39Å; E424-Q427 WeakPolarHBondContact O-CB 3.49Å; E424-Q427 PolarHBondContact O-N 3.1Å; I425-Q427 PolarHBondContact O-N 2.81Å
428	L	95.4	Very high	94.7	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-92.5	-32.9	-170.4	-64.2	174.7	0	0	0	114	L276 M280 L283 M400 L401 A404 E424 I425	L276-L428 HydrophobicContact CD1-CB 4.41Å; L276-L428 HydrophobicContact CD1-CD2 3.86Å; L276-L428 WeakPolarHBondContact CD1-O 3.42Å; M280-L428 HydrophobicContact CG-CD2 3.46Å; M280-L428 VanDerWaalsContact CG-CD2 3.46Å; L283-L428 HydrophobicContact CD1-CD1 4.13Å; L283-L428 HydrophobicContact CD1-CD2 3.87Å; L283-L428 HydrophobicContact CD1-CG 3.84Å; M400-L428 HydrophobicContact CB-CD1 4.36Å; L401-L428 HydrophobicContact CD1-CB 4.2Å; A404-L428 HydrophobicContact CB-CB 4.33Å; A404-L428 HydrophobicContact CB-CD1 3.78Å; E424-L428 HydrophobicContact CB-CD1 4.33Å; E424-L428 WeakPolarHBondContact O-CB 3.48Å; E424-L428 WeakPolarHBondContact O-CG 3.38Å; E424-L428 PolarHBondContact O-N 2.79Å; I425-L428 PolarHBondContact O-N 3.37Å
429	L	95.7	Very high	94.9	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.026	16%	0.164	C	C	.	.	S	Bend	trans	-107.5	110.1	-176.1	-47.9	-168.2	0	0	0	110.3	L401 A404 I405 Y408 I425 F433 K434 I437 W456	L401-L429 HydrophobicContact CD1-CD2 3.86Å; A404-L429 HydrophobicContact CB-CD2 4.41Å; I405-L429 HydrophobicContact CG1-CD1 4.49Å; I405-L429 HydrophobicContact CG1-CD2 3.99Å; Y408-L429 HydrophobicContact CD1-CD1 3.99Å; Y408-L429 HydrophobicContact CG-CD1 3.96Å; I425-L429 HydrophobicContact CG2-CB 4.49Å; I425-L429 HydrophobicContact CG2-CD1 3.96Å; I425-L429 HydrophobicContact CG2-CG 4.21Å; I425-L429 WeakPolarHBondContact O-CB 3.45Å; I425-L429 PolarHBondContact O-N 3.49Å; L429-F433 HydrophobicContact CB-CD1 4.38Å; L429-F433 HydrophobicContact CD2-CD1 3.88Å; L429-F433 HydrophobicContact CD2-CE1 3.82Å; L429-K434 HydrophobicContact CB-CG 3.91Å; L429-K434 WeakPolarHBondContact O-CE 3.22Å; L429-I437 HydrophobicContact CD1-CD1 4.01Å; L429-W456 HydrophobicContact CD2-CZ2 4.48Å
430	D	93.3	Very high	95.2	Very high	63 Å²	63	27.4 Å²	27.4	34%	0.337	14%	0.138	S	C	.	.			trans	-69.2	170	174.6	69.2	38.8	0	0	0	112.4	S432 F433 K434	D430-S432 PolarHBondContact O-N 3.03Å; D430-S432 PolarHBondContact OD1-N 3.28Å; D430-S432 VanDerWaalsContact OD1-N 3.14Å; D430-S432 PolarHBondContact OD1-OG 3.11Å; D430-F433 PolarHBondContact O-N 3.29Å; D430-F433 VanDerWaalsContact OD1-CB 3.26Å; D430-F433 WeakPolarHBondContact OD1-CB 3.44Å; D430-F433 PolarHBondContact OD1-N 2.99Å; D430-K434 WeakPolarHBondContact O-CB 3.38Å; D430-K434 WeakPolarHBondContact O-CG 3.39Å; D430-K434 PolarHBondContact O-N 3.44Å
431	R	93.1	Very high	95.3	Very high	169 Å²	169	27.4 Å²	27.4	64%	0.638	14%	0.139	S	C	*	.	H	α-helix	trans	-63.8	-41.6	-176.7	-176.3	174.9	178.8	164.7	2.3	113	F433 K434 V435	R431-F433 VanDerWaalsContact C-N 3.3Å; R431-F433 PolarHBondContact O-N 3.32Å; R431-K434 PolarHBondContact O-N 3.5Å; R431-V435 VanDerWaalsContact O-CG2 3.3Å; R431-V435 WeakPolarHBondContact O-CG2 3.29Å; R431-V435 PolarHBondContact O-N 2.77Å
432	S	93.2	Very high	95.3	Very high	45 Å²	45	26.2 Å²	26.2	32%	0.315	13%	0.132	S	C	.	.	H	α-helix	trans	-67.2	-37.4	-177.4	49.4	0	0	0	0	110.7	D430 V435 Y436	D430-S432 PolarHBondContact O-N 3.03Å; D430-S432 PolarHBondContact OD1-N 3.28Å; D430-S432 VanDerWaalsContact OD1-N 3.14Å; D430-S432 PolarHBondContact OD1-OG 3.11Å; S432-V435 PolarHBondContact O-N 3.31Å; S432-Y436 PolarHBondContact O-N 3.2Å
433	F	95.7	Very high	95.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-71	-41.8	175.1	-171.1	-140.3	0	0	0	112.4	I405 L429 D430 R431 V435 Y436 I437 F455 W456 V467	I405-F433 HydrophobicContact CD1-CE1 3.93Å; I405-F433 HydrophobicContact CD1-CZ 3.89Å; I405-F433 HydrophobicContact CG1-CE1 3.81Å; I405-F433 HydrophobicContact CG1-CZ 4.08Å; L429-F433 HydrophobicContact CB-CD1 4.38Å; L429-F433 HydrophobicContact CD2-CD1 3.88Å; L429-F433 HydrophobicContact CD2-CE1 3.82Å; D430-F433 PolarHBondContact O-N 3.29Å; D430-F433 VanDerWaalsContact OD1-CB 3.26Å; D430-F433 WeakPolarHBondContact OD1-CB 3.44Å; D430-F433 PolarHBondContact OD1-N 2.99Å; R431-F433 VanDerWaalsContact C-N 3.3Å; R431-F433 PolarHBondContact O-N 3.32Å; F433-V435 VanDerWaalsContact C-N 3.27Å; F433-V435 PolarHBondContact O-N 3.43Å; F433-Y436 HydrophobicContact CD2-CD1 4.21Å; F433-Y436 HydrophobicContact CE2-CD1 4.11Å; F433-Y436 WeakPolarHBondContact O-CB 3.4Å; F433-Y436 PolarHBondContact O-N 2.97Å; F433-Y436 VanDerWaalsContact O-N 3.13Å; F433-I437 HydrophobicContact CD1-CD1 3.86Å; F433-I437 HydrophobicContact CD2-CD1 4.16Å; F433-I437 HydrophobicContact CD2-CG1 4.03Å; F433-I437 HydrophobicContact CE1-CD1 3.57Å; F433-I437 HydrophobicContact CE1-CG1 4.32Å; F433-I437 HydrophobicContact CE2-CD1 3.89Å; F433-I437 HydrophobicContact CE2-CG1 3.7Å; F433-I437 HydrophobicContact CG-CD1 4.15Å; F433-I437 HydrophobicContact CG-CG1 4.47Å; F433-I437 HydrophobicContact CZ-CD1 3.59Å; F433-I437 HydrophobicContact CZ-CG1 3.87Å; F433-I437 WeakPolarHBondContact O-CG1 3.43Å; F433-I437 PolarHBondContact O-N 3.46Å; F433-F455 HydrophobicContact CB-CB 3.93Å; F433-F455 HydrophobicContact CD2-CB 3.88Å; F433-F455 HydrophobicContact CD2-CD1 4.3Å; F433-F455 AromaticContact CD2-CD2 3.36Å; F433-F455 HydrophobicContact CD2-CD2 3.36Å; F433-F455 AromaticContact CD2-CE2 3.93Å; F433-F455 HydrophobicContact CD2-CE2 3.93Å; F433-F455 AromaticContact CD2-CG 3.6Å; F433-F455 HydrophobicContact CD2-CG 3.6Å; F433-F455 AromaticContact CE2-CD2 3.63Å; F433-F455 HydrophobicContact CE2-CD2 3.63Å; F433-F455 AromaticContact CE2-CE2 3.69Å; F433-F455 HydrophobicContact CE2-CE2 3.69Å; F433-F455 HydrophobicContact CE2-CG 4.22Å; F433-F455 HydrophobicContact CE2-CZ 4.31Å; F433-F455 HydrophobicContact CG-CB 4.27Å; F433-F455 HydrophobicContact CG-CD2 4.2Å; F433-F455 HydrophobicContact CG-CG 4.42Å; F433-W456 HydrophobicContact CD1-CD2 4.47Å; F433-W456 AromaticContact CD1-CE2 3.8Å; F433-W456 AromaticContact CD1-CH2 3.68Å; F433-W456 HydrophobicContact CD1-CH2 3.68Å; F433-W456 AromaticContact CD1-CZ2 3.35Å; F433-W456 HydrophobicContact CD1-CZ2 3.35Å; F433-W456 HydrophobicContact CD1-CZ3 4.34Å; F433-W456 HydrophobicContact CE1-CD2 4.5Å; F433-W456 HydrophobicContact CE1-CE3 4.29Å; F433-W456 AromaticContact CE1-CH2 3.03Å; F433-W456 HydrophobicContact CE1-CH2 3.03Å; F433-W456 AromaticContact CE1-CZ2 3.25Å; F433-W456 HydrophobicContact CE1-CZ2 3.25Å; F433-W456 AromaticContact CE1-CZ3 3.6Å; F433-W456 HydrophobicContact CE1-CZ3 3.6Å; F433-W456 HydrophobicContact CE2-CE3 4.47Å; F433-W456 HydrophobicContact CE2-CH2 4.49Å; F433-W456 HydrophobicContact CE2-CZ3 4.29Å; F433-W456 HydrophobicContact CG-CZ2 4.24Å; F433-W456 HydrophobicContact CZ-CE3 4.18Å; F433-W456 AromaticContact CZ-CH2 3.53Å; F433-W456 HydrophobicContact CZ-CH2 3.53Å; F433-W456 HydrophobicContact CZ-CZ2 4.08Å; F433-W456 AromaticContact CZ-CZ3 3.57Å; F433-W456 HydrophobicContact CZ-CZ3 3.57Å; F433-V467 HydrophobicContact CE2-CG1 3.76Å; F433-V467 HydrophobicContact CZ-CG1 3.62Å
434	K	96.4	Very high	95.4	Very high	10 Å²	10	26.4 Å²	26.4	4%	0.043	13%	0.129	C	C	.	.	H	α-helix	trans	-56.9	-41	171.6	-77.3	-171.3	179	-160.8	0	112.1	E304 V311 Y408 N426 L429 D430 R431 K438	E304-K434 IonicContact OE1-NZ 3.23Å; E304-K434 PolarHBondContact OE1-NZ 3.19Å; E304-K434 IonicContact OE2-NZ 3.37Å; E304-K434 PolarHBondContact OE2-NZ 2.83Å; V311-K434 HydrophobicContact CG1-CB 4Å; V311-K434 HydrophobicContact CG2-CB 4.33Å; V311-K434 HydrophobicContact CG2-CD 4.49Å; Y408-K434 HydrophobicContact CE1-CB 4.16Å; Y408-K434 HydrophobicContact CE1-CG 4.01Å; Y408-K434 HydrophobicContact CE2-CD 4.12Å; Y408-K434 HydrophobicContact CE2-CG 4.25Å; N426-K434 PolarHBondContact OD1-NZ 3.45Å; L429-K434 HydrophobicContact CB-CG 3.91Å; L429-K434 WeakPolarHBondContact O-CE 3.22Å; D430-K434 WeakPolarHBondContact O-CB 3.38Å; D430-K434 WeakPolarHBondContact O-CG 3.39Å; D430-K434 PolarHBondContact O-N 3.44Å; R431-K434 PolarHBondContact O-N 3.5Å; K434-K438 WeakPolarHBondContact O-CB 3.47Å; K434-K438 PolarHBondContact O-N 3.27Å
435	V	95.7	Very high	95.4	Very high	18 Å²	18	27.6 Å²	27.6	11%	0.109	14%	0.135	C	C	.	.	H	α-helix	trans	-62.2	-49.2	173.7	169.5	0	0	0	0	110.5	V311 R431 S432 F433 I437 K438 T439 M451	V311-V435 HydrophobicContact CG1-CB 4.19Å; V311-V435 HydrophobicContact CG1-CG2 3.54Å; R431-V435 VanDerWaalsContact O-CG2 3.3Å; R431-V435 WeakPolarHBondContact O-CG2 3.29Å; R431-V435 PolarHBondContact O-N 2.77Å; S432-V435 PolarHBondContact O-N 3.31Å; F433-V435 VanDerWaalsContact C-N 3.27Å; F433-V435 PolarHBondContact O-N 3.43Å; V435-I437 PolarHBondContact O-N 3.17Å; V435-K438 PolarHBondContact O-N 2.88Å; V435-T439 WeakPolarHBondContact O-CB 3.39Å; V435-T439 PolarHBondContact O-N 3.27Å; V435-T439 PolarHBondContact O-OG1 3.46Å; V435-M451 HydrophobicContact CG1-CE 3.57Å
436	Y	97.2	Very high	95.2	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-57.3	-51.1	177.8	176.8	-96.6	0	0	0	112.1	G218 S432 F433 K438 T439 V440 V447 M451 Y452 F455 N468 L471	G218-Y436 PolarHBondContact O-OH 2.58Å; S432-Y436 PolarHBondContact O-N 3.2Å; F433-Y436 HydrophobicContact CD2-CD1 4.21Å; F433-Y436 HydrophobicContact CE2-CD1 4.11Å; F433-Y436 WeakPolarHBondContact O-CB 3.4Å; F433-Y436 PolarHBondContact O-N 2.97Å; F433-Y436 VanDerWaalsContact O-N 3.13Å; Y436-K438 PolarHBondContact O-N 3.07Å; Y436-T439 PolarHBondContact O-N 3.41Å; Y436-V440 HydrophobicContact CD1-CG2 4.18Å; Y436-V440 HydrophobicContact CD2-CG2 4.2Å; Y436-V440 HydrophobicContact CE1-CG2 3.7Å; Y436-V440 HydrophobicContact CE2-CG2 3.75Å; Y436-V440 HydrophobicContact CG-CG2 4.4Å; Y436-V440 VanDerWaalsContact CZ-CG2 3.46Å; Y436-V440 WeakPolarHBondContact O-CG2 3.44Å; Y436-V440 PolarHBondContact O-N 2.85Å; Y436-V447 HydrophobicContact CE2-CG1 4.26Å; Y436-M451 HydrophobicContact CD2-CB 3.97Å; Y436-Y452 HydrophobicContact CE2-CD2 4.39Å; Y436-F455 AromaticContact CD1-CD1 3.77Å; Y436-F455 HydrophobicContact CD1-CD1 3.77Å; Y436-F455 AromaticContact CD1-CE1 3.43Å; Y436-F455 HydrophobicContact CD1-CE1 3.43Å; Y436-F455 VanDerWaalsContact CD1-CE1 3.43Å; Y436-F455 AromaticContact CD1-CZ 3.94Å; Y436-F455 HydrophobicContact CD1-CZ 3.94Å; Y436-F455 AromaticContact CD2-CD1 3.85Å; Y436-F455 HydrophobicContact CD2-CD1 3.85Å; Y436-F455 AromaticContact CD2-CE1 3.71Å; Y436-F455 HydrophobicContact CD2-CE1 3.71Å; Y436-F455 HydrophobicContact CE1-CD1 4.25Å; Y436-F455 AromaticContact CE1-CE1 3.44Å; Y436-F455 HydrophobicContact CE1-CE1 3.44Å; Y436-F455 VanDerWaalsContact CE1-CE1 3.44Å; Y436-F455 AromaticContact CE1-CZ 3.73Å; Y436-F455 HydrophobicContact CE1-CZ 3.73Å; Y436-F455 HydrophobicContact CE2-CD1 4.31Å; Y436-F455 AromaticContact CE2-CE1 3.7Å; Y436-F455 HydrophobicContact CE2-CE1 3.7Å; Y436-F455 AromaticContact CG-CD1 3.56Å; Y436-F455 HydrophobicContact CG-CD1 3.56Å; Y436-F455 AromaticContact CG-CE1 3.58Å; Y436-F455 HydrophobicContact CG-CE1 3.58Å; Y436-F455 HydrophobicContact CG-CG 4.48Å; Y436-F455 AromaticContact CZ-CE1 3.57Å; Y436-N468 PolarHBondContact OH-ND2 3.42Å; Y436-N468 PolarHBondContact OH-OD1 2.83Å; Y436-L471 HydrophobicContact CD1-CD1 4.41Å; Y436-L471 HydrophobicContact CE1-CD1 3.96Å
437	I	98	Very high	95.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-56.7	-51.7	179.3	-67	166.5	0	0	0	110.4	I405 Y408 I409 M412 L429 F433 V435 T439 V440 V441 L471	I405-I437 HydrophobicContact CG1-CD1 4.49Å; I405-I437 HydrophobicContact CG2-CD1 4.31Å; Y408-I437 HydrophobicContact CD1-CB 4.29Å; Y408-I437 HydrophobicContact CD1-CD1 3.96Å; Y408-I437 HydrophobicContact CD1-CG2 3.86Å; Y408-I437 HydrophobicContact CE1-CB 4.06Å; Y408-I437 HydrophobicContact CE1-CD1 4.31Å; Y408-I437 HydrophobicContact CE1-CG2 3.93Å; I409-I437 HydrophobicContact CD1-CG2 4.22Å; I409-I437 HydrophobicContact CG1-CG2 3.69Å; M412-I437 HydrophobicContact CE-CG2 3.85Å; L429-I437 HydrophobicContact CD1-CD1 4.01Å; F433-I437 HydrophobicContact CD1-CD1 3.86Å; F433-I437 HydrophobicContact CD2-CD1 4.16Å; F433-I437 HydrophobicContact CD2-CG1 4.03Å; F433-I437 HydrophobicContact CE1-CD1 3.57Å; F433-I437 HydrophobicContact CE1-CG1 4.32Å; F433-I437 HydrophobicContact CE2-CD1 3.89Å; F433-I437 HydrophobicContact CE2-CG1 3.7Å; F433-I437 HydrophobicContact CG-CD1 4.15Å; F433-I437 HydrophobicContact CG-CG1 4.47Å; F433-I437 HydrophobicContact CZ-CD1 3.59Å; F433-I437 HydrophobicContact CZ-CG1 3.87Å; F433-I437 WeakPolarHBondContact O-CG1 3.43Å; F433-I437 PolarHBondContact O-N 3.46Å; V435-I437 PolarHBondContact O-N 3.17Å; I437-T439 VanDerWaalsContact C-N 3.3Å; I437-T439 PolarHBondContact O-N 2.8Å; I437-V440 PolarHBondContact O-N 3.29Å; I437-V441 HydrophobicContact CG2-CG1 4.43Å; I437-V441 HydrophobicContact CG2-CG2 4.49Å; I437-V441 VanDerWaalsContact O-CG2 3.22Å; I437-V441 WeakPolarHBondContact O-CG2 3.45Å; I437-V441 PolarHBondContact O-N 3.48Å; I437-L471 HydrophobicContact CB-CD2 4.45Å; I437-L471 HydrophobicContact CD1-CD2 4.46Å; I437-L471 HydrophobicContact CG1-CD1 4.33Å; I437-L471 HydrophobicContact CG1-CD2 3.85Å; I437-L471 HydrophobicContact CG2-CD2 4.03Å
438	K	96.6	Very high	95.5	Very high	22 Å²	22	25.7 Å²	25.7	10%	0.096	13%	0.128	C	C	.	.	H	α-helix	trans	-59.1	-43.3	-178.9	-173.1	174.2	-178.7	178.7	0	111.2	S308 V311 D338 M412 K434 V435 Y436 C442	S308-K438 PolarHBondContact O-NZ 2.98Å; V311-K438 HydrophobicContact CB-CD 4.22Å; V311-K438 HydrophobicContact CG1-CD 4.32Å; V311-K438 WeakPolarHBondContact O-CD 3.12Å; V311-K438 PolarHBondContact O-NZ 2.86Å; D338-K438 VanDerWaalsContact OD1-CE 3.22Å; D338-K438 WeakPolarHBondContact OD1-CE 3.36Å; D338-K438 IonicContact OD1-NZ 2.8Å; D338-K438 PolarHBondContact OD1-NZ 3.06Å; D338-K438 IonicContact OD2-NZ 2.77Å; D338-K438 PolarHBondContact OD2-NZ 3.12Å; M412-K438 HydrophobicContact SD-CB 3.81Å; M412-K438 HydrophobicContact SD-CD 4.24Å; M412-K438 HydrophobicContact SD-CG 3.77Å; K434-K438 WeakPolarHBondContact O-CB 3.47Å; K434-K438 PolarHBondContact O-N 3.27Å; V435-K438 PolarHBondContact O-N 2.88Å; Y436-K438 PolarHBondContact O-N 3.07Å; K438-C442 WeakPolarHBondContact O-CB 3.29Å; K438-C442 PolarHBondContact O-N 3.41Å; K438-C442 PolarHBondContact O-SG 2.95Å
439	T	96.2	Very high	95.4	Very high	13 Å²	13	28.5 Å²	28.5	8%	0.08	14%	0.14	C	C	.	.	H	α-helix	trans	-64.7	-46.5	177.6	-58	0	0	0	0	111.7	V435 Y436 I437 V441 T443 P444 K446 V447 M451	V435-T439 WeakPolarHBondContact O-CB 3.39Å; V435-T439 PolarHBondContact O-N 3.27Å; V435-T439 PolarHBondContact O-OG1 3.46Å; Y436-T439 PolarHBondContact O-N 3.41Å; I437-T439 VanDerWaalsContact C-N 3.3Å; I437-T439 PolarHBondContact O-N 2.8Å; T439-V441 PolarHBondContact O-N 3.07Å; T439-T443 CarbonylContact O-C 3.55Å; T439-T443 WeakPolarHBondContact O-CA 3.36Å; T439-T443 PolarHBondContact O-N 3.24Å; T439-T443 VanDerWaalsContact O-O 3.05Å; T439-P444 WeakPolarHBondContact O-CA 3.46Å; T439-K446 HydrophobicContact CG2-CB 3.89Å; T439-V447 HydrophobicContact CG2-CG2 3.81Å; T439-M451 HydrophobicContact CG2-CE 3.8Å; T439-M451 HydrophobicContact CG2-SD 4.11Å; T439-M451 WeakPolarHBondContact OG1-CE 3.49Å
440	V	97.7	Very high	95.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-42.9	178.7	172.7	0	0	0	0	112.1	S214 Y436 I437 P444 V447 L471	S214-V440 WeakPolarHBondContact CB-O 3.34Å; S214-V440 PolarHBondContact OG-O 3.22Å; Y436-V440 HydrophobicContact CD1-CG2 4.18Å; Y436-V440 HydrophobicContact CD2-CG2 4.2Å; Y436-V440 HydrophobicContact CE1-CG2 3.7Å; Y436-V440 HydrophobicContact CE2-CG2 3.75Å; Y436-V440 HydrophobicContact CG-CG2 4.4Å; Y436-V440 VanDerWaalsContact CZ-CG2 3.46Å; Y436-V440 WeakPolarHBondContact O-CG2 3.44Å; Y436-V440 PolarHBondContact O-N 2.85Å; I437-V440 PolarHBondContact O-N 3.29Å; V440-P444 WeakPolarHBondContact O-CB 3.38Å; V440-V447 HydrophobicContact CB-CG2 4.31Å; V440-V447 HydrophobicContact CG2-CG1 4.48Å; V440-V447 HydrophobicContact CG2-CG2 3.61Å; V440-L471 HydrophobicContact CB-CD1 3.95Å; V440-L471 HydrophobicContact CG1-CD1 3.8Å; V440-L471 HydrophobicContact CG2-CD1 4.33Å
441	V	97.9	Very high	95.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-87	-27.1	-173.6	-56.5	0	0	0	0	113.9	I409 M412 F413 I437 T439 L471 R475	I409-V441 HydrophobicContact CD1-CG1 4.16Å; I409-V441 HydrophobicContact CG1-CG1 4.27Å; I409-V441 HydrophobicContact CG2-CG1 4.49Å; M412-V441 HydrophobicContact CE-CG2 3.51Å; F413-V441 HydrophobicContact CE2-CG2 4.34Å; I437-V441 HydrophobicContact CG2-CG1 4.43Å; I437-V441 HydrophobicContact CG2-CG2 4.49Å; I437-V441 VanDerWaalsContact O-CG2 3.22Å; I437-V441 WeakPolarHBondContact O-CG2 3.45Å; I437-V441 PolarHBondContact O-N 3.48Å; T439-V441 PolarHBondContact O-N 3.07Å; V441-L471 HydrophobicContact CG1-CB 4.02Å; V441-R475 VanDerWaalsContact O-CZ 3.27Å; V441-R475 PolarHBondContact O-NE 3.33Å; V441-R475 PolarHBondContact O-NH1 3.38Å
442	C	95.5	Very high	95.6	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.027	13%	0.128	C	C	.	.	H	α-helix	trans	-105.7	-37.1	-173.8	-58.5	0	0	0	0	113.7	Y336 K438	Y336-C442 WeakPolarHBondContact CB-O 3.26Å; Y336-C442 HydrophobicContact CD1-CB 3.68Å; Y336-C442 HydrophobicContact CD2-CB 3.61Å; Y336-C442 HydrophobicContact CE1-CB 3.89Å; Y336-C442 HydrophobicContact CE2-CB 3.81Å; Y336-C442 WeakPolarHBondContact CE2-SG 3.32Å; Y336-C442 HydrophobicContact CG-CB 3.55Å; K438-C442 WeakPolarHBondContact O-CB 3.29Å; K438-C442 PolarHBondContact O-N 3.41Å; K438-C442 PolarHBondContact O-SG 2.95Å
443	T	94.9	Very high	95.6	Very high	25 Å²	25	28.9 Å²	28.9	15%	0.153	13%	0.134	C	C	.	.			trans	-142.3	58.8	-175.7	58.6	0	0	0	0	110.6	T439 E445 K446	T439-T443 CarbonylContact O-C 3.55Å; T439-T443 WeakPolarHBondContact O-CA 3.36Å; T439-T443 PolarHBondContact O-N 3.24Å; T439-T443 VanDerWaalsContact O-O 3.05Å; T443-E445 VanDerWaalsContact C-OE2 3.27Å; T443-E445 PolarHBondContact O-N 3.22Å; T443-E445 VanDerWaalsContact O-N 3.1Å; T443-K446 WeakPolarHBondContact O-CB 3.17Å; T443-K446 PolarHBondContact O-N 3.4Å
444	P	96.4	Very high	95.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-58.1	-28.5	-169.7	22.1	-34.6	0	0	0	113.7	H128 F217 T439 V440 K446 V447	H128-P444 HydrophobicContact CB-CG 3.91Å; H128-P444 WeakPolarHBondContact ND1-CD 3.34Å; H128-P444 WeakPolarHBondContact ND1-CG 3Å; F217-P444 HydrophobicContact CB-CB 3.95Å; F217-P444 WeakPolarHBondContact CB-O 3.45Å; F217-P444 HydrophobicContact CD2-CB 3.72Å; F217-P444 HydrophobicContact CD2-CG 4.28Å; F217-P444 HydrophobicContact CG-CB 4.13Å; F217-P444 WeakPolarHBondContact CG-O 3.34Å; T439-P444 WeakPolarHBondContact O-CA 3.46Å; V440-P444 WeakPolarHBondContact O-CB 3.38Å; P444-K446 PolarHBondContact O-N 2.83Å; P444-K446 VanDerWaalsContact O-N 3.08Å; P444-V447 WeakPolarHBondContact O-CB 3.33Å; P444-V447 WeakPolarHBondContact O-CG2 3.36Å; P444-V447 PolarHBondContact O-N 2.98Å
445	E	93	Very high	95	Very high	33 Å²	33	30.2 Å²	30.2	15%	0.154	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-59.9	-18.7	176	67.9	-73.3	170.5	0	0	114.4	H128 F217 T443	H128-E445 IonicContact ND1-OE2 2.81Å; F217-E445 HydrophobicContact CE1-CB 4.37Å; F217-E445 HydrophobicContact CE2-CB 4.33Å; F217-E445 HydrophobicContact CZ-CB 4Å; T443-E445 VanDerWaalsContact C-OE2 3.27Å; T443-E445 PolarHBondContact O-N 3.22Å; T443-E445 VanDerWaalsContact O-N 3.1Å
446	K	93.3	Very high	94.6	Very high	58 Å²	58	30.2 Å²	30.2	25%	0.252	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-90.6	-3	176	-58.5	-169.4	-178.7	-166.9	0	113.8	D316 T439 T443 P444 T448	D316-K446 PolarHBondContact O-NZ 3.21Å; D316-K446 IonicContact OD1-NZ 2.62Å; D316-K446 PolarHBondContact OD1-NZ 2.92Å; T439-K446 HydrophobicContact CG2-CB 3.89Å; T443-K446 WeakPolarHBondContact O-CB 3.17Å; T443-K446 PolarHBondContact O-N 3.4Å; P444-K446 PolarHBondContact O-N 2.83Å; P444-K446 VanDerWaalsContact O-N 3.08Å; K446-T448 PolarHBondContact O-N 3.25Å
447	V	95.3	Very high	94.2	Very high	16 Å²	16	38.2 Å²	38.2	10%	0.097	17%	0.173	C	C	.	.			trans	-64.9	132.3	179.8	176.1	0	0	0	0	110.1	F51 F217 Y436 T439 V440 P444	F51-V447 HydrophobicContact CE2-CG1 4.17Å; F51-V447 HydrophobicContact CZ-CG1 4.39Å; F217-V447 HydrophobicContact CB-CB 4.24Å; F217-V447 HydrophobicContact CB-CG2 4.37Å; Y436-V447 HydrophobicContact CE2-CG1 4.26Å; T439-V447 HydrophobicContact CG2-CG2 3.81Å; V440-V447 HydrophobicContact CB-CG2 4.31Å; V440-V447 HydrophobicContact CG2-CG1 4.48Å; V440-V447 HydrophobicContact CG2-CG2 3.61Å; P444-V447 WeakPolarHBondContact O-CB 3.33Å; P444-V447 WeakPolarHBondContact O-CG2 3.36Å; P444-V447 PolarHBondContact O-N 2.98Å
448	T	94.3	Very high	93.8	Very high	53 Å²	53	41.2 Å²	41.2	33%	0.325	19%	0.187	S	C	.	.			trans	-121.2	159.1	176.3	68.2	0	0	0	0	111.6	K446 R450 M451 Y452	K446-T448 PolarHBondContact O-N 3.25Å; T448-R450 PolarHBondContact O-N 3.31Å; T448-M451 WeakPolarHBondContact O-CB 3.47Å; T448-M451 PolarHBondContact O-N 2.93Å; T448-M451 WeakPolarHBondContact OG1-CG 3.43Å; T448-M451 PolarHBondContact OG1-N 2.66Å; T448-Y452 PolarHBondContact O-N 3.4Å; T448-Y452 VanDerWaalsContact O-N 3.14Å
449	K	94.6	Very high	93.6	Very high	62 Å²	62	41 Å²	41	27%	0.27	19%	0.186	S	C	.	.	H	α-helix	trans	-56.2	-38.4	173.3	-174	169.1	177.3	167.2	0	111.9	R50 F51 M451 Y452 E453	R50-K449 PolarHBondContact O-NZ 3.1Å; F51-K449 HydrophobicContact CD1-CB 3.69Å; F51-K449 HydrophobicContact CD1-CD 4.18Å; F51-K449 HydrophobicContact CD1-CG 3.81Å; F51-K449 HydrophobicContact CE1-CB 3.61Å; F51-K449 HydrophobicContact CE1-CG 4.28Å; F51-K449 HydrophobicContact CZ-CB 4.47Å; K449-M451 VanDerWaalsContact C-N 3.31Å; K449-M451 PolarHBondContact O-N 2.98Å; K449-Y452 WeakPolarHBondContact O-CB 3.14Å; K449-Y452 PolarHBondContact O-N 3.38Å; K449-E453 WeakPolarHBondContact CE-OE1 3.42Å; K449-E453 HydrophobicContact CG-CG 4.29Å; K449-E453 WeakPolarHBondContact CG-OE1 3.46Å; K449-E453 WeakPolarHBondContact O-CB 3.38Å; K449-E453 WeakPolarHBondContact O-CG 3.43Å; K449-E453 PolarHBondContact O-N 3.15Å
450	R	94.5	Very high	93.5	Very high	178 Å²	178	45.9 Å²	45.9	67%	0.672	21%	0.206	S	C	*	.	H	α-helix	trans	-58.8	-41.3	175.6	-175.9	-176.5	179.9	-165.1	0.9	112.1	T448 E453 S454	T448-R450 PolarHBondContact O-N 3.31Å; R450-E453 PolarHBondContact O-N 2.89Å; R450-S454 WeakPolarHBondContact O-CB 3.47Å; R450-S454 PolarHBondContact O-N 3.27Å; R450-S454 PolarHBondContact O-OG 2.85Å
451	M	95.1	Very high	93.4	Very high	15 Å²	15	48 Å²	48	7%	0.074	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-47.5	177	-63.8	169.2	99.3	0	0	110.1	V435 Y436 T439 T448 K449 E453 S454 F455	V435-M451 HydrophobicContact CG1-CE 3.57Å; Y436-M451 HydrophobicContact CD2-CB 3.97Å; T439-M451 HydrophobicContact CG2-CE 3.8Å; T439-M451 HydrophobicContact CG2-SD 4.11Å; T439-M451 WeakPolarHBondContact OG1-CE 3.49Å; T448-M451 WeakPolarHBondContact O-CB 3.47Å; T448-M451 PolarHBondContact O-N 2.93Å; T448-M451 WeakPolarHBondContact OG1-CG 3.43Å; T448-M451 PolarHBondContact OG1-N 2.66Å; K449-M451 VanDerWaalsContact C-N 3.31Å; K449-M451 PolarHBondContact O-N 2.98Å; M451-E453 VanDerWaalsContact C-N 3.29Å; M451-E453 PolarHBondContact O-N 3.23Å; M451-S454 PolarHBondContact O-N 3.49Å; M451-S454 VanDerWaalsContact O-N 3.11Å; M451-S454 PolarHBondContact O-OG 3.48Å; M451-F455 WeakPolarHBondContact O-CD1 3.5Å
452	Y	95.5	Very high	93.3	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-56.7	-39.2	176.6	177.7	-93.3	0	0	0	113	F51 G218 Y436 T448 K449 F455 H461 K464	F51-Y452 HydrophobicContact CB-CD1 3.83Å; F51-Y452 HydrophobicContact CB-CE1 3.84Å; F51-Y452 HydrophobicContact CB-CG 4.24Å; F51-Y452 HydrophobicContact CD2-CD1 4.17Å; F51-Y452 AromaticContact CD2-CD2 3.87Å; F51-Y452 HydrophobicContact CD2-CD2 3.87Å; F51-Y452 HydrophobicContact CD2-CE2 4.45Å; F51-Y452 AromaticContact CD2-CG 3.71Å; F51-Y452 HydrophobicContact CD2-CG 3.71Å; F51-Y452 HydrophobicContact CE2-CG 4.41Å; F51-Y452 HydrophobicContact CG-CD1 4.21Å; F51-Y452 HydrophobicContact CG-CG 4.21Å; G218-Y452 WeakPolarHBondContact O-CD2 3.41Å; Y436-Y452 HydrophobicContact CE2-CD2 4.39Å; T448-Y452 PolarHBondContact O-N 3.4Å; T448-Y452 VanDerWaalsContact O-N 3.14Å; K449-Y452 WeakPolarHBondContact O-CB 3.14Å; K449-Y452 PolarHBondContact O-N 3.38Å; Y452-F455 HydrophobicContact CD2-CE1 4.43Å; Y452-F455 WeakPolarHBondContact O-CD1 3.41Å; Y452-F455 WeakPolarHBondContact O-CE1 3.29Å; Y452-H461 AromaticContact CE1-CE1 3.82Å; Y452-H461 AromaticContact CE1-ND1 3.63Å; Y452-H461 AromaticContact CZ-ND1 3.75Å; Y452-H461 PolarHBondContact OH-ND1 3.44Å; Y452-K464 HydrophobicContact CD1-CD 4.46Å; Y452-K464 HydrophobicContact CD2-CD 4.49Å; Y452-K464 HydrophobicContact CE1-CD 3.94Å; Y452-K464 HydrophobicContact CE2-CB 3.73Å; Y452-K464 HydrophobicContact CE2-CD 3.95Å; Y452-K464 HydrophobicContact CE2-CG 4.45Å; Y452-K464 PolarHBondContact O-NZ 3.42Å
453	E	93.9	Very high	93.3	Very high	96 Å²	96	50 Å²	50	45%	0.449	23%	0.229	S	C	.	.	H	α-helix	trans	-79.4	-23.9	178.5	-71.5	172.3	170.7	0	0	113.3	K449 R450 M451	K449-E453 WeakPolarHBondContact CE-OE1 3.42Å; K449-E453 HydrophobicContact CG-CG 4.29Å; K449-E453 WeakPolarHBondContact CG-OE1 3.46Å; K449-E453 WeakPolarHBondContact O-CB 3.38Å; K449-E453 WeakPolarHBondContact O-CG 3.43Å; K449-E453 PolarHBondContact O-N 3.15Å; R450-E453 PolarHBondContact O-N 2.89Å; M451-E453 VanDerWaalsContact C-N 3.29Å; M451-E453 PolarHBondContact O-N 3.23Å
454	S	91.1	Very high	93.4	Very high	39 Å²	39	49.2 Å²	49.2	27%	0.273	22%	0.223	S	C	.	.	H	α-helix	trans	-79.3	-29.4	-171.2	66.7	0	0	0	0	114.6	R450 M451	R450-S454 WeakPolarHBondContact O-CB 3.47Å; R450-S454 PolarHBondContact O-N 3.27Å; R450-S454 PolarHBondContact O-OG 2.85Å; M451-S454 PolarHBondContact O-N 3.49Å; M451-S454 VanDerWaalsContact O-N 3.11Å; M451-S454 PolarHBondContact O-OG 3.48Å
455	F	89.3	Confident	93.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-88.1	143.2	175	81.5	-89.9	0	0	0	111	F433 Y436 M451 Y452 R457 K464	F433-F455 HydrophobicContact CB-CB 3.93Å; F433-F455 HydrophobicContact CD2-CB 3.88Å; F433-F455 HydrophobicContact CD2-CD1 4.3Å; F433-F455 AromaticContact CD2-CD2 3.36Å; F433-F455 HydrophobicContact CD2-CD2 3.36Å; F433-F455 AromaticContact CD2-CE2 3.93Å; F433-F455 HydrophobicContact CD2-CE2 3.93Å; F433-F455 AromaticContact CD2-CG 3.6Å; F433-F455 HydrophobicContact CD2-CG 3.6Å; F433-F455 AromaticContact CE2-CD2 3.63Å; F433-F455 HydrophobicContact CE2-CD2 3.63Å; F433-F455 AromaticContact CE2-CE2 3.69Å; F433-F455 HydrophobicContact CE2-CE2 3.69Å; F433-F455 HydrophobicContact CE2-CG 4.22Å; F433-F455 HydrophobicContact CE2-CZ 4.31Å; F433-F455 HydrophobicContact CG-CB 4.27Å; F433-F455 HydrophobicContact CG-CD2 4.2Å; F433-F455 HydrophobicContact CG-CG 4.42Å; Y436-F455 AromaticContact CD1-CD1 3.77Å; Y436-F455 HydrophobicContact CD1-CD1 3.77Å; Y436-F455 AromaticContact CD1-CE1 3.43Å; Y436-F455 HydrophobicContact CD1-CE1 3.43Å; Y436-F455 VanDerWaalsContact CD1-CE1 3.43Å; Y436-F455 AromaticContact CD1-CZ 3.94Å; Y436-F455 HydrophobicContact CD1-CZ 3.94Å; Y436-F455 AromaticContact CD2-CD1 3.85Å; Y436-F455 HydrophobicContact CD2-CD1 3.85Å; Y436-F455 AromaticContact CD2-CE1 3.71Å; Y436-F455 HydrophobicContact CD2-CE1 3.71Å; Y436-F455 HydrophobicContact CE1-CD1 4.25Å; Y436-F455 AromaticContact CE1-CE1 3.44Å; Y436-F455 HydrophobicContact CE1-CE1 3.44Å; Y436-F455 VanDerWaalsContact CE1-CE1 3.44Å; Y436-F455 AromaticContact CE1-CZ 3.73Å; Y436-F455 HydrophobicContact CE1-CZ 3.73Å; Y436-F455 HydrophobicContact CE2-CD1 4.31Å; Y436-F455 AromaticContact CE2-CE1 3.7Å; Y436-F455 HydrophobicContact CE2-CE1 3.7Å; Y436-F455 AromaticContact CG-CD1 3.56Å; Y436-F455 HydrophobicContact CG-CD1 3.56Å; Y436-F455 AromaticContact CG-CE1 3.58Å; Y436-F455 HydrophobicContact CG-CE1 3.58Å; Y436-F455 HydrophobicContact CG-CG 4.48Å; Y436-F455 AromaticContact CZ-CE1 3.57Å; M451-F455 WeakPolarHBondContact O-CD1 3.5Å; Y452-F455 HydrophobicContact CD2-CE1 4.43Å; Y452-F455 WeakPolarHBondContact O-CD1 3.41Å; Y452-F455 WeakPolarHBondContact O-CE1 3.29Å; F455-R457 PolarHBondContact O-N 2.91Å; F455-K464 HydrophobicContact CE2-CD 4.36Å; F455-K464 HydrophobicContact CE2-CG 4.12Å; F455-K464 HydrophobicContact CZ-CB 4.34Å; F455-K464 HydrophobicContact CZ-CD 4.01Å; F455-K464 HydrophobicContact CZ-CG 3.98Å; F455-K464 WeakPolarHBondContact O-CE 3.48Å; F455-K464 PolarHBondContact O-NZ 3.48Å
456	W	86.9	Confident	93.7	Very high	17 Å²	17	48.7 Å²	48.7	6%	0.064	22%	0.221	C	C	.	.	S	Bend	trans	40.1	62.3	173.3	-63.4	-17.2	0	0	0	113.2	L276 L401 I405 L429 F433 Q458 F459 K464 V467	L276-W456 HydrophobicContact CD2-CZ2 4.39Å; L401-W456 HydrophobicContact CD1-CH2 3.72Å; L401-W456 HydrophobicContact CD1-CZ2 3.75Å; L401-W456 HydrophobicContact CD2-CH2 3.53Å; L401-W456 HydrophobicContact CD2-CZ2 3.97Å; L401-W456 HydrophobicContact CD2-CZ3 4.15Å; L401-W456 HydrophobicContact CG-CH2 3.75Å; L401-W456 HydrophobicContact CG-CZ2 4.24Å; I405-W456 HydrophobicContact CD1-CH2 4Å; I405-W456 HydrophobicContact CD1-CZ3 4.37Å; L429-W456 HydrophobicContact CD2-CZ2 4.48Å; F433-W456 HydrophobicContact CD1-CD2 4.47Å; F433-W456 AromaticContact CD1-CE2 3.8Å; F433-W456 AromaticContact CD1-CH2 3.68Å; F433-W456 HydrophobicContact CD1-CH2 3.68Å; F433-W456 AromaticContact CD1-CZ2 3.35Å; F433-W456 HydrophobicContact CD1-CZ2 3.35Å; F433-W456 HydrophobicContact CD1-CZ3 4.34Å; F433-W456 HydrophobicContact CE1-CD2 4.5Å; F433-W456 HydrophobicContact CE1-CE3 4.29Å; F433-W456 AromaticContact CE1-CH2 3.03Å; F433-W456 HydrophobicContact CE1-CH2 3.03Å; F433-W456 AromaticContact CE1-CZ2 3.25Å; F433-W456 HydrophobicContact CE1-CZ2 3.25Å; F433-W456 AromaticContact CE1-CZ3 3.6Å; F433-W456 HydrophobicContact CE1-CZ3 3.6Å; F433-W456 HydrophobicContact CE2-CE3 4.47Å; F433-W456 HydrophobicContact CE2-CH2 4.49Å; F433-W456 HydrophobicContact CE2-CZ3 4.29Å; F433-W456 HydrophobicContact CG-CZ2 4.24Å; F433-W456 HydrophobicContact CZ-CE3 4.18Å; F433-W456 AromaticContact CZ-CH2 3.53Å; F433-W456 HydrophobicContact CZ-CH2 3.53Å; F433-W456 HydrophobicContact CZ-CZ2 4.08Å; F433-W456 AromaticContact CZ-CZ3 3.57Å; F433-W456 HydrophobicContact CZ-CZ3 3.57Å; W456-Q458 PolarHBondContact O-N 3.14Å; W456-Q458 VanDerWaalsContact O-N 3.09Å; W456-F459 HydrophobicContact CB-CB 4.13Å; W456-F459 HydrophobicContact CB-CD1 4.16Å; W456-F459 HydrophobicContact CB-CD2 3.56Å; W456-F459 HydrophobicContact CB-CE1 4.47Å; W456-F459 HydrophobicContact CB-CE2 3.89Å; W456-F459 HydrophobicContact CB-CG 3.69Å; W456-F459 HydrophobicContact CB-CZ 4.33Å; W456-F459 HydrophobicContact CD2-CD1 4.26Å; W456-F459 AromaticContact CD2-CE1 3.87Å; W456-F459 HydrophobicContact CD2-CE1 3.87Å; W456-F459 HydrophobicContact CD2-CE2 4.23Å; W456-F459 AromaticContact CD2-CZ 3.83Å; W456-F459 HydrophobicContact CD2-CZ 3.83Å; W456-F459 AromaticContact CE3-CD1 3.63Å; W456-F459 HydrophobicContact CE3-CD1 3.63Å; W456-F459 AromaticContact CE3-CE1 3.31Å; W456-F459 HydrophobicContact CE3-CE1 3.31Å; W456-F459 HydrophobicContact CE3-CE2 4.47Å; W456-F459 HydrophobicContact CE3-CG 4.35Å; W456-F459 AromaticContact CE3-CZ 3.76Å; W456-F459 HydrophobicContact CE3-CZ 3.76Å; W456-F459 HydrophobicContact CG-CD2 4.18Å; W456-F459 HydrophobicContact CG-CE1 4.38Å; W456-F459 AromaticContact CG-CE2 4Å; W456-F459 HydrophobicContact CG-CE2 4Å; W456-F459 HydrophobicContact CG-CG 4.42Å; W456-F459 HydrophobicContact CG-CZ 4.1Å; W456-F459 HydrophobicContact CZ3-CD1 4.36Å; W456-F459 AromaticContact CZ3-CE1 3.75Å; W456-F459 HydrophobicContact CZ3-CE1 3.75Å; W456-F459 HydrophobicContact CZ3-CZ 4.3Å; W456-F459 WeakPolarHBondContact O-CB 3.38Å; W456-F459 PolarHBondContact O-N 2.97Å; W456-K464 WeakPolarHBondContact O-CE 3.3Å; W456-V467 HydrophobicContact CE3-CG2 4.25Å; W456-V467 HydrophobicContact CZ3-CG2 3.69Å
457	R	88.2	Confident	93.9	Very high	169 Å²	169	46.4 Å²	46.4	64%	0.638	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.4	-168.2	-59.8	-177.6	-177.8	-163.9	3.6	113.9	F455	F455-R457 PolarHBondContact O-N 2.91Å
458	Q	89.8	Confident	94	Very high	63 Å²	63	45.7 Å²	45.7	29%	0.294	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-9	179.4	-59.2	-54.7	-34.9	0	0	113.6	S269 V273 A391 W456	S269-Q458 PolarHBondContact OG-NE2 2.92Å; V273-Q458 HydrophobicContact CG2-CB 4.14Å; V273-Q458 HydrophobicContact CG2-CG 4.49Å; A391-Q458 HydrophobicContact CB-CB 3.99Å; A391-Q458 WeakPolarHBondContact CB-O 3.31Å; W456-Q458 PolarHBondContact O-N 3.14Å; W456-Q458 VanDerWaalsContact O-N 3.09Å
459	F	92.9	Very high	94.2	Very high	19 Å²	19	43.1 Å²	43.1	8%	0.083	19%	0.192	C	C	.	.	S	Bend	trans	-73	139.2	179.2	-79.8	-139.6	0	0	0	109.9	V273 M390 A391 W456 E463 K464	V273-F459 HydrophobicContact CG2-CE2 4.27Å; M390-F459 HydrophobicContact CE-CZ 4.49Å; M390-F459 HydrophobicContact CG-CE1 4.28Å; M390-F459 HydrophobicContact CG-CE2 3.78Å; M390-F459 HydrophobicContact CG-CZ 3.48Å; M390-F459 VanDerWaalsContact CG-CZ 3.48Å; M390-F459 HydrophobicContact SD-CZ 4.08Å; A391-F459 HydrophobicContact CB-CD2 3.97Å; A391-F459 HydrophobicContact CB-CE2 4.37Å; W456-F459 HydrophobicContact CB-CB 4.13Å; W456-F459 HydrophobicContact CB-CD1 4.16Å; W456-F459 HydrophobicContact CB-CD2 3.56Å; W456-F459 HydrophobicContact CB-CE1 4.47Å; W456-F459 HydrophobicContact CB-CE2 3.89Å; W456-F459 HydrophobicContact CB-CG 3.69Å; W456-F459 HydrophobicContact CB-CZ 4.33Å; W456-F459 HydrophobicContact CD2-CD1 4.26Å; W456-F459 AromaticContact CD2-CE1 3.87Å; W456-F459 HydrophobicContact CD2-CE1 3.87Å; W456-F459 HydrophobicContact CD2-CE2 4.23Å; W456-F459 AromaticContact CD2-CZ 3.83Å; W456-F459 HydrophobicContact CD2-CZ 3.83Å; W456-F459 AromaticContact CE3-CD1 3.63Å; W456-F459 HydrophobicContact CE3-CD1 3.63Å; W456-F459 AromaticContact CE3-CE1 3.31Å; W456-F459 HydrophobicContact CE3-CE1 3.31Å; W456-F459 HydrophobicContact CE3-CE2 4.47Å; W456-F459 HydrophobicContact CE3-CG 4.35Å; W456-F459 AromaticContact CE3-CZ 3.76Å; W456-F459 HydrophobicContact CE3-CZ 3.76Å; W456-F459 HydrophobicContact CG-CD2 4.18Å; W456-F459 HydrophobicContact CG-CE1 4.38Å; W456-F459 AromaticContact CG-CE2 4Å; W456-F459 HydrophobicContact CG-CE2 4Å; W456-F459 HydrophobicContact CG-CG 4.42Å; W456-F459 HydrophobicContact CG-CZ 4.1Å; W456-F459 HydrophobicContact CZ3-CD1 4.36Å; W456-F459 AromaticContact CZ3-CE1 3.75Å; W456-F459 HydrophobicContact CZ3-CE1 3.75Å; W456-F459 HydrophobicContact CZ3-CZ 4.3Å; W456-F459 WeakPolarHBondContact O-CB 3.38Å; W456-F459 PolarHBondContact O-N 2.97Å; F459-E463 WeakPolarHBondContact CA-OE2 3.49Å; F459-E463 HydrophobicContact CB-CB 4.16Å; F459-E463 HydrophobicContact CD1-CB 3.84Å; F459-E463 HydrophobicContact CG-CB 4.38Å; F459-K464 HydrophobicContact CB-CG 4.26Å
460	K	93.8	Very high	94.4	Very high	115 Å²	115	40.2 Å²	40.2	50%	0.5	18%	0.179	S	C	.	.			trans	-65.3	157.6	175.5	-60.8	177.3	-173.5	172.7	0	110.4	S462 E463 K464	K460-S462 PolarHBondContact O-N 3.33Å; K460-E463 HydrophobicContact CB-CG 4.27Å; K460-E463 PolarHBondContact N-OE2 2.9Å; K460-E463 PolarHBondContact O-N 3.15Å; K460-K464 PolarHBondContact O-N 3.48Å
461	H	95.3	Very high	94.6	Very high	43 Å²	43	31.8 Å²	31.8	20%	0.199	15%	0.147	C	C	.	.	H	α-helix	trans	-59.5	-35.6	173.6	-69.4	-43	0	0	0	112.5	I52 P53 E56 Y452 E463 K464 V465	I52-H461 HydrophobicContact CD1-CB 4.39Å; I52-H461 HydrophobicContact CG1-CB 4.11Å; I52-H461 HydrophobicContact CG2-CB 3.84Å; P53-H461 WeakPolarHBondContact CD-NE2 3.3Å; E56-H461 IonicContact OE1-CD2 3.72Å; E56-H461 IonicContact OE2-CD2 2.72Å; E56-H461 PolarHBondContact OE2-CD2 2.83Å; Y452-H461 AromaticContact CE1-CE1 3.82Å; Y452-H461 AromaticContact CE1-ND1 3.63Å; Y452-H461 AromaticContact CZ-ND1 3.75Å; Y452-H461 PolarHBondContact OH-ND1 3.44Å; H461-E463 VanDerWaalsContact C-N 3.33Å; H461-E463 PolarHBondContact O-N 2.81Å; H461-K464 PolarHBondContact O-N 3.3Å; H461-V465 VanDerWaalsContact O-CG2 3.29Å; H461-V465 WeakPolarHBondContact O-CG2 3.49Å; H461-V465 PolarHBondContact O-N 3.48Å
462	S	95	Very high	94.7	Very high	33 Å²	33	31.2 Å²	31.2	23%	0.231	14%	0.144	C	C	.	.	H	α-helix	trans	-58.8	-42.3	171.5	58.5	0	0	0	0	112.4	H91 K460 V465 H466	H91-S462 PolarHBondContact CE1-O 3.06Å; H91-S462 PolarHBondContact NE2-O 2.89Å; K460-S462 PolarHBondContact O-N 3.33Å; S462-V465 PolarHBondContact O-N 3.25Å; S462-H466 WeakPolarHBondContact O-CB 3.47Å; S462-H466 PolarHBondContact O-N 3.35Å
463	E	95.9	Very high	94.9	Very high	15 Å²	15	31.2 Å²	31.2	7%	0.07	14%	0.144	C	C	.	.	H	α-helix	trans	-69.1	-35.4	177.5	-63	173	128.7	0	0	111.7	M390 A391 F459 K460 H461 H466 V467	M390-E463 WeakPolarHBondContact CA-OE1 3.31Å; A391-E463 WeakPolarHBondContact CA-OE2 3.04Å; A391-E463 PolarHBondContact N-OE1 3.38Å; A391-E463 PolarHBondContact N-OE2 2.81Å; F459-E463 WeakPolarHBondContact CA-OE2 3.49Å; F459-E463 HydrophobicContact CB-CB 4.16Å; F459-E463 HydrophobicContact CD1-CB 3.84Å; F459-E463 HydrophobicContact CG-CB 4.38Å; K460-E463 HydrophobicContact CB-CG 4.27Å; K460-E463 PolarHBondContact N-OE2 2.9Å; K460-E463 PolarHBondContact O-N 3.15Å; H461-E463 VanDerWaalsContact C-N 3.33Å; H461-E463 PolarHBondContact O-N 2.81Å; E463-H466 WeakPolarHBondContact O-CB 3.34Å; E463-H466 PolarHBondContact O-N 3.23Å; E463-V467 WeakPolarHBondContact O-CG2 3.44Å; E463-V467 PolarHBondContact O-N 3.29Å
464	K	97	Very high	95.1	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.035	12%	0.123	C	C	.	.	H	α-helix	trans	-69.9	-35.9	173.7	-66.8	-170.4	173.7	-166.7	0	112.5	Y452 F455 W456 F459 K460 H461 V467 N468	Y452-K464 HydrophobicContact CD1-CD 4.46Å; Y452-K464 HydrophobicContact CD2-CD 4.49Å; Y452-K464 HydrophobicContact CE1-CD 3.94Å; Y452-K464 HydrophobicContact CE2-CB 3.73Å; Y452-K464 HydrophobicContact CE2-CD 3.95Å; Y452-K464 HydrophobicContact CE2-CG 4.45Å; Y452-K464 PolarHBondContact O-NZ 3.42Å; F455-K464 HydrophobicContact CE2-CD 4.36Å; F455-K464 HydrophobicContact CE2-CG 4.12Å; F455-K464 HydrophobicContact CZ-CB 4.34Å; F455-K464 HydrophobicContact CZ-CD 4.01Å; F455-K464 HydrophobicContact CZ-CG 3.98Å; F455-K464 WeakPolarHBondContact O-CE 3.48Å; F455-K464 PolarHBondContact O-NZ 3.48Å; W456-K464 WeakPolarHBondContact O-CE 3.3Å; F459-K464 HydrophobicContact CB-CG 4.26Å; K460-K464 PolarHBondContact O-N 3.48Å; H461-K464 PolarHBondContact O-N 3.3Å; K464-V467 PolarHBondContact O-N 3.01Å; K464-N468 PolarHBondContact O-N 2.97Å; K464-N468 PolarHBondContact O-ND2 3.49Å
465	V	97.6	Very high	95.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.4	-44.3	172.4	173.4	0	0	0	0	109.8	I52 V87 F90 F215 H461 S462 V467 N468 L469	I52-V465 HydrophobicContact CD1-CG2 3.54Å; V87-V465 HydrophobicContact CG1-CG1 4.28Å; V87-V465 HydrophobicContact CG1-CG2 3.9Å; F90-V465 HydrophobicContact CB-CG1 4.46Å; F90-V465 HydrophobicContact CD2-CB 4.23Å; F90-V465 HydrophobicContact CD2-CG1 4.39Å; F90-V465 HydrophobicContact CD2-CG2 3.83Å; F90-V465 HydrophobicContact CE2-CG2 4.24Å; F215-V465 HydrophobicContact CE2-CG1 4.28Å; F215-V465 HydrophobicContact CZ-CG1 4.29Å; H461-V465 VanDerWaalsContact O-CG2 3.29Å; H461-V465 WeakPolarHBondContact O-CG2 3.49Å; H461-V465 PolarHBondContact O-N 3.48Å; S462-V465 PolarHBondContact O-N 3.25Å; V465-V467 VanDerWaalsContact C-N 3.33Å; V465-V467 PolarHBondContact O-N 3.08Å; V465-N468 WeakPolarHBondContact O-CA 3.25Å; V465-N468 WeakPolarHBondContact O-CB 3.24Å; V465-N468 PolarHBondContact O-N 2.97Å; V465-L469 WeakPolarHBondContact O-CG 3.38Å; V465-L469 PolarHBondContact O-N 2.93Å
466	H	97.4	Very high	95.9	Very high	22 Å²	22	24.9 Å²	24.9	10%	0.102	11%	0.11	C	C	.	.	H	α-helix	trans	-54	-48.2	172.8	-179.3	-167.8	0	0	0	111.9	H91 L385 S462 E463 N468 L469 L470	H91-H466 WeakPolarHBondContact NE2-CA 3.45Å; H91-H466 WeakPolarHBondContact NE2-CB 2.89Å; H91-H466 PolarHBondContact NE2-N 2.9Å; H91-H466 VanDerWaalsContact NE2-N 3.16Å; L385-H466 WeakPolarHBondContact CB-NE2 3.19Å; L385-H466 PolarHBondContact O-CE1 3.29Å; L385-H466 PolarHBondContact O-NE2 3.24Å; L385-H466 VanDerWaalsContact O-NE2 3.11Å; S462-H466 WeakPolarHBondContact O-CB 3.47Å; S462-H466 PolarHBondContact O-N 3.35Å; E463-H466 WeakPolarHBondContact O-CB 3.34Å; E463-H466 PolarHBondContact O-N 3.23Å; H466-N468 VanDerWaalsContact C-N 3.32Å; H466-N468 PolarHBondContact O-N 3.14Å; H466-L469 WeakPolarHBondContact O-CB 3.33Å; H466-L469 PolarHBondContact O-N 3.42Å; H466-L469 VanDerWaalsContact O-N 3.14Å; H466-L470 PolarHBondContact O-N 3.09Å
467	V	97.6	Very high	96.5	Very high	11 Å²	11	24.4 Å²	24.4	7%	0.067	11%	0.109	C	C	.	.	H	α-helix	trans	-55.8	-48.1	174.5	169	0	0	0	0	110.8	F433 W456 E463 K464 V465 L469 L470 L471	F433-V467 HydrophobicContact CE2-CG1 3.76Å; F433-V467 HydrophobicContact CZ-CG1 3.62Å; W456-V467 HydrophobicContact CE3-CG2 4.25Å; W456-V467 HydrophobicContact CZ3-CG2 3.69Å; E463-V467 WeakPolarHBondContact O-CG2 3.44Å; E463-V467 PolarHBondContact O-N 3.29Å; K464-V467 PolarHBondContact O-N 3.01Å; V465-V467 VanDerWaalsContact C-N 3.33Å; V465-V467 PolarHBondContact O-N 3.08Å; V467-L469 VanDerWaalsContact C-N 3.3Å; V467-L469 PolarHBondContact O-N 3.12Å; V467-L470 WeakPolarHBondContact O-CA 3.47Å; V467-L470 VanDerWaalsContact O-CB 3.3Å; V467-L470 WeakPolarHBondContact O-CB 3.38Å; V467-L470 PolarHBondContact O-N 3.49Å; V467-L470 VanDerWaalsContact O-N 3.07Å; V467-L471 HydrophobicContact CG1-CD1 4.47Å; V467-L471 HydrophobicContact CG1-CD2 4.2Å; V467-L471 HydrophobicContact CG1-CG 4.23Å; V467-L471 VanDerWaalsContact O-CG 3.27Å; V467-L471 WeakPolarHBondContact O-CG 3.34Å; V467-L471 PolarHBondContact O-N 3.01Å
468	N	98.5	Very high	97	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.2	-36	178.5	-78.5	-78.5	0	0	0	112.8	F215 G218 Y436 K464 V465 H466 L470 L471 I472	F215-N468 HydrophobicContact CD2-CB 4.13Å; F215-N468 HydrophobicContact CE2-CB 4.27Å; G218-N468 WeakPolarHBondContact CA-OD1 3.22Å; Y436-N468 PolarHBondContact OH-ND2 3.42Å; Y436-N468 PolarHBondContact OH-OD1 2.83Å; K464-N468 PolarHBondContact O-N 2.97Å; K464-N468 PolarHBondContact O-ND2 3.49Å; V465-N468 WeakPolarHBondContact O-CA 3.25Å; V465-N468 WeakPolarHBondContact O-CB 3.24Å; V465-N468 PolarHBondContact O-N 2.97Å; H466-N468 VanDerWaalsContact C-N 3.32Å; H466-N468 PolarHBondContact O-N 3.14Å; N468-L470 VanDerWaalsContact C-N 3.33Å; N468-L471 PolarHBondContact O-N 2.74Å; N468-I472 WeakPolarHBondContact O-CG2 3.41Å; N468-I472 PolarHBondContact O-N 3.38Å
469	L	98.6	Very high	97.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61	-43.2	172.4	-64.3	-177.7	0	0	0	111.6	M88 H91 Y94 F215 V465 H466 V467 L471 I472 E473	M88-L469 HydrophobicContact CE-CD2 4.11Å; M88-L469 HydrophobicContact CG-CD2 4.4Å; H91-L469 HydrophobicContact CB-CD1 3.9Å; H91-L469 VanDerWaalsContact CD2-CD1 3.47Å; H91-L469 WeakPolarHBondContact CD2-CD1 3.18Å; Y94-L469 HydrophobicContact CD1-CD1 3.64Å; Y94-L469 HydrophobicContact CD1-CD2 3.69Å; Y94-L469 HydrophobicContact CD1-CG 4.25Å; Y94-L469 HydrophobicContact CD2-CD1 4.31Å; Y94-L469 HydrophobicContact CE1-CD1 4.2Å; Y94-L469 HydrophobicContact CE1-CD2 3.37Å; Y94-L469 HydrophobicContact CE1-CG 4.32Å; Y94-L469 HydrophobicContact CE2-CD2 4.48Å; Y94-L469 HydrophobicContact CG-CD1 3.72Å; Y94-L469 HydrophobicContact CG-CD2 4.4Å; F215-L469 HydrophobicContact CD2-CD2 3.99Å; F215-L469 HydrophobicContact CE2-CD2 3.49Å; F215-L469 VanDerWaalsContact CE2-CD2 3.49Å; F215-L469 HydrophobicContact CE2-CG 4.26Å; F215-L469 HydrophobicContact CZ-CD2 4.2Å; V465-L469 WeakPolarHBondContact O-CG 3.38Å; V465-L469 PolarHBondContact O-N 2.93Å; H466-L469 WeakPolarHBondContact O-CB 3.33Å; H466-L469 PolarHBondContact O-N 3.42Å; H466-L469 VanDerWaalsContact O-N 3.14Å; V467-L469 VanDerWaalsContact C-N 3.3Å; V467-L469 PolarHBondContact O-N 3.12Å; L469-L471 VanDerWaalsContact C-N 3.33Å; L469-L471 PolarHBondContact O-N 3.35Å; L469-I472 HydrophobicContact CD2-CD1 4.18Å; L469-I472 VanDerWaalsContact O-CG1 3.24Å; L469-I472 WeakPolarHBondContact O-CG1 3.41Å; L469-I472 PolarHBondContact O-N 2.88Å; L469-E473 WeakPolarHBondContact O-CG 3.42Å; L469-E473 PolarHBondContact O-N 3.45Å; L469-E473 VanDerWaalsContact O-N 3.16Å
470	L	98.4	Very high	97.7	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-62.5	-40.6	174.8	-168	71.5	0	0	0	111.7	A382 R402 I405 W406 H466 V467 N468 A474	A382-L470 WeakPolarHBondContact O-CD1 3.14Å; R402-L470 HydrophobicContact CB-CD2 3.99Å; R402-L470 HydrophobicContact CG-CD2 4.12Å; I405-L470 HydrophobicContact CB-CD2 3.71Å; I405-L470 HydrophobicContact CD1-CD2 3.82Å; I405-L470 HydrophobicContact CG1-CD2 4.39Å; I405-L470 HydrophobicContact CG2-CD2 3.74Å; I405-L470 HydrophobicContact CG2-CG 4.28Å; W406-L470 HydrophobicContact CE3-CD1 3.52Å; W406-L470 HydrophobicContact CE3-CG 4.13Å; W406-L470 HydrophobicContact CZ3-CD1 3.92Å; H466-L470 PolarHBondContact O-N 3.09Å; V467-L470 WeakPolarHBondContact O-CA 3.47Å; V467-L470 VanDerWaalsContact O-CB 3.3Å; V467-L470 WeakPolarHBondContact O-CB 3.38Å; V467-L470 PolarHBondContact O-N 3.49Å; V467-L470 VanDerWaalsContact O-N 3.07Å; N468-L470 VanDerWaalsContact C-N 3.33Å; L470-A474 WeakPolarHBondContact O-CB 3.42Å; L470-A474 PolarHBondContact O-N 3.31Å; L470-A474 VanDerWaalsContact O-N 3.1Å
471	L	98.7	Very high	97.9	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-62.1	-45.5	179.2	-55.5	-169.2	0	0	0	112.1	I405 I409 Y436 I437 V440 V441 V467 N468 L469 R475	I405-L471 HydrophobicContact CG2-CD2 3.39Å; I409-L471 HydrophobicContact CD1-CB 4.21Å; I409-L471 HydrophobicContact CD1-CD2 3.69Å; Y436-L471 HydrophobicContact CD1-CD1 4.41Å; Y436-L471 HydrophobicContact CE1-CD1 3.96Å; I437-L471 HydrophobicContact CB-CD2 4.45Å; I437-L471 HydrophobicContact CD1-CD2 4.46Å; I437-L471 HydrophobicContact CG1-CD1 4.33Å; I437-L471 HydrophobicContact CG1-CD2 3.85Å; I437-L471 HydrophobicContact CG2-CD2 4.03Å; V440-L471 HydrophobicContact CB-CD1 3.95Å; V440-L471 HydrophobicContact CG1-CD1 3.8Å; V440-L471 HydrophobicContact CG2-CD1 4.33Å; V441-L471 HydrophobicContact CG1-CB 4.02Å; V467-L471 HydrophobicContact CG1-CD1 4.47Å; V467-L471 HydrophobicContact CG1-CD2 4.2Å; V467-L471 HydrophobicContact CG1-CG 4.23Å; V467-L471 VanDerWaalsContact O-CG 3.27Å; V467-L471 WeakPolarHBondContact O-CG 3.34Å; V467-L471 PolarHBondContact O-N 3.01Å; N468-L471 PolarHBondContact O-N 2.74Å; L469-L471 VanDerWaalsContact C-N 3.33Å; L469-L471 PolarHBondContact O-N 3.35Å; L471-R475 VanDerWaalsContact O-CB 3.27Å; L471-R475 WeakPolarHBondContact O-CB 3.45Å; L471-R475 PolarHBondContact O-N 3.02Å
472	I	98.3	Very high	98.1	Very high	3 Å²	3	5.1 Å²	5.1	2%	0.015	3%	0.028	C	C	.	.	H	α-helix	trans	-73.3	-35.4	-175.5	67.5	175	0	0	0	112.5	M88 S211 F215 N468 L469 M476	M88-I472 HydrophobicContact CE-CD1 4.48Å; S211-I472 WeakPolarHBondContact CB-O 3.46Å; S211-I472 WeakPolarHBondContact O-CG2 3.15Å; S211-I472 PolarHBondContact OG-O 2.75Å; F215-I472 HydrophobicContact CB-CD1 3.91Å; F215-I472 HydrophobicContact CB-CG2 3.79Å; F215-I472 HydrophobicContact CD2-CD1 3.9Å; F215-I472 HydrophobicContact CG-CD1 4.12Å; N468-I472 WeakPolarHBondContact O-CG2 3.41Å; N468-I472 PolarHBondContact O-N 3.38Å; L469-I472 HydrophobicContact CD2-CD1 4.18Å; L469-I472 VanDerWaalsContact O-CG1 3.24Å; L469-I472 WeakPolarHBondContact O-CG1 3.41Å; L469-I472 PolarHBondContact O-N 2.88Å; I472-M476 WeakPolarHBondContact O-CB 3.46Å; I472-M476 PolarHBondContact O-N 2.06Å
473	E	98.7	Very high	98.2	Very high	2 Å²	2	3.5 Å²	3.5	1%	0.009	2%	0.017	C	C	.	.	H	α-helix	trans	-74.1	-39.3	178.6	-66.2	-49.9	145.5	0	0	111.5	Y94 K378 F379 A382 W406 L469 R475 M476 Q477	Y94-E473 HydrophobicContact CE2-CG 3.91Å; Y94-E473 PolarHBondContact OH-OE1 3.06Å; K378-E473 WeakPolarHBondContact CE-OE1 3.35Å; K378-E473 WeakPolarHBondContact CE-OE2 3.39Å; K378-E473 IonicContact NZ-OE1 3.68Å; K378-E473 PolarHBondContact NZ-OE1 3.16Å; K378-E473 IonicContact NZ-OE2 3.79Å; K378-E473 PolarHBondContact NZ-OE2 3Å; F379-E473 HydrophobicContact CD1-CB 3.97Å; F379-E473 HydrophobicContact CD1-CG 4.42Å; F379-E473 VanDerWaalsContact CD1-OE2 3.26Å; F379-E473 WeakPolarHBondContact CD1-OE2 3.31Å; F379-E473 HydrophobicContact CE1-CB 4.3Å; F379-E473 WeakPolarHBondContact CE1-O 3.37Å; F379-E473 WeakPolarHBondContact CE1-OE2 3.46Å; A382-E473 HydrophobicContact CB-CB 3.95Å; A382-E473 HydrophobicContact CB-CG 3.56Å; W406-E473 HydrophobicContact CH2-CB 3.85Å; W406-E473 HydrophobicContact CZ3-CB 3.9Å; L469-E473 WeakPolarHBondContact O-CG 3.42Å; L469-E473 PolarHBondContact O-N 3.45Å; L469-E473 VanDerWaalsContact O-N 3.16Å; E473-R475 VanDerWaalsContact C-N 3.31Å; E473-R475 PolarHBondContact O-N 2.94Å; E473-M476 PolarHBondContact O-N 3.26Å; E473-Q477 WeakPolarHBondContact O-CB 3.23Å; E473-Q477 PolarHBondContact O-N 3.28Å
474	A	98.7	Very high	98.4	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-60.6	-42.7	172.3	0	0	0	0	0	111.5	W406 I409 H410 L470 A478	W406-A474 HydrophobicContact CD2-CB 3.54Å; W406-A474 HydrophobicContact CE3-CB 3.59Å; W406-A474 HydrophobicContact CG-CB 4.02Å; W406-A474 HydrophobicContact CH2-CB 4.3Å; W406-A474 HydrophobicContact CZ2-CB 4.23Å; W406-A474 HydrophobicContact CZ3-CB 3.99Å; I409-A474 HydrophobicContact CB-CB 4.14Å; I409-A474 HydrophobicContact CD1-CB 3.65Å; I409-A474 HydrophobicContact CG2-CB 4.06Å; H410-A474 PolarHBondContact NE2-O 3.19Å; L470-A474 WeakPolarHBondContact O-CB 3.42Å; L470-A474 PolarHBondContact O-N 3.31Å; L470-A474 VanDerWaalsContact O-N 3.1Å; A474-A478 WeakPolarHBondContact O-CB 3.46Å; A474-A478 PolarHBondContact O-N 3.16Å
475	R	98.5	Very high	98.4	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-62.1	-49.7	174.9	179.6	-174.1	170.2	164.3	13.6	111.5	H128 A172 H210 S214 F413 V441 L471 E473 Q477 A478 E479	H128-R475 PolarHBondContact CE1-NH1 3.37Å; H128-R475 PolarHBondContact CE1-NH2 2.77Å; H128-R475 VanDerWaalsContact CE1-NH2 3.33Å; H128-R475 PolarHBondContact NE2-NH1 2.96Å; H128-R475 PolarHBondContact NE2-NH2 2.88Å; A172-R475 PolarHBondContact O-NH2 3.27Å; H210-R475 PolarHBondContact O-NH1 2.98Å; S214-R475 PolarHBondContact OG-NH1 3.45Å; F413-R475 HydrophobicContact CZ-CG 4.37Å; V441-R475 VanDerWaalsContact O-CZ 3.27Å; V441-R475 PolarHBondContact O-NE 3.33Å; V441-R475 PolarHBondContact O-NH1 3.38Å; L471-R475 VanDerWaalsContact O-CB 3.27Å; L471-R475 WeakPolarHBondContact O-CB 3.45Å; L471-R475 PolarHBondContact O-N 3.02Å; E473-R475 VanDerWaalsContact C-N 3.31Å; E473-R475 PolarHBondContact O-N 2.94Å; R475-Q477 VanDerWaalsContact C-N 3.31Å; R475-Q477 PolarHBondContact O-N 3.22Å; R475-A478 WeakPolarHBondContact O-CB 3.38Å; R475-A478 PolarHBondContact O-N 3.37Å; R475-E479 IonicContact CZ-OE1 3.47Å; R475-E479 IonicContact NE-OE1 3.95Å; R475-E479 PolarHBondContact NE-OE1 3.44Å; R475-E479 IonicContact NH2-OE1 3.31Å; R475-E479 PolarHBondContact NH2-OE1 3.21Å; R475-E479 PolarHBondContact O-N 2.66Å; R475-E479 VanDerWaalsContact O-N 3.07Å
476	M	98.7	Very high	98.4	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.005	2%	0.021	C	C	.	.	H	α-helix	trans	-58.6	-44.5	179.7	-174.7	172	169.2	0	0	110.9	H208 S211 I375 F379 I472 E473 A478 E479 L480	H208-M476 HydrophobicContact CB-CE 4.06Å; H208-M476 HydrophobicContact CB-SD 4.35Å; S211-M476 WeakPolarHBondContact OG-CA 3.44Å; S211-M476 WeakPolarHBondContact OG-CB 3.3Å; S211-M476 PolarHBondContact OG-N 3.38Å; I375-M476 HydrophobicContact CD1-CE 4.3Å; I375-M476 HydrophobicContact CG1-CE 4.22Å; I375-M476 HydrophobicContact CG2-CE 4.41Å; F379-M476 HydrophobicContact CE1-CB 4.17Å; F379-M476 HydrophobicContact CE1-CG 4.27Å; F379-M476 HydrophobicContact CE1-SD 4.45Å; F379-M476 HydrophobicContact CZ-CB 4.46Å; F379-M476 HydrophobicContact CZ-CG 4.29Å; I472-M476 WeakPolarHBondContact O-CB 3.46Å; I472-M476 PolarHBondContact O-N 2.06Å; E473-M476 PolarHBondContact O-N 3.26Å; M476-A478 PolarHBondContact O-N 2.7Å; M476-E479 PolarHBondContact O-N 3.23Å; M476-L480 HydrophobicContact CE-CD1 4.05Å; M476-L480 HydrophobicContact CG-CD1 4.2Å; M476-L480 WeakPolarHBondContact O-CB 3.46Å; M476-L480 WeakPolarHBondContact O-CG 3.5Å; M476-L480 PolarHBondContact O-N 3.39Å
477	Q	98.6	Very high	98.5	Very high	7 Å²	7	3.5 Å²	3.5	3%	0.033	2%	0.016	C	C	.	.	H	α-helix	trans	-61	-45	177	-167.8	-176.4	66	0	0	111.3	W356 F379 W406 H410 E473 R475 E479 L480 L481	W356-Q477 HydrophobicContact CB-CG 4.44Å; F379-Q477 HydrophobicContact CD2-CB 4.49Å; F379-Q477 HydrophobicContact CD2-CG 4.3Å; F379-Q477 HydrophobicContact CE1-CB 4.1Å; F379-Q477 HydrophobicContact CE2-CB 3.85Å; F379-Q477 HydrophobicContact CE2-CG 3.79Å; F379-Q477 HydrophobicContact CZ-CB 3.62Å; F379-Q477 HydrophobicContact CZ-CG 4.11Å; W406-Q477 HydrophobicContact CZ2-CB 4.05Å; W406-Q477 HydrophobicContact CZ2-CG 4.46Å; W406-Q477 VanDerWaalsContact CZ2-OE1 3.27Å; W406-Q477 VanDerWaalsContact NE1-OE1 3.14Å; H410-Q477 PolarHBondContact CE1-OE1 2.85Å; H410-Q477 PolarHBondContact NE2-OE1 2.84Å; E473-Q477 WeakPolarHBondContact O-CB 3.23Å; E473-Q477 PolarHBondContact O-N 3.28Å; R475-Q477 VanDerWaalsContact C-N 3.31Å; R475-Q477 PolarHBondContact O-N 3.22Å; Q477-E479 PolarHBondContact O-N 2.86Å; Q477-L480 PolarHBondContact O-N 3.05Å; Q477-L481 HydrophobicContact CG-CD1 4.17Å; Q477-L481 HydrophobicContact CG-CG 4.37Å; Q477-L481 WeakPolarHBondContact O-CB 3.48Å; Q477-L481 VanDerWaalsContact O-CG 3.24Å; Q477-L481 WeakPolarHBondContact O-CG 3.47Å; Q477-L481 PolarHBondContact O-N 2.84Å
478	A	98.6	Very high	98.5	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-58.4	-46.6	177.7	0	0	0	0	0	112.5	F413 I415 A474 R475 M476 L481 Y482	F413-A478 HydrophobicContact CB-CB 4.2Å; F413-A478 HydrophobicContact CD2-CB 4.27Å; F413-A478 HydrophobicContact CG-CB 4.11Å; I415-A478 HydrophobicContact CD1-CB 3.6Å; A474-A478 WeakPolarHBondContact O-CB 3.46Å; A474-A478 PolarHBondContact O-N 3.16Å; R475-A478 WeakPolarHBondContact O-CB 3.38Å; R475-A478 PolarHBondContact O-N 3.37Å; M476-A478 PolarHBondContact O-N 2.7Å; A478-L481 PolarHBondContact O-N 3.33Å; A478-Y482 VanDerWaalsContact O-CD2 3.25Å; A478-Y482 WeakPolarHBondContact O-CD2 3.38Å; A478-Y482 PolarHBondContact O-N 3.23Å
479	E	98.7	Very high	98.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.6	-43.4	178.4	-65.3	-176.4	-149	0	0	112	L171 P175 T207 H210 R475 M476 Q477 L481 Y482 A483	L171-E479 HydrophobicContact CD2-CB 4.16Å; P175-E479 HydrophobicContact CB-CG 4.49Å; P175-E479 HydrophobicContact CG-CG 4.32Å; T207-E479 HydrophobicContact CG2-CB 3.47Å; T207-E479 VanDerWaalsContact CG2-CB 3.47Å; H210-E479 IonicContact CE1-OE2 3.58Å; H210-E479 IonicContact CG-OE2 3.32Å; H210-E479 IonicContact ND1-OE1 2.97Å; H210-E479 IonicContact ND1-OE2 2.68Å; H210-E479 PolarHBondContact ND1-OE2 3.23Å; R475-E479 IonicContact CZ-OE1 3.47Å; R475-E479 IonicContact NE-OE1 3.95Å; R475-E479 PolarHBondContact NE-OE1 3.44Å; R475-E479 IonicContact NH2-OE1 3.31Å; R475-E479 PolarHBondContact NH2-OE1 3.21Å; R475-E479 PolarHBondContact O-N 2.66Å; R475-E479 VanDerWaalsContact O-N 3.07Å; M476-E479 PolarHBondContact O-N 3.23Å; Q477-E479 PolarHBondContact O-N 2.86Å; E479-L481 PolarHBondContact O-N 3.32Å; E479-Y482 PolarHBondContact O-N 3.09Å; E479-A483 PolarHBondContact O-N 3.27Å; E479-A483 VanDerWaalsContact O-N 3.15Å
480	L	98.7	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.7	-45.1	176.3	-76.6	176.8	0	0	0	111.8	V203 V204 T207 W356 I375 F379 M476 Q477 Y482 A483 L484	V203-L480 HydrophobicContact CG1-CD2 3.9Å; V204-L480 HydrophobicContact CG2-CD2 4.38Å; T207-L480 HydrophobicContact CG2-CD2 4.06Å; T207-L480 HydrophobicContact CG2-CG 4.23Å; T207-L480 WeakPolarHBondContact OG1-CD2 3.49Å; W356-L480 HydrophobicContact CH2-CD1 4.5Å; W356-L480 HydrophobicContact CZ3-CD1 4.05Å; I375-L480 HydrophobicContact CD1-CD1 4.42Å; I375-L480 HydrophobicContact CG2-CD1 4.12Å; F379-L480 HydrophobicContact CE2-CD1 4.41Å; F379-L480 HydrophobicContact CZ-CD1 4Å; M476-L480 HydrophobicContact CE-CD1 4.05Å; M476-L480 HydrophobicContact CG-CD1 4.2Å; M476-L480 WeakPolarHBondContact O-CB 3.46Å; M476-L480 WeakPolarHBondContact O-CG 3.5Å; M476-L480 PolarHBondContact O-N 3.39Å; Q477-L480 PolarHBondContact O-N 3.05Å; L480-Y482 VanDerWaalsContact C-N 3.29Å; L480-Y482 PolarHBondContact O-N 3.48Å; L480-A483 PolarHBondContact O-N 2.87Å; L480-L484 HydrophobicContact CB-CD1 4.12Å; L480-L484 WeakPolarHBondContact O-CB 3.19Å; L480-L484 WeakPolarHBondContact O-CG 3.19Å; L480-L484 PolarHBondContact O-N 3.3Å
481	L	98.7	Very high	98.2	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-56.2	-44.1	179.6	-75.7	171.7	0	0	0	111.9	F349 Y354 W356 I415 Q477 A478 E479 R485	F349-L481 HydrophobicContact CE1-CB 4.43Å; F349-L481 HydrophobicContact CE1-CD1 4.46Å; F349-L481 HydrophobicContact CE2-CB 4.11Å; F349-L481 HydrophobicContact CZ-CB 3.8Å; F349-L481 HydrophobicContact CZ-CD2 4.26Å; F349-L481 HydrophobicContact CZ-CG 4.44Å; Y354-L481 HydrophobicContact CD1-CD2 4.13Å; Y354-L481 HydrophobicContact CE1-CD2 4.3Å; W356-L481 HydrophobicContact CB-CD2 4.26Å; I415-L481 HydrophobicContact CD1-CD1 4.08Å; Q477-L481 HydrophobicContact CG-CD1 4.17Å; Q477-L481 HydrophobicContact CG-CG 4.37Å; Q477-L481 WeakPolarHBondContact O-CB 3.48Å; Q477-L481 VanDerWaalsContact O-CG 3.24Å; Q477-L481 WeakPolarHBondContact O-CG 3.47Å; Q477-L481 PolarHBondContact O-N 2.84Å; A478-L481 PolarHBondContact O-N 3.33Å; E479-L481 PolarHBondContact O-N 3.32Å; L481-R485 WeakPolarHBondContact O-CB 3.26Å; L481-R485 PolarHBondContact O-N 3.44Å
482	Y	98.6	Very high	97.8	Very high	3 Å²	3	25.6 Å²	25.6	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-66.6	-46.8	178	-80.1	-66.2	0	0	0	113	P175 W176 F349 F413 I415 A478 E479 L480 A486	P175-Y482 HydrophobicContact CB-CD2 3.8Å; P175-Y482 HydrophobicContact CB-CG 4.15Å; P175-Y482 HydrophobicContact CG-CD2 3.97Å; P175-Y482 HydrophobicContact CG-CE2 4.44Å; P175-Y482 WeakPolarHBondContact O-CB 3.34Å; W176-Y482 VanDerWaalsContact CA-CE1 3.42Å; W176-Y482 HydrophobicContact CB-CD1 4.33Å; W176-Y482 HydrophobicContact CB-CE1 3.67Å; W176-Y482 HydrophobicContact CB-CE2 4.09Å; F349-Y482 HydrophobicContact CB-CE1 3.94Å; F349-Y482 WeakPolarHBondContact CB-OH 3.4Å; F349-Y482 AromaticContact CD2-CD1 3.79Å; F349-Y482 HydrophobicContact CD2-CD1 3.79Å; F349-Y482 AromaticContact CD2-CE1 3.51Å; F349-Y482 HydrophobicContact CD2-CE1 3.51Å; F349-Y482 HydrophobicContact CD2-CG 4.48Å; F349-Y482 HydrophobicContact CE2-CD1 4.34Å; F349-Y482 HydrophobicContact CE2-CE1 4.46Å; F349-Y482 HydrophobicContact CG-CE1 4.15Å; F413-Y482 HydrophobicContact CB-CE2 4.45Å; F413-Y482 WeakPolarHBondContact O-CE2 3.46Å; F413-Y482 PolarHBondContact O-OH 3Å; I415-Y482 HydrophobicContact CD1-CD2 4.39Å; I415-Y482 HydrophobicContact CD1-CE2 3.86Å; I415-Y482 HydrophobicContact CG1-CE2 3.82Å; A478-Y482 VanDerWaalsContact O-CD2 3.25Å; A478-Y482 WeakPolarHBondContact O-CD2 3.38Å; A478-Y482 PolarHBondContact O-N 3.23Å; E479-Y482 PolarHBondContact O-N 3.09Å; L480-Y482 VanDerWaalsContact C-N 3.29Å; L480-Y482 PolarHBondContact O-N 3.48Å; Y482-A486 PolarHBondContact O-N 3.18Å; Y482-A486 VanDerWaalsContact O-N 3.16Å
483	A	98.5	Very high	97.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.2	-48	177.4	0	0	0	0	0	112.4	L171 V203 E479 L480 R485 A486 I487	L171-A483 HydrophobicContact CD2-CB 4.03Å; V203-A483 HydrophobicContact CG1-CB 3.59Å; V203-A483 HydrophobicContact CG2-CB 4.27Å; E479-A483 PolarHBondContact O-N 3.27Å; E479-A483 VanDerWaalsContact O-N 3.15Å; L480-A483 PolarHBondContact O-N 2.87Å; A483-R485 PolarHBondContact O-N 3.46Å; A483-A486 WeakPolarHBondContact O-CB 3.36Å; A483-A486 PolarHBondContact O-N 2.85Å; A483-A486 VanDerWaalsContact O-N 3.14Å; A483-I487 WeakPolarHBondContact O-CG1 3.38Å; A483-I487 PolarHBondContact O-N 3.02Å
484	L	98.6	Very high	97.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-68.8	-36.2	-175.3	-64.8	174.2	0	0	0	111.9	Y354 W356 L363 V364 L480 A486 I487 T488	Y354-L484 HydrophobicContact CE1-CB 4.33Å; Y354-L484 VanDerWaalsContact OH-C 3.3Å; Y354-L484 WeakPolarHBondContact OH-CB 2.94Å; Y354-L484 PolarHBondContact OH-O 3.31Å; W356-L484 HydrophobicContact CE3-CD1 4.31Å; W356-L484 HydrophobicContact CZ3-CD1 3.89Å; L363-L484 HydrophobicContact CD2-CB 4.04Å; L363-L484 HydrophobicContact CD2-CD2 3.95Å; L363-L484 WeakPolarHBondContact CD2-O 3.07Å; L363-L484 HydrophobicContact CG-CD2 4.44Å; V364-L484 HydrophobicContact CG2-CD1 3.43Å; V364-L484 VanDerWaalsContact CG2-CD1 3.43Å; V364-L484 HydrophobicContact CG2-CD2 3.42Å; V364-L484 VanDerWaalsContact CG2-CD2 3.42Å; V364-L484 HydrophobicContact CG2-CG 4.06Å; L480-L484 HydrophobicContact CB-CD1 4.12Å; L480-L484 WeakPolarHBondContact O-CB 3.19Å; L480-L484 WeakPolarHBondContact O-CG 3.19Å; L480-L484 PolarHBondContact O-N 3.3Å; L484-A486 VanDerWaalsContact C-N 3.32Å; L484-A486 PolarHBondContact O-N 3.4Å; L484-I487 HydrophobicContact CD2-CD1 4.39Å; L484-I487 PolarHBondContact O-N 3.14Å; L484-T488 WeakPolarHBondContact O-CB 3.46Å; L484-T488 PolarHBondContact O-N 3.23Å; L484-T488 PolarHBondContact O-OG1 3.42Å
485	R	98.3	Very high	97.7	Very high	40 Å²	40	29.6 Å²	29.6	15%	0.151	14%	0.144	C	C	.	.	H	α-helix	trans	-62.4	-41	170.8	-173.6	-179	68.9	170.3	1.1	111.4	F349 Y354 L481 A483 T488 R489	F349-R485 HydrophobicContact CE2-CB 4.12Å; F349-R485 VanDerWaalsContact CE2-CD 3.48Å; F349-R485 HydrophobicContact CE2-CG 4.41Å; Y354-R485 HydrophobicContact CD1-CB 4.1Å; Y354-R485 HydrophobicContact CD2-CB 4.15Å; Y354-R485 HydrophobicContact CD2-CG 4Å; Y354-R485 HydrophobicContact CE1-CB 4.15Å; Y354-R485 HydrophobicContact CE2-CB 4.19Å; Y354-R485 HydrophobicContact CE2-CG 4.4Å; Y354-R485 HydrophobicContact CG-CB 4.09Å; Y354-R485 HydrophobicContact CG-CG 4.08Å; L481-R485 WeakPolarHBondContact O-CB 3.26Å; L481-R485 PolarHBondContact O-N 3.44Å; A483-R485 PolarHBondContact O-N 3.46Å; R485-T488 PolarHBondContact O-N 2.95Å; R485-R489 WeakPolarHBondContact O-CB 3.36Å; R485-R489 WeakPolarHBondContact O-CG 3.48Å; R485-R489 PolarHBondContact O-N 3.22Å
486	A	98.2	Very high	97.7	Very high	3 Å²	3	31.4 Å²	31.4	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-65.8	-40.4	176.5	0	0	0	0	0	112.2	I178 I183 Y482 A483 L484 R489 Y490	I178-A486 HydrophobicContact CG2-CB 3.63Å; I183-A486 HydrophobicContact CD1-CB 4.32Å; I183-A486 HydrophobicContact CG1-CB 3.88Å; Y482-A486 PolarHBondContact O-N 3.18Å; Y482-A486 VanDerWaalsContact O-N 3.16Å; A483-A486 WeakPolarHBondContact O-CB 3.36Å; A483-A486 PolarHBondContact O-N 2.85Å; A483-A486 VanDerWaalsContact O-N 3.14Å; L484-A486 VanDerWaalsContact C-N 3.32Å; L484-A486 PolarHBondContact O-N 3.4Å; A486-R489 PolarHBondContact O-N 3.01Å; A486-Y490 PolarHBondContact O-N 3.43Å
487	I	98.3	Very high	97.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.3	-46.5	173.5	-67.9	169.8	0	0	0	110.4	I183 L196 V200 L363 A483 L484 R489 Y490 M491	I183-I487 HydrophobicContact CD1-CG1 3.78Å; I183-I487 HydrophobicContact CG1-CG1 4.07Å; I183-I487 HydrophobicContact CG2-CG1 4.06Å; L196-I487 HydrophobicContact CD2-CG2 4Å; V200-I487 HydrophobicContact CG2-CD1 3.97Å; L363-I487 HydrophobicContact CD1-CG2 4.47Å; L363-I487 HydrophobicContact CD2-CB 4.25Å; L363-I487 HydrophobicContact CD2-CG2 4.03Å; A483-I487 WeakPolarHBondContact O-CG1 3.38Å; A483-I487 PolarHBondContact O-N 3.02Å; L484-I487 HydrophobicContact CD2-CD1 4.39Å; L484-I487 PolarHBondContact O-N 3.14Å; I487-R489 VanDerWaalsContact C-N 3.31Å; I487-R489 PolarHBondContact O-N 3.08Å; I487-Y490 WeakPolarHBondContact O-CB 3.32Å; I487-Y490 PolarHBondContact O-N 3.34Å; I487-M491 HydrophobicContact CG2-CG 4.37Å; I487-M491 HydrophobicContact CG2-SD 4.02Å; I487-M491 WeakPolarHBondContact O-CG 3.14Å; I487-M491 PolarHBondContact O-N 3.49Å
488	T	97.7	Very high	97.5	Very high	40 Å²	40	35 Å²	35	25%	0.245	17%	0.17	C	C	.	.	H	α-helix	trans	-57.3	-44.6	176.7	-58.8	0	0	0	0	111.7	Y354 L363 L484 R485 Y490 M491 T492	Y354-T488 HydrophobicContact CE2-CG2 4.19Å; Y354-T488 WeakPolarHBondContact CE2-OG1 3.31Å; Y354-T488 PolarHBondContact OH-OG1 3.3Å; L363-T488 WeakPolarHBondContact CD2-OG1 3.44Å; L484-T488 WeakPolarHBondContact O-CB 3.46Å; L484-T488 PolarHBondContact O-N 3.23Å; L484-T488 PolarHBondContact O-OG1 3.42Å; R485-T488 PolarHBondContact O-N 2.95Å; T488-Y490 PolarHBondContact O-N 3.12Å; T488-M491 PolarHBondContact O-N 2.86Å; T488-M491 VanDerWaalsContact O-N 3.16Å; T488-T492 PolarHBondContact O-N 3.44Å; T488-T492 VanDerWaalsContact O-N 3.11Å; T488-T492 PolarHBondContact O-OG1 3.4Å
489	R	97	Very high	97.4	Very high	139 Å²	139	37.5 Å²	37.5	53%	0.525	18%	0.182	S	C	.	.	H	α-helix	trans	-68.4	-17.9	176.5	-74.2	179.7	178.5	-175.5	0.1	114.6	K180 R485 A486 I487	K180-R489 HydrophobicContact CB-CB 4.35Å; R485-R489 WeakPolarHBondContact O-CB 3.36Å; R485-R489 WeakPolarHBondContact O-CG 3.48Å; R485-R489 PolarHBondContact O-N 3.22Å; A486-R489 PolarHBondContact O-N 3.01Å; I487-R489 VanDerWaalsContact C-N 3.31Å; I487-R489 PolarHBondContact O-N 3.08Å
490	Y	97	Very high	97.3	Very high	74 Å²	74	40.4 Å²	40.4	29%	0.29	20%	0.196	S	C	.	.	H	α-helix	trans	-83.1	-35.9	170.7	169.1	-89.8	0	0	0	111.1	I183 E184 L187 L196 A486 I487 T488 T492	I183-Y490 HydrophobicContact CB-CG 4.5Å; I183-Y490 HydrophobicContact CG2-CD1 4.23Å; I183-Y490 HydrophobicContact CG2-CD2 4.46Å; I183-Y490 HydrophobicContact CG2-CG 3.94Å; E184-Y490 HydrophobicContact CB-CD2 3.91Å; E184-Y490 HydrophobicContact CB-CE2 3.83Å; E184-Y490 HydrophobicContact CG-CE2 4.03Å; L187-Y490 HydrophobicContact CD1-CD1 3.54Å; L187-Y490 HydrophobicContact CD1-CE1 3.12Å; L187-Y490 HydrophobicContact CD1-CE2 4.17Å; L187-Y490 HydrophobicContact CD1-CG 4.23Å; L187-Y490 VanDerWaalsContact CD1-CZ 3.46Å; L187-Y490 HydrophobicContact CG-CE1 4.46Å; L196-Y490 HydrophobicContact CD2-CD1 4.48Å; A486-Y490 PolarHBondContact O-N 3.43Å; I487-Y490 WeakPolarHBondContact O-CB 3.32Å; I487-Y490 PolarHBondContact O-N 3.34Å; T488-Y490 PolarHBondContact O-N 3.12Å; Y490-T492 VanDerWaalsContact C-N 3.3Å
491	M	95.6	Very high	97.2	Very high	71 Å²	71	43.8 Å²	43.8	35%	0.35	21%	0.212	S	C	.	.	H	α-helix	trans	-77.6	-14.2	-179.3	-64.7	-175.7	74.6	0	0	114	L196 L363 R366 L367 I487 T488	L196-M491 HydrophobicContact CD1-CE 3.78Å; L196-M491 HydrophobicContact CD1-CG 4.18Å; L196-M491 HydrophobicContact CD1-SD 4.05Å; L196-M491 HydrophobicContact CD2-CG 4.35Å; L196-M491 HydrophobicContact CD2-SD 4.38Å; L363-M491 HydrophobicContact CD1-SD 3.89Å; R366-M491 VanDerWaalsContact NH1-CE 3.29Å; R366-M491 PolarHBondContact NH2-SD 2.84Å; L367-M491 HydrophobicContact CD1-SD 4.42Å; I487-M491 HydrophobicContact CG2-CG 4.37Å; I487-M491 HydrophobicContact CG2-SD 4.02Å; I487-M491 WeakPolarHBondContact O-CG 3.14Å; I487-M491 PolarHBondContact O-N 3.49Å; T488-M491 PolarHBondContact O-N 2.86Å; T488-M491 VanDerWaalsContact O-N 3.16Å
492	T	90.5	Very high	97.1	Very high	153 Å²	153	47.6 Å²	47.6	94%	0.939	23%	0.231	S	C	*	.			trans	-113.2	0	179	49.8	0	0	0	0	109.7	T488 Y490	T488-T492 PolarHBondContact O-N 3.44Å; T488-T492 VanDerWaalsContact O-N 3.11Å; T488-T492 PolarHBondContact O-OG1 3.4Å; Y490-T492 VanDerWaalsContact C-N 3.3Å

Retrieved 492 of 492 residues in 152.4 ms (Link to these results)

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