A0A093HGB7_STRCA Loading...

Neprilysin

AlphaFold DB , UniProt , Accession A0A093HGB7, Species STRCA (Struthio camelus australis), Gene n/a, Length 750 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	38.7	Very low	40.2	Very low	255 Å²	255	156 Å²	156	100%	1.256	85%	0.854	S	S	*	*				0	120.8	0	-74.6	169.4	152.5	0	0	106.5
2	G	38.9	Very low	40.4	Very low	84 Å²	84	156.7 Å²	156.7	87%	0.866	85%	0.846	S	S	*	*			cis	-146.4	170.5	4.6	0	0	0	0	0	111.4
3	K	42	Very low	40.7	Very low	202 Å²	202	159.5 Å²	159.5	88%	0.878	85%	0.854	S	S	*	*			trans	-84.3	156.6	-171.2	-65	171.9	167.2	-175.5	0	113.6
4	S	38.4	Very low	40.9	Very low	105 Å²	105	158.1 Å²	158.1	73%	0.734	85%	0.847	S	S	*	*				-168	125.5	110.5	86	0	0	0	0	108.2
5	E	41.4	Very low	41.2	Very low	171 Å²	171	155.7 Å²	155.7	80%	0.799	84%	0.84	S	S	*	*				46.5	136.6	90	-76.4	178	-169.4	0	0	113.7
6	S	41	Very low	41.6	Very low	103 Å²	103	153.8 Å²	153.8	72%	0.72	84%	0.839	S	S	*	*			cis	-174.9	144.2	-14.8	69.8	0	0	0	0	105.1
7	Q	37.8	Very low	42	Very low	191 Å²	191	156 Å²	156	89%	0.893	84%	0.838	S	S	*	*			trans	-166.5	114	145.1	-121.1	173.1	-8	0	0	110.9
8	M	41.5	Very low	42.2	Very low	181 Å²	181	154.1 Å²	154.1	89%	0.892	84%	0.835	S	S	*	*			trans	-71.5	137.7	158.8	-84.2	162.7	36.8	0	0	108.8
9	D	36.8	Very low	42.6	Very low	139 Å²	139	156.6 Å²	156.6	74%	0.743	84%	0.838	S	S	*	*			trans	-151.4	119.8	149.5	-119.2	-8.4	0	0	0	112
10	I	41.4	Very low	42.9	Very low	138 Å²	138	158.8 Å²	158.8	71%	0.708	84%	0.839	S	S	*	*			trans	42.8	107.4	137.7	-54.5	166.5	0	0	0	118	E12	I10-E12 PolarHBondContact O-N 3.35Å
11	T	44.4	Very low	43.3	Very low	147 Å²	147	160.6 Å²	160.6	90%	0.902	84%	0.84	S	S	*	*			trans	-71.7	106.9	163	37.6	0	0	0	0	111.7
12	E	42.5	Very low	44.1	Very low	164 Å²	164	155.1 Å²	155.1	77%	0.766	82%	0.815	S	S	*	*			trans	-87.2	119.9	163.5	-94.4	-171.8	160.6	0	0	111.2	I10 N14	I10-E12 PolarHBondContact O-N 3.35Å; E12-N14 PolarHBondContact O-N 3.34Å
13	M	44	Very low	45.1	Very low	193 Å²	193	162.5 Å²	162.5	95%	0.951	82%	0.817	S	S	*	*			trans	-69.1	106.5	164.9	-77.9	174.1	67.1	0	0	109.6
14	N	43.4	Very low	45.9	Very low	141 Å²	141	159.7 Å²	159.7	75%	0.754	80%	0.801	S	S	*	*			trans	-94.4	115.6	169.6	-101.3	-45.4	0	0	0	111	E12	E12-N14 PolarHBondContact O-N 3.34Å
15	T	45.7	Very low	47.6	Very low	121 Å²	121	157.3 Å²	157.3	74%	0.742	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-52.1	147.2	169.3	29.2	0	0	0	0	113.1	K17	T15-K17 PolarHBondContact O-N 3.24Å
16	P	48.3	Very low	49.2	Very low	125 Å²	125	153.5 Å²	153.5	81%	0.812	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-72.2	122	-174.7	-3.9	19.3	0	0	0	111.5
17	K	47.7	Very low	51	Low	192 Å²	192	155.3 Å²	155.3	84%	0.835	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-63.8	139.5	165.6	-72.7	178.9	178.6	173.9	0	109.6	T15 K19	T15-K17 PolarHBondContact O-N 3.24Å; K17-K19 PolarHBondContact O-N 3.02Å
18	P	45.3	Very low	52.9	Low	121 Å²	121	151 Å²	151	79%	0.786	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-62.8	122.5	173.8	25.9	-31.2	0	0	0	109.1	K20	P18-K20 PolarHBondContact O-N 3.2Å
19	K	50.8	Low	54.8	Low	203 Å²	203	146.6 Å²	146.6	88%	0.883	74%	0.742	S	S	*	*			trans	-55.7	112.1	172.5	-77.7	-178.7	176.4	178.5	0	108.2	K17 K21	K17-K19 PolarHBondContact O-N 3.02Å; K19-K21 PolarHBondContact O-N 3.02Å
20	K	48.1	Very low	57	Low	200 Å²	200	141.6 Å²	141.6	87%	0.87	72%	0.723	S	S	*	*			trans	-52.4	114.7	162.8	-89	-177.4	174.4	179.5	0	106.7	P18 L22	P18-K20 PolarHBondContact O-N 3.2Å; K20-L22 PolarHBondContact O-N 3.01Å
21	K	51.5	Low	59.1	Low	196 Å²	196	140.7 Å²	140.7	85%	0.852	72%	0.719	S	S	*	*			trans	-56.5	112.4	168	-85.9	-176.5	174.7	-179.8	0	106.7	K19 R23	K19-K21 PolarHBondContact O-N 3.02Å; K21-R23 VanDerWaalsContact C-N 3.35Å; K21-R23 PolarHBondContact O-N 2.9Å
22	L	54.8	Low	61	Low	141 Å²	141	135.3 Å²	135.3	74%	0.738	69%	0.69	S	S	*	*			trans	-58.4	101.1	169.9	-140.6	82.6	0	0	0	106.2	K20 W24	K20-L22 PolarHBondContact O-N 3.01Å; L22-W24 HydrophobicContact CD2-CZ2 4.49Å; L22-W24 PolarHBondContact O-N 2.79Å
23	R	59.4	Low	63.1	Low	239 Å²	239	131 Å²	131	90%	0.902	67%	0.674	S	S	*	*			trans	-84.7	94.4	172.5	-94.7	-177.3	154.2	179.1	-5.9	106.1	K21 S25	K21-R23 VanDerWaalsContact C-N 3.35Å; K21-R23 PolarHBondContact O-N 2.9Å; R23-S25 PolarHBondContact O-N 2.84Å
24	W	60	Low	65.4	Low	143 Å²	143	125.7 Å²	125.7	54%	0.542	65%	0.653	S	S	.	*			trans	-57.2	130.6	170.3	-67.7	64.1	0	0	0	108.3	L22 E28 I29 A32	L22-W24 HydrophobicContact CD2-CZ2 4.49Å; L22-W24 PolarHBondContact O-N 2.79Å; W24-E28 HydrophobicContact CE3-CB 3.66Å; W24-E28 HydrophobicContact CZ3-CB 4.27Å; W24-I29 HydrophobicContact CB-CD1 4.03Å; W24-I29 HydrophobicContact CB-CG1 3.59Å; W24-I29 HydrophobicContact CG-CG1 4.48Å; W24-A32 HydrophobicContact CZ3-CB 4.24Å
25	S	74	Confident	67.6	Low	55 Å²	55	122.9 Å²	122.9	39%	0.385	64%	0.64	S	S	.	*			trans	-65.1	154.3	170.3	64.8	0	0	0	0	109.9	R23 L27 E28 I29	R23-S25 PolarHBondContact O-N 2.84Å; S25-L27 PolarHBondContact O-N 3.4Å; S25-L27 VanDerWaalsContact O-N 3.08Å; S25-E28 WeakPolarHBondContact CB-OE2 3.47Å; S25-E28 PolarHBondContact N-OE2 3.08Å; S25-E28 PolarHBondContact O-N 3.31Å; S25-E28 VanDerWaalsContact OG-CD 3.28Å; S25-E28 VanDerWaalsContact OG-CG 3.26Å; S25-E28 WeakPolarHBondContact OG-CG 3.26Å; S25-E28 PolarHBondContact OG-N 3.04Å; S25-E28 PolarHBondContact OG-OE2 3Å; S25-I29 PolarHBondContact O-N 2.96Å; S25-I29 VanDerWaalsContact O-N 3.07Å
26	A	75.6	Confident	69.8	Low	90 Å²	90	121.7 Å²	121.7	74%	0.744	63%	0.628	S	S	*	*	H	α-helix	trans	-55.4	-29.2	177.2	0	0	0	0	0	112.5	G30	A26-G30 PolarHBondContact O-N 3.28Å
27	L	77.9	Confident	71.9	Confident	142 Å²	142	120.4 Å²	120.4	74%	0.743	61%	0.614	S	S	*	*	H	α-helix	trans	-68.7	-45.6	175.6	-163	86.5	0	0	0	112.2	S25 G30 L31	S25-L27 PolarHBondContact O-N 3.4Å; S25-L27 VanDerWaalsContact O-N 3.08Å; L27-G30 PolarHBondContact O-N 3.07Å; L27-L31 WeakPolarHBondContact O-CB 3.24Å; L27-L31 PolarHBondContact O-N 3.49Å
28	E	78	Confident	74	Confident	99 Å²	99	116.7 Å²	116.7	46%	0.463	60%	0.603	S	S	.	*	H	α-helix	trans	-68.4	-35.3	179	-68.3	161.6	142.5	0	0	111.8	W24 S25 A32	W24-E28 HydrophobicContact CE3-CB 3.66Å; W24-E28 HydrophobicContact CZ3-CB 4.27Å; S25-E28 WeakPolarHBondContact CB-OE2 3.47Å; S25-E28 PolarHBondContact N-OE2 3.08Å; S25-E28 PolarHBondContact O-N 3.31Å; S25-E28 VanDerWaalsContact OG-CD 3.28Å; S25-E28 VanDerWaalsContact OG-CG 3.26Å; S25-E28 WeakPolarHBondContact OG-CG 3.26Å; S25-E28 PolarHBondContact OG-N 3.04Å; S25-E28 PolarHBondContact OG-OE2 3Å; E28-A32 VanDerWaalsContact O-CB 3.29Å; E28-A32 WeakPolarHBondContact O-CB 3.47Å; E28-A32 PolarHBondContact O-N 2.96Å
29	I	81.1	Confident	76.2	Confident	90 Å²	90	114.2 Å²	114.2	46%	0.462	59%	0.585	S	S	.	*	H	α-helix	trans	-64.8	-45.7	171.9	-61.3	173	0	0	0	109.9	W24 S25 L31 A32 V33	W24-I29 HydrophobicContact CB-CD1 4.03Å; W24-I29 HydrophobicContact CB-CG1 3.59Å; W24-I29 HydrophobicContact CG-CG1 4.48Å; S25-I29 PolarHBondContact O-N 2.96Å; S25-I29 VanDerWaalsContact O-N 3.07Å; I29-L31 PolarHBondContact O-N 3.01Å; I29-A32 PolarHBondContact O-N 2.92Å; I29-V33 HydrophobicContact CG2-CG2 4.48Å; I29-V33 WeakPolarHBondContact O-CB 3.35Å; I29-V33 VanDerWaalsContact O-CG2 3.24Å; I29-V33 WeakPolarHBondContact O-CG2 3.29Å; I29-V33 PolarHBondContact O-N 3.42Å
30	G	83.1	Confident	78.2	Confident	34 Å²	34	108.8 Å²	108.8	35%	0.351	57%	0.565	S	S	.	*	H	α-helix	trans	-60.2	-44.1	176.5	0	0	0	0	0	112.7	A26 L27 V33 V34	A26-G30 PolarHBondContact O-N 3.28Å; L27-G30 PolarHBondContact O-N 3.07Å; G30-V33 PolarHBondContact O-N 3.39Å; G30-V34 WeakPolarHBondContact O-CG2 3.5Å; G30-V34 PolarHBondContact O-N 2.86Å
31	L	85.2	Confident	80.3	Confident	119 Å²	119	103.4 Å²	103.4	62%	0.623	55%	0.549	S	S	*	.	H	α-helix	trans	-66.1	-42.8	178.4	-147.2	96.5	0	0	0	111.7	L27 I29 V33 V34 V35	L27-L31 WeakPolarHBondContact O-CB 3.24Å; L27-L31 PolarHBondContact O-N 3.49Å; I29-L31 PolarHBondContact O-N 3.01Å; L31-V33 VanDerWaalsContact C-N 3.34Å; L31-V33 PolarHBondContact O-N 3.36Å; L31-V34 PolarHBondContact O-N 3.28Å; L31-V35 WeakPolarHBondContact O-CG2 3.38Å; L31-V35 PolarHBondContact O-N 2.91Å
32	A	83.9	Confident	82.3	Confident	34 Å²	34	96.3 Å²	96.3	28%	0.281	53%	0.527	S	S	.	.	H	α-helix	trans	-62.1	-40.8	175.9	0	0	0	0	0	111.8	W24 E28 I29 V35 I36	W24-A32 HydrophobicContact CZ3-CB 4.24Å; E28-A32 VanDerWaalsContact O-CB 3.29Å; E28-A32 WeakPolarHBondContact O-CB 3.47Å; E28-A32 PolarHBondContact O-N 2.96Å; I29-A32 PolarHBondContact O-N 2.92Å; A32-V35 PolarHBondContact O-N 2.91Å; A32-I36 WeakPolarHBondContact O-CB 3.43Å; A32-I36 WeakPolarHBondContact O-CD1 3.34Å; A32-I36 WeakPolarHBondContact O-CG1 3.48Å; A32-I36 PolarHBondContact O-N 3.25Å
33	V	88.3	Confident	83.9	Confident	73 Å²	73	94.5 Å²	94.5	44%	0.442	52%	0.517	S	S	.	.	H	α-helix	trans	-63.8	-42.1	175.5	170	0	0	0	0	111.5	I29 G30 L31 I36 L37	I29-V33 HydrophobicContact CG2-CG2 4.48Å; I29-V33 WeakPolarHBondContact O-CB 3.35Å; I29-V33 VanDerWaalsContact O-CG2 3.24Å; I29-V33 WeakPolarHBondContact O-CG2 3.29Å; I29-V33 PolarHBondContact O-N 3.42Å; G30-V33 PolarHBondContact O-N 3.39Å; L31-V33 VanDerWaalsContact C-N 3.34Å; L31-V33 PolarHBondContact O-N 3.36Å; V33-I36 PolarHBondContact O-N 2.87Å; V33-L37 HydrophobicContact CG1-CD1 3.94Å; V33-L37 WeakPolarHBondContact O-CB 3.16Å; V33-L37 WeakPolarHBondContact O-CG 3.25Å; V33-L37 PolarHBondContact O-N 3.29Å
34	V	90.6	Very high	85.3	Confident	82 Å²	82	86.5 Å²	86.5	50%	0.497	50%	0.495	S	S	.	.	H	α-helix	trans	-64.6	-44.6	176.5	170.6	0	0	0	0	111.4	G30 L31 I36 L37 L38	G30-V34 WeakPolarHBondContact O-CG2 3.5Å; G30-V34 PolarHBondContact O-N 2.86Å; L31-V34 PolarHBondContact O-N 3.28Å; V34-I36 VanDerWaalsContact C-N 3.34Å; V34-I36 PolarHBondContact O-N 3.47Å; V34-L37 PolarHBondContact O-N 3.4Å; V34-L38 HydrophobicContact CG1-CD1 3.95Å; V34-L38 HydrophobicContact CG1-CG 4.44Å; V34-L38 WeakPolarHBondContact O-CB 3.35Å; V34-L38 WeakPolarHBondContact O-CG 3.28Å; V34-L38 PolarHBondContact O-N 2.9Å
35	V	91.6	Very high	86.6	Confident	81 Å²	81	85.8 Å²	85.8	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-61.6	-44.4	176.4	171.2	0	0	0	0	110.6	L31 A32 L37 L38 T39	L31-V35 WeakPolarHBondContact O-CG2 3.38Å; L31-V35 PolarHBondContact O-N 2.91Å; A32-V35 PolarHBondContact O-N 2.91Å; V35-L37 PolarHBondContact O-N 3.32Å; V35-L38 PolarHBondContact O-N 3.49Å; V35-T39 PolarHBondContact O-N 3.28Å; V35-T39 PolarHBondContact O-OG1 3.49Å
36	I	91.6	Very high	87.2	Confident	97 Å²	97	88.7 Å²	88.7	50%	0.497	51%	0.509	S	S	.	.	H	α-helix	trans	-59.7	-47.4	176.5	-71.7	165.3	0	0	0	110.8	A32 V33 V34 L38 T39 I40	A32-I36 WeakPolarHBondContact O-CB 3.43Å; A32-I36 WeakPolarHBondContact O-CD1 3.34Å; A32-I36 WeakPolarHBondContact O-CG1 3.48Å; A32-I36 PolarHBondContact O-N 3.25Å; V33-I36 PolarHBondContact O-N 2.87Å; V34-I36 VanDerWaalsContact C-N 3.34Å; V34-I36 PolarHBondContact O-N 3.47Å; I36-L38 PolarHBondContact O-N 2.77Å; I36-T39 VanDerWaalsContact CA-OG1 3.25Å; I36-T39 WeakPolarHBondContact CA-OG1 3.37Å; I36-T39 PolarHBondContact O-N 3.3Å; I36-T39 PolarHBondContact O-OG1 3.47Å; I36-I40 HydrophobicContact CG2-CD1 3.76Å; I36-I40 HydrophobicContact CG2-CG1 4.43Å; I36-I40 VanDerWaalsContact O-CG1 3.28Å; I36-I40 WeakPolarHBondContact O-CG1 3.41Å; I36-I40 PolarHBondContact O-N 2.9Å
37	L	92.3	Very high	87.6	Confident	98 Å²	98	88.1 Å²	88.1	51%	0.513	50%	0.496	S	S	.	.	H	α-helix	trans	-60.7	-43.7	177.2	-79	165.2	0	0	0	112.1	V33 V34 V35 I40 V41	V33-L37 HydrophobicContact CG1-CD1 3.94Å; V33-L37 WeakPolarHBondContact O-CB 3.16Å; V33-L37 WeakPolarHBondContact O-CG 3.25Å; V33-L37 PolarHBondContact O-N 3.29Å; V34-L37 PolarHBondContact O-N 3.4Å; V35-L37 PolarHBondContact O-N 3.32Å; L37-I40 PolarHBondContact O-N 2.84Å; L37-V41 WeakPolarHBondContact O-CG2 3.34Å; L37-V41 PolarHBondContact O-N 2.88Å
38	L	92.2	Very high	87.9	Confident	113 Å²	113	86.2 Å²	86.2	59%	0.592	49%	0.486	S	S	*	.	H	α-helix	trans	-64.6	-40.5	176.7	-72.6	171.3	0	0	0	111.9	V34 V35 I36 V41 A42	V34-L38 HydrophobicContact CG1-CD1 3.95Å; V34-L38 HydrophobicContact CG1-CG 4.44Å; V34-L38 WeakPolarHBondContact O-CB 3.35Å; V34-L38 WeakPolarHBondContact O-CG 3.28Å; V34-L38 PolarHBondContact O-N 2.9Å; V35-L38 PolarHBondContact O-N 3.49Å; I36-L38 PolarHBondContact O-N 2.77Å; L38-V41 PolarHBondContact O-N 2.89Å; L38-A42 WeakPolarHBondContact O-CB 3.35Å; L38-A42 PolarHBondContact O-N 3.4Å
39	T	90.9	Very high	87.9	Confident	69 Å²	69	91 Å²	91	42%	0.423	50%	0.501	S	S	.	.	H	α-helix	trans	-64.8	-38.8	172.8	36.4	0	0	0	0	112.5	V35 I36 A42 I43	V35-T39 PolarHBondContact O-N 3.28Å; V35-T39 PolarHBondContact O-OG1 3.49Å; I36-T39 VanDerWaalsContact CA-OG1 3.25Å; I36-T39 WeakPolarHBondContact CA-OG1 3.37Å; I36-T39 PolarHBondContact O-N 3.3Å; I36-T39 PolarHBondContact O-OG1 3.47Å; T39-A42 PolarHBondContact O-N 2.89Å; T39-I43 WeakPolarHBondContact O-CB 3.48Å; T39-I43 WeakPolarHBondContact O-CD1 3.46Å; T39-I43 WeakPolarHBondContact O-CG1 3.22Å; T39-I43 PolarHBondContact O-N 3.39Å
40	I	92.6	Very high	87.6	Confident	90 Å²	90	90.5 Å²	90.5	46%	0.462	51%	0.511	S	S	.	.	H	α-helix	trans	-64.3	-43.8	175.7	-69.9	166	0	0	0	110.3	I36 L37 I43 T44	I36-I40 HydrophobicContact CG2-CD1 3.76Å; I36-I40 HydrophobicContact CG2-CG1 4.43Å; I36-I40 VanDerWaalsContact O-CG1 3.28Å; I36-I40 WeakPolarHBondContact O-CG1 3.41Å; I36-I40 PolarHBondContact O-N 2.9Å; L37-I40 PolarHBondContact O-N 2.84Å; I40-I43 PolarHBondContact O-N 2.82Å; I40-T44 VanDerWaalsContact O-CB 3.31Å; I40-T44 WeakPolarHBondContact O-CB 3.34Å; I40-T44 PolarHBondContact O-N 2.62Å; I40-T44 PolarHBondContact O-OG1 3.43Å
41	V	93.1	Very high	87.3	Confident	87 Å²	87	93.6 Å²	93.6	53%	0.527	52%	0.523	S	S	.	.	H	α-helix	trans	-63.5	-44.2	176.6	171.2	0	0	0	0	110.9	L37 L38 T44 M45	L37-V41 WeakPolarHBondContact O-CG2 3.34Å; L37-V41 PolarHBondContact O-N 2.88Å; L38-V41 PolarHBondContact O-N 2.89Å; V41-T44 PolarHBondContact O-N 2.89Å; V41-M45 WeakPolarHBondContact O-CB 3.4Å; V41-M45 WeakPolarHBondContact O-CG 3.4Å; V41-M45 PolarHBondContact O-N 3.36Å
42	A	91.6	Very high	87	Confident	47 Å²	47	95.8 Å²	95.8	39%	0.388	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-45.5	177.2	0	0	0	0	0	111.9	L38 T39 M45 I46	L38-A42 WeakPolarHBondContact O-CB 3.35Å; L38-A42 PolarHBondContact O-N 3.4Å; T39-A42 PolarHBondContact O-N 2.89Å; A42-M45 PolarHBondContact O-N 2.86Å; A42-I46 WeakPolarHBondContact O-CB 3.17Å; A42-I46 WeakPolarHBondContact O-CD1 3.42Å; A42-I46 WeakPolarHBondContact O-CG1 3.46Å; A42-I46 PolarHBondContact O-N 3.34Å
43	I	89.8	Confident	86.9	Confident	103 Å²	103	98.8 Å²	98.8	53%	0.528	54%	0.535	S	S	.	.	H	α-helix	trans	-63.2	-44.6	176.1	-68.9	165.9	0	0	0	110.2	T39 I40 M45 I46 V47	T39-I43 WeakPolarHBondContact O-CB 3.48Å; T39-I43 WeakPolarHBondContact O-CD1 3.46Å; T39-I43 WeakPolarHBondContact O-CG1 3.22Å; T39-I43 PolarHBondContact O-N 3.39Å; I40-I43 PolarHBondContact O-N 2.82Å; I43-M45 VanDerWaalsContact C-N 3.34Å; I43-M45 PolarHBondContact O-N 3.27Å; I43-I46 PolarHBondContact O-N 3.44Å; I43-V47 HydrophobicContact CG2-CG2 4.25Å; I43-V47 WeakPolarHBondContact O-CB 3.24Å; I43-V47 VanDerWaalsContact O-CG2 3.25Å; I43-V47 WeakPolarHBondContact O-CG2 3.43Å; I43-V47 PolarHBondContact O-N 2.82Å
44	T	88.9	Confident	86.8	Confident	71 Å²	71	98.4 Å²	98.4	44%	0.436	53%	0.531	S	S	.	.	H	α-helix	trans	-61.9	-41.4	177.8	-49.5	0	0	0	0	111.5	I40 V41 V47 L48	I40-T44 VanDerWaalsContact O-CB 3.31Å; I40-T44 WeakPolarHBondContact O-CB 3.34Å; I40-T44 PolarHBondContact O-N 2.62Å; I40-T44 PolarHBondContact O-OG1 3.43Å; V41-T44 PolarHBondContact O-N 2.89Å; T44-V47 PolarHBondContact O-N 3.45Å; T44-L48 HydrophobicContact CG2-CD1 4.04Å; T44-L48 HydrophobicContact CG2-CG 4.45Å; T44-L48 VanDerWaalsContact O-CB 3.3Å; T44-L48 WeakPolarHBondContact O-CB 3.31Å; T44-L48 VanDerWaalsContact O-CG 3.24Å; T44-L48 WeakPolarHBondContact O-CG 3.27Å; T44-L48 PolarHBondContact O-N 3.5Å
45	M	87.4	Confident	86.8	Confident	127 Å²	127	95.9 Å²	95.9	63%	0.626	52%	0.522	S	S	*	.	H	α-helix	trans	-66.8	-40.5	175.5	-78.9	-73.4	-118.4	0	0	112.4	V41 A42 I43 L48 Y49	V41-M45 WeakPolarHBondContact O-CB 3.4Å; V41-M45 WeakPolarHBondContact O-CG 3.4Å; V41-M45 PolarHBondContact O-N 3.36Å; A42-M45 PolarHBondContact O-N 2.86Å; I43-M45 VanDerWaalsContact C-N 3.34Å; I43-M45 PolarHBondContact O-N 3.27Å; M45-L48 PolarHBondContact O-N 2.88Å; M45-Y49 VanDerWaalsContact O-CB 3.27Å; M45-Y49 WeakPolarHBondContact O-CB 3.14Å; M45-Y49 PolarHBondContact O-N 3.47Å
46	I	86.2	Confident	87	Confident	117 Å²	117	93.7 Å²	93.7	60%	0.6	51%	0.508	S	S	*	.	H	α-helix	trans	-64.2	-43.7	174.9	-70.3	164.5	0	0	0	110.3	A42 I43 Y49 A50	A42-I46 WeakPolarHBondContact O-CB 3.17Å; A42-I46 WeakPolarHBondContact O-CD1 3.42Å; A42-I46 WeakPolarHBondContact O-CG1 3.46Å; A42-I46 PolarHBondContact O-N 3.34Å; I43-I46 PolarHBondContact O-N 3.44Å; I46-Y49 PolarHBondContact O-N 3.44Å; I46-A50 WeakPolarHBondContact O-CB 3.25Å; I46-A50 PolarHBondContact O-N 2.81Å
47	V	83.7	Confident	87.2	Confident	77 Å²	77	90 Å²	90	47%	0.467	49%	0.49	S	S	.	.	H	α-helix	trans	-63.2	-49.9	176.2	171.1	0	0	0	0	109.9	I43 T44 Y49 A50 T51	I43-V47 HydrophobicContact CG2-CG2 4.25Å; I43-V47 WeakPolarHBondContact O-CB 3.24Å; I43-V47 VanDerWaalsContact O-CG2 3.25Å; I43-V47 WeakPolarHBondContact O-CG2 3.43Å; I43-V47 PolarHBondContact O-N 2.82Å; T44-V47 PolarHBondContact O-N 3.45Å; V47-Y49 VanDerWaalsContact C-N 3.31Å; V47-Y49 PolarHBondContact O-N 3.45Å; V47-A50 PolarHBondContact O-N 3.02Å; V47-T51 HydrophobicContact CG1-CG2 4.24Å; V47-T51 WeakPolarHBondContact O-CB 3.3Å; V47-T51 WeakPolarHBondContact O-CG2 3.31Å; V47-T51 PolarHBondContact O-N 3.47Å; V47-T51 PolarHBondContact O-OG1 2.81Å
48	L	83.5	Confident	87.3	Confident	103 Å²	103	91.6 Å²	91.6	54%	0.539	49%	0.493	S	S	.	.	H	α-helix	trans	-56.6	-44.1	177.3	-78.8	167.1	0	0	0	112	T44 M45 T51 Y52	T44-L48 HydrophobicContact CG2-CD1 4.04Å; T44-L48 HydrophobicContact CG2-CG 4.45Å; T44-L48 VanDerWaalsContact O-CB 3.3Å; T44-L48 WeakPolarHBondContact O-CB 3.31Å; T44-L48 VanDerWaalsContact O-CG 3.24Å; T44-L48 WeakPolarHBondContact O-CG 3.27Å; T44-L48 PolarHBondContact O-N 3.5Å; M45-L48 PolarHBondContact O-N 2.88Å; L48-T51 PolarHBondContact O-OG1 2.82Å; L48-Y52 VanDerWaalsContact O-CB 3.31Å; L48-Y52 WeakPolarHBondContact O-CB 3.39Å; L48-Y52 PolarHBondContact O-N 3.18Å
49	Y	78.4	Confident	87.5	Confident	199 Å²	199	89.8 Å²	89.8	78%	0.78	49%	0.487	S	S	*	.	H	α-helix	trans	-68.8	-40.6	177.4	-171.6	-96.6	0	0	0	112.3	M45 I46 V47 T51 Y52	M45-Y49 VanDerWaalsContact O-CB 3.27Å; M45-Y49 WeakPolarHBondContact O-CB 3.14Å; M45-Y49 PolarHBondContact O-N 3.47Å; I46-Y49 PolarHBondContact O-N 3.44Å; V47-Y49 VanDerWaalsContact C-N 3.31Å; V47-Y49 PolarHBondContact O-N 3.45Å; Y49-T51 VanDerWaalsContact C-N 3.33Å; Y49-T51 PolarHBondContact O-N 2.86Å; Y49-Y52 PolarHBondContact O-N 3.34Å
50	A	75	Confident	87.7	Confident	80 Å²	80	90 Å²	90	66%	0.661	49%	0.491	S	S	*	.	H	α-helix	trans	-71.5	-26.1	178.3	0	0	0	0	0	113.1	I46 V47	I46-A50 WeakPolarHBondContact O-CB 3.25Å; I46-A50 PolarHBondContact O-N 2.81Å; V47-A50 PolarHBondContact O-N 3.02Å
51	T	76.6	Confident	87.8	Confident	99 Å²	99	88 Å²	88	61%	0.607	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-0.1	176.9	61.5	0	0	0	0	113.7	V47 L48 Y49 D53	V47-T51 HydrophobicContact CG1-CG2 4.24Å; V47-T51 WeakPolarHBondContact O-CB 3.3Å; V47-T51 WeakPolarHBondContact O-CG2 3.31Å; V47-T51 PolarHBondContact O-N 3.47Å; V47-T51 PolarHBondContact O-OG1 2.81Å; L48-T51 PolarHBondContact O-OG1 2.82Å; Y49-T51 VanDerWaalsContact C-N 3.33Å; Y49-T51 PolarHBondContact O-N 2.86Å; T51-D53 PolarHBondContact O-N 3.2Å
52	Y	78.8	Confident	88	Confident	164 Å²	164	84 Å²	84	64%	0.643	46%	0.458	S	S	*	.			trans	-72.8	108.4	179	-176.7	-106.9	0	0	0	110.4	L48 Y49 D54	L48-Y52 VanDerWaalsContact O-CB 3.31Å; L48-Y52 WeakPolarHBondContact O-CB 3.39Å; L48-Y52 PolarHBondContact O-N 3.18Å; Y49-Y52 PolarHBondContact O-N 3.34Å; Y52-D54 HydrophobicContact CD1-CB 4.34Å; Y52-D54 HydrophobicContact CE1-CB 3.81Å
53	D	82.1	Confident	88.3	Confident	98 Å²	98	86 Å²	86	52%	0.524	46%	0.461	S	S	.	.			trans	-92.5	106.4	170.9	-165.8	-1.8	0	0	0	108.6	T51 G55 K673	T51-D53 PolarHBondContact O-N 3.2Å; D53-G55 PolarHBondContact O-N 2.7Å; D53-G55 PolarHBondContact OD1-N 3.12Å; D53-G55 VanDerWaalsContact OD1-N 3.14Å; D53-K673 IonicContact OD1-NZ 2.8Å; D53-K673 PolarHBondContact OD1-NZ 2.77Å; D53-K673 WeakPolarHBondContact OD2-CE 3.12Å; D53-K673 IonicContact OD2-NZ 2.71Å; D53-K673 PolarHBondContact OD2-NZ 2.76Å
54	D	86.9	Confident	88.6	Confident	65 Å²	65	87.3 Å²	87.3	35%	0.348	46%	0.463	S	S	.	.			trans	-75.5	1.5	175.8	55	5.7	0	0	0	112.7	Y52 V56 K58	Y52-D54 HydrophobicContact CD1-CB 4.34Å; Y52-D54 HydrophobicContact CE1-CB 3.81Å; D54-V56 PolarHBondContact O-N 3.14Å; D54-V56 PolarHBondContact OD1-N 3.47Å; D54-K58 WeakPolarHBondContact OD1-CE 3.17Å; D54-K58 IonicContact OD1-NZ 3.12Å; D54-K58 PolarHBondContact OD1-NZ 3.24Å; D54-K58 VanDerWaalsContact OD1-NZ 3.12Å; D54-K58 WeakPolarHBondContact OD2-CE 3.39Å; D54-K58 IonicContact OD2-NZ 2.7Å; D54-K58 PolarHBondContact OD2-NZ 2.71Å
55	G	90.6	Very high	89	Confident	29 Å²	29	84.4 Å²	84.4	30%	0.299	45%	0.445	S	S	.	.	S	Bend	trans	73	10.8	-179.1	0	0	0	0	0	113.5	D53 K673 L674	D53-G55 PolarHBondContact O-N 2.7Å; D53-G55 PolarHBondContact OD1-N 3.12Å; D53-G55 VanDerWaalsContact OD1-N 3.14Å; G55-K673 CarbonylContact O-C 3.59Å; G55-K673 WeakPolarHBondContact O-CA 3.39Å; G55-K673 WeakPolarHBondContact O-CB 3.37Å; G55-L674 PolarHBondContact O-N 3.28Å
56	V	94.9	Very high	89.6	Confident	35 Å²	35	78.5 Å²	78.5	21%	0.212	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-103.3	134.4	-178.4	-178.6	0	0	0	0	110.4	D54 K58 L674 P676	D54-V56 PolarHBondContact O-N 3.14Å; D54-V56 PolarHBondContact OD1-N 3.47Å; V56-K58 PolarHBondContact O-N 3.28Å; V56-L674 CarbonylContact C-O 3.58Å; V56-L674 WeakPolarHBondContact CA-O 3.28Å; V56-P676 HydrophobicContact CG1-CB 3.73Å; V56-P676 HydrophobicContact CG1-CG 4.5Å
57	C	95.4	Very high	90.1	Very high	18 Å²	18	74.9 Å²	74.9	12%	0.122	40%	0.404	C	S	.	.			trans	-74.6	122.9	175.7	-174.2	0	0	0	0	111.1	T59 C62 K673 L674 P676	C57-T59 PolarHBondContact SG-OG1 3.32Å; C57-T59 VanDerWaalsContact SG-OG1 3.36Å; C57-C62 HydrophobicContact CB-CB 3.62Å; C57-C62 WeakPolarHBondContact CB-SG 3.42Å; C57-C62 WeakPolarHBondContact SG-CB 3.4Å; C57-C62 CovalentContact SG-SG 2.03Å; C57-C62 PolarHBondContact SG-SG 2.8Å; C57-K673 HydrophobicContact CB-CB 4.06Å; C57-L674 PolarHBondContact N-O 2.89Å; C57-P676 WeakPolarHBondContact O-CD 3.34Å
58	K	94.9	Very high	90.8	Very high	133 Å²	133	73.4 Å²	73.4	58%	0.578	39%	0.39	S	S	*	.			trans	-113.6	12.7	-178.1	-62.8	169.6	-173.3	166.9	0	113.2	D54 V56	D54-K58 WeakPolarHBondContact OD1-CE 3.17Å; D54-K58 IonicContact OD1-NZ 3.12Å; D54-K58 PolarHBondContact OD1-NZ 3.24Å; D54-K58 VanDerWaalsContact OD1-NZ 3.12Å; D54-K58 WeakPolarHBondContact OD2-CE 3.39Å; D54-K58 IonicContact OD2-NZ 2.7Å; D54-K58 PolarHBondContact OD2-NZ 2.71Å; V56-K58 PolarHBondContact O-N 3.28Å
59	T	95.6	Very high	91.5	Very high	74 Å²	74	68.5 Å²	68.5	45%	0.454	37%	0.365	S	S	.	.	S	Bend	trans	-68.4	155.2	175.6	67.1	0	0	0	0	110.2	C57 D61 C62 I63	C57-T59 PolarHBondContact SG-OG1 3.32Å; C57-T59 VanDerWaalsContact SG-OG1 3.36Å; T59-D61 PolarHBondContact O-N 2.8Å; T59-C62 PolarHBondContact O-N 2.95Å; T59-C62 WeakPolarHBondContact OG1-CB 3.32Å; T59-C62 PolarHBondContact OG1-N 3.25Å; T59-C62 PolarHBondContact OG1-SG 3.33Å; T59-C62 VanDerWaalsContact OG1-SG 3.33Å; T59-I63 WeakPolarHBondContact O-CG1 3.15Å; T59-I63 PolarHBondContact O-N 3.39Å; T59-I63 VanDerWaalsContact O-N 3.1Å
60	S	96.2	Very high	92.5	Very high	74 Å²	74	62.6 Å²	62.6	52%	0.517	35%	0.346	S	S	.	.	H	α-helix	trans	-56	-39.3	178.6	-175.5	0	0	0	0	111.9	I63 K64	S60-I63 PolarHBondContact O-N 3.1Å; S60-K64 WeakPolarHBondContact O-CG 3.47Å; S60-K64 PolarHBondContact O-N 3.44Å; S60-K64 WeakPolarHBondContact OG-CE 3.02Å
61	D	94.3	Very high	93.6	Very high	47 Å²	47	64.2 Å²	64.2	25%	0.251	34%	0.34	S	S	.	.	H	α-helix	trans	-73	-36.9	-177.5	-59.5	-39.6	0	0	0	112.6	T59 I63 K64 S65 T568	T59-D61 PolarHBondContact O-N 2.8Å; D61-I63 VanDerWaalsContact C-N 3.31Å; D61-I63 PolarHBondContact O-N 2.61Å; D61-K64 PolarHBondContact O-N 3.33Å; D61-K64 IonicContact OD1-NZ 3.39Å; D61-K64 PolarHBondContact OD1-NZ 2.03Å; D61-S65 WeakPolarHBondContact O-CB 3.48Å; D61-S65 PolarHBondContact O-N 3.29Å; D61-S65 PolarHBondContact O-OG 3.36Å; D61-T568 WeakPolarHBondContact CB-OG1 3.4Å; D61-T568 WeakPolarHBondContact OD2-CB 3.33Å; D61-T568 PolarHBondContact OD2-OG1 3.26Å
62	C	96.8	Very high	94.6	Very high	5 Å²	5	60 Å²	60	3%	0.034	31%	0.313	C	S	.	.	H	α-helix	trans	-60.8	-41.3	170.4	-75.1	0	0	0	0	111.9	C57 T59 A66 L675	C57-C62 HydrophobicContact CB-CB 3.62Å; C57-C62 WeakPolarHBondContact CB-SG 3.42Å; C57-C62 WeakPolarHBondContact SG-CB 3.4Å; C57-C62 CovalentContact SG-SG 2.03Å; C57-C62 PolarHBondContact SG-SG 2.8Å; T59-C62 PolarHBondContact O-N 2.95Å; T59-C62 WeakPolarHBondContact OG1-CB 3.32Å; T59-C62 PolarHBondContact OG1-N 3.25Å; T59-C62 PolarHBondContact OG1-SG 3.33Å; T59-C62 VanDerWaalsContact OG1-SG 3.33Å; C62-A66 VanDerWaalsContact O-CB 3.27Å; C62-A66 WeakPolarHBondContact O-CB 3Å; C62-A66 PolarHBondContact O-N 2.92Å; C62-L675 HydrophobicContact CB-CD2 3.81Å
63	I	97.6	Very high	95.5	Very high	89 Å²	89	53 Å²	53	46%	0.456	29%	0.287	S	S	.	.	H	α-helix	trans	-66.4	-44.3	178.5	-65.3	165.7	0	0	0	110.8	T59 S60 D61 A66 A67 P676	T59-I63 WeakPolarHBondContact O-CG1 3.15Å; T59-I63 PolarHBondContact O-N 3.39Å; T59-I63 VanDerWaalsContact O-N 3.1Å; S60-I63 PolarHBondContact O-N 3.1Å; D61-I63 VanDerWaalsContact C-N 3.31Å; D61-I63 PolarHBondContact O-N 2.61Å; I63-A66 PolarHBondContact O-N 3.04Å; I63-A67 WeakPolarHBondContact O-CB 3.33Å; I63-A67 PolarHBondContact O-N 2.89Å; I63-P676 HydrophobicContact CG1-CG 4.11Å
64	K	97.6	Very high	96.3	Very high	129 Å²	129	49.9 Å²	49.9	56%	0.561	27%	0.27	S	S	*	.	H	α-helix	trans	-60.4	-46.9	176.3	-71.7	170.4	-170.8	166	0	111.6	S60 D61 A67 R68	S60-K64 WeakPolarHBondContact O-CG 3.47Å; S60-K64 PolarHBondContact O-N 3.44Å; S60-K64 WeakPolarHBondContact OG-CE 3.02Å; D61-K64 PolarHBondContact O-N 3.33Å; D61-K64 IonicContact OD1-NZ 3.39Å; D61-K64 PolarHBondContact OD1-NZ 2.03Å; K64-A67 PolarHBondContact O-N 3.46Å; K64-R68 WeakPolarHBondContact O-CB 3.49Å; K64-R68 PolarHBondContact O-N 3.34Å; K64-R68 VanDerWaalsContact O-N 3.07Å
65	S	97.7	Very high	96.8	Very high	10 Å²	10	51.9 Å²	51.9	7%	0.07	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-44.8	177.7	-65.7	0	0	0	0	111.7	D61 R68 I69	D61-S65 WeakPolarHBondContact O-CB 3.48Å; D61-S65 PolarHBondContact O-N 3.29Å; D61-S65 PolarHBondContact O-OG 3.36Å; S65-R68 PolarHBondContact O-N 2.98Å; S65-I69 WeakPolarHBondContact O-CB 3.49Å; S65-I69 WeakPolarHBondContact O-CD1 3.27Å; S65-I69 WeakPolarHBondContact O-CG1 3.5Å; S65-I69 PolarHBondContact O-N 3.18Å
66	A	98.2	Very high	97.1	Very high	3 Å²	3	56.5 Å²	56.5	3%	0.025	31%	0.308	C	S	.	.	H	α-helix	trans	-61.9	-46.5	177.5	0	0	0	0	0	112.1	C62 I63 R68 I69 I70 L675 P676 L678	C62-A66 VanDerWaalsContact O-CB 3.27Å; C62-A66 WeakPolarHBondContact O-CB 3Å; C62-A66 PolarHBondContact O-N 2.92Å; I63-A66 PolarHBondContact O-N 3.04Å; A66-R68 PolarHBondContact O-N 3.37Å; A66-I69 PolarHBondContact O-N 2.91Å; A66-I70 WeakPolarHBondContact O-CB 3.47Å; A66-I70 VanDerWaalsContact O-CG1 3.24Å; A66-I70 WeakPolarHBondContact O-CG1 3.38Å; A66-I70 PolarHBondContact O-N 2.89Å; A66-L675 HydrophobicContact CB-CB 4.24Å; A66-P676 HydrophobicContact CB-CG 4.15Å; A66-P676 WeakPolarHBondContact CB-O 3.28Å; A66-L678 HydrophobicContact CB-CD1 4.17Å
67	A	98.1	Very high	97.2	Very high	41 Å²	41	55.8 Å²	55.8	34%	0.339	31%	0.305	S	S	.	.	H	α-helix	trans	-57.9	-49.4	178.1	0	0	0	0	0	111.6	I63 K64 I69 I70 E71	I63-A67 WeakPolarHBondContact O-CB 3.33Å; I63-A67 PolarHBondContact O-N 2.89Å; K64-A67 PolarHBondContact O-N 3.46Å; A67-I69 VanDerWaalsContact C-N 3.31Å; A67-I69 PolarHBondContact O-N 3.47Å; A67-I70 PolarHBondContact O-N 2.85Å; A67-E71 WeakPolarHBondContact O-CB 3.26Å; A67-E71 VanDerWaalsContact O-CG 3.29Å; A67-E71 WeakPolarHBondContact O-CG 3.18Å; A67-E71 PolarHBondContact O-N 3.17Å
68	R	97.9	Very high	97.3	Very high	47 Å²	47	58.8 Å²	58.8	18%	0.177	32%	0.318	C	S	.	.	H	α-helix	trans	-57.7	-43.3	176.2	-174.2	-149.4	69.4	-155.7	3.2	112	K64 S65 A66 N72 N689	K64-R68 WeakPolarHBondContact O-CB 3.49Å; K64-R68 PolarHBondContact O-N 3.34Å; K64-R68 VanDerWaalsContact O-N 3.07Å; S65-R68 PolarHBondContact O-N 2.98Å; A66-R68 PolarHBondContact O-N 3.37Å; R68-N72 WeakPolarHBondContact O-CB 3.35Å; R68-N72 VanDerWaalsContact O-CG 3.31Å; R68-N72 PolarHBondContact O-N 3.39Å; R68-N72 VanDerWaalsContact O-N 3.07Å; R68-N72 PolarHBondContact O-ND2 2.91Å; R68-N689 PolarHBondContact NH2-OD1 2.94Å
69	I	98.5	Very high	97.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.7	-51.6	179.4	-71.5	166.2	0	0	0	110.9	S65 A66 A67 E71 N72 M73 L573 L675 L678 L685 L688 Q692	S65-I69 WeakPolarHBondContact O-CB 3.49Å; S65-I69 WeakPolarHBondContact O-CD1 3.27Å; S65-I69 WeakPolarHBondContact O-CG1 3.5Å; S65-I69 PolarHBondContact O-N 3.18Å; A66-I69 PolarHBondContact O-N 2.91Å; A67-I69 VanDerWaalsContact C-N 3.31Å; A67-I69 PolarHBondContact O-N 3.47Å; I69-E71 VanDerWaalsContact C-N 3.31Å; I69-E71 PolarHBondContact O-N 3.11Å; I69-N72 PolarHBondContact O-N 2.86Å; I69-M73 HydrophobicContact CG2-SD 4.47Å; I69-M73 WeakPolarHBondContact O-CG 3.33Å; I69-M73 PolarHBondContact O-N 3.36Å; I69-M73 VanDerWaalsContact O-N 3.16Å; I69-L573 HydrophobicContact CD1-CD1 4.26Å; I69-L573 HydrophobicContact CD1-CD2 3.77Å; I69-L675 HydrophobicContact CD1-CD1 3.93Å; I69-L678 HydrophobicContact CB-CD1 4.15Å; I69-L678 HydrophobicContact CD1-CD1 4.36Å; I69-L678 HydrophobicContact CG2-CD1 3.84Å; I69-L678 HydrophobicContact CG2-CD2 4.03Å; I69-L685 HydrophobicContact CD1-CD2 4.41Å; I69-L688 HydrophobicContact CG2-CD2 3.31Å; I69-L688 HydrophobicContact CG2-CG 4.09Å; I69-Q692 PolarHBondContact O-NE2 2.85Å
70	I	98.4	Very high	97.6	Very high	75 Å²	75	50.6 Å²	50.6	39%	0.385	28%	0.279	S	S	.	.	H	α-helix	trans	-60.6	-42.8	-179.3	-67.7	164.6	0	0	0	110.6	A66 A67 M73 G677 L678	A66-I70 WeakPolarHBondContact O-CB 3.47Å; A66-I70 VanDerWaalsContact O-CG1 3.24Å; A66-I70 WeakPolarHBondContact O-CG1 3.38Å; A66-I70 PolarHBondContact O-N 2.89Å; A67-I70 PolarHBondContact O-N 2.85Å; I70-M73 WeakPolarHBondContact O-CG 3.3Å; I70-G677 WeakPolarHBondContact CD1-O 3.49Å; I70-L678 HydrophobicContact CD1-CD2 4.38Å; I70-L678 HydrophobicContact CD1-CG 4.1Å; I70-L678 HydrophobicContact CG1-CD1 4.34Å; I70-L678 HydrophobicContact CG1-CD2 3.59Å; I70-L678 HydrophobicContact CG1-CG 3.8Å
71	E	98.1	Very high	97.7	Very high	113 Å²	113	53 Å²	53	53%	0.528	28%	0.28	S	S	.	.	H	α-helix	trans	-61.7	-48.5	177.7	-76.4	176.4	-170.6	0	0	110.4	A67 I69 M73 R94	A67-E71 WeakPolarHBondContact O-CB 3.26Å; A67-E71 VanDerWaalsContact O-CG 3.29Å; A67-E71 WeakPolarHBondContact O-CG 3.18Å; A67-E71 PolarHBondContact O-N 3.17Å; I69-E71 VanDerWaalsContact C-N 3.31Å; I69-E71 PolarHBondContact O-N 3.11Å; E71-M73 PolarHBondContact O-N 3.22Å; E71-R94 PolarHBondContact O-NH1 2.67Å; E71-R94 PolarHBondContact O-NH2 3.48Å
72	N	98.5	Very high	97.9	Very high	11 Å²	11	52.9 Å²	52.9	6%	0.059	28%	0.279	C	S	.	.	H	α-helix	trans	-71.2	-29.3	-172.2	-72.8	-14.4	0	0	0	114.3	R68 I69 A87 C88 G89 G90 W91 R94 Q692	R68-N72 WeakPolarHBondContact O-CB 3.35Å; R68-N72 VanDerWaalsContact O-CG 3.31Å; R68-N72 PolarHBondContact O-N 3.39Å; R68-N72 VanDerWaalsContact O-N 3.07Å; R68-N72 PolarHBondContact O-ND2 2.91Å; I69-N72 PolarHBondContact O-N 2.86Å; N72-A87 CarbonylContact C-O 2.96Å; N72-C88 CarbonylContact O-C 3.52Å; N72-C88 VanDerWaalsContact O-CA 3.29Å; N72-C88 WeakPolarHBondContact O-CA 3.48Å; N72-G89 PolarHBondContact O-N 3.03Å; N72-G90 WeakPolarHBondContact O-CA 3.49Å; N72-G90 PolarHBondContact O-N 3.45Å; N72-W91 HydrophobicContact CB-CB 4.18Å; N72-W91 PolarHBondContact O-N 3.19Å; N72-R94 PolarHBondContact OD1-NH2 2.89Å; N72-Q692 HydrophobicContact CB-CG 4.34Å
73	M	97.9	Very high	98	Very high	16 Å²	16	52.6 Å²	52.6	8%	0.079	28%	0.278	C	S	.	.			trans	-78	158.8	-176.9	70.6	-177.1	-53.9	0	0	113.9	I69 I70 E71 T75 Y86 A87 L678 M680 L688	I69-M73 HydrophobicContact CG2-SD 4.47Å; I69-M73 WeakPolarHBondContact O-CG 3.33Å; I69-M73 PolarHBondContact O-N 3.36Å; I69-M73 VanDerWaalsContact O-N 3.16Å; I70-M73 WeakPolarHBondContact O-CG 3.3Å; E71-M73 PolarHBondContact O-N 3.22Å; M73-T75 HydrophobicContact CE-CG2 3.63Å; M73-T75 HydrophobicContact CG-CG2 4.29Å; M73-T75 HydrophobicContact SD-CG2 4.08Å; M73-Y86 CarbonylContact C-O 3.48Å; M73-Y86 WeakPolarHBondContact CA-O 3.42Å; M73-Y86 VanDerWaalsContact CB-O 3.24Å; M73-Y86 WeakPolarHBondContact CB-O 3.28Å; M73-Y86 HydrophobicContact CE-CE1 3.85Å; M73-Y86 HydrophobicContact CE-CE2 3.73Å; M73-Y86 VanDerWaalsContact CE-OH 3.23Å; M73-Y86 WeakPolarHBondContact CE-OH 3.5Å; M73-A87 WeakPolarHBondContact CA-O 3.36Å; M73-A87 PolarHBondContact N-O 3.35Å; M73-L678 HydrophobicContact SD-CD2 4.03Å; M73-M680 HydrophobicContact CE-SD 4.35Å; M73-L688 HydrophobicContact SD-CD2 4.48Å
74	D	98.4	Very high	98	Very high	34 Å²	34	49 Å²	49	18%	0.182	26%	0.258	C	S	.	.			trans	-120.6	98.2	169.6	174.5	10	0	0	0	109	T76 A77 Q85 Y86	D74-T76 PolarHBondContact O-N 3.18Å; D74-T76 VanDerWaalsContact O-N 3.16Å; D74-T76 WeakPolarHBondContact OD1-CB 3.45Å; D74-T76 PolarHBondContact OD1-N 2.73Å; D74-T76 PolarHBondContact OD1-OG1 2.95Å; D74-T76 PolarHBondContact OD2-OG1 3.2Å; D74-A77 PolarHBondContact O-N 2.91Å; D74-Q85 PolarHBondContact OD2-NE2 2.75Å; D74-Y86 PolarHBondContact N-O 3.14Å; D74-Y86 WeakPolarHBondContact O-CD2 3.4Å
75	T	96.6	Very high	98.1	Very high	107 Å²	107	46 Å²	46	66%	0.656	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-6.7	-178.9	57.5	0	0	0	0	113.6	M73	M73-T75 HydrophobicContact CE-CG2 3.63Å; M73-T75 HydrophobicContact CG-CG2 4.29Å; M73-T75 HydrophobicContact SD-CG2 4.08Å
76	T	97.6	Very high	98.2	Very high	126 Å²	126	46.8 Å²	46.8	77%	0.773	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-19.4	175.1	74.2	0	0	0	0	112.4	D74	D74-T76 PolarHBondContact O-N 3.18Å; D74-T76 VanDerWaalsContact O-N 3.16Å; D74-T76 WeakPolarHBondContact OD1-CB 3.45Å; D74-T76 PolarHBondContact OD1-N 2.73Å; D74-T76 PolarHBondContact OD1-OG1 2.95Å; D74-T76 PolarHBondContact OD2-OG1 3.2Å
77	A	97.8	Very high	98.2	Very high	20 Å²	20	46.6 Å²	46.6	17%	0.165	25%	0.247	C	C	.	.	S	Bend	trans	-82.2	143.6	172.4	0	0	0	0	0	110.8	D74 Q85 Y86	D74-A77 PolarHBondContact O-N 2.91Å; A77-Q85 HydrophobicContact CB-CB 4.26Å; A77-Q85 HydrophobicContact CB-CG 3.69Å; A77-Y86 VanDerWaalsContact O-CD2 3.25Å; A77-Y86 WeakPolarHBondContact O-CD2 3.43Å
78	E	97.4	Very high	98.2	Very high	81 Å²	81	44.7 Å²	44.7	38%	0.379	23%	0.231	S	C	.	.			trans	-86	122.8	178.6	-171.2	-179	154.8	0	0	109.8	C80 K81 D82	E78-C80 PolarHBondContact O-N 3.44Å; E78-C80 VanDerWaalsContact O-N 3.14Å; E78-K81 HydrophobicContact CB-CB 4.19Å; E78-K81 HydrophobicContact CB-CD 4.07Å; E78-K81 HydrophobicContact CB-CG 4.12Å; E78-K81 HydrophobicContact CG-CG 4.36Å; E78-K81 PolarHBondContact O-N 2.97Å; E78-K81 VanDerWaalsContact OE2-CD 3.31Å; E78-K81 WeakPolarHBondContact OE2-CD 3.36Å; E78-K81 WeakPolarHBondContact OE2-CE 3.43Å; E78-K81 IonicContact OE2-NZ 3.45Å; E78-K81 PolarHBondContact OE2-NZ 3Å; E78-D82 PolarHBondContact O-N 3.16Å
79	P	97.9	Very high	98.3	Very high	27 Å²	27	42.6 Å²	42.6	18%	0.175	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.8	-173.5	21.1	-32.4	0	0	0	113.2	K81 F83 Y86 F733	P79-K81 VanDerWaalsContact C-N 3.34Å; P79-F83 HydrophobicContact CB-CD2 3.62Å; P79-F83 HydrophobicContact CB-CE2 3.85Å; P79-F83 WeakPolarHBondContact O-CB 3.38Å; P79-F83 PolarHBondContact O-N 3.17Å; P79-Y86 HydrophobicContact CB-CD1 3.89Å; P79-Y86 HydrophobicContact CB-CD2 4.28Å; P79-Y86 HydrophobicContact CB-CE1 4.16Å; P79-Y86 HydrophobicContact CB-CG 3.93Å; P79-Y86 HydrophobicContact CG-CE2 4.47Å; P79-F733 HydrophobicContact CB-CD1 3.74Å; P79-F733 HydrophobicContact CB-CE1 4.19Å; P79-F733 HydrophobicContact CB-CG 4.4Å; P79-F733 HydrophobicContact CG-CD1 3.87Å
80	C	98.4	Very high	98.3	Very high	7 Å²	7	43.1 Å²	43.1	5%	0.047	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-9.5	177.8	-59.2	0	0	0	0	113.8	E78 C735 N739 Y740 M741	E78-C80 PolarHBondContact O-N 3.44Å; E78-C80 VanDerWaalsContact O-N 3.14Å; C80-C735 VanDerWaalsContact CA-SG 3.59Å; C80-C735 HydrophobicContact CB-CB 3.78Å; C80-C735 WeakPolarHBondContact CB-SG 3.19Å; C80-C735 WeakPolarHBondContact SG-CA 3.42Å; C80-C735 WeakPolarHBondContact SG-CB 3.26Å; C80-C735 CovalentContact SG-SG 2.04Å; C80-C735 PolarHBondContact SG-SG 3.29Å; C80-N739 HydrophobicContact CB-CB 3.89Å; C80-N739 WeakPolarHBondContact O-CB 3.29Å; C80-Y740 PolarHBondContact O-N 3.27Å; C80-M741 WeakPolarHBondContact O-CB 3.21Å; C80-M741 WeakPolarHBondContact O-CG 3.17Å; C80-M741 PolarHBondContact O-N 3.29Å; C80-M741 VanDerWaalsContact O-N 3.09Å
81	K	98.1	Very high	98.3	Very high	125 Å²	125	39.7 Å²	39.7	54%	0.543	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-47.8	176.5	-74.4	-177.2	176.2	144.8	0	112.6	E78 P79 Y740	E78-K81 HydrophobicContact CB-CB 4.19Å; E78-K81 HydrophobicContact CB-CD 4.07Å; E78-K81 HydrophobicContact CB-CG 4.12Å; E78-K81 HydrophobicContact CG-CG 4.36Å; E78-K81 PolarHBondContact O-N 2.97Å; E78-K81 VanDerWaalsContact OE2-CD 3.31Å; E78-K81 WeakPolarHBondContact OE2-CD 3.36Å; E78-K81 WeakPolarHBondContact OE2-CE 3.43Å; E78-K81 IonicContact OE2-NZ 3.45Å; E78-K81 PolarHBondContact OE2-NZ 3Å; P79-K81 VanDerWaalsContact C-N 3.34Å; K81-Y740 VanDerWaalsContact O-CD1 3.25Å; K81-Y740 WeakPolarHBondContact O-CD1 3.29Å
82	D	98.1	Very high	98.3	Very high	44 Å²	44	36.8 Å²	36.8	24%	0.235	20%	0.199	C	C	.	.			trans	-150.4	95.4	175.3	-173.2	-25.6	0	0	0	108.1	E78 Y84 Q85 Y86	E78-D82 PolarHBondContact O-N 3.16Å; D82-Y84 PolarHBondContact O-N 2.9Å; D82-Y84 WeakPolarHBondContact OD1-CB 3.29Å; D82-Y84 PolarHBondContact OD1-N 2.88Å; D82-Q85 HydrophobicContact CB-CB 3.98Å; D82-Q85 PolarHBondContact O-N 3.32Å; D82-Q85 PolarHBondContact OD1-N 3.48Å; D82-Y86 PolarHBondContact O-N 3.18Å
83	F	98.8	Very high	98.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.8	-25.3	-177.7	-162.8	-105.7	0	0	0	112.4	P79 Y86 A87 F687 L688 A691 V719 L723 F729 F733 M741	P79-F83 HydrophobicContact CB-CD2 3.62Å; P79-F83 HydrophobicContact CB-CE2 3.85Å; P79-F83 WeakPolarHBondContact O-CB 3.38Å; P79-F83 PolarHBondContact O-N 3.17Å; F83-Y86 AromaticContact CD2-CD1 3.95Å; F83-Y86 HydrophobicContact CD2-CD1 3.95Å; F83-Y86 AromaticContact CE2-CD1 3.61Å; F83-Y86 HydrophobicContact CE2-CD1 3.61Å; F83-Y86 AromaticContact CE2-CE1 3.98Å; F83-Y86 HydrophobicContact CE2-CE1 3.98Å; F83-Y86 HydrophobicContact CZ-CD1 4.27Å; F83-Y86 PolarHBondContact O-N 3.12Å; F83-A87 HydrophobicContact CE1-CB 4.38Å; F83-A87 VanDerWaalsContact O-CB 3.23Å; F83-A87 WeakPolarHBondContact O-CB 3.41Å; F83-A87 PolarHBondContact O-N 3.3Å; F83-F687 HydrophobicContact CE1-CB 4.37Å; F83-F687 HydrophobicContact CZ-CB 4.3Å; F83-L688 HydrophobicContact CZ-CD1 4.37Å; F83-A691 HydrophobicContact CD1-CB 3.81Å; F83-A691 HydrophobicContact CE1-CB 3.61Å; F83-V719 HydrophobicContact CD1-CG1 4.13Å; F83-L723 HydrophobicContact CB-CD1 4.33Å; F83-L723 HydrophobicContact CD1-CD1 3.2Å; F83-L723 HydrophobicContact CE1-CD1 3.68Å; F83-L723 HydrophobicContact CG-CD1 3.94Å; F83-F729 HydrophobicContact CB-CE2 4.49Å; F83-F729 HydrophobicContact CB-CZ 4.04Å; F83-F729 AromaticContact CD1-CE2 3.97Å; F83-F729 HydrophobicContact CD1-CE2 3.97Å; F83-F729 HydrophobicContact CD1-CZ 4.37Å; F83-F729 AromaticContact CD2-CE2 3.47Å; F83-F729 HydrophobicContact CD2-CE2 3.47Å; F83-F729 VanDerWaalsContact CD2-CE2 3.47Å; F83-F729 AromaticContact CD2-CZ 3.46Å; F83-F729 HydrophobicContact CD2-CZ 3.46Å; F83-F729 VanDerWaalsContact CD2-CZ 3.46Å; F83-F729 AromaticContact CE1-CE2 3.97Å; F83-F729 HydrophobicContact CE1-CE2 3.97Å; F83-F729 AromaticContact CE2-CE2 3.51Å; F83-F729 HydrophobicContact CE2-CE2 3.51Å; F83-F729 AromaticContact CE2-CZ 3.96Å; F83-F729 HydrophobicContact CE2-CZ 3.96Å; F83-F729 AromaticContact CG-CE2 3.7Å; F83-F729 HydrophobicContact CG-CE2 3.7Å; F83-F729 AromaticContact CG-CZ 3.69Å; F83-F729 HydrophobicContact CG-CZ 3.69Å; F83-F729 AromaticContact CZ-CE2 3.75Å; F83-F729 HydrophobicContact CZ-CE2 3.75Å; F83-F733 HydrophobicContact CE2-CD1 4.14Å; F83-F733 HydrophobicContact CE2-CD2 4.21Å; F83-F733 AromaticContact CE2-CE1 3.68Å; F83-F733 HydrophobicContact CE2-CE1 3.68Å; F83-F733 AromaticContact CE2-CE2 3.76Å; F83-F733 HydrophobicContact CE2-CE2 3.76Å; F83-F733 HydrophobicContact CE2-CG 4.39Å; F83-F733 AromaticContact CE2-CZ 3.47Å; F83-F733 HydrophobicContact CE2-CZ 3.47Å; F83-F733 VanDerWaalsContact CE2-CZ 3.47Å; F83-F733 HydrophobicContact CZ-CE1 4.26Å; F83-F733 AromaticContact CZ-CE2 3.82Å; F83-F733 HydrophobicContact CZ-CE2 3.82Å; F83-F733 AromaticContact CZ-CZ 3.6Å; F83-F733 HydrophobicContact CZ-CZ 3.6Å; F83-M741 HydrophobicContact CB-CE 3.74Å; F83-M741 HydrophobicContact CB-CG 4.34Å; F83-M741 HydrophobicContact CB-SD 4.16Å
84	Y	98.8	Very high	98.3	Very high	12 Å²	12	50.7 Å²	50.7	5%	0.047	26%	0.255	C	S	.	.	H	α-helix	trans	-69.7	-45.2	175.8	-173.2	-101.8	0	0	0	110.7	D82 Y86 A87 C88 L92 W694 G696 K716 V719	D82-Y84 PolarHBondContact O-N 2.9Å; D82-Y84 WeakPolarHBondContact OD1-CB 3.29Å; D82-Y84 PolarHBondContact OD1-N 2.88Å; Y84-Y86 VanDerWaalsContact C-N 3.34Å; Y84-Y86 PolarHBondContact O-N 3.49Å; Y84-A87 PolarHBondContact O-N 3.23Å; Y84-C88 HydrophobicContact CE1-CB 4.4Å; Y84-C88 HydrophobicContact CE2-CB 4.34Å; Y84-C88 VanDerWaalsContact O-CB 3.29Å; Y84-C88 WeakPolarHBondContact O-CB 3.45Å; Y84-C88 PolarHBondContact O-N 3.24Å; Y84-L92 HydrophobicContact CD1-CD1 4.49Å; Y84-L92 HydrophobicContact CE1-CD1 3.98Å; Y84-W694 PolarHBondContact OH-O 2.82Å; Y84-G696 PolarHBondContact OH-N 3.11Å; Y84-G696 PolarHBondContact OH-O 3.42Å; Y84-K716 HydrophobicContact CD1-CB 3.88Å; Y84-K716 HydrophobicContact CD1-CD 4.1Å; Y84-K716 HydrophobicContact CD1-CG 3.71Å; Y84-K716 HydrophobicContact CD2-CB 4.25Å; Y84-K716 HydrophobicContact CE1-CB 3.87Å; Y84-K716 HydrophobicContact CE1-CD 4.5Å; Y84-K716 HydrophobicContact CE1-CG 4.18Å; Y84-K716 HydrophobicContact CE2-CB 4.26Å; Y84-K716 HydrophobicContact CG-CB 4.06Å; Y84-K716 HydrophobicContact CG-CG 3.87Å; Y84-V719 HydrophobicContact CD2-CB 4.04Å; Y84-V719 HydrophobicContact CD2-CG1 4.38Å; Y84-V719 HydrophobicContact CD2-CG2 3.97Å; Y84-V719 HydrophobicContact CE2-CG2 4.44Å
85	Q	98.7	Very high	98.3	Very high	68 Å²	68	51.2 Å²	51.2	32%	0.318	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-43.2	173	-178.7	60.3	28.7	0	0	111.2	D74 A77 D82 A87 G89	D74-Q85 PolarHBondContact OD2-NE2 2.75Å; A77-Q85 HydrophobicContact CB-CB 4.26Å; A77-Q85 HydrophobicContact CB-CG 3.69Å; D82-Q85 HydrophobicContact CB-CB 3.98Å; D82-Q85 PolarHBondContact O-N 3.32Å; D82-Q85 PolarHBondContact OD1-N 3.48Å; Q85-A87 PolarHBondContact O-N 3.38Å; Q85-G89 WeakPolarHBondContact O-CA 3.2Å; Q85-G89 PolarHBondContact O-N 2.9Å
86	Y	98.8	Very high	98.3	Very high	25 Å²	25	52 Å²	52	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-45.7	175.4	175.8	-101.7	0	0	0	112.7	M73 D74 A77 P79 D82 F83 Y84 M680 L688 F733	M73-Y86 CarbonylContact C-O 3.48Å; M73-Y86 WeakPolarHBondContact CA-O 3.42Å; M73-Y86 VanDerWaalsContact CB-O 3.24Å; M73-Y86 WeakPolarHBondContact CB-O 3.28Å; M73-Y86 HydrophobicContact CE-CE1 3.85Å; M73-Y86 HydrophobicContact CE-CE2 3.73Å; M73-Y86 VanDerWaalsContact CE-OH 3.23Å; M73-Y86 WeakPolarHBondContact CE-OH 3.5Å; D74-Y86 PolarHBondContact N-O 3.14Å; D74-Y86 WeakPolarHBondContact O-CD2 3.4Å; A77-Y86 VanDerWaalsContact O-CD2 3.25Å; A77-Y86 WeakPolarHBondContact O-CD2 3.43Å; P79-Y86 HydrophobicContact CB-CD1 3.89Å; P79-Y86 HydrophobicContact CB-CD2 4.28Å; P79-Y86 HydrophobicContact CB-CE1 4.16Å; P79-Y86 HydrophobicContact CB-CG 3.93Å; P79-Y86 HydrophobicContact CG-CE2 4.47Å; D82-Y86 PolarHBondContact O-N 3.18Å; F83-Y86 AromaticContact CD2-CD1 3.95Å; F83-Y86 HydrophobicContact CD2-CD1 3.95Å; F83-Y86 AromaticContact CE2-CD1 3.61Å; F83-Y86 HydrophobicContact CE2-CD1 3.61Å; F83-Y86 AromaticContact CE2-CE1 3.98Å; F83-Y86 HydrophobicContact CE2-CE1 3.98Å; F83-Y86 HydrophobicContact CZ-CD1 4.27Å; F83-Y86 PolarHBondContact O-N 3.12Å; Y84-Y86 VanDerWaalsContact C-N 3.34Å; Y84-Y86 PolarHBondContact O-N 3.49Å; Y86-M680 HydrophobicContact CE1-CE 4.02Å; Y86-M680 WeakPolarHBondContact OH-CE 3.38Å; Y86-L688 HydrophobicContact CD1-CD1 4.27Å; Y86-L688 HydrophobicContact CE1-CD1 4.07Å; Y86-F733 HydrophobicContact CE1-CE1 4.12Å
87	A	98.8	Very high	98.4	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-78.2	-31	-175.5	0	0	0	0	0	114.2	N72 M73 F83 Y84 Q85 L688 A691 Q692	N72-A87 CarbonylContact C-O 2.96Å; M73-A87 WeakPolarHBondContact CA-O 3.36Å; M73-A87 PolarHBondContact N-O 3.35Å; F83-A87 HydrophobicContact CE1-CB 4.38Å; F83-A87 VanDerWaalsContact O-CB 3.23Å; F83-A87 WeakPolarHBondContact O-CB 3.41Å; F83-A87 PolarHBondContact O-N 3.3Å; Y84-A87 PolarHBondContact O-N 3.23Å; Q85-A87 PolarHBondContact O-N 3.38Å; A87-L688 HydrophobicContact CB-CD1 3.72Å; A87-A691 HydrophobicContact CB-CB 3.48Å; A87-A691 VanDerWaalsContact CB-CB 3.48Å; A87-Q692 HydrophobicContact CB-CG 4.42Å; A87-Q692 WeakPolarHBondContact O-CG 3.49Å; A87-Q692 PolarHBondContact O-NE2 2.86Å
88	C	98.8	Very high	98.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-123.4	-4.5	-168.8	-62.8	0	0	0	0	114.9	N72 Y84 G90 W91 L92 C695	N72-C88 CarbonylContact O-C 3.52Å; N72-C88 VanDerWaalsContact O-CA 3.29Å; N72-C88 WeakPolarHBondContact O-CA 3.48Å; Y84-C88 HydrophobicContact CE1-CB 4.4Å; Y84-C88 HydrophobicContact CE2-CB 4.34Å; Y84-C88 VanDerWaalsContact O-CB 3.29Å; Y84-C88 WeakPolarHBondContact O-CB 3.45Å; Y84-C88 PolarHBondContact O-N 3.24Å; C88-G90 VanDerWaalsContact C-N 3.28Å; C88-G90 PolarHBondContact O-N 3.33Å; C88-W91 WeakPolarHBondContact O-CA 3.45Å; C88-W91 WeakPolarHBondContact O-CB 3.24Å; C88-W91 PolarHBondContact O-N 3.02Å; C88-L92 HydrophobicContact CB-CD1 4.46Å; C88-L92 WeakPolarHBondContact O-CG 3.36Å; C88-L92 PolarHBondContact O-N 3.45Å; C88-C695 WeakPolarHBondContact CA-SG 3.23Å; C88-C695 HydrophobicContact CB-CB 3.78Å; C88-C695 WeakPolarHBondContact CB-SG 3.2Å; C88-C695 WeakPolarHBondContact SG-CA 3.45Å; C88-C695 WeakPolarHBondContact SG-CB 3.41Å; C88-C695 CovalentContact SG-SG 2.04Å; C88-C695 PolarHBondContact SG-SG 3.01Å
89	G	98.8	Very high	98.4	Very high	4 Å²	4	48.7 Å²	48.7	4%	0.041	24%	0.239	C	C	.	.	H	α-helix	trans	-59.9	-35.5	-174	0	0	0	0	0	113.8	N72 Q85 K93	N72-G89 PolarHBondContact O-N 3.03Å; Q85-G89 WeakPolarHBondContact O-CA 3.2Å; Q85-G89 PolarHBondContact O-N 2.9Å; G89-K93 WeakPolarHBondContact O-CB 3.28Å; G89-K93 PolarHBondContact O-N 3.46Å
90	G	98.7	Very high	98.4	Very high	10 Å²	10	49.7 Å²	49.7	10%	0.103	25%	0.245	C	C	.	.	H	α-helix	trans	-64.8	-43.3	172.1	0	0	0	0	0	112.2	N72 C88 K93 R94	N72-G90 WeakPolarHBondContact O-CA 3.49Å; N72-G90 PolarHBondContact O-N 3.45Å; C88-G90 VanDerWaalsContact C-N 3.28Å; C88-G90 PolarHBondContact O-N 3.33Å; G90-K93 PolarHBondContact O-N 2.91Å; G90-R94 PolarHBondContact O-N 3.36Å; G90-R94 PolarHBondContact O-NH1 2.68Å
91	W	98.6	Very high	98.4	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.015	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-47	175.1	-173.4	99.1	0	0	0	111.4	N72 C88 K93 R94 N95 Y104 N106 I109 C695 G696 T697	N72-W91 HydrophobicContact CB-CB 4.18Å; N72-W91 PolarHBondContact O-N 3.19Å; C88-W91 WeakPolarHBondContact O-CA 3.45Å; C88-W91 WeakPolarHBondContact O-CB 3.24Å; C88-W91 PolarHBondContact O-N 3.02Å; W91-K93 VanDerWaalsContact C-N 3.28Å; W91-K93 PolarHBondContact O-N 3.47Å; W91-R94 PolarHBondContact O-N 3.07Å; W91-N95 HydrophobicContact CD2-CB 4.26Å; W91-N95 HydrophobicContact CE3-CB 4.28Å; W91-N95 HydrophobicContact CH2-CB 3.94Å; W91-N95 HydrophobicContact CZ2-CB 3.98Å; W91-N95 HydrophobicContact CZ3-CB 4.11Å; W91-N95 PolarHBondContact NE1-ND2 3.18Å; W91-N95 WeakPolarHBondContact O-CB 3.45Å; W91-N95 PolarHBondContact O-N 3.32Å; W91-N95 PolarHBondContact O-ND2 3.42Å; W91-Y104 AromaticContact CH2-CD1 3.87Å; W91-Y104 HydrophobicContact CH2-CD1 3.87Å; W91-Y104 HydrophobicContact CH2-CG 4.47Å; W91-Y104 WeakPolarHBondContact CH2-O 3.22Å; W91-Y104 AromaticContact CZ2-CD1 3.8Å; W91-Y104 HydrophobicContact CZ2-CD1 3.8Å; W91-Y104 HydrophobicContact CZ2-CE1 4.27Å; W91-N106 PolarHBondContact NE1-OD1 3.07Å; W91-I109 HydrophobicContact CZ2-CD1 4.07Å; W91-C695 HydrophobicContact CB-CB 4.34Å; W91-C695 HydrophobicContact CD2-CB 4.1Å; W91-C695 HydrophobicContact CE3-CB 4.4Å; W91-C695 HydrophobicContact CG-CB 4.05Å; W91-G696 VanDerWaalsContact CZ3-CA 3.48Å; W91-T697 HydrophobicContact CZ3-CG2 4.31Å
92	L	98.6	Very high	98.4	Very high	52 Å²	52	45.5 Å²	45.5	27%	0.272	23%	0.231	S	C	.	.	H	α-helix	trans	-62.2	-34.5	179.5	-68.6	169	0	0	0	112.3	Y84 C88 T697	Y84-L92 HydrophobicContact CD1-CD1 4.49Å; Y84-L92 HydrophobicContact CE1-CD1 3.98Å; C88-L92 HydrophobicContact CB-CD1 4.46Å; C88-L92 WeakPolarHBondContact O-CG 3.36Å; C88-L92 PolarHBondContact O-N 3.45Å; L92-T697 HydrophobicContact CD2-CG2 4.48Å
93	K	98.2	Very high	98.4	Very high	193 Å²	193	45.3 Å²	45.3	84%	0.839	23%	0.227	S	C	*	.	H	α-helix	trans	-72.6	-32.2	177.7	-174	176.7	-179.5	179.5	0	113.1	G89 G90 W91	G89-K93 WeakPolarHBondContact O-CB 3.28Å; G89-K93 PolarHBondContact O-N 3.46Å; G90-K93 PolarHBondContact O-N 2.91Å; W91-K93 VanDerWaalsContact C-N 3.28Å; W91-K93 PolarHBondContact O-N 3.47Å
94	R	98.1	Very high	98.4	Very high	125 Å²	125	47.1 Å²	47.1	47%	0.472	23%	0.234	S	C	.	.	H	α-helix	trans	-89.3	-28.3	-177.1	-73.3	-167	-58.9	-75.1	-10.3	113.9	E71 N72 G90 W91	E71-R94 PolarHBondContact O-NH1 2.67Å; E71-R94 PolarHBondContact O-NH2 3.48Å; N72-R94 PolarHBondContact OD1-NH2 2.89Å; G90-R94 PolarHBondContact O-N 3.36Å; G90-R94 PolarHBondContact O-NH1 2.68Å; W91-R94 PolarHBondContact O-N 3.07Å
95	N	97.9	Very high	98.3	Very high	45 Å²	45	47 Å²	47	24%	0.241	24%	0.235	C	C	.	.			trans	-101	136.2	-172.2	-68.7	-82.7	0	0	0	111.8	W91 Y104	W91-N95 HydrophobicContact CD2-CB 4.26Å; W91-N95 HydrophobicContact CE3-CB 4.28Å; W91-N95 HydrophobicContact CH2-CB 3.94Å; W91-N95 HydrophobicContact CZ2-CB 3.98Å; W91-N95 HydrophobicContact CZ3-CB 4.11Å; W91-N95 PolarHBondContact NE1-ND2 3.18Å; W91-N95 WeakPolarHBondContact O-CB 3.45Å; W91-N95 PolarHBondContact O-N 3.32Å; W91-N95 PolarHBondContact O-ND2 3.42Å; N95-Y104 HydrophobicContact CB-CD1 4.39Å
96	V	97.9	Very high	98.2	Very high	124 Å²	124	44.5 Å²	44.5	75%	0.752	22%	0.224	S	C	*	.			trans	-115	137.7	168.9	179.6	0	0	0	0	107.1	P98	V96-P98 VanDerWaalsContact O-CD 3.3Å; V96-P98 WeakPolarHBondContact O-CD 3.42Å
97	I	98.5	Very high	98.1	Very high	22 Å²	22	44.3 Å²	44.3	11%	0.113	22%	0.223	C	C	.	.			trans	-59.9	122.5	177.7	-53.9	176.3	0	0	0	108.4	S101 T697 R699	I97-S101 WeakPolarHBondContact CG2-O 3.39Å; I97-T697 HydrophobicContact CD1-CG2 3.87Å; I97-T697 HydrophobicContact CG1-CG2 3.64Å; I97-R699 HydrophobicContact CD1-CG 3.74Å; I97-R699 HydrophobicContact CG2-CG 4.14Å; I97-R699 PolarHBondContact O-NH2 3.29Å; I97-R699 VanDerWaalsContact O-NH2 3.07Å
98	P	98.4	Very high	98.1	Very high	41 Å²	41	45.2 Å²	45.2	27%	0.266	23%	0.229	S	C	.	.			trans	-56.2	152.2	176	-26	34.7	0	0	0	112.3	V96 T100 S101 Y104 R699	V96-P98 VanDerWaalsContact O-CD 3.3Å; V96-P98 WeakPolarHBondContact O-CD 3.42Å; P98-T100 PolarHBondContact O-N 3.1Å; P98-S101 PolarHBondContact O-N 3.03Å; P98-Y104 HydrophobicContact CG-CD2 3.99Å; P98-Y104 HydrophobicContact CG-CE2 3.92Å; P98-Y104 HydrophobicContact CG-CG 4.38Å; P98-R699 PolarHBondContact O-NH2 3.48Å
99	E	98.3	Very high	98	Very high	95 Å²	95	46.8 Å²	46.8	44%	0.444	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.8	-179.1	-72	-54.6	101.9	0	0	114.1	T401 T402 S403 R699	E99-T401 CarbonylContact O-C 3.13Å; E99-T401 WeakPolarHBondContact O-CA 3.47Å; E99-T401 WeakPolarHBondContact O-CB 3.39Å; E99-T402 WeakPolarHBondContact CB-OG1 3.18Å; E99-T402 PolarHBondContact O-N 3.41Å; E99-T402 WeakPolarHBondContact OE2-CB 3.32Å; E99-T402 VanDerWaalsContact OE2-CG2 3.32Å; E99-T402 WeakPolarHBondContact OE2-CG2 3.02Å; E99-T402 PolarHBondContact OE2-OG1 3.46Å; E99-S403 PolarHBondContact O-N 3.03Å; E99-R699 IonicContact OE1-CZ 3.35Å; E99-R699 IonicContact OE1-NH1 3.08Å; E99-R699 IonicContact OE1-NH2 3.71Å; E99-R699 PolarHBondContact OE1-NH2 3.3Å
100	T	97.6	Very high	98	Very high	48 Å²	48	47 Å²	47	29%	0.294	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-4.2	178.7	58.6	0	0	0	0	113.6	P98 E404	P98-T100 PolarHBondContact O-N 3.1Å; T100-E404 WeakPolarHBondContact CG2-O 3.05Å
101	S	98.3	Very high	98	Very high	18 Å²	18	50.5 Å²	50.5	13%	0.126	25%	0.247	C	C	.	.			trans	-116.9	138.1	-172.6	-51.7	0	0	0	0	111.1	I97 P98 R103 T401 R699	I97-S101 WeakPolarHBondContact CG2-O 3.39Å; P98-S101 PolarHBondContact O-N 3.03Å; S101-R103 WeakPolarHBondContact CB-O 3.36Å; S101-T401 VanDerWaalsContact C-CG2 3.44Å; S101-R699 WeakPolarHBondContact O-CD 3.42Å; S101-R699 PolarHBondContact O-NE 3.28Å
102	S	97.8	Very high	97.9	Very high	25 Å²	25	52.3 Å²	52.3	18%	0.175	26%	0.257	C	S	.	.	S	Bend	trans	-90.1	-25.6	178.9	66.3	0	0	0	0	112.5	Y399 R699 Y702	S102-Y399 WeakPolarHBondContact CA-O 3.22Å; S102-Y399 VanDerWaalsContact CB-O 3.22Å; S102-Y399 WeakPolarHBondContact CB-O 3.37Å; S102-R699 PolarHBondContact O-N 3.34Å; S102-Y702 VanDerWaalsContact CB-CG 3.48Å; S102-Y702 WeakPolarHBondContact O-CD1 3.32Å; S102-Y702 WeakPolarHBondContact OG-CD1 3.4Å
103	R	98.2	Very high	97.9	Very high	40 Å²	40	54.8 Å²	54.8	15%	0.151	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	152.2	169.3	179.2	-171.1	67.7	-148.1	-3.4	107.4	S101 D108 T697 Y698 Y702	S101-R103 WeakPolarHBondContact CB-O 3.36Å; R103-D108 IonicContact CZ-OD1 2.76Å; R103-D108 IonicContact CZ-OD2 3.51Å; R103-D108 IonicContact NE-OD1 2.76Å; R103-D108 IonicContact NE-OD2 3.78Å; R103-D108 PolarHBondContact NE-OD2 2.7Å; R103-D108 IonicContact NH2-OD1 3.87Å; R103-D108 PolarHBondContact NH2-OD1 3.24Å; R103-D108 IonicContact NH2-OD2 2.79Å; R103-T697 WeakPolarHBondContact CA-O 3.44Å; R103-T697 WeakPolarHBondContact CG-O 3.34Å; R103-Y698 HydrophobicContact CB-CD1 4.01Å; R103-Y698 HydrophobicContact CB-CE1 4.3Å; R103-Y698 HydrophobicContact CB-CG 4.29Å; R103-Y698 WeakPolarHBondContact CD-OH 3.43Å; R103-Y698 HydrophobicContact CG-CD1 3.88Å; R103-Y698 HydrophobicContact CG-CD2 4.01Å; R103-Y698 HydrophobicContact CG-CE1 3.88Å; R103-Y698 HydrophobicContact CG-CE2 3.96Å; R103-Y698 HydrophobicContact CG-CG 3.94Å; R103-Y702 HydrophobicContact CB-CD1 3.96Å; R103-Y702 HydrophobicContact CB-CE1 3.87Å
104	Y	98.4	Very high	97.9	Very high	39 Å²	39	46 Å²	46	15%	0.153	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	132.4	167.1	-160.2	-123.8	0	0	0	109	W91 N95 P98 D108 I109 G696 T697	W91-Y104 AromaticContact CH2-CD1 3.87Å; W91-Y104 HydrophobicContact CH2-CD1 3.87Å; W91-Y104 HydrophobicContact CH2-CG 4.47Å; W91-Y104 WeakPolarHBondContact CH2-O 3.22Å; W91-Y104 AromaticContact CZ2-CD1 3.8Å; W91-Y104 HydrophobicContact CZ2-CD1 3.8Å; W91-Y104 HydrophobicContact CZ2-CE1 4.27Å; N95-Y104 HydrophobicContact CB-CD1 4.39Å; P98-Y104 HydrophobicContact CG-CD2 3.99Å; P98-Y104 HydrophobicContact CG-CE2 3.92Å; P98-Y104 HydrophobicContact CG-CG 4.38Å; Y104-D108 HydrophobicContact CD2-CB 4.21Å; Y104-I109 HydrophobicContact CE1-CD1 4.05Å; Y104-I109 HydrophobicContact CE1-CG1 3.89Å; Y104-I109 HydrophobicContact CE2-CG1 3.97Å; Y104-I109 WeakPolarHBondContact OH-CG1 3.19Å; Y104-G696 CarbonylContact O-C 3.34Å; Y104-G696 WeakPolarHBondContact O-CA 3.46Å; Y104-T697 PolarHBondContact N-O 2.89Å; Y104-T697 PolarHBondContact O-N 3.28Å
105	S	97.6	Very high	97.9	Very high	9 Å²	9	41 Å²	41	6%	0.063	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	173.7	-175.8	67.4	0	0	0	0	110.4	F107 D108 I109 C695	S105-F107 PolarHBondContact O-N 2.99Å; S105-F107 PolarHBondContact OG-N 3.11Å; S105-D108 WeakPolarHBondContact CB-OD2 3.47Å; S105-D108 PolarHBondContact N-OD2 2.95Å; S105-D108 PolarHBondContact O-N 2.99Å; S105-D108 VanDerWaalsContact OG-CG 3.3Å; S105-D108 PolarHBondContact OG-N 3.42Å; S105-D108 PolarHBondContact OG-OD2 2.91Å; S105-I109 WeakPolarHBondContact O-CG1 3.34Å; S105-I109 PolarHBondContact O-N 2.97Å; S105-C695 CarbonylContact C-O 3.26Å; S105-C695 WeakPolarHBondContact CA-O 3.14Å; S105-C695 VanDerWaalsContact CB-O 3.27Å; S105-C695 WeakPolarHBondContact CB-O 3.48Å
106	N	96.6	Very high	97.9	Very high	16 Å²	16	41.8 Å²	41.8	9%	0.086	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-30.8	173.2	-75.4	-17.5	0	0	0	113	W91 L110 Q692 C695	W91-N106 PolarHBondContact NE1-OD1 3.07Å; N106-L110 WeakPolarHBondContact O-CG 3.32Å; N106-L110 PolarHBondContact O-N 3.15Å; N106-L110 VanDerWaalsContact O-N 3.16Å; N106-Q692 PolarHBondContact ND2-O 2.98Å; N106-C695 PolarHBondContact N-O 3.41Å
107	F	97	Very high	97.9	Very high	20 Å²	20	37.5 Å²	37.5	9%	0.088	19%	0.191	C	C	.	.	H	α-helix	trans	-65.3	-42.2	169.9	-81.6	-96	0	0	0	112.1	S105 L110 R111 V542 I559 F564 V693 W694	S105-F107 PolarHBondContact O-N 2.99Å; S105-F107 PolarHBondContact OG-N 3.11Å; F107-L110 PolarHBondContact O-N 3.11Å; F107-R111 VanDerWaalsContact O-CG 3.26Å; F107-R111 WeakPolarHBondContact O-CG 3.28Å; F107-R111 PolarHBondContact O-N 3Å; F107-V542 HydrophobicContact CD1-CG1 4.35Å; F107-I559 HydrophobicContact CE1-CD1 4.35Å; F107-F564 HydrophobicContact CD1-CZ 4Å; F107-F564 HydrophobicContact CD2-CZ 4.15Å; F107-F564 HydrophobicContact CE1-CE1 4.08Å; F107-F564 HydrophobicContact CE1-CE2 4.44Å; F107-F564 AromaticContact CE1-CZ 3.52Å; F107-F564 HydrophobicContact CE1-CZ 3.52Å; F107-F564 HydrophobicContact CE2-CE1 4.08Å; F107-F564 AromaticContact CE2-CZ 3.69Å; F107-F564 HydrophobicContact CE2-CZ 3.69Å; F107-F564 HydrophobicContact CG-CZ 4.31Å; F107-F564 AromaticContact CZ-CE1 3.6Å; F107-F564 HydrophobicContact CZ-CE1 3.6Å; F107-F564 AromaticContact CZ-CZ 3.36Å; F107-F564 HydrophobicContact CZ-CZ 3.36Å; F107-V693 HydrophobicContact CE2-CG1 3.56Å; F107-V693 HydrophobicContact CZ-CG1 4.06Å; F107-W694 HydrophobicContact CD2-CE3 4.46Å; F107-W694 HydrophobicContact CD2-CZ3 4.42Å; F107-W694 AromaticContact CE2-CE3 3.76Å; F107-W694 HydrophobicContact CE2-CE3 3.76Å; F107-W694 HydrophobicContact CE2-CH2 4.15Å; F107-W694 AromaticContact CE2-CZ3 3.54Å; F107-W694 HydrophobicContact CE2-CZ3 3.54Å; F107-W694 HydrophobicContact CZ-CH2 4.16Å; F107-W694 AromaticContact CZ-CZ3 3.93Å; F107-W694 HydrophobicContact CZ-CZ3 3.93Å
108	D	97.6	Very high	97.9	Very high	20 Å²	20	36.4 Å²	36.4	11%	0.107	19%	0.186	C	C	.	.	H	α-helix	trans	-70.8	-36.2	-178.5	-53.7	-56.9	0	0	0	110.8	R103 Y104 S105 R111 D112	R103-D108 IonicContact CZ-OD1 2.76Å; R103-D108 IonicContact CZ-OD2 3.51Å; R103-D108 IonicContact NE-OD1 2.76Å; R103-D108 IonicContact NE-OD2 3.78Å; R103-D108 PolarHBondContact NE-OD2 2.7Å; R103-D108 IonicContact NH2-OD1 3.87Å; R103-D108 PolarHBondContact NH2-OD1 3.24Å; R103-D108 IonicContact NH2-OD2 2.79Å; Y104-D108 HydrophobicContact CD2-CB 4.21Å; S105-D108 WeakPolarHBondContact CB-OD2 3.47Å; S105-D108 PolarHBondContact N-OD2 2.95Å; S105-D108 PolarHBondContact O-N 2.99Å; S105-D108 VanDerWaalsContact OG-CG 3.3Å; S105-D108 PolarHBondContact OG-N 3.42Å; S105-D108 PolarHBondContact OG-OD2 2.91Å; D108-R111 PolarHBondContact O-N 2.77Å; D108-R111 IonicContact OD1-NH1 3.71Å; D108-D112 PolarHBondContact O-N 2.83Å
109	I	97.8	Very high	97.9	Very high	33 Å²	33	37.1 Å²	37.1	17%	0.169	19%	0.185	C	C	.	.	H	α-helix	trans	-60	-48.1	172.5	-69.4	166	0	0	0	111	W91 Y104 S105 R111 D112 E113	W91-I109 HydrophobicContact CZ2-CD1 4.07Å; Y104-I109 HydrophobicContact CE1-CD1 4.05Å; Y104-I109 HydrophobicContact CE1-CG1 3.89Å; Y104-I109 HydrophobicContact CE2-CG1 3.97Å; Y104-I109 WeakPolarHBondContact OH-CG1 3.19Å; S105-I109 WeakPolarHBondContact O-CG1 3.34Å; S105-I109 PolarHBondContact O-N 2.97Å; I109-R111 VanDerWaalsContact C-N 3.29Å; I109-R111 PolarHBondContact O-N 2.98Å; I109-D112 WeakPolarHBondContact O-CB 3.4Å; I109-D112 PolarHBondContact O-N 2.76Å; I109-D112 VanDerWaalsContact O-N 3.15Å; I109-E113 WeakPolarHBondContact O-CG 3.44Å; I109-E113 PolarHBondContact O-N 3.36Å
110	L	97.5	Very high	97.9	Very high	9 Å²	9	35.6 Å²	35.6	5%	0.047	18%	0.18	C	C	.	.	H	α-helix	trans	-66.2	-32.4	179.2	-72	173.8	0	0	0	112.8	N106 F107 E113 L114 V542 Q561 P562 F564	N106-L110 WeakPolarHBondContact O-CG 3.32Å; N106-L110 PolarHBondContact O-N 3.15Å; N106-L110 VanDerWaalsContact O-N 3.16Å; F107-L110 PolarHBondContact O-N 3.11Å; L110-E113 PolarHBondContact O-N 2.94Å; L110-L114 VanDerWaalsContact O-CB 3.3Å; L110-L114 WeakPolarHBondContact O-CB 3.47Å; L110-L114 PolarHBondContact O-N 2.9Å; L110-V542 HydrophobicContact CB-CG1 3.95Å; L110-V542 HydrophobicContact CB-CG2 4.25Å; L110-V542 HydrophobicContact CD1-CG1 4.32Å; L110-Q561 HydrophobicContact CD2-CG 4.28Å; L110-P562 WeakPolarHBondContact CD2-O 3.44Å; L110-F564 HydrophobicContact CD1-CD2 3.97Å; L110-F564 HydrophobicContact CD1-CE2 3.53Å
111	R	98.2	Very high	97.9	Very high	83 Å²	83	34 Å²	34	31%	0.313	17%	0.17	S	C	.	.	H	α-helix	trans	-65.8	-44.4	171.4	-71.1	167.6	-176.8	-178.6	-2.1	110.7	F107 D108 I109 E113 L114 E115 V542	F107-R111 VanDerWaalsContact O-CG 3.26Å; F107-R111 WeakPolarHBondContact O-CG 3.28Å; F107-R111 PolarHBondContact O-N 3Å; D108-R111 PolarHBondContact O-N 2.77Å; D108-R111 IonicContact OD1-NH1 3.71Å; I109-R111 VanDerWaalsContact C-N 3.29Å; I109-R111 PolarHBondContact O-N 2.98Å; R111-E113 VanDerWaalsContact C-N 3.28Å; R111-E113 PolarHBondContact O-N 3.42Å; R111-L114 PolarHBondContact O-N 3.33Å; R111-E115 VanDerWaalsContact O-CG 3.28Å; R111-E115 WeakPolarHBondContact O-CG 3.27Å; R111-E115 PolarHBondContact O-N 3.14Å; R111-V542 HydrophobicContact CG-CB 3.82Å; R111-V542 HydrophobicContact CG-CG2 3.97Å; R111-V542 PolarHBondContact NE-O 3.35Å; R111-V542 PolarHBondContact NH2-O 3.2Å
112	D	97.8	Very high	97.9	Very high	41 Å²	41	33.1 Å²	33.1	22%	0.219	16%	0.164	C	C	.	.	H	α-helix	trans	-61.4	-36.3	176.8	-76.4	-15.7	0	0	0	112.2	D108 I109 R409	D108-D112 PolarHBondContact O-N 2.83Å; I109-D112 WeakPolarHBondContact O-CB 3.4Å; I109-D112 PolarHBondContact O-N 2.76Å; I109-D112 VanDerWaalsContact O-N 3.15Å; D112-R409 PolarHBondContact O-NH1 3.26Å; D112-R409 IonicContact OD1-NH1 3.24Å
113	E	97.8	Very high	97.7	Very high	104 Å²	104	34.8 Å²	34.8	49%	0.486	17%	0.17	S	C	.	.	H	α-helix	trans	-72.3	-43.6	174.6	-71.7	176	179.1	0	0	112.2	I109 L110 R111 E115 V116 V117	I109-E113 WeakPolarHBondContact O-CG 3.44Å; I109-E113 PolarHBondContact O-N 3.36Å; L110-E113 PolarHBondContact O-N 2.94Å; R111-E113 VanDerWaalsContact C-N 3.28Å; R111-E113 PolarHBondContact O-N 3.42Å; E113-E115 VanDerWaalsContact C-N 3.27Å; E113-E115 PolarHBondContact O-N 3.46Å; E113-V116 WeakPolarHBondContact O-CB 3.38Å; E113-V116 PolarHBondContact O-N 3.15Å; E113-V117 PolarHBondContact O-N 2.94Å
114	L	98.3	Very high	97.3	Very high	10 Å²	10	38.1 Å²	38.1	5%	0.052	19%	0.186	C	C	.	.	H	α-helix	trans	-58	-42	174.7	180	147	0	0	0	111.1	L110 R111 V116 V117 L118 Y427 V542	L110-L114 VanDerWaalsContact O-CB 3.3Å; L110-L114 WeakPolarHBondContact O-CB 3.47Å; L110-L114 PolarHBondContact O-N 2.9Å; R111-L114 PolarHBondContact O-N 3.33Å; L114-V116 PolarHBondContact O-N 3.43Å; L114-V117 WeakPolarHBondContact O-CB 3.39Å; L114-V117 PolarHBondContact O-N 3.34Å; L114-V117 VanDerWaalsContact O-N 3.1Å; L114-L118 HydrophobicContact CD2-CD1 3.64Å; L114-L118 HydrophobicContact CD2-CD2 4.41Å; L114-L118 HydrophobicContact CD2-CG 3.8Å; L114-L118 WeakPolarHBondContact O-CG 3.49Å; L114-L118 PolarHBondContact O-N 3.45Å; L114-Y427 HydrophobicContact CD1-CD2 4.4Å; L114-Y427 HydrophobicContact CD1-CE1 4.42Å; L114-Y427 HydrophobicContact CD1-CE2 3.71Å; L114-Y427 HydrophobicContact CG-CD2 4.23Å; L114-Y427 HydrophobicContact CG-CE2 3.67Å; L114-V542 HydrophobicContact CB-CG2 4.26Å; L114-V542 HydrophobicContact CD1-CG2 3.81Å
115	E	98.4	Very high	96.6	Very high	18 Å²	18	42 Å²	42	8%	0.084	22%	0.216	C	C	.	.	H	α-helix	trans	-58.7	-34.8	176.1	-76	171.5	-167.7	0	0	112.6	R111 E113 L118 K119 W408 R409 N413	R111-E115 VanDerWaalsContact O-CG 3.28Å; R111-E115 WeakPolarHBondContact O-CG 3.27Å; R111-E115 PolarHBondContact O-N 3.14Å; E113-E115 VanDerWaalsContact C-N 3.27Å; E113-E115 PolarHBondContact O-N 3.46Å; E115-L118 PolarHBondContact O-N 2.88Å; E115-K119 WeakPolarHBondContact O-CB 3.36Å; E115-K119 PolarHBondContact O-N 3.38Å; E115-W408 HydrophobicContact CB-CH2 4.47Å; E115-W408 HydrophobicContact CB-CZ3 4.1Å; E115-W408 WeakPolarHBondContact O-CZ3 3.34Å; E115-R409 VanDerWaalsContact OE2-CB 3.28Å; E115-R409 WeakPolarHBondContact OE2-CB 3.29Å; E115-R409 WeakPolarHBondContact OE2-CD 3.42Å; E115-R409 WeakPolarHBondContact OE2-CG 3.14Å; E115-R409 IonicContact OE2-CZ 3.18Å; E115-R409 IonicContact OE2-NE 3.65Å; E115-R409 IonicContact OE2-NH1 2.67Å; E115-R409 PolarHBondContact OE2-NH1 3.44Å; E115-N413 WeakPolarHBondContact CG-OD1 3.45Å; E115-N413 PolarHBondContact OE1-ND2 2.79Å
116	V	98.3	Very high	96.3	Very high	62 Å²	62	45.3 Å²	45.3	38%	0.376	23%	0.233	S	C	.	.	H	α-helix	trans	-63.9	-43.3	175.3	175.3	0	0	0	0	110.6	E113 L114 L118 K119 D120 W408	E113-V116 WeakPolarHBondContact O-CB 3.38Å; E113-V116 PolarHBondContact O-N 3.15Å; L114-V116 PolarHBondContact O-N 3.43Å; V116-L118 VanDerWaalsContact C-N 3.33Å; V116-L118 PolarHBondContact O-N 3Å; V116-K119 WeakPolarHBondContact O-CB 3.43Å; V116-K119 PolarHBondContact O-N 2.78Å; V116-D120 PolarHBondContact O-N 2.83Å; V116-W408 HydrophobicContact CG2-CH2 3.93Å
117	V	98.3	Very high	95.8	Very high	34 Å²	34	50 Å²	50	21%	0.206	27%	0.267	C	S	.	.	H	α-helix	trans	-59.8	-46.1	174	-179.4	0	0	0	0	110.3	E113 L114 K119 D120 V121 Y427 E430 A431	E113-V117 PolarHBondContact O-N 2.94Å; L114-V117 WeakPolarHBondContact O-CB 3.39Å; L114-V117 PolarHBondContact O-N 3.34Å; L114-V117 VanDerWaalsContact O-N 3.1Å; V117-K119 VanDerWaalsContact C-N 3.33Å; V117-K119 PolarHBondContact O-N 3.19Å; V117-D120 PolarHBondContact O-N 3.25Å; V117-V121 WeakPolarHBondContact O-CG2 3.26Å; V117-V121 PolarHBondContact O-N 2.91Å; V117-Y427 HydrophobicContact CB-CD2 4.3Å; V117-Y427 HydrophobicContact CB-CE2 4.32Å; V117-Y427 HydrophobicContact CG1-CD2 3.84Å; V117-Y427 HydrophobicContact CG1-CE2 4.17Å; V117-E430 HydrophobicContact CG1-CB 4.19Å; V117-E430 HydrophobicContact CG1-CG 3.93Å; V117-A431 HydrophobicContact CG1-CB 4.13Å
118	L	98.5	Very high	95.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.2	-43	178.5	-64.1	-168.5	0	0	0	112.4	L114 E115 V116 D120 V121 L122 A412 N416 V423 Y427 A540	L114-L118 HydrophobicContact CD2-CD1 3.64Å; L114-L118 HydrophobicContact CD2-CD2 4.41Å; L114-L118 HydrophobicContact CD2-CG 3.8Å; L114-L118 WeakPolarHBondContact O-CG 3.49Å; L114-L118 PolarHBondContact O-N 3.45Å; E115-L118 PolarHBondContact O-N 2.88Å; V116-L118 VanDerWaalsContact C-N 3.33Å; V116-L118 PolarHBondContact O-N 3Å; L118-D120 VanDerWaalsContact C-N 3.33Å; L118-D120 PolarHBondContact O-N 3.22Å; L118-V121 WeakPolarHBondContact O-CG2 3.46Å; L118-V121 PolarHBondContact O-N 3.34Å; L118-L122 VanDerWaalsContact O-CB 3.23Å; L118-L122 WeakPolarHBondContact O-CB 3.37Å; L118-L122 WeakPolarHBondContact O-CD1 3.35Å; L118-L122 WeakPolarHBondContact O-CG 3.36Å; L118-L122 PolarHBondContact O-N 2.83Å; L118-A412 HydrophobicContact CB-CB 3.93Å; L118-N416 HydrophobicContact CD1-CB 3.96Å; L118-V423 HydrophobicContact CD1-CG1 4.3Å; L118-V423 HydrophobicContact CD2-CG1 3.5Å; L118-V423 HydrophobicContact CG-CG1 4.45Å; L118-Y427 HydrophobicContact CD2-CD2 4.13Å; L118-A540 HydrophobicContact CD2-CB 4.09Å
119	K	98.2	Very high	95.5	Very high	56 Å²	56	55.7 Å²	55.7	24%	0.243	30%	0.298	C	S	.	.	H	α-helix	trans	-56.5	-50.6	174.6	-174.3	-161.3	171.2	-61.4	0	110.3	E115 V116 V117 V121 L122 D123 W408	E115-K119 WeakPolarHBondContact O-CB 3.36Å; E115-K119 PolarHBondContact O-N 3.38Å; V116-K119 WeakPolarHBondContact O-CB 3.43Å; V116-K119 PolarHBondContact O-N 2.78Å; V117-K119 VanDerWaalsContact C-N 3.33Å; V117-K119 PolarHBondContact O-N 3.19Å; K119-V121 PolarHBondContact O-N 3.17Å; K119-L122 PolarHBondContact O-N 2.98Å; K119-D123 WeakPolarHBondContact CG-OD2 3.41Å; K119-D123 IonicContact NZ-OD2 3.9Å; K119-D123 PolarHBondContact NZ-OD2 2.82Å; K119-D123 VanDerWaalsContact O-CB 3.28Å; K119-D123 WeakPolarHBondContact O-CB 3.44Å; K119-D123 PolarHBondContact O-N 3.08Å; K119-W408 HydrophobicContact CB-CD2 4.48Å; K119-W408 HydrophobicContact CB-CE3 3.58Å; K119-W408 HydrophobicContact CB-CZ3 3.64Å; K119-W408 HydrophobicContact CD-CD2 3.71Å; K119-W408 HydrophobicContact CD-CE3 3.64Å; K119-W408 HydrophobicContact CD-CG 4.22Å; K119-W408 HydrophobicContact CD-CH2 4.31Å; K119-W408 HydrophobicContact CD-CZ2 4.37Å; K119-W408 HydrophobicContact CD-CZ3 3.96Å; K119-W408 HydrophobicContact CG-CD2 4.1Å; K119-W408 HydrophobicContact CG-CE3 3.65Å; K119-W408 HydrophobicContact CG-CZ3 4.13Å
120	D	97.3	Very high	95.5	Very high	63 Å²	63	55.6 Å²	55.6	34%	0.337	30%	0.298	S	S	.	.	H	α-helix	trans	-62.5	-41.2	-176.2	-79.6	-1.4	0	0	0	112.8	V116 V117 L118 K124	V116-D120 PolarHBondContact O-N 2.83Å; V117-D120 PolarHBondContact O-N 3.25Å; L118-D120 VanDerWaalsContact C-N 3.33Å; L118-D120 PolarHBondContact O-N 3.22Å; D120-K124 VanDerWaalsContact O-CD 3.26Å; D120-K124 WeakPolarHBondContact O-CD 3.48Å; D120-K124 WeakPolarHBondContact O-CG 3.42Å; D120-K124 PolarHBondContact O-N 3.44Å
121	V	97.4	Very high	95.5	Very high	13 Å²	13	58.4 Å²	58.4	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-78.1	-26.5	179.9	-57.7	0	0	0	0	113.1	V117 L118 K119 K137 L426 E430	V117-V121 WeakPolarHBondContact O-CG2 3.26Å; V117-V121 PolarHBondContact O-N 2.91Å; L118-V121 WeakPolarHBondContact O-CG2 3.46Å; L118-V121 PolarHBondContact O-N 3.34Å; K119-V121 PolarHBondContact O-N 3.17Å; V121-K137 WeakPolarHBondContact O-CE 3.38Å; V121-L426 HydrophobicContact CB-CB 3.95Å; V121-L426 HydrophobicContact CB-CD1 4.38Å; V121-L426 HydrophobicContact CG2-CB 3.68Å; V121-L426 HydrophobicContact CG2-CD1 4.1Å; V121-L426 HydrophobicContact CG2-CG 4.5Å; V121-E430 HydrophobicContact CG1-CB 3.94Å; V121-E430 HydrophobicContact CG1-CG 4.07Å
122	L	98.3	Very high	95.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-84.2	-32.8	177.9	-70.5	170	0	0	0	113.2	L118 K119 A136 K137 Y140 A412 V415 V423 L426	L118-L122 VanDerWaalsContact O-CB 3.23Å; L118-L122 WeakPolarHBondContact O-CB 3.37Å; L118-L122 WeakPolarHBondContact O-CD1 3.35Å; L118-L122 WeakPolarHBondContact O-CG 3.36Å; L118-L122 PolarHBondContact O-N 2.83Å; K119-L122 PolarHBondContact O-N 2.98Å; L122-A136 HydrophobicContact CD2-CB 4.26Å; L122-K137 HydrophobicContact CD2-CG 4.37Å; L122-K137 WeakPolarHBondContact O-CG 3.16Å; L122-Y140 HydrophobicContact CB-CD1 3.96Å; L122-Y140 HydrophobicContact CB-CD2 4.08Å; L122-Y140 HydrophobicContact CB-CE1 4.35Å; L122-Y140 HydrophobicContact CB-CE2 4.44Å; L122-Y140 HydrophobicContact CB-CG 3.8Å; L122-Y140 HydrophobicContact CD1-CD2 3.75Å; L122-Y140 HydrophobicContact CD1-CE2 4.27Å; L122-Y140 HydrophobicContact CD1-CG 4.17Å; L122-A412 HydrophobicContact CD1-CB 4.3Å; L122-V415 HydrophobicContact CD1-CB 4.34Å; L122-V415 HydrophobicContact CD2-CG1 4.24Å; L122-V423 HydrophobicContact CD2-CG2 4.39Å; L122-L426 HydrophobicContact CD2-CD1 4.19Å
123	D	94.4	Very high	95.5	Very high	60 Å²	60	52.7 Å²	52.7	32%	0.321	29%	0.292	S	S	.	.	H	α-helix	trans	-73.6	-37.7	179.2	-93.2	-36.1	0	0	0	113	K119 P125 Y140	K119-D123 WeakPolarHBondContact CG-OD2 3.41Å; K119-D123 IonicContact NZ-OD2 3.9Å; K119-D123 PolarHBondContact NZ-OD2 2.82Å; K119-D123 VanDerWaalsContact O-CB 3.28Å; K119-D123 WeakPolarHBondContact O-CB 3.44Å; K119-D123 PolarHBondContact O-N 3.08Å; D123-P125 VanDerWaalsContact O-CD 3.3Å; D123-P125 WeakPolarHBondContact O-CD 3.28Å; D123-Y140 WeakPolarHBondContact OD1-CE1 3.4Å
124	K	89.6	Confident	95.5	Very high	111 Å²	111	52.2 Å²	52.2	48%	0.483	29%	0.289	S	S	.	.	S	Bend	trans	-72.2	117.2	-172.4	-72.1	170.8	-168.2	166.8	0	111	D120 K137	D120-K124 VanDerWaalsContact O-CD 3.26Å; D120-K124 WeakPolarHBondContact O-CD 3.48Å; D120-K124 WeakPolarHBondContact O-CG 3.42Å; D120-K124 PolarHBondContact O-N 3.44Å; K124-K137 PolarHBondContact O-NZ 3.16Å
125	P	84	Confident	95.5	Very high	119 Å²	119	53.1 Å²	53.1	77%	0.773	29%	0.293	S	S	*	.			trans	-70.7	140.1	172.3	29.8	-33	0	0	0	110.2	D123	D123-P125 VanDerWaalsContact O-CD 3.3Å; D123-P125 WeakPolarHBondContact O-CD 3.28Å
126	N	90.8	Very high	95.5	Very high	80 Å²	80	52.2 Å²	52.2	43%	0.428	29%	0.289	S	S	.	.			trans	-140	125.4	174.7	179.1	-4.1	0	0	0	109.9	N128 D129	N126-N128 PolarHBondContact O-N 3.08Å; N126-N128 WeakPolarHBondContact OD1-CB 3.41Å; N126-N128 PolarHBondContact OD1-N 3.49Å; N126-D129 WeakPolarHBondContact CB-OD1 3.44Å; N126-D129 WeakPolarHBondContact O-CB 3.32Å; N126-D129 VanDerWaalsContact O-CG 3.24Å; N126-D129 PolarHBondContact O-N 3.22Å
127	S	86.1	Confident	95.6	Very high	114 Å²	114	49.7 Å²	49.7	80%	0.797	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.2	-178.8	56.9	0	0	0	0	113.6
128	N	92.8	Very high	95.6	Very high	135 Å²	135	49.2 Å²	49.2	72%	0.722	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	4.8	-179.9	-59.8	-24.8	0	0	0	112.8	N126 I130	N126-N128 PolarHBondContact O-N 3.08Å; N126-N128 WeakPolarHBondContact OD1-CB 3.41Å; N126-N128 PolarHBondContact OD1-N 3.49Å; N128-I130 PolarHBondContact O-N 3.16Å
129	D	96.3	Very high	95.6	Very high	24 Å²	24	49.2 Å²	49.2	13%	0.128	27%	0.27	C	S	.	.			trans	-62	129.4	178	-73.9	-25.4	0	0	0	110.9	N126 V133 Q134 K137	N126-D129 WeakPolarHBondContact CB-OD1 3.44Å; N126-D129 WeakPolarHBondContact O-CB 3.32Å; N126-D129 VanDerWaalsContact O-CG 3.24Å; N126-D129 PolarHBondContact O-N 3.22Å; D129-V133 HydrophobicContact CB-CB 4.18Å; D129-V133 HydrophobicContact CB-CG1 3.83Å; D129-V133 VanDerWaalsContact CG-CG1 3.48Å; D129-V133 WeakPolarHBondContact OD1-CG1 3.46Å; D129-Q134 HydrophobicContact CB-CG 3.73Å; D129-Q134 PolarHBondContact O-NE2 3.16Å; D129-K137 VanDerWaalsContact CG-NZ 3.35Å; D129-K137 IonicContact OD1-NZ 2.75Å; D129-K137 PolarHBondContact OD1-NZ 3.06Å; D129-K137 WeakPolarHBondContact OD2-CD 3.44Å; D129-K137 WeakPolarHBondContact OD2-CE 3.44Å; D129-K137 IonicContact OD2-NZ 3.27Å; D129-K137 PolarHBondContact OD2-NZ 2.92Å
130	I	97.2	Very high	95.6	Very high	31 Å²	31	46.6 Å²	46.6	16%	0.159	26%	0.258	C	S	.	.			trans	-68.3	160.4	169.4	63.2	171.2	0	0	0	110.9	N128 A132 V133 Q134 N490 L493	N128-I130 PolarHBondContact O-N 3.16Å; I130-A132 VanDerWaalsContact C-N 3.3Å; I130-A132 HydrophobicContact CD1-CB 4.3Å; I130-A132 HydrophobicContact CG1-CB 4.46Å; I130-A132 PolarHBondContact O-N 3.41Å; I130-A132 VanDerWaalsContact O-N 3.17Å; I130-V133 HydrophobicContact CD1-CG2 4.33Å; I130-V133 HydrophobicContact CG1-CB 4.12Å; I130-V133 HydrophobicContact CG1-CG2 3.75Å; I130-V133 WeakPolarHBondContact O-CB 3.29Å; I130-V133 PolarHBondContact O-N 3.2Å; I130-Q134 WeakPolarHBondContact O-CG 3.42Å; I130-Q134 PolarHBondContact O-N 3.1Å; I130-N490 HydrophobicContact CD1-CB 4.39Å; I130-N490 HydrophobicContact CG2-CB 4.3Å; I130-L493 HydrophobicContact CD1-CD2 3.92Å
131	T	97.6	Very high	95.7	Very high	69 Å²	69	47.3 Å²	47.3	42%	0.423	26%	0.256	S	S	.	.	H	α-helix	trans	-52.1	-41.8	-176.7	-52.5	0	0	0	0	113.9	V133 Q134 K135 N494	T131-V133 PolarHBondContact O-N 3.4Å; T131-Q134 PolarHBondContact O-N 2.96Å; T131-K135 HydrophobicContact CG2-CD 4.49Å; T131-K135 WeakPolarHBondContact O-CG 3.23Å; T131-K135 PolarHBondContact O-N 3.38Å; T131-N494 PolarHBondContact N-OD1 2.93Å
132	A	98.2	Very high	95.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-59.9	-44.1	176.8	0	0	0	0	0	112.4	I130 K135 A136 M419 A422 L493 N494 Y497	I130-A132 VanDerWaalsContact C-N 3.3Å; I130-A132 HydrophobicContact CD1-CB 4.3Å; I130-A132 HydrophobicContact CG1-CB 4.46Å; I130-A132 PolarHBondContact O-N 3.41Å; I130-A132 VanDerWaalsContact O-N 3.17Å; A132-K135 PolarHBondContact O-N 3.25Å; A132-A136 PolarHBondContact O-N 3.15Å; A132-A136 VanDerWaalsContact O-N 3.09Å; A132-M419 WeakPolarHBondContact O-CE 3.22Å; A132-A422 HydrophobicContact CB-CB 4.39Å; A132-L493 HydrophobicContact CB-CD2 4.42Å; A132-L493 HydrophobicContact CB-CG 3.89Å; A132-N494 WeakPolarHBondContact CB-OD1 3.41Å; A132-N494 PolarHBondContact N-OD1 3.48Å; A132-Y497 HydrophobicContact CB-CD2 3.88Å; A132-Y497 HydrophobicContact CB-CE2 4.48Å
133	V	98.3	Very high	95.7	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.018	26%	0.255	C	S	.	.	H	α-helix	trans	-67.9	-42.8	177.6	171.4	0	0	0	0	110.7	D129 I130 T131 K135 A136 K137 L426	D129-V133 HydrophobicContact CB-CB 4.18Å; D129-V133 HydrophobicContact CB-CG1 3.83Å; D129-V133 VanDerWaalsContact CG-CG1 3.48Å; D129-V133 WeakPolarHBondContact OD1-CG1 3.46Å; I130-V133 HydrophobicContact CD1-CG2 4.33Å; I130-V133 HydrophobicContact CG1-CB 4.12Å; I130-V133 HydrophobicContact CG1-CG2 3.75Å; I130-V133 WeakPolarHBondContact O-CB 3.29Å; I130-V133 PolarHBondContact O-N 3.2Å; T131-V133 PolarHBondContact O-N 3.4Å; V133-K135 VanDerWaalsContact C-N 3.29Å; V133-K135 PolarHBondContact O-N 2.9Å; V133-A136 PolarHBondContact O-N 3.32Å; V133-A136 VanDerWaalsContact O-N 3.17Å; V133-K137 HydrophobicContact CG1-CD 4.23Å; V133-K137 HydrophobicContact CG1-CG 4.43Å; V133-K137 WeakPolarHBondContact O-CG 3.42Å; V133-K137 PolarHBondContact O-N 3.32Å; V133-L426 HydrophobicContact CG1-CD1 4.18Å; V133-L426 HydrophobicContact CG1-CD2 3.95Å; V133-L426 HydrophobicContact CG1-CG 4.45Å; V133-L426 HydrophobicContact CG2-CD2 4.26Å; V133-L426 HydrophobicContact CG2-CG 4.45Å
134	Q	98.1	Very high	95.9	Very high	93 Å²	93	47 Å²	47	44%	0.435	25%	0.254	S	S	.	.	H	α-helix	trans	-57.2	-44.5	175.5	-66.6	176	0.8	0	0	111.3	D129 I130 T131 K137 T138	D129-Q134 HydrophobicContact CB-CG 3.73Å; D129-Q134 PolarHBondContact O-NE2 3.16Å; I130-Q134 WeakPolarHBondContact O-CG 3.42Å; I130-Q134 PolarHBondContact O-N 3.1Å; T131-Q134 PolarHBondContact O-N 2.96Å; Q134-K137 PolarHBondContact O-N 2.83Å; Q134-T138 WeakPolarHBondContact O-CB 3.44Å; Q134-T138 PolarHBondContact O-N 2.86Å; Q134-T138 PolarHBondContact O-OG1 3.27Å
135	K	98.5	Very high	96.3	Very high	29 Å²	29	44.6 Å²	44.6	13%	0.126	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-44.6	175.8	-74.3	179.4	-174.8	-172	0	112.1	T131 A132 V133 K137 T138 L139 M419 Y497 Q498 L500 Y502	T131-K135 HydrophobicContact CG2-CD 4.49Å; T131-K135 WeakPolarHBondContact O-CG 3.23Å; T131-K135 PolarHBondContact O-N 3.38Å; A132-K135 PolarHBondContact O-N 3.25Å; V133-K135 VanDerWaalsContact C-N 3.29Å; V133-K135 PolarHBondContact O-N 2.9Å; K135-K137 PolarHBondContact O-N 3.02Å; K135-T138 PolarHBondContact O-N 3.42Å; K135-L139 WeakPolarHBondContact O-CB 3.31Å; K135-L139 PolarHBondContact O-N 2.73Å; K135-M419 HydrophobicContact CB-CE 3.86Å; K135-M419 HydrophobicContact CB-SD 4.46Å; K135-Y497 PolarHBondContact NZ-O 2.87Å; K135-Q498 PolarHBondContact NZ-O 3.39Å; K135-L500 WeakPolarHBondContact CD-O 3.36Å; K135-L500 WeakPolarHBondContact CE-O 3.47Å; K135-L500 PolarHBondContact NZ-O 2.93Å; K135-Y502 HydrophobicContact CB-CD2 3.95Å; K135-Y502 HydrophobicContact CB-CE2 4.05Å; K135-Y502 HydrophobicContact CG-CD2 4.46Å; K135-Y502 WeakPolarHBondContact O-CD2 3.49Å
136	A	98.6	Very high	97	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-45.4	176.4	0	0	0	0	0	112	L122 A132 V133 L139 Y140 V415 M419 A422 V423	L122-A136 HydrophobicContact CD2-CB 4.26Å; A132-A136 PolarHBondContact O-N 3.15Å; A132-A136 VanDerWaalsContact O-N 3.09Å; V133-A136 PolarHBondContact O-N 3.32Å; V133-A136 VanDerWaalsContact O-N 3.17Å; A136-L139 PolarHBondContact O-N 3.21Å; A136-Y140 WeakPolarHBondContact O-CB 3.38Å; A136-Y140 PolarHBondContact O-N 3.06Å; A136-V415 HydrophobicContact CB-CG1 3.8Å; A136-V415 WeakPolarHBondContact O-CG1 3.24Å; A136-M419 VanDerWaalsContact CA-SD 3.52Å; A136-M419 HydrophobicContact CB-CE 4.22Å; A136-M419 HydrophobicContact CB-SD 3.84Å; A136-A422 HydrophobicContact CB-CB 4.35Å; A136-V423 HydrophobicContact CB-CG2 4.45Å
137	K	98.6	Very high	97.4	Very high	9 Å²	9	43 Å²	43	4%	0.039	24%	0.235	C	C	.	.	H	α-helix	trans	-67.8	-37.7	177.4	-62.7	-175	179.3	179	0	112.6	V121 L122 K124 D129 V133 Q134 K135 Y140 R141	V121-K137 WeakPolarHBondContact O-CE 3.38Å; L122-K137 HydrophobicContact CD2-CG 4.37Å; L122-K137 WeakPolarHBondContact O-CG 3.16Å; K124-K137 PolarHBondContact O-NZ 3.16Å; D129-K137 VanDerWaalsContact CG-NZ 3.35Å; D129-K137 IonicContact OD1-NZ 2.75Å; D129-K137 PolarHBondContact OD1-NZ 3.06Å; D129-K137 WeakPolarHBondContact OD2-CD 3.44Å; D129-K137 WeakPolarHBondContact OD2-CE 3.44Å; D129-K137 IonicContact OD2-NZ 3.27Å; D129-K137 PolarHBondContact OD2-NZ 2.92Å; V133-K137 HydrophobicContact CG1-CD 4.23Å; V133-K137 HydrophobicContact CG1-CG 4.43Å; V133-K137 WeakPolarHBondContact O-CG 3.42Å; V133-K137 PolarHBondContact O-N 3.32Å; Q134-K137 PolarHBondContact O-N 2.83Å; K135-K137 PolarHBondContact O-N 3.02Å; K137-Y140 PolarHBondContact O-N 2.77Å; K137-R141 WeakPolarHBondContact O-CG 3.4Å; K137-R141 PolarHBondContact O-N 2.65Å; K137-R141 PolarHBondContact O-NH1 3.43Å
138	T	98.4	Very high	97.9	Very high	24 Å²	24	39.4 Å²	39.4	15%	0.147	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-44.5	173.5	-64.9	0	0	0	0	111.3	Q134 K135 Y140 R141 S142 E504	Q134-T138 WeakPolarHBondContact O-CB 3.44Å; Q134-T138 PolarHBondContact O-N 2.86Å; Q134-T138 PolarHBondContact O-OG1 3.27Å; K135-T138 PolarHBondContact O-N 3.42Å; T138-Y140 VanDerWaalsContact C-N 3.32Å; T138-Y140 PolarHBondContact O-N 3.22Å; T138-R141 PolarHBondContact O-N 3.21Å; T138-R141 PolarHBondContact OG1-NH2 2.81Å; T138-R141 VanDerWaalsContact OG1-NH2 3.09Å; T138-S142 PolarHBondContact O-N 3.16Å; T138-E504 HydrophobicContact CG2-CG 3.75Å
139	L	98.7	Very high	98.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-44.5	175.6	-175.3	61	0	0	0	110.8	K135 A136 S142 C143 Y414 V415 M419 Y502 N510	K135-L139 WeakPolarHBondContact O-CB 3.31Å; K135-L139 PolarHBondContact O-N 2.73Å; A136-L139 PolarHBondContact O-N 3.21Å; L139-S142 PolarHBondContact O-N 3Å; L139-S142 PolarHBondContact O-OG 3.16Å; L139-C143 PolarHBondContact O-N 3.25Å; L139-C143 VanDerWaalsContact O-N 3.1Å; L139-Y414 HydrophobicContact CD1-CE1 4.17Å; L139-Y414 HydrophobicContact CD2-CD1 4.34Å; L139-Y414 HydrophobicContact CD2-CE1 4.03Å; L139-Y414 HydrophobicContact CG-CE1 4.3Å; L139-V415 HydrophobicContact CB-CG2 4.07Å; L139-V415 HydrophobicContact CD2-CB 4.46Å; L139-V415 HydrophobicContact CD2-CG1 4.37Å; L139-V415 HydrophobicContact CD2-CG2 3.94Å; L139-V415 HydrophobicContact CG-CG2 3.83Å; L139-M419 HydrophobicContact CD2-SD 4.42Å; L139-Y502 HydrophobicContact CB-CD2 3.92Å; L139-Y502 HydrophobicContact CB-CE2 4.01Å; L139-Y502 HydrophobicContact CB-CG 4.34Å; L139-Y502 HydrophobicContact CD1-CD1 4.09Å; L139-Y502 HydrophobicContact CD1-CE1 4.08Å; L139-Y502 HydrophobicContact CD1-CG 4.32Å; L139-Y502 HydrophobicContact CD2-CE2 4.16Å; L139-Y502 HydrophobicContact CG-CE2 4.48Å; L139-N510 HydrophobicContact CD1-CB 3.6Å
140	Y	98.8	Very high	98.3	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-60	-49.8	176.9	-179	-98.1	0	0	0	112.2	L122 D123 A136 K137 T138 S142 C143 I144 W408 C411 A412 V415	L122-Y140 HydrophobicContact CB-CD1 3.96Å; L122-Y140 HydrophobicContact CB-CD2 4.08Å; L122-Y140 HydrophobicContact CB-CE1 4.35Å; L122-Y140 HydrophobicContact CB-CE2 4.44Å; L122-Y140 HydrophobicContact CB-CG 3.8Å; L122-Y140 HydrophobicContact CD1-CD2 3.75Å; L122-Y140 HydrophobicContact CD1-CE2 4.27Å; L122-Y140 HydrophobicContact CD1-CG 4.17Å; D123-Y140 WeakPolarHBondContact OD1-CE1 3.4Å; A136-Y140 WeakPolarHBondContact O-CB 3.38Å; A136-Y140 PolarHBondContact O-N 3.06Å; K137-Y140 PolarHBondContact O-N 2.77Å; T138-Y140 VanDerWaalsContact C-N 3.32Å; T138-Y140 PolarHBondContact O-N 3.22Å; Y140-S142 VanDerWaalsContact C-N 3.3Å; Y140-S142 PolarHBondContact O-N 3.2Å; Y140-C143 WeakPolarHBondContact O-CB 3.45Å; Y140-C143 PolarHBondContact O-N 2.81Å; Y140-I144 HydrophobicContact CD1-CD1 4.26Å; Y140-I144 HydrophobicContact CD1-CG2 4.37Å; Y140-I144 HydrophobicContact CD2-CG2 4.44Å; Y140-I144 HydrophobicContact CE1-CD1 3.8Å; Y140-I144 HydrophobicContact CE1-CG2 3.85Å; Y140-I144 HydrophobicContact CE2-CG2 3.97Å; Y140-I144 PolarHBondContact O-N 2.91Å; Y140-I144 VanDerWaalsContact O-N 3.07Å; Y140-W408 WeakPolarHBondContact OH-CB 3.38Å; Y140-C411 HydrophobicContact CD2-CB 3.85Å; Y140-C411 HydrophobicContact CE2-CB 3.79Å; Y140-A412 HydrophobicContact CE2-CB 4.09Å; Y140-V415 HydrophobicContact CD2-CG2 4.43Å
141	R	98.6	Very high	98.4	Very high	77 Å²	77	38 Å²	38	29%	0.291	21%	0.207	S	C	.	.	H	α-helix	trans	-58.5	-39.9	176.4	-74.5	-168.6	-61.5	-78	-2.9	112.5	K137 T138 C143 I144 N145 E504	K137-R141 WeakPolarHBondContact O-CG 3.4Å; K137-R141 PolarHBondContact O-N 2.65Å; K137-R141 PolarHBondContact O-NH1 3.43Å; T138-R141 PolarHBondContact O-N 3.21Å; T138-R141 PolarHBondContact OG1-NH2 2.81Å; T138-R141 VanDerWaalsContact OG1-NH2 3.09Å; R141-C143 VanDerWaalsContact C-N 3.28Å; R141-C143 PolarHBondContact O-N 3.4Å; R141-I144 WeakPolarHBondContact O-CG1 3.46Å; R141-N145 PolarHBondContact O-N 3.49Å; R141-E504 IonicContact CZ-OE1 3.41Å; R141-E504 VanDerWaalsContact NE-CD 3.3Å; R141-E504 IonicContact NE-OE1 3.41Å; R141-E504 PolarHBondContact NE-OE1 2.92Å; R141-E504 IonicContact NE-OE2 3.1Å; R141-E504 PolarHBondContact NE-OE2 2.93Å; R141-E504 IonicContact NH2-OE1 3.84Å; R141-E504 PolarHBondContact NH2-OE1 3.16Å
142	S	98.6	Very high	98.4	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.014	20%	0.2	C	C	.	.	H	α-helix	trans	-62.5	-37.3	175.9	78.5	0	0	0	0	112.7	T138 L139 Y140 K503 E504 Y507 N510	T138-S142 PolarHBondContact O-N 3.16Å; L139-S142 PolarHBondContact O-N 3Å; L139-S142 PolarHBondContact O-OG 3.16Å; Y140-S142 VanDerWaalsContact C-N 3.3Å; Y140-S142 PolarHBondContact O-N 3.2Å; S142-K503 WeakPolarHBondContact CB-O 3.49Å; S142-E504 WeakPolarHBondContact CA-O 3.47Å; S142-E504 WeakPolarHBondContact CB-O 3.27Å; S142-Y507 WeakPolarHBondContact O-CB 3.23Å; S142-N510 WeakPolarHBondContact CB-ND2 3.44Å; S142-N510 PolarHBondContact OG-ND2 3.46Å
143	C	98.6	Very high	98.4	Very high	7 Å²	7	45.9 Å²	45.9	5%	0.047	23%	0.229	C	C	.	.	H	α-helix	trans	-73.6	-41.7	-177.7	-179.5	0	0	0	0	112.9	L139 Y140 R141 N145 I149 C411 Y507	L139-C143 PolarHBondContact O-N 3.25Å; L139-C143 VanDerWaalsContact O-N 3.1Å; Y140-C143 WeakPolarHBondContact O-CB 3.45Å; Y140-C143 PolarHBondContact O-N 2.81Å; R141-C143 VanDerWaalsContact C-N 3.28Å; R141-C143 PolarHBondContact O-N 3.4Å; C143-N145 VanDerWaalsContact C-N 3.29Å; C143-N145 PolarHBondContact O-N 3.37Å; C143-I149 WeakPolarHBondContact O-CD1 3.2Å; C143-C411 HydrophobicContact CB-CB 3.6Å; C143-C411 WeakPolarHBondContact CB-SG 3.44Å; C143-C411 PolarHBondContact O-SG 2.71Å; C143-C411 WeakPolarHBondContact SG-CA 3.32Å; C143-C411 WeakPolarHBondContact SG-CB 3.46Å; C143-C411 CovalentContact SG-SG 2.03Å; C143-C411 PolarHBondContact SG-SG 2.88Å; C143-Y507 HydrophobicContact CB-CD2 3.7Å; C143-Y507 HydrophobicContact CB-CE2 3.38Å; C143-Y507 HydrophobicContact CB-CG 4.42Å; C143-Y507 PolarHBondContact SG-OH 2.83Å; C143-Y507 VanDerWaalsContact SG-OH 3.41Å
144	I	98.3	Very high	98.4	Very high	57 Å²	57	45.7 Å²	45.7	29%	0.292	23%	0.228	S	C	.	.	H	α-helix	trans	-75.3	-17.6	-176.1	64.4	174	0	0	0	113.4	Y140 R141 E146 W408 C411	Y140-I144 HydrophobicContact CD1-CD1 4.26Å; Y140-I144 HydrophobicContact CD1-CG2 4.37Å; Y140-I144 HydrophobicContact CD2-CG2 4.44Å; Y140-I144 HydrophobicContact CE1-CD1 3.8Å; Y140-I144 HydrophobicContact CE1-CG2 3.85Å; Y140-I144 HydrophobicContact CE2-CG2 3.97Å; Y140-I144 PolarHBondContact O-N 2.91Å; Y140-I144 VanDerWaalsContact O-N 3.07Å; R141-I144 WeakPolarHBondContact O-CG1 3.46Å; I144-E146 VanDerWaalsContact C-N 3.3Å; I144-E146 PolarHBondContact O-N 3.16Å; I144-W408 HydrophobicContact CG2-CB 4.47Å; I144-C411 HydrophobicContact CG2-CB 3.71Å
145	N	98.3	Very high	98.4	Very high	61 Å²	61	45.9 Å²	45.9	33%	0.326	23%	0.23	S	C	.	.			trans	-79.4	75.4	-178.2	-173.3	-5.5	0	0	0	111.8	R141 C143 T147 T148 I149	R141-N145 PolarHBondContact O-N 3.49Å; C143-N145 VanDerWaalsContact C-N 3.29Å; C143-N145 PolarHBondContact O-N 3.37Å; N145-T147 PolarHBondContact O-N 3.39Å; N145-T147 PolarHBondContact OD1-N 2.69Å; N145-T148 PolarHBondContact ND2-OG1 3.38Å; N145-T148 PolarHBondContact O-N 2.91Å; N145-T148 PolarHBondContact OD1-N 3.39Å; N145-T148 VanDerWaalsContact OD1-N 3.15Å; N145-T148 PolarHBondContact OD1-OG1 2.94Å; N145-I149 PolarHBondContact O-N 3.45Å
146	E	97.9	Very high	98.4	Very high	51 Å²	51	45 Å²	45	24%	0.238	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-27.1	178.7	-66.5	-154	111.1	0	0	113	I144 T148 I149 D150 K388 V407	I144-E146 VanDerWaalsContact C-N 3.3Å; I144-E146 PolarHBondContact O-N 3.16Å; E146-T148 PolarHBondContact O-N 3.42Å; E146-I149 PolarHBondContact O-N 3.38Å; E146-D150 VanDerWaalsContact O-CB 3.26Å; E146-D150 WeakPolarHBondContact O-CB 3.23Å; E146-D150 VanDerWaalsContact O-CG 3.27Å; E146-D150 PolarHBondContact O-N 2.91Å; E146-K388 IonicContact OE1-NZ 2.75Å; E146-K388 PolarHBondContact OE1-NZ 3.15Å; E146-V407 VanDerWaalsContact CD-CG2 3.4Å; E146-V407 HydrophobicContact CG-CG1 4.01Å; E146-V407 HydrophobicContact CG-CG2 4.08Å; E146-V407 VanDerWaalsContact OE2-CG2 3.26Å; E146-V407 WeakPolarHBondContact OE2-CG2 3.35Å
147	T	98.3	Very high	98.4	Very high	116 Å²	116	45 Å²	45	71%	0.712	23%	0.227	S	C	*	.	H	α-helix	trans	-61.6	-45.9	177.4	-60.2	0	0	0	0	111.1	N145 S151	N145-T147 PolarHBondContact O-N 3.39Å; N145-T147 PolarHBondContact OD1-N 2.69Å; T147-S151 WeakPolarHBondContact O-CB 3.3Å; T147-S151 PolarHBondContact O-N 3.28Å; T147-S151 VanDerWaalsContact O-N 3.09Å
148	T	98.2	Very high	98.3	Very high	38 Å²	38	45.6 Å²	45.6	23%	0.233	23%	0.23	C	C	.	.	H	α-helix	trans	-68.2	-43.4	176.4	-63.2	0	0	0	0	111.5	N145 E146 D150 S151 R152 D505	N145-T148 PolarHBondContact ND2-OG1 3.38Å; N145-T148 PolarHBondContact O-N 2.91Å; N145-T148 PolarHBondContact OD1-N 3.39Å; N145-T148 VanDerWaalsContact OD1-N 3.15Å; N145-T148 PolarHBondContact OD1-OG1 2.94Å; E146-T148 PolarHBondContact O-N 3.42Å; T148-D150 PolarHBondContact O-N 2.95Å; T148-S151 PolarHBondContact O-N 2.98Å; T148-S151 PolarHBondContact O-OG 3.05Å; T148-R152 WeakPolarHBondContact O-CG 3.41Å; T148-R152 PolarHBondContact O-N 3.3Å; T148-D505 HydrophobicContact CG2-CB 4.08Å; T148-D505 WeakPolarHBondContact CG2-O 3.46Å
149	I	98.5	Very high	98.3	Very high	14 Å²	14	47.8 Å²	47.8	7%	0.072	25%	0.247	C	C	.	.	H	α-helix	trans	-58.9	-46.3	177.3	-65.1	167.3	0	0	0	111.2	C143 N145 E146 S151 R152 L383 Y507	C143-I149 WeakPolarHBondContact O-CD1 3.2Å; N145-I149 PolarHBondContact O-N 3.45Å; E146-I149 PolarHBondContact O-N 3.38Å; I149-S151 PolarHBondContact O-N 3.29Å; I149-R152 PolarHBondContact O-N 3.36Å; I149-L383 VanDerWaalsContact CG2-C 3.48Å; I149-L383 VanDerWaalsContact CG2-O 3.28Å; I149-L383 WeakPolarHBondContact CG2-O 3.46Å; I149-Y507 HydrophobicContact CD1-CD1 3.59Å; I149-Y507 HydrophobicContact CD1-CE1 4.33Å; I149-Y507 HydrophobicContact CD1-CG 4.14Å; I149-Y507 HydrophobicContact CG1-CD1 4.23Å
150	D	98.4	Very high	98.3	Very high	59 Å²	59	48.3 Å²	48.3	32%	0.316	25%	0.249	S	C	.	.	H	α-helix	trans	-66.5	-38.1	-178.8	-75.5	-18	0	0	0	112.1	E146 T148 R152 R153 S384 R385	E146-D150 VanDerWaalsContact O-CB 3.26Å; E146-D150 WeakPolarHBondContact O-CB 3.23Å; E146-D150 VanDerWaalsContact O-CG 3.27Å; E146-D150 PolarHBondContact O-N 2.91Å; T148-D150 PolarHBondContact O-N 2.95Å; D150-R152 PolarHBondContact O-N 2.86Å; D150-R153 PolarHBondContact O-N 3.48Å; D150-R153 VanDerWaalsContact O-N 3.1Å; D150-S384 WeakPolarHBondContact OD1-CA 3.43Å; D150-R385 PolarHBondContact OD1-N 2.98Å
151	S	98.3	Very high	98.2	Very high	86 Å²	86	48.2 Å²	48.2	60%	0.601	25%	0.249	S	C	*	.	H	α-helix	trans	-60.7	-28.9	177.6	76.1	0	0	0	0	113.3	T147 T148 I149	T147-S151 WeakPolarHBondContact O-CB 3.3Å; T147-S151 PolarHBondContact O-N 3.28Å; T147-S151 VanDerWaalsContact O-N 3.09Å; T148-S151 PolarHBondContact O-N 2.98Å; T148-S151 PolarHBondContact O-OG 3.05Å; I149-S151 PolarHBondContact O-N 3.29Å
152	R	98.1	Very high	98	Very high	75 Å²	75	47.4 Å²	47.4	28%	0.283	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.5	179.2	-63.8	172.5	74.7	118.6	5.4	113.7	T148 I149 D150 G154 M155 P156 D505 E509	T148-R152 WeakPolarHBondContact O-CG 3.41Å; T148-R152 PolarHBondContact O-N 3.3Å; I149-R152 PolarHBondContact O-N 3.36Å; D150-R152 PolarHBondContact O-N 2.86Å; R152-G154 PolarHBondContact O-N 2.92Å; R152-M155 WeakPolarHBondContact O-CB 3.28Å; R152-M155 PolarHBondContact O-N 3.28Å; R152-M155 VanDerWaalsContact O-N 3.16Å; R152-P156 HydrophobicContact CB-CG 4.1Å; R152-P156 WeakPolarHBondContact O-CD 3.49Å; R152-D505 PolarHBondContact NH1-O 2.62Å; R152-E509 IonicContact CZ-OE1 2.67Å; R152-E509 IonicContact CZ-OE2 3.39Å; R152-E509 IonicContact NH1-OE2 3.19Å; R152-E509 IonicContact NH2-OE1 2.59Å; R152-E509 PolarHBondContact NH2-OE1 2.88Å; R152-E509 IonicContact NH2-OE2 3.3Å; R152-E509 PolarHBondContact NH2-OE2 2.99Å; R152-E509 VanDerWaalsContact NH2-OE2 3.11Å
153	R	98	Very high	97.9	Very high	161 Å²	161	50.2 Å²	50.2	61%	0.608	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	-133.5	178.5	-49.9	-175	177.8	171	-1	112.7	D150 E259 S384	D150-R153 PolarHBondContact O-N 3.48Å; D150-R153 VanDerWaalsContact O-N 3.1Å; R153-E259 WeakPolarHBondContact CB-OE1 3.35Å; R153-S384 WeakPolarHBondContact CA-OG 3.48Å
154	G	98	Very high	97.8	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	6.1	171.5	0	0	0	0	0	115.2	R152 P156 L157 I158 E259	R152-G154 PolarHBondContact O-N 2.92Å; G154-P156 VanDerWaalsContact C-CD 3.5Å; G154-L157 WeakPolarHBondContact O-CB 3.45Å; G154-L157 PolarHBondContact O-N 3.06Å; G154-L157 VanDerWaalsContact O-N 3.1Å; G154-I158 PolarHBondContact O-N 3.45Å; G154-E259 WeakPolarHBondContact CA-OE2 3.5Å; G154-E259 PolarHBondContact N-OE1 2.99Å; G154-E259 PolarHBondContact N-OE2 3.46Å
155	M	98.3	Very high	97.7	Very high	96 Å²	96	48.5 Å²	48.5	47%	0.473	26%	0.263	S	S	.	.	H	α-helix	trans	-58.7	-38.4	-174.2	-65	-57.4	-58.7	0	0	114.8	R152 L157 I158 S159	R152-M155 WeakPolarHBondContact O-CB 3.28Å; R152-M155 PolarHBondContact O-N 3.28Å; R152-M155 VanDerWaalsContact O-N 3.16Å; M155-L157 VanDerWaalsContact C-N 3.33Å; M155-L157 PolarHBondContact O-N 3.46Å; M155-I158 PolarHBondContact O-N 3Å; M155-I158 HydrophobicContact SD-CD1 4.15Å; M155-S159 WeakPolarHBondContact O-CB 3.46Å; M155-S159 PolarHBondContact O-N 2.77Å; M155-S159 PolarHBondContact O-OG 3.44Å
156	P	98.4	Very high	97.6	Very high	12 Å²	12	46.1 Å²	46.1	8%	0.078	25%	0.25	C	S	.	.	H	α-helix	trans	-60.4	-40.9	175.1	-25.7	36.3	0	0	0	112.7	R152 G154 L160 F508	R152-P156 HydrophobicContact CB-CG 4.1Å; R152-P156 WeakPolarHBondContact O-CD 3.49Å; G154-P156 VanDerWaalsContact C-CD 3.5Å; P156-L160 WeakPolarHBondContact O-CB 3.45Å; P156-L160 PolarHBondContact O-N 3.29Å; P156-F508 HydrophobicContact CB-CB 3.8Å; P156-F508 HydrophobicContact CB-CD1 3.29Å; P156-F508 HydrophobicContact CB-CD2 4.13Å; P156-F508 HydrophobicContact CB-CE1 3.81Å; P156-F508 HydrophobicContact CB-CG 3.47Å; P156-F508 VanDerWaalsContact CB-CG 3.47Å; P156-F508 HydrophobicContact CB-CZ 4.41Å; P156-F508 HydrophobicContact CG-CB 4.31Å; P156-F508 HydrophobicContact CG-CG 4.42Å; P156-F508 WeakPolarHBondContact O-CE1 3.22Å
157	L	98.5	Very high	97.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.5	-47.5	175.1	175	64.6	0	0	0	111.2	G154 M155 S159 L160 L161 I256 V376 L379 L383 F508	G154-L157 WeakPolarHBondContact O-CB 3.45Å; G154-L157 PolarHBondContact O-N 3.06Å; G154-L157 VanDerWaalsContact O-N 3.1Å; M155-L157 VanDerWaalsContact C-N 3.33Å; M155-L157 PolarHBondContact O-N 3.46Å; L157-S159 PolarHBondContact O-N 2.71Å; L157-L160 WeakPolarHBondContact O-CA 3.36Å; L157-L160 WeakPolarHBondContact O-CB 3.5Å; L157-L160 PolarHBondContact O-N 2.94Å; L157-L161 HydrophobicContact CD1-CD2 4.36Å; L157-L161 HydrophobicContact CD1-CG 4.33Å; L157-L161 HydrophobicContact CG-CG 4.4Å; L157-L161 WeakPolarHBondContact O-CG 3.42Å; L157-L161 PolarHBondContact O-N 3.46Å; L157-I256 HydrophobicContact CD2-CD1 4.05Å; L157-V376 HydrophobicContact CD1-CG2 4.25Å; L157-V376 HydrophobicContact CD2-CG1 4.01Å; L157-V376 HydrophobicContact CD2-CG2 4.41Å; L157-L379 HydrophobicContact CD1-CB 4.46Å; L157-L379 HydrophobicContact CD1-CD1 3.73Å; L157-L383 HydrophobicContact CB-CD1 3.78Å; L157-L383 HydrophobicContact CB-CD2 4.07Å; L157-L383 HydrophobicContact CD2-CD1 3.72Å; L157-L383 HydrophobicContact CG-CD1 4.37Å; L157-F508 HydrophobicContact CB-CE2 4.29Å; L157-F508 HydrophobicContact CB-CZ 4.09Å; L157-F508 HydrophobicContact CD1-CZ 4.34Å
158	I	98.3	Very high	97.7	Very high	20 Å²	20	38.1 Å²	38.1	10%	0.103	21%	0.205	C	C	.	.	H	α-helix	trans	-56	-41.6	179.6	-72.8	167.7	0	0	0	111.3	G154 M155 L160 L161 I256 E259 R260	G154-I158 PolarHBondContact O-N 3.45Å; M155-I158 PolarHBondContact O-N 3Å; M155-I158 HydrophobicContact SD-CD1 4.15Å; I158-L160 VanDerWaalsContact C-N 3.34Å; I158-L161 PolarHBondContact O-N 3.45Å; I158-I256 HydrophobicContact CD1-CG2 4.42Å; I158-I256 HydrophobicContact CG1-CG2 4.04Å; I158-E259 HydrophobicContact CD1-CB 3.68Å; I158-E259 WeakPolarHBondContact CD1-OE2 3.44Å; I158-R260 HydrophobicContact CD1-CG 4.15Å; I158-R260 HydrophobicContact CG2-CG 4.17Å
159	S	97.8	Very high	97.7	Very high	70 Å²	70	36.8 Å²	36.8	49%	0.49	20%	0.197	S	C	.	.	H	α-helix	trans	-69.4	-32	177.1	-53.9	0	0	0	0	112.4	M155 L157 S162	M155-S159 WeakPolarHBondContact O-CB 3.46Å; M155-S159 PolarHBondContact O-N 2.77Å; M155-S159 PolarHBondContact O-OG 3.44Å; L157-S159 PolarHBondContact O-N 2.71Å; S159-S162 PolarHBondContact O-OG 2.99Å; S159-S162 VanDerWaalsContact O-OG 3.05Å
160	L	98	Very high	97.6	Very high	11 Å²	11	36.1 Å²	36.1	6%	0.058	19%	0.193	C	C	.	.	H	α-helix	trans	-70.9	-36.6	175.9	-176	68.3	0	0	0	112.3	P156 L157 I158 S162 N163 Y195 F375 L379 F508 I512	P156-L160 WeakPolarHBondContact O-CB 3.45Å; P156-L160 PolarHBondContact O-N 3.29Å; L157-L160 WeakPolarHBondContact O-CA 3.36Å; L157-L160 WeakPolarHBondContact O-CB 3.5Å; L157-L160 PolarHBondContact O-N 2.94Å; I158-L160 VanDerWaalsContact C-N 3.34Å; L160-S162 VanDerWaalsContact C-N 3.27Å; L160-S162 PolarHBondContact O-N 2.85Å; L160-N163 WeakPolarHBondContact O-CA 3.48Å; L160-N163 VanDerWaalsContact O-CB 3.28Å; L160-N163 WeakPolarHBondContact O-CB 3.42Å; L160-N163 PolarHBondContact O-N 2.82Å; L160-Y195 HydrophobicContact CD1-CE1 3.78Å; L160-Y195 VanDerWaalsContact CD1-OH 3.26Å; L160-Y195 WeakPolarHBondContact CD1-OH 3.26Å; L160-F375 HydrophobicContact CD2-CE1 3.69Å; L160-F375 HydrophobicContact CD2-CZ 3.83Å; L160-F375 HydrophobicContact CG-CE1 4.36Å; L160-L379 HydrophobicContact CD2-CD1 3.78Å; L160-F508 HydrophobicContact CB-CE1 4.26Å; L160-F508 HydrophobicContact CD2-CE1 3.97Å; L160-F508 HydrophobicContact CD2-CZ 3.84Å; L160-I512 HydrophobicContact CD1-CD1 4.5Å; L160-I512 HydrophobicContact CD1-CG2 4.47Å; L160-I512 HydrophobicContact CD2-CD1 3.6Å; L160-I512 HydrophobicContact CD2-CG1 4.22Å
161	L	97.9	Very high	97.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.4	-36	-174.5	-75.4	178.4	0	0	0	112.9	L157 I158 N163 V164 D166 W167 I256 I372 V376	L157-L161 HydrophobicContact CD1-CD2 4.36Å; L157-L161 HydrophobicContact CD1-CG 4.33Å; L157-L161 HydrophobicContact CG-CG 4.4Å; L157-L161 WeakPolarHBondContact O-CG 3.42Å; L157-L161 PolarHBondContact O-N 3.46Å; I158-L161 PolarHBondContact O-N 3.45Å; L161-N163 PolarHBondContact O-N 3.09Å; L161-V164 HydrophobicContact CD2-CG2 4.3Å; L161-V164 WeakPolarHBondContact O-CG2 3.49Å; L161-V164 PolarHBondContact O-N 3.31Å; L161-D166 WeakPolarHBondContact CB-OD1 3.39Å; L161-D166 WeakPolarHBondContact O-CA 3.46Å; L161-D166 PolarHBondContact O-N 2.76Å; L161-W167 HydrophobicContact CD1-CB 4.31Å; L161-W167 HydrophobicContact CD2-CB 4.46Å; L161-I256 HydrophobicContact CD1-CD1 4.17Å; L161-I372 HydrophobicContact CD2-CG2 3.49Å; L161-I372 VanDerWaalsContact CD2-CG2 3.49Å; L161-V376 HydrophobicContact CD2-CG2 3.93Å
162	S	94.2	Very high	97.1	Very high	59 Å²	59	34.2 Å²	34.2	41%	0.413	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-61.3	-27	175.8	61.3	0	0	0	0	113	S159 L160 V164	S159-S162 PolarHBondContact O-OG 2.99Å; S159-S162 VanDerWaalsContact O-OG 3.05Å; L160-S162 VanDerWaalsContact C-N 3.27Å; L160-S162 PolarHBondContact O-N 2.85Å; S162-V164 PolarHBondContact O-N 3.34Å
163	N	94.9	Very high	96.8	Very high	62 Å²	62	36.3 Å²	36.3	33%	0.332	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-79.4	2.9	176.5	-62.3	-32.7	0	0	0	113.4	L160 L161 Q190	L160-N163 WeakPolarHBondContact O-CA 3.48Å; L160-N163 VanDerWaalsContact O-CB 3.28Å; L160-N163 WeakPolarHBondContact O-CB 3.42Å; L160-N163 PolarHBondContact O-N 2.82Å; L161-N163 PolarHBondContact O-N 3.09Å; N163-Q190 PolarHBondContact O-NE2 3.37Å
164	V	96.4	Very high	96.8	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.018	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-135.7	28.5	179.2	-68.4	0	0	0	0	111.5	L161 S162 D166 Q190 L191 Y195 Q368 I372	L161-V164 HydrophobicContact CD2-CG2 4.3Å; L161-V164 WeakPolarHBondContact O-CG2 3.49Å; L161-V164 PolarHBondContact O-N 3.31Å; S162-V164 PolarHBondContact O-N 3.34Å; V164-D166 VanDerWaalsContact C-N 3.26Å; V164-D166 PolarHBondContact O-N 3.2Å; V164-Q190 HydrophobicContact CG1-CG 4.41Å; V164-L191 HydrophobicContact CB-CD2 4.26Å; V164-L191 HydrophobicContact CG1-CD2 3.9Å; V164-Y195 HydrophobicContact CG1-CD2 4.05Å; V164-Y195 HydrophobicContact CG1-CE2 3.38Å; V164-Q368 PolarHBondContact O-NE2 3.39Å; V164-I372 HydrophobicContact CB-CD1 3.8Å; V164-I372 HydrophobicContact CG2-CD1 3.52Å
165	S	96.4	Very high	96.7	Very high	24 Å²	24	33.2 Å²	33.2	17%	0.168	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	26	-176.9	-51.5	0	0	0	0	114.8	W174	S165-W174 PolarHBondContact O-NE1 3.29Å
166	D	97.7	Very high	96.5	Very high	11 Å²	11	32.3 Å²	32.3	6%	0.059	19%	0.19	C	C	.	.			trans	56.4	170.9	176.6	-146.9	-11.2	0	0	0	115.2	L161 V164 P168 A171 Y178 R260 Q368 I372	L161-D166 WeakPolarHBondContact CB-OD1 3.39Å; L161-D166 WeakPolarHBondContact O-CA 3.46Å; L161-D166 PolarHBondContact O-N 2.76Å; V164-D166 VanDerWaalsContact C-N 3.26Å; V164-D166 PolarHBondContact O-N 3.2Å; D166-P168 WeakPolarHBondContact O-CD 3.35Å; D166-A171 HydrophobicContact CB-CB 4.27Å; D166-A171 WeakPolarHBondContact OD2-CB 3.4Å; D166-Y178 HydrophobicContact CB-CD2 3.97Å; D166-Y178 HydrophobicContact CB-CE2 3.44Å; D166-Y178 VanDerWaalsContact CB-CE2 3.44Å; D166-R260 IonicContact OD1-CZ 2.73Å; D166-R260 IonicContact OD1-NH1 3.63Å; D166-R260 PolarHBondContact OD1-NH1 2.89Å; D166-R260 VanDerWaalsContact OD1-NH1 3.11Å; D166-R260 IonicContact OD1-NH2 2.71Å; D166-R260 PolarHBondContact OD1-NH2 3.39Å; D166-R260 IonicContact OD2-CZ 3.98Å; D166-R260 IonicContact OD2-NH1 3.33Å; D166-R260 PolarHBondContact OD2-NH1 3.45Å; D166-R260 IonicContact OD2-NH2 2.9Å; D166-R260 PolarHBondContact OD2-NH2 2.93Å; D166-Q368 PolarHBondContact O-NE2 3.34Å; D166-Q368 VanDerWaalsContact O-NE2 3.12Å; D166-I372 WeakPolarHBondContact O-CG1 3.39Å
167	W	98.4	Very high	96.4	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.209	C	C	.	.			trans	-97.7	108.9	173.2	-162.7	16.7	0	0	0	109.8	L161 V169 A170 A171 V252 A253 I256 M273 N369 I372 W373 V376	L161-W167 HydrophobicContact CD1-CB 4.31Å; L161-W167 HydrophobicContact CD2-CB 4.46Å; W167-V169 VanDerWaalsContact C-N 3.31Å; W167-V169 HydrophobicContact CD2-CG1 3.61Å; W167-V169 VanDerWaalsContact CE2-CG1 3.42Å; W167-V169 HydrophobicContact CE3-CG1 4.12Å; W167-V169 HydrophobicContact CG-CG1 3.98Å; W167-V169 HydrophobicContact CH2-CG1 4.26Å; W167-V169 HydrophobicContact CZ2-CG1 3.78Å; W167-V169 HydrophobicContact CZ3-CG1 4.41Å; W167-V169 PolarHBondContact O-N 3.41Å; W167-V169 VanDerWaalsContact O-N 3.17Å; W167-A170 HydrophobicContact CB-CB 4.33Å; W167-A170 HydrophobicContact CD2-CB 4.49Å; W167-A170 HydrophobicContact CE3-CB 4.04Å; W167-A170 CarbonylContact O-C 3.59Å; W167-A170 WeakPolarHBondContact O-CA 3.4Å; W167-A170 PolarHBondContact O-N 3Å; W167-A171 WeakPolarHBondContact O-CB 3.41Å; W167-A171 PolarHBondContact O-N 3.39Å; W167-V252 HydrophobicContact CH2-CB 4.49Å; W167-V252 HydrophobicContact CZ3-CB 4.36Å; W167-V252 HydrophobicContact CZ3-CG1 4.04Å; W167-A253 HydrophobicContact CH2-CB 3.92Å; W167-A253 HydrophobicContact CZ3-CB 3.93Å; W167-I256 HydrophobicContact CE3-CD1 3.79Å; W167-I256 HydrophobicContact CZ3-CD1 3.92Å; W167-M273 HydrophobicContact CH2-SD 4.41Å; W167-M273 HydrophobicContact CZ2-CE 4.43Å; W167-M273 HydrophobicContact CZ2-SD 3.73Å; W167-N369 PolarHBondContact NE1-O 3.1Å; W167-I372 HydrophobicContact CB-CB 4.23Å; W167-I372 HydrophobicContact CB-CG2 3.52Å; W167-I372 HydrophobicContact CD2-CG2 4.3Å; W167-I372 HydrophobicContact CG-CB 4.04Å; W167-I372 HydrophobicContact CG-CG2 3.6Å; W167-W373 AromaticContact CH2-CE3 3.7Å; W167-W373 HydrophobicContact CH2-CE3 3.7Å; W167-W373 HydrophobicContact CH2-CZ3 4.22Å; W167-W373 HydrophobicContact CZ2-CB 3.92Å; W167-W373 HydrophobicContact CZ2-CD2 4.43Å; W167-W373 AromaticContact CZ2-CE3 3.81Å; W167-W373 HydrophobicContact CZ2-CE3 3.81Å; W167-V376 HydrophobicContact CE3-CG2 4.44Å; W167-V376 HydrophobicContact CZ3-CG1 4.32Å
168	P	98.5	Very high	96.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-55.1	-39	-170.6	-18.5	16	0	0	0	115.4	D166 A170 A171 W174 R365 Q368 N369	D166-P168 WeakPolarHBondContact O-CD 3.35Å; P168-A170 PolarHBondContact O-N 3.29Å; P168-A171 PolarHBondContact O-N 3.48Å; P168-W174 HydrophobicContact CB-CB 4.15Å; P168-W174 HydrophobicContact CB-CD2 3.83Å; P168-W174 HydrophobicContact CB-CE3 4.37Å; P168-W174 HydrophobicContact CB-CG 3.66Å; P168-W174 HydrophobicContact CG-CD2 3.77Å; P168-W174 HydrophobicContact CG-CE3 4.38Å; P168-W174 HydrophobicContact CG-CG 3.97Å; P168-W174 HydrophobicContact CG-CZ2 4.18Å; P168-R365 VanDerWaalsContact C-NH2 3.28Å; P168-R365 HydrophobicContact CB-CG 3.5Å; P168-R365 VanDerWaalsContact CB-CG 3.5Å; P168-R365 HydrophobicContact CG-CG 4Å; P168-R365 PolarHBondContact O-NH2 2.95Å; P168-Q368 HydrophobicContact CG-CB 3.8Å; P168-Q368 HydrophobicContact CG-CG 3.71Å; P168-N369 WeakPolarHBondContact CB-OD1 3.29Å; P168-N369 VanDerWaalsContact CD-OD1 3.27Å; P168-N369 WeakPolarHBondContact CD-OD1 3.3Å; P168-N369 WeakPolarHBondContact CG-OD1 3.34Å
169	V	98.4	Very high	96	Very high	10 Å²	10	37.9 Å²	37.9	6%	0.061	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-63.1	-24.2	177.6	70.2	0	0	0	0	112.6	W167 A253 I269 E272 M273 N369	W167-V169 VanDerWaalsContact C-N 3.31Å; W167-V169 HydrophobicContact CD2-CG1 3.61Å; W167-V169 VanDerWaalsContact CE2-CG1 3.42Å; W167-V169 HydrophobicContact CE3-CG1 4.12Å; W167-V169 HydrophobicContact CG-CG1 3.98Å; W167-V169 HydrophobicContact CH2-CG1 4.26Å; W167-V169 HydrophobicContact CZ2-CG1 3.78Å; W167-V169 HydrophobicContact CZ3-CG1 4.41Å; W167-V169 PolarHBondContact O-N 3.41Å; W167-V169 VanDerWaalsContact O-N 3.17Å; V169-A253 HydrophobicContact CG1-CB 3.93Å; V169-A253 HydrophobicContact CG2-CB 4.38Å; V169-I269 HydrophobicContact CG2-CB 4.32Å; V169-I269 HydrophobicContact CG2-CG1 4.23Å; V169-I269 HydrophobicContact CG2-CG2 4Å; V169-E272 HydrophobicContact CG2-CB 4.08Å; V169-M273 HydrophobicContact CB-CE 3.72Å; V169-M273 HydrophobicContact CG1-CE 3.7Å; V169-M273 HydrophobicContact CG1-SD 4.22Å; V169-M273 HydrophobicContact CG2-CE 3.85Å; V169-N369 PolarHBondContact N-OD1 2.9Å
170	A	97.4	Very high	95.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-112.6	16.8	-176.8	0	0	0	0	0	113.3	W167 P168 I256 L257 R260	W167-A170 HydrophobicContact CB-CB 4.33Å; W167-A170 HydrophobicContact CD2-CB 4.49Å; W167-A170 HydrophobicContact CE3-CB 4.04Å; W167-A170 CarbonylContact O-C 3.59Å; W167-A170 WeakPolarHBondContact O-CA 3.4Å; W167-A170 PolarHBondContact O-N 3Å; P168-A170 PolarHBondContact O-N 3.29Å; A170-I256 HydrophobicContact CB-CB 4.06Å; A170-I256 HydrophobicContact CB-CG2 3.64Å; A170-L257 HydrophobicContact CB-CG 4.22Å; A170-R260 WeakPolarHBondContact O-CD 3.18Å; A170-R260 PolarHBondContact O-NH1 2.79Å
171	A	95.5	Very high	95.5	Very high	10 Å²	10	44.2 Å²	44.2	8%	0.083	26%	0.262	C	S	.	.	S	Bend	trans	-129.9	139.1	-177.9	0	0	0	0	0	111.7	D166 W167 P168 W174	D166-A171 HydrophobicContact CB-CB 4.27Å; D166-A171 WeakPolarHBondContact OD2-CB 3.4Å; W167-A171 WeakPolarHBondContact O-CB 3.41Å; W167-A171 PolarHBondContact O-N 3.39Å; P168-A171 PolarHBondContact O-N 3.48Å; A171-W174 HydrophobicContact CB-CB 4.44Å
172	D	90.2	Very high	95.4	Very high	95 Å²	95	45 Å²	45	51%	0.508	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	138.7	172.3	-83.9	-23.7	0	0	0	111.1	W174 I262	D172-W174 PolarHBondContact O-N 2.88Å; D172-W174 VanDerWaalsContact O-N 3.1Å; D172-I262 HydrophobicContact CB-CD1 4.44Å; D172-I262 WeakPolarHBondContact OD1-CG2 3.49Å
173	N	91.4	Very high	95.4	Very high	118 Å²	118	43.3 Å²	43.3	63%	0.631	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	34.9	173.8	-56.2	-48.2	0	0	0	114.8	E175 S176 S177	N173-E175 PolarHBondContact O-N 3.06Å; N173-E175 VanDerWaalsContact O-N 3.08Å; N173-S176 WeakPolarHBondContact CB-OG 3.27Å; N173-S176 PolarHBondContact O-N 3.49Å; N173-S176 PolarHBondContact O-OG 3.39Å; N173-S177 PolarHBondContact O-N 3.33Å; N173-S177 VanDerWaalsContact O-N 3.15Å; N173-S177 PolarHBondContact O-OG 3.33Å
174	W	97.1	Very high	95.4	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.011	24%	0.239	C	C	.	.	H	α-helix	trans	-49.3	-38.8	-175.9	-177.7	88.9	0	0	0	113.6	S165 P168 A171 D172 S176 S177 Y178 G179 W182 P364 R365 Q368	S165-W174 PolarHBondContact O-NE1 3.29Å; P168-W174 HydrophobicContact CB-CB 4.15Å; P168-W174 HydrophobicContact CB-CD2 3.83Å; P168-W174 HydrophobicContact CB-CE3 4.37Å; P168-W174 HydrophobicContact CB-CG 3.66Å; P168-W174 HydrophobicContact CG-CD2 3.77Å; P168-W174 HydrophobicContact CG-CE3 4.38Å; P168-W174 HydrophobicContact CG-CG 3.97Å; P168-W174 HydrophobicContact CG-CZ2 4.18Å; A171-W174 HydrophobicContact CB-CB 4.44Å; D172-W174 PolarHBondContact O-N 2.88Å; D172-W174 VanDerWaalsContact O-N 3.1Å; W174-S176 VanDerWaalsContact C-N 3.28Å; W174-S176 PolarHBondContact O-N 2.8Å; W174-S177 PolarHBondContact O-N 2.98Å; W174-Y178 AromaticContact CD1-CD2 3.55Å; W174-Y178 HydrophobicContact CG-CD2 4.26Å; W174-Y178 AromaticContact NE1-CD2 3.8Å; W174-Y178 PolarHBondContact O-N 2.97Å; W174-G179 PolarHBondContact O-N 3.17Å; W174-W182 HydrophobicContact CH2-CB 4.41Å; W174-W182 HydrophobicContact CH2-CG 4.16Å; W174-W182 AromaticContact CZ2-CD1 3.89Å; W174-W182 HydrophobicContact CZ2-CG 4.37Å; W174-P364 HydrophobicContact CH2-CB 4.21Å; W174-P364 HydrophobicContact CZ3-CB 4.44Å; W174-R365 HydrophobicContact CE3-CB 4.13Å; W174-R365 HydrophobicContact CE3-CG 4.15Å; W174-R365 HydrophobicContact CZ3-CB 3.93Å; W174-R365 HydrophobicContact CZ3-CG 4.43Å; W174-Q368 HydrophobicContact CH2-CB 4.18Å; W174-Q368 HydrophobicContact CZ2-CB 3.79Å; W174-Q368 HydrophobicContact CZ2-CG 3.63Å
175	E	95.8	Very high	95.4	Very high	94 Å²	94	41.3 Å²	41.3	44%	0.439	24%	0.242	S	C	.	.	I	π-helix	trans	-57.9	-41.8	179.2	-67.9	70.5	-154.9	0	0	111.7	N173 G179 T180 R365	N173-E175 PolarHBondContact O-N 3.06Å; N173-E175 VanDerWaalsContact O-N 3.08Å; E175-G179 CarbonylContact O-C 3.28Å; E175-G179 VanDerWaalsContact O-CA 3.29Å; E175-G179 WeakPolarHBondContact O-CA 3.44Å; E175-G179 PolarHBondContact O-N 3.09Å; E175-T180 PolarHBondContact O-N 2.93Å; E175-T180 VanDerWaalsContact O-N 3.15Å; E175-R365 VanDerWaalsContact OE1-CD 3.28Å; E175-R365 WeakPolarHBondContact OE1-CD 3.25Å; E175-R365 IonicContact OE1-CZ 3.97Å; E175-R365 IonicContact OE1-NE 3.02Å; E175-R365 IonicContact OE1-NH1 2.9Å; E175-R365 PolarHBondContact OE1-NH1 3.45Å; E175-R365 IonicContact OE2-NH1 3.97Å
176	S	95.6	Very high	95.3	Very high	77 Å²	77	42.7 Å²	42.7	54%	0.538	25%	0.25	S	C	.	.	I	π-helix	trans	-78.3	-39.1	-180	69.9	0	0	0	0	112.6	N173 W174	N173-S176 WeakPolarHBondContact CB-OG 3.27Å; N173-S176 PolarHBondContact O-N 3.49Å; N173-S176 PolarHBondContact O-OG 3.39Å; W174-S176 VanDerWaalsContact C-N 3.28Å; W174-S176 PolarHBondContact O-N 2.8Å
177	S	95.8	Very high	95.3	Very high	68 Å²	68	42.3 Å²	42.3	48%	0.476	25%	0.248	S	C	.	.	I	π-helix	trans	-78.6	-36.3	-175.3	-58.7	0	0	0	0	113.5	N173 W174	N173-S177 PolarHBondContact O-N 3.33Å; N173-S177 VanDerWaalsContact O-N 3.15Å; N173-S177 PolarHBondContact O-OG 3.33Å; W174-S177 PolarHBondContact O-N 2.98Å
178	Y	96	Very high	95.3	Very high	57 Å²	57	42.4 Å²	42.4	22%	0.224	25%	0.248	C	C	.	.	I	π-helix	trans	-129.9	-39.2	-173.1	-58.7	-73.5	0	0	0	112.4	D166 W174 T180 T181 W182	D166-Y178 HydrophobicContact CB-CD2 3.97Å; D166-Y178 HydrophobicContact CB-CE2 3.44Å; D166-Y178 VanDerWaalsContact CB-CE2 3.44Å; W174-Y178 AromaticContact CD1-CD2 3.55Å; W174-Y178 HydrophobicContact CG-CD2 4.26Å; W174-Y178 AromaticContact NE1-CD2 3.8Å; W174-Y178 PolarHBondContact O-N 2.97Å; Y178-T180 VanDerWaalsContact C-N 3.28Å; Y178-T180 PolarHBondContact O-N 3.36Å; Y178-T181 PolarHBondContact O-N 2.98Å; Y178-T181 PolarHBondContact O-OG1 3.41Å; Y178-W182 WeakPolarHBondContact O-CB 3.42Å; Y178-W182 PolarHBondContact O-N 3.47Å
179	G	93.2	Very high	95.3	Very high	23 Å²	23	42.5 Å²	42.5	24%	0.237	25%	0.249	C	C	.	.	I	π-helix	trans	-59.9	-31	-173	0	0	0	0	0	114.9	W174 E175	W174-G179 PolarHBondContact O-N 3.17Å; E175-G179 CarbonylContact O-C 3.28Å; E175-G179 VanDerWaalsContact O-CA 3.29Å; E175-G179 WeakPolarHBondContact O-CA 3.44Å; E175-G179 PolarHBondContact O-N 3.09Å
180	T	91.9	Very high	95.2	Very high	106 Å²	106	45 Å²	45	65%	0.65	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-37.4	178.8	55	0	0	0	0	113.3	E175 Y178	E175-T180 PolarHBondContact O-N 2.93Å; E175-T180 VanDerWaalsContact O-N 3.15Å; Y178-T180 VanDerWaalsContact C-N 3.28Å; Y178-T180 PolarHBondContact O-N 3.36Å
181	T	92.1	Very high	95.3	Very high	108 Å²	108	45.1 Å²	45.1	66%	0.663	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-10.2	179.3	52.8	0	0	0	0	113.3	Y178 T183	Y178-T181 PolarHBondContact O-N 2.98Å; Y178-T181 PolarHBondContact O-OG1 3.41Å; T181-T183 PolarHBondContact O-N 3.36Å
182	W	95.4	Very high	95.4	Very high	16 Å²	16	44.6 Å²	44.6	6%	0.061	26%	0.257	C	S	.	.			trans	-62.2	132.8	-175.8	-172.6	95.2	0	0	0	111.6	W174 Y178 A184 A187 I316 P364 I367 M371	W174-W182 HydrophobicContact CH2-CB 4.41Å; W174-W182 HydrophobicContact CH2-CG 4.16Å; W174-W182 AromaticContact CZ2-CD1 3.89Å; W174-W182 HydrophobicContact CZ2-CG 4.37Å; Y178-W182 WeakPolarHBondContact O-CB 3.42Å; Y178-W182 PolarHBondContact O-N 3.47Å; W182-A184 HydrophobicContact CH2-CB 3.76Å; W182-A184 HydrophobicContact CZ2-CB 4.47Å; W182-A184 HydrophobicContact CZ3-CB 4.1Å; W182-A187 HydrophobicContact CZ2-CB 4.18Å; W182-A187 VanDerWaalsContact NE1-CB 3.35Å; W182-I316 HydrophobicContact CH2-CG2 4.18Å; W182-I316 HydrophobicContact CZ3-CG2 4.05Å; W182-P364 HydrophobicContact CD2-CB 4.03Å; W182-P364 HydrophobicContact CE3-CB 3.59Å; W182-P364 HydrophobicContact CE3-CG 4.07Å; W182-P364 HydrophobicContact CH2-CB 4.32Å; W182-P364 HydrophobicContact CZ3-CB 3.76Å; W182-P364 HydrophobicContact CZ3-CG 4.03Å; W182-I367 HydrophobicContact CH2-CB 4.48Å; W182-I367 HydrophobicContact CH2-CG2 4.2Å; W182-I367 HydrophobicContact CZ2-CG2 4.16Å; W182-M371 HydrophobicContact CZ2-CE 3.78Å
183	T	95.1	Very high	95.7	Very high	24 Å²	24	40.7 Å²	40.7	15%	0.147	24%	0.237	C	C	.	.			trans	-135.3	145.3	165.1	90.5	0	0	0	0	109.3	T181 E185 T186 A187	T181-T183 PolarHBondContact O-N 3.36Å; T183-E185 VanDerWaalsContact C-N 3.28Å; T183-E185 WeakPolarHBondContact CB-OE2 3.47Å; T183-E185 PolarHBondContact O-N 2.95Å; T183-E185 PolarHBondContact OG1-OE2 2.93Å; T183-T186 PolarHBondContact O-N 3.06Å; T183-T186 PolarHBondContact O-OG1 2.9Å; T183-T186 VanDerWaalsContact O-OG1 3.08Å; T183-T186 PolarHBondContact OG1-N 3.05Å; T183-T186 PolarHBondContact OG1-OG1 2.8Å; T183-A187 WeakPolarHBondContact O-CB 3.24Å; T183-A187 PolarHBondContact O-N 2.83Å
184	A	95.2	Very high	95.9	Very high	5 Å²	5	40.2 Å²	40.2	4%	0.041	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-38.8	-179.5	0	0	0	0	0	112.1	W182 T186 I188 I316 F321	W182-A184 HydrophobicContact CH2-CB 3.76Å; W182-A184 HydrophobicContact CZ2-CB 4.47Å; W182-A184 HydrophobicContact CZ3-CB 4.1Å; A184-T186 VanDerWaalsContact C-N 3.33Å; A184-T186 PolarHBondContact O-N 3.18Å; A184-I188 HydrophobicContact CB-CD1 4.31Å; A184-I188 VanDerWaalsContact O-CB 3.32Å; A184-I188 WeakPolarHBondContact O-CB 3.36Å; A184-I188 WeakPolarHBondContact O-CD1 3.39Å; A184-I188 WeakPolarHBondContact O-CG1 3.3Å; A184-I188 PolarHBondContact O-N 3.4Å; A184-I316 HydrophobicContact CB-CD1 3.26Å; A184-I316 HydrophobicContact CB-CG1 4.45Å; A184-F321 HydrophobicContact CB-CD2 4.01Å; A184-F321 HydrophobicContact CB-CE2 4.01Å
185	E	96.4	Very high	96	Very high	18 Å²	18	40.3 Å²	40.3	8%	0.084	23%	0.227	C	C	.	.	H	α-helix	trans	-59	-46	179.2	-52.9	87.8	161.2	0	0	111.2	T183 A189 F321 N322 K325 F326	T183-E185 VanDerWaalsContact C-N 3.28Å; T183-E185 WeakPolarHBondContact CB-OE2 3.47Å; T183-E185 PolarHBondContact O-N 2.95Å; T183-E185 PolarHBondContact OG1-OE2 2.93Å; E185-A189 WeakPolarHBondContact O-CB 3.41Å; E185-A189 PolarHBondContact O-N 3.3Å; E185-F321 HydrophobicContact CB-CE2 4.25Å; E185-F321 HydrophobicContact CB-CZ 4.48Å; E185-F321 HydrophobicContact CG-CD2 3.88Å; E185-F321 HydrophobicContact CG-CE1 4.48Å; E185-F321 HydrophobicContact CG-CE2 3.74Å; E185-F321 HydrophobicContact CG-CG 4.33Å; E185-F321 HydrophobicContact CG-CZ 4.06Å; E185-N322 PolarHBondContact OE1-N 2.79Å; E185-N322 VanDerWaalsContact OE1-N 3.1Å; E185-K325 HydrophobicContact CB-CD 4.44Å; E185-K325 HydrophobicContact CB-CG 4.44Å; E185-K325 HydrophobicContact CG-CD 4.42Å; E185-F326 HydrophobicContact CB-CB 3.95Å; E185-F326 HydrophobicContact CG-CB 4.18Å
186	T	95.1	Very high	96.1	Very high	54 Å²	54	36.7 Å²	36.7	33%	0.331	21%	0.214	S	C	.	.	H	α-helix	trans	-77	-40.7	-176	53.8	0	0	0	0	111.9	T183 A184 A189 Q190	T183-T186 PolarHBondContact O-N 3.06Å; T183-T186 PolarHBondContact O-OG1 2.9Å; T183-T186 VanDerWaalsContact O-OG1 3.08Å; T183-T186 PolarHBondContact OG1-N 3.05Å; T183-T186 PolarHBondContact OG1-OG1 2.8Å; A184-T186 VanDerWaalsContact C-N 3.33Å; A184-T186 PolarHBondContact O-N 3.18Å; T186-A189 PolarHBondContact O-N 2.97Å; T186-Q190 VanDerWaalsContact O-CB 3.23Å; T186-Q190 WeakPolarHBondContact O-CB 3.48Å; T186-Q190 PolarHBondContact O-N 3.3Å
187	A	97.1	Very high	96.2	Very high	3 Å²	3	34.2 Å²	34.2	3%	0.025	19%	0.194	C	C	.	.	H	α-helix	trans	-65.7	-45.2	179	0	0	0	0	0	112.4	W182 T183 Q190 L191 M371	W182-A187 HydrophobicContact CZ2-CB 4.18Å; W182-A187 VanDerWaalsContact NE1-CB 3.35Å; T183-A187 WeakPolarHBondContact O-CB 3.24Å; T183-A187 PolarHBondContact O-N 2.83Å; A187-Q190 PolarHBondContact O-N 2.93Å; A187-L191 PolarHBondContact O-N 3.17Å; A187-M371 HydrophobicContact CB-CE 3.74Å
188	I	97.9	Very high	96.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-66.3	-45.1	175.2	-58.6	165.2	0	0	0	109.9	A184 Q190 L191 N192 L200 I201 F321 F326 M371	A184-I188 HydrophobicContact CB-CD1 4.31Å; A184-I188 VanDerWaalsContact O-CB 3.32Å; A184-I188 WeakPolarHBondContact O-CB 3.36Å; A184-I188 WeakPolarHBondContact O-CD1 3.39Å; A184-I188 WeakPolarHBondContact O-CG1 3.3Å; A184-I188 PolarHBondContact O-N 3.4Å; I188-Q190 VanDerWaalsContact C-N 3.3Å; I188-Q190 PolarHBondContact O-N 2.91Å; I188-L191 PolarHBondContact O-N 3.41Å; I188-N192 WeakPolarHBondContact O-CB 3.4Å; I188-N192 PolarHBondContact O-N 2.91Å; I188-L200 HydrophobicContact CD1-CB 4.29Å; I188-L200 HydrophobicContact CD1-CD1 3.87Å; I188-L200 HydrophobicContact CG1-CD1 4.12Å; I188-I201 HydrophobicContact CD1-CD1 4.47Å; I188-F321 HydrophobicContact CD1-CE2 4.07Å; I188-F326 HydrophobicContact CB-CD2 4.48Å; I188-F326 HydrophobicContact CB-CE2 3.95Å; I188-F326 HydrophobicContact CG2-CE2 3.59Å; I188-F326 HydrophobicContact CG2-CZ 4.06Å; I188-M371 HydrophobicContact CG1-SD 3.59Å; I188-M371 VanDerWaalsContact CG1-SD 3.59Å
189	A	98.3	Very high	96.4	Very high	2 Å²	2	30.8 Å²	30.8	2%	0.017	17%	0.172	C	C	.	.	H	α-helix	trans	-60.9	-38	179.7	0	0	0	0	0	112.5	E185 T186 N192 S193 F326 A329 I330	E185-A189 WeakPolarHBondContact O-CB 3.41Å; E185-A189 PolarHBondContact O-N 3.3Å; T186-A189 PolarHBondContact O-N 2.97Å; A189-N192 PolarHBondContact O-N 2.83Å; A189-S193 VanDerWaalsContact O-CB 3.24Å; A189-S193 WeakPolarHBondContact O-CB 3.49Å; A189-S193 PolarHBondContact O-N 3.03Å; A189-S193 PolarHBondContact O-OG 2.93Å; A189-F326 HydrophobicContact CB-CD2 4.06Å; A189-F326 HydrophobicContact CB-CE2 4.24Å; A189-A329 HydrophobicContact CB-CB 3.61Å; A189-I330 HydrophobicContact CB-CD1 4.35Å; A189-I330 HydrophobicContact CB-CG1 3.56Å
190	Q	97.3	Very high	96.6	Very high	63 Å²	63	29.7 Å²	29.7	29%	0.294	16%	0.16	S	C	.	.	H	α-helix	trans	-66	-42.1	-179.1	-173	167.6	31.8	0	0	112.4	N163 V164 T186 A187 I188 R194	N163-Q190 PolarHBondContact O-NE2 3.37Å; V164-Q190 HydrophobicContact CG1-CG 4.41Å; T186-Q190 VanDerWaalsContact O-CB 3.23Å; T186-Q190 WeakPolarHBondContact O-CB 3.48Å; T186-Q190 PolarHBondContact O-N 3.3Å; A187-Q190 PolarHBondContact O-N 2.93Å; I188-Q190 VanDerWaalsContact C-N 3.3Å; I188-Q190 PolarHBondContact O-N 2.91Å; Q190-R194 WeakPolarHBondContact O-CB 3.43Å; Q190-R194 PolarHBondContact O-N 2.92Å
191	L	98.6	Very high	96.9	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-65.8	-42	173.5	-74.6	170.4	0	0	0	111.6	V164 A187 I188 Y195 G196 K197 V199 M371 I372 F375	V164-L191 HydrophobicContact CB-CD2 4.26Å; V164-L191 HydrophobicContact CG1-CD2 3.9Å; A187-L191 PolarHBondContact O-N 3.17Å; I188-L191 PolarHBondContact O-N 3.41Å; L191-Y195 HydrophobicContact CD2-CD2 4.46Å; L191-Y195 CarbonylContact O-C 3.51Å; L191-Y195 PolarHBondContact O-N 3.33Å; L191-G196 PolarHBondContact O-N 3.43Å; L191-K197 CarbonylContact C-O 3.52Å; L191-K197 VanDerWaalsContact C-O 3.26Å; L191-K197 HydrophobicContact CB-CB 4.35Å; L191-K197 PolarHBondContact O-N 3Å; L191-K197 VanDerWaalsContact O-N 3.08Å; L191-V199 HydrophobicContact CD1-CG2 3.79Å; L191-M371 HydrophobicContact CD1-CB 3.84Å; L191-I372 HydrophobicContact CD1-CD1 4.23Å; L191-I372 HydrophobicContact CD2-CD1 4.2Å; L191-F375 HydrophobicContact CD2-CB 4.08Å; L191-F375 HydrophobicContact CD2-CD1 3.69Å; L191-F375 HydrophobicContact CD2-CE1 4.3Å; L191-F375 HydrophobicContact CD2-CG 3.97Å
192	N	98.5	Very high	97.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-68.2	-56.8	-179.1	-171.7	-60.1	0	0	0	112.2	I188 A189 R194 G196 K197 F203 I330 Q519	I188-N192 WeakPolarHBondContact O-CB 3.4Å; I188-N192 PolarHBondContact O-N 2.91Å; A189-N192 PolarHBondContact O-N 2.83Å; N192-R194 PolarHBondContact O-N 3.43Å; N192-G196 WeakPolarHBondContact O-CA 3.33Å; N192-G196 PolarHBondContact O-N 3.43Å; N192-K197 VanDerWaalsContact CA-O 3.25Å; N192-K197 WeakPolarHBondContact CA-O 3.34Å; N192-K197 PolarHBondContact N-O 3.25Å; N192-F203 PolarHBondContact ND2-O 3.48Å; N192-I330 HydrophobicContact CB-CD1 3.94Å; N192-I330 HydrophobicContact CB-CG1 4.43Å; N192-Q519 VanDerWaalsContact O-CG 3.26Å; N192-Q519 WeakPolarHBondContact O-CG 3.12Å; N192-Q519 PolarHBondContact O-NE2 3.37Å; N192-Q519 PolarHBondContact OD1-NE2 3.07Å
193	S	97.1	Very high	97.3	Very high	13 Å²	13	20 Å²	20	9%	0.091	10%	0.102	C	C	.	.	H	α-helix	trans	-71.8	-33	-168.6	69.5	0	0	0	0	113.5	A189 T333 Q519	A189-S193 VanDerWaalsContact O-CB 3.24Å; A189-S193 WeakPolarHBondContact O-CB 3.49Å; A189-S193 PolarHBondContact O-N 3.03Å; A189-S193 PolarHBondContact O-OG 2.93Å; S193-T333 WeakPolarHBondContact OG-CG2 3.45Å; S193-Q519 WeakPolarHBondContact O-CG 3.39Å
194	R	95.5	Very high	97.5	Very high	108 Å²	108	20.8 Å²	20.8	41%	0.408	10%	0.103	S	C	.	.	H	α-helix	trans	-95.1	-37	-176.7	-166.8	170.1	177.9	174.8	-1.4	113.2	Q190 N192 V516	Q190-R194 WeakPolarHBondContact O-CB 3.43Å; Q190-R194 PolarHBondContact O-N 2.92Å; N192-R194 PolarHBondContact O-N 3.43Å; R194-V516 HydrophobicContact CG-CG2 3.94Å; R194-V516 VanDerWaalsContact O-CA 3.24Å; R194-V516 WeakPolarHBondContact O-CA 3.42Å; R194-V516 WeakPolarHBondContact O-CG2 3.09Å
195	Y	97.6	Very high	97.7	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.016	10%	0.103	C	C	.	.	H	α-helix	trans	-119.1	2.2	-172.7	-50.1	-69.1	0	0	0	113.4	L160 V164 L191 K197 F375 I512	L160-Y195 HydrophobicContact CD1-CE1 3.78Å; L160-Y195 VanDerWaalsContact CD1-OH 3.26Å; L160-Y195 WeakPolarHBondContact CD1-OH 3.26Å; V164-Y195 HydrophobicContact CG1-CD2 4.05Å; V164-Y195 HydrophobicContact CG1-CE2 3.38Å; L191-Y195 HydrophobicContact CD2-CD2 4.46Å; L191-Y195 CarbonylContact O-C 3.51Å; L191-Y195 PolarHBondContact O-N 3.33Å; Y195-K197 PolarHBondContact O-N 3Å; Y195-K197 VanDerWaalsContact O-N 3.11Å; Y195-F375 AromaticContact CD1-CZ 3.82Å; Y195-F375 HydrophobicContact CD1-CZ 3.82Å; Y195-F375 AromaticContact CD2-CE1 4Å; Y195-F375 HydrophobicContact CD2-CE1 4Å; Y195-F375 AromaticContact CD2-CZ 3.9Å; Y195-F375 HydrophobicContact CD2-CZ 3.9Å; Y195-F375 HydrophobicContact CE1-CZ 4.41Å; Y195-F375 HydrophobicContact CE2-CE1 4.33Å; Y195-F375 HydrophobicContact CE2-CZ 4.49Å; Y195-F375 HydrophobicContact CG-CE1 4.1Å; Y195-F375 HydrophobicContact CG-CE2 4.15Å; Y195-F375 AromaticContact CG-CZ 3.52Å; Y195-F375 HydrophobicContact CG-CZ 3.52Å; Y195-I512 HydrophobicContact CD1-CD1 4.49Å; Y195-I512 HydrophobicContact CD1-CG2 4.19Å; Y195-I512 HydrophobicContact CE1-CG2 3.77Å
196	G	97.7	Very high	97.8	Very high	18 Å²	18	20.7 Å²	20.7	19%	0.186	11%	0.106	C	C	.	.			trans	68	6.2	-178.2	0	0	0	0	0	114.2	L191 N192 K198	L191-G196 PolarHBondContact O-N 3.43Å; N192-G196 WeakPolarHBondContact O-CA 3.33Å; N192-G196 PolarHBondContact O-N 3.43Å; G196-K198 WeakPolarHBondContact O-CG 3.34Å; G196-K198 PolarHBondContact O-NZ 3.4Å; G196-K198 VanDerWaalsContact O-NZ 3.12Å
197	K	98.3	Very high	97.9	Very high	25 Å²	25	19.4 Å²	19.4	11%	0.109	10%	0.098	C	C	.	.			trans	-84.2	124	-174.9	-174.3	63	176.9	-165.6	0	110.6	L191 N192 Y195 V199 R374 F375 D378	L191-K197 CarbonylContact C-O 3.52Å; L191-K197 VanDerWaalsContact C-O 3.26Å; L191-K197 HydrophobicContact CB-CB 4.35Å; L191-K197 PolarHBondContact O-N 3Å; L191-K197 VanDerWaalsContact O-N 3.08Å; N192-K197 VanDerWaalsContact CA-O 3.25Å; N192-K197 WeakPolarHBondContact CA-O 3.34Å; N192-K197 PolarHBondContact N-O 3.25Å; Y195-K197 PolarHBondContact O-N 3Å; Y195-K197 VanDerWaalsContact O-N 3.11Å; K197-V199 HydrophobicContact CG-CG1 4.18Å; K197-R374 WeakPolarHBondContact CE-O 3.43Å; K197-R374 PolarHBondContact NZ-O 3.48Å; K197-F375 HydrophobicContact CB-CD2 4.25Å; K197-F375 HydrophobicContact CG-CB 4.17Å; K197-F375 HydrophobicContact CG-CD2 4.29Å; K197-D378 IonicContact NZ-OD1 3.71Å; K197-D378 IonicContact NZ-OD2 3.59Å; K197-D378 PolarHBondContact NZ-OD2 3.39Å
198	K	97.8	Very high	98	Very high	53 Å²	53	19.5 Å²	19.5	23%	0.23	10%	0.099	C	C	.	.			trans	-115.1	114	-171.1	-41.7	-173.6	-174.5	56.8	0	108.9	G196 N202 R522	G196-K198 WeakPolarHBondContact O-CG 3.34Å; G196-K198 PolarHBondContact O-NZ 3.4Å; G196-K198 VanDerWaalsContact O-NZ 3.12Å; K198-N202 HydrophobicContact CD-CB 4.49Å; K198-N202 WeakPolarHBondContact CD-OD1 3.3Å; K198-R522 VanDerWaalsContact CE-NH1 3.25Å
199	V	97.9	Very high	98	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.			trans	-135.3	140.8	-173.9	-69.8	0	0	0	0	108.1	L191 K197 I201 Y370 M371 R374	L191-V199 HydrophobicContact CD1-CG2 3.79Å; K197-V199 HydrophobicContact CG-CG1 4.18Å; V199-I201 PolarHBondContact O-N 2.9Å; V199-Y370 HydrophobicContact CB-CE1 4.26Å; V199-M371 HydrophobicContact CB-CB 4.49Å; V199-M371 HydrophobicContact CB-CG 4.11Å; V199-M371 HydrophobicContact CG2-CB 3.91Å; V199-M371 HydrophobicContact CG2-CG 3.57Å; V199-M371 HydrophobicContact CG2-SD 3.84Å; V199-R374 HydrophobicContact CG1-CB 3.71Å; V199-R374 HydrophobicContact CG1-CG 4.2Å
200	L	97.9	Very high	98	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	62.8	-48.2	-173.4	-51	171.4	0	0	0	114.7	I188 I283 Y351 L359 I367 Y370 M371	I188-L200 HydrophobicContact CD1-CB 4.29Å; I188-L200 HydrophobicContact CD1-CD1 3.87Å; I188-L200 HydrophobicContact CG1-CD1 4.12Å; L200-I283 HydrophobicContact CD2-CD1 3.62Å; L200-Y351 WeakPolarHBondContact O-CE1 3.46Å; L200-Y351 PolarHBondContact O-OH 3.45Å; L200-L359 HydrophobicContact CD2-CD2 4.07Å; L200-I367 HydrophobicContact CD1-CG2 3.55Å; L200-Y370 HydrophobicContact CD2-CD1 3.78Å; L200-Y370 HydrophobicContact CD2-CE1 3.52Å; L200-Y370 HydrophobicContact CG-CD1 4.32Å; L200-Y370 HydrophobicContact CG-CE1 4.01Å; L200-M371 HydrophobicContact CD1-CG 4.01Å; L200-M371 HydrophobicContact CD1-SD 3.73Å; L200-M371 HydrophobicContact CG-CG 4.31Å; L200-M371 HydrophobicContact CG-SD 4.47Å
201	I	98.2	Very high	98	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.127	C	C	.	.	S	Bend	trans	-133.7	120.7	-179.3	-59.9	168.8	0	0	0	107.9	I188 V199 F203 I219 F321 W323 F326 L355	I188-I201 HydrophobicContact CD1-CD1 4.47Å; V199-I201 PolarHBondContact O-N 2.9Å; I201-F203 PolarHBondContact O-N 3.1Å; I201-I219 HydrophobicContact CG2-CG2 3.88Å; I201-F321 HydrophobicContact CD1-CE1 4.18Å; I201-F321 HydrophobicContact CD1-CE2 4.48Å; I201-F321 HydrophobicContact CD1-CZ 3.94Å; I201-W323 HydrophobicContact CD1-CH2 3.8Å; I201-W323 HydrophobicContact CD1-CZ3 4.08Å; I201-W323 HydrophobicContact CG1-CH2 4.43Å; I201-W323 HydrophobicContact CG2-CH2 4.06Å; I201-W323 HydrophobicContact CG2-CZ3 3.92Å; I201-F326 HydrophobicContact CG2-CE1 4.22Å; I201-F326 HydrophobicContact CG2-CZ 4.43Å; I201-L355 HydrophobicContact CG1-CD2 4.07Å
202	N	98.5	Very high	98	Very high	26 Å²	26	25.3 Å²	25.3	14%	0.139	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	92.4	175.6	177.4	7.6	0	0	0	110.1	K198 F204 I219 D220 Q221	K198-N202 HydrophobicContact CD-CB 4.49Å; K198-N202 WeakPolarHBondContact CD-OD1 3.3Å; N202-F204 WeakPolarHBondContact OD1-CD1 3.44Å; N202-I219 CarbonylContact O-C 3.45Å; N202-I219 WeakPolarHBondContact O-CA 3.39Å; N202-D220 HydrophobicContact CB-CB 4.11Å; N202-D220 VanDerWaalsContact CB-O 3.27Å; N202-D220 WeakPolarHBondContact CB-O 3.25Å; N202-D220 PolarHBondContact N-O 3.47Å; N202-D220 PolarHBondContact O-N 3.34Å; N202-Q221 VanDerWaalsContact CB-O 3.22Å; N202-Q221 WeakPolarHBondContact CB-O 3.45Å; N202-Q221 PolarHBondContact ND2-O 3.01Å
203	F	98.6	Very high	98	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.6	168.9	175.4	-79.7	0	0	0	110.8	N192 I201 I217 H218 F326 I327 I330 M331 L523	N192-F203 PolarHBondContact ND2-O 3.48Å; I201-F203 PolarHBondContact O-N 3.1Å; F203-I217 HydrophobicContact CD2-CG2 3.78Å; F203-I217 HydrophobicContact CE2-CB 4.25Å; F203-I217 HydrophobicContact CE2-CD1 4.02Å; F203-I217 HydrophobicContact CE2-CG1 4.07Å; F203-I217 HydrophobicContact CE2-CG2 3.24Å; F203-I217 HydrophobicContact CZ-CD1 4.02Å; F203-I217 HydrophobicContact CZ-CG1 3.94Å; F203-I217 HydrophobicContact CZ-CG2 3.91Å; F203-H218 WeakPolarHBondContact CA-O 3.38Å; F203-F326 HydrophobicContact CB-CE1 4.01Å; F203-F326 HydrophobicContact CB-CZ 3.87Å; F203-F326 HydrophobicContact CD2-CE1 4.18Å; F203-F326 HydrophobicContact CG-CE1 4.39Å; F203-F326 HydrophobicContact CG-CZ 4.47Å; F203-I327 HydrophobicContact CD2-CG1 4.12Å; F203-I327 HydrophobicContact CE2-CB 4.27Å; F203-I327 HydrophobicContact CE2-CD1 4.19Å; F203-I327 HydrophobicContact CE2-CG1 3.76Å; F203-I327 HydrophobicContact CE2-CG2 3.9Å; F203-I327 HydrophobicContact CZ-CG2 4.27Å; F203-I330 HydrophobicContact CB-CD1 4.01Å; F203-I330 HydrophobicContact CD1-CD1 3.58Å; F203-I330 HydrophobicContact CD1-CG2 3.97Å; F203-I330 HydrophobicContact CD2-CD1 4.27Å; F203-I330 HydrophobicContact CE1-CB 4.3Å; F203-I330 HydrophobicContact CE1-CD1 4.11Å; F203-I330 HydrophobicContact CE1-CG2 3.6Å; F203-I330 HydrophobicContact CG-CD1 3.7Å; F203-I330 HydrophobicContact CZ-CG2 4.3Å; F203-M331 HydrophobicContact CE1-SD 4.01Å; F203-M331 HydrophobicContact CZ-CG 4.19Å; F203-M331 HydrophobicContact CZ-SD 3.76Å; F203-L523 HydrophobicContact CE1-CD2 3.85Å
204	F	98.7	Very high	98	Very high	41 Å²	41	29.3 Å²	29.3	18%	0.18	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	161	167.9	64.2	-81.1	0	0	0	113.3	N202 H218 Y347	N202-F204 WeakPolarHBondContact OD1-CD1 3.44Å; F204-H218 HydrophobicContact CD1-CB 3.83Å; F204-H218 HydrophobicContact CD2-CB 4.01Å; F204-H218 HydrophobicContact CE1-CB 3.47Å; F204-H218 VanDerWaalsContact CE1-CB 3.47Å; F204-H218 HydrophobicContact CE2-CB 3.65Å; F204-H218 AromaticContact CE2-CG 3.66Å; F204-H218 AromaticContact CE2-ND1 3.73Å; F204-H218 HydrophobicContact CG-CB 4.1Å; F204-H218 HydrophobicContact CZ-CB 3.38Å; F204-H218 AromaticContact CZ-CG 3.71Å; F204-H218 PolarHBondContact N-O 2.67Å; F204-H218 VanDerWaalsContact N-O 3.08Å; F204-H218 PolarHBondContact O-N 3.3Å; F204-Y347 HydrophobicContact CZ-CD2 4.43Å; F204-Y347 AromaticContact CZ-CE2 3.96Å; F204-Y347 HydrophobicContact CZ-CE2 3.96Å
205	V	98.8	Very high	98.2	Very high	6 Å²	6	25.1 Å²	25.1	4%	0.036	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.1	167.6	175.7	0	0	0	0	107.6	H215 I217 M331 R522 L523 K525 L526	V205-H215 HydrophobicContact CG1-CB 3.91Å; V205-I217 HydrophobicContact CG2-CG1 4.45Å; V205-M331 HydrophobicContact CG2-CE 4.3Å; V205-M331 HydrophobicContact CG2-SD 4.23Å; V205-R522 WeakPolarHBondContact O-CG 3.49Å; V205-L523 HydrophobicContact CG2-CD2 3.99Å; V205-K525 HydrophobicContact CG1-CB 4.47Å; V205-L526 HydrophobicContact CG1-CB 3.86Å; V205-L526 HydrophobicContact CG1-CD1 4.24Å; V205-L526 HydrophobicContact CG2-CB 4.06Å; V205-L526 HydrophobicContact CG2-CD1 4.38Å
206	G	98	Very high	98.2	Very high	15 Å²	15	25.3 Å²	25.3	16%	0.155	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	174.8	-179.2	0	0	0	0	0	110.6	H215 I216	G206-H215 CarbonylContact O-C 3.49Å; G206-H215 WeakPolarHBondContact O-CA 3.37Å; G206-H215 WeakPolarHBondContact O-CB 3.3Å; G206-I216 PolarHBondContact N-O 3.07Å; G206-I216 VanDerWaalsContact N-O 3.12Å; G206-I216 PolarHBondContact O-N 2.95Å
207	T	98.3	Very high	98.3	Very high	26 Å²	26	24.4 Å²	24.4	16%	0.16	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	138.8	174.8	-55.3	0	0	0	0	110.5	D209 H218 V530	T207-D209 PolarHBondContact O-N 2.59Å; T207-H218 PolarHBondContact O-CE1 3.21Å; T207-H218 PolarHBondContact O-NE2 2.04Å; T207-V530 HydrophobicContact CG2-CG2 3.98Å
208	D	98.6	Very high	98.3	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.032	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	116.5	170.7	-174.1	-20.6	0	0	0	109.1	K210 N211 S212 A214 I216 Y300 K302	D208-K210 PolarHBondContact O-N 2.69Å; D208-K210 VanDerWaalsContact O-N 3.16Å; D208-K210 PolarHBondContact OD1-N 3.49Å; D208-N211 HydrophobicContact CB-CB 4.27Å; D208-N211 CarbonylContact O-C 3.55Å; D208-N211 PolarHBondContact O-N 2.95Å; D208-N211 VanDerWaalsContact O-O 3.12Å; D208-S212 PolarHBondContact O-N 2.62Å; D208-A214 PolarHBondContact N-O 3.49Å; D208-I216 HydrophobicContact CB-CB 4.04Å; D208-I216 HydrophobicContact CB-CG2 3.62Å; D208-Y300 WeakPolarHBondContact OD1-CE2 3.23Å; D208-Y300 PolarHBondContact OD1-OH 2.99Å; D208-Y300 PolarHBondContact OD2-OH 2.85Å; D208-K302 IonicContact OD2-NZ 3.56Å; D208-K302 PolarHBondContact OD2-NZ 3Å
209	D	97.9	Very high	98.4	Very high	23 Å²	23	20.8 Å²	20.8	12%	0.123	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-34.2	-178.2	-61.5	-42.6	0	0	0	112.3	T207 Y300 Y347 F597 D602 L603	T207-D209 PolarHBondContact O-N 2.59Å; D209-Y300 HydrophobicContact CB-CD2 3.77Å; D209-Y300 HydrophobicContact CB-CE2 3.89Å; D209-Y347 PolarHBondContact OD2-OH 3.35Å; D209-F597 HydrophobicContact CB-CE1 4.11Å; D209-D602 CarbonylContact O-C 3.59Å; D209-D602 WeakPolarHBondContact O-CA 3.43Å; D209-L603 HydrophobicContact CB-CB 3.98Å; D209-L603 HydrophobicContact CB-CD2 4.01Å; D209-L603 VanDerWaalsContact O-CB 3.28Å; D209-L603 WeakPolarHBondContact O-CB 3.27Å; D209-L603 PolarHBondContact O-N 3.21Å
210	K	98.4	Very high	98.4	Very high	100 Å²	100	21.7 Å²	21.7	44%	0.435	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-2.1	178.1	-65.5	-163.6	177.3	-177.8	0	114	D208 Y300 L603	D208-K210 PolarHBondContact O-N 2.69Å; D208-K210 VanDerWaalsContact O-N 3.16Å; D208-K210 PolarHBondContact OD1-N 3.49Å; K210-Y300 HydrophobicContact CB-CE1 4.31Å; K210-Y300 HydrophobicContact CB-CE2 4.36Å; K210-Y300 HydrophobicContact CD-CD1 3.77Å; K210-Y300 HydrophobicContact CD-CE1 3.47Å; K210-Y300 VanDerWaalsContact CD-CE1 3.47Å; K210-Y300 HydrophobicContact CD-CG 4.5Å; K210-Y300 VanDerWaalsContact CE-CD1 3.46Å; K210-Y300 HydrophobicContact CG-CD1 4.05Å; K210-Y300 HydrophobicContact CG-CD2 4.35Å; K210-Y300 HydrophobicContact CG-CE1 3.7Å; K210-Y300 HydrophobicContact CG-CE2 3.99Å; K210-Y300 HydrophobicContact CG-CG 4.37Å; K210-L603 HydrophobicContact CG-CB 4.07Å; K210-L603 HydrophobicContact CG-CD2 4.29Å; K210-L603 HydrophobicContact CG-CG 4.48Å
211	N	98.2	Very high	98.4	Very high	66 Å²	66	23.1 Å²	23.1	35%	0.353	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	83.4	172.7	-179.6	2.6	0	0	0	110.1	D208 T213 A214	D208-N211 HydrophobicContact CB-CB 4.27Å; D208-N211 CarbonylContact O-C 3.55Å; D208-N211 PolarHBondContact O-N 2.95Å; D208-N211 VanDerWaalsContact O-O 3.12Å; N211-T213 PolarHBondContact O-N 3Å; N211-T213 PolarHBondContact OD1-N 3Å; N211-T213 PolarHBondContact OD1-OG1 3.26Å; N211-A214 PolarHBondContact O-N 2.97Å
212	S	97.5	Very high	98.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	-4	-177.2	59.9	0	0	0	0	115.6	D208 V530 K532 S549 N600 G601 D602	D208-S212 PolarHBondContact O-N 2.62Å; S212-V530 WeakPolarHBondContact O-CB 3.36Å; S212-V530 WeakPolarHBondContact O-CG2 3.35Å; S212-K532 WeakPolarHBondContact O-CE 3.39Å; S212-K532 PolarHBondContact OG-NZ 3.04Å; S212-S549 VanDerWaalsContact CB-O 3.31Å; S212-S549 WeakPolarHBondContact CB-O 3.46Å; S212-N600 PolarHBondContact OG-O 3.49Å; S212-G601 WeakPolarHBondContact CB-O 3.32Å; S212-D602 WeakPolarHBondContact CB-OD1 3.37Å; S212-D602 PolarHBondContact N-OD1 3.35Å; S212-D602 PolarHBondContact OG-OD1 2.86Å
213	T	98	Very high	98.4	Very high	67 Å²	67	24.4 Å²	24.4	41%	0.411	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-11.1	175.9	72.1	0	0	0	0	113.3	N211 K529 V530	N211-T213 PolarHBondContact O-N 3Å; N211-T213 PolarHBondContact OD1-N 3Å; N211-T213 PolarHBondContact OD1-OG1 3.26Å; T213-K529 WeakPolarHBondContact O-CA 3.19Å; T213-V530 PolarHBondContact O-N 3.24Å
214	A	98.4	Very high	98.4	Very high	30 Å²	30	25.8 Å²	25.8	25%	0.248	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	159.9	-174.9	0	0	0	0	0	111.7	D208 N211	D208-A214 PolarHBondContact N-O 3.49Å; N211-A214 PolarHBondContact O-N 2.97Å
215	H	98.8	Very high	98.3	Very high	21 Å²	21	24.3 Å²	24.3	10%	0.097	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	150.9	169.1	-60.2	91.8	0	0	0	110.5	V205 G206 K525 E528	V205-H215 HydrophobicContact CG1-CB 3.91Å; G206-H215 CarbonylContact O-C 3.49Å; G206-H215 WeakPolarHBondContact O-CA 3.37Å; G206-H215 WeakPolarHBondContact O-CB 3.3Å; H215-K525 WeakPolarHBondContact CB-O 3.15Å; H215-K525 VanDerWaalsContact CG-O 3.28Å; H215-K525 PolarHBondContact ND1-O 3.18Å; H215-E528 PolarHBondContact ND1-O 2.8Å
216	I	98.8	Very high	98.3	Very high	7 Å²	7	24.1 Å²	24.1	4%	0.036	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	156.9	176.5	-168.5	158.8	0	0	0	110.3	G206 D208 H218 K302 Q343 V345	G206-I216 PolarHBondContact N-O 3.07Å; G206-I216 VanDerWaalsContact N-O 3.12Å; G206-I216 PolarHBondContact O-N 2.95Å; D208-I216 HydrophobicContact CB-CB 4.04Å; D208-I216 HydrophobicContact CB-CG2 3.62Å; I216-H218 WeakPolarHBondContact CG2-CE1 3.2Å; I216-H218 PolarHBondContact O-CE1 3.2Å; I216-H218 PolarHBondContact O-ND1 3.5Å; I216-K302 HydrophobicContact CD1-CD 4.48Å; I216-K302 HydrophobicContact CD1-CG 4.5Å; I216-Q343 HydrophobicContact CD1-CB 3.88Å; I216-Q343 WeakPolarHBondContact CG1-O 3.43Å; I216-V345 HydrophobicContact CD1-CG2 3.83Å; I216-V345 HydrophobicContact CG1-CG2 4.29Å; I216-V345 HydrophobicContact CG2-CG2 3.9Å
217	I	98.9	Very high	98.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	129.2	171.1	-69.5	172.6	0	0	0	109	F203 V205 I219 I327 V338 E342 V344 V345 L526	F203-I217 HydrophobicContact CD2-CG2 3.78Å; F203-I217 HydrophobicContact CE2-CB 4.25Å; F203-I217 HydrophobicContact CE2-CD1 4.02Å; F203-I217 HydrophobicContact CE2-CG1 4.07Å; F203-I217 HydrophobicContact CE2-CG2 3.24Å; F203-I217 HydrophobicContact CZ-CD1 4.02Å; F203-I217 HydrophobicContact CZ-CG1 3.94Å; F203-I217 HydrophobicContact CZ-CG2 3.91Å; V205-I217 HydrophobicContact CG2-CG1 4.45Å; I217-I219 HydrophobicContact CG2-CG1 4.46Å; I217-I327 HydrophobicContact CD1-CG2 3.78Å; I217-I327 HydrophobicContact CG2-CD1 4.49Å; I217-V338 HydrophobicContact CD1-CG1 4.43Å; I217-V338 HydrophobicContact CD1-CG2 4.38Å; I217-E342 HydrophobicContact CD1-CG 4.24Å; I217-V344 HydrophobicContact CB-CB 4.48Å; I217-V344 HydrophobicContact CB-CG1 4.01Å; I217-V344 HydrophobicContact CG2-CB 4.28Å; I217-V344 HydrophobicContact CG2-CG1 3.86Å; I217-V344 CarbonylContact O-C 3.35Å; I217-V344 WeakPolarHBondContact O-CA 3.45Å; I217-V345 PolarHBondContact O-N 2.96Å; I217-L526 HydrophobicContact CD1-CD2 3.93Å; I217-L526 HydrophobicContact CG1-CD1 3.85Å; I217-L526 HydrophobicContact CG1-CD2 3.99Å
218	H	98.9	Very high	98.3	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.009	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	141.9	173.5	-62.8	82.7	0	0	0	110.7	F203 F204 T207 I216 V345 Y347	F203-H218 WeakPolarHBondContact CA-O 3.38Å; F204-H218 HydrophobicContact CD1-CB 3.83Å; F204-H218 HydrophobicContact CD2-CB 4.01Å; F204-H218 HydrophobicContact CE1-CB 3.47Å; F204-H218 VanDerWaalsContact CE1-CB 3.47Å; F204-H218 HydrophobicContact CE2-CB 3.65Å; F204-H218 AromaticContact CE2-CG 3.66Å; F204-H218 AromaticContact CE2-ND1 3.73Å; F204-H218 HydrophobicContact CG-CB 4.1Å; F204-H218 HydrophobicContact CZ-CB 3.38Å; F204-H218 AromaticContact CZ-CG 3.71Å; F204-H218 PolarHBondContact N-O 2.67Å; F204-H218 VanDerWaalsContact N-O 3.08Å; F204-H218 PolarHBondContact O-N 3.3Å; T207-H218 PolarHBondContact O-CE1 3.21Å; T207-H218 PolarHBondContact O-NE2 2.04Å; I216-H218 WeakPolarHBondContact CG2-CE1 3.2Å; I216-H218 PolarHBondContact O-CE1 3.2Å; I216-H218 PolarHBondContact O-ND1 3.5Å; H218-V345 CarbonylContact C-O 3.54Å; H218-V345 VanDerWaalsContact CA-O 3.32Å; H218-V345 WeakPolarHBondContact CA-O 3.47Å; H218-Y347 HydrophobicContact CB-CE2 4.38Å; H218-Y347 AromaticContact CD2-CE2 3.43Å; H218-Y347 VanDerWaalsContact CD2-CE2 3.43Å; H218-Y347 WeakPolarHBondContact CD2-CE2 3.47Å; H218-Y347 AromaticContact CD2-CZ 3.41Å; H218-Y347 VanDerWaalsContact CD2-CZ 3.41Å; H218-Y347 PolarHBondContact CD2-OH 3.06Å; H218-Y347 AromaticContact NE2-CZ 3.92Å; H218-Y347 PolarHBondContact NE2-OH 2.59Å
219	I	98.8	Very high	98.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.5	173.1	-60.5	173.9	0	0	0	108.1	I201 N202 I217 L308 W323 V345 V346 Y347 L352	I201-I219 HydrophobicContact CG2-CG2 3.88Å; N202-I219 CarbonylContact O-C 3.45Å; N202-I219 WeakPolarHBondContact O-CA 3.39Å; I217-I219 HydrophobicContact CG2-CG1 4.46Å; I219-L308 HydrophobicContact CD1-CD1 4.03Å; I219-L308 HydrophobicContact CD1-CD2 3.33Å; I219-L308 HydrophobicContact CD1-CG 4.36Å; I219-W323 HydrophobicContact CD1-CE3 4.08Å; I219-W323 HydrophobicContact CD1-CZ3 3.78Å; I219-W323 HydrophobicContact CG2-CH2 4.12Å; I219-W323 HydrophobicContact CG2-CZ3 4.1Å; I219-V345 PolarHBondContact N-O 2.78Å; I219-V346 HydrophobicContact CB-CG2 4.47Å; I219-V346 CarbonylContact O-C 3.56Å; I219-V346 WeakPolarHBondContact O-CA 3.36Å; I219-Y347 PolarHBondContact O-N 2.86Å; I219-L352 HydrophobicContact CG2-CD1 4.08Å; I219-L352 HydrophobicContact CG2-CD2 4.41Å
220	D	98.8	Very high	98.3	Very high	18 Å²	18	28.2 Å²	28.2	10%	0.096	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	175.4	-176.7	-161.9	8.5	0	0	0	111.8	N202 R293 Y347	N202-D220 HydrophobicContact CB-CB 4.11Å; N202-D220 VanDerWaalsContact CB-O 3.27Å; N202-D220 WeakPolarHBondContact CB-O 3.25Å; N202-D220 PolarHBondContact N-O 3.47Å; N202-D220 PolarHBondContact O-N 3.34Å; D220-R293 VanDerWaalsContact CG-NH2 3.27Å; D220-R293 IonicContact OD1-CZ 3.69Å; D220-R293 IonicContact OD1-NH1 2.76Å; D220-R293 PolarHBondContact OD1-NH1 2.9Å; D220-R293 IonicContact OD1-NH2 3.57Å; D220-R293 PolarHBondContact OD1-NH2 2.99Å; D220-R293 IonicContact OD2-CZ 2.67Å; D220-R293 IonicContact OD2-NH1 2.65Å; D220-R293 IonicContact OD2-NH2 3.26Å; D220-R293 PolarHBondContact OD2-NH2 3.37Å; D220-Y347 HydrophobicContact CB-CD2 4.23Å
221	Q	98.4	Very high	98.3	Very high	31 Å²	31	23.7 Å²	23.7	15%	0.145	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-64.4	146.4	167.2	68.9	-176.7	20.1	0	0	111.6	N202 T287 T288 D348 Y351	N202-Q221 VanDerWaalsContact CB-O 3.22Å; N202-Q221 WeakPolarHBondContact CB-O 3.45Å; N202-Q221 PolarHBondContact ND2-O 3.01Å; Q221-T287 HydrophobicContact CB-CG2 4.24Å; Q221-T287 HydrophobicContact CG-CG2 4.48Å; Q221-T288 PolarHBondContact NE2-O 2.94Å; Q221-T288 VanDerWaalsContact NE2-O 3.15Å; Q221-D348 HydrophobicContact CB-CB 4.43Å; Q221-D348 PolarHBondContact OE1-OD2 3.39Å; Q221-Y351 HydrophobicContact CB-CD1 3.91Å; Q221-Y351 HydrophobicContact CB-CD2 4.15Å; Q221-Y351 HydrophobicContact CB-CE1 4.26Å; Q221-Y351 HydrophobicContact CB-CE2 4.49Å; Q221-Y351 HydrophobicContact CB-CG 3.86Å
222	P	98	Very high	98.3	Very high	6 Å²	6	21.2 Å²	21.2	4%	0.039	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-80	161.3	179.7	35.3	-36.7	0	0	0	112.2	I283 Y351	P222-I283 HydrophobicContact CG-CG2 4.27Å; P222-Y351 VanDerWaalsContact CD-CZ 3.42Å; P222-Y351 VanDerWaalsContact CD-OH 3.25Å; P222-Y351 WeakPolarHBondContact CD-OH 3.41Å
223	G	96.9	Very high	98.3	Very high	47 Å²	47	27.1 Å²	27.1	49%	0.485	16%	0.157	S	C	.	.	P	Polyproline II helix	trans	-73.3	146.5	165.6	0	0	0	0	0	112.1	R374	G223-R374 PolarHBondContact O-NH2 2.9Å
224	L	98.5	Very high	98.4	Very high	30 Å²	30	25 Å²	25	16%	0.157	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-94.9	162.5	-177.9	-57.3	171.9	0	0	0	111.8	L226 R229 Y232 E280 I283 A284 R374	L224-L226 CarbonylContact C-O 3.44Å; L224-R229 HydrophobicContact CD1-CB 4.16Å; L224-Y232 HydrophobicContact CB-CE2 3.83Å; L224-Y232 HydrophobicContact CD1-CD2 4.14Å; L224-Y232 HydrophobicContact CD1-CE2 3.69Å; L224-Y232 HydrophobicContact CG-CE2 4.23Å; L224-E280 HydrophobicContact CD2-CG 4.25Å; L224-I283 HydrophobicContact CD2-CG2 4.06Å; L224-A284 HydrophobicContact CD1-CB 3.64Å; L224-A284 HydrophobicContact CD2-CB 4.1Å; L224-R374 VanDerWaalsContact C-CZ 3.4Å; L224-R374 PolarHBondContact O-NH2 3.48Å
225	G	98.3	Very high	98.3	Very high	9 Å²	9	27.8 Å²	27.8	9%	0.093	16%	0.159	C	C	.	.	S	Bend	trans	-78	-28.9	178.4	0	0	0	0	0	114.8	Y232 Y245 E280	G225-Y232 PolarHBondContact N-OH 2.87Å; G225-Y245 WeakPolarHBondContact CA-OH 3.12Å; G225-E280 PolarHBondContact N-OE1 3.48Å
226	L	98.7	Very high	98.2	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	19%	0.189	C	C	.	.	S	Bend	trans	-89.2	158.6	163.1	-68.6	164.8	0	0	0	110.3	L224 S228 Y231 Y232 A241 Y245 M277 F394 L398	L224-L226 CarbonylContact C-O 3.44Å; L226-S228 VanDerWaalsContact C-N 3.35Å; L226-S228 PolarHBondContact O-N 3.48Å; L226-Y231 HydrophobicContact CB-CD1 4.49Å; L226-Y231 HydrophobicContact CB-CG 4.17Å; L226-Y231 HydrophobicContact CD2-CD1 4.24Å; L226-Y232 HydrophobicContact CB-CD2 4.47Å; L226-Y232 HydrophobicContact CB-CE2 3.69Å; L226-Y232 HydrophobicContact CD1-CD1 4.35Å; L226-Y232 HydrophobicContact CD1-CE1 4.01Å; L226-Y232 HydrophobicContact CD1-CE2 4.25Å; L226-Y232 HydrophobicContact CG-CE2 4.42Å; L226-Y232 PolarHBondContact N-OH 2.94Å; L226-A241 HydrophobicContact CD2-CB 4.16Å; L226-Y245 HydrophobicContact CD1-CD1 4.1Å; L226-Y245 HydrophobicContact CD2-CG 4.27Å; L226-Y245 HydrophobicContact CG-CD1 4.02Å; L226-Y245 HydrophobicContact CG-CE1 4.4Å; L226-Y245 HydrophobicContact CG-CG 4.25Å; L226-M277 HydrophobicContact CD1-CE 4.17Å; L226-F394 HydrophobicContact CD2-CE2 3.71Å; L226-F394 HydrophobicContact CD2-CZ 4.34Å; L226-L398 HydrophobicContact CD2-CD2 4.14Å
227	P	98.2	Very high	98	Very high	43 Å²	43	32.5 Å²	32.5	28%	0.279	21%	0.209	S	C	.	.	S	Bend	trans	-61.7	-34.5	-167.1	-24.5	33.2	0	0	0	115.6	Y231 L398 N705 T709	P227-Y231 HydrophobicContact CB-CD2 4.28Å; P227-Y231 HydrophobicContact CB-CE2 3.92Å; P227-Y231 HydrophobicContact CG-CD2 4.32Å; P227-Y231 HydrophobicContact CG-CE1 4.31Å; P227-Y231 HydrophobicContact CG-CE2 3.9Å; P227-L398 HydrophobicContact CG-CD1 4.04Å; P227-L398 HydrophobicContact CG-CD2 3.72Å; P227-L398 HydrophobicContact CG-CG 4.39Å; P227-N705 WeakPolarHBondContact CB-OD1 3.5Å; P227-N705 WeakPolarHBondContact CG-ND2 3.32Å; P227-T709 HydrophobicContact CB-CG2 3.69Å; P227-T709 WeakPolarHBondContact O-CG2 3.25Å
228	S	98.1	Very high	98	Very high	14 Å²	14	33.3 Å²	33.3	10%	0.098	21%	0.212	C	C	.	.	S	Bend	trans	-143.3	169.3	177.1	81.5	0	0	0	0	111.2	L226 D230 Y231 Y232	L226-S228 VanDerWaalsContact C-N 3.35Å; L226-S228 PolarHBondContact O-N 3.48Å; S228-D230 PolarHBondContact O-N 3.45Å; S228-D230 PolarHBondContact OG-N 2.96Å; S228-D230 PolarHBondContact OG-OD2 3.01Å; S228-Y231 PolarHBondContact O-N 3.46Å; S228-Y232 WeakPolarHBondContact O-CD2 3.25Å
229	R	98.1	Very high	98	Very high	58 Å²	58	39.5 Å²	39.5	22%	0.219	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-59.3	-29.8	173.9	64.5	-174.4	-59.4	-65.8	-3.2	113.2	L224 Y231 Y232 A284 T287	L224-R229 HydrophobicContact CD1-CB 4.16Å; R229-Y231 VanDerWaalsContact C-N 3.27Å; R229-Y231 PolarHBondContact O-N 3.15Å; R229-Y232 WeakPolarHBondContact O-CB 3.26Å; R229-Y232 PolarHBondContact O-N 3.44Å; R229-A284 HydrophobicContact CB-CB 4.42Å; R229-T287 PolarHBondContact NE-O 2.04Å
230	D	97.6	Very high	98	Very high	42 Å²	42	45.5 Å²	45.5	23%	0.225	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-64.5	-32.3	-177.7	-47.2	-86.1	0	0	0	112.3	S228 Y232 E233 Y238	S228-D230 PolarHBondContact O-N 3.45Å; S228-D230 PolarHBondContact OG-N 2.96Å; S228-D230 PolarHBondContact OG-OD2 3.01Å; D230-Y232 PolarHBondContact O-N 3.25Å; D230-Y232 VanDerWaalsContact O-N 3.12Å; D230-E233 WeakPolarHBondContact O-CB 3.08Å; D230-E233 WeakPolarHBondContact O-CG 3Å; D230-E233 PolarHBondContact O-N 3.23Å; D230-E233 VanDerWaalsContact O-N 3.14Å; D230-Y238 HydrophobicContact CB-CE2 4.26Å; D230-Y238 WeakPolarHBondContact O-CD2 3.29Å
231	Y	98.6	Very high	97.9	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.016	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-58.4	-28.5	177.4	-84.8	-101	0	0	0	112.7	L226 P227 S228 R229 E233 C234 Y238 A241 C242 L398 N705	L226-Y231 HydrophobicContact CB-CD1 4.49Å; L226-Y231 HydrophobicContact CB-CG 4.17Å; L226-Y231 HydrophobicContact CD2-CD1 4.24Å; P227-Y231 HydrophobicContact CB-CD2 4.28Å; P227-Y231 HydrophobicContact CB-CE2 3.92Å; P227-Y231 HydrophobicContact CG-CD2 4.32Å; P227-Y231 HydrophobicContact CG-CE1 4.31Å; P227-Y231 HydrophobicContact CG-CE2 3.9Å; S228-Y231 PolarHBondContact O-N 3.46Å; R229-Y231 VanDerWaalsContact C-N 3.27Å; R229-Y231 PolarHBondContact O-N 3.15Å; Y231-E233 PolarHBondContact O-N 3.42Å; Y231-C234 PolarHBondContact O-N 3.43Å; Y231-Y238 AromaticContact CD1-CD1 3.71Å; Y231-Y238 HydrophobicContact CD1-CD1 3.71Å; Y231-Y238 HydrophobicContact CD1-CG 4.36Å; Y231-Y238 HydrophobicContact CD2-CD1 4.05Å; Y231-Y238 HydrophobicContact CD2-CE1 4.11Å; Y231-Y238 AromaticContact CE1-CD1 3.83Å; Y231-Y238 HydrophobicContact CE1-CD1 3.83Å; Y231-Y238 HydrophobicContact CE1-CE1 4.46Å; Y231-Y238 HydrophobicContact CE2-CD1 4.15Å; Y231-Y238 HydrophobicContact CE2-CE1 4.03Å; Y231-Y238 AromaticContact CG-CD1 3.81Å; Y231-Y238 HydrophobicContact CG-CD1 3.81Å; Y231-Y238 HydrophobicContact CG-CE1 4.34Å; Y231-Y238 HydrophobicContact CG-CG 4.42Å; Y231-A241 HydrophobicContact CD1-CB 3.7Å; Y231-A241 HydrophobicContact CE1-CB 3.74Å; Y231-C242 PolarHBondContact O-SG 3.17Å; Y231-L398 HydrophobicContact CD1-CD2 4.18Å; Y231-L398 HydrophobicContact CE1-CD2 3.57Å; Y231-N705 WeakPolarHBondContact OH-CA 3.25Å; Y231-N705 VanDerWaalsContact OH-CB 3.29Å; Y231-N705 WeakPolarHBondContact OH-CB 3.19Å; Y231-N705 PolarHBondContact OH-N 3.27Å
232	Y	98.7	Very high	98	Very high	15 Å²	15	43.6 Å²	43.6	6%	0.059	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-74.3	-3.6	-176.9	-69.2	-88.3	0	0	0	113.8	L224 G225 L226 S228 R229 D230 C234 M277 E280 K281 A284	L224-Y232 HydrophobicContact CB-CE2 3.83Å; L224-Y232 HydrophobicContact CD1-CD2 4.14Å; L224-Y232 HydrophobicContact CD1-CE2 3.69Å; L224-Y232 HydrophobicContact CG-CE2 4.23Å; G225-Y232 PolarHBondContact N-OH 2.87Å; L226-Y232 HydrophobicContact CB-CD2 4.47Å; L226-Y232 HydrophobicContact CB-CE2 3.69Å; L226-Y232 HydrophobicContact CD1-CD1 4.35Å; L226-Y232 HydrophobicContact CD1-CE1 4.01Å; L226-Y232 HydrophobicContact CD1-CE2 4.25Å; L226-Y232 HydrophobicContact CG-CE2 4.42Å; L226-Y232 PolarHBondContact N-OH 2.94Å; S228-Y232 WeakPolarHBondContact O-CD2 3.25Å; R229-Y232 WeakPolarHBondContact O-CB 3.26Å; R229-Y232 PolarHBondContact O-N 3.44Å; D230-Y232 PolarHBondContact O-N 3.25Å; D230-Y232 VanDerWaalsContact O-N 3.12Å; Y232-C234 PolarHBondContact O-N 3.24Å; Y232-M277 HydrophobicContact CD1-SD 4.02Å; Y232-M277 HydrophobicContact CE1-SD 4.02Å; Y232-E280 HydrophobicContact CE1-CB 3.88Å; Y232-E280 HydrophobicContact CE1-CG 3.56Å; Y232-E280 WeakPolarHBondContact OH-CG 3.2Å; Y232-E280 PolarHBondContact OH-OE1 3.24Å; Y232-E280 PolarHBondContact OH-OE2 2.75Å; Y232-K281 HydrophobicContact CD1-CB 4.37Å; Y232-K281 HydrophobicContact CD1-CG 3.72Å; Y232-K281 HydrophobicContact CG-CG 4.37Å; Y232-A284 HydrophobicContact CD1-CB 4.18Å; Y232-A284 HydrophobicContact CD2-CB 3.44Å; Y232-A284 VanDerWaalsContact CD2-CB 3.44Å; Y232-A284 HydrophobicContact CE2-CB 3.96Å; Y232-A284 HydrophobicContact CG-CB 3.56Å
233	E	97.9	Very high	98	Very high	124 Å²	124	46 Å²	46	58%	0.579	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-61.2	-31.3	161.2	-68.2	-178.8	-176.6	0	0	111.5	D230 Y231 T235 Y238	D230-E233 WeakPolarHBondContact O-CB 3.08Å; D230-E233 WeakPolarHBondContact O-CG 3Å; D230-E233 PolarHBondContact O-N 3.23Å; D230-E233 VanDerWaalsContact O-N 3.14Å; Y231-E233 PolarHBondContact O-N 3.42Å; E233-T235 PolarHBondContact O-N 3.17Å; E233-Y238 HydrophobicContact CB-CD2 4.39Å
234	C	98.3	Very high	98.1	Very high	23 Å²	23	44 Å²	44	16%	0.155	25%	0.254	C	S	.	.			trans	51.4	30.1	176.5	-61.4	0	0	0	0	115.1	Y231 Y232 C242 K281	Y231-C234 PolarHBondContact O-N 3.43Å; Y232-C234 PolarHBondContact O-N 3.24Å; C234-C242 WeakPolarHBondContact CA-SG 3.23Å; C234-C242 HydrophobicContact CB-CB 3.57Å; C234-C242 WeakPolarHBondContact CB-SG 3.06Å; C234-C242 WeakPolarHBondContact SG-CB 3.44Å; C234-C242 CovalentContact SG-SG 2.04Å; C234-C242 PolarHBondContact SG-SG 3.08Å; C234-K281 WeakPolarHBondContact SG-CE 3.47Å
235	T	97.6	Very high	98.1	Very high	87 Å²	87	42.5 Å²	42.5	53%	0.534	25%	0.247	S	C	.	.	S	Bend	trans	-128.2	171.2	175.7	60.7	0	0	0	0	110	E233 A237 Y238 K239	E233-T235 PolarHBondContact O-N 3.17Å; T235-A237 PolarHBondContact O-N 3.27Å; T235-Y238 PolarHBondContact O-N 3.16Å; T235-K239 PolarHBondContact O-N 2.96Å
236	G	96.1	Very high	98.1	Very high	71 Å²	71	42.9 Å²	42.9	73%	0.732	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	51.6	-124.3	178.7	0	0	0	0	0	112.6	Y238 K239	G236-Y238 PolarHBondContact O-N 2.91Å; G236-K239 PolarHBondContact O-N 3.21Å
237	A	95.3	Very high	98.1	Very high	56 Å²	56	47.2 Å²	47.2	46%	0.463	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-62.6	-22	179.8	0	0	0	0	0	114.4	T235 I704	T235-A237 PolarHBondContact O-N 3.27Å; A237-I704 HydrophobicContact CB-CD1 4.05Å; A237-I704 HydrophobicContact CB-CG2 4.22Å
238	Y	98.3	Very high	98.2	Very high	17 Å²	17	45.3 Å²	45.3	7%	0.067	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-97.3	-9.1	-175.4	-50.1	-58.2	0	0	0	114.1	D230 Y231 E233 T235 G236 E240 A241 C242 I704 K708	D230-Y238 HydrophobicContact CB-CE2 4.26Å; D230-Y238 WeakPolarHBondContact O-CD2 3.29Å; Y231-Y238 AromaticContact CD1-CD1 3.71Å; Y231-Y238 HydrophobicContact CD1-CD1 3.71Å; Y231-Y238 HydrophobicContact CD1-CG 4.36Å; Y231-Y238 HydrophobicContact CD2-CD1 4.05Å; Y231-Y238 HydrophobicContact CD2-CE1 4.11Å; Y231-Y238 AromaticContact CE1-CD1 3.83Å; Y231-Y238 HydrophobicContact CE1-CD1 3.83Å; Y231-Y238 HydrophobicContact CE1-CE1 4.46Å; Y231-Y238 HydrophobicContact CE2-CD1 4.15Å; Y231-Y238 HydrophobicContact CE2-CE1 4.03Å; Y231-Y238 AromaticContact CG-CD1 3.81Å; Y231-Y238 HydrophobicContact CG-CD1 3.81Å; Y231-Y238 HydrophobicContact CG-CE1 4.34Å; Y231-Y238 HydrophobicContact CG-CG 4.42Å; E233-Y238 HydrophobicContact CB-CD2 4.39Å; T235-Y238 PolarHBondContact O-N 3.16Å; G236-Y238 PolarHBondContact O-N 2.91Å; Y238-E240 PolarHBondContact O-N 3.3Å; Y238-A241 PolarHBondContact O-N 3.03Å; Y238-C242 PolarHBondContact O-N 3.21Å; Y238-C242 VanDerWaalsContact O-N 3.08Å; Y238-I704 HydrophobicContact CD1-CG2 4.19Å; Y238-I704 HydrophobicContact CE1-CG2 3.66Å; Y238-K708 WeakPolarHBondContact OH-CE 3.47Å
239	K	98.4	Very high	98.2	Very high	133 Å²	133	44.7 Å²	44.7	58%	0.578	25%	0.253	S	S	*	.	H	α-helix	trans	-56.3	-48	-174.8	-175.8	-177.5	177.2	-174.8	0	112.2	T235 G236 A241 C242 S243	T235-K239 PolarHBondContact O-N 2.96Å; G236-K239 PolarHBondContact O-N 3.21Å; K239-A241 PolarHBondContact O-N 2.89Å; K239-C242 PolarHBondContact O-N 2.89Å; K239-S243 PolarHBondContact O-N 3.3Å; K239-S243 PolarHBondContact O-OG 3.01Å
240	E	98.4	Very high	98.2	Very high	125 Å²	125	43 Å²	43	58%	0.584	25%	0.248	S	C	*	.	H	α-helix	trans	-63.4	-42.8	-178.3	-172	63	-161.1	0	0	111.6	Y238 C242 S243 A244 A397	Y238-E240 PolarHBondContact O-N 3.3Å; E240-C242 PolarHBondContact O-N 3.3Å; E240-S243 PolarHBondContact O-N 3.39Å; E240-A244 VanDerWaalsContact O-CB 3.27Å; E240-A244 WeakPolarHBondContact O-CB 3.29Å; E240-A244 PolarHBondContact O-N 2.98Å; E240-A397 HydrophobicContact CG-CB 4.01Å
241	A	98.6	Very high	98.3	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.017	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-42.6	177.8	0	0	0	0	0	112.1	L226 Y231 Y238 K239 Y245 A397 L398	L226-A241 HydrophobicContact CD2-CB 4.16Å; Y231-A241 HydrophobicContact CD1-CB 3.7Å; Y231-A241 HydrophobicContact CE1-CB 3.74Å; Y238-A241 PolarHBondContact O-N 3.03Å; K239-A241 PolarHBondContact O-N 2.89Å; A241-Y245 VanDerWaalsContact O-CB 3.24Å; A241-Y245 WeakPolarHBondContact O-CB 3.29Å; A241-Y245 PolarHBondContact O-N 3.41Å; A241-A397 HydrophobicContact CB-CB 4.31Å; A241-L398 HydrophobicContact CB-CD2 3.73Å
242	C	98.8	Very high	98.3	Very high	8 Å²	8	43 Å²	43	5%	0.054	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-44.4	175.8	-74.5	0	0	0	0	113	Y231 C234 Y238 K239 E240 Y245 V246 M277	Y231-C242 PolarHBondContact O-SG 3.17Å; C234-C242 WeakPolarHBondContact CA-SG 3.23Å; C234-C242 HydrophobicContact CB-CB 3.57Å; C234-C242 WeakPolarHBondContact CB-SG 3.06Å; C234-C242 WeakPolarHBondContact SG-CB 3.44Å; C234-C242 CovalentContact SG-SG 2.04Å; C234-C242 PolarHBondContact SG-SG 3.08Å; Y238-C242 PolarHBondContact O-N 3.21Å; Y238-C242 VanDerWaalsContact O-N 3.08Å; K239-C242 PolarHBondContact O-N 2.89Å; E240-C242 PolarHBondContact O-N 3.3Å; C242-Y245 PolarHBondContact O-N 3.45Å; C242-V246 PolarHBondContact O-N 3.46Å; C242-M277 HydrophobicContact CB-CE 3.75Å
243	S	98.7	Very high	98.3	Very high	56 Å²	56	42.3 Å²	42.3	39%	0.392	25%	0.25	S	C	.	.	H	α-helix	trans	-60.8	-50.9	176.3	-75.9	0	0	0	0	110.9	K239 E240 Y245 V246 D247	K239-S243 PolarHBondContact O-N 3.3Å; K239-S243 PolarHBondContact O-OG 3.01Å; E240-S243 PolarHBondContact O-N 3.39Å; S243-Y245 PolarHBondContact O-N 3.02Å; S243-V246 PolarHBondContact O-N 3.21Å; S243-D247 PolarHBondContact O-N 3.31Å
244	A	98.8	Very high	98.3	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.033	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-30.5	179.4	0	0	0	0	0	113	E240 F248 A393 F394 A397	E240-A244 VanDerWaalsContact O-CB 3.27Å; E240-A244 WeakPolarHBondContact O-CB 3.29Å; E240-A244 PolarHBondContact O-N 2.98Å; A244-F248 WeakPolarHBondContact O-CB 3.37Å; A244-F248 PolarHBondContact O-N 3.06Å; A244-A393 HydrophobicContact CB-CB 4.32Å; A244-F394 HydrophobicContact CB-CB 4.37Å; A244-A397 HydrophobicContact CB-CB 4.15Å
245	Y	98.9	Very high	98.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.9	-44.2	176.6	-175.7	-131	0	0	0	112.6	G225 L226 A241 C242 S243 F248 M249 M277 E280 W373 M377 F394	G225-Y245 WeakPolarHBondContact CA-OH 3.12Å; L226-Y245 HydrophobicContact CD1-CD1 4.1Å; L226-Y245 HydrophobicContact CD2-CG 4.27Å; L226-Y245 HydrophobicContact CG-CD1 4.02Å; L226-Y245 HydrophobicContact CG-CE1 4.4Å; L226-Y245 HydrophobicContact CG-CG 4.25Å; A241-Y245 VanDerWaalsContact O-CB 3.24Å; A241-Y245 WeakPolarHBondContact O-CB 3.29Å; A241-Y245 PolarHBondContact O-N 3.41Å; C242-Y245 PolarHBondContact O-N 3.45Å; S243-Y245 PolarHBondContact O-N 3.02Å; Y245-F248 PolarHBondContact O-N 3.22Å; Y245-M249 HydrophobicContact CD1-CE 3.5Å; Y245-M249 VanDerWaalsContact CD1-CE 3.5Å; Y245-M249 HydrophobicContact CD2-CE 4.23Å; Y245-M249 HydrophobicContact CE1-CE 3.1Å; Y245-M249 HydrophobicContact CE2-CE 3.9Å; Y245-M249 HydrophobicContact CG-CE 4.05Å; Y245-M249 WeakPolarHBondContact O-CG 3.47Å; Y245-M249 PolarHBondContact O-N 3.31Å; Y245-M249 VanDerWaalsContact O-N 3.09Å; Y245-M277 HydrophobicContact CD1-CE 3.74Å; Y245-M277 HydrophobicContact CD1-SD 4.45Å; Y245-E280 WeakPolarHBondContact CE1-OE2 3.15Å; Y245-E280 VanDerWaalsContact CZ-OE2 3.3Å; Y245-E280 PolarHBondContact OH-OE2 2.92Å; Y245-W373 HydrophobicContact CD2-CZ2 4.06Å; Y245-W373 AromaticContact CE2-CE2 3.74Å; Y245-W373 AromaticContact CE2-CZ2 3.69Å; Y245-W373 HydrophobicContact CE2-CZ2 3.69Å; Y245-W373 AromaticContact CE2-NE1 3.2Å; Y245-W373 AromaticContact CZ-NE1 3.2Å; Y245-W373 PolarHBondContact OH-NE1 3.14Å; Y245-M377 HydrophobicContact CE2-CE 3.88Å; Y245-M377 HydrophobicContact CE2-SD 3.91Å; Y245-F394 HydrophobicContact CD2-CD2 4.06Å; Y245-F394 HydrophobicContact CD2-CE1 4.45Å; Y245-F394 AromaticContact CD2-CE2 3.43Å; Y245-F394 HydrophobicContact CD2-CE2 3.43Å; Y245-F394 VanDerWaalsContact CD2-CE2 3.43Å; Y245-F394 AromaticContact CD2-CZ 3.65Å; Y245-F394 HydrophobicContact CD2-CZ 3.65Å; Y245-F394 HydrophobicContact CE2-CE2 4.4Å; Y245-F394 HydrophobicContact CE2-CZ 4.22Å; Y245-F394 HydrophobicContact CG-CD2 4.39Å; Y245-F394 AromaticContact CG-CE2 3.83Å; Y245-F394 HydrophobicContact CG-CE2 3.83Å; Y245-F394 HydrophobicContact CG-CZ 4.44Å
246	V	98.9	Very high	98.4	Very high	17 Å²	17	34.7 Å²	34.7	10%	0.103	21%	0.206	C	C	.	.	H	α-helix	trans	-68.2	-41	175.4	177.2	0	0	0	0	110.8	C242 S243 F248 M249 I250 M273 K274 M277	C242-V246 PolarHBondContact O-N 3.46Å; S243-V246 PolarHBondContact O-N 3.21Å; V246-F248 VanDerWaalsContact C-N 3.26Å; V246-F248 PolarHBondContact O-N 2.87Å; V246-M249 WeakPolarHBondContact O-CB 3.36Å; V246-M249 PolarHBondContact O-N 2.96Å; V246-I250 HydrophobicContact CG1-CD1 3.9Å; V246-I250 HydrophobicContact CG1-CG1 4.46Å; V246-I250 WeakPolarHBondContact O-CG1 3.28Å; V246-I250 PolarHBondContact O-N 3.35Å; V246-M273 HydrophobicContact CG1-CB 4.38Å; V246-K274 HydrophobicContact CG1-CG 4.36Å; V246-M277 HydrophobicContact CG2-CB 3.86Å; V246-M277 HydrophobicContact CG2-CE 3.94Å; V246-M277 HydrophobicContact CG2-CG 4.09Å
247	D	98.8	Very high	98.5	Very high	93 Å²	93	31.5 Å²	31.5	50%	0.497	17%	0.172	S	C	.	.	H	α-helix	trans	-63.8	-35.2	176.9	-70	-20.2	0	0	0	111.8	S243 I250 S251	S243-D247 PolarHBondContact O-N 3.31Å; D247-I250 PolarHBondContact O-N 3.41Å; D247-S251 VanDerWaalsContact O-CB 3.29Å; D247-S251 WeakPolarHBondContact O-CB 3.27Å; D247-S251 PolarHBondContact O-N 3.43Å; D247-S251 PolarHBondContact O-OG 2.88Å
248	F	98.8	Very high	98.6	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.013	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-45	173.4	176.7	-147.6	0	0	0	111.4	A244 Y245 V246 I250 S251 V252 W373 M377 V380 T390 R391 F394	A244-F248 WeakPolarHBondContact O-CB 3.37Å; A244-F248 PolarHBondContact O-N 3.06Å; Y245-F248 PolarHBondContact O-N 3.22Å; V246-F248 VanDerWaalsContact C-N 3.26Å; V246-F248 PolarHBondContact O-N 2.87Å; F248-I250 PolarHBondContact O-N 2.93Å; F248-S251 PolarHBondContact O-N 3.11Å; F248-V252 HydrophobicContact CD2-CG2 3.76Å; F248-V252 HydrophobicContact CE2-CG2 3.45Å; F248-V252 VanDerWaalsContact CE2-CG2 3.45Å; F248-V252 HydrophobicContact CZ-CG2 4.41Å; F248-V252 WeakPolarHBondContact O-CG2 3.13Å; F248-V252 PolarHBondContact O-N 3.26Å; F248-V252 VanDerWaalsContact O-N 3.12Å; F248-W373 HydrophobicContact CB-CH2 4.26Å; F248-W373 AromaticContact CD1-CH2 3.35Å; F248-W373 HydrophobicContact CD1-CH2 3.35Å; F248-W373 AromaticContact CD1-CZ2 3.59Å; F248-W373 HydrophobicContact CD1-CZ2 3.59Å; F248-W373 AromaticContact CD2-CH2 3.91Å; F248-W373 HydrophobicContact CD2-CH2 3.91Å; F248-W373 AromaticContact CE1-CH2 3.43Å; F248-W373 HydrophobicContact CE1-CH2 3.43Å; F248-W373 VanDerWaalsContact CE1-CH2 3.43Å; F248-W373 AromaticContact CE1-CZ2 3.8Å; F248-W373 HydrophobicContact CE1-CZ2 3.8Å; F248-W373 HydrophobicContact CE1-CZ3 4.49Å; F248-W373 AromaticContact CE2-CH2 3.98Å; F248-W373 HydrophobicContact CE2-CH2 3.98Å; F248-W373 AromaticContact CG-CH2 3.57Å; F248-W373 HydrophobicContact CG-CH2 3.57Å; F248-W373 HydrophobicContact CG-CZ2 4.14Å; F248-W373 AromaticContact CZ-CH2 3.72Å; F248-W373 HydrophobicContact CZ-CH2 3.72Å; F248-W373 HydrophobicContact CZ-CZ3 4.43Å; F248-M377 HydrophobicContact CE1-CB 3.84Å; F248-M377 HydrophobicContact CZ-CB 4.09Å; F248-V380 HydrophobicContact CE2-CG1 4.13Å; F248-V380 HydrophobicContact CE2-CG2 3.98Å; F248-V380 HydrophobicContact CZ-CB 4.48Å; F248-V380 HydrophobicContact CZ-CG1 4.1Å; F248-V380 HydrophobicContact CZ-CG2 3.63Å; F248-T390 WeakPolarHBondContact CD2-O 3.43Å; F248-T390 WeakPolarHBondContact CE2-OG1 3.4Å; F248-R391 HydrophobicContact CE1-CG 4.03Å; F248-R391 HydrophobicContact CE2-CB 4.05Å; F248-R391 HydrophobicContact CE2-CG 4.33Å; F248-R391 HydrophobicContact CZ-CB 4.12Å; F248-R391 HydrophobicContact CZ-CG 3.93Å; F248-F394 HydrophobicContact CB-CB 4.14Å; F248-F394 HydrophobicContact CD1-CB 4.06Å; F248-F394 AromaticContact CD1-CD1 3.66Å; F248-F394 HydrophobicContact CD1-CD1 3.66Å; F248-F394 HydrophobicContact CD1-CE1 4.25Å; F248-F394 AromaticContact CD1-CG 3.87Å; F248-F394 HydrophobicContact CD1-CG 3.87Å; F248-F394 AromaticContact CE1-CD1 3.95Å; F248-F394 HydrophobicContact CE1-CD1 3.95Å; F248-F394 HydrophobicContact CE1-CE1 4.35Å; F248-F394 HydrophobicContact CG-CB 4.28Å
249	M	98.9	Very high	98.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-54.7	-51.2	172.4	-66.4	170.7	-167	0	0	112.1	Y245 V246 S251 V252 A253 M273 V276 W373	Y245-M249 HydrophobicContact CD1-CE 3.5Å; Y245-M249 VanDerWaalsContact CD1-CE 3.5Å; Y245-M249 HydrophobicContact CD2-CE 4.23Å; Y245-M249 HydrophobicContact CE1-CE 3.1Å; Y245-M249 HydrophobicContact CE2-CE 3.9Å; Y245-M249 HydrophobicContact CG-CE 4.05Å; Y245-M249 WeakPolarHBondContact O-CG 3.47Å; Y245-M249 PolarHBondContact O-N 3.31Å; Y245-M249 VanDerWaalsContact O-N 3.09Å; V246-M249 WeakPolarHBondContact O-CB 3.36Å; V246-M249 PolarHBondContact O-N 2.96Å; M249-S251 VanDerWaalsContact C-N 3.34Å; M249-S251 PolarHBondContact O-N 3.06Å; M249-V252 PolarHBondContact O-N 2.03Å; M249-A253 WeakPolarHBondContact O-CB 3.49Å; M249-A253 PolarHBondContact O-N 3.25Å; M249-M273 HydrophobicContact CB-CB 3.96Å; M249-M273 HydrophobicContact CB-CG 3.74Å; M249-M273 HydrophobicContact CB-SD 3.66Å; M249-M273 HydrophobicContact CG-SD 4.31Å; M249-M273 HydrophobicContact SD-CB 4.06Å; M249-M273 HydrophobicContact SD-SD 4.31Å; M249-V276 HydrophobicContact CE-CG1 3.96Å; M249-V276 HydrophobicContact SD-CB 4.28Å; M249-V276 HydrophobicContact SD-CG1 3.98Å; M249-W373 HydrophobicContact CB-CD2 4.31Å; M249-W373 HydrophobicContact CB-CE3 4.32Å; M249-W373 HydrophobicContact CB-CH2 4.26Å; M249-W373 HydrophobicContact CB-CZ2 4.28Å; M249-W373 HydrophobicContact CB-CZ3 4.31Å; M249-W373 HydrophobicContact CE-CG 4.39Å; M249-W373 HydrophobicContact CG-CD2 3.49Å; M249-W373 VanDerWaalsContact CG-CD2 3.49Å; M249-W373 HydrophobicContact CG-CE3 3.96Å; M249-W373 HydrophobicContact CG-CG 3.96Å; M249-W373 HydrophobicContact CG-CH2 3.87Å; M249-W373 HydrophobicContact CG-CZ2 3.41Å; M249-W373 VanDerWaalsContact CG-CZ2 3.41Å; M249-W373 HydrophobicContact CG-CZ3 4.15Å
250	I	98.9	Very high	98.5	Very high	22 Å²	22	31.2 Å²	31.2	11%	0.113	16%	0.161	C	C	.	.	H	α-helix	trans	-61.4	-44.8	-178	-66.7	166.7	0	0	0	110.4	V246 D247 F248 V252 A253 K254 I269 M273	V246-I250 HydrophobicContact CG1-CD1 3.9Å; V246-I250 HydrophobicContact CG1-CG1 4.46Å; V246-I250 WeakPolarHBondContact O-CG1 3.28Å; V246-I250 PolarHBondContact O-N 3.35Å; D247-I250 PolarHBondContact O-N 3.41Å; F248-I250 PolarHBondContact O-N 2.93Å; I250-V252 PolarHBondContact O-N 2.95Å; I250-A253 PolarHBondContact O-N 3.07Å; I250-K254 HydrophobicContact CG2-CD 3.93Å; I250-K254 HydrophobicContact CG2-CG 4.42Å; I250-K254 VanDerWaalsContact O-CG 3.31Å; I250-K254 WeakPolarHBondContact O-CG 3.21Å; I250-K254 PolarHBondContact O-N 3.48Å; I250-I269 HydrophobicContact CB-CG2 4.32Å; I250-I269 HydrophobicContact CG1-CG2 4.24Å; I250-I269 HydrophobicContact CG2-CG2 4.04Å; I250-M273 HydrophobicContact CG1-CB 3.94Å; I250-M273 HydrophobicContact CG1-CG 3.97Å
251	S	98.8	Very high	98.4	Very high	47 Å²	47	32.5 Å²	32.5	33%	0.329	17%	0.172	S	C	.	.	H	α-helix	trans	-61.5	-44.6	-177.8	-62.1	0	0	0	0	111.9	D247 F248 M249 K254 L255	D247-S251 VanDerWaalsContact O-CB 3.29Å; D247-S251 WeakPolarHBondContact O-CB 3.27Å; D247-S251 PolarHBondContact O-N 3.43Å; D247-S251 PolarHBondContact O-OG 2.88Å; F248-S251 PolarHBondContact O-N 3.11Å; M249-S251 VanDerWaalsContact C-N 3.34Å; M249-S251 PolarHBondContact O-N 3.06Å; S251-K254 PolarHBondContact O-N 3.1Å; S251-L255 PolarHBondContact O-N 3.16Å; S251-L255 VanDerWaalsContact O-N 3.15Å
252	V	98.8	Very high	98.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.1	-41.5	178.8	-178.4	0	0	0	0	111.4	W167 F248 M249 I250 K254 L255 I256 W373 V376 V380 Y387 T390	W167-V252 HydrophobicContact CH2-CB 4.49Å; W167-V252 HydrophobicContact CZ3-CB 4.36Å; W167-V252 HydrophobicContact CZ3-CG1 4.04Å; F248-V252 HydrophobicContact CD2-CG2 3.76Å; F248-V252 HydrophobicContact CE2-CG2 3.45Å; F248-V252 VanDerWaalsContact CE2-CG2 3.45Å; F248-V252 HydrophobicContact CZ-CG2 4.41Å; F248-V252 WeakPolarHBondContact O-CG2 3.13Å; F248-V252 PolarHBondContact O-N 3.26Å; F248-V252 VanDerWaalsContact O-N 3.12Å; M249-V252 PolarHBondContact O-N 2.03Å; I250-V252 PolarHBondContact O-N 2.95Å; V252-K254 VanDerWaalsContact C-N 3.32Å; V252-K254 PolarHBondContact O-N 2.72Å; V252-L255 PolarHBondContact O-N 2.97Å; V252-I256 HydrophobicContact CG1-CD1 4.01Å; V252-I256 WeakPolarHBondContact O-CG1 3.43Å; V252-I256 PolarHBondContact O-N 3.39Å; V252-I256 VanDerWaalsContact O-N 3.07Å; V252-W373 HydrophobicContact CB-CZ3 4.27Å; V252-W373 HydrophobicContact CG2-CZ3 4.2Å; V252-V376 HydrophobicContact CG1-CG1 3.58Å; V252-V380 HydrophobicContact CG1-CG1 4.23Å; V252-V380 HydrophobicContact CG2-CG1 3.91Å; V252-Y387 HydrophobicContact CG1-CD1 4.32Å; V252-Y387 HydrophobicContact CG1-CE1 4.27Å; V252-T390 HydrophobicContact CG2-CG2 4.41Å; V252-T390 WeakPolarHBondContact CG2-OG1 3.39Å
253	A	98.8	Very high	98.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.6	-44	176.3	0	0	0	0	0	111.6	W167 V169 M249 I250 L255 I256 L257 I269	W167-A253 HydrophobicContact CH2-CB 3.92Å; W167-A253 HydrophobicContact CZ3-CB 3.93Å; V169-A253 HydrophobicContact CG1-CB 3.93Å; V169-A253 HydrophobicContact CG2-CB 4.38Å; M249-A253 WeakPolarHBondContact O-CB 3.49Å; M249-A253 PolarHBondContact O-N 3.25Å; I250-A253 PolarHBondContact O-N 3.07Å; A253-L255 PolarHBondContact O-N 3.31Å; A253-I256 PolarHBondContact O-N 3.48Å; A253-L257 WeakPolarHBondContact O-CD1 3.43Å; A253-L257 WeakPolarHBondContact O-CG 3.34Å; A253-L257 PolarHBondContact O-N 3.34Å; A253-I269 HydrophobicContact CB-CG2 3.9Å
254	K	98.6	Very high	97.9	Very high	46 Å²	46	39.3 Å²	39.3	20%	0.2	21%	0.209	C	C	.	.	H	α-helix	trans	-60.1	-45.3	176.3	-72.3	175	71.2	169.1	0	112	I250 S251 V252 I256 L257 Q258 F264 E266 I269	I250-K254 HydrophobicContact CG2-CD 3.93Å; I250-K254 HydrophobicContact CG2-CG 4.42Å; I250-K254 VanDerWaalsContact O-CG 3.31Å; I250-K254 WeakPolarHBondContact O-CG 3.21Å; I250-K254 PolarHBondContact O-N 3.48Å; S251-K254 PolarHBondContact O-N 3.1Å; V252-K254 VanDerWaalsContact C-N 3.32Å; V252-K254 PolarHBondContact O-N 2.72Å; K254-I256 PolarHBondContact O-N 2.98Å; K254-L257 PolarHBondContact O-N 3.05Å; K254-Q258 WeakPolarHBondContact O-CB 3Å; K254-Q258 WeakPolarHBondContact O-CG 3.35Å; K254-Q258 PolarHBondContact O-N 3.4Å; K254-F264 HydrophobicContact CB-CE2 4.45Å; K254-F264 HydrophobicContact CB-CZ 4.39Å; K254-F264 HydrophobicContact CG-CE2 3.94Å; K254-F264 HydrophobicContact CG-CZ 4.38Å; K254-E266 VanDerWaalsContact CE-OE1 3.28Å; K254-E266 WeakPolarHBondContact CE-OE1 3.41Å; K254-E266 IonicContact NZ-OE1 3.62Å; K254-E266 PolarHBondContact NZ-OE1 3.29Å; K254-E266 IonicContact NZ-OE2 2.93Å; K254-E266 PolarHBondContact NZ-OE2 2.94Å; K254-I269 HydrophobicContact CG-CD1 3.83Å
255	L	98.3	Very high	97.8	Very high	28 Å²	28	43.9 Å²	43.9	15%	0.147	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-44.1	178.4	-72.2	-178.5	0	0	0	112.1	S251 V252 A253 L257 Q258 E259 N386 Y387 T390	S251-L255 PolarHBondContact O-N 3.16Å; S251-L255 VanDerWaalsContact O-N 3.15Å; V252-L255 PolarHBondContact O-N 2.97Å; A253-L255 PolarHBondContact O-N 3.31Å; L255-L257 PolarHBondContact O-N 2.92Å; L255-Q258 PolarHBondContact O-N 3.24Å; L255-E259 WeakPolarHBondContact O-CG 2.99Å; L255-E259 PolarHBondContact O-N 3.48Å; L255-N386 WeakPolarHBondContact CD1-O 3.33Å; L255-Y387 HydrophobicContact CB-CE1 3.96Å; L255-Y387 HydrophobicContact CB-CE2 4.28Å; L255-Y387 HydrophobicContact CD1-CD1 4.12Å; L255-Y387 HydrophobicContact CD1-CD2 4.15Å; L255-Y387 HydrophobicContact CD1-CE1 4.32Å; L255-Y387 HydrophobicContact CD1-CE2 4.36Å; L255-Y387 HydrophobicContact CD1-CG 4.05Å; L255-T390 HydrophobicContact CD1-CG2 3.46Å; L255-T390 VanDerWaalsContact CD1-CG2 3.46Å; L255-T390 HydrophobicContact CG-CG2 4.41Å
256	I	98.6	Very high	97.6	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63	-45.2	178.5	-68.1	169.7	0	0	0	110.9	L157 I158 L161 W167 A170 V252 A253 K254 Q258 E259 R260 Y387	L157-I256 HydrophobicContact CD2-CD1 4.05Å; I158-I256 HydrophobicContact CD1-CG2 4.42Å; I158-I256 HydrophobicContact CG1-CG2 4.04Å; L161-I256 HydrophobicContact CD1-CD1 4.17Å; W167-I256 HydrophobicContact CE3-CD1 3.79Å; W167-I256 HydrophobicContact CZ3-CD1 3.92Å; A170-I256 HydrophobicContact CB-CB 4.06Å; A170-I256 HydrophobicContact CB-CG2 3.64Å; V252-I256 HydrophobicContact CG1-CD1 4.01Å; V252-I256 WeakPolarHBondContact O-CG1 3.43Å; V252-I256 PolarHBondContact O-N 3.39Å; V252-I256 VanDerWaalsContact O-N 3.07Å; A253-I256 PolarHBondContact O-N 3.48Å; K254-I256 PolarHBondContact O-N 2.98Å; I256-Q258 PolarHBondContact O-N 3.06Å; I256-E259 PolarHBondContact O-N 2.71Å; I256-R260 HydrophobicContact CG2-CG 4.4Å; I256-R260 WeakPolarHBondContact O-CB 3.36Å; I256-R260 VanDerWaalsContact O-CG 3.31Å; I256-R260 WeakPolarHBondContact O-CG 3.26Å; I256-R260 PolarHBondContact O-N 3.4Å; I256-Y387 HydrophobicContact CG1-CE1 3.95Å
257	L	98.3	Very high	97.5	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-41.3	178.5	-73.1	159.7	0	0	0	112.1	A170 A253 K254 L255 R260 N261 I262 F264 I269	A170-L257 HydrophobicContact CB-CG 4.22Å; A253-L257 WeakPolarHBondContact O-CD1 3.43Å; A253-L257 WeakPolarHBondContact O-CG 3.34Å; A253-L257 PolarHBondContact O-N 3.34Å; K254-L257 PolarHBondContact O-N 3.05Å; L255-L257 PolarHBondContact O-N 2.92Å; L257-R260 PolarHBondContact O-N 3.5Å; L257-N261 PolarHBondContact O-N 3.39Å; L257-N261 VanDerWaalsContact O-N 3.14Å; L257-I262 HydrophobicContact CD2-CB 3.82Å; L257-I262 HydrophobicContact CD2-CD1 4.28Å; L257-I262 HydrophobicContact CD2-CG2 3.64Å; L257-I262 PolarHBondContact O-N 2.88Å; L257-F264 HydrophobicContact CB-CB 4.49Å; L257-F264 HydrophobicContact CB-CD1 3.51Å; L257-F264 HydrophobicContact CB-CE1 3.99Å; L257-F264 HydrophobicContact CB-CG 4.19Å; L257-F264 HydrophobicContact CD1-CB 3.73Å; L257-F264 HydrophobicContact CD1-CD1 4.11Å; L257-F264 HydrophobicContact CD1-CG 3.91Å; L257-F264 HydrophobicContact CG-CB 4.49Å; L257-F264 HydrophobicContact CG-CD1 4.36Å; L257-I269 HydrophobicContact CD1-CD1 3.55Å; L257-I269 HydrophobicContact CD1-CG1 4.22Å
258	Q	97.5	Very high	97.4	Very high	100 Å²	100	53.4 Å²	53.4	47%	0.467	28%	0.281	S	S	.	.	H	α-helix	trans	-60.2	-46.8	174.5	-74.4	172.4	-12.9	0	0	111.6	K254 L255 I256 R260 N261 F264	K254-Q258 WeakPolarHBondContact O-CB 3Å; K254-Q258 WeakPolarHBondContact O-CG 3.35Å; K254-Q258 PolarHBondContact O-N 3.4Å; L255-Q258 PolarHBondContact O-N 3.24Å; I256-Q258 PolarHBondContact O-N 3.06Å; Q258-R260 VanDerWaalsContact C-N 3.31Å; Q258-R260 PolarHBondContact O-N 3.33Å; Q258-N261 PolarHBondContact O-N 2.79Å; Q258-N261 VanDerWaalsContact O-N 3.09Å; Q258-F264 HydrophobicContact CG-CE1 3.69Å; Q258-F264 HydrophobicContact CG-CZ 3.93Å
259	E	97.3	Very high	97.4	Very high	44 Å²	44	53.6 Å²	53.6	21%	0.206	28%	0.282	C	S	.	.	H	α-helix	trans	-68.8	-29.3	179.2	-73.4	-173.3	167.3	0	0	113.4	R153 G154 I158 L255 I256 N261 Y387	R153-E259 WeakPolarHBondContact CB-OE1 3.35Å; G154-E259 WeakPolarHBondContact CA-OE2 3.5Å; G154-E259 PolarHBondContact N-OE1 2.99Å; G154-E259 PolarHBondContact N-OE2 3.46Å; I158-E259 HydrophobicContact CD1-CB 3.68Å; I158-E259 WeakPolarHBondContact CD1-OE2 3.44Å; L255-E259 WeakPolarHBondContact O-CG 2.99Å; L255-E259 PolarHBondContact O-N 3.48Å; I256-E259 PolarHBondContact O-N 2.71Å; E259-N261 VanDerWaalsContact C-N 3.25Å; E259-N261 PolarHBondContact O-N 3.48Å; E259-Y387 WeakPolarHBondContact OE1-CE2 3.32Å; E259-Y387 PolarHBondContact OE2-OH 2.89Å
260	R	96.9	Very high	97.3	Very high	55 Å²	55	54.9 Å²	54.9	21%	0.208	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-4.6	172.3	-69.6	179.1	174.3	-162.5	-6.5	113.5	I158 D166 A170 I256 L257 Q258 I262	I158-R260 HydrophobicContact CD1-CG 4.15Å; I158-R260 HydrophobicContact CG2-CG 4.17Å; D166-R260 IonicContact OD1-CZ 2.73Å; D166-R260 IonicContact OD1-NH1 3.63Å; D166-R260 PolarHBondContact OD1-NH1 2.89Å; D166-R260 VanDerWaalsContact OD1-NH1 3.11Å; D166-R260 IonicContact OD1-NH2 2.71Å; D166-R260 PolarHBondContact OD1-NH2 3.39Å; D166-R260 IonicContact OD2-CZ 3.98Å; D166-R260 IonicContact OD2-NH1 3.33Å; D166-R260 PolarHBondContact OD2-NH1 3.45Å; D166-R260 IonicContact OD2-NH2 2.9Å; D166-R260 PolarHBondContact OD2-NH2 2.93Å; A170-R260 WeakPolarHBondContact O-CD 3.18Å; A170-R260 PolarHBondContact O-NH1 2.79Å; I256-R260 HydrophobicContact CG2-CG 4.4Å; I256-R260 WeakPolarHBondContact O-CB 3.36Å; I256-R260 VanDerWaalsContact O-CG 3.31Å; I256-R260 WeakPolarHBondContact O-CG 3.26Å; I256-R260 PolarHBondContact O-N 3.4Å; L257-R260 PolarHBondContact O-N 3.5Å; Q258-R260 VanDerWaalsContact C-N 3.31Å; Q258-R260 PolarHBondContact O-N 3.33Å; R260-I262 HydrophobicContact CB-CD1 3.7Å; R260-I262 HydrophobicContact CB-CG1 3.81Å; R260-I262 HydrophobicContact CG-CD1 4.46Å; R260-I262 PolarHBondContact O-N 3.27Å
261	N	96.6	Very high	97.3	Very high	153 Å²	153	59.9 Å²	59.9	82%	0.818	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	35.2	-171.8	-61.1	-55.3	0	0	0	113.4	L257 Q258 E259	L257-N261 PolarHBondContact O-N 3.39Å; L257-N261 VanDerWaalsContact O-N 3.14Å; Q258-N261 PolarHBondContact O-N 2.79Å; Q258-N261 VanDerWaalsContact O-N 3.09Å; E259-N261 VanDerWaalsContact C-N 3.25Å; E259-N261 PolarHBondContact O-N 3.48Å
262	I	96.3	Very high	97.3	Very high	25 Å²	25	58.9 Å²	58.9	13%	0.128	30%	0.304	C	S	.	.			trans	-92.8	129.5	176.8	-64.5	172.8	0	0	0	108.3	D172 L257 R260 F264	D172-I262 HydrophobicContact CB-CD1 4.44Å; D172-I262 WeakPolarHBondContact OD1-CG2 3.49Å; L257-I262 HydrophobicContact CD2-CB 3.82Å; L257-I262 HydrophobicContact CD2-CD1 4.28Å; L257-I262 HydrophobicContact CD2-CG2 3.64Å; L257-I262 PolarHBondContact O-N 2.88Å; R260-I262 HydrophobicContact CB-CD1 3.7Å; R260-I262 HydrophobicContact CB-CG1 3.81Å; R260-I262 HydrophobicContact CG-CD1 4.46Å; R260-I262 PolarHBondContact O-N 3.27Å; I262-F264 WeakPolarHBondContact O-CD1 3.43Å
263	S	94.5	Very high	97.3	Very high	116 Å²	116	58.9 Å²	58.9	81%	0.811	30%	0.304	S	S	*	.			trans	-70.9	133.1	173.3	61.6	0	0	0	0	110.5
264	F	95.6	Very high	97.3	Very high	67 Å²	67	64.4 Å²	64.4	29%	0.294	33%	0.328	S	S	.	.			trans	-134.9	156.9	-177	59.8	-93.3	0	0	0	113.5	K254 L257 Q258 I262 E266 I269	K254-F264 HydrophobicContact CB-CE2 4.45Å; K254-F264 HydrophobicContact CB-CZ 4.39Å; K254-F264 HydrophobicContact CG-CE2 3.94Å; K254-F264 HydrophobicContact CG-CZ 4.38Å; L257-F264 HydrophobicContact CB-CB 4.49Å; L257-F264 HydrophobicContact CB-CD1 3.51Å; L257-F264 HydrophobicContact CB-CE1 3.99Å; L257-F264 HydrophobicContact CB-CG 4.19Å; L257-F264 HydrophobicContact CD1-CB 3.73Å; L257-F264 HydrophobicContact CD1-CD1 4.11Å; L257-F264 HydrophobicContact CD1-CG 3.91Å; L257-F264 HydrophobicContact CG-CB 4.49Å; L257-F264 HydrophobicContact CG-CD1 4.36Å; Q258-F264 HydrophobicContact CG-CE1 3.69Å; Q258-F264 HydrophobicContact CG-CZ 3.93Å; I262-F264 WeakPolarHBondContact O-CD1 3.43Å; F264-E266 HydrophobicContact CD2-CG 4.34Å; F264-E266 HydrophobicContact CE2-CG 4.1Å; F264-I269 HydrophobicContact CB-CD1 4.06Å; F264-I269 HydrophobicContact CD2-CD1 3.55Å; F264-I269 HydrophobicContact CE2-CD1 4.29Å; F264-I269 HydrophobicContact CG-CD1 3.98Å
265	N	95.3	Very high	97.3	Very high	101 Å²	101	67.2 Å²	67.2	54%	0.54	34%	0.338	S	S	.	.			trans	-108.2	117.4	173.7	-179.1	-29.7	0	0	0	109.1	S267 K268 I269	N265-S267 VanDerWaalsContact C-N 3.26Å; N265-S267 PolarHBondContact O-N 2.99Å; N265-S267 VanDerWaalsContact OD1-CB 3.27Å; N265-S267 WeakPolarHBondContact OD1-CB 3.47Å; N265-S267 PolarHBondContact OD1-N 3.39Å; N265-K268 HydrophobicContact CB-CB 4.16Å; N265-K268 WeakPolarHBondContact O-CB 3.44Å; N265-K268 PolarHBondContact O-N 3.04Å; N265-K268 VanDerWaalsContact O-N 3.08Å; N265-I269 PolarHBondContact O-N 3.24Å; N265-I269 VanDerWaalsContact O-N 3.14Å
266	E	95.4	Very high	97.3	Very high	108 Å²	108	66 Å²	66	51%	0.505	33%	0.331	S	S	.	.	H	α-helix	trans	-59.9	-34.9	-177.9	-59.5	-160.8	-176.9	0	0	113.3	K254 F264 K268 I269 S270	K254-E266 VanDerWaalsContact CE-OE1 3.28Å; K254-E266 WeakPolarHBondContact CE-OE1 3.41Å; K254-E266 IonicContact NZ-OE1 3.62Å; K254-E266 PolarHBondContact NZ-OE1 3.29Å; K254-E266 IonicContact NZ-OE2 2.93Å; K254-E266 PolarHBondContact NZ-OE2 2.94Å; F264-E266 HydrophobicContact CD2-CG 4.34Å; F264-E266 HydrophobicContact CE2-CG 4.1Å; E266-K268 VanDerWaalsContact C-N 3.31Å; E266-K268 PolarHBondContact O-N 3.49Å; E266-I269 PolarHBondContact O-N 3.28Å; E266-S270 WeakPolarHBondContact O-CB 3.45Å; E266-S270 PolarHBondContact O-N 3.22Å
267	S	96.6	Very high	97.3	Very high	84 Å²	84	66.3 Å²	66.3	59%	0.587	33%	0.333	S	S	*	.	H	α-helix	trans	-63.7	-38.9	176.6	-171.2	0	0	0	0	111.5	N265 S270 E271	N265-S267 VanDerWaalsContact C-N 3.26Å; N265-S267 PolarHBondContact O-N 2.99Å; N265-S267 VanDerWaalsContact OD1-CB 3.27Å; N265-S267 WeakPolarHBondContact OD1-CB 3.47Å; N265-S267 PolarHBondContact OD1-N 3.39Å; S267-S270 PolarHBondContact O-N 3.15Å; S267-E271 PolarHBondContact O-N 3.11Å
268	K	96.8	Very high	97.3	Very high	118 Å²	118	69.5 Å²	69.5	51%	0.513	35%	0.35	S	S	.	.	H	α-helix	trans	-68.8	-42.7	178.1	-174.3	179.2	176.5	-174.7	0	111.4	N265 E266 S270 E271 E272	N265-K268 HydrophobicContact CB-CB 4.16Å; N265-K268 WeakPolarHBondContact O-CB 3.44Å; N265-K268 PolarHBondContact O-N 3.04Å; N265-K268 VanDerWaalsContact O-N 3.08Å; E266-K268 VanDerWaalsContact C-N 3.31Å; E266-K268 PolarHBondContact O-N 3.49Å; K268-S270 VanDerWaalsContact C-N 3.31Å; K268-S270 PolarHBondContact O-N 3.03Å; K268-E271 PolarHBondContact O-N 3.06Å; K268-E272 VanDerWaalsContact CE-OE1 3.3Å; K268-E272 WeakPolarHBondContact CE-OE1 3.29Å; K268-E272 PolarHBondContact O-N 3.13Å
269	I	98.2	Very high	97.4	Very high	6 Å²	6	64.7 Å²	64.7	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-59.3	-46	174.2	-60.7	172.4	0	0	0	109.9	V169 I250 A253 K254 L257 F264 N265 E266 E271 E272 M273	V169-I269 HydrophobicContact CG2-CB 4.32Å; V169-I269 HydrophobicContact CG2-CG1 4.23Å; V169-I269 HydrophobicContact CG2-CG2 4Å; I250-I269 HydrophobicContact CB-CG2 4.32Å; I250-I269 HydrophobicContact CG1-CG2 4.24Å; I250-I269 HydrophobicContact CG2-CG2 4.04Å; A253-I269 HydrophobicContact CB-CG2 3.9Å; K254-I269 HydrophobicContact CG-CD1 3.83Å; L257-I269 HydrophobicContact CD1-CD1 3.55Å; L257-I269 HydrophobicContact CD1-CG1 4.22Å; F264-I269 HydrophobicContact CB-CD1 4.06Å; F264-I269 HydrophobicContact CD2-CD1 3.55Å; F264-I269 HydrophobicContact CE2-CD1 4.29Å; F264-I269 HydrophobicContact CG-CD1 3.98Å; N265-I269 PolarHBondContact O-N 3.24Å; N265-I269 VanDerWaalsContact O-N 3.14Å; E266-I269 PolarHBondContact O-N 3.28Å; I269-E271 VanDerWaalsContact C-N 3.34Å; I269-E271 PolarHBondContact O-N 2.83Å; I269-E272 PolarHBondContact O-N 3.21Å; I269-M273 HydrophobicContact CG2-CG 4.25Å; I269-M273 WeakPolarHBondContact O-CG 3.36Å; I269-M273 PolarHBondContact O-N 3.1Å
270	S	98.1	Very high	97.5	Very high	28 Å²	28	62.6 Å²	62.6	20%	0.196	32%	0.318	C	S	.	.	H	α-helix	trans	-60.2	-42.4	178.3	-171.2	0	0	0	0	112.3	E266 S267 K268 K274	E266-S270 WeakPolarHBondContact O-CB 3.45Å; E266-S270 PolarHBondContact O-N 3.22Å; S267-S270 PolarHBondContact O-N 3.15Å; K268-S270 VanDerWaalsContact C-N 3.31Å; K268-S270 PolarHBondContact O-N 3.03Å; S270-K274 WeakPolarHBondContact O-CB 3.33Å; S270-K274 WeakPolarHBondContact O-CD 3.41Å; S270-K274 VanDerWaalsContact O-CG 3.23Å; S270-K274 WeakPolarHBondContact O-CG 3.44Å; S270-K274 PolarHBondContact O-N 3.37Å; S270-K274 WeakPolarHBondContact OG-CE 3.37Å; S270-K274 PolarHBondContact OG-NZ 3.37Å
271	E	98.4	Very high	97.6	Very high	126 Å²	126	63.3 Å²	63.3	59%	0.589	32%	0.322	S	S	*	.	H	α-helix	trans	-63.2	-47.8	175.9	-172.3	-178	169.3	0	0	112	S267 K268 I269 M273 K274 R275	S267-E271 PolarHBondContact O-N 3.11Å; K268-E271 PolarHBondContact O-N 3.06Å; I269-E271 VanDerWaalsContact C-N 3.34Å; I269-E271 PolarHBondContact O-N 2.83Å; E271-M273 PolarHBondContact O-N 3.28Å; E271-K274 PolarHBondContact O-N 3.44Å; E271-R275 WeakPolarHBondContact O-CG 3.09Å; E271-R275 PolarHBondContact O-N 2.91Å
272	E	98.5	Very high	97.7	Very high	27 Å²	27	58.4 Å²	58.4	13%	0.126	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-40.1	178.7	-71.7	-165.7	-133.7	0	0	112	V169 K268 I269 R275 V276 R365 N369	V169-E272 HydrophobicContact CG2-CB 4.08Å; K268-E272 VanDerWaalsContact CE-OE1 3.3Å; K268-E272 WeakPolarHBondContact CE-OE1 3.29Å; K268-E272 PolarHBondContact O-N 3.13Å; I269-E272 PolarHBondContact O-N 3.21Å; E272-R275 WeakPolarHBondContact O-CB 3.47Å; E272-R275 PolarHBondContact O-N 3.29Å; E272-V276 PolarHBondContact O-N 3.21Å; E272-R365 IonicContact OE1-CZ 3.19Å; E272-R365 IonicContact OE1-NE 3.39Å; E272-R365 IonicContact OE1-NH2 2.96Å; E272-R365 PolarHBondContact OE1-NH2 2.64Å; E272-R365 IonicContact OE2-CZ 2.92Å; E272-R365 IonicContact OE2-NE 2.99Å; E272-R365 PolarHBondContact OE2-NE 2.98Å; E272-R365 IonicContact OE2-NH2 2.93Å; E272-R365 PolarHBondContact OE2-NH2 3.3Å; E272-N369 PolarHBondContact OE2-ND2 3.42Å
273	M	98.7	Very high	97.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-75	-29.1	179.2	-62.6	-56.7	87.8	0	0	112.9	W167 V169 V246 M249 I250 I269 E271 V276 M277 N369	W167-M273 HydrophobicContact CH2-SD 4.41Å; W167-M273 HydrophobicContact CZ2-CE 4.43Å; W167-M273 HydrophobicContact CZ2-SD 3.73Å; V169-M273 HydrophobicContact CB-CE 3.72Å; V169-M273 HydrophobicContact CG1-CE 3.7Å; V169-M273 HydrophobicContact CG1-SD 4.22Å; V169-M273 HydrophobicContact CG2-CE 3.85Å; V246-M273 HydrophobicContact CG1-CB 4.38Å; M249-M273 HydrophobicContact CB-CB 3.96Å; M249-M273 HydrophobicContact CB-CG 3.74Å; M249-M273 HydrophobicContact CB-SD 3.66Å; M249-M273 HydrophobicContact CG-SD 4.31Å; M249-M273 HydrophobicContact SD-CB 4.06Å; M249-M273 HydrophobicContact SD-SD 4.31Å; I250-M273 HydrophobicContact CG1-CB 3.94Å; I250-M273 HydrophobicContact CG1-CG 3.97Å; I269-M273 HydrophobicContact CG2-CG 4.25Å; I269-M273 WeakPolarHBondContact O-CG 3.36Å; I269-M273 PolarHBondContact O-N 3.1Å; E271-M273 PolarHBondContact O-N 3.28Å; M273-V276 HydrophobicContact CE-CG2 3.77Å; M273-V276 WeakPolarHBondContact O-CB 3.45Å; M273-V276 PolarHBondContact O-N 2.82Å; M273-M277 PolarHBondContact O-N 2.93Å; M273-N369 HydrophobicContact CE-CB 4.29Å
274	K	98.6	Very high	98	Very high	115 Å²	115	51.8 Å²	51.8	50%	0.5	25%	0.25	S	S	.	.	H	α-helix	trans	-64.3	-41.7	167.5	-75.7	167.8	-176.7	169	0	111.4	V246 S270 E271 V276 M277 D278	V246-K274 HydrophobicContact CG1-CG 4.36Å; S270-K274 WeakPolarHBondContact O-CB 3.33Å; S270-K274 WeakPolarHBondContact O-CD 3.41Å; S270-K274 VanDerWaalsContact O-CG 3.23Å; S270-K274 WeakPolarHBondContact O-CG 3.44Å; S270-K274 PolarHBondContact O-N 3.37Å; S270-K274 WeakPolarHBondContact OG-CE 3.37Å; S270-K274 PolarHBondContact OG-NZ 3.37Å; E271-K274 PolarHBondContact O-N 3.44Å; K274-V276 VanDerWaalsContact C-N 3.29Å; K274-V276 PolarHBondContact O-N 3.26Å; K274-M277 WeakPolarHBondContact O-CB 3.4Å; K274-M277 PolarHBondContact O-N 3.39Å; K274-M277 VanDerWaalsContact O-N 3.12Å; K274-D278 PolarHBondContact O-N 3.43Å
275	R	98.6	Very high	98.1	Very high	105 Å²	105	54.2 Å²	54.2	40%	0.396	27%	0.266	S	S	.	.	H	α-helix	trans	-60.8	-36.1	173.2	-74.9	-70.8	-131.2	139.4	14.8	112.6	E271 E272 D278 L279 E366	E271-R275 WeakPolarHBondContact O-CG 3.09Å; E271-R275 PolarHBondContact O-N 2.91Å; E272-R275 WeakPolarHBondContact O-CB 3.47Å; E272-R275 PolarHBondContact O-N 3.29Å; R275-D278 PolarHBondContact O-N 3.06Å; R275-L279 PolarHBondContact O-N 3.4Å; R275-E366 IonicContact CZ-OE1 3.14Å; R275-E366 IonicContact NE-OE1 3.34Å; R275-E366 PolarHBondContact NE-OE1 2.68Å; R275-E366 IonicContact NH1-OE1 2.68Å; R275-E366 PolarHBondContact NH1-OE1 2.87Å; R275-E366 IonicContact NH2-OE1 3.39Å; R275-E366 PolarHBondContact NH2-OE1 2.71Å
276	V	98.9	Very high	98.3	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-63.2	-44.8	171.9	170.2	0	0	0	0	111.5	M249 E272 M273 K274 L279 E280 N369 Y370	M249-V276 HydrophobicContact CE-CG1 3.96Å; M249-V276 HydrophobicContact SD-CB 4.28Å; M249-V276 HydrophobicContact SD-CG1 3.98Å; E272-V276 PolarHBondContact O-N 3.21Å; M273-V276 HydrophobicContact CE-CG2 3.77Å; M273-V276 WeakPolarHBondContact O-CB 3.45Å; M273-V276 PolarHBondContact O-N 2.82Å; K274-V276 VanDerWaalsContact C-N 3.29Å; K274-V276 PolarHBondContact O-N 3.26Å; V276-L279 PolarHBondContact O-N 3.37Å; V276-E280 PolarHBondContact O-N 3.27Å; V276-N369 HydrophobicContact CG2-CB 3.6Å; V276-Y370 HydrophobicContact CG1-CD2 4.22Å
277	M	98.8	Very high	98.4	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.039	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-42.5	174.9	171.4	61	102.3	0	0	111.8	L226 Y232 C242 Y245 V246 M273 K274 L279 E280 K281	L226-M277 HydrophobicContact CD1-CE 4.17Å; Y232-M277 HydrophobicContact CD1-SD 4.02Å; Y232-M277 HydrophobicContact CE1-SD 4.02Å; C242-M277 HydrophobicContact CB-CE 3.75Å; Y245-M277 HydrophobicContact CD1-CE 3.74Å; Y245-M277 HydrophobicContact CD1-SD 4.45Å; V246-M277 HydrophobicContact CG2-CB 3.86Å; V246-M277 HydrophobicContact CG2-CE 3.94Å; V246-M277 HydrophobicContact CG2-CG 4.09Å; M273-M277 PolarHBondContact O-N 2.93Å; K274-M277 WeakPolarHBondContact O-CB 3.4Å; K274-M277 PolarHBondContact O-N 3.39Å; K274-M277 VanDerWaalsContact O-N 3.12Å; M277-L279 PolarHBondContact O-N 3.26Å; M277-E280 PolarHBondContact O-N 2.83Å; M277-K281 HydrophobicContact CG-CD 4.39Å; M277-K281 HydrophobicContact CG-CG 4.49Å; M277-K281 WeakPolarHBondContact O-CG 3.46Å; M277-K281 PolarHBondContact O-N 2.87Å; M277-K281 HydrophobicContact SD-CD 4.48Å; M277-K281 HydrophobicContact SD-CG 4.09Å
278	D	98.8	Very high	98.5	Very high	71 Å²	71	42 Å²	42	38%	0.38	20%	0.2	S	C	.	.	H	α-helix	trans	-62.8	-42.8	178.2	-66.8	-25.9	0	0	0	111.7	K274 R275 K281 E282	K274-D278 PolarHBondContact O-N 3.43Å; R275-D278 PolarHBondContact O-N 3.06Å; D278-K281 WeakPolarHBondContact O-CB 3.44Å; D278-K281 PolarHBondContact O-N 3.49Å; D278-E282 PolarHBondContact O-N 2.85Å; D278-E282 VanDerWaalsContact O-N 3.1Å
279	L	98.8	Very high	98.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.8	-48.5	172.1	173.4	54.7	0	0	0	111.3	R275 V276 M277 K281 E282 I283 I358 L359 Y362 I367 Y370	R275-L279 PolarHBondContact O-N 3.4Å; V276-L279 PolarHBondContact O-N 3.37Å; M277-L279 PolarHBondContact O-N 3.26Å; L279-K281 VanDerWaalsContact C-N 3.31Å; L279-K281 PolarHBondContact O-N 3.2Å; L279-E282 PolarHBondContact O-N 3.03Å; L279-I283 HydrophobicContact CD1-CD1 3.84Å; L279-I283 HydrophobicContact CD1-CG1 4.13Å; L279-I283 HydrophobicContact CG-CD1 3.89Å; L279-I283 WeakPolarHBondContact O-CG1 3.41Å; L279-I283 PolarHBondContact O-N 2.87Å; L279-I358 HydrophobicContact CD1-CG2 3.88Å; L279-L359 HydrophobicContact CD1-CD2 4.43Å; L279-Y362 WeakPolarHBondContact CA-OH 3.27Å; L279-Y362 HydrophobicContact CB-CD1 4.03Å; L279-Y362 HydrophobicContact CB-CE1 3.6Å; L279-Y362 HydrophobicContact CB-CE2 4.32Å; L279-Y362 HydrophobicContact CD1-CD1 4.33Å; L279-Y362 HydrophobicContact CD1-CD2 3.63Å; L279-Y362 HydrophobicContact CD1-CE1 4.34Å; L279-Y362 HydrophobicContact CD1-CE2 3.66Å; L279-Y362 HydrophobicContact CD1-CG 3.99Å; L279-Y362 HydrophobicContact CD2-CD1 4.37Å; L279-Y362 HydrophobicContact CD2-CG 4.41Å; L279-Y362 HydrophobicContact CG-CD1 4.47Å; L279-Y362 HydrophobicContact CG-CE1 4.42Å; L279-Y362 PolarHBondContact N-OH 2.89Å; L279-I367 HydrophobicContact CD2-CG1 4.4Å; L279-Y370 HydrophobicContact CD2-CD1 4.4Å; L279-Y370 HydrophobicContact CD2-CG 4.08Å
280	E	98.8	Very high	98.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.9	-30.4	-178.7	-162.5	171.7	-144.5	0	0	112.5	L224 G225 Y232 Y245 V276 M277 I283 A284 Y370 R374	L224-E280 HydrophobicContact CD2-CG 4.25Å; G225-E280 PolarHBondContact N-OE1 3.48Å; Y232-E280 HydrophobicContact CE1-CB 3.88Å; Y232-E280 HydrophobicContact CE1-CG 3.56Å; Y232-E280 WeakPolarHBondContact OH-CG 3.2Å; Y232-E280 PolarHBondContact OH-OE1 3.24Å; Y232-E280 PolarHBondContact OH-OE2 2.75Å; Y245-E280 WeakPolarHBondContact CE1-OE2 3.15Å; Y245-E280 VanDerWaalsContact CZ-OE2 3.3Å; Y245-E280 PolarHBondContact OH-OE2 2.92Å; V276-E280 PolarHBondContact O-N 3.27Å; M277-E280 PolarHBondContact O-N 2.83Å; E280-I283 PolarHBondContact O-N 3.41Å; E280-A284 VanDerWaalsContact O-CB 3.23Å; E280-A284 WeakPolarHBondContact O-CB 3.44Å; E280-A284 PolarHBondContact O-N 3.09Å; E280-Y370 HydrophobicContact CB-CD2 4.15Å; E280-Y370 HydrophobicContact CB-CE2 3.87Å; E280-Y370 HydrophobicContact CG-CD2 4.41Å; E280-Y370 HydrophobicContact CG-CE2 3.65Å; E280-Y370 WeakPolarHBondContact OE1-CE2 3.45Å; E280-R374 WeakPolarHBondContact OE1-CD 3.43Å; E280-R374 IonicContact OE1-NE 3.27Å; E280-R374 PolarHBondContact OE1-NE 2.93Å
281	K	98.9	Very high	97.7	Very high	69 Å²	69	44.9 Å²	44.9	30%	0.3	22%	0.22	S	C	.	.	H	α-helix	trans	-61.5	-44.5	169.6	-76.9	177.8	172.8	178.8	0	112.1	Y232 C234 M277 D278 L279 A284 N285	Y232-K281 HydrophobicContact CD1-CB 4.37Å; Y232-K281 HydrophobicContact CD1-CG 3.72Å; Y232-K281 HydrophobicContact CG-CG 4.37Å; C234-K281 WeakPolarHBondContact SG-CE 3.47Å; M277-K281 HydrophobicContact CG-CD 4.39Å; M277-K281 HydrophobicContact CG-CG 4.49Å; M277-K281 WeakPolarHBondContact O-CG 3.46Å; M277-K281 PolarHBondContact O-N 2.87Å; M277-K281 HydrophobicContact SD-CD 4.48Å; M277-K281 HydrophobicContact SD-CG 4.09Å; D278-K281 WeakPolarHBondContact O-CB 3.44Å; D278-K281 PolarHBondContact O-N 3.49Å; L279-K281 VanDerWaalsContact C-N 3.31Å; L279-K281 PolarHBondContact O-N 3.2Å; K281-A284 PolarHBondContact O-N 3.33Å; K281-N285 WeakPolarHBondContact O-CB 3.34Å; K281-N285 PolarHBondContact O-N 3.31Å
282	E	98.7	Very high	97.5	Very high	51 Å²	51	44.2 Å²	44.2	24%	0.238	22%	0.22	C	C	.	.	H	α-helix	trans	-64.9	-41.7	176.5	-72.1	-165.3	-115.2	0	0	111.6	D278 L279 N285 A286 I358 K361 Y362	D278-E282 PolarHBondContact O-N 2.85Å; D278-E282 VanDerWaalsContact O-N 3.1Å; L279-E282 PolarHBondContact O-N 3.03Å; E282-N285 PolarHBondContact O-N 3.35Å; E282-A286 PolarHBondContact O-N 3.31Å; E282-I358 HydrophobicContact CB-CD1 4.1Å; E282-I358 HydrophobicContact CB-CG1 4.13Å; E282-I358 HydrophobicContact CB-CG2 3.78Å; E282-I358 VanDerWaalsContact O-CD1 3.28Å; E282-I358 WeakPolarHBondContact O-CD1 3.17Å; E282-K361 IonicContact OE1-NZ 3.72Å; E282-K361 IonicContact OE2-NZ 3.5Å; E282-K361 PolarHBondContact OE2-NZ 2.98Å; E282-Y362 WeakPolarHBondContact OE1-CE2 3.43Å; E282-Y362 PolarHBondContact OE1-OH 2.93Å
283	I	98.7	Very high	97.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.1	-49.2	174.3	-66.9	165.9	0	0	0	110.4	L200 P222 L224 L279 E280 N285 A286 T287 Y351 Y370	L200-I283 HydrophobicContact CD2-CD1 3.62Å; P222-I283 HydrophobicContact CG-CG2 4.27Å; L224-I283 HydrophobicContact CD2-CG2 4.06Å; L279-I283 HydrophobicContact CD1-CD1 3.84Å; L279-I283 HydrophobicContact CD1-CG1 4.13Å; L279-I283 HydrophobicContact CG-CD1 3.89Å; L279-I283 WeakPolarHBondContact O-CG1 3.41Å; L279-I283 PolarHBondContact O-N 2.87Å; E280-I283 PolarHBondContact O-N 3.41Å; I283-N285 VanDerWaalsContact C-N 3.31Å; I283-N285 PolarHBondContact O-N 3.42Å; I283-A286 WeakPolarHBondContact O-CA 3.41Å; I283-A286 WeakPolarHBondContact O-CB 3.25Å; I283-A286 PolarHBondContact O-N 3.49Å; I283-T287 WeakPolarHBondContact O-CG2 3.08Å; I283-T287 PolarHBondContact O-N 3.31Å; I283-Y351 HydrophobicContact CG2-CE2 4.26Å; I283-Y370 HydrophobicContact CD1-CD1 4.37Å; I283-Y370 HydrophobicContact CD1-CE1 3.89Å; I283-Y370 HydrophobicContact CD1-CE2 4.32Å
284	A	98.8	Very high	96.9	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-42.2	178.6	0	0	0	0	0	111.7	L224 R229 Y232 E280 K281 A286 T287	L224-A284 HydrophobicContact CD1-CB 3.64Å; L224-A284 HydrophobicContact CD2-CB 4.1Å; R229-A284 HydrophobicContact CB-CB 4.42Å; Y232-A284 HydrophobicContact CD1-CB 4.18Å; Y232-A284 HydrophobicContact CD2-CB 3.44Å; Y232-A284 VanDerWaalsContact CD2-CB 3.44Å; Y232-A284 HydrophobicContact CE2-CB 3.96Å; Y232-A284 HydrophobicContact CG-CB 3.56Å; E280-A284 VanDerWaalsContact O-CB 3.23Å; E280-A284 WeakPolarHBondContact O-CB 3.44Å; E280-A284 PolarHBondContact O-N 3.09Å; K281-A284 PolarHBondContact O-N 3.33Å; A284-A286 VanDerWaalsContact C-N 3.27Å; A284-A286 PolarHBondContact O-N 2.86Å; A284-T287 PolarHBondContact O-N 3.02Å; A284-T287 PolarHBondContact O-OG1 3.47Å
285	N	98.4	Very high	96.7	Very high	118 Å²	118	44.3 Å²	44.3	63%	0.631	22%	0.224	S	C	*	.	H	α-helix	trans	-65.8	-30.9	175.8	-173.9	54.7	0	0	0	112.7	K281 E282 I283	K281-N285 WeakPolarHBondContact O-CB 3.34Å; K281-N285 PolarHBondContact O-N 3.31Å; E282-N285 PolarHBondContact O-N 3.35Å; I283-N285 VanDerWaalsContact C-N 3.31Å; I283-N285 PolarHBondContact O-N 3.42Å
286	A	98.3	Very high	96.5	Very high	2 Å²	2	39.7 Å²	39.7	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-75.9	-22	175.1	0	0	0	0	0	114	E282 I283 A284 Y351 R354 I358	E282-A286 PolarHBondContact O-N 3.31Å; I283-A286 WeakPolarHBondContact O-CA 3.41Å; I283-A286 WeakPolarHBondContact O-CB 3.25Å; I283-A286 PolarHBondContact O-N 3.49Å; A284-A286 VanDerWaalsContact C-N 3.27Å; A284-A286 PolarHBondContact O-N 2.86Å; A286-Y351 HydrophobicContact CB-CD2 3.99Å; A286-Y351 HydrophobicContact CB-CE2 4.19Å; A286-R354 HydrophobicContact CB-CB 3.77Å; A286-I358 HydrophobicContact CB-CD1 3.57Å
287	T	98.5	Very high	96.3	Very high	8 Å²	8	42.6 Å²	42.6	5%	0.049	22%	0.222	C	C	.	.	S	Bend	trans	-64.7	137.8	175	65.2	0	0	0	0	111.7	Q221 R229 I283 A284 Y351	Q221-T287 HydrophobicContact CB-CG2 4.24Å; Q221-T287 HydrophobicContact CG-CG2 4.48Å; R229-T287 PolarHBondContact NE-O 2.04Å; I283-T287 WeakPolarHBondContact O-CG2 3.08Å; I283-T287 PolarHBondContact O-N 3.31Å; A284-T287 PolarHBondContact O-N 3.02Å; A284-T287 PolarHBondContact O-OG1 3.47Å; T287-Y351 HydrophobicContact CG2-CD2 4.41Å; T287-Y351 HydrophobicContact CG2-CE2 4.36Å
288	T	97.5	Very high	96.1	Very high	27 Å²	27	48.3 Å²	48.3	17%	0.166	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-72.9	140.7	172.3	-55.5	0	0	0	0	109.4	Q221 D292 R293 D348	Q221-T288 PolarHBondContact NE2-O 2.94Å; Q221-T288 VanDerWaalsContact NE2-O 3.15Å; T288-D292 HydrophobicContact CG2-CB 3.64Å; T288-R293 HydrophobicContact CG2-CG 3.8Å; T288-D348 WeakPolarHBondContact CB-OD2 3.49Å; T288-D348 VanDerWaalsContact OG1-CG 3.3Å; T288-D348 PolarHBondContact OG1-OD1 3.48Å; T288-D348 VanDerWaalsContact OG1-OD1 3.06Å; T288-D348 PolarHBondContact OG1-OD2 3.35Å
289	K	95.7	Very high	96	Very high	99 Å²	99	46.5 Å²	46.5	43%	0.43	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-66.7	158.9	-177.8	-57.2	-178.9	178.3	177.9	0	111.2	E291 D292 R293	K289-E291 VanDerWaalsContact C-N 3.29Å; K289-E291 VanDerWaalsContact CB-OE2 3.31Å; K289-E291 WeakPolarHBondContact CB-OE2 3.44Å; K289-E291 PolarHBondContact O-N 3.42Å; K289-D292 PolarHBondContact O-N 3.42Å; K289-R293 WeakPolarHBondContact O-CD 3.33Å; K289-R293 VanDerWaalsContact O-CG 3.29Å; K289-R293 WeakPolarHBondContact O-CG 3.45Å
290	A	92	Very high	95.9	Very high	58 Å²	58	47.2 Å²	47.2	48%	0.479	25%	0.245	S	C	.	.	S	Bend	trans	-63.1	-37.8	178.7	0	0	0	0	0	111.8	D292 R293	A290-D292 VanDerWaalsContact C-N 3.25Å; A290-D292 PolarHBondContact O-N 3.02Å; A290-R293 PolarHBondContact O-N 3.22Å; A290-R293 VanDerWaalsContact O-N 3.1Å
291	E	89.6	Confident	95.9	Very high	55 Å²	55	50.1 Å²	50.1	26%	0.257	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-62.1	-33.2	179.5	-61.9	75.6	-172.1	0	0	112.4	K289 R293 N294 S640 I642 N643	K289-E291 VanDerWaalsContact C-N 3.29Å; K289-E291 VanDerWaalsContact CB-OE2 3.31Å; K289-E291 WeakPolarHBondContact CB-OE2 3.44Å; K289-E291 PolarHBondContact O-N 3.42Å; E291-R293 VanDerWaalsContact C-N 3.27Å; E291-R293 PolarHBondContact O-N 2.58Å; E291-N294 VanDerWaalsContact O-CG 3.27Å; E291-N294 PolarHBondContact O-OD1 2.99Å; E291-N294 VanDerWaalsContact O-OD1 3.1Å; E291-S640 PolarHBondContact OE1-OG 3.42Å; E291-I642 HydrophobicContact CB-CG2 3.96Å; E291-I642 HydrophobicContact CG-CB 4.1Å; E291-I642 HydrophobicContact CG-CD1 4.47Å; E291-I642 HydrophobicContact CG-CG2 4.06Å; E291-N643 WeakPolarHBondContact CA-OD1 3.45Å; E291-N643 WeakPolarHBondContact CG-OD1 3.08Å; E291-N643 PolarHBondContact N-OD1 2.92Å; E291-N643 PolarHBondContact OE1-ND2 3.23Å; E291-N643 PolarHBondContact OE1-OD1 2.67Å
292	D	93.1	Very high	95.9	Very high	112 Å²	112	51.1 Å²	51.1	60%	0.599	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-87.3	3.1	-178.1	-60.4	-41.1	0	0	0	112	T288 K289 A290	T288-D292 HydrophobicContact CG2-CB 3.64Å; K289-D292 PolarHBondContact O-N 3.42Å; A290-D292 VanDerWaalsContact C-N 3.25Å; A290-D292 PolarHBondContact O-N 3.02Å
293	R	95.1	Very high	95.9	Very high	46 Å²	46	49.6 Å²	49.6	17%	0.174	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-120.9	9.9	-176.6	-67.1	174.9	58.3	95.9	5.9	113.5	D220 T288 K289 A290 E291 L299 D348	D220-R293 VanDerWaalsContact CG-NH2 3.27Å; D220-R293 IonicContact OD1-CZ 3.69Å; D220-R293 IonicContact OD1-NH1 2.76Å; D220-R293 PolarHBondContact OD1-NH1 2.9Å; D220-R293 IonicContact OD1-NH2 3.57Å; D220-R293 PolarHBondContact OD1-NH2 2.99Å; D220-R293 IonicContact OD2-CZ 2.67Å; D220-R293 IonicContact OD2-NH1 2.65Å; D220-R293 IonicContact OD2-NH2 3.26Å; D220-R293 PolarHBondContact OD2-NH2 3.37Å; T288-R293 HydrophobicContact CG2-CG 3.8Å; K289-R293 WeakPolarHBondContact O-CD 3.33Å; K289-R293 VanDerWaalsContact O-CG 3.29Å; K289-R293 WeakPolarHBondContact O-CG 3.45Å; A290-R293 PolarHBondContact O-N 3.22Å; A290-R293 VanDerWaalsContact O-N 3.1Å; E291-R293 VanDerWaalsContact C-N 3.27Å; E291-R293 PolarHBondContact O-N 2.58Å; R293-L299 HydrophobicContact CB-CD1 4.11Å; R293-L299 HydrophobicContact CG-CD1 4.02Å; R293-D348 IonicContact NH1-OD2 3.3Å; R293-D348 PolarHBondContact NH1-OD2 3.06Å
294	N	90.8	Very high	95.9	Very high	59 Å²	59	51.1 Å²	51.1	32%	0.316	27%	0.268	S	S	.	.			trans	-79.9	-22.6	-176.8	63.1	-7.8	0	0	0	113.9	E291 P296	E291-N294 VanDerWaalsContact O-CG 3.27Å; E291-N294 PolarHBondContact O-OD1 2.99Å; E291-N294 VanDerWaalsContact O-OD1 3.1Å; N294-P296 WeakPolarHBondContact O-CD 3.27Å
295	D	93.8	Very high	95.9	Very high	39 Å²	39	51.1 Å²	51.1	21%	0.209	27%	0.267	C	S	.	.			trans	-86.9	104.7	177	-168.9	-33.2	0	0	0	111	I297 L298 L299	D295-I297 PolarHBondContact O-N 2.89Å; D295-I297 VanDerWaalsContact OD1-CB 3.29Å; D295-I297 WeakPolarHBondContact OD1-CB 3.38Å; D295-I297 PolarHBondContact OD1-N 2.68Å; D295-L298 HydrophobicContact CB-CB 4.34Å; D295-L298 HydrophobicContact CB-CD1 4.19Å; D295-L298 HydrophobicContact CB-CG 4.23Å; D295-L298 PolarHBondContact O-N 3.07Å; D295-L298 PolarHBondContact OD1-N 2.78Å; D295-L299 WeakPolarHBondContact O-CB 3.34Å; D295-L299 PolarHBondContact O-N 2.95Å; D295-L299 VanDerWaalsContact O-N 3.08Å
296	P	94.8	Very high	95.9	Very high	9 Å²	9	47.2 Å²	47.2	6%	0.058	25%	0.252	C	S	.	.	H	α-helix	trans	-66.7	-22.9	-177.8	28.4	-35.5	0	0	0	113.1	N294 Y300 N596 F597 L603	N294-P296 WeakPolarHBondContact O-CD 3.27Å; P296-Y300 WeakPolarHBondContact O-CB 3.24Å; P296-Y300 PolarHBondContact O-N 2.96Å; P296-Y300 VanDerWaalsContact O-N 3.13Å; P296-N596 HydrophobicContact CG-CB 3.8Å; P296-N596 WeakPolarHBondContact CG-ND2 3.33Å; P296-F597 HydrophobicContact CB-CE2 4.29Å; P296-F597 HydrophobicContact CB-CZ 4.44Å; P296-F597 HydrophobicContact CG-CE2 4.2Å; P296-L603 HydrophobicContact CB-CD1 3.88Å; P296-L603 HydrophobicContact CB-CD2 4.42Å; P296-L603 HydrophobicContact CG-CD1 3.83Å; P296-L603 WeakPolarHBondContact O-CD2 3.48Å
297	I	94.2	Very high	95.9	Very high	62 Å²	62	51.5 Å²	51.5	32%	0.318	27%	0.272	S	S	.	.	H	α-helix	trans	-69.3	-43.1	178.7	-61.6	-71.9	0	0	0	110.3	D295 N596 L603	D295-I297 PolarHBondContact O-N 2.89Å; D295-I297 VanDerWaalsContact OD1-CB 3.29Å; D295-I297 WeakPolarHBondContact OD1-CB 3.38Å; D295-I297 PolarHBondContact OD1-N 2.68Å; I297-N596 HydrophobicContact CG1-CB 4.38Å; I297-L603 HydrophobicContact CD1-CD1 3.5Å; I297-L603 HydrophobicContact CD1-CD2 4.17Å; I297-L603 HydrophobicContact CD1-CG 3.62Å; I297-L603 HydrophobicContact CG1-CD1 4.11Å
298	L	94.9	Very high	95.9	Very high	129 Å²	129	51.1 Å²	51.1	68%	0.675	27%	0.269	S	S	*	.	H	α-helix	trans	-75.3	-31.9	178.1	-61	-178.6	0	0	0	112.1	D295 Y300 N301	D295-L298 HydrophobicContact CB-CB 4.34Å; D295-L298 HydrophobicContact CB-CD1 4.19Å; D295-L298 HydrophobicContact CB-CG 4.23Å; D295-L298 PolarHBondContact O-N 3.07Å; D295-L298 PolarHBondContact OD1-N 2.78Å; L298-Y300 VanDerWaalsContact C-N 3.33Å; L298-N301 PolarHBondContact O-ND2 2.66Å; L298-N301 VanDerWaalsContact O-ND2 3.15Å
299	L	95.9	Very high	95.8	Very high	32 Å²	32	51.8 Å²	51.8	17%	0.168	27%	0.27	C	S	.	.	H	α-helix	trans	-68.5	-32.8	177.8	-157.2	71.5	0	0	0	111.8	R293 D295 N301 Y347	R293-L299 HydrophobicContact CB-CD1 4.11Å; R293-L299 HydrophobicContact CG-CD1 4.02Å; D295-L299 WeakPolarHBondContact O-CB 3.34Å; D295-L299 PolarHBondContact O-N 2.95Å; D295-L299 VanDerWaalsContact O-N 3.08Å; L299-N301 PolarHBondContact O-N 2.7Å; L299-N301 VanDerWaalsContact O-N 3.13Å; L299-N301 PolarHBondContact O-ND2 3.49Å; L299-Y347 HydrophobicContact CB-CD1 4.36Å; L299-Y347 WeakPolarHBondContact CD1-O 3.42Å; L299-Y347 HydrophobicContact CD2-CD1 3.91Å; L299-Y347 HydrophobicContact CD2-CE1 4.38Å; L299-Y347 HydrophobicContact CD2-CG 4.13Å; L299-Y347 HydrophobicContact CG-CD1 3.69Å; L299-Y347 HydrophobicContact CG-CE1 4.48Å; L299-Y347 HydrophobicContact CG-CG 4.06Å; L299-Y347 WeakPolarHBondContact O-CA 3.14Å; L299-Y347 WeakPolarHBondContact O-CD1 3.37Å
300	Y	98.3	Very high	95.9	Very high	16 Å²	16	53.3 Å²	53.3	6%	0.063	28%	0.283	C	S	.	.			trans	-76.6	98.5	-176.7	-171.7	-85	0	0	0	113.1	D208 D209 K210 P296 L298 K302 V345 L603	D208-Y300 WeakPolarHBondContact OD1-CE2 3.23Å; D208-Y300 PolarHBondContact OD1-OH 2.99Å; D208-Y300 PolarHBondContact OD2-OH 2.85Å; D209-Y300 HydrophobicContact CB-CD2 3.77Å; D209-Y300 HydrophobicContact CB-CE2 3.89Å; K210-Y300 HydrophobicContact CB-CE1 4.31Å; K210-Y300 HydrophobicContact CB-CE2 4.36Å; K210-Y300 HydrophobicContact CD-CD1 3.77Å; K210-Y300 HydrophobicContact CD-CE1 3.47Å; K210-Y300 VanDerWaalsContact CD-CE1 3.47Å; K210-Y300 HydrophobicContact CD-CG 4.5Å; K210-Y300 VanDerWaalsContact CE-CD1 3.46Å; K210-Y300 HydrophobicContact CG-CD1 4.05Å; K210-Y300 HydrophobicContact CG-CD2 4.35Å; K210-Y300 HydrophobicContact CG-CE1 3.7Å; K210-Y300 HydrophobicContact CG-CE2 3.99Å; K210-Y300 HydrophobicContact CG-CG 4.37Å; P296-Y300 WeakPolarHBondContact O-CB 3.24Å; P296-Y300 PolarHBondContact O-N 2.96Å; P296-Y300 VanDerWaalsContact O-N 3.13Å; L298-Y300 VanDerWaalsContact C-N 3.33Å; Y300-K302 HydrophobicContact CD1-CB 4.4Å; Y300-K302 HydrophobicContact CE1-CB 3.62Å; Y300-K302 HydrophobicContact CE1-CD 4.34Å; Y300-K302 WeakPolarHBondContact OH-CD 3.43Å; Y300-V345 HydrophobicContact CD2-CG1 3.87Å; Y300-V345 HydrophobicContact CD2-CG2 4.22Å; Y300-V345 HydrophobicContact CE2-CG1 4.11Å; Y300-V345 HydrophobicContact CE2-CG2 3.59Å; Y300-V345 HydrophobicContact CG-CG1 4.36Å; Y300-L603 HydrophobicContact CD2-CD2 4.27Å; Y300-L603 HydrophobicContact CG-CD2 4.14Å
301	N	98.4	Very high	96.1	Very high	60 Å²	60	55.4 Å²	55.4	32%	0.321	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	91.6	176	-56.9	-93.4	0	0	0	111.3	L298 L299 M303 V346 P349	L298-N301 PolarHBondContact O-ND2 2.66Å; L298-N301 VanDerWaalsContact O-ND2 3.15Å; L299-N301 PolarHBondContact O-N 2.7Å; L299-N301 VanDerWaalsContact O-N 3.13Å; L299-N301 PolarHBondContact O-ND2 3.49Å; N301-M303 HydrophobicContact CB-CE 4.32Å; N301-V346 VanDerWaalsContact CB-O 3.27Å; N301-V346 WeakPolarHBondContact CB-O 3.28Å; N301-V346 PolarHBondContact ND2-O 3.26Å; N301-V346 PolarHBondContact O-N 3.07Å; N301-P349 HydrophobicContact CB-CG 4.21Å
302	K	98.6	Very high	96.4	Very high	91 Å²	91	53.5 Å²	53.5	40%	0.396	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	132.1	178.4	-168.2	178.8	-161.9	147.5	0	111.7	D208 I216 Y300 Q343 V344	D208-K302 IonicContact OD2-NZ 3.56Å; D208-K302 PolarHBondContact OD2-NZ 3Å; I216-K302 HydrophobicContact CD1-CD 4.48Å; I216-K302 HydrophobicContact CD1-CG 4.5Å; Y300-K302 HydrophobicContact CD1-CB 4.4Å; Y300-K302 HydrophobicContact CE1-CB 3.62Å; Y300-K302 HydrophobicContact CE1-CD 4.34Å; Y300-K302 WeakPolarHBondContact OH-CD 3.43Å; K302-Q343 HydrophobicContact CG-CB 4.5Å; K302-V344 WeakPolarHBondContact CA-O 3.44Å
303	M	98.6	Very high	96.3	Very high	19 Å²	19	50.1 Å²	50.1	9%	0.094	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	167.7	177.9	64.9	-171.9	73.3	0	0	111.5	N301 Q307 L308 F312 Q343 V344 V346	N301-M303 HydrophobicContact CB-CE 4.32Å; M303-Q307 HydrophobicContact CB-CB 4.02Å; M303-Q307 HydrophobicContact CG-CB 4.48Å; M303-L308 HydrophobicContact CG-CB 4.49Å; M303-L308 HydrophobicContact SD-CB 4.12Å; M303-L308 HydrophobicContact SD-CD1 4.2Å; M303-F312 HydrophobicContact CE-CE2 3.84Å; M303-F312 HydrophobicContact CE-CZ 4.38Å; M303-F312 HydrophobicContact SD-CD2 4.37Å; M303-F312 HydrophobicContact SD-CE2 3.7Å; M303-Q343 WeakPolarHBondContact O-CA 3.39Å; M303-V344 HydrophobicContact CG-CG2 3.9Å; M303-V344 PolarHBondContact N-O 3.47Å; M303-V344 PolarHBondContact O-N 3.5Å; M303-V346 HydrophobicContact CE-CB 4Å; M303-V346 HydrophobicContact CE-CG2 3.71Å; M303-V346 HydrophobicContact CG-CG2 4.29Å; M303-V346 HydrophobicContact SD-CG2 3.87Å
304	T	98.7	Very high	96	Very high	32 Å²	32	48 Å²	48	20%	0.196	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	155.4	169.1	64.4	0	0	0	0	111.2	A306 Q307 L308 E342 Q343	T304-A306 PolarHBondContact O-N 2.92Å; T304-Q307 WeakPolarHBondContact O-CB 3.37Å; T304-Q307 PolarHBondContact O-N 3.11Å; T304-Q307 WeakPolarHBondContact OG1-CB 3.41Å; T304-Q307 VanDerWaalsContact OG1-CG 3.29Å; T304-Q307 WeakPolarHBondContact OG1-CG 3.32Å; T304-Q307 PolarHBondContact OG1-N 2.92Å; T304-Q307 PolarHBondContact OG1-OE1 2.92Å; T304-L308 PolarHBondContact O-N 3.25Å; T304-E342 CarbonylContact C-O 3.53Å; T304-E342 VanDerWaalsContact CA-O 3.25Å; T304-E342 WeakPolarHBondContact CA-O 3.43Å; T304-Q343 VanDerWaalsContact CG2-NE2 3.29Å
305	L	98.3	Very high	95.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.8	-33.2	170.3	180	54	0	0	0	112.7	L308 Q309 W323 I327 V338 N340 E342	L305-L308 HydrophobicContact CD1-CD2 3.79Å; L305-L308 WeakPolarHBondContact O-CB 3.43Å; L305-L308 PolarHBondContact O-N 3.37Å; L305-Q309 PolarHBondContact O-N 2.8Å; L305-W323 HydrophobicContact CD1-CB 3.77Å; L305-I327 HydrophobicContact CD1-CD1 3.54Å; L305-I327 HydrophobicContact CD2-CD1 4.24Å; L305-V338 HydrophobicContact CD2-CG1 4.01Å; L305-N340 PolarHBondContact N-O 3.36Å; L305-E342 HydrophobicContact CB-CB 4.39Å; L305-E342 PolarHBondContact N-O 3.04Å
306	A	98.3	Very high	95.4	Very high	37 Å²	37	46.5 Å²	46.5	31%	0.306	24%	0.244	S	C	.	.	H	α-helix	trans	-63.3	-43.4	171.3	0	0	0	0	0	112.7	T304 Q309 N310 N340	T304-A306 PolarHBondContact O-N 2.92Å; A306-Q309 PolarHBondContact O-N 3.07Å; A306-N310 VanDerWaalsContact O-CG 3.3Å; A306-N310 PolarHBondContact O-N 3.48Å; A306-N310 VanDerWaalsContact O-N 3.12Å; A306-N310 PolarHBondContact O-ND2 3.25Å; A306-N340 HydrophobicContact CB-CB 4.31Å; A306-N340 PolarHBondContact N-O 3.41Å
307	Q	98.5	Very high	94.7	Very high	92 Å²	92	50.3 Å²	50.3	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-64.8	-40.5	175.2	-75.4	167.4	-34.7	0	0	111.3	M303 T304 Q309 N310 N311	M303-Q307 HydrophobicContact CB-CB 4.02Å; M303-Q307 HydrophobicContact CG-CB 4.48Å; T304-Q307 WeakPolarHBondContact O-CB 3.37Å; T304-Q307 PolarHBondContact O-N 3.11Å; T304-Q307 WeakPolarHBondContact OG1-CB 3.41Å; T304-Q307 VanDerWaalsContact OG1-CG 3.29Å; T304-Q307 WeakPolarHBondContact OG1-CG 3.32Å; T304-Q307 PolarHBondContact OG1-N 2.92Å; T304-Q307 PolarHBondContact OG1-OE1 2.92Å; Q307-Q309 VanDerWaalsContact C-N 3.33Å; Q307-Q309 PolarHBondContact O-N 2.72Å; Q307-N310 PolarHBondContact O-N 3.14Å; Q307-N311 VanDerWaalsContact O-CB 3.3Å; Q307-N311 WeakPolarHBondContact O-CB 3.49Å; Q307-N311 VanDerWaalsContact O-CG 3.24Å; Q307-N311 PolarHBondContact O-N 3.5Å
308	L	98.1	Very high	94.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-55.8	-48.4	174.1	-179.7	78.4	0	0	0	111.2	I219 M303 T304 L305 N310 N311 F312 W323 V344 V346 L352	I219-L308 HydrophobicContact CD1-CD1 4.03Å; I219-L308 HydrophobicContact CD1-CD2 3.33Å; I219-L308 HydrophobicContact CD1-CG 4.36Å; M303-L308 HydrophobicContact CG-CB 4.49Å; M303-L308 HydrophobicContact SD-CB 4.12Å; M303-L308 HydrophobicContact SD-CD1 4.2Å; T304-L308 PolarHBondContact O-N 3.25Å; L305-L308 HydrophobicContact CD1-CD2 3.79Å; L305-L308 WeakPolarHBondContact O-CB 3.43Å; L305-L308 PolarHBondContact O-N 3.37Å; L308-N310 VanDerWaalsContact C-N 3.32Å; L308-N310 PolarHBondContact O-N 3.09Å; L308-N311 PolarHBondContact O-N 2.72Å; L308-F312 HydrophobicContact CD1-CD2 3.7Å; L308-F312 HydrophobicContact CD1-CE2 4.29Å; L308-F312 HydrophobicContact CG-CD2 4.47Å; L308-F312 PolarHBondContact O-N 3.07Å; L308-W323 HydrophobicContact CD1-CZ2 4.5Å; L308-W323 HydrophobicContact CD2-CB 3.99Å; L308-W323 HydrophobicContact CD2-CD2 3.46Å; L308-W323 VanDerWaalsContact CD2-CD2 3.46Å; L308-W323 HydrophobicContact CD2-CE3 3.5Å; L308-W323 VanDerWaalsContact CD2-CE3 3.5Å; L308-W323 HydrophobicContact CD2-CG 3.71Å; L308-W323 HydrophobicContact CD2-CZ3 4.12Å; L308-W323 HydrophobicContact CG-CD2 3.9Å; L308-W323 HydrophobicContact CG-CE3 4.32Å; L308-W323 HydrophobicContact CG-CG 4.05Å; L308-V344 HydrophobicContact CB-CG2 4.49Å; L308-V344 HydrophobicContact CD2-CG2 4.42Å; L308-V346 HydrophobicContact CD1-CG2 3.62Å; L308-L352 HydrophobicContact CD1-CD1 4.23Å
309	Q	97.3	Very high	94	Very high	41 Å²	41	54.7 Å²	54.7	19%	0.192	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-38.5	178.9	-176.1	66	71.4	0	0	113	L305 A306 Q307 F321	L305-Q309 PolarHBondContact O-N 2.8Å; A306-Q309 PolarHBondContact O-N 3.07Å; Q307-Q309 VanDerWaalsContact C-N 3.33Å; Q307-Q309 PolarHBondContact O-N 2.72Å; Q309-F321 PolarHBondContact NE2-O 2.9Å; Q309-F321 PolarHBondContact OE1-O 2.6Å
310	N	96.8	Very high	93.9	Very high	131 Å²	131	57.2 Å²	57.2	70%	0.701	29%	0.294	S	S	*	.	H	α-helix	trans	-74.5	-41.1	-179.3	-70	-20.6	0	0	0	112.4	A306 Q307 L308	A306-N310 VanDerWaalsContact O-CG 3.3Å; A306-N310 PolarHBondContact O-N 3.48Å; A306-N310 VanDerWaalsContact O-N 3.12Å; A306-N310 PolarHBondContact O-ND2 3.25Å; Q307-N310 PolarHBondContact O-N 3.14Å; L308-N310 VanDerWaalsContact C-N 3.32Å; L308-N310 PolarHBondContact O-N 3.09Å
311	N	96.9	Very high	93.7	Very high	101 Å²	101	56.6 Å²	56.6	54%	0.54	29%	0.292	S	S	.	.	H	α-helix	trans	-82.4	-32.8	-174	-66.5	-2.8	0	0	0	112.2	Q307 L308	Q307-N311 VanDerWaalsContact O-CB 3.3Å; Q307-N311 WeakPolarHBondContact O-CB 3.49Å; Q307-N311 VanDerWaalsContact O-CG 3.24Å; Q307-N311 PolarHBondContact O-N 3.5Å; L308-N311 PolarHBondContact O-N 2.72Å
312	F	95.8	Very high	93.7	Very high	16 Å²	16	57 Å²	57	7%	0.07	29%	0.294	C	S	.	.			trans	-124.8	65.6	-172.9	-49.8	-75.9	0	0	0	111.4	M303 L308 V314 W323 P349 L352 I353	M303-F312 HydrophobicContact CE-CE2 3.84Å; M303-F312 HydrophobicContact CE-CZ 4.38Å; M303-F312 HydrophobicContact SD-CD2 4.37Å; M303-F312 HydrophobicContact SD-CE2 3.7Å; L308-F312 HydrophobicContact CD1-CD2 3.7Å; L308-F312 HydrophobicContact CD1-CE2 4.29Å; L308-F312 HydrophobicContact CG-CD2 4.47Å; L308-F312 PolarHBondContact O-N 3.07Å; F312-V314 PolarHBondContact O-N 3.34Å; F312-W323 HydrophobicContact CB-CZ2 4.46Å; F312-W323 PolarHBondContact O-NE1 3.13Å; F312-P349 HydrophobicContact CE1-CB 3.83Å; F312-P349 WeakPolarHBondContact CE1-O 3.23Å; F312-P349 HydrophobicContact CZ-CB 3.74Å; F312-L352 HydrophobicContact CB-CB 4.16Å; F312-L352 HydrophobicContact CB-CD1 4.29Å; F312-L352 HydrophobicContact CD1-CB 3.76Å; F312-L352 HydrophobicContact CD1-CD1 4.37Å; F312-L352 HydrophobicContact CD2-CD1 4.36Å; F312-L352 HydrophobicContact CG-CB 4.09Å; F312-L352 HydrophobicContact CG-CD1 4.07Å; F312-I353 HydrophobicContact CD1-CG1 3.91Å; F312-I353 HydrophobicContact CE1-CD1 4.18Å; F312-I353 HydrophobicContact CE1-CG1 3.9Å
313	S	91	Very high	93.7	Very high	40 Å²	40	52.7 Å²	52.7	28%	0.28	28%	0.276	S	S	.	.			trans	-74.6	115	173	179.4	0	0	0	0	110.6	K356	S313-K356 WeakPolarHBondContact O-CD 3.38Å; S313-K356 WeakPolarHBondContact O-CE 3.48Å; S313-K356 VanDerWaalsContact O-CG 3.31Å; S313-K356 WeakPolarHBondContact O-CG 3.44Å
314	V	87.9	Confident	93.6	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	28%	0.277	C	S	.	.			trans	-104.6	139.9	173.5	179.2	0	0	0	0	108.4	F312 I316 F321 L359	F312-V314 PolarHBondContact O-N 3.34Å; V314-I316 HydrophobicContact CG1-CD1 4.4Å; V314-I316 HydrophobicContact CG1-CG1 4.24Å; V314-F321 HydrophobicContact CB-CB 3.97Å; V314-F321 HydrophobicContact CG1-CB 4.48Å; V314-F321 VanDerWaalsContact O-CB 3.31Å; V314-F321 WeakPolarHBondContact O-CB 3.19Å; V314-F321 PolarHBondContact O-N 3.33Å; V314-L359 HydrophobicContact CG1-CD1 3.87Å
315	E	87.1	Confident	93.6	Very high	59 Å²	59	55.5 Å²	55.5	28%	0.276	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.3	177.5	-173.5	179.9	170.3	0	0	109.2	H318 K319 N360	E315-H318 VanDerWaalsContact OE1-CA 3.31Å; E315-H318 WeakPolarHBondContact OE1-CA 3.04Å; E315-H318 IonicContact OE1-ND1 2.94Å; E315-K319 WeakPolarHBondContact CA-O 3.31Å; E315-N360 VanDerWaalsContact C-OD1 3.31Å; E315-N360 WeakPolarHBondContact CB-OD1 3.42Å; E315-N360 PolarHBondContact O-OD1 3.09Å
316	I	84.2	Confident	93.6	Very high	9 Å²	9	55.5 Å²	55.5	5%	0.046	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	118.5	179.1	-57.4	171.5	0	0	0	107.1	W182 A184 V314 H318 K319 F321 L359 I367	W182-I316 HydrophobicContact CH2-CG2 4.18Å; W182-I316 HydrophobicContact CZ3-CG2 4.05Å; A184-I316 HydrophobicContact CB-CD1 3.26Å; A184-I316 HydrophobicContact CB-CG1 4.45Å; V314-I316 HydrophobicContact CG1-CD1 4.4Å; V314-I316 HydrophobicContact CG1-CG1 4.24Å; I316-H318 PolarHBondContact O-N 3.39Å; I316-K319 PolarHBondContact N-O 3.48Å; I316-K319 WeakPolarHBondContact O-CB 3.46Å; I316-K319 PolarHBondContact O-N 3.44Å; I316-K319 VanDerWaalsContact O-N 3.08Å; I316-F321 HydrophobicContact CD1-CD2 4.36Å; I316-L359 HydrophobicContact CD1-CB 4.46Å; I316-L359 HydrophobicContact CD1-CD1 3.68Å; I316-L359 HydrophobicContact CG1-CB 3.92Å; I316-L359 HydrophobicContact CG1-CD1 4.01Å; I316-I367 HydrophobicContact CG2-CD1 3.63Å
317	N	82.1	Confident	93.6	Very high	88 Å²	88	53.8 Å²	53.8	47%	0.471	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	50.8	-178.9	-169.3	32.6	0	0	0	113	K319 P364	N317-K319 PolarHBondContact O-N 2.8Å; N317-K319 VanDerWaalsContact O-N 3.09Å; N317-P364 HydrophobicContact CB-CG 3.92Å
318	H	83.9	Confident	93.6	Very high	165 Å²	165	50.7 Å²	50.7	76%	0.764	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	14.7	-178.6	-52.8	-60.2	0	0	0	116	E315 I316	E315-H318 VanDerWaalsContact OE1-CA 3.31Å; E315-H318 WeakPolarHBondContact OE1-CA 3.04Å; E315-H318 IonicContact OE1-ND1 2.94Å; I316-H318 PolarHBondContact O-N 3.39Å
319	K	89.2	Confident	93.6	Very high	118 Å²	118	52.1 Å²	52.1	51%	0.513	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.8	175.3	-64.5	179.9	-177.6	176.5	0	109.3	E315 I316 N317 F321	E315-K319 WeakPolarHBondContact CA-O 3.31Å; I316-K319 PolarHBondContact N-O 3.48Å; I316-K319 WeakPolarHBondContact O-CB 3.46Å; I316-K319 PolarHBondContact O-N 3.44Å; I316-K319 VanDerWaalsContact O-N 3.08Å; N317-K319 PolarHBondContact O-N 2.8Å; N317-K319 VanDerWaalsContact O-N 3.09Å; K319-F321 PolarHBondContact O-N 3.18Å
320	V	93.3	Very high	93.6	Very high	85 Å²	85	50.1 Å²	50.1	52%	0.515	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	126	172.8	-179.1	0	0	0	0	108.7	N322	V320-N322 PolarHBondContact O-N 2.93Å
321	F	95.8	Very high	93.7	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.013	23%	0.228	C	C	.	.			trans	-65	124.9	177.3	-171.4	-91.7	0	0	0	110.2	A184 E185 I188 I201 Q309 V314 I316 K319 W323 F326	A184-F321 HydrophobicContact CB-CD2 4.01Å; A184-F321 HydrophobicContact CB-CE2 4.01Å; E185-F321 HydrophobicContact CB-CE2 4.25Å; E185-F321 HydrophobicContact CB-CZ 4.48Å; E185-F321 HydrophobicContact CG-CD2 3.88Å; E185-F321 HydrophobicContact CG-CE1 4.48Å; E185-F321 HydrophobicContact CG-CE2 3.74Å; E185-F321 HydrophobicContact CG-CG 4.33Å; E185-F321 HydrophobicContact CG-CZ 4.06Å; I188-F321 HydrophobicContact CD1-CE2 4.07Å; I201-F321 HydrophobicContact CD1-CE1 4.18Å; I201-F321 HydrophobicContact CD1-CE2 4.48Å; I201-F321 HydrophobicContact CD1-CZ 3.94Å; Q309-F321 PolarHBondContact NE2-O 2.9Å; Q309-F321 PolarHBondContact OE1-O 2.6Å; V314-F321 HydrophobicContact CB-CB 3.97Å; V314-F321 HydrophobicContact CG1-CB 4.48Å; V314-F321 VanDerWaalsContact O-CB 3.31Å; V314-F321 WeakPolarHBondContact O-CB 3.19Å; V314-F321 PolarHBondContact O-N 3.33Å; I316-F321 HydrophobicContact CD1-CD2 4.36Å; K319-F321 PolarHBondContact O-N 3.18Å; F321-W323 HydrophobicContact CD1-CD2 4.06Å; F321-W323 HydrophobicContact CD1-CG 4.19Å; F321-W323 AromaticContact CE1-CD2 3.92Å; F321-W323 HydrophobicContact CE1-CD2 3.92Å; F321-W323 AromaticContact CE1-CE3 3.91Å; F321-W323 HydrophobicContact CE1-CE3 3.91Å; F321-W323 HydrophobicContact CE1-CG 4.33Å; F321-W323 HydrophobicContact CE1-CZ3 4.33Å; F321-F326 HydrophobicContact CE1-CB 3.7Å; F321-F326 HydrophobicContact CE1-CD1 4.09Å; F321-F326 AromaticContact CE1-CG 3.93Å; F321-F326 HydrophobicContact CE1-CG 3.93Å; F321-F326 HydrophobicContact CZ-CB 3.56Å; F321-F326 HydrophobicContact CZ-CD1 4.03Å; F321-F326 AromaticContact CZ-CD2 3.94Å; F321-F326 HydrophobicContact CZ-CD2 3.94Å; F321-F326 AromaticContact CZ-CG 3.57Å; F321-F326 HydrophobicContact CZ-CG 3.57Å
322	N	97.3	Very high	93.8	Very high	70 Å²	70	42.4 Å²	42.4	37%	0.374	23%	0.225	S	C	.	.			trans	-96.4	102.7	178.3	-174.1	-39.1	0	0	0	110.7	E185 V320 S324 K325 F326	E185-N322 PolarHBondContact OE1-N 2.79Å; E185-N322 VanDerWaalsContact OE1-N 3.1Å; V320-N322 PolarHBondContact O-N 2.93Å; N322-S324 VanDerWaalsContact C-N 3.31Å; N322-S324 PolarHBondContact O-N 3.36Å; N322-S324 PolarHBondContact OD1-N 3.33Å; N322-S324 VanDerWaalsContact OD1-N 3.12Å; N322-K325 HydrophobicContact CB-CB 3.84Å; N322-K325 PolarHBondContact O-N 3.3Å; N322-K325 PolarHBondContact OD1-N 3.41Å; N322-F326 PolarHBondContact O-N 2.87Å
323	W	97.9	Very high	93.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-40.3	-179.2	-75	100.1	0	0	0	112.6	I201 I219 L305 L308 F312 F321 K325 F326 I327 L352	I201-W323 HydrophobicContact CD1-CH2 3.8Å; I201-W323 HydrophobicContact CD1-CZ3 4.08Å; I201-W323 HydrophobicContact CG1-CH2 4.43Å; I201-W323 HydrophobicContact CG2-CH2 4.06Å; I201-W323 HydrophobicContact CG2-CZ3 3.92Å; I219-W323 HydrophobicContact CD1-CE3 4.08Å; I219-W323 HydrophobicContact CD1-CZ3 3.78Å; I219-W323 HydrophobicContact CG2-CH2 4.12Å; I219-W323 HydrophobicContact CG2-CZ3 4.1Å; L305-W323 HydrophobicContact CD1-CB 3.77Å; L308-W323 HydrophobicContact CD1-CZ2 4.5Å; L308-W323 HydrophobicContact CD2-CB 3.99Å; L308-W323 HydrophobicContact CD2-CD2 3.46Å; L308-W323 VanDerWaalsContact CD2-CD2 3.46Å; L308-W323 HydrophobicContact CD2-CE3 3.5Å; L308-W323 VanDerWaalsContact CD2-CE3 3.5Å; L308-W323 HydrophobicContact CD2-CG 3.71Å; L308-W323 HydrophobicContact CD2-CZ3 4.12Å; L308-W323 HydrophobicContact CG-CD2 3.9Å; L308-W323 HydrophobicContact CG-CE3 4.32Å; L308-W323 HydrophobicContact CG-CG 4.05Å; F312-W323 HydrophobicContact CB-CZ2 4.46Å; F312-W323 PolarHBondContact O-NE1 3.13Å; F321-W323 HydrophobicContact CD1-CD2 4.06Å; F321-W323 HydrophobicContact CD1-CG 4.19Å; F321-W323 AromaticContact CE1-CD2 3.92Å; F321-W323 HydrophobicContact CE1-CD2 3.92Å; F321-W323 AromaticContact CE1-CE3 3.91Å; F321-W323 HydrophobicContact CE1-CE3 3.91Å; F321-W323 HydrophobicContact CE1-CG 4.33Å; F321-W323 HydrophobicContact CE1-CZ3 4.33Å; W323-K325 PolarHBondContact O-N 3.12Å; W323-F326 HydrophobicContact CE3-CD1 4.05Å; W323-F326 HydrophobicContact CZ3-CD1 4.3Å; W323-F326 HydrophobicContact CZ3-CE1 4.36Å; W323-F326 WeakPolarHBondContact O-CB 3.39Å; W323-F326 PolarHBondContact O-N 3.26Å; W323-I327 WeakPolarHBondContact O-CG1 3.26Å; W323-I327 PolarHBondContact O-N 3.44Å; W323-L352 HydrophobicContact CH2-CD1 4.07Å; W323-L352 HydrophobicContact CH2-CD2 3.93Å; W323-L352 HydrophobicContact CZ2-CD1 4.15Å; W323-L352 HydrophobicContact CZ2-CD2 4.29Å
324	S	97.4	Very high	94.2	Very high	17 Å²	17	43.8 Å²	43.8	12%	0.119	23%	0.233	C	C	.	.	H	α-helix	trans	-66.2	-39	178.6	-50.3	0	0	0	0	112.3	N322 N328 N340	N322-S324 VanDerWaalsContact C-N 3.31Å; N322-S324 PolarHBondContact O-N 3.36Å; N322-S324 PolarHBondContact OD1-N 3.33Å; N322-S324 VanDerWaalsContact OD1-N 3.12Å; S324-N328 VanDerWaalsContact O-CB 3.28Å; S324-N328 WeakPolarHBondContact O-CB 3.13Å; S324-N328 PolarHBondContact O-N 3.49Å; S324-N328 PolarHBondContact O-ND2 2.88Å; S324-N340 WeakPolarHBondContact CB-OD1 3.12Å; S324-N340 PolarHBondContact OG-OD1 2.85Å
325	K	97.6	Very high	94.6	Very high	93 Å²	93	52.7 Å²	52.7	40%	0.404	28%	0.275	S	S	.	.	H	α-helix	trans	-65	-44.2	173.5	-175.6	-176.5	175.7	-168.6	0	111	E185 N322 W323 A329	E185-K325 HydrophobicContact CB-CD 4.44Å; E185-K325 HydrophobicContact CB-CG 4.44Å; E185-K325 HydrophobicContact CG-CD 4.42Å; N322-K325 HydrophobicContact CB-CB 3.84Å; N322-K325 PolarHBondContact O-N 3.3Å; N322-K325 PolarHBondContact OD1-N 3.41Å; W323-K325 PolarHBondContact O-N 3.12Å; K325-A329 WeakPolarHBondContact O-CB 3.06Å; K325-A329 PolarHBondContact O-N 3.22Å
326	F	98.3	Very high	95.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.2	-52.8	176.9	166.6	-115.7	0	0	0	112.1	E185 I188 A189 I201 F203 F321 N322 W323 A329 I330	E185-F326 HydrophobicContact CB-CB 3.95Å; E185-F326 HydrophobicContact CG-CB 4.18Å; I188-F326 HydrophobicContact CB-CD2 4.48Å; I188-F326 HydrophobicContact CB-CE2 3.95Å; I188-F326 HydrophobicContact CG2-CE2 3.59Å; I188-F326 HydrophobicContact CG2-CZ 4.06Å; A189-F326 HydrophobicContact CB-CD2 4.06Å; A189-F326 HydrophobicContact CB-CE2 4.24Å; I201-F326 HydrophobicContact CG2-CE1 4.22Å; I201-F326 HydrophobicContact CG2-CZ 4.43Å; F203-F326 HydrophobicContact CB-CE1 4.01Å; F203-F326 HydrophobicContact CB-CZ 3.87Å; F203-F326 HydrophobicContact CD2-CE1 4.18Å; F203-F326 HydrophobicContact CG-CE1 4.39Å; F203-F326 HydrophobicContact CG-CZ 4.47Å; F321-F326 HydrophobicContact CE1-CB 3.7Å; F321-F326 HydrophobicContact CE1-CD1 4.09Å; F321-F326 AromaticContact CE1-CG 3.93Å; F321-F326 HydrophobicContact CE1-CG 3.93Å; F321-F326 HydrophobicContact CZ-CB 3.56Å; F321-F326 HydrophobicContact CZ-CD1 4.03Å; F321-F326 AromaticContact CZ-CD2 3.94Å; F321-F326 HydrophobicContact CZ-CD2 3.94Å; F321-F326 AromaticContact CZ-CG 3.57Å; F321-F326 HydrophobicContact CZ-CG 3.57Å; N322-F326 PolarHBondContact O-N 2.87Å; W323-F326 HydrophobicContact CE3-CD1 4.05Å; W323-F326 HydrophobicContact CZ3-CD1 4.3Å; W323-F326 HydrophobicContact CZ3-CE1 4.36Å; W323-F326 WeakPolarHBondContact O-CB 3.39Å; W323-F326 PolarHBondContact O-N 3.26Å; F326-A329 WeakPolarHBondContact O-CB 3.42Å; F326-A329 PolarHBondContact O-N 3.26Å; F326-I330 HydrophobicContact CD2-CD1 4.25Å; F326-I330 HydrophobicContact CE1-CD1 4.18Å; F326-I330 HydrophobicContact CE2-CD1 3.56Å; F326-I330 HydrophobicContact CE2-CG1 4.36Å; F326-I330 HydrophobicContact CZ-CD1 3.52Å; F326-I330 PolarHBondContact O-N 3.37Å
327	I	98.6	Very high	95.8	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.3	-44.4	-178.9	-66.7	-178.9	0	0	0	110.9	F203 I217 L305 W323 A329 I330 M331 V338 V344	F203-I327 HydrophobicContact CD2-CG1 4.12Å; F203-I327 HydrophobicContact CE2-CB 4.27Å; F203-I327 HydrophobicContact CE2-CD1 4.19Å; F203-I327 HydrophobicContact CE2-CG1 3.76Å; F203-I327 HydrophobicContact CE2-CG2 3.9Å; F203-I327 HydrophobicContact CZ-CG2 4.27Å; I217-I327 HydrophobicContact CD1-CG2 3.78Å; I217-I327 HydrophobicContact CG2-CD1 4.49Å; L305-I327 HydrophobicContact CD1-CD1 3.54Å; L305-I327 HydrophobicContact CD2-CD1 4.24Å; W323-I327 WeakPolarHBondContact O-CG1 3.26Å; W323-I327 PolarHBondContact O-N 3.44Å; I327-A329 VanDerWaalsContact C-N 3.33Å; I327-A329 PolarHBondContact O-N 2.68Å; I327-I330 WeakPolarHBondContact O-CB 3.47Å; I327-I330 PolarHBondContact O-N 2.9Å; I327-I330 VanDerWaalsContact O-N 3.09Å; I327-M331 HydrophobicContact CG2-CG 4.03Å; I327-M331 WeakPolarHBondContact O-CG 3.35Å; I327-M331 PolarHBondContact O-N 2.92Å; I327-V338 HydrophobicContact CG2-CB 4.05Å; I327-V338 HydrophobicContact CG2-CG1 3.97Å; I327-V338 HydrophobicContact CG2-CG2 3.98Å; I327-V344 HydrophobicContact CD1-CG1 4.43Å
328	N	98.4	Very high	96.6	Very high	27 Å²	27	54.7 Å²	54.7	14%	0.144	28%	0.276	C	S	.	.	H	α-helix	trans	-67.7	-31.3	177.5	-79.8	-72.4	0	0	0	112.7	S324 I330 M331 S332 Y337 V338	S324-N328 VanDerWaalsContact O-CB 3.28Å; S324-N328 WeakPolarHBondContact O-CB 3.13Å; S324-N328 PolarHBondContact O-N 3.49Å; S324-N328 PolarHBondContact O-ND2 2.88Å; N328-I330 PolarHBondContact O-N 2.71Å; N328-M331 PolarHBondContact O-N 3.48Å; N328-S332 WeakPolarHBondContact O-CB 3.41Å; N328-S332 PolarHBondContact O-N 3.45Å; N328-S332 PolarHBondContact O-OG 3Å; N328-Y337 VanDerWaalsContact OD1-CD2 3.28Å; N328-Y337 WeakPolarHBondContact OD1-CD2 3.21Å; N328-V338 PolarHBondContact ND2-O 3.42Å; N328-V338 PolarHBondContact OD1-N 3.09Å; N328-V338 PolarHBondContact OD1-O 3.42Å
329	A	98.2	Very high	97.3	Very high	30 Å²	30	52.3 Å²	52.3	25%	0.248	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-30	171.7	0	0	0	0	0	112	A189 K325 F326 I327 S332	A189-A329 HydrophobicContact CB-CB 3.61Å; K325-A329 WeakPolarHBondContact O-CB 3.06Å; K325-A329 PolarHBondContact O-N 3.22Å; F326-A329 WeakPolarHBondContact O-CB 3.42Å; F326-A329 PolarHBondContact O-N 3.26Å; I327-A329 VanDerWaalsContact C-N 3.33Å; I327-A329 PolarHBondContact O-N 2.68Å; A329-S332 PolarHBondContact O-OG 2.73Å
330	I	98.6	Very high	97.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-78.5	-56.3	172	-62.7	174.1	0	0	0	111	A189 N192 F203 F326 I327 N328 S332 T333 L523	A189-I330 HydrophobicContact CB-CD1 4.35Å; A189-I330 HydrophobicContact CB-CG1 3.56Å; N192-I330 HydrophobicContact CB-CD1 3.94Å; N192-I330 HydrophobicContact CB-CG1 4.43Å; F203-I330 HydrophobicContact CB-CD1 4.01Å; F203-I330 HydrophobicContact CD1-CD1 3.58Å; F203-I330 HydrophobicContact CD1-CG2 3.97Å; F203-I330 HydrophobicContact CD2-CD1 4.27Å; F203-I330 HydrophobicContact CE1-CB 4.3Å; F203-I330 HydrophobicContact CE1-CD1 4.11Å; F203-I330 HydrophobicContact CE1-CG2 3.6Å; F203-I330 HydrophobicContact CG-CD1 3.7Å; F203-I330 HydrophobicContact CZ-CG2 4.3Å; F326-I330 HydrophobicContact CD2-CD1 4.25Å; F326-I330 HydrophobicContact CE1-CD1 4.18Å; F326-I330 HydrophobicContact CE2-CD1 3.56Å; F326-I330 HydrophobicContact CE2-CG1 4.36Å; F326-I330 HydrophobicContact CZ-CD1 3.52Å; F326-I330 PolarHBondContact O-N 3.37Å; I327-I330 WeakPolarHBondContact O-CB 3.47Å; I327-I330 PolarHBondContact O-N 2.9Å; I327-I330 VanDerWaalsContact O-N 3.09Å; N328-I330 PolarHBondContact O-N 2.71Å; I330-S332 VanDerWaalsContact C-N 3.32Å; I330-S332 PolarHBondContact O-N 3.36Å; I330-T333 WeakPolarHBondContact O-CB 3.21Å; I330-T333 WeakPolarHBondContact O-CG2 3.32Å; I330-T333 PolarHBondContact O-N 3.23Å; I330-T333 PolarHBondContact O-OG1 3.42Å; I330-L523 HydrophobicContact CG2-CD1 3.72Å; I330-L523 HydrophobicContact CG2-CD2 3.86Å; I330-L523 HydrophobicContact CG2-CG 4.46Å
331	M	98.6	Very high	97.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-71.7	-23.4	-169.5	-63.4	-50.7	-60.2	0	0	113.9	F203 V205 I327 N328 T333 V334 Q335 I336 V338 L523 L526	F203-M331 HydrophobicContact CE1-SD 4.01Å; F203-M331 HydrophobicContact CZ-CG 4.19Å; F203-M331 HydrophobicContact CZ-SD 3.76Å; V205-M331 HydrophobicContact CG2-CE 4.3Å; V205-M331 HydrophobicContact CG2-SD 4.23Å; I327-M331 HydrophobicContact CG2-CG 4.03Å; I327-M331 WeakPolarHBondContact O-CG 3.35Å; I327-M331 PolarHBondContact O-N 2.92Å; N328-M331 PolarHBondContact O-N 3.48Å; M331-T333 PolarHBondContact O-N 3.22Å; M331-V334 HydrophobicContact CE-CG2 3.86Å; M331-V334 CarbonylContact O-C 3.58Å; M331-V334 WeakPolarHBondContact O-CG2 3.36Å; M331-V334 PolarHBondContact O-N 2.8Å; M331-Q335 PolarHBondContact O-N 3.33Å; M331-I336 CarbonylContact C-O 3.58Å; M331-I336 VanDerWaalsContact C-O 3.27Å; M331-I336 HydrophobicContact CB-CB 4.25Å; M331-I336 VanDerWaalsContact CB-O 3.3Å; M331-I336 WeakPolarHBondContact CB-O 3.05Å; M331-I336 HydrophobicContact CE-CB 4.15Å; M331-I336 HydrophobicContact CE-CD1 3.83Å; M331-I336 HydrophobicContact CE-CG2 4.31Å; M331-I336 PolarHBondContact O-N 3.34Å; M331-I336 VanDerWaalsContact O-N 3.1Å; M331-V338 HydrophobicContact CB-CG2 3.99Å; M331-V338 HydrophobicContact CG-CG2 3.82Å; M331-L523 HydrophobicContact CE-CB 4.39Å; M331-L523 WeakPolarHBondContact CE-O 3.45Å; M331-L523 HydrophobicContact SD-CD2 3.91Å; M331-L526 HydrophobicContact CE-CB 3.91Å; M331-L526 HydrophobicContact CE-CD2 3.43Å; M331-L526 VanDerWaalsContact CE-CD2 3.43Å; M331-L526 HydrophobicContact CE-CG 4.3Å; M331-L526 HydrophobicContact SD-CD2 4.31Å
332	S	97.7	Very high	98	Very high	70 Å²	70	52.7 Å²	52.7	49%	0.49	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-62.5	-24.1	173	57.8	0	0	0	0	113.3	N328 A329 I330 V334 Q335	N328-S332 WeakPolarHBondContact O-CB 3.41Å; N328-S332 PolarHBondContact O-N 3.45Å; N328-S332 PolarHBondContact O-OG 3Å; A329-S332 PolarHBondContact O-OG 2.73Å; I330-S332 VanDerWaalsContact C-N 3.32Å; I330-S332 PolarHBondContact O-N 3.36Å; S332-V334 PolarHBondContact O-N 3.01Å; S332-Q335 PolarHBondContact O-N 2.67Å
333	T	97.5	Very high	98.1	Very high	69 Å²	69	52.8 Å²	52.8	42%	0.423	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-63.2	-20.2	174	65.4	0	0	0	0	113.4	S193 I330 M331	S193-T333 WeakPolarHBondContact OG-CG2 3.45Å; I330-T333 WeakPolarHBondContact O-CB 3.21Å; I330-T333 WeakPolarHBondContact O-CG2 3.32Å; I330-T333 PolarHBondContact O-N 3.23Å; I330-T333 PolarHBondContact O-OG1 3.42Å; M331-T333 PolarHBondContact O-N 3.22Å
334	V	97.9	Very high	98.1	Very high	16 Å²	16	52.8 Å²	52.8	10%	0.097	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-117.1	20.6	174.1	-63.6	0	0	0	0	112.3	M331 S332 I336 K520 L523 K524	M331-V334 HydrophobicContact CE-CG2 3.86Å; M331-V334 CarbonylContact O-C 3.58Å; M331-V334 WeakPolarHBondContact O-CG2 3.36Å; M331-V334 PolarHBondContact O-N 2.8Å; S332-V334 PolarHBondContact O-N 3.01Å; V334-I336 HydrophobicContact CG2-CB 4.42Å; V334-I336 HydrophobicContact CG2-CD1 3.93Å; V334-I336 HydrophobicContact CG2-CG1 4.17Å; V334-I336 PolarHBondContact O-N 3.21Å; V334-K520 HydrophobicContact CG1-CG 3.84Å; V334-L523 HydrophobicContact CB-CB 4.48Å; V334-L523 HydrophobicContact CG1-CB 3.84Å; V334-L523 HydrophobicContact CG2-CB 3.85Å; V334-K524 HydrophobicContact CB-CG 3.98Å; V334-K524 HydrophobicContact CG1-CG 3.88Å
335	Q	97.9	Very high	98.2	Very high	188 Å²	188	52 Å²	52	88%	0.879	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	30.5	175.2	-55.6	170.8	8.7	0	0	113.8	M331 S332	M331-Q335 PolarHBondContact O-N 3.33Å; S332-Q335 PolarHBondContact O-N 2.67Å
336	I	98.3	Very high	98.2	Very high	27 Å²	27	47.5 Å²	47.5	14%	0.138	25%	0.246	C	C	.	.			trans	-106.5	123.4	174.1	-63.2	170.9	0	0	0	108.7	M331 V334 V338 L526 R527	M331-I336 CarbonylContact C-O 3.58Å; M331-I336 VanDerWaalsContact C-O 3.27Å; M331-I336 HydrophobicContact CB-CB 4.25Å; M331-I336 VanDerWaalsContact CB-O 3.3Å; M331-I336 WeakPolarHBondContact CB-O 3.05Å; M331-I336 HydrophobicContact CE-CB 4.15Å; M331-I336 HydrophobicContact CE-CD1 3.83Å; M331-I336 HydrophobicContact CE-CG2 4.31Å; M331-I336 PolarHBondContact O-N 3.34Å; M331-I336 VanDerWaalsContact O-N 3.1Å; V334-I336 HydrophobicContact CG2-CB 4.42Å; V334-I336 HydrophobicContact CG2-CD1 3.93Å; V334-I336 HydrophobicContact CG2-CG1 4.17Å; V334-I336 PolarHBondContact O-N 3.21Å; I336-V338 HydrophobicContact CG2-CG2 4.27Å; I336-L526 HydrophobicContact CD1-CB 4.28Å; I336-L526 HydrophobicContact CG2-CD2 4.26Å; I336-R527 HydrophobicContact CD1-CG 4.18Å
337	Y	97.9	Very high	98.3	Very high	171 Å²	171	49 Å²	49	67%	0.671	25%	0.252	S	S	*	.			trans	-92	139.1	169.2	-177.7	-107.1	0	0	0	110.1	N328 E339	N328-Y337 VanDerWaalsContact OD1-CD2 3.28Å; N328-Y337 WeakPolarHBondContact OD1-CD2 3.21Å; Y337-E339 HydrophobicContact CD1-CG 4.13Å; Y337-E339 HydrophobicContact CE1-CG 3.74Å
338	V	98	Very high	98.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.253	C	S	.	.			trans	-121.3	118.7	-176.3	-179.3	0	0	0	0	109.4	I217 L305 I327 N328 M331 I336 E342	I217-V338 HydrophobicContact CD1-CG1 4.43Å; I217-V338 HydrophobicContact CD1-CG2 4.38Å; L305-V338 HydrophobicContact CD2-CG1 4.01Å; I327-V338 HydrophobicContact CG2-CB 4.05Å; I327-V338 HydrophobicContact CG2-CG1 3.97Å; I327-V338 HydrophobicContact CG2-CG2 3.98Å; N328-V338 PolarHBondContact ND2-O 3.42Å; N328-V338 PolarHBondContact OD1-N 3.09Å; N328-V338 PolarHBondContact OD1-O 3.42Å; M331-V338 HydrophobicContact CB-CG2 3.99Å; M331-V338 HydrophobicContact CG-CG2 3.82Å; I336-V338 HydrophobicContact CG2-CG2 4.27Å; V338-E342 HydrophobicContact CG1-CB 3.42Å; V338-E342 VanDerWaalsContact CG1-CB 3.42Å; V338-E342 HydrophobicContact CG1-CG 3.48Å; V338-E342 VanDerWaalsContact CG1-CG 3.48Å
339	E	97.9	Very high	98.1	Very high	114 Å²	114	49.3 Å²	49.3	53%	0.533	25%	0.254	S	S	.	.			trans	-83.7	163.1	177.8	-67.2	-177.2	173.9	0	0	111.9	Y337 T341 E342	Y337-E339 HydrophobicContact CD1-CG 4.13Å; Y337-E339 HydrophobicContact CE1-CG 3.74Å; E339-T341 WeakPolarHBondContact CB-OG1 3.45Å; E339-T341 PolarHBondContact O-N 3.27Å; E339-T341 VanDerWaalsContact O-N 3.11Å; E339-T341 PolarHBondContact OE2-OG1 3.23Å; E339-E342 WeakPolarHBondContact O-CB 3.42Å; E339-E342 PolarHBondContact O-N 3.43Å
340	N	97.5	Very high	98.1	Very high	89 Å²	89	52.6 Å²	52.6	48%	0.476	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-13.1	177.6	-68.2	-13.6	0	0	0	113.6	L305 A306 S324 E342	L305-N340 PolarHBondContact N-O 3.36Å; A306-N340 HydrophobicContact CB-CB 4.31Å; A306-N340 PolarHBondContact N-O 3.41Å; S324-N340 WeakPolarHBondContact CB-OD1 3.12Å; S324-N340 PolarHBondContact OG-OD1 2.85Å; N340-E342 VanDerWaalsContact C-N 3.33Å
341	T	98.3	Very high	98	Very high	95 Å²	95	52.6 Å²	52.6	58%	0.583	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-9.9	174.2	49.4	0	0	0	0	113	E339 Q343	E339-T341 WeakPolarHBondContact CB-OG1 3.45Å; E339-T341 PolarHBondContact O-N 3.27Å; E339-T341 VanDerWaalsContact O-N 3.11Å; E339-T341 PolarHBondContact OE2-OG1 3.23Å; T341-Q343 PolarHBondContact O-N 3Å
342	E	98.5	Very high	97.9	Very high	30 Å²	30	52.8 Å²	52.8	14%	0.14	27%	0.265	C	S	.	.			trans	-53.3	136.6	178.5	-174.2	69.5	-160.1	0	0	111.4	I217 T304 L305 V338 E339 N340 V344 R527	I217-E342 HydrophobicContact CD1-CG 4.24Å; T304-E342 CarbonylContact C-O 3.53Å; T304-E342 VanDerWaalsContact CA-O 3.25Å; T304-E342 WeakPolarHBondContact CA-O 3.43Å; L305-E342 HydrophobicContact CB-CB 4.39Å; L305-E342 PolarHBondContact N-O 3.04Å; V338-E342 HydrophobicContact CG1-CB 3.42Å; V338-E342 VanDerWaalsContact CG1-CB 3.42Å; V338-E342 HydrophobicContact CG1-CG 3.48Å; V338-E342 VanDerWaalsContact CG1-CG 3.48Å; E339-E342 WeakPolarHBondContact O-CB 3.42Å; E339-E342 PolarHBondContact O-N 3.43Å; N340-E342 VanDerWaalsContact C-N 3.33Å; E342-V344 HydrophobicContact CG-CG1 4.5Å; E342-R527 VanDerWaalsContact CD-NH2 3.26Å; E342-R527 IonicContact OE1-CZ 3.69Å; E342-R527 IonicContact OE1-NH1 3.69Å; E342-R527 PolarHBondContact OE1-NH1 2.82Å; E342-R527 IonicContact OE1-NH2 3.56Å; E342-R527 PolarHBondContact OE1-NH2 3.05Å; E342-R527 IonicContact OE2-CZ 3.93Å; E342-R527 IonicContact OE2-NH1 3.77Å; E342-R527 IonicContact OE2-NH2 2.9Å; E342-R527 PolarHBondContact OE2-NH2 3.2Å
343	Q	98.6	Very high	97.8	Very high	72 Å²	72	53.6 Å²	53.6	34%	0.336	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	132.1	172.1	-61.8	-62.4	-56.1	0	0	110.3	I216 K302 M303 T304 T341	I216-Q343 HydrophobicContact CD1-CB 3.88Å; I216-Q343 WeakPolarHBondContact CG1-O 3.43Å; K302-Q343 HydrophobicContact CG-CB 4.5Å; M303-Q343 WeakPolarHBondContact O-CA 3.39Å; T304-Q343 VanDerWaalsContact CG2-NE2 3.29Å; T341-Q343 PolarHBondContact O-N 3Å
344	V	98.8	Very high	97.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	151.3	174.1	-55.1	0	0	0	0	109.4	I217 K302 M303 L308 I327 E342 V346	I217-V344 HydrophobicContact CB-CB 4.48Å; I217-V344 HydrophobicContact CB-CG1 4.01Å; I217-V344 HydrophobicContact CG2-CB 4.28Å; I217-V344 HydrophobicContact CG2-CG1 3.86Å; I217-V344 CarbonylContact O-C 3.35Å; I217-V344 WeakPolarHBondContact O-CA 3.45Å; K302-V344 WeakPolarHBondContact CA-O 3.44Å; M303-V344 HydrophobicContact CG-CG2 3.9Å; M303-V344 PolarHBondContact N-O 3.47Å; M303-V344 PolarHBondContact O-N 3.5Å; L308-V344 HydrophobicContact CB-CG2 4.49Å; L308-V344 HydrophobicContact CD2-CG2 4.42Å; I327-V344 HydrophobicContact CD1-CG1 4.43Å; E342-V344 HydrophobicContact CG-CG1 4.5Å; V344-V346 HydrophobicContact CG2-CG2 4.33Å
345	V	98.8	Very high	97.7	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.1	170	178.3	0	0	0	0	108.5	I216 I217 H218 I219 Y300 Y347	I216-V345 HydrophobicContact CD1-CG2 3.83Å; I216-V345 HydrophobicContact CG1-CG2 4.29Å; I216-V345 HydrophobicContact CG2-CG2 3.9Å; I217-V345 PolarHBondContact O-N 2.96Å; H218-V345 CarbonylContact C-O 3.54Å; H218-V345 VanDerWaalsContact CA-O 3.32Å; H218-V345 WeakPolarHBondContact CA-O 3.47Å; I219-V345 PolarHBondContact N-O 2.78Å; Y300-V345 HydrophobicContact CD2-CG1 3.87Å; Y300-V345 HydrophobicContact CD2-CG2 4.22Å; Y300-V345 HydrophobicContact CE2-CG1 4.11Å; Y300-V345 HydrophobicContact CE2-CG2 3.59Å; Y300-V345 HydrophobicContact CG-CG1 4.36Å; V345-Y347 HydrophobicContact CG1-CD1 3.87Å; V345-Y347 HydrophobicContact CG1-CE1 3.69Å
346	V	98.8	Very high	97.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	111.4	175.5	-176.3	0	0	0	0	108.4	I219 N301 M303 L308 V344 P349 L352	I219-V346 HydrophobicContact CB-CG2 4.47Å; I219-V346 CarbonylContact O-C 3.56Å; I219-V346 WeakPolarHBondContact O-CA 3.36Å; N301-V346 VanDerWaalsContact CB-O 3.27Å; N301-V346 WeakPolarHBondContact CB-O 3.28Å; N301-V346 PolarHBondContact ND2-O 3.26Å; N301-V346 PolarHBondContact O-N 3.07Å; M303-V346 HydrophobicContact CE-CB 4Å; M303-V346 HydrophobicContact CE-CG2 3.71Å; M303-V346 HydrophobicContact CG-CG2 4.29Å; M303-V346 HydrophobicContact SD-CG2 3.87Å; L308-V346 HydrophobicContact CD1-CG2 3.62Å; V344-V346 HydrophobicContact CG2-CG2 4.33Å; V346-P349 HydrophobicContact CG1-CG 4.04Å; V346-L352 HydrophobicContact CG1-CD1 3.78Å
347	Y	98.6	Very high	97	Very high	32 Å²	32	52.3 Å²	52.3	13%	0.125	25%	0.252	C	S	.	.	S	Bend	trans	-80.3	-28.5	179.8	-73.6	-39.5	0	0	0	113.2	F204 D209 H218 I219 D220 L299 V345	F204-Y347 HydrophobicContact CZ-CD2 4.43Å; F204-Y347 AromaticContact CZ-CE2 3.96Å; F204-Y347 HydrophobicContact CZ-CE2 3.96Å; D209-Y347 PolarHBondContact OD2-OH 3.35Å; H218-Y347 HydrophobicContact CB-CE2 4.38Å; H218-Y347 AromaticContact CD2-CE2 3.43Å; H218-Y347 VanDerWaalsContact CD2-CE2 3.43Å; H218-Y347 WeakPolarHBondContact CD2-CE2 3.47Å; H218-Y347 AromaticContact CD2-CZ 3.41Å; H218-Y347 VanDerWaalsContact CD2-CZ 3.41Å; H218-Y347 PolarHBondContact CD2-OH 3.06Å; H218-Y347 AromaticContact NE2-CZ 3.92Å; H218-Y347 PolarHBondContact NE2-OH 2.59Å; I219-Y347 PolarHBondContact O-N 2.86Å; D220-Y347 HydrophobicContact CB-CD2 4.23Å; L299-Y347 HydrophobicContact CB-CD1 4.36Å; L299-Y347 WeakPolarHBondContact CD1-O 3.42Å; L299-Y347 HydrophobicContact CD2-CD1 3.91Å; L299-Y347 HydrophobicContact CD2-CE1 4.38Å; L299-Y347 HydrophobicContact CD2-CG 4.13Å; L299-Y347 HydrophobicContact CG-CD1 3.69Å; L299-Y347 HydrophobicContact CG-CE1 4.48Å; L299-Y347 HydrophobicContact CG-CG 4.06Å; L299-Y347 WeakPolarHBondContact O-CA 3.14Å; L299-Y347 WeakPolarHBondContact O-CD1 3.37Å; V345-Y347 HydrophobicContact CG1-CD1 3.87Å; V345-Y347 HydrophobicContact CG1-CE1 3.69Å
348	D	97.4	Very high	96.9	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.032	22%	0.222	C	C	.	.			trans	-130.5	76.5	179.6	-151.9	-38.9	0	0	0	113.3	Q221 T288 R293 E350 Y351 L352	Q221-D348 HydrophobicContact CB-CB 4.43Å; Q221-D348 PolarHBondContact OE1-OD2 3.39Å; T288-D348 WeakPolarHBondContact CB-OD2 3.49Å; T288-D348 VanDerWaalsContact OG1-CG 3.3Å; T288-D348 PolarHBondContact OG1-OD1 3.48Å; T288-D348 VanDerWaalsContact OG1-OD1 3.06Å; T288-D348 PolarHBondContact OG1-OD2 3.35Å; R293-D348 IonicContact NH1-OD2 3.3Å; R293-D348 PolarHBondContact NH1-OD2 3.06Å; D348-E350 VanDerWaalsContact C-N 3.29Å; D348-E350 PolarHBondContact O-N 3.01Å; D348-Y351 PolarHBondContact O-N 3.4Å; D348-Y351 WeakPolarHBondContact OD1-CB 3.49Å; D348-Y351 PolarHBondContact OD1-N 2.89Å; D348-L352 PolarHBondContact O-N 3.32Å
349	P	97	Very high	96.6	Very high	26 Å²	26	44.6 Å²	44.6	17%	0.169	22%	0.223	C	C	.	.	H	α-helix	trans	-57	-41.1	175.1	-26.7	36.6	0	0	0	113.1	N301 F312 V346 L352 I353	N301-P349 HydrophobicContact CB-CG 4.21Å; F312-P349 HydrophobicContact CE1-CB 3.83Å; F312-P349 WeakPolarHBondContact CE1-O 3.23Å; F312-P349 HydrophobicContact CZ-CB 3.74Å; V346-P349 HydrophobicContact CG1-CG 4.04Å; P349-L352 PolarHBondContact O-N 3.47Å; P349-I353 WeakPolarHBondContact O-CG1 3.38Å; P349-I353 PolarHBondContact O-N 3.32Å; P349-I353 VanDerWaalsContact O-N 3.12Å
350	E	96.6	Very high	96.2	Very high	100 Å²	100	42.8 Å²	42.8	47%	0.467	22%	0.217	S	C	.	.	H	α-helix	trans	-66.8	-38.9	-177	-71.9	-60.7	151.5	0	0	112.1	D348 L352 I353 R354	D348-E350 VanDerWaalsContact C-N 3.29Å; D348-E350 PolarHBondContact O-N 3.01Å; E350-L352 VanDerWaalsContact C-N 3.35Å; E350-L352 PolarHBondContact O-N 2.79Å; E350-I353 PolarHBondContact O-N 3.01Å; E350-R354 WeakPolarHBondContact O-CG 3.49Å; E350-R354 PolarHBondContact O-N 3.1Å
351	Y	98.1	Very high	96.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.3	-47.6	171.4	169.5	-104.9	0	0	0	111.4	L200 Q221 P222 I283 A286 T287 D348 I353 R354 L355	L200-Y351 WeakPolarHBondContact O-CE1 3.46Å; L200-Y351 PolarHBondContact O-OH 3.45Å; Q221-Y351 HydrophobicContact CB-CD1 3.91Å; Q221-Y351 HydrophobicContact CB-CD2 4.15Å; Q221-Y351 HydrophobicContact CB-CE1 4.26Å; Q221-Y351 HydrophobicContact CB-CE2 4.49Å; Q221-Y351 HydrophobicContact CB-CG 3.86Å; P222-Y351 VanDerWaalsContact CD-CZ 3.42Å; P222-Y351 VanDerWaalsContact CD-OH 3.25Å; P222-Y351 WeakPolarHBondContact CD-OH 3.41Å; I283-Y351 HydrophobicContact CG2-CE2 4.26Å; A286-Y351 HydrophobicContact CB-CD2 3.99Å; A286-Y351 HydrophobicContact CB-CE2 4.19Å; T287-Y351 HydrophobicContact CG2-CD2 4.41Å; T287-Y351 HydrophobicContact CG2-CE2 4.36Å; D348-Y351 PolarHBondContact O-N 3.4Å; D348-Y351 WeakPolarHBondContact OD1-CB 3.49Å; D348-Y351 PolarHBondContact OD1-N 2.89Å; Y351-I353 VanDerWaalsContact C-N 3.3Å; Y351-I353 PolarHBondContact O-N 3.44Å; Y351-R354 PolarHBondContact O-N 2.9Å; Y351-L355 HydrophobicContact CE1-CD2 3.91Å; Y351-L355 HydrophobicContact CE2-CD1 4.45Å; Y351-L355 VanDerWaalsContact O-CB 3.29Å; Y351-L355 WeakPolarHBondContact O-CB 3.22Å; Y351-L355 PolarHBondContact O-N 2.66Å
352	L	97	Very high	96	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-36.8	-179.8	-63.6	-177.3	0	0	0	112.3	I219 L308 F312 W323 V346 D348 P349 E350	I219-L352 HydrophobicContact CG2-CD1 4.08Å; I219-L352 HydrophobicContact CG2-CD2 4.41Å; L308-L352 HydrophobicContact CD1-CD1 4.23Å; F312-L352 HydrophobicContact CB-CB 4.16Å; F312-L352 HydrophobicContact CB-CD1 4.29Å; F312-L352 HydrophobicContact CD1-CB 3.76Å; F312-L352 HydrophobicContact CD1-CD1 4.37Å; F312-L352 HydrophobicContact CD2-CD1 4.36Å; F312-L352 HydrophobicContact CG-CB 4.09Å; F312-L352 HydrophobicContact CG-CD1 4.07Å; W323-L352 HydrophobicContact CH2-CD1 4.07Å; W323-L352 HydrophobicContact CH2-CD2 3.93Å; W323-L352 HydrophobicContact CZ2-CD1 4.15Å; W323-L352 HydrophobicContact CZ2-CD2 4.29Å; V346-L352 HydrophobicContact CG1-CD1 3.78Å; D348-L352 PolarHBondContact O-N 3.32Å; P349-L352 PolarHBondContact O-N 3.47Å; E350-L352 VanDerWaalsContact C-N 3.35Å; E350-L352 PolarHBondContact O-N 2.79Å
353	I	95.6	Very high	95.9	Very high	87 Å²	87	42.3 Å²	42.3	45%	0.446	21%	0.207	S	C	.	.	H	α-helix	trans	-62.2	-48.6	174.1	-67.3	168.1	0	0	0	110.5	F312 P349 E350 Y351 K356	F312-I353 HydrophobicContact CD1-CG1 3.91Å; F312-I353 HydrophobicContact CE1-CD1 4.18Å; F312-I353 HydrophobicContact CE1-CG1 3.9Å; P349-I353 WeakPolarHBondContact O-CG1 3.38Å; P349-I353 PolarHBondContact O-N 3.32Å; P349-I353 VanDerWaalsContact O-N 3.12Å; E350-I353 PolarHBondContact O-N 3.01Å; Y351-I353 VanDerWaalsContact C-N 3.3Å; Y351-I353 PolarHBondContact O-N 3.44Å; I353-K356 WeakPolarHBondContact O-CB 3.18Å
354	R	96.2	Very high	95.8	Very high	116 Å²	116	39.7 Å²	39.7	44%	0.438	20%	0.197	S	C	.	.	H	α-helix	trans	-66.7	-38.5	-179.9	-67.5	177	-133.8	-127.9	5.9	112.1	A286 E350 Y351 K356 S357 I358	A286-R354 HydrophobicContact CB-CB 3.77Å; E350-R354 WeakPolarHBondContact O-CG 3.49Å; E350-R354 PolarHBondContact O-N 3.1Å; Y351-R354 PolarHBondContact O-N 2.9Å; R354-K356 PolarHBondContact O-N 3.46Å; R354-S357 PolarHBondContact O-N 3.3Å; R354-S357 PolarHBondContact O-OG 3.32Å; R354-I358 PolarHBondContact O-N 2.9Å
355	L	95.6	Very high	95.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.3	-36.5	-178.3	-173.2	63.1	0	0	0	112.3	I201 Y351 S357 I358 L359	I201-L355 HydrophobicContact CG1-CD2 4.07Å; Y351-L355 HydrophobicContact CE1-CD2 3.91Å; Y351-L355 HydrophobicContact CE2-CD1 4.45Å; Y351-L355 VanDerWaalsContact O-CB 3.29Å; Y351-L355 WeakPolarHBondContact O-CB 3.22Å; Y351-L355 PolarHBondContact O-N 2.66Å; L355-S357 VanDerWaalsContact C-N 3.29Å; L355-S357 PolarHBondContact O-N 3.21Å; L355-I358 PolarHBondContact O-N 3.01Å; L355-I358 VanDerWaalsContact O-N 3.11Å; L355-L359 HydrophobicContact CD1-CD1 3.99Å; L355-L359 HydrophobicContact CD1-CD2 3.95Å; L355-L359 HydrophobicContact CD1-CG 3.79Å; L355-L359 HydrophobicContact CD2-CD1 4.2Å; L355-L359 HydrophobicContact CG-CD1 3.83Å; L355-L359 HydrophobicContact CG-CG 3.98Å; L355-L359 PolarHBondContact O-N 2.65Å
356	K	91.4	Very high	95.7	Very high	89 Å²	89	42.6 Å²	42.6	39%	0.387	21%	0.208	S	C	.	.	H	α-helix	trans	-51.5	-47.3	174.9	-178.4	-171.5	-169.4	172.2	0	112.4	S313 I353 R354 I358 N360	S313-K356 WeakPolarHBondContact O-CD 3.38Å; S313-K356 WeakPolarHBondContact O-CE 3.48Å; S313-K356 VanDerWaalsContact O-CG 3.31Å; S313-K356 WeakPolarHBondContact O-CG 3.44Å; I353-K356 WeakPolarHBondContact O-CB 3.18Å; R354-K356 PolarHBondContact O-N 3.46Å; K356-I358 VanDerWaalsContact C-N 3.29Å; K356-I358 PolarHBondContact O-N 3.41Å; K356-N360 PolarHBondContact O-ND2 2.87Å
357	S	90.4	Very high	95.7	Very high	68 Å²	68	42.6 Å²	42.6	48%	0.476	21%	0.208	S	C	.	.	H	α-helix	trans	-72	-26.2	-176.9	71.7	0	0	0	0	112.9	R354 L355 K361	R354-S357 PolarHBondContact O-N 3.3Å; R354-S357 PolarHBondContact O-OG 3.32Å; L355-S357 VanDerWaalsContact C-N 3.29Å; L355-S357 PolarHBondContact O-N 3.21Å; S357-K361 WeakPolarHBondContact O-CE 3.2Å
358	I	95.3	Very high	95.7	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.041	20%	0.203	C	C	.	.	H	α-helix	trans	-77.4	-55.7	-179.1	-63.8	167.9	0	0	0	109.3	L279 E282 A286 R354 L355 K356 N360 K361 Y362	L279-I358 HydrophobicContact CD1-CG2 3.88Å; E282-I358 HydrophobicContact CB-CD1 4.1Å; E282-I358 HydrophobicContact CB-CG1 4.13Å; E282-I358 HydrophobicContact CB-CG2 3.78Å; E282-I358 VanDerWaalsContact O-CD1 3.28Å; E282-I358 WeakPolarHBondContact O-CD1 3.17Å; A286-I358 HydrophobicContact CB-CD1 3.57Å; R354-I358 PolarHBondContact O-N 2.9Å; L355-I358 PolarHBondContact O-N 3.01Å; L355-I358 VanDerWaalsContact O-N 3.11Å; K356-I358 VanDerWaalsContact C-N 3.29Å; K356-I358 PolarHBondContact O-N 3.41Å; I358-N360 PolarHBondContact O-N 3.09Å; I358-N360 VanDerWaalsContact O-N 3.14Å; I358-K361 WeakPolarHBondContact O-CB 3.39Å; I358-K361 PolarHBondContact O-N 2.76Å; I358-Y362 HydrophobicContact CG2-CD2 4.4Å; I358-Y362 HydrophobicContact CG2-CE2 4.1Å; I358-Y362 VanDerWaalsContact O-CD2 3.29Å; I358-Y362 WeakPolarHBondContact O-CD2 3.4Å
359	L	92.9	Very high	95.7	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-66	-23.5	-171	-57.5	-175.1	0	0	0	113.7	L200 L279 V314 I316 L355 K361 Y362 I367	L200-L359 HydrophobicContact CD2-CD2 4.07Å; L279-L359 HydrophobicContact CD1-CD2 4.43Å; V314-L359 HydrophobicContact CG1-CD1 3.87Å; I316-L359 HydrophobicContact CD1-CB 4.46Å; I316-L359 HydrophobicContact CD1-CD1 3.68Å; I316-L359 HydrophobicContact CG1-CB 3.92Å; I316-L359 HydrophobicContact CG1-CD1 4.01Å; L355-L359 HydrophobicContact CD1-CD1 3.99Å; L355-L359 HydrophobicContact CD1-CD2 3.95Å; L355-L359 HydrophobicContact CD1-CG 3.79Å; L355-L359 HydrophobicContact CD2-CD1 4.2Å; L355-L359 HydrophobicContact CG-CD1 3.83Å; L355-L359 HydrophobicContact CG-CG 3.98Å; L355-L359 PolarHBondContact O-N 2.65Å; L359-K361 PolarHBondContact O-N 3.39Å; L359-Y362 PolarHBondContact O-N 3.21Å; L359-I367 HydrophobicContact CD2-CD1 4.43Å
360	N	89.9	Confident	95.8	Very high	76 Å²	76	39.7 Å²	39.7	41%	0.406	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-18.1	172.4	-86.1	-23	0	0	0	114.2	E315 K356 I358	E315-N360 VanDerWaalsContact C-OD1 3.31Å; E315-N360 WeakPolarHBondContact CB-OD1 3.42Å; E315-N360 PolarHBondContact O-OD1 3.09Å; K356-N360 PolarHBondContact O-ND2 2.87Å; I358-N360 PolarHBondContact O-N 3.09Å; I358-N360 VanDerWaalsContact O-N 3.14Å
361	K	94.1	Very high	95.9	Very high	122 Å²	122	34.9 Å²	34.9	53%	0.53	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-13.2	179	-57.9	174.8	-171	171.6	0	113.4	E282 S357 I358 L359	E282-K361 IonicContact OE1-NZ 3.72Å; E282-K361 IonicContact OE2-NZ 3.5Å; E282-K361 PolarHBondContact OE2-NZ 2.98Å; S357-K361 WeakPolarHBondContact O-CE 3.2Å; I358-K361 WeakPolarHBondContact O-CB 3.39Å; I358-K361 PolarHBondContact O-N 2.76Å; L359-K361 PolarHBondContact O-N 3.39Å
362	Y	96.1	Very high	96	Very high	14 Å²	14	34.9 Å²	34.9	6%	0.055	17%	0.171	C	C	.	.	S	Bend	trans	-118.3	143	-170.5	-64.9	-90.1	0	0	0	111.4	L279 E282 I358 L359 E366	L279-Y362 WeakPolarHBondContact CA-OH 3.27Å; L279-Y362 HydrophobicContact CB-CD1 4.03Å; L279-Y362 HydrophobicContact CB-CE1 3.6Å; L279-Y362 HydrophobicContact CB-CE2 4.32Å; L279-Y362 HydrophobicContact CD1-CD1 4.33Å; L279-Y362 HydrophobicContact CD1-CD2 3.63Å; L279-Y362 HydrophobicContact CD1-CE1 4.34Å; L279-Y362 HydrophobicContact CD1-CE2 3.66Å; L279-Y362 HydrophobicContact CD1-CG 3.99Å; L279-Y362 HydrophobicContact CD2-CD1 4.37Å; L279-Y362 HydrophobicContact CD2-CG 4.41Å; L279-Y362 HydrophobicContact CG-CD1 4.47Å; L279-Y362 HydrophobicContact CG-CE1 4.42Å; L279-Y362 PolarHBondContact N-OH 2.89Å; E282-Y362 WeakPolarHBondContact OE1-CE2 3.43Å; E282-Y362 PolarHBondContact OE1-OH 2.93Å; I358-Y362 HydrophobicContact CG2-CD2 4.4Å; I358-Y362 HydrophobicContact CG2-CE2 4.1Å; I358-Y362 VanDerWaalsContact O-CD2 3.29Å; I358-Y362 WeakPolarHBondContact O-CD2 3.4Å; L359-Y362 PolarHBondContact O-N 3.21Å; Y362-E366 HydrophobicContact CD1-CB 4.09Å
363	T	96.4	Very high	96.1	Very high	67 Å²	67	34.8 Å²	34.8	41%	0.411	17%	0.17	S	C	.	.			trans	-77	159.7	176.4	61.7	0	0	0	0	111.3	R365 E366 I367	T363-R365 PolarHBondContact O-N 2.96Å; T363-R365 VanDerWaalsContact O-N 3.15Å; T363-E366 WeakPolarHBondContact CB-OE2 3.31Å; T363-E366 WeakPolarHBondContact CG2-OE2 3.45Å; T363-E366 PolarHBondContact N-OE2 3.26Å; T363-E366 PolarHBondContact O-N 3.27Å; T363-E366 VanDerWaalsContact O-N 3.1Å; T363-E366 WeakPolarHBondContact OG1-CG 3.37Å; T363-E366 PolarHBondContact OG1-N 3.35Å; T363-E366 PolarHBondContact OG1-OE2 3.47Å; T363-I367 WeakPolarHBondContact O-CG1 3.42Å; T363-I367 PolarHBondContact O-N 3.42Å
364	P	96.6	Very high	96.2	Very high	18 Å²	18	31.3 Å²	31.3	12%	0.117	15%	0.152	C	C	.	.	H	α-helix	trans	-49.7	-37.5	170.2	-32.1	38.9	0	0	0	114	W174 W182 N317 Q368	W174-P364 HydrophobicContact CH2-CB 4.21Å; W174-P364 HydrophobicContact CZ3-CB 4.44Å; W182-P364 HydrophobicContact CD2-CB 4.03Å; W182-P364 HydrophobicContact CE3-CB 3.59Å; W182-P364 HydrophobicContact CE3-CG 4.07Å; W182-P364 HydrophobicContact CH2-CB 4.32Å; W182-P364 HydrophobicContact CZ3-CB 3.76Å; W182-P364 HydrophobicContact CZ3-CG 4.03Å; N317-P364 HydrophobicContact CB-CG 3.92Å; P364-Q368 WeakPolarHBondContact O-CB 3.36Å; P364-Q368 PolarHBondContact O-N 3.15Å
365	R	97.7	Very high	96.3	Very high	38 Å²	38	26 Å²	26	14%	0.143	13%	0.132	C	C	.	.	H	α-helix	trans	-63	-49.5	177.4	-171.3	-163.8	177	75	6	111.6	P168 W174 E175 E272 T363 Q368 N369	P168-R365 VanDerWaalsContact C-NH2 3.28Å; P168-R365 HydrophobicContact CB-CG 3.5Å; P168-R365 VanDerWaalsContact CB-CG 3.5Å; P168-R365 HydrophobicContact CG-CG 4Å; P168-R365 PolarHBondContact O-NH2 2.95Å; W174-R365 HydrophobicContact CE3-CB 4.13Å; W174-R365 HydrophobicContact CE3-CG 4.15Å; W174-R365 HydrophobicContact CZ3-CB 3.93Å; W174-R365 HydrophobicContact CZ3-CG 4.43Å; E175-R365 VanDerWaalsContact OE1-CD 3.28Å; E175-R365 WeakPolarHBondContact OE1-CD 3.25Å; E175-R365 IonicContact OE1-CZ 3.97Å; E175-R365 IonicContact OE1-NE 3.02Å; E175-R365 IonicContact OE1-NH1 2.9Å; E175-R365 PolarHBondContact OE1-NH1 3.45Å; E175-R365 IonicContact OE2-NH1 3.97Å; E272-R365 IonicContact OE1-CZ 3.19Å; E272-R365 IonicContact OE1-NE 3.39Å; E272-R365 IonicContact OE1-NH2 2.96Å; E272-R365 PolarHBondContact OE1-NH2 2.64Å; E272-R365 IonicContact OE2-CZ 2.92Å; E272-R365 IonicContact OE2-NE 2.99Å; E272-R365 PolarHBondContact OE2-NE 2.98Å; E272-R365 IonicContact OE2-NH2 2.93Å; E272-R365 PolarHBondContact OE2-NH2 3.3Å; T363-R365 PolarHBondContact O-N 2.96Å; T363-R365 VanDerWaalsContact O-N 3.15Å; R365-Q368 PolarHBondContact O-N 2.9Å; R365-N369 WeakPolarHBondContact O-CB 3.4Å; R365-N369 PolarHBondContact O-N 3.32Å
366	E	98.2	Very high	96.5	Very high	23 Å²	23	26 Å²	26	11%	0.107	13%	0.132	C	C	.	.	H	α-helix	trans	-65.3	-41.4	-178.9	-70.4	162.4	133.9	0	0	111.5	R275 Y362 T363 N369 Y370	R275-E366 IonicContact CZ-OE1 3.14Å; R275-E366 IonicContact NE-OE1 3.34Å; R275-E366 PolarHBondContact NE-OE1 2.68Å; R275-E366 IonicContact NH1-OE1 2.68Å; R275-E366 PolarHBondContact NH1-OE1 2.87Å; R275-E366 IonicContact NH2-OE1 3.39Å; R275-E366 PolarHBondContact NH2-OE1 2.71Å; Y362-E366 HydrophobicContact CD1-CB 4.09Å; T363-E366 WeakPolarHBondContact CB-OE2 3.31Å; T363-E366 WeakPolarHBondContact CG2-OE2 3.45Å; T363-E366 PolarHBondContact N-OE2 3.26Å; T363-E366 PolarHBondContact O-N 3.27Å; T363-E366 VanDerWaalsContact O-N 3.1Å; T363-E366 WeakPolarHBondContact OG1-CG 3.37Å; T363-E366 PolarHBondContact OG1-N 3.35Å; T363-E366 PolarHBondContact OG1-OE2 3.47Å; E366-N369 PolarHBondContact O-N 3.08Å; E366-Y370 PolarHBondContact O-N 3.37Å; E366-Y370 VanDerWaalsContact O-N 3.11Å
367	I	98.3	Very high	96.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.5	-46.3	175.7	-64.6	172	0	0	0	110.5	W182 L200 L279 I316 L359 T363 N369 Y370 M371	W182-I367 HydrophobicContact CH2-CB 4.48Å; W182-I367 HydrophobicContact CH2-CG2 4.2Å; W182-I367 HydrophobicContact CZ2-CG2 4.16Å; L200-I367 HydrophobicContact CD1-CG2 3.55Å; L279-I367 HydrophobicContact CD2-CG1 4.4Å; I316-I367 HydrophobicContact CG2-CD1 3.63Å; L359-I367 HydrophobicContact CD2-CD1 4.43Å; T363-I367 WeakPolarHBondContact O-CG1 3.42Å; T363-I367 PolarHBondContact O-N 3.42Å; I367-N369 PolarHBondContact O-N 3.33Å; I367-Y370 WeakPolarHBondContact O-CB 3.35Å; I367-Y370 PolarHBondContact O-N 2.9Å; I367-M371 HydrophobicContact CG2-CE 4.19Å; I367-M371 HydrophobicContact CG2-CG 4.41Å; I367-M371 HydrophobicContact CG2-SD 4.33Å; I367-M371 WeakPolarHBondContact O-CG 3.41Å; I367-M371 PolarHBondContact O-N 3.27Å
368	Q	98.5	Very high	97.1	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-63.7	-39.6	177.1	-176.5	71.2	17.8	0	0	112	V164 D166 P168 W174 P364 R365 Y370 M371 I372	V164-Q368 PolarHBondContact O-NE2 3.39Å; D166-Q368 PolarHBondContact O-NE2 3.34Å; D166-Q368 VanDerWaalsContact O-NE2 3.12Å; P168-Q368 HydrophobicContact CG-CB 3.8Å; P168-Q368 HydrophobicContact CG-CG 3.71Å; W174-Q368 HydrophobicContact CH2-CB 4.18Å; W174-Q368 HydrophobicContact CZ2-CB 3.79Å; W174-Q368 HydrophobicContact CZ2-CG 3.63Å; P364-Q368 WeakPolarHBondContact O-CB 3.36Å; P364-Q368 PolarHBondContact O-N 3.15Å; R365-Q368 PolarHBondContact O-N 2.9Å; Q368-Y370 VanDerWaalsContact C-N 3.3Å; Q368-Y370 PolarHBondContact O-N 3.37Å; Q368-M371 PolarHBondContact O-N 3.3Å; Q368-I372 HydrophobicContact CG-CG1 4.17Å; Q368-I372 WeakPolarHBondContact O-CB 3.33Å; Q368-I372 WeakPolarHBondContact O-CG1 3.35Å; Q368-I372 PolarHBondContact O-N 3.4Å
369	N	98.9	Very high	97.3	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-57	-44.7	174.6	-90.3	-26.2	0	0	0	111.5	W167 P168 V169 E272 M273 V276 R365 E366 I367 W373	W167-N369 PolarHBondContact NE1-O 3.1Å; P168-N369 WeakPolarHBondContact CB-OD1 3.29Å; P168-N369 VanDerWaalsContact CD-OD1 3.27Å; P168-N369 WeakPolarHBondContact CD-OD1 3.3Å; P168-N369 WeakPolarHBondContact CG-OD1 3.34Å; V169-N369 PolarHBondContact N-OD1 2.9Å; E272-N369 PolarHBondContact OE2-ND2 3.42Å; M273-N369 HydrophobicContact CE-CB 4.29Å; V276-N369 HydrophobicContact CG2-CB 3.6Å; R365-N369 WeakPolarHBondContact O-CB 3.4Å; R365-N369 PolarHBondContact O-N 3.32Å; E366-N369 PolarHBondContact O-N 3.08Å; I367-N369 PolarHBondContact O-N 3.33Å; N369-W373 WeakPolarHBondContact O-CB 3.46Å; N369-W373 PolarHBondContact O-N 3.23Å
370	Y	98.9	Very high	97.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.6	-53	173.8	164.1	-101.1	0	0	0	112	V199 L200 V276 L279 E280 I283 E366 I367 Q368 I372 W373 R374	V199-Y370 HydrophobicContact CB-CE1 4.26Å; L200-Y370 HydrophobicContact CD2-CD1 3.78Å; L200-Y370 HydrophobicContact CD2-CE1 3.52Å; L200-Y370 HydrophobicContact CG-CD1 4.32Å; L200-Y370 HydrophobicContact CG-CE1 4.01Å; V276-Y370 HydrophobicContact CG1-CD2 4.22Å; L279-Y370 HydrophobicContact CD2-CD1 4.4Å; L279-Y370 HydrophobicContact CD2-CG 4.08Å; E280-Y370 HydrophobicContact CB-CD2 4.15Å; E280-Y370 HydrophobicContact CB-CE2 3.87Å; E280-Y370 HydrophobicContact CG-CD2 4.41Å; E280-Y370 HydrophobicContact CG-CE2 3.65Å; E280-Y370 WeakPolarHBondContact OE1-CE2 3.45Å; I283-Y370 HydrophobicContact CD1-CD1 4.37Å; I283-Y370 HydrophobicContact CD1-CE1 3.89Å; I283-Y370 HydrophobicContact CD1-CE2 4.32Å; E366-Y370 PolarHBondContact O-N 3.37Å; E366-Y370 VanDerWaalsContact O-N 3.11Å; I367-Y370 WeakPolarHBondContact O-CB 3.35Å; I367-Y370 PolarHBondContact O-N 2.9Å; Q368-Y370 VanDerWaalsContact C-N 3.3Å; Q368-Y370 PolarHBondContact O-N 3.37Å; Y370-I372 VanDerWaalsContact C-N 3.32Å; Y370-I372 PolarHBondContact O-N 3.27Å; Y370-W373 PolarHBondContact O-N 3.28Å; Y370-R374 HydrophobicContact CD2-CG 4.04Å; Y370-R374 HydrophobicContact CE1-CG 4.41Å; Y370-R374 HydrophobicContact CE2-CG 3.63Å; Y370-R374 VanDerWaalsContact O-CG 3.27Å; Y370-R374 WeakPolarHBondContact O-CG 3.46Å; Y370-R374 PolarHBondContact O-N 3.38Å
371	M	98.8	Very high	97.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.7	-44	-175.3	-71.8	-167.2	-56.7	0	0	112.5	W182 A187 I188 L191 V199 L200 I367 Q368 F375	W182-M371 HydrophobicContact CZ2-CE 3.78Å; A187-M371 HydrophobicContact CB-CE 3.74Å; I188-M371 HydrophobicContact CG1-SD 3.59Å; I188-M371 VanDerWaalsContact CG1-SD 3.59Å; L191-M371 HydrophobicContact CD1-CB 3.84Å; V199-M371 HydrophobicContact CB-CB 4.49Å; V199-M371 HydrophobicContact CB-CG 4.11Å; V199-M371 HydrophobicContact CG2-CB 3.91Å; V199-M371 HydrophobicContact CG2-CG 3.57Å; V199-M371 HydrophobicContact CG2-SD 3.84Å; L200-M371 HydrophobicContact CD1-CG 4.01Å; L200-M371 HydrophobicContact CD1-SD 3.73Å; L200-M371 HydrophobicContact CG-CG 4.31Å; L200-M371 HydrophobicContact CG-SD 4.47Å; I367-M371 HydrophobicContact CG2-CE 4.19Å; I367-M371 HydrophobicContact CG2-CG 4.41Å; I367-M371 HydrophobicContact CG2-SD 4.33Å; I367-M371 WeakPolarHBondContact O-CG 3.41Å; I367-M371 PolarHBondContact O-N 3.27Å; Q368-M371 PolarHBondContact O-N 3.3Å; M371-F375 PolarHBondContact O-N 3.31Å
372	I	98.8	Very high	97.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-76.1	-37.5	-178.8	-62	-58.1	0	0	0	112	L161 V164 D166 W167 L191 Q368 Y370 R374 F375 V376	L161-I372 HydrophobicContact CD2-CG2 3.49Å; L161-I372 VanDerWaalsContact CD2-CG2 3.49Å; V164-I372 HydrophobicContact CB-CD1 3.8Å; V164-I372 HydrophobicContact CG2-CD1 3.52Å; D166-I372 WeakPolarHBondContact O-CG1 3.39Å; W167-I372 HydrophobicContact CB-CB 4.23Å; W167-I372 HydrophobicContact CB-CG2 3.52Å; W167-I372 HydrophobicContact CD2-CG2 4.3Å; W167-I372 HydrophobicContact CG-CB 4.04Å; W167-I372 HydrophobicContact CG-CG2 3.6Å; L191-I372 HydrophobicContact CD1-CD1 4.23Å; L191-I372 HydrophobicContact CD2-CD1 4.2Å; Q368-I372 HydrophobicContact CG-CG1 4.17Å; Q368-I372 WeakPolarHBondContact O-CB 3.33Å; Q368-I372 WeakPolarHBondContact O-CG1 3.35Å; Q368-I372 PolarHBondContact O-N 3.4Å; Y370-I372 VanDerWaalsContact C-N 3.32Å; Y370-I372 PolarHBondContact O-N 3.27Å; I372-R374 VanDerWaalsContact C-N 3.26Å; I372-R374 PolarHBondContact O-N 2.78Å; I372-F375 PolarHBondContact O-N 3.01Å; I372-V376 HydrophobicContact CG2-CG2 3.72Å; I372-V376 WeakPolarHBondContact O-CB 3.12Å; I372-V376 VanDerWaalsContact O-CG2 3.27Å; I372-V376 WeakPolarHBondContact O-CG2 3.24Å; I372-V376 PolarHBondContact O-N 2.79Å
373	W	98.9	Very high	98	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-53.2	-48.1	171.6	165	-116.7	0	0	0	111.4	W167 Y245 F248 M249 V252 N369 Y370 F375 V376 M377	W167-W373 AromaticContact CH2-CE3 3.7Å; W167-W373 HydrophobicContact CH2-CE3 3.7Å; W167-W373 HydrophobicContact CH2-CZ3 4.22Å; W167-W373 HydrophobicContact CZ2-CB 3.92Å; W167-W373 HydrophobicContact CZ2-CD2 4.43Å; W167-W373 AromaticContact CZ2-CE3 3.81Å; W167-W373 HydrophobicContact CZ2-CE3 3.81Å; Y245-W373 HydrophobicContact CD2-CZ2 4.06Å; Y245-W373 AromaticContact CE2-CE2 3.74Å; Y245-W373 AromaticContact CE2-CZ2 3.69Å; Y245-W373 HydrophobicContact CE2-CZ2 3.69Å; Y245-W373 AromaticContact CE2-NE1 3.2Å; Y245-W373 AromaticContact CZ-NE1 3.2Å; Y245-W373 PolarHBondContact OH-NE1 3.14Å; F248-W373 HydrophobicContact CB-CH2 4.26Å; F248-W373 AromaticContact CD1-CH2 3.35Å; F248-W373 HydrophobicContact CD1-CH2 3.35Å; F248-W373 AromaticContact CD1-CZ2 3.59Å; F248-W373 HydrophobicContact CD1-CZ2 3.59Å; F248-W373 AromaticContact CD2-CH2 3.91Å; F248-W373 HydrophobicContact CD2-CH2 3.91Å; F248-W373 AromaticContact CE1-CH2 3.43Å; F248-W373 HydrophobicContact CE1-CH2 3.43Å; F248-W373 VanDerWaalsContact CE1-CH2 3.43Å; F248-W373 AromaticContact CE1-CZ2 3.8Å; F248-W373 HydrophobicContact CE1-CZ2 3.8Å; F248-W373 HydrophobicContact CE1-CZ3 4.49Å; F248-W373 AromaticContact CE2-CH2 3.98Å; F248-W373 HydrophobicContact CE2-CH2 3.98Å; F248-W373 AromaticContact CG-CH2 3.57Å; F248-W373 HydrophobicContact CG-CH2 3.57Å; F248-W373 HydrophobicContact CG-CZ2 4.14Å; F248-W373 AromaticContact CZ-CH2 3.72Å; F248-W373 HydrophobicContact CZ-CH2 3.72Å; F248-W373 HydrophobicContact CZ-CZ3 4.43Å; M249-W373 HydrophobicContact CB-CD2 4.31Å; M249-W373 HydrophobicContact CB-CE3 4.32Å; M249-W373 HydrophobicContact CB-CH2 4.26Å; M249-W373 HydrophobicContact CB-CZ2 4.28Å; M249-W373 HydrophobicContact CB-CZ3 4.31Å; M249-W373 HydrophobicContact CE-CG 4.39Å; M249-W373 HydrophobicContact CG-CD2 3.49Å; M249-W373 VanDerWaalsContact CG-CD2 3.49Å; M249-W373 HydrophobicContact CG-CE3 3.96Å; M249-W373 HydrophobicContact CG-CG 3.96Å; M249-W373 HydrophobicContact CG-CH2 3.87Å; M249-W373 HydrophobicContact CG-CZ2 3.41Å; M249-W373 VanDerWaalsContact CG-CZ2 3.41Å; M249-W373 HydrophobicContact CG-CZ3 4.15Å; V252-W373 HydrophobicContact CB-CZ3 4.27Å; V252-W373 HydrophobicContact CG2-CZ3 4.2Å; N369-W373 WeakPolarHBondContact O-CB 3.46Å; N369-W373 PolarHBondContact O-N 3.23Å; Y370-W373 PolarHBondContact O-N 3.28Å; W373-F375 PolarHBondContact O-N 3.09Å; W373-V376 HydrophobicContact CE3-CG1 4.5Å; W373-V376 PolarHBondContact O-N 3.3Å; W373-M377 HydrophobicContact CD2-CB 4.29Å; W373-M377 HydrophobicContact CE3-CB 4.3Å; W373-M377 HydrophobicContact CH2-CB 3.79Å; W373-M377 HydrophobicContact CZ2-CB 3.74Å; W373-M377 HydrophobicContact CZ2-SD 4.15Å; W373-M377 HydrophobicContact CZ3-CB 4.05Å; W373-M377 WeakPolarHBondContact O-CG 3.44Å; W373-M377 PolarHBondContact O-N 3.05Å
374	R	98.8	Very high	98.1	Very high	14 Å²	14	13.4 Å²	13.4	5%	0.053	7%	0.069	C	C	.	.	H	α-helix	trans	-58.3	-32.7	179.8	-66.1	-66.6	-68.7	118.6	-0.9	112.2	K197 V199 G223 L224 E280 Y370 I372 M377	K197-R374 WeakPolarHBondContact CE-O 3.43Å; K197-R374 PolarHBondContact NZ-O 3.48Å; V199-R374 HydrophobicContact CG1-CB 3.71Å; V199-R374 HydrophobicContact CG1-CG 4.2Å; G223-R374 PolarHBondContact O-NH2 2.9Å; L224-R374 VanDerWaalsContact C-CZ 3.4Å; L224-R374 PolarHBondContact O-NH2 3.48Å; E280-R374 WeakPolarHBondContact OE1-CD 3.43Å; E280-R374 IonicContact OE1-NE 3.27Å; E280-R374 PolarHBondContact OE1-NE 2.93Å; Y370-R374 HydrophobicContact CD2-CG 4.04Å; Y370-R374 HydrophobicContact CE1-CG 4.41Å; Y370-R374 HydrophobicContact CE2-CG 3.63Å; Y370-R374 VanDerWaalsContact O-CG 3.27Å; Y370-R374 WeakPolarHBondContact O-CG 3.46Å; Y370-R374 PolarHBondContact O-N 3.38Å; I372-R374 VanDerWaalsContact C-N 3.26Å; I372-R374 PolarHBondContact O-N 2.78Å; R374-M377 PolarHBondContact NH1-SD 3.02Å; R374-M377 WeakPolarHBondContact O-CG 3.26Å
375	F	98.5	Very high	98.1	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.018	9%	0.085	C	C	.	.	H	α-helix	trans	-79.8	-46.6	175.8	-176.2	-143.8	0	0	0	112.3	L160 L191 Y195 K197 M371 I372 W373 M377 D378 L379 I512 L515	L160-F375 HydrophobicContact CD2-CE1 3.69Å; L160-F375 HydrophobicContact CD2-CZ 3.83Å; L160-F375 HydrophobicContact CG-CE1 4.36Å; L191-F375 HydrophobicContact CD2-CB 4.08Å; L191-F375 HydrophobicContact CD2-CD1 3.69Å; L191-F375 HydrophobicContact CD2-CE1 4.3Å; L191-F375 HydrophobicContact CD2-CG 3.97Å; Y195-F375 AromaticContact CD1-CZ 3.82Å; Y195-F375 HydrophobicContact CD1-CZ 3.82Å; Y195-F375 AromaticContact CD2-CE1 4Å; Y195-F375 HydrophobicContact CD2-CE1 4Å; Y195-F375 AromaticContact CD2-CZ 3.9Å; Y195-F375 HydrophobicContact CD2-CZ 3.9Å; Y195-F375 HydrophobicContact CE1-CZ 4.41Å; Y195-F375 HydrophobicContact CE2-CE1 4.33Å; Y195-F375 HydrophobicContact CE2-CZ 4.49Å; Y195-F375 HydrophobicContact CG-CE1 4.1Å; Y195-F375 HydrophobicContact CG-CE2 4.15Å; Y195-F375 AromaticContact CG-CZ 3.52Å; Y195-F375 HydrophobicContact CG-CZ 3.52Å; K197-F375 HydrophobicContact CB-CD2 4.25Å; K197-F375 HydrophobicContact CG-CB 4.17Å; K197-F375 HydrophobicContact CG-CD2 4.29Å; M371-F375 PolarHBondContact O-N 3.31Å; I372-F375 PolarHBondContact O-N 3.01Å; W373-F375 PolarHBondContact O-N 3.09Å; F375-M377 VanDerWaalsContact C-N 3.31Å; F375-M377 PolarHBondContact O-N 3.42Å; F375-D378 PolarHBondContact O-N 3.14Å; F375-L379 HydrophobicContact CD1-CD1 4.24Å; F375-L379 HydrophobicContact CD2-CD1 4.11Å; F375-L379 HydrophobicContact CD2-CG 4.35Å; F375-L379 HydrophobicContact CE1-CD1 3.91Å; F375-L379 HydrophobicContact CE2-CD1 3.75Å; F375-L379 HydrophobicContact CE2-CD2 4.24Å; F375-L379 HydrophobicContact CE2-CG 4.11Å; F375-L379 HydrophobicContact CG-CD1 4.34Å; F375-L379 HydrophobicContact CZ-CD1 3.66Å; F375-L379 HydrophobicContact CZ-CG 4.47Å; F375-I512 HydrophobicContact CZ-CD1 4.44Å; F375-L515 HydrophobicContact CE2-CD1 4.28Å
376	V	98.6	Very high	98.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-57.2	-43.7	-180	166.7	0	0	0	0	111.2	L157 L161 W167 V252 I372 W373 D378 L379 V380	L157-V376 HydrophobicContact CD1-CG2 4.25Å; L157-V376 HydrophobicContact CD2-CG1 4.01Å; L157-V376 HydrophobicContact CD2-CG2 4.41Å; L161-V376 HydrophobicContact CD2-CG2 3.93Å; W167-V376 HydrophobicContact CE3-CG2 4.44Å; W167-V376 HydrophobicContact CZ3-CG1 4.32Å; V252-V376 HydrophobicContact CG1-CG1 3.58Å; I372-V376 HydrophobicContact CG2-CG2 3.72Å; I372-V376 WeakPolarHBondContact O-CB 3.12Å; I372-V376 VanDerWaalsContact O-CG2 3.27Å; I372-V376 WeakPolarHBondContact O-CG2 3.24Å; I372-V376 PolarHBondContact O-N 2.79Å; W373-V376 HydrophobicContact CE3-CG1 4.5Å; W373-V376 PolarHBondContact O-N 3.3Å; V376-D378 PolarHBondContact O-N 3.03Å; V376-D378 VanDerWaalsContact O-N 3.16Å; V376-L379 PolarHBondContact O-N 2.85Å; V376-V380 HydrophobicContact CG1-CG1 4.28Å; V376-V380 WeakPolarHBondContact O-CG1 3.14Å; V376-V380 PolarHBondContact O-N 2.99Å; V376-V380 VanDerWaalsContact O-N 3.16Å
377	M	98.3	Very high	98.2	Very high	10 Å²	10	20.4 Å²	20.4	5%	0.049	10%	0.101	C	C	.	.	H	α-helix	trans	-62.2	-23.8	-178.2	69.4	178.2	-73.3	0	0	114.2	Y245 F248 W373 R374 F375 F394	Y245-M377 HydrophobicContact CE2-CE 3.88Å; Y245-M377 HydrophobicContact CE2-SD 3.91Å; F248-M377 HydrophobicContact CE1-CB 3.84Å; F248-M377 HydrophobicContact CZ-CB 4.09Å; W373-M377 HydrophobicContact CD2-CB 4.29Å; W373-M377 HydrophobicContact CE3-CB 4.3Å; W373-M377 HydrophobicContact CH2-CB 3.79Å; W373-M377 HydrophobicContact CZ2-CB 3.74Å; W373-M377 HydrophobicContact CZ2-SD 4.15Å; W373-M377 HydrophobicContact CZ3-CB 4.05Å; W373-M377 WeakPolarHBondContact O-CG 3.44Å; W373-M377 PolarHBondContact O-N 3.05Å; R374-M377 PolarHBondContact NH1-SD 3.02Å; R374-M377 WeakPolarHBondContact O-CG 3.26Å; F375-M377 VanDerWaalsContact C-N 3.31Å; F375-M377 PolarHBondContact O-N 3.42Å; M377-F394 HydrophobicContact CE-CE1 4.03Å; M377-F394 HydrophobicContact CE-CZ 4.23Å
378	D	97.3	Very high	98.2	Very high	89 Å²	89	20.7 Å²	20.7	48%	0.476	10%	0.102	S	C	.	.	H	α-helix	trans	-81.2	-23.5	175	-64	-14.6	0	0	0	111.6	K197 F375 V376	K197-D378 IonicContact NZ-OD1 3.71Å; K197-D378 IonicContact NZ-OD2 3.59Å; K197-D378 PolarHBondContact NZ-OD2 3.39Å; F375-D378 PolarHBondContact O-N 3.14Å; V376-D378 PolarHBondContact O-N 3.03Å; V376-D378 VanDerWaalsContact O-N 3.16Å
379	L	98.2	Very high	98.2	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	12%	0.116	C	C	.	.	H	α-helix	trans	-93.5	-18.7	-174.6	-64	177.4	0	0	0	113.8	L157 L160 F375 V376 N381 S382 F508 I512	L157-L379 HydrophobicContact CD1-CB 4.46Å; L157-L379 HydrophobicContact CD1-CD1 3.73Å; L160-L379 HydrophobicContact CD2-CD1 3.78Å; F375-L379 HydrophobicContact CD1-CD1 4.24Å; F375-L379 HydrophobicContact CD2-CD1 4.11Å; F375-L379 HydrophobicContact CD2-CG 4.35Å; F375-L379 HydrophobicContact CE1-CD1 3.91Å; F375-L379 HydrophobicContact CE2-CD1 3.75Å; F375-L379 HydrophobicContact CE2-CD2 4.24Å; F375-L379 HydrophobicContact CE2-CG 4.11Å; F375-L379 HydrophobicContact CG-CD1 4.34Å; F375-L379 HydrophobicContact CZ-CD1 3.66Å; F375-L379 HydrophobicContact CZ-CG 4.47Å; V376-L379 PolarHBondContact O-N 2.85Å; L379-N381 PolarHBondContact O-N 3.09Å; L379-N381 VanDerWaalsContact O-N 3.14Å; L379-S382 WeakPolarHBondContact O-CB 3.33Å; L379-S382 PolarHBondContact O-N 2.89Å; L379-F508 HydrophobicContact CB-CE2 4.23Å; L379-F508 HydrophobicContact CD1-CE2 4.4Å; L379-F508 HydrophobicContact CD1-CZ 4.11Å; L379-F508 HydrophobicContact CD2-CE2 4.44Å; L379-I512 HydrophobicContact CD2-CD1 4.15Å
380	V	97.6	Very high	98.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-58	-32.5	-174.7	-59	0	0	0	0	113.3	F248 V252 V376 S382 L383 R391	F248-V380 HydrophobicContact CE2-CG1 4.13Å; F248-V380 HydrophobicContact CE2-CG2 3.98Å; F248-V380 HydrophobicContact CZ-CB 4.48Å; F248-V380 HydrophobicContact CZ-CG1 4.1Å; F248-V380 HydrophobicContact CZ-CG2 3.63Å; V252-V380 HydrophobicContact CG1-CG1 4.23Å; V252-V380 HydrophobicContact CG2-CG1 3.91Å; V376-V380 HydrophobicContact CG1-CG1 4.28Å; V376-V380 WeakPolarHBondContact O-CG1 3.14Å; V376-V380 PolarHBondContact O-N 2.99Å; V376-V380 VanDerWaalsContact O-N 3.16Å; V380-S382 PolarHBondContact O-N 3.3Å; V380-L383 PolarHBondContact O-N 3.1Å; V380-R391 HydrophobicContact CG2-CB 4.39Å
381	N	95.1	Very high	98.1	Very high	54 Å²	54	26.3 Å²	26.3	29%	0.289	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-72.1	-10.6	-178.8	-75.6	-7.1	0	0	0	113.1	L379 K388 R391	L379-N381 PolarHBondContact O-N 3.09Å; L379-N381 VanDerWaalsContact O-N 3.14Å; N381-K388 WeakPolarHBondContact O-CE 3.48Å; N381-R391 WeakPolarHBondContact OD1-CD 3.48Å
382	S	97.4	Very high	98.1	Very high	17 Å²	17	28.9 Å²	28.9	12%	0.119	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-103.1	7.1	-179.7	-54.6	0	0	0	0	113.1	L379 V380 I511	L379-S382 WeakPolarHBondContact O-CB 3.33Å; L379-S382 PolarHBondContact O-N 2.89Å; V380-S382 PolarHBondContact O-N 3.3Å; S382-I511 WeakPolarHBondContact OG-CD1 3.35Å
383	L	98.4	Very high	98.1	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	17%	0.166	C	C	.	.	S	Bend	trans	-108.4	-173	179.1	-62.8	174.2	0	0	0	110.9	I149 L157 V380 Y387 K388 F508	I149-L383 VanDerWaalsContact CG2-C 3.48Å; I149-L383 VanDerWaalsContact CG2-O 3.28Å; I149-L383 WeakPolarHBondContact CG2-O 3.46Å; L157-L383 HydrophobicContact CB-CD1 3.78Å; L157-L383 HydrophobicContact CB-CD2 4.07Å; L157-L383 HydrophobicContact CD2-CD1 3.72Å; L157-L383 HydrophobicContact CG-CD1 4.37Å; V380-L383 PolarHBondContact O-N 3.1Å; L383-Y387 HydrophobicContact CB-CD2 4.38Å; L383-Y387 HydrophobicContact CB-CG 4.09Å; L383-Y387 HydrophobicContact CD1-CD1 3.73Å; L383-Y387 HydrophobicContact CD1-CD2 4.44Å; L383-Y387 HydrophobicContact CD1-CE1 4.18Å; L383-Y387 HydrophobicContact CD1-CG 3.85Å; L383-K388 WeakPolarHBondContact O-CE 3.38Å; L383-K388 PolarHBondContact O-NZ 2.94Å; L383-F508 HydrophobicContact CD2-CD2 3.58Å; L383-F508 HydrophobicContact CD2-CE2 3.67Å; L383-F508 HydrophobicContact CD2-CG 4.47Å; L383-F508 HydrophobicContact CG-CD2 4.4Å; L383-F508 HydrophobicContact CG-CE2 4.31Å
384	S	98.3	Very high	98	Very high	5 Å²	5	31.8 Å²	31.8	4%	0.035	17%	0.167	C	C	.	.			trans	-58.1	161.5	176.3	65.9	0	0	0	0	114.3	D150 R153 N386 Y387 K388	D150-S384 WeakPolarHBondContact OD1-CA 3.43Å; R153-S384 WeakPolarHBondContact CA-OG 3.48Å; S384-N386 PolarHBondContact O-N 3.12Å; S384-N386 VanDerWaalsContact O-N 3.15Å; S384-Y387 PolarHBondContact O-N 3.22Å; S384-K388 PolarHBondContact O-N 3.15Å; S384-K388 VanDerWaalsContact O-N 3.12Å
385	R	97.8	Very high	98	Very high	118 Å²	118	31.8 Å²	31.8	45%	0.445	17%	0.167	S	C	.	.	H	α-helix	trans	-49.1	-41.7	180	-174.1	60	-177.1	-153.3	2	114.2	D150 Y387 K388 D389	D150-R385 PolarHBondContact OD1-N 2.98Å; R385-Y387 VanDerWaalsContact C-N 3.27Å; R385-Y387 PolarHBondContact O-N 2.89Å; R385-K388 PolarHBondContact O-N 3.19Å; R385-D389 WeakPolarHBondContact CG-OD2 3.36Å; R385-D389 IonicContact CZ-OD1 3.76Å; R385-D389 IonicContact CZ-OD2 2.71Å; R385-D389 IonicContact NE-OD1 3.78Å; R385-D389 PolarHBondContact NE-OD1 3.06Å; R385-D389 VanDerWaalsContact NE-OD1 3.14Å; R385-D389 IonicContact NE-OD2 3.34Å; R385-D389 PolarHBondContact NE-OD2 2.84Å; R385-D389 IonicContact NH2-OD1 3.37Å; R385-D389 PolarHBondContact NH2-OD1 3.29Å; R385-D389 WeakPolarHBondContact O-CB 3.47Å; R385-D389 PolarHBondContact O-N 3.29Å
386	N	97.9	Very high	98	Very high	109 Å²	109	36.9 Å²	36.9	58%	0.583	19%	0.189	S	C	*	.	H	α-helix	trans	-58.4	-38.1	178.4	-71.1	-11	0	0	0	112.5	L255 S384 T390	L255-N386 WeakPolarHBondContact CD1-O 3.33Å; S384-N386 PolarHBondContact O-N 3.12Å; S384-N386 VanDerWaalsContact O-N 3.15Å; N386-T390 WeakPolarHBondContact O-CG2 3.49Å
387	Y	98.6	Very high	98	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-75	-43.9	175.8	-79.7	-96.8	0	0	0	111.6	V252 L255 I256 E259 L383 S384 R385 D389 T390	V252-Y387 HydrophobicContact CG1-CD1 4.32Å; V252-Y387 HydrophobicContact CG1-CE1 4.27Å; L255-Y387 HydrophobicContact CB-CE1 3.96Å; L255-Y387 HydrophobicContact CB-CE2 4.28Å; L255-Y387 HydrophobicContact CD1-CD1 4.12Å; L255-Y387 HydrophobicContact CD1-CD2 4.15Å; L255-Y387 HydrophobicContact CD1-CE1 4.32Å; L255-Y387 HydrophobicContact CD1-CE2 4.36Å; L255-Y387 HydrophobicContact CD1-CG 4.05Å; I256-Y387 HydrophobicContact CG1-CE1 3.95Å; E259-Y387 WeakPolarHBondContact OE1-CE2 3.32Å; E259-Y387 PolarHBondContact OE2-OH 2.89Å; L383-Y387 HydrophobicContact CB-CD2 4.38Å; L383-Y387 HydrophobicContact CB-CG 4.09Å; L383-Y387 HydrophobicContact CD1-CD1 3.73Å; L383-Y387 HydrophobicContact CD1-CD2 4.44Å; L383-Y387 HydrophobicContact CD1-CE1 4.18Å; L383-Y387 HydrophobicContact CD1-CG 3.85Å; S384-Y387 PolarHBondContact O-N 3.22Å; R385-Y387 VanDerWaalsContact C-N 3.27Å; R385-Y387 PolarHBondContact O-N 2.89Å; Y387-D389 VanDerWaalsContact C-N 3.25Å; Y387-D389 PolarHBondContact O-N 2.94Å; Y387-T390 WeakPolarHBondContact O-CB 3.25Å; Y387-T390 PolarHBondContact O-N 3.16Å; Y387-T390 PolarHBondContact O-OG1 3.28Å
388	K	98.1	Very high	98	Very high	5 Å²	5	37.4 Å²	37.4	2%	0.022	20%	0.195	C	C	.	.	H	α-helix	trans	-54.9	-43.7	176.1	-63.7	-180	178.3	134.2	0	111.4	E146 N381 L383 S384 R385 T390 R391	E146-K388 IonicContact OE1-NZ 2.75Å; E146-K388 PolarHBondContact OE1-NZ 3.15Å; N381-K388 WeakPolarHBondContact O-CE 3.48Å; L383-K388 WeakPolarHBondContact O-CE 3.38Å; L383-K388 PolarHBondContact O-NZ 2.94Å; S384-K388 PolarHBondContact O-N 3.15Å; S384-K388 VanDerWaalsContact O-N 3.12Å; R385-K388 PolarHBondContact O-N 3.19Å; K388-T390 VanDerWaalsContact C-N 3.26Å; K388-T390 PolarHBondContact O-N 3.49Å; K388-R391 WeakPolarHBondContact O-CB 3.44Å; K388-R391 PolarHBondContact O-N 3.29Å; K388-R391 VanDerWaalsContact O-N 3.13Å
389	D	98.1	Very high	98.1	Very high	57 Å²	57	36.5 Å²	36.5	31%	0.305	19%	0.185	S	C	.	.	H	α-helix	trans	-67.4	-22.5	-176.4	-76.9	-30.5	0	0	0	113.6	R385 Y387 R391 N392	R385-D389 WeakPolarHBondContact CG-OD2 3.36Å; R385-D389 IonicContact CZ-OD1 3.76Å; R385-D389 IonicContact CZ-OD2 2.71Å; R385-D389 IonicContact NE-OD1 3.78Å; R385-D389 PolarHBondContact NE-OD1 3.06Å; R385-D389 VanDerWaalsContact NE-OD1 3.14Å; R385-D389 IonicContact NE-OD2 3.34Å; R385-D389 PolarHBondContact NE-OD2 2.84Å; R385-D389 IonicContact NH2-OD1 3.37Å; R385-D389 PolarHBondContact NH2-OD1 3.29Å; R385-D389 WeakPolarHBondContact O-CB 3.47Å; R385-D389 PolarHBondContact O-N 3.29Å; Y387-D389 VanDerWaalsContact C-N 3.25Å; Y387-D389 PolarHBondContact O-N 2.94Å; D389-R391 PolarHBondContact O-N 3.3Å; D389-N392 WeakPolarHBondContact CA-ND2 3.36Å; D389-N392 WeakPolarHBondContact O-CB 3.26Å; D389-N392 VanDerWaalsContact O-CG 3.29Å; D389-N392 PolarHBondContact O-N 2.86Å; D389-N392 VanDerWaalsContact O-N 3.15Å; D389-N392 PolarHBondContact O-ND2 3.02Å; D389-N392 VanDerWaalsContact O-ND2 3.16Å; D389-N392 PolarHBondContact OD1-ND2 2.84Å
390	T	98.4	Very high	98.1	Very high	24 Å²	24	36.5 Å²	36.5	15%	0.147	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.6	173.7	66.1	0	0	0	0	113.2	F248 V252 L255 N386 Y387 K388	F248-T390 WeakPolarHBondContact CD2-O 3.43Å; F248-T390 WeakPolarHBondContact CE2-OG1 3.4Å; V252-T390 HydrophobicContact CG2-CG2 4.41Å; V252-T390 WeakPolarHBondContact CG2-OG1 3.39Å; L255-T390 HydrophobicContact CD1-CG2 3.46Å; L255-T390 VanDerWaalsContact CD1-CG2 3.46Å; L255-T390 HydrophobicContact CG-CG2 4.41Å; N386-T390 WeakPolarHBondContact O-CG2 3.49Å; Y387-T390 WeakPolarHBondContact O-CB 3.25Å; Y387-T390 PolarHBondContact O-N 3.16Å; Y387-T390 PolarHBondContact O-OG1 3.28Å; K388-T390 VanDerWaalsContact C-N 3.26Å; K388-T390 PolarHBondContact O-N 3.49Å
391	R	98.1	Very high	98.1	Very high	40 Å²	40	36.9 Å²	36.9	15%	0.151	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.7	-179.5	-160.3	176.6	-177.8	-84.5	-0.4	113.2	F248 V380 N381 K388 D389 A393 F394 R395	F248-R391 HydrophobicContact CE1-CG 4.03Å; F248-R391 HydrophobicContact CE2-CB 4.05Å; F248-R391 HydrophobicContact CE2-CG 4.33Å; F248-R391 HydrophobicContact CZ-CB 4.12Å; F248-R391 HydrophobicContact CZ-CG 3.93Å; V380-R391 HydrophobicContact CG2-CB 4.39Å; N381-R391 WeakPolarHBondContact OD1-CD 3.48Å; K388-R391 WeakPolarHBondContact O-CB 3.44Å; K388-R391 PolarHBondContact O-N 3.29Å; K388-R391 VanDerWaalsContact O-N 3.13Å; D389-R391 PolarHBondContact O-N 3.3Å; R391-A393 PolarHBondContact O-N 3.48Å; R391-F394 HydrophobicContact CG-CD1 4.21Å; R391-F394 PolarHBondContact O-N 2.79Å; R391-R395 WeakPolarHBondContact O-CB 3.45Å; R391-R395 PolarHBondContact O-N 3.11Å
392	N	98.2	Very high	98.2	Very high	53 Å²	53	37.5 Å²	37.5	28%	0.283	19%	0.194	S	C	.	.	H	α-helix	trans	-60	-51	-168.9	-76.6	-27.7	0	0	0	113.6	D389 R395 K396	D389-N392 WeakPolarHBondContact CA-ND2 3.36Å; D389-N392 WeakPolarHBondContact O-CB 3.26Å; D389-N392 VanDerWaalsContact O-CG 3.29Å; D389-N392 PolarHBondContact O-N 2.86Å; D389-N392 VanDerWaalsContact O-N 3.15Å; D389-N392 PolarHBondContact O-ND2 3.02Å; D389-N392 VanDerWaalsContact O-ND2 3.16Å; D389-N392 PolarHBondContact OD1-ND2 2.84Å; N392-R395 PolarHBondContact O-N 3.46Å; N392-R395 PolarHBondContact OD1-NH1 3.08Å; N392-R395 PolarHBondContact OD1-NH2 2.83Å; N392-K396 WeakPolarHBondContact O-CB 3.43Å; N392-K396 PolarHBondContact O-N 3Å
393	A	98.4	Very high	98.1	Very high	58 Å²	58	39.4 Å²	39.4	48%	0.479	21%	0.207	S	C	.	.	H	α-helix	trans	-64.4	-43.6	179.5	0	0	0	0	0	111.6	A244 R391 K396 A397	A244-A393 HydrophobicContact CB-CB 4.32Å; R391-A393 PolarHBondContact O-N 3.48Å; A393-K396 PolarHBondContact O-N 2.92Å; A393-A397 WeakPolarHBondContact O-CB 3.42Å; A393-A397 PolarHBondContact O-N 3.44Å
394	F	98.7	Very high	97.8	Very high	3 Å²	3	40.6 Å²	40.6	1%	0.013	21%	0.212	C	C	.	.	H	α-helix	trans	-61.3	-46.7	177.5	-179.8	-115.5	0	0	0	112.2	L226 A244 Y245 F248 M377 R391 K396 A397 L398	L226-F394 HydrophobicContact CD2-CE2 3.71Å; L226-F394 HydrophobicContact CD2-CZ 4.34Å; A244-F394 HydrophobicContact CB-CB 4.37Å; Y245-F394 HydrophobicContact CD2-CD2 4.06Å; Y245-F394 HydrophobicContact CD2-CE1 4.45Å; Y245-F394 AromaticContact CD2-CE2 3.43Å; Y245-F394 HydrophobicContact CD2-CE2 3.43Å; Y245-F394 VanDerWaalsContact CD2-CE2 3.43Å; Y245-F394 AromaticContact CD2-CZ 3.65Å; Y245-F394 HydrophobicContact CD2-CZ 3.65Å; Y245-F394 HydrophobicContact CE2-CE2 4.4Å; Y245-F394 HydrophobicContact CE2-CZ 4.22Å; Y245-F394 HydrophobicContact CG-CD2 4.39Å; Y245-F394 AromaticContact CG-CE2 3.83Å; Y245-F394 HydrophobicContact CG-CE2 3.83Å; Y245-F394 HydrophobicContact CG-CZ 4.44Å; F248-F394 HydrophobicContact CB-CB 4.14Å; F248-F394 HydrophobicContact CD1-CB 4.06Å; F248-F394 AromaticContact CD1-CD1 3.66Å; F248-F394 HydrophobicContact CD1-CD1 3.66Å; F248-F394 HydrophobicContact CD1-CE1 4.25Å; F248-F394 AromaticContact CD1-CG 3.87Å; F248-F394 HydrophobicContact CD1-CG 3.87Å; F248-F394 AromaticContact CE1-CD1 3.95Å; F248-F394 HydrophobicContact CE1-CD1 3.95Å; F248-F394 HydrophobicContact CE1-CE1 4.35Å; F248-F394 HydrophobicContact CG-CB 4.28Å; M377-F394 HydrophobicContact CE-CE1 4.03Å; M377-F394 HydrophobicContact CE-CZ 4.23Å; R391-F394 HydrophobicContact CG-CD1 4.21Å; R391-F394 PolarHBondContact O-N 2.79Å; F394-K396 PolarHBondContact O-N 2.71Å; F394-A397 PolarHBondContact O-N 2.9Å; F394-L398 HydrophobicContact CD1-CD1 4.41Å; F394-L398 HydrophobicContact CD2-CD1 4.31Å; F394-L398 HydrophobicContact CE1-CD1 3.8Å; F394-L398 HydrophobicContact CE2-CD1 3.68Å; F394-L398 HydrophobicContact CE2-CG 4.2Å; F394-L398 HydrophobicContact CZ-CD1 3.4Å; F394-L398 VanDerWaalsContact CZ-CD1 3.4Å; F394-L398 HydrophobicContact CZ-CG 4.39Å; F394-L398 WeakPolarHBondContact O-CG 3.43Å; F394-L398 PolarHBondContact O-N 3.49Å
395	R	98.4	Very high	97.6	Very high	15 Å²	15	42.6 Å²	42.6	6%	0.057	23%	0.225	C	C	.	.	H	α-helix	trans	-59.1	-46.8	174.6	-176.2	-170.1	62.8	-115	-5.4	110.8	R391 N392 A397 L398 Y399 T401 T402 E404	R391-R395 WeakPolarHBondContact O-CB 3.45Å; R391-R395 PolarHBondContact O-N 3.11Å; N392-R395 PolarHBondContact O-N 3.46Å; N392-R395 PolarHBondContact OD1-NH1 3.08Å; N392-R395 PolarHBondContact OD1-NH2 2.83Å; R395-A397 PolarHBondContact O-N 2.69Å; R395-L398 PolarHBondContact O-N 2.97Å; R395-Y399 HydrophobicContact CG-CD2 3.89Å; R395-Y399 WeakPolarHBondContact O-CB 3.33Å; R395-Y399 VanDerWaalsContact O-CD2 3.3Å; R395-Y399 WeakPolarHBondContact O-CD2 3.47Å; R395-Y399 PolarHBondContact O-N 3.37Å; R395-T401 WeakPolarHBondContact CD-OG1 3.33Å; R395-T401 WeakPolarHBondContact CG-OG1 3.47Å; R395-T401 PolarHBondContact NE-OG1 2.97Å; R395-T402 PolarHBondContact NH2-O 3.48Å; R395-E404 IonicContact NH1-OE1 4Å
396	K	98.6	Very high	97.6	Very high	111 Å²	111	39 Å²	39	48%	0.483	22%	0.22	S	C	.	.	H	α-helix	trans	-61.6	-44.2	180	-173.8	-179.8	176.8	-176.4	0	111.6	N392 A393 F394 L398 G400	N392-K396 WeakPolarHBondContact O-CB 3.43Å; N392-K396 PolarHBondContact O-N 3Å; A393-K396 PolarHBondContact O-N 2.92Å; F394-K396 PolarHBondContact O-N 2.71Å; K396-L398 PolarHBondContact O-N 3.1Å; K396-G400 VanDerWaalsContact O-CA 3.23Å; K396-G400 WeakPolarHBondContact O-CA 3.49Å; K396-G400 PolarHBondContact O-N 3.49Å
397	A	98.6	Very high	97.6	Very high	17 Å²	17	35.4 Å²	35.4	14%	0.14	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-28.3	179.7	0	0	0	0	0	113.6	E240 A241 A244 A393 F394 R395	E240-A397 HydrophobicContact CG-CB 4.01Å; A241-A397 HydrophobicContact CB-CB 4.31Å; A244-A397 HydrophobicContact CB-CB 4.15Å; A393-A397 WeakPolarHBondContact O-CB 3.42Å; A393-A397 PolarHBondContact O-N 3.44Å; F394-A397 PolarHBondContact O-N 2.9Å; R395-A397 PolarHBondContact O-N 2.69Å
398	L	98.1	Very high	97.6	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-94.4	-28.7	-179.4	-65.7	-173.3	0	0	0	114.7	L226 P227 Y231 A241 F394 R395 K396 N705	L226-L398 HydrophobicContact CD2-CD2 4.14Å; P227-L398 HydrophobicContact CG-CD1 4.04Å; P227-L398 HydrophobicContact CG-CD2 3.72Å; P227-L398 HydrophobicContact CG-CG 4.39Å; Y231-L398 HydrophobicContact CD1-CD2 4.18Å; Y231-L398 HydrophobicContact CE1-CD2 3.57Å; A241-L398 HydrophobicContact CB-CD2 3.73Å; F394-L398 HydrophobicContact CD1-CD1 4.41Å; F394-L398 HydrophobicContact CD2-CD1 4.31Å; F394-L398 HydrophobicContact CE1-CD1 3.8Å; F394-L398 HydrophobicContact CE2-CD1 3.68Å; F394-L398 HydrophobicContact CE2-CG 4.2Å; F394-L398 HydrophobicContact CZ-CD1 3.4Å; F394-L398 VanDerWaalsContact CZ-CD1 3.4Å; F394-L398 HydrophobicContact CZ-CG 4.39Å; F394-L398 WeakPolarHBondContact O-CG 3.43Å; F394-L398 PolarHBondContact O-N 3.49Å; R395-L398 PolarHBondContact O-N 2.97Å; K396-L398 PolarHBondContact O-N 3.1Å; L398-N705 PolarHBondContact O-ND2 3.4Å; L398-N705 VanDerWaalsContact O-ND2 3.14Å
399	Y	98.1	Very high	97.6	Very high	70 Å²	70	40.7 Å²	40.7	28%	0.275	22%	0.222	S	C	.	.	H	α-helix	trans	-128.7	-10.2	-167.3	-58	-69.1	0	0	0	113.6	S102 R395 T401 Y702	S102-Y399 WeakPolarHBondContact CA-O 3.22Å; S102-Y399 VanDerWaalsContact CB-O 3.22Å; S102-Y399 WeakPolarHBondContact CB-O 3.37Å; R395-Y399 HydrophobicContact CG-CD2 3.89Å; R395-Y399 WeakPolarHBondContact O-CB 3.33Å; R395-Y399 VanDerWaalsContact O-CD2 3.3Å; R395-Y399 WeakPolarHBondContact O-CD2 3.47Å; R395-Y399 PolarHBondContact O-N 3.37Å; Y399-T401 PolarHBondContact O-N 3.25Å; Y399-T401 VanDerWaalsContact O-N 3.09Å; Y399-Y702 AromaticContact CD1-CD2 3.78Å; Y399-Y702 HydrophobicContact CD1-CD2 3.78Å; Y399-Y702 HydrophobicContact CD1-CE2 4.12Å; Y399-Y702 HydrophobicContact CE1-CD2 4.36Å; Y399-Y702 HydrophobicContact CE1-CE2 4.33Å
400	G	98.3	Very high	97.6	Very high	3 Å²	3	41 Å²	41	3%	0.031	22%	0.219	C	C	.	.			trans	70	-2.9	-176.1	0	0	0	0	0	114.7	K396 R699 E701	K396-G400 VanDerWaalsContact O-CA 3.23Å; K396-G400 WeakPolarHBondContact O-CA 3.49Å; K396-G400 PolarHBondContact O-N 3.49Å; G400-R699 VanDerWaalsContact C-CD 3.48Å; G400-R699 WeakPolarHBondContact O-CD 3.4Å; G400-E701 WeakPolarHBondContact CA-OE2 3.25Å
401	T	98	Very high	97.6	Very high	8 Å²	8	39.9 Å²	39.9	5%	0.049	21%	0.212	C	C	.	.			trans	-75.5	131.1	-177.6	57.3	0	0	0	0	111.6	E99 S101 R395 Y399	E99-T401 CarbonylContact O-C 3.13Å; E99-T401 WeakPolarHBondContact O-CA 3.47Å; E99-T401 WeakPolarHBondContact O-CB 3.39Å; S101-T401 VanDerWaalsContact C-CG2 3.44Å; R395-T401 WeakPolarHBondContact CD-OG1 3.33Å; R395-T401 WeakPolarHBondContact CG-OG1 3.47Å; R395-T401 PolarHBondContact NE-OG1 2.97Å; Y399-T401 PolarHBondContact O-N 3.25Å; Y399-T401 VanDerWaalsContact O-N 3.09Å
402	T	96.7	Very high	97.6	Very high	67 Å²	67	38 Å²	38	41%	0.411	21%	0.205	S	C	.	.	S	Bend	trans	-92.9	-19.9	-179.2	61.8	0	0	0	0	112.6	E99 R395	E99-T402 WeakPolarHBondContact CB-OG1 3.18Å; E99-T402 PolarHBondContact O-N 3.41Å; E99-T402 WeakPolarHBondContact OE2-CB 3.32Å; E99-T402 VanDerWaalsContact OE2-CG2 3.32Å; E99-T402 WeakPolarHBondContact OE2-CG2 3.02Å; E99-T402 PolarHBondContact OE2-OG1 3.46Å; R395-T402 PolarHBondContact NH2-O 3.48Å
403	S	95.7	Very high	97.6	Very high	58 Å²	58	38.6 Å²	38.6	41%	0.406	21%	0.208	S	C	.	.	S	Bend	trans	-131.1	160.9	175.9	-177.2	0	0	0	0	111.2	E99	E99-S403 PolarHBondContact O-N 3.03Å
404	E	93.6	Very high	97.6	Very high	27 Å²	27	38.1 Å²	38.1	13%	0.126	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-79	153.1	165.3	-57.9	-167.3	132.4	0	0	111	T100 R395 R410	T100-E404 WeakPolarHBondContact CG2-O 3.05Å; R395-E404 IonicContact NH1-OE1 4Å; E404-R410 IonicContact OE2-CZ 2.77Å; E404-R410 IonicContact OE2-NH1 3.05Å; E404-R410 PolarHBondContact OE2-NH1 3.44Å; E404-R410 IonicContact OE2-NH2 3.02Å
405	T	94.1	Very high	97.6	Very high	47 Å²	47	38 Å²	38	29%	0.288	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-58.9	157.8	168.9	51.6	0	0	0	0	111.1	V407 R410	T405-V407 PolarHBondContact O-N 2.87Å; T405-R410 PolarHBondContact O-NH1 3.43Å; T405-R410 WeakPolarHBondContact OG1-CG 3.25Å
406	A	97.4	Very high	97.6	Very high	42 Å²	42	38 Å²	38	35%	0.347	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-54.1	141.8	-178.7	0	0	0	0	0	111.9	W408 R409 R410	A406-W408 VanDerWaalsContact C-N 3.27Å; A406-W408 HydrophobicContact CB-CG 4.39Å; A406-W408 PolarHBondContact O-N 3.02Å; A406-R409 HydrophobicContact CB-CG 4.2Å; A406-R409 WeakPolarHBondContact O-CB 3.24Å; A406-R409 PolarHBondContact O-N 3.22Å; A406-R410 PolarHBondContact O-N 3.41Å; A406-R410 VanDerWaalsContact O-N 3.16Å
407	V	97.4	Very high	97.6	Very high	34 Å²	34	35.6 Å²	35.6	21%	0.206	20%	0.201	C	C	.	.	H	α-helix	trans	-52.4	-48	-177.2	177.9	0	0	0	0	111.1	E146 T405 R409 R410 C411	E146-V407 VanDerWaalsContact CD-CG2 3.4Å; E146-V407 HydrophobicContact CG-CG1 4.01Å; E146-V407 HydrophobicContact CG-CG2 4.08Å; E146-V407 VanDerWaalsContact OE2-CG2 3.26Å; E146-V407 WeakPolarHBondContact OE2-CG2 3.35Å; T405-V407 PolarHBondContact O-N 2.87Å; V407-R409 VanDerWaalsContact C-N 3.26Å; V407-R409 PolarHBondContact O-N 3.16Å; V407-R410 PolarHBondContact O-N 3.16Å; V407-C411 WeakPolarHBondContact O-CB 3.13Å; V407-C411 PolarHBondContact O-N 2.82Å; V407-C411 PolarHBondContact O-SG 3.39Å
408	W	98.3	Very high	97.6	Very high	67 Å²	67	37.2 Å²	37.2	25%	0.254	21%	0.208	S	C	.	.	H	α-helix	trans	-59.9	-33.8	179.8	71	-104	0	0	0	113	E115 V116 K119 Y140 I144 A406 A412	E115-W408 HydrophobicContact CB-CH2 4.47Å; E115-W408 HydrophobicContact CB-CZ3 4.1Å; E115-W408 WeakPolarHBondContact O-CZ3 3.34Å; V116-W408 HydrophobicContact CG2-CH2 3.93Å; K119-W408 HydrophobicContact CB-CD2 4.48Å; K119-W408 HydrophobicContact CB-CE3 3.58Å; K119-W408 HydrophobicContact CB-CZ3 3.64Å; K119-W408 HydrophobicContact CD-CD2 3.71Å; K119-W408 HydrophobicContact CD-CE3 3.64Å; K119-W408 HydrophobicContact CD-CG 4.22Å; K119-W408 HydrophobicContact CD-CH2 4.31Å; K119-W408 HydrophobicContact CD-CZ2 4.37Å; K119-W408 HydrophobicContact CD-CZ3 3.96Å; K119-W408 HydrophobicContact CG-CD2 4.1Å; K119-W408 HydrophobicContact CG-CE3 3.65Å; K119-W408 HydrophobicContact CG-CZ3 4.13Å; Y140-W408 WeakPolarHBondContact OH-CB 3.38Å; I144-W408 HydrophobicContact CG2-CB 4.47Å; A406-W408 VanDerWaalsContact C-N 3.27Å; A406-W408 HydrophobicContact CB-CG 4.39Å; A406-W408 PolarHBondContact O-N 3.02Å; W408-A412 VanDerWaalsContact O-CB 3.32Å; W408-A412 WeakPolarHBondContact O-CB 3.49Å; W408-A412 PolarHBondContact O-N 3.16Å
409	R	98.2	Very high	97.6	Very high	50 Å²	50	37 Å²	37	19%	0.189	21%	0.207	C	C	.	.	H	α-helix	trans	-67.4	-49.7	176.6	-72.2	-178.6	176.4	-78.3	1.2	110.4	D112 E115 A406 V407 C411 A412 N413	D112-R409 PolarHBondContact O-NH1 3.26Å; D112-R409 IonicContact OD1-NH1 3.24Å; E115-R409 VanDerWaalsContact OE2-CB 3.28Å; E115-R409 WeakPolarHBondContact OE2-CB 3.29Å; E115-R409 WeakPolarHBondContact OE2-CD 3.42Å; E115-R409 WeakPolarHBondContact OE2-CG 3.14Å; E115-R409 IonicContact OE2-CZ 3.18Å; E115-R409 IonicContact OE2-NE 3.65Å; E115-R409 IonicContact OE2-NH1 2.67Å; E115-R409 PolarHBondContact OE2-NH1 3.44Å; A406-R409 HydrophobicContact CB-CG 4.2Å; A406-R409 WeakPolarHBondContact O-CB 3.24Å; A406-R409 PolarHBondContact O-N 3.22Å; V407-R409 VanDerWaalsContact C-N 3.26Å; V407-R409 PolarHBondContact O-N 3.16Å; R409-C411 VanDerWaalsContact C-N 3.27Å; R409-C411 PolarHBondContact O-N 3.22Å; R409-A412 PolarHBondContact O-N 2.85Å; R409-N413 WeakPolarHBondContact O-CB 3.48Å; R409-N413 PolarHBondContact O-N 2.86Å; R409-N413 PolarHBondContact O-ND2 3.14Å
410	R	97.7	Very high	97.6	Very high	62 Å²	62	37 Å²	37	23%	0.234	21%	0.209	C	C	.	.	H	α-helix	trans	-58.3	-41.9	176.2	-60.3	-170.1	-52.3	-116.1	11.1	111.5	E404 T405 A406 V407 Y414	E404-R410 IonicContact OE2-CZ 2.77Å; E404-R410 IonicContact OE2-NH1 3.05Å; E404-R410 PolarHBondContact OE2-NH1 3.44Å; E404-R410 IonicContact OE2-NH2 3.02Å; T405-R410 PolarHBondContact O-NH1 3.43Å; T405-R410 WeakPolarHBondContact OG1-CG 3.25Å; A406-R410 PolarHBondContact O-N 3.41Å; A406-R410 VanDerWaalsContact O-N 3.16Å; V407-R410 PolarHBondContact O-N 3.16Å; R410-Y414 WeakPolarHBondContact O-CB 3.28Å; R410-Y414 PolarHBondContact O-N 3.05Å
411	C	98.6	Very high	97.6	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	22%	0.215	C	C	.	.	H	α-helix	trans	-67.8	-44	178.2	-64.5	0	0	0	0	112.5	Y140 C143 I144 V407 R409 N413 Y414 V415	Y140-C411 HydrophobicContact CD2-CB 3.85Å; Y140-C411 HydrophobicContact CE2-CB 3.79Å; C143-C411 HydrophobicContact CB-CB 3.6Å; C143-C411 WeakPolarHBondContact CB-SG 3.44Å; C143-C411 PolarHBondContact O-SG 2.71Å; C143-C411 WeakPolarHBondContact SG-CA 3.32Å; C143-C411 WeakPolarHBondContact SG-CB 3.46Å; C143-C411 CovalentContact SG-SG 2.03Å; C143-C411 PolarHBondContact SG-SG 2.88Å; I144-C411 HydrophobicContact CG2-CB 3.71Å; V407-C411 WeakPolarHBondContact O-CB 3.13Å; V407-C411 PolarHBondContact O-N 2.82Å; V407-C411 PolarHBondContact O-SG 3.39Å; R409-C411 VanDerWaalsContact C-N 3.27Å; R409-C411 PolarHBondContact O-N 3.22Å; C411-N413 PolarHBondContact O-N 3.02Å; C411-Y414 PolarHBondContact O-N 3.32Å; C411-V415 WeakPolarHBondContact O-CG2 3.42Å; C411-V415 PolarHBondContact O-N 3.44Å
412	A	98.6	Very high	97.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.1	-47.8	176.2	0	0	0	0	0	111.1	L118 L122 Y140 W408 R409 Y414 V415 N416	L118-A412 HydrophobicContact CB-CB 3.93Å; L122-A412 HydrophobicContact CD1-CB 4.3Å; Y140-A412 HydrophobicContact CE2-CB 4.09Å; W408-A412 VanDerWaalsContact O-CB 3.32Å; W408-A412 WeakPolarHBondContact O-CB 3.49Å; W408-A412 PolarHBondContact O-N 3.16Å; R409-A412 PolarHBondContact O-N 2.85Å; A412-Y414 PolarHBondContact O-N 3.32Å; A412-V415 PolarHBondContact O-N 2.83Å; A412-N416 WeakPolarHBondContact O-CB 3.47Å; A412-N416 PolarHBondContact O-N 2.99Å
413	N	98.4	Very high	97.7	Very high	65 Å²	65	34.6 Å²	34.6	35%	0.348	19%	0.193	S	C	.	.	H	α-helix	trans	-63.4	-39.9	175.9	-73.2	-23.8	0	0	0	112.8	E115 R409 C411 N416 G417	E115-N413 WeakPolarHBondContact CG-OD1 3.45Å; E115-N413 PolarHBondContact OE1-ND2 2.79Å; R409-N413 WeakPolarHBondContact O-CB 3.48Å; R409-N413 PolarHBondContact O-N 2.86Å; R409-N413 PolarHBondContact O-ND2 3.14Å; C411-N413 PolarHBondContact O-N 3.02Å; N413-N416 PolarHBondContact O-N 3.47Å; N413-G417 PolarHBondContact O-N 3.37Å
414	Y	98.6	Very high	97.8	Very high	48 Å²	48	31.8 Å²	31.8	19%	0.188	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-45.6	177.9	-179.1	-99.8	0	0	0	111.7	L139 R410 C411 A412 G417 N418 Y507 I511 N514	L139-Y414 HydrophobicContact CD1-CE1 4.17Å; L139-Y414 HydrophobicContact CD2-CD1 4.34Å; L139-Y414 HydrophobicContact CD2-CE1 4.03Å; L139-Y414 HydrophobicContact CG-CE1 4.3Å; R410-Y414 WeakPolarHBondContact O-CB 3.28Å; R410-Y414 PolarHBondContact O-N 3.05Å; C411-Y414 PolarHBondContact O-N 3.32Å; A412-Y414 PolarHBondContact O-N 3.32Å; Y414-G417 PolarHBondContact O-N 2.98Å; Y414-N418 WeakPolarHBondContact CE2-ND2 3.36Å; Y414-N418 PolarHBondContact O-N 3.4Å; Y414-N418 PolarHBondContact O-ND2 2.92Å; Y414-Y507 HydrophobicContact CD1-CE2 4.13Å; Y414-Y507 HydrophobicContact CE1-CE2 4.08Å; Y414-I511 HydrophobicContact CE1-CG1 4.01Å; Y414-I511 HydrophobicContact CE2-CG1 4.29Å; Y414-I511 VanDerWaalsContact OH-CA 3.31Å; Y414-I511 WeakPolarHBondContact OH-CA 3.47Å; Y414-I511 WeakPolarHBondContact OH-CG1 3.4Å; Y414-N514 PolarHBondContact OH-ND2 3.49Å
415	V	98.8	Very high	98	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.6	-43.7	176.1	-177.1	0	0	0	0	110.7	L122 A136 L139 Y140 C411 A412 G417 N418 M419 V423	L122-V415 HydrophobicContact CD1-CB 4.34Å; L122-V415 HydrophobicContact CD2-CG1 4.24Å; A136-V415 HydrophobicContact CB-CG1 3.8Å; A136-V415 WeakPolarHBondContact O-CG1 3.24Å; L139-V415 HydrophobicContact CB-CG2 4.07Å; L139-V415 HydrophobicContact CD2-CB 4.46Å; L139-V415 HydrophobicContact CD2-CG1 4.37Å; L139-V415 HydrophobicContact CD2-CG2 3.94Å; L139-V415 HydrophobicContact CG-CG2 3.83Å; Y140-V415 HydrophobicContact CD2-CG2 4.43Å; C411-V415 WeakPolarHBondContact O-CG2 3.42Å; C411-V415 PolarHBondContact O-N 3.44Å; A412-V415 PolarHBondContact O-N 2.83Å; V415-G417 VanDerWaalsContact C-N 3.34Å; V415-G417 PolarHBondContact O-N 2.87Å; V415-N418 PolarHBondContact O-N 3.3Å; V415-M419 PolarHBondContact O-N 3.4Å; V415-V423 HydrophobicContact CB-CG2 4.48Å; V415-V423 HydrophobicContact CG1-CG2 3.73Å
416	N	98.7	Very high	98.2	Very high	16 Å²	16	30.6 Å²	30.6	9%	0.086	16%	0.163	C	C	.	.	H	α-helix	trans	-56.8	-45.7	176.4	-169.7	31.8	0	0	0	112	L118 A412 N413 N418 E420 V423 A540	L118-N416 HydrophobicContact CD1-CB 3.96Å; A412-N416 WeakPolarHBondContact O-CB 3.47Å; A412-N416 PolarHBondContact O-N 2.99Å; N413-N416 PolarHBondContact O-N 3.47Å; N416-N418 VanDerWaalsContact C-N 3.32Å; N416-N418 PolarHBondContact O-N 3.14Å; N416-E420 WeakPolarHBondContact O-CA 3.27Å; N416-E420 WeakPolarHBondContact O-CB 3.22Å; N416-E420 PolarHBondContact O-N 2.88Å; N416-E420 VanDerWaalsContact O-N 3.1Å; N416-V423 HydrophobicContact CB-CB 4.39Å; N416-V423 HydrophobicContact CB-CG1 3.97Å; N416-V423 WeakPolarHBondContact OD1-CG1 3.41Å; N416-A540 PolarHBondContact ND2-O 3.17Å
417	G	97.9	Very high	98.3	Very high	60 Å²	60	29 Å²	29	62%	0.619	15%	0.148	S	C	*	.	H	α-helix	trans	-71.2	-19.7	-179.9	0	0	0	0	0	115.3	N413 Y414 V415	N413-G417 PolarHBondContact O-N 3.37Å; Y414-G417 PolarHBondContact O-N 2.98Å; V415-G417 VanDerWaalsContact C-N 3.34Å; V415-G417 PolarHBondContact O-N 2.87Å
418	N	98.4	Very high	98.2	Very high	51 Å²	51	27.7 Å²	27.7	27%	0.273	14%	0.14	S	C	.	.	H	α-helix	trans	-103.9	-19.7	179.3	-72.3	-89.5	0	0	0	113.2	Y414 V415 N416 N514	Y414-N418 WeakPolarHBondContact CE2-ND2 3.36Å; Y414-N418 PolarHBondContact O-N 3.4Å; Y414-N418 PolarHBondContact O-ND2 2.92Å; V415-N418 PolarHBondContact O-N 3.3Å; N416-N418 VanDerWaalsContact C-N 3.32Å; N416-N418 PolarHBondContact O-N 3.14Å; N418-N514 WeakPolarHBondContact OD1-CB 3.31Å
419	M	98.4	Very high	98.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-135.4	48.4	-177.7	-59	-169.9	74.7	0	0	110.9	A132 K135 A136 L139 V415 N421 A422 V423 Y497 Y502	A132-M419 WeakPolarHBondContact O-CE 3.22Å; K135-M419 HydrophobicContact CB-CE 3.86Å; K135-M419 HydrophobicContact CB-SD 4.46Å; A136-M419 VanDerWaalsContact CA-SD 3.52Å; A136-M419 HydrophobicContact CB-CE 4.22Å; A136-M419 HydrophobicContact CB-SD 3.84Å; L139-M419 HydrophobicContact CD2-SD 4.42Å; V415-M419 PolarHBondContact O-N 3.4Å; M419-N421 VanDerWaalsContact C-N 3.26Å; M419-N421 PolarHBondContact O-N 3.35Å; M419-N421 VanDerWaalsContact O-N 3.15Å; M419-A422 HydrophobicContact CB-CB 4.22Å; M419-A422 HydrophobicContact CE-CB 4.26Å; M419-A422 PolarHBondContact O-N 3.08Å; M419-V423 PolarHBondContact O-N 2.94Å; M419-Y497 VanDerWaalsContact C-OH 3.29Å; M419-Y497 WeakPolarHBondContact CA-OH 3.25Å; M419-Y497 HydrophobicContact CB-CE1 4.09Å; M419-Y497 HydrophobicContact CE-CD1 3.8Å; M419-Y497 HydrophobicContact CE-CD2 3.76Å; M419-Y497 HydrophobicContact CE-CE1 4.2Å; M419-Y497 HydrophobicContact CE-CE2 4.15Å; M419-Y497 HydrophobicContact CE-CG 3.56Å; M419-Y497 HydrophobicContact CG-CD1 4.3Å; M419-Y497 HydrophobicContact CG-CE1 4.06Å; M419-Y502 HydrophobicContact CE-CE2 4.49Å; M419-Y502 HydrophobicContact SD-CE2 3.72Å
420	E	98	Very high	97.9	Very high	71 Å²	71	32.9 Å²	32.9	33%	0.332	17%	0.17	S	C	.	.	H	α-helix	trans	-55.2	-34.3	-169.6	70.2	-174.6	-180	0	0	114.6	N416 G424	N416-E420 WeakPolarHBondContact O-CA 3.27Å; N416-E420 WeakPolarHBondContact O-CB 3.22Å; N416-E420 PolarHBondContact O-N 2.88Å; N416-E420 VanDerWaalsContact O-N 3.1Å; E420-G424 VanDerWaalsContact O-CA 3.27Å; E420-G424 WeakPolarHBondContact O-CA 3.45Å; E420-G424 PolarHBondContact O-N 2.9Å
421	N	98.3	Very high	97.8	Very high	26 Å²	26	32.3 Å²	32.3	14%	0.139	18%	0.178	C	C	.	.	H	α-helix	trans	-78.5	-37.9	177.8	-69.2	-33.3	0	0	0	111.9	M419 R425 I486 L493 E496 Y497	M419-N421 VanDerWaalsContact C-N 3.26Å; M419-N421 PolarHBondContact O-N 3.35Å; M419-N421 VanDerWaalsContact O-N 3.15Å; N421-R425 WeakPolarHBondContact O-CB 3.26Å; N421-R425 PolarHBondContact O-N 2.87Å; N421-I486 HydrophobicContact CB-CG2 3.87Å; N421-L493 HydrophobicContact CB-CD1 3.59Å; N421-E496 PolarHBondContact ND2-OE2 2.75Å; N421-Y497 PolarHBondContact N-OH 3.05Å
422	A	98.4	Very high	97.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.3	-42.5	177	0	0	0	0	0	111.5	A132 A136 M419 L426 Y497	A132-A422 HydrophobicContact CB-CB 4.39Å; A136-A422 HydrophobicContact CB-CB 4.35Å; M419-A422 HydrophobicContact CB-CB 4.22Å; M419-A422 HydrophobicContact CE-CB 4.26Å; M419-A422 PolarHBondContact O-N 3.08Å; A422-L426 PolarHBondContact O-N 3.44Å; A422-Y497 HydrophobicContact CB-CD2 4.44Å; A422-Y497 HydrophobicContact CB-CE2 3.78Å
423	V	98.5	Very high	97	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-74.2	-39.2	176	-179.8	0	0	0	0	111.1	L118 L122 A136 V415 N416 M419 R425 L426 Y427	L118-V423 HydrophobicContact CD1-CG1 4.3Å; L118-V423 HydrophobicContact CD2-CG1 3.5Å; L118-V423 HydrophobicContact CG-CG1 4.45Å; L122-V423 HydrophobicContact CD2-CG2 4.39Å; A136-V423 HydrophobicContact CB-CG2 4.45Å; V415-V423 HydrophobicContact CB-CG2 4.48Å; V415-V423 HydrophobicContact CG1-CG2 3.73Å; N416-V423 HydrophobicContact CB-CB 4.39Å; N416-V423 HydrophobicContact CB-CG1 3.97Å; N416-V423 WeakPolarHBondContact OD1-CG1 3.41Å; M419-V423 PolarHBondContact O-N 2.94Å; V423-R425 VanDerWaalsContact C-N 3.28Å; V423-R425 PolarHBondContact O-N 2.95Å; V423-L426 PolarHBondContact O-N 3.31Å; V423-L426 VanDerWaalsContact O-N 3.14Å; V423-Y427 PolarHBondContact O-N 2.89Å
424	G	98.3	Very high	95.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-55.7	-42.2	173.3	0	0	0	0	0	112.3	E420 Y427 V428	E420-G424 VanDerWaalsContact O-CA 3.27Å; E420-G424 WeakPolarHBondContact O-CA 3.45Å; E420-G424 PolarHBondContact O-N 2.9Å; G424-Y427 PolarHBondContact O-N 3.12Å; G424-V428 WeakPolarHBondContact O-CG1 3.37Å; G424-V428 WeakPolarHBondContact O-CG2 3.4Å; G424-V428 PolarHBondContact O-N 3.16Å
425	R	97.9	Very high	94.9	Very high	35 Å²	35	39.9 Å²	39.9	13%	0.132	24%	0.235	C	C	.	.	H	α-helix	trans	-54.6	-54.2	172.9	-177.9	-165.9	172.9	91.6	12.5	111.4	N421 V423 Y427 V428 E429 I486 L487 N490 L493	N421-R425 WeakPolarHBondContact O-CB 3.26Å; N421-R425 PolarHBondContact O-N 2.87Å; V423-R425 VanDerWaalsContact C-N 3.28Å; V423-R425 PolarHBondContact O-N 2.95Å; R425-Y427 VanDerWaalsContact C-N 3.31Å; R425-Y427 PolarHBondContact O-N 2.79Å; R425-V428 WeakPolarHBondContact O-CG2 3.47Å; R425-V428 PolarHBondContact O-N 3.42Å; R425-E429 IonicContact CZ-OE1 3.74Å; R425-E429 VanDerWaalsContact CZ-OE1 3.27Å; R425-E429 IonicContact NE-OE1 3.11Å; R425-E429 PolarHBondContact NE-OE1 2.88Å; R425-E429 IonicContact NE-OE2 3.89Å; R425-E429 IonicContact NH2-OE1 3.54Å; R425-E429 PolarHBondContact NH2-OE1 2.94Å; R425-E429 WeakPolarHBondContact O-CG 3.38Å; R425-E429 PolarHBondContact O-N 3.12Å; R425-E429 VanDerWaalsContact O-N 3.15Å; R425-I486 HydrophobicContact CB-CB 4.44Å; R425-I486 HydrophobicContact CB-CD1 4.44Å; R425-I486 HydrophobicContact CB-CG1 4.24Å; R425-I486 WeakPolarHBondContact CD-O 3.34Å; R425-I486 WeakPolarHBondContact CG-O 3.07Å; R425-I486 PolarHBondContact NH1-O 2.96Å; R425-L487 HydrophobicContact CB-CD2 4.5Å; R425-L487 HydrophobicContact CG-CD2 3.72Å; R425-L487 VanDerWaalsContact NH1-C 3.25Å; R425-L487 VanDerWaalsContact NH1-CA 3.3Å; R425-L487 PolarHBondContact NH1-O 3.44Å; R425-N490 PolarHBondContact NH1-OD1 3.03Å; R425-L493 HydrophobicContact CB-CD2 4.46Å
426	L	97.8	Very high	94.4	Very high	14 Å²	14	40.6 Å²	40.6	7%	0.073	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-40.9	-179	-66.5	173.4	0	0	0	112	V121 L122 V133 A422 V423 E430	V121-L426 HydrophobicContact CB-CB 3.95Å; V121-L426 HydrophobicContact CB-CD1 4.38Å; V121-L426 HydrophobicContact CG2-CB 3.68Å; V121-L426 HydrophobicContact CG2-CD1 4.1Å; V121-L426 HydrophobicContact CG2-CG 4.5Å; L122-L426 HydrophobicContact CD2-CD1 4.19Å; V133-L426 HydrophobicContact CG1-CD1 4.18Å; V133-L426 HydrophobicContact CG1-CD2 3.95Å; V133-L426 HydrophobicContact CG1-CG 4.45Å; V133-L426 HydrophobicContact CG2-CD2 4.26Å; V133-L426 HydrophobicContact CG2-CG 4.45Å; A422-L426 PolarHBondContact O-N 3.44Å; V423-L426 PolarHBondContact O-N 3.31Å; V423-L426 VanDerWaalsContact O-N 3.14Å; L426-E430 PolarHBondContact O-N 3.19Å
427	Y	98.1	Very high	94	Very high	7 Å²	7	42 Å²	42	3%	0.027	25%	0.246	C	C	.	.	H	α-helix	trans	-64.4	-46.6	-179.8	176.4	-99.4	0	0	0	112.1	L114 V117 L118 V423 G424 R425 E430 A431 A540 A557	L114-Y427 HydrophobicContact CD1-CD2 4.4Å; L114-Y427 HydrophobicContact CD1-CE1 4.42Å; L114-Y427 HydrophobicContact CD1-CE2 3.71Å; L114-Y427 HydrophobicContact CG-CD2 4.23Å; L114-Y427 HydrophobicContact CG-CE2 3.67Å; V117-Y427 HydrophobicContact CB-CD2 4.3Å; V117-Y427 HydrophobicContact CB-CE2 4.32Å; V117-Y427 HydrophobicContact CG1-CD2 3.84Å; V117-Y427 HydrophobicContact CG1-CE2 4.17Å; L118-Y427 HydrophobicContact CD2-CD2 4.13Å; V423-Y427 PolarHBondContact O-N 2.89Å; G424-Y427 PolarHBondContact O-N 3.12Å; R425-Y427 VanDerWaalsContact C-N 3.31Å; R425-Y427 PolarHBondContact O-N 2.79Å; Y427-E430 PolarHBondContact O-N 3.2Å; Y427-A431 HydrophobicContact CD2-CB 4.29Å; Y427-A431 HydrophobicContact CE2-CB 3.89Å; Y427-A431 WeakPolarHBondContact O-CB 3.23Å; Y427-A431 PolarHBondContact O-N 3.49Å; Y427-A540 HydrophobicContact CD1-CB 3.96Å; Y427-A540 HydrophobicContact CD2-CB 4.21Å; Y427-A540 HydrophobicContact CG-CB 3.68Å; Y427-A557 HydrophobicContact CD1-CB 4.33Å; Y427-A557 HydrophobicContact CE1-CB 3.94Å
428	V	96.8	Very high	93.6	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-72.1	-31.7	-177.2	-59.1	0	0	0	0	112.5	G424 R425 E430 F432 Y482 L487 A539 A557	G424-V428 WeakPolarHBondContact O-CG1 3.37Å; G424-V428 WeakPolarHBondContact O-CG2 3.4Å; G424-V428 PolarHBondContact O-N 3.16Å; R425-V428 WeakPolarHBondContact O-CG2 3.47Å; R425-V428 PolarHBondContact O-N 3.42Å; V428-E430 VanDerWaalsContact C-N 3.27Å; V428-E430 PolarHBondContact O-N 2.76Å; V428-F432 HydrophobicContact CB-CB 4.01Å; V428-F432 HydrophobicContact CG1-CB 4.21Å; V428-F432 PolarHBondContact O-N 3.01Å; V428-Y482 HydrophobicContact CB-CD1 3.93Å; V428-Y482 HydrophobicContact CB-CE1 4.24Å; V428-Y482 HydrophobicContact CB-CG 4.38Å; V428-Y482 HydrophobicContact CG1-CD1 3.63Å; V428-Y482 HydrophobicContact CG1-CE1 4.4Å; V428-Y482 HydrophobicContact CG1-CG 3.97Å; V428-Y482 HydrophobicContact CG2-CD1 4.11Å; V428-Y482 HydrophobicContact CG2-CD2 4.4Å; V428-Y482 HydrophobicContact CG2-CE1 4.35Å; V428-Y482 HydrophobicContact CG2-CG 4.15Å; V428-L487 HydrophobicContact CG2-CD1 4.18Å; V428-L487 HydrophobicContact CG2-CD2 3.68Å; V428-L487 HydrophobicContact CG2-CG 4.18Å; V428-A539 HydrophobicContact CG1-CB 3.84Å; V428-A557 HydrophobicContact CG1-CB 3.8Å
429	E	95.2	Very high	93.3	Very high	107 Å²	107	43.3 Å²	43.3	50%	0.5	24%	0.236	S	C	.	.	H	α-helix	trans	-62.2	-34.4	172.4	-74.8	176.1	161.7	0	0	111.9	R425 L487	R425-E429 IonicContact CZ-OE1 3.74Å; R425-E429 VanDerWaalsContact CZ-OE1 3.27Å; R425-E429 IonicContact NE-OE1 3.11Å; R425-E429 PolarHBondContact NE-OE1 2.88Å; R425-E429 IonicContact NE-OE2 3.89Å; R425-E429 IonicContact NH2-OE1 3.54Å; R425-E429 PolarHBondContact NH2-OE1 2.94Å; R425-E429 WeakPolarHBondContact O-CG 3.38Å; R425-E429 PolarHBondContact O-N 3.12Å; R425-E429 VanDerWaalsContact O-N 3.15Å; E429-L487 HydrophobicContact CG-CD2 3.81Å
430	E	95.3	Very high	93.2	Very high	120 Å²	120	43.3 Å²	43.3	56%	0.561	24%	0.236	S	C	*	.	H	α-helix	trans	-89.8	-41.8	-177.7	-173.6	67.1	-158.5	0	0	113.4	V117 V121 L426 Y427 V428	V117-E430 HydrophobicContact CG1-CB 4.19Å; V117-E430 HydrophobicContact CG1-CG 3.93Å; V121-E430 HydrophobicContact CG1-CB 3.94Å; V121-E430 HydrophobicContact CG1-CG 4.07Å; L426-E430 PolarHBondContact O-N 3.19Å; Y427-E430 PolarHBondContact O-N 3.2Å; V428-E430 VanDerWaalsContact C-N 3.27Å; V428-E430 PolarHBondContact O-N 2.76Å
431	A	94.4	Very high	93.1	Very high	50 Å²	50	44 Å²	44	41%	0.413	24%	0.239	S	C	.	.	H	α-helix	trans	-122.6	-6	-161.2	0	0	0	0	0	115.7	V117 Y427	V117-A431 HydrophobicContact CG1-CB 4.13Å; Y427-A431 HydrophobicContact CD2-CB 4.29Å; Y427-A431 HydrophobicContact CE2-CB 3.89Å; Y427-A431 WeakPolarHBondContact O-CB 3.23Å; Y427-A431 PolarHBondContact O-N 3.49Å
432	F	93.3	Very high	92.9	Very high	25 Å²	25	49 Å²	49	11%	0.11	26%	0.261	C	S	.	.			trans	-116.6	117.8	-174.5	-172.1	-105.6	0	0	0	113.3	V428 Y482 A557 L560	V428-F432 HydrophobicContact CB-CB 4.01Å; V428-F432 HydrophobicContact CG1-CB 4.21Å; V428-F432 PolarHBondContact O-N 3.01Å; F432-Y482 HydrophobicContact CD1-CD1 4.02Å; F432-Y482 AromaticContact CD1-CE1 3.71Å; F432-Y482 HydrophobicContact CD1-CE1 3.71Å; F432-Y482 HydrophobicContact CE1-CD1 4.18Å; F432-Y482 AromaticContact CE1-CE1 3.88Å; F432-Y482 HydrophobicContact CE1-CE1 3.88Å; F432-A557 HydrophobicContact CB-CB 4.12Å; F432-A557 HydrophobicContact CD1-CB 4.38Å; F432-A557 HydrophobicContact CD2-CB 3.59Å; F432-A557 HydrophobicContact CE2-CB 4.07Å; F432-A557 HydrophobicContact CG-CB 3.76Å; F432-L560 HydrophobicContact CE2-CB 3.87Å; F432-L560 HydrophobicContact CE2-CD1 3.77Å; F432-L560 HydrophobicContact CE2-CG 4.43Å; F432-L560 HydrophobicContact CZ-CD1 3.93Å
433	A	86.8	Confident	92.9	Very high	63 Å²	63	49.1 Å²	49.1	52%	0.521	26%	0.262	S	S	.	.			trans	-81	121.2	175.9	0	0	0	0	0	111.3	E435 S436	A433-E435 VanDerWaalsContact C-N 3.3Å; A433-E435 PolarHBondContact O-N 3.44Å; A433-S436 WeakPolarHBondContact O-CB 3.22Å; A433-S436 PolarHBondContact O-N 2.88Å; A433-S436 PolarHBondContact O-OG 3.26Å
434	G	72.8	Confident	92.9	Very high	44 Å²	44	49.1 Å²	49.1	45%	0.454	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.1	-174.1	0	0	0	0	0	115.8	S436 K437	G434-S436 PolarHBondContact O-N 3.18Å; G434-S436 VanDerWaalsContact O-N 3.16Å; G434-K437 WeakPolarHBondContact O-CB 3.44Å; G434-K437 PolarHBondContact O-N 3.23Å; G434-K437 VanDerWaalsContact O-N 3.12Å
435	E	81.3	Confident	92.9	Very high	141 Å²	141	51.7 Å²	51.7	66%	0.659	28%	0.283	S	S	*	.	H	α-helix	trans	-60.8	-24.2	177.3	-66.8	-57.7	135.3	0	0	113.4	A433 K437 H438	A433-E435 VanDerWaalsContact C-N 3.3Å; A433-E435 PolarHBondContact O-N 3.44Å; E435-K437 PolarHBondContact O-N 3.5Å; E435-H438 PolarHBondContact O-N 3.19Å
436	S	88.3	Confident	92.9	Very high	16 Å²	16	52.7 Å²	52.7	11%	0.112	29%	0.291	C	S	.	.	H	α-helix	trans	-60.2	-31.1	176.9	-55.1	0	0	0	0	112.3	A433 G434 H438 V440	A433-S436 WeakPolarHBondContact O-CB 3.22Å; A433-S436 PolarHBondContact O-N 2.88Å; A433-S436 PolarHBondContact O-OG 3.26Å; G434-S436 PolarHBondContact O-N 3.18Å; G434-S436 VanDerWaalsContact O-N 3.16Å; S436-H438 PolarHBondContact O-N 3.5Å; S436-V440 VanDerWaalsContact O-CG2 3.26Å; S436-V440 WeakPolarHBondContact O-CG2 3.37Å; S436-V440 PolarHBondContact O-N 2.67Å; S436-V440 VanDerWaalsContact O-N 3.16Å
437	K	89.4	Confident	92.9	Very high	45 Å²	45	52 Å²	52	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-43.3	-179.5	-170	174	178.5	178	0	111.4	G434 E435 Q441 I480 D484	G434-K437 WeakPolarHBondContact O-CB 3.44Å; G434-K437 PolarHBondContact O-N 3.23Å; G434-K437 VanDerWaalsContact O-N 3.12Å; E435-K437 PolarHBondContact O-N 3.5Å; K437-Q441 WeakPolarHBondContact O-CB 3.43Å; K437-Q441 PolarHBondContact O-N 2.73Å; K437-Q441 VanDerWaalsContact O-N 3.08Å; K437-I480 HydrophobicContact CG-CB 4.25Å; K437-I480 HydrophobicContact CG-CG2 4.09Å; K437-D484 VanDerWaalsContact NZ-CG 3.27Å; K437-D484 IonicContact NZ-OD1 2.71Å; K437-D484 PolarHBondContact NZ-OD1 2.04Å; K437-D484 IonicContact NZ-OD2 2.69Å; K437-D484 PolarHBondContact NZ-OD2 3.34Å
438	H	90.1	Very high	92.9	Very high	109 Å²	109	53.7 Å²	53.7	51%	0.505	29%	0.294	S	S	.	.	H	α-helix	trans	-68.8	-43.9	-178.9	-69.9	-56.4	0	0	0	112.6	E435 S436 V440 Q441 E442	E435-H438 PolarHBondContact O-N 3.19Å; S436-H438 PolarHBondContact O-N 3.5Å; H438-V440 VanDerWaalsContact C-N 3.34Å; H438-V440 PolarHBondContact O-N 2.67Å; H438-Q441 WeakPolarHBondContact O-CB 3.39Å; H438-Q441 PolarHBondContact O-N 3.16Å; H438-E442 PolarHBondContact O-N 3.44Å; H438-E442 VanDerWaalsContact O-N 3.08Å
439	V	92.6	Very high	93	Very high	30 Å²	30	57.9 Å²	57.9	18%	0.182	31%	0.313	C	S	.	.	H	α-helix	trans	-64.7	-40.5	-179.8	-177.4	0	0	0	0	111.4	Q441 E442 M443 F565	V439-Q441 VanDerWaalsContact C-N 3.33Å; V439-E442 PolarHBondContact O-N 2.82Å; V439-M443 WeakPolarHBondContact O-CG 3.18Å; V439-M443 PolarHBondContact O-N 3.24Å; V439-M443 VanDerWaalsContact O-N 3.16Å; V439-F565 HydrophobicContact CB-CE2 4.19Å; V439-F565 HydrophobicContact CB-CZ 3.87Å; V439-F565 HydrophobicContact CG1-CE2 3.72Å; V439-F565 HydrophobicContact CG1-CZ 3.86Å
440	V	95.1	Very high	93.2	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67.8	-36.3	177.2	174.1	0	0	0	0	110.9	S436 H438 E442 M443 I444 I480 L560 F565 I582	S436-V440 VanDerWaalsContact O-CG2 3.26Å; S436-V440 WeakPolarHBondContact O-CG2 3.37Å; S436-V440 PolarHBondContact O-N 2.67Å; S436-V440 VanDerWaalsContact O-N 3.16Å; H438-V440 VanDerWaalsContact C-N 3.34Å; H438-V440 PolarHBondContact O-N 2.67Å; V440-E442 PolarHBondContact O-N 3.15Å; V440-M443 PolarHBondContact O-N 2.94Å; V440-I444 HydrophobicContact CG1-CD1 3.99Å; V440-I444 HydrophobicContact CG1-CG1 4.45Å; V440-I444 WeakPolarHBondContact O-CG1 3.5Å; V440-I444 PolarHBondContact O-N 2.69Å; V440-I480 HydrophobicContact CB-CG2 3.98Å; V440-I480 HydrophobicContact CG1-CG2 3.76Å; V440-L560 HydrophobicContact CG1-CD2 4.11Å; V440-L560 HydrophobicContact CG2-CD1 4.26Å; V440-L560 HydrophobicContact CG2-CD2 3.83Å; V440-F565 HydrophobicContact CG2-CD1 4.28Å; V440-F565 HydrophobicContact CG2-CD2 4.07Å; V440-F565 HydrophobicContact CG2-CE1 4.2Å; V440-F565 HydrophobicContact CG2-CE2 3.95Å; V440-F565 HydrophobicContact CG2-CG 4.23Å; V440-F565 HydrophobicContact CG2-CZ 4.02Å; V440-I582 HydrophobicContact CG1-CD1 4.39Å
441	Q	95.7	Very high	93.3	Very high	84 Å²	84	47.5 Å²	47.5	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-60.8	-42.8	175	-169	176.5	3.2	0	0	112.2	K437 H438 V439 I444 A445 I480	K437-Q441 WeakPolarHBondContact O-CB 3.43Å; K437-Q441 PolarHBondContact O-N 2.73Å; K437-Q441 VanDerWaalsContact O-N 3.08Å; H438-Q441 WeakPolarHBondContact O-CB 3.39Å; H438-Q441 PolarHBondContact O-N 3.16Å; V439-Q441 VanDerWaalsContact C-N 3.33Å; Q441-I444 PolarHBondContact O-N 3.48Å; Q441-A445 PolarHBondContact O-N 3.21Å; Q441-A445 VanDerWaalsContact O-N 3.07Å; Q441-I480 HydrophobicContact CB-CD1 3.65Å; Q441-I480 HydrophobicContact CG-CD1 3.99Å
442	E	95.6	Very high	93.5	Very high	131 Å²	131	46.8 Å²	46.8	61%	0.612	25%	0.254	S	S	*	.	H	α-helix	trans	-61.3	-43.7	173.7	-69.3	-179.3	174.7	0	0	111.8	H438 V439 V440 I444 A445 D446	H438-E442 PolarHBondContact O-N 3.44Å; H438-E442 VanDerWaalsContact O-N 3.08Å; V439-E442 PolarHBondContact O-N 2.82Å; V440-E442 PolarHBondContact O-N 3.15Å; E442-I444 VanDerWaalsContact C-N 3.33Å; E442-I444 PolarHBondContact O-N 2.66Å; E442-A445 WeakPolarHBondContact O-CB 3.4Å; E442-A445 PolarHBondContact O-N 3.06Å; E442-D446 PolarHBondContact O-N 3.02Å
443	M	97.8	Very high	93.8	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.02	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-37	177.6	-68.9	-177.3	68	0	0	112.6	V439 V440 D446 I447 F565 N574 Y575 I578 I582	V439-M443 WeakPolarHBondContact O-CG 3.18Å; V439-M443 PolarHBondContact O-N 3.24Å; V439-M443 VanDerWaalsContact O-N 3.16Å; V440-M443 PolarHBondContact O-N 2.94Å; M443-D446 PolarHBondContact O-N 3.35Å; M443-I447 WeakPolarHBondContact O-CB 3.27Å; M443-I447 WeakPolarHBondContact O-CD1 3.29Å; M443-I447 VanDerWaalsContact O-CG1 3.25Å; M443-I447 WeakPolarHBondContact O-CG1 3.41Å; M443-I447 PolarHBondContact O-N 2.97Å; M443-F565 HydrophobicContact SD-CD2 4.5Å; M443-F565 HydrophobicContact SD-CE2 4.44Å; M443-N574 HydrophobicContact CE-CB 4.01Å; M443-N574 HydrophobicContact SD-CB 4.22Å; M443-Y575 HydrophobicContact CE-CD1 3.83Å; M443-Y575 HydrophobicContact CE-CD2 4.37Å; M443-Y575 HydrophobicContact CE-CE1 4.05Å; M443-Y575 HydrophobicContact CE-CG 4Å; M443-I578 HydrophobicContact CE-CG2 3.75Å; M443-I578 HydrophobicContact SD-CG2 4.02Å; M443-I582 HydrophobicContact CB-CD1 4.03Å
444	I	98.3	Very high	94.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.9	-44.2	174.2	-69	164.7	0	0	0	110.6	V440 Q441 E442 I447 R448 E478 I480 I553 F555 I582	V440-I444 HydrophobicContact CG1-CD1 3.99Å; V440-I444 HydrophobicContact CG1-CG1 4.45Å; V440-I444 WeakPolarHBondContact O-CG1 3.5Å; V440-I444 PolarHBondContact O-N 2.69Å; Q441-I444 PolarHBondContact O-N 3.48Å; E442-I444 VanDerWaalsContact C-N 3.33Å; E442-I444 PolarHBondContact O-N 2.66Å; I444-I447 PolarHBondContact O-N 2.92Å; I444-R448 VanDerWaalsContact O-CB 3.3Å; I444-R448 WeakPolarHBondContact O-CB 3.37Å; I444-R448 PolarHBondContact O-N 2.91Å; I444-E478 HydrophobicContact CD1-CB 4.38Å; I444-E478 HydrophobicContact CG2-CB 4.32Å; I444-I480 HydrophobicContact CD1-CD1 3.58Å; I444-I480 HydrophobicContact CD1-CG1 3.72Å; I444-I553 HydrophobicContact CG2-CD1 4.13Å; I444-F555 HydrophobicContact CD1-CD2 3.78Å; I444-F555 HydrophobicContact CD1-CE2 3.69Å; I444-F555 HydrophobicContact CG1-CE2 4.11Å; I444-I582 HydrophobicContact CB-CG2 4.37Å; I444-I582 HydrophobicContact CG1-CD1 3.76Å; I444-I582 HydrophobicContact CG1-CG1 3.91Å; I444-I582 HydrophobicContact CG1-CG2 3.83Å
445	A	98.1	Very high	95.5	Very high	53 Å²	53	45.9 Å²	45.9	44%	0.438	23%	0.226	S	C	.	.	H	α-helix	trans	-61.4	-46.6	176.5	0	0	0	0	0	111.6	Q441 E442 I447 R448 E449	Q441-A445 PolarHBondContact O-N 3.21Å; Q441-A445 VanDerWaalsContact O-N 3.07Å; E442-A445 WeakPolarHBondContact O-CB 3.4Å; E442-A445 PolarHBondContact O-N 3.06Å; A445-I447 PolarHBondContact O-N 3.15Å; A445-R448 PolarHBondContact O-N 3.03Å; A445-E449 WeakPolarHBondContact O-CB 3.06Å; A445-E449 PolarHBondContact O-N 3.23Å
446	D	97.5	Very high	96.2	Very high	56 Å²	56	45.5 Å²	45.5	30%	0.299	23%	0.229	S	C	.	.	H	α-helix	trans	-57.8	-46.6	177.6	-74.3	-15.4	0	0	0	111.8	E442 M443 E449 V450 Y575	E442-D446 PolarHBondContact O-N 3.02Å; M443-D446 PolarHBondContact O-N 3.35Å; D446-E449 PolarHBondContact O-N 3.2Å; D446-V450 WeakPolarHBondContact O-CG2 3.32Å; D446-V450 PolarHBondContact O-N 3.41Å; D446-Y575 PolarHBondContact OD2-OH 3.2Å
447	I	98.8	Very high	96.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-73.3	-37.9	-176	-66.6	163.5	0	0	0	110.9	M443 I444 A445 E449 V450 F451 G579 I582 I586 Q657 A661	M443-I447 WeakPolarHBondContact O-CB 3.27Å; M443-I447 WeakPolarHBondContact O-CD1 3.29Å; M443-I447 VanDerWaalsContact O-CG1 3.25Å; M443-I447 WeakPolarHBondContact O-CG1 3.41Å; M443-I447 PolarHBondContact O-N 2.97Å; I444-I447 PolarHBondContact O-N 2.92Å; A445-I447 PolarHBondContact O-N 3.15Å; I447-E449 VanDerWaalsContact C-N 3.32Å; I447-E449 PolarHBondContact O-N 3.42Å; I447-V450 PolarHBondContact O-N 3.29Å; I447-F451 PolarHBondContact O-N 2.79Å; I447-G579 VanDerWaalsContact CD1-O 3.3Å; I447-G579 WeakPolarHBondContact CD1-O 3.43Å; I447-I582 HydrophobicContact CB-CG2 4.02Å; I447-I582 HydrophobicContact CD1-CB 3.77Å; I447-I582 HydrophobicContact CD1-CD1 4.18Å; I447-I582 HydrophobicContact CD1-CG2 3.68Å; I447-I582 HydrophobicContact CG1-CG2 4.46Å; I447-I582 HydrophobicContact CG2-CG2 4.05Å; I447-I586 HydrophobicContact CG2-CD1 3.98Å; I447-Q657 HydrophobicContact CG2-CB 4.1Å; I447-A661 HydrophobicContact CG1-CB 3.86Å
448	R	98.7	Very high	96.9	Very high	43 Å²	43	47.4 Å²	47.4	16%	0.162	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-43.9	171.9	-177.4	-177.8	-62.9	155.4	12.1	111.1	I444 A445 V450 F451 I452 A473 I476 E478 I586	I444-R448 VanDerWaalsContact O-CB 3.3Å; I444-R448 WeakPolarHBondContact O-CB 3.37Å; I444-R448 PolarHBondContact O-N 2.91Å; A445-R448 PolarHBondContact O-N 3.03Å; R448-V450 VanDerWaalsContact C-N 3.32Å; R448-V450 PolarHBondContact O-N 2.98Å; R448-F451 WeakPolarHBondContact O-CB 3.2Å; R448-F451 PolarHBondContact O-N 3.27Å; R448-I452 HydrophobicContact CG-CD1 4.09Å; R448-I452 WeakPolarHBondContact O-CG1 3.49Å; R448-I452 PolarHBondContact O-N 3.16Å; R448-A473 WeakPolarHBondContact CD-O 3.31Å; R448-A473 PolarHBondContact NE-O 3.15Å; R448-I476 PolarHBondContact NH2-O 3.17Å; R448-E478 IonicContact CZ-OE2 3.22Å; R448-E478 IonicContact NH1-OE2 3.02Å; R448-E478 PolarHBondContact NH1-OE2 3.49Å; R448-E478 IonicContact NH2-OE2 3.58Å; R448-E478 PolarHBondContact NH2-OE2 3.42Å; R448-I586 HydrophobicContact CB-CD1 4.34Å
449	E	98.4	Very high	97.3	Very high	95 Å²	95	48.9 Å²	48.9	44%	0.444	25%	0.254	S	S	.	.	H	α-helix	trans	-61.8	-41.8	176.5	-171.5	-174.7	161.6	0	0	111.3	A445 D446 I447 I452 K453	A445-E449 WeakPolarHBondContact O-CB 3.06Å; A445-E449 PolarHBondContact O-N 3.23Å; D446-E449 PolarHBondContact O-N 3.2Å; I447-E449 VanDerWaalsContact C-N 3.32Å; I447-E449 PolarHBondContact O-N 3.42Å; E449-I452 PolarHBondContact O-N 3.47Å; E449-K453 HydrophobicContact CG-CD 4.21Å; E449-K453 WeakPolarHBondContact O-CB 3.25Å; E449-K453 WeakPolarHBondContact O-CG 3.46Å; E449-K453 PolarHBondContact O-N 3.4Å; E449-K453 VanDerWaalsContact OE1-CE 3.23Å; E449-K453 WeakPolarHBondContact OE1-CE 3.37Å; E449-K453 IonicContact OE1-NZ 3.02Å; E449-K453 PolarHBondContact OE1-NZ 3.27Å
450	V	98.7	Very high	97.6	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.03	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-41.3	175	166.3	0	0	0	0	112.3	D446 I447 R448 K453 T454 Q657 K660 A661	D446-V450 WeakPolarHBondContact O-CG2 3.32Å; D446-V450 PolarHBondContact O-N 3.41Å; I447-V450 PolarHBondContact O-N 3.29Å; R448-V450 VanDerWaalsContact C-N 3.32Å; R448-V450 PolarHBondContact O-N 2.98Å; V450-K453 PolarHBondContact O-N 2.97Å; V450-T454 WeakPolarHBondContact O-CB 2.98Å; V450-T454 PolarHBondContact O-N 3.47Å; V450-T454 PolarHBondContact O-OG1 3.28Å; V450-Q657 HydrophobicContact CG1-CB 4.2Å; V450-K660 HydrophobicContact CG1-CB 3.62Å; V450-K660 HydrophobicContact CG1-CD 4.01Å; V450-K660 HydrophobicContact CG1-CG 4.49Å; V450-K660 HydrophobicContact CG2-CB 4.44Å; V450-A661 HydrophobicContact CG2-CB 3.98Å
451	F	98.8	Very high	97.7	Very high	3 Å²	3	49 Å²	49	1%	0.013	25%	0.251	C	S	.	.	H	α-helix	trans	-58.2	-52.5	175.3	179.4	-90	0	0	0	110.4	I447 R448 K453 T454 L455 A473 I586 F590 W750	I447-F451 PolarHBondContact O-N 2.79Å; R448-F451 WeakPolarHBondContact O-CB 3.2Å; R448-F451 PolarHBondContact O-N 3.27Å; F451-K453 PolarHBondContact O-N 3.02Å; F451-T454 WeakPolarHBondContact O-CB 3.46Å; F451-T454 PolarHBondContact O-N 3.2Å; F451-T454 VanDerWaalsContact O-N 3.08Å; F451-L455 HydrophobicContact CE1-CD1 4.45Å; F451-L455 HydrophobicContact CE1-CD2 4.1Å; F451-L455 HydrophobicContact CE1-CG 4.46Å; F451-L455 HydrophobicContact CZ-CD2 4.28Å; F451-L455 PolarHBondContact O-N 3.47Å; F451-A473 HydrophobicContact CD1-CB 3.72Å; F451-A473 HydrophobicContact CE1-CB 3.85Å; F451-I586 HydrophobicContact CB-CG2 4.32Å; F451-I586 HydrophobicContact CD2-CG2 4.07Å; F451-I586 HydrophobicContact CG-CG2 4.04Å; F451-F590 HydrophobicContact CD1-CE2 4.32Å; F451-F590 HydrophobicContact CE1-CD1 4.49Å; F451-F590 AromaticContact CE1-CD2 3.86Å; F451-F590 HydrophobicContact CE1-CD2 3.86Å; F451-F590 HydrophobicContact CE1-CE1 4.16Å; F451-F590 AromaticContact CE1-CE2 3.46Å; F451-F590 HydrophobicContact CE1-CE2 3.46Å; F451-F590 VanDerWaalsContact CE1-CE2 3.46Å; F451-F590 HydrophobicContact CE1-CG 4.36Å; F451-F590 AromaticContact CE1-CZ 3.63Å; F451-F590 HydrophobicContact CE1-CZ 3.63Å; F451-F590 AromaticContact CE2-CD2 3.84Å; F451-F590 HydrophobicContact CE2-CD2 3.84Å; F451-F590 HydrophobicContact CE2-CE2 4.21Å; F451-F590 HydrophobicContact CE2-CG 4.35Å; F451-F590 HydrophobicContact CZ-CB 4.32Å; F451-F590 HydrophobicContact CZ-CD1 4.04Å; F451-F590 AromaticContact CZ-CD2 3.26Å; F451-F590 HydrophobicContact CZ-CD2 3.26Å; F451-F590 HydrophobicContact CZ-CE1 4.16Å; F451-F590 AromaticContact CZ-CE2 3.4Å; F451-F590 HydrophobicContact CZ-CE2 3.4Å; F451-F590 VanDerWaalsContact CZ-CE2 3.4Å; F451-F590 AromaticContact CZ-CG 3.61Å; F451-F590 HydrophobicContact CZ-CG 3.61Å; F451-F590 AromaticContact CZ-CZ 3.86Å; F451-F590 HydrophobicContact CZ-CZ 3.86Å; F451-W750 HydrophobicContact CE2-CD2 4.26Å; F451-W750 HydrophobicContact CE2-CE3 4.06Å; F451-W750 HydrophobicContact CE2-CG 4.43Å; F451-W750 HydrophobicContact CZ-CD2 4.46Å; F451-W750 AromaticContact CZ-CE3 3.99Å; F451-W750 HydrophobicContact CZ-CE3 3.99Å; F451-W750 HydrophobicContact CZ-CZ3 4.25Å
452	I	98.6	Very high	97.9	Very high	35 Å²	35	46.8 Å²	46.8	18%	0.179	24%	0.242	C	C	.	.	H	α-helix	trans	-58.9	-47.5	-179.7	-68	168	0	0	0	111	R448 E449 T454 L455 E470 A473	R448-I452 HydrophobicContact CG-CD1 4.09Å; R448-I452 WeakPolarHBondContact O-CG1 3.49Å; R448-I452 PolarHBondContact O-N 3.16Å; E449-I452 PolarHBondContact O-N 3.47Å; I452-T454 VanDerWaalsContact C-N 3.26Å; I452-T454 PolarHBondContact O-N 2.63Å; I452-L455 VanDerWaalsContact O-CB 3.26Å; I452-L455 WeakPolarHBondContact O-CB 3.47Å; I452-L455 WeakPolarHBondContact O-CG 3.3Å; I452-L455 PolarHBondContact O-N 2.83Å; I452-L455 VanDerWaalsContact O-N 3.15Å; I452-E470 HydrophobicContact CG1-CG 4.49Å; I452-E470 HydrophobicContact CG2-CG 3.84Å; I452-A473 HydrophobicContact CD1-CB 4.38Å; I452-A473 HydrophobicContact CG1-CB 3.97Å
453	K	97.9	Very high	98	Very high	106 Å²	106	46.4 Å²	46.4	46%	0.461	25%	0.249	S	C	.	.	H	α-helix	trans	-62.2	-33.1	176.9	-76.7	175.3	170.8	172	0	113.1	E449 V450 F451 L455 D456	E449-K453 HydrophobicContact CG-CD 4.21Å; E449-K453 WeakPolarHBondContact O-CB 3.25Å; E449-K453 WeakPolarHBondContact O-CG 3.46Å; E449-K453 PolarHBondContact O-N 3.4Å; E449-K453 VanDerWaalsContact OE1-CE 3.23Å; E449-K453 WeakPolarHBondContact OE1-CE 3.37Å; E449-K453 IonicContact OE1-NZ 3.02Å; E449-K453 PolarHBondContact OE1-NZ 3.27Å; V450-K453 PolarHBondContact O-N 2.97Å; F451-K453 PolarHBondContact O-N 3.02Å; K453-L455 PolarHBondContact O-N 3.35Å; K453-D456 PolarHBondContact O-N 2.93Å
454	T	97.4	Very high	98	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-68.6	-25.6	179.5	-61.4	0	0	0	0	111.6	V450 F451 I452 D456 E457 L458 K660 W750	V450-T454 WeakPolarHBondContact O-CB 2.98Å; V450-T454 PolarHBondContact O-N 3.47Å; V450-T454 PolarHBondContact O-OG1 3.28Å; F451-T454 WeakPolarHBondContact O-CB 3.46Å; F451-T454 PolarHBondContact O-N 3.2Å; F451-T454 VanDerWaalsContact O-N 3.08Å; I452-T454 VanDerWaalsContact C-N 3.26Å; I452-T454 PolarHBondContact O-N 2.63Å; T454-D456 PolarHBondContact O-N 3.17Å; T454-E457 WeakPolarHBondContact O-CB 3.37Å; T454-E457 PolarHBondContact O-N 3.26Å; T454-L458 HydrophobicContact CG2-CD2 4.34Å; T454-L458 WeakPolarHBondContact O-CG 3.31Å; T454-L458 PolarHBondContact O-N 3.31Å; T454-K660 PolarHBondContact OG1-NZ 3.13Å; T454-K660 VanDerWaalsContact OG1-NZ 3.09Å; T454-W750 VanDerWaalsContact CG2-OXT 3.25Å; T454-W750 WeakPolarHBondContact CG2-OXT 3.42Å
455	L	97.9	Very high	98	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-55.2	-37.5	175.4	-60.5	175.3	0	0	0	112.1	F451 I452 K453 E457 L458 K466 A469 E470 W750	F451-L455 HydrophobicContact CE1-CD1 4.45Å; F451-L455 HydrophobicContact CE1-CD2 4.1Å; F451-L455 HydrophobicContact CE1-CG 4.46Å; F451-L455 HydrophobicContact CZ-CD2 4.28Å; F451-L455 PolarHBondContact O-N 3.47Å; I452-L455 VanDerWaalsContact O-CB 3.26Å; I452-L455 WeakPolarHBondContact O-CB 3.47Å; I452-L455 WeakPolarHBondContact O-CG 3.3Å; I452-L455 PolarHBondContact O-N 2.83Å; I452-L455 VanDerWaalsContact O-N 3.15Å; K453-L455 PolarHBondContact O-N 3.35Å; L455-E457 VanDerWaalsContact C-N 3.26Å; L455-E457 PolarHBondContact O-N 3.29Å; L455-L458 HydrophobicContact CD2-CD1 4.11Å; L455-L458 PolarHBondContact O-N 3.48Å; L455-K466 HydrophobicContact CB-CG 4.46Å; L455-K466 VanDerWaalsContact O-CD 3.25Å; L455-K466 WeakPolarHBondContact O-CD 3.23Å; L455-K466 WeakPolarHBondContact O-CE 3.41Å; L455-K466 PolarHBondContact O-NZ 3.21Å; L455-A469 HydrophobicContact CD1-CB 3.99Å; L455-A469 HydrophobicContact CD2-CB 4.08Å; L455-E470 HydrophobicContact CD1-CB 4.01Å; L455-W750 HydrophobicContact CD2-CE3 4.34Å; L455-W750 HydrophobicContact CD2-CZ3 3.89Å
456	D	96.7	Very high	98	Very high	133 Å²	133	50.4 Å²	50.4	71%	0.711	26%	0.258	S	S	*	.	H	α-helix	trans	-63	-33.4	178.1	-71.5	-26.3	0	0	0	112.3	K453 T454 K466	K453-D456 PolarHBondContact O-N 2.93Å; T454-D456 PolarHBondContact O-N 3.17Å; D456-K466 PolarHBondContact O-NZ 3.03Å; D456-K466 VanDerWaalsContact O-NZ 3.16Å
457	E	96	Very high	98.1	Very high	97 Å²	97	53.9 Å²	53.9	45%	0.453	27%	0.27	S	S	.	.	H	α-helix	trans	-76.3	-19.5	179.1	-56.5	173.6	-165.2	0	0	113.6	T454 L455 T459 K660 R748	T454-E457 WeakPolarHBondContact O-CB 3.37Å; T454-E457 PolarHBondContact O-N 3.26Å; L455-E457 VanDerWaalsContact C-N 3.26Å; L455-E457 PolarHBondContact O-N 3.29Å; E457-T459 PolarHBondContact O-N 3.4Å; E457-K660 IonicContact OE1-NZ 2.8Å; E457-K660 PolarHBondContact OE1-NZ 3.24Å; E457-K660 IonicContact OE2-NZ 2.82Å; E457-K660 PolarHBondContact OE2-NZ 2.84Å; E457-R748 IonicContact OE2-NH2 2.71Å; E457-R748 PolarHBondContact OE2-NH2 2.8Å
458	L	97.4	Very high	98.1	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.021	28%	0.282	C	S	.	.			trans	-73.8	109	-175.7	-59.1	-178.2	0	0	0	110.5	T454 L455 W460 M461 K466 W750	T454-L458 HydrophobicContact CG2-CD2 4.34Å; T454-L458 WeakPolarHBondContact O-CG 3.31Å; T454-L458 PolarHBondContact O-N 3.31Å; L455-L458 HydrophobicContact CD2-CD1 4.11Å; L455-L458 PolarHBondContact O-N 3.48Å; L458-W460 VanDerWaalsContact C-N 3.28Å; L458-W460 HydrophobicContact CD1-CZ2 3.92Å; L458-W460 PolarHBondContact O-N 3.05Å; L458-M461 HydrophobicContact CD1-SD 3.73Å; L458-K466 WeakPolarHBondContact O-CE 3.35Å; L458-K466 PolarHBondContact O-NZ 3.26Å; L458-W750 HydrophobicContact CD1-CE3 3.7Å; L458-W750 HydrophobicContact CD1-CZ3 3.83Å
459	T	97.7	Very high	98.1	Very high	140 Å²	140	54.5 Å²	54.5	86%	0.859	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-13	-178.5	57.3	0	0	0	0	113.7	E457	E457-T459 PolarHBondContact O-N 3.4Å
460	W	98.3	Very high	98.1	Very high	18 Å²	18	54.3 Å²	54.3	7%	0.068	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-2.8	-173.5	62.8	-98.6	0	0	0	113.4	L458 W607 N614 F615 Q618 V749 W750	L458-W460 VanDerWaalsContact C-N 3.28Å; L458-W460 HydrophobicContact CD1-CZ2 3.92Å; L458-W460 PolarHBondContact O-N 3.05Å; W460-W607 HydrophobicContact CH2-CH2 4.07Å; W460-W607 HydrophobicContact CH2-CZ3 4.16Å; W460-W607 HydrophobicContact CZ3-CH2 4.19Å; W460-W607 AromaticContact CZ3-CZ3 3.81Å; W460-W607 HydrophobicContact CZ3-CZ3 3.81Å; W460-N614 HydrophobicContact CB-CB 4.23Å; W460-N614 HydrophobicContact CE3-CB 4.06Å; W460-N614 WeakPolarHBondContact O-CB 3.5Å; W460-N614 PolarHBondContact O-ND2 3.5Å; W460-F615 HydrophobicContact CH2-CB 4.43Å; W460-F615 AromaticContact CH2-CD2 3.85Å; W460-F615 HydrophobicContact CH2-CD2 3.85Å; W460-F615 HydrophobicContact CZ3-CB 3.81Å; W460-F615 HydrophobicContact CZ3-CD2 4.1Å; W460-F615 HydrophobicContact CZ3-CG 4.47Å; W460-Q618 HydrophobicContact CB-CG 4.25Å; W460-Q618 HydrophobicContact CD2-CG 4Å; W460-Q618 HydrophobicContact CE3-CG 4.48Å; W460-Q618 HydrophobicContact CG-CG 3.85Å; W460-V749 HydrophobicContact CH2-CG1 4.16Å; W460-V749 HydrophobicContact CZ2-CG1 3.92Å; W460-V749 VanDerWaalsContact CZ2-O 3.27Å; W460-V749 WeakPolarHBondContact CZ2-O 3.37Å; W460-V749 PolarHBondContact NE1-O 3.35Å; W460-W750 AromaticContact CH2-CH2 3.84Å; W460-W750 HydrophobicContact CH2-CH2 3.84Å; W460-W750 HydrophobicContact CH2-CZ2 4.03Å; W460-W750 HydrophobicContact CH2-CZ3 4.18Å; W460-W750 HydrophobicContact CZ2-CE3 4.32Å; W460-W750 HydrophobicContact CZ2-CH2 4.26Å; W460-W750 HydrophobicContact CZ2-CZ2 4.48Å; W460-W750 HydrophobicContact CZ2-CZ3 4.18Å
461	M	98.1	Very high	98.1	Very high	13 Å²	13	58.5 Å²	58.5	6%	0.064	29%	0.292	C	S	.	.	S	Bend	trans	-115.1	140.6	176.6	-64.1	175.4	72.2	0	0	111.3	L458 T465 K466 A469 W607 S611 W750	L458-M461 HydrophobicContact CD1-SD 3.73Å; M461-T465 HydrophobicContact CE-CG2 3.58Å; M461-K466 HydrophobicContact CB-CG 3.91Å; M461-K466 HydrophobicContact CE-CG 4.49Å; M461-K466 WeakPolarHBondContact O-CE 3.19Å; M461-A469 HydrophobicContact CE-CB 4.24Å; M461-W607 HydrophobicContact CE-CH2 3.97Å; M461-W607 HydrophobicContact CE-CZ3 4.02Å; M461-S611 WeakPolarHBondContact CA-OG 3.45Å; M461-W750 HydrophobicContact CE-CH2 4.04Å; M461-W750 HydrophobicContact CE-CZ3 4.16Å; M461-W750 HydrophobicContact SD-CH2 3.84Å; M461-W750 HydrophobicContact SD-CZ3 3.61Å
462	D	98.4	Very high	98.1	Very high	39 Å²	39	58.4 Å²	58.4	21%	0.209	29%	0.292	C	S	.	.			trans	-75.3	165	170.9	69.3	71.6	0	0	0	112.6	E464 T465 K466 T608 S611	D462-E464 VanDerWaalsContact C-N 3.32Å; D462-E464 PolarHBondContact O-N 3.14Å; D462-E464 WeakPolarHBondContact OD1-CA 3.39Å; D462-E464 VanDerWaalsContact OD1-CB 3.29Å; D462-E464 WeakPolarHBondContact OD1-CB 3.33Å; D462-E464 PolarHBondContact OD1-N 3.23Å; D462-T465 PolarHBondContact O-N 2.85Å; D462-T465 PolarHBondContact OD1-N 3.03Å; D462-T465 PolarHBondContact OD1-OG1 3.1Å; D462-T465 PolarHBondContact OD2-OG1 3.05Å; D462-K466 VanDerWaalsContact O-CG 3.31Å; D462-K466 WeakPolarHBondContact O-CG 3.41Å; D462-K466 PolarHBondContact O-N 3.14Å; D462-T608 WeakPolarHBondContact OD2-CB 3.21Å; D462-T608 VanDerWaalsContact OD2-CG2 3.23Å; D462-T608 WeakPolarHBondContact OD2-CG2 3.43Å; D462-T608 PolarHBondContact OD2-OG1 3.38Å; D462-S611 PolarHBondContact N-OG 3.13Å; D462-S611 WeakPolarHBondContact OD2-CB 3.42Å; D462-S611 PolarHBondContact OD2-OG 3.24Å
463	V	98.3	Very high	98.1	Very high	123 Å²	123	56.8 Å²	56.8	75%	0.745	28%	0.284	S	S	*	.	H	α-helix	trans	-63.6	-33.9	-176.9	177.9	0	0	0	0	112.8	K467	V463-K467 PolarHBondContact O-N 3.49Å; V463-K467 VanDerWaalsContact O-N 3.15Å
464	E	98.1	Very high	98.1	Very high	109 Å²	109	55.6 Å²	55.6	51%	0.509	29%	0.286	S	S	.	.	H	α-helix	trans	-67.9	-47.9	179.9	-174.1	-170.5	149.4	0	0	110.6	D462 K467 K468	D462-E464 VanDerWaalsContact C-N 3.32Å; D462-E464 PolarHBondContact O-N 3.14Å; D462-E464 WeakPolarHBondContact OD1-CA 3.39Å; D462-E464 VanDerWaalsContact OD1-CB 3.29Å; D462-E464 WeakPolarHBondContact OD1-CB 3.33Å; D462-E464 PolarHBondContact OD1-N 3.23Å; E464-K467 PolarHBondContact O-N 3.24Å; E464-K468 PolarHBondContact O-N 3.41Å; E464-K468 WeakPolarHBondContact OE1-CE 3.38Å; E464-K468 IonicContact OE1-NZ 2.95Å; E464-K468 PolarHBondContact OE1-NZ 3.33Å
465	T	98.6	Very high	98.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.8	-40	179.4	-53.6	0	0	0	0	110.9	M461 D462 K467 K468 A469 W606 W607 T608 S611	M461-T465 HydrophobicContact CE-CG2 3.58Å; D462-T465 PolarHBondContact O-N 2.85Å; D462-T465 PolarHBondContact OD1-N 3.03Å; D462-T465 PolarHBondContact OD1-OG1 3.1Å; D462-T465 PolarHBondContact OD2-OG1 3.05Å; T465-K467 VanDerWaalsContact C-N 3.34Å; T465-K467 PolarHBondContact O-N 2.78Å; T465-K468 PolarHBondContact O-N 3.25Å; T465-A469 PolarHBondContact O-N 2.84Å; T465-W606 HydrophobicContact CG2-CE3 4.48Å; T465-W606 HydrophobicContact CG2-CZ3 4.11Å; T465-W607 HydrophobicContact CG2-CB 4.4Å; T465-W607 HydrophobicContact CG2-CD2 3.72Å; T465-W607 HydrophobicContact CG2-CE3 3.53Å; T465-W607 HydrophobicContact CG2-CG 4.13Å; T465-W607 HydrophobicContact CG2-CZ3 3.98Å; T465-T608 PolarHBondContact OG1-N 2.78Å; T465-S611 WeakPolarHBondContact OG1-CB 3.24Å; T465-S611 PolarHBondContact OG1-OG 3.37Å
466	K	98.8	Very high	98.2	Very high	32 Å²	32	57.2 Å²	57.2	14%	0.139	30%	0.299	C	S	.	.	H	α-helix	trans	-57.3	-44.8	173.6	-74.5	179.2	-175	-161	0	112.4	L455 D456 L458 M461 D462 K468 A469 E470	L455-K466 HydrophobicContact CB-CG 4.46Å; L455-K466 VanDerWaalsContact O-CD 3.25Å; L455-K466 WeakPolarHBondContact O-CD 3.23Å; L455-K466 WeakPolarHBondContact O-CE 3.41Å; L455-K466 PolarHBondContact O-NZ 3.21Å; D456-K466 PolarHBondContact O-NZ 3.03Å; D456-K466 VanDerWaalsContact O-NZ 3.16Å; L458-K466 WeakPolarHBondContact O-CE 3.35Å; L458-K466 PolarHBondContact O-NZ 3.26Å; M461-K466 HydrophobicContact CB-CG 3.91Å; M461-K466 HydrophobicContact CE-CG 4.49Å; M461-K466 WeakPolarHBondContact O-CE 3.19Å; D462-K466 VanDerWaalsContact O-CG 3.31Å; D462-K466 WeakPolarHBondContact O-CG 3.41Å; D462-K466 PolarHBondContact O-N 3.14Å; K466-K468 VanDerWaalsContact C-N 3.32Å; K466-K468 PolarHBondContact O-N 2.97Å; K466-A469 WeakPolarHBondContact O-CB 3.34Å; K466-A469 PolarHBondContact O-N 3.44Å; K466-E470 PolarHBondContact O-N 3Å
467	K	98.5	Very high	98.3	Very high	129 Å²	129	54.1 Å²	54.1	56%	0.561	28%	0.277	S	S	*	.	H	α-helix	trans	-62.1	-39.4	178.4	-175	177.8	-179.8	179.6	0	112.3	V463 E464 T465 E470 Q471	V463-K467 PolarHBondContact O-N 3.49Å; V463-K467 VanDerWaalsContact O-N 3.15Å; E464-K467 PolarHBondContact O-N 3.24Å; T465-K467 VanDerWaalsContact C-N 3.34Å; T465-K467 PolarHBondContact O-N 2.78Å; K467-E470 PolarHBondContact O-N 3.1Å; K467-Q471 VanDerWaalsContact O-CG 3.3Å; K467-Q471 WeakPolarHBondContact O-CG 3.42Å; K467-Q471 PolarHBondContact O-N 2.93Å
468	K	98.6	Very high	98.3	Very high	56 Å²	56	51.9 Å²	51.9	24%	0.243	27%	0.267	C	S	.	.	H	α-helix	trans	-70.4	-36.9	176	-67.6	171.9	-179.8	171.2	0	111.9	E464 T465 K466 Q471 K472 W606	E464-K468 PolarHBondContact O-N 3.41Å; E464-K468 WeakPolarHBondContact OE1-CE 3.38Å; E464-K468 IonicContact OE1-NZ 2.95Å; E464-K468 PolarHBondContact OE1-NZ 3.33Å; T465-K468 PolarHBondContact O-N 3.25Å; K466-K468 VanDerWaalsContact C-N 3.32Å; K466-K468 PolarHBondContact O-N 2.97Å; K468-Q471 WeakPolarHBondContact O-CB 3.47Å; K468-Q471 PolarHBondContact O-N 3.17Å; K468-K472 PolarHBondContact O-N 3.16Å; K468-W606 HydrophobicContact CB-CD2 4.46Å; K468-W606 HydrophobicContact CB-CE3 3.63Å; K468-W606 HydrophobicContact CB-CZ3 4.11Å; K468-W606 HydrophobicContact CD-CB 4.1Å; K468-W606 HydrophobicContact CD-CE3 4.37Å; K468-W606 WeakPolarHBondContact CD-O 3.43Å; K468-W606 PolarHBondContact NZ-O 3Å
469	A	98.8	Very high	98.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-42	173.2	0	0	0	0	0	111.9	L455 M461 T465 K466 K472 A473 F590 W606	L455-A469 HydrophobicContact CD1-CB 3.99Å; L455-A469 HydrophobicContact CD2-CB 4.08Å; M461-A469 HydrophobicContact CE-CB 4.24Å; T465-A469 PolarHBondContact O-N 2.84Å; K466-A469 WeakPolarHBondContact O-CB 3.34Å; K466-A469 PolarHBondContact O-N 3.44Å; A469-K472 PolarHBondContact O-N 2.76Å; A469-A473 WeakPolarHBondContact O-CB 3.48Å; A469-A473 PolarHBondContact O-N 3.27Å; A469-F590 HydrophobicContact CB-CD1 4.44Å; A469-F590 HydrophobicContact CB-CE1 3.99Å; A469-F590 WeakPolarHBondContact O-CZ 3.35Å; A469-W606 HydrophobicContact CB-CH2 4.24Å; A469-W606 HydrophobicContact CB-CZ3 4.17Å
470	E	98.8	Very high	98.3	Very high	90 Å²	90	47.4 Å²	47.4	42%	0.421	24%	0.235	S	C	.	.	H	α-helix	trans	-60.2	-46.2	172.8	177.2	-177.1	-171.4	0	0	111.9	I452 L455 K466 K467 K472 A473 T474	I452-E470 HydrophobicContact CG1-CG 4.49Å; I452-E470 HydrophobicContact CG2-CG 3.84Å; L455-E470 HydrophobicContact CD1-CB 4.01Å; K466-E470 PolarHBondContact O-N 3Å; K467-E470 PolarHBondContact O-N 3.1Å; E470-K472 VanDerWaalsContact C-N 3.32Å; E470-K472 PolarHBondContact O-N 3.16Å; E470-A473 PolarHBondContact O-N 2.71Å; E470-T474 WeakPolarHBondContact O-CB 3.46Å; E470-T474 PolarHBondContact O-N 2.87Å; E470-T474 PolarHBondContact O-OG1 3.07Å
471	Q	98.6	Very high	98.2	Very high	94 Å²	94	46.6 Å²	46.6	44%	0.439	23%	0.231	S	C	.	.	H	α-helix	trans	-57	-46.5	176.5	-74.4	171.2	-17.4	0	0	111.4	K467 K468 T474 A475	K467-Q471 VanDerWaalsContact O-CG 3.3Å; K467-Q471 WeakPolarHBondContact O-CG 3.42Å; K467-Q471 PolarHBondContact O-N 2.93Å; K468-Q471 WeakPolarHBondContact O-CB 3.47Å; K468-Q471 PolarHBondContact O-N 3.17Å; Q471-T474 PolarHBondContact O-N 2.78Å; Q471-A475 WeakPolarHBondContact O-CB 3.33Å; Q471-A475 PolarHBondContact O-N 2.84Å; Q471-A475 VanDerWaalsContact O-N 3.14Å
472	K	98.7	Very high	98.2	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-63.7	-47.1	177.3	-178.8	173.5	-173.6	-178.3	0	112.4	K468 A469 E470 T474 A475 I476 N551 G589 F590 G594 F597 E599 W606	K468-K472 PolarHBondContact O-N 3.16Å; A469-K472 PolarHBondContact O-N 2.76Å; E470-K472 VanDerWaalsContact C-N 3.32Å; E470-K472 PolarHBondContact O-N 3.16Å; K472-T474 VanDerWaalsContact C-N 3.27Å; K472-T474 PolarHBondContact O-N 3.48Å; K472-A475 PolarHBondContact O-N 3.35Å; K472-A475 VanDerWaalsContact O-N 3.09Å; K472-I476 PolarHBondContact O-N 2.99Å; K472-N551 PolarHBondContact O-ND2 3.05Å; K472-G589 WeakPolarHBondContact CE-O 3.2Å; K472-G589 PolarHBondContact NZ-O 2.87Å; K472-F590 HydrophobicContact CB-CE1 4.01Å; K472-F590 HydrophobicContact CB-CZ 4.03Å; K472-F590 HydrophobicContact CD-CD1 4.48Å; K472-F590 HydrophobicContact CD-CE1 3.85Å; K472-F590 HydrophobicContact CD-CZ 4.1Å; K472-F590 HydrophobicContact CG-CE1 4.07Å; K472-F590 HydrophobicContact CG-CZ 3.93Å; K472-G594 PolarHBondContact NZ-O 3.03Å; K472-F597 WeakPolarHBondContact CD-O 3.48Å; K472-F597 VanDerWaalsContact CE-O 3.29Å; K472-F597 WeakPolarHBondContact CE-O 3.43Å; K472-F597 PolarHBondContact NZ-O 2.85Å; K472-E599 HydrophobicContact CB-CB 4.29Å; K472-W606 HydrophobicContact CD-CZ2 4.02Å
473	A	98.7	Very high	98	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-39.4	-179.2	0	0	0	0	0	111.5	R448 F451 I452 A469 E470 A475 I476 F590	R448-A473 WeakPolarHBondContact CD-O 3.31Å; R448-A473 PolarHBondContact NE-O 3.15Å; F451-A473 HydrophobicContact CD1-CB 3.72Å; F451-A473 HydrophobicContact CE1-CB 3.85Å; I452-A473 HydrophobicContact CD1-CB 4.38Å; I452-A473 HydrophobicContact CG1-CB 3.97Å; A469-A473 WeakPolarHBondContact O-CB 3.48Å; A469-A473 PolarHBondContact O-N 3.27Å; E470-A473 PolarHBondContact O-N 2.71Å; A473-A475 VanDerWaalsContact C-N 3.3Å; A473-A475 PolarHBondContact O-N 3.47Å; A473-I476 PolarHBondContact O-N 2.71Å; A473-F590 HydrophobicContact CB-CE2 4.21Å; A473-F590 HydrophobicContact CB-CZ 3.81Å
474	T	98.4	Very high	97.8	Very high	82 Å²	82	44.2 Å²	44.2	50%	0.503	21%	0.214	S	C	.	.	H	α-helix	trans	-66.9	-32.2	176.7	-56.2	0	0	0	0	112.2	E470 Q471 K472 I476	E470-T474 WeakPolarHBondContact O-CB 3.46Å; E470-T474 PolarHBondContact O-N 2.87Å; E470-T474 PolarHBondContact O-OG1 3.07Å; Q471-T474 PolarHBondContact O-N 2.78Å; K472-T474 VanDerWaalsContact C-N 3.27Å; K472-T474 PolarHBondContact O-N 3.48Å; T474-I476 VanDerWaalsContact C-N 3.35Å
475	A	98.4	Very high	97.7	Very high	36 Å²	36	42.9 Å²	42.9	30%	0.298	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.2	-179.1	0	0	0	0	0	114.6	Q471 K472 A473 R477 E599	Q471-A475 WeakPolarHBondContact O-CB 3.33Å; Q471-A475 PolarHBondContact O-N 2.84Å; Q471-A475 VanDerWaalsContact O-N 3.14Å; K472-A475 PolarHBondContact O-N 3.35Å; K472-A475 VanDerWaalsContact O-N 3.09Å; A473-A475 VanDerWaalsContact C-N 3.3Å; A473-A475 PolarHBondContact O-N 3.47Å; A475-R477 PolarHBondContact O-N 3.19Å; A475-E599 HydrophobicContact CB-CB 3.73Å; A475-E599 HydrophobicContact CB-CG 4.45Å
476	I	98.5	Very high	97.6	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.031	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-59.3	125	177.2	-68.8	171.4	0	0	0	109.4	R448 K472 A473 T474 N551 I553 I586 F590	R448-I476 PolarHBondContact NH2-O 3.17Å; K472-I476 PolarHBondContact O-N 2.99Å; A473-I476 PolarHBondContact O-N 2.71Å; T474-I476 VanDerWaalsContact C-N 3.35Å; I476-N551 WeakPolarHBondContact CA-O 2.91Å; I476-N551 WeakPolarHBondContact CG1-OD1 3.38Å; I476-I553 HydrophobicContact CG2-CB 4.34Å; I476-I553 HydrophobicContact CG2-CD1 3.82Å; I476-I553 HydrophobicContact CG2-CG1 3.77Å; I476-I553 HydrophobicContact CG2-CG2 3.85Å; I476-I586 HydrophobicContact CD1-CG1 4.45Å; I476-I586 HydrophobicContact CD1-CG2 4.08Å; I476-F590 HydrophobicContact CD1-CE2 4.3Å
477	R	98	Very high	97.4	Very high	68 Å²	68	43.8 Å²	43.8	26%	0.257	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125.4	175.1	-61.3	177.6	-178.8	79.2	11.4	109.7	A475 R550 N551 Q552 I553	A475-R477 PolarHBondContact O-N 3.19Å; R477-R550 PolarHBondContact NH1-O 2.91Å; R477-N551 PolarHBondContact N-O 3.14Å; R477-Q552 HydrophobicContact CB-CB 4.21Å; R477-Q552 HydrophobicContact CB-CG 4.18Å; R477-Q552 CarbonylContact O-C 3.49Å; R477-Q552 VanDerWaalsContact O-CA 3.24Å; R477-Q552 WeakPolarHBondContact O-CA 3.3Å; R477-Q552 WeakPolarHBondContact O-CG 3.42Å; R477-I553 PolarHBondContact O-N 2.91Å
478	E	97.1	Very high	97.3	Very high	50 Å²	50	43 Å²	43	23%	0.234	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	138.2	177.9	66.6	-145	-144.6	0	0	112.4	I444 R448 I480 I553	I444-E478 HydrophobicContact CD1-CB 4.38Å; I444-E478 HydrophobicContact CG2-CB 4.32Å; R448-E478 IonicContact CZ-OE2 3.22Å; R448-E478 IonicContact NH1-OE2 3.02Å; R448-E478 PolarHBondContact NH1-OE2 3.49Å; R448-E478 IonicContact NH2-OE2 3.58Å; R448-E478 PolarHBondContact NH2-OE2 3.42Å; E478-I480 HydrophobicContact CG-CD1 4.44Å; E478-I553 HydrophobicContact CB-CD1 4.33Å; E478-I553 HydrophobicContact CB-CG1 4.09Å
479	R	97.4	Very high	97.2	Very high	40 Å²	40	43.3 Å²	43.3	15%	0.151	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.7	172.4	-59.1	-57.5	180	-151.2	-10.9	109.5	E533 W535 Q552 I553 V554 F555	R479-E533 IonicContact CZ-OE2 3.32Å; R479-E533 VanDerWaalsContact CZ-OE2 3.24Å; R479-E533 IonicContact NH1-OE2 2.88Å; R479-E533 PolarHBondContact NH1-OE2 2.98Å; R479-E533 IonicContact NH2-OE1 3.16Å; R479-E533 PolarHBondContact NH2-OE1 2.95Å; R479-E533 IonicContact NH2-OE2 3.44Å; R479-E533 PolarHBondContact NH2-OE2 2.81Å; R479-W535 HydrophobicContact CB-CD2 3.86Å; R479-W535 HydrophobicContact CB-CE3 4.01Å; R479-W535 HydrophobicContact CB-CH2 3.72Å; R479-W535 HydrophobicContact CB-CZ2 3.59Å; R479-W535 HydrophobicContact CB-CZ3 3.94Å; R479-W535 HydrophobicContact CG-CD2 4.13Å; R479-W535 HydrophobicContact CG-CG 4.37Å; R479-W535 HydrophobicContact CG-CZ2 4.26Å; R479-Q552 HydrophobicContact CG-CG 3.97Å; R479-I553 PolarHBondContact N-O 3.36Å; R479-V554 HydrophobicContact CB-CB 4.21Å; R479-V554 HydrophobicContact CB-CG1 3.99Å; R479-V554 HydrophobicContact CB-CG2 3.84Å; R479-V554 HydrophobicContact CG-CG2 4.01Å; R479-V554 WeakPolarHBondContact O-CA 3.36Å; R479-F555 PolarHBondContact O-N 3.46Å
480	I	97.4	Very high	97.1	Very high	10 Å²	10	46.3 Å²	46.3	5%	0.051	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	122.6	-167.7	-50.5	168.4	0	0	0	109.9	K437 V440 Q441 I444 E478 Y482 L560	K437-I480 HydrophobicContact CG-CB 4.25Å; K437-I480 HydrophobicContact CG-CG2 4.09Å; V440-I480 HydrophobicContact CB-CG2 3.98Å; V440-I480 HydrophobicContact CG1-CG2 3.76Å; Q441-I480 HydrophobicContact CB-CD1 3.65Å; Q441-I480 HydrophobicContact CG-CD1 3.99Å; I444-I480 HydrophobicContact CD1-CD1 3.58Å; I444-I480 HydrophobicContact CD1-CG1 3.72Å; E478-I480 HydrophobicContact CG-CD1 4.44Å; I480-Y482 PolarHBondContact O-N 3.39Å; I480-L560 HydrophobicContact CG2-CD1 3.93Å
481	G	96.5	Very high	97.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	78.1	-82.4	178.7	0	0	0	0	0	112.7	A539 F555 A557	G481-A539 WeakPolarHBondContact O-CB 3.45Å; G481-F555 PolarHBondContact N-O 3.28Å; G481-A557 PolarHBondContact O-N 2.68Å
482	Y	96.8	Very high	97	Very high	31 Å²	31	48.5 Å²	48.5	12%	0.122	25%	0.253	C	S	.	.			trans	-156.9	157.8	-175	60.8	-86.9	0	0	0	112.4	V428 F432 I480 I486 L487 W535	V428-Y482 HydrophobicContact CB-CD1 3.93Å; V428-Y482 HydrophobicContact CB-CE1 4.24Å; V428-Y482 HydrophobicContact CB-CG 4.38Å; V428-Y482 HydrophobicContact CG1-CD1 3.63Å; V428-Y482 HydrophobicContact CG1-CE1 4.4Å; V428-Y482 HydrophobicContact CG1-CG 3.97Å; V428-Y482 HydrophobicContact CG2-CD1 4.11Å; V428-Y482 HydrophobicContact CG2-CD2 4.4Å; V428-Y482 HydrophobicContact CG2-CE1 4.35Å; V428-Y482 HydrophobicContact CG2-CG 4.15Å; F432-Y482 HydrophobicContact CD1-CD1 4.02Å; F432-Y482 AromaticContact CD1-CE1 3.71Å; F432-Y482 HydrophobicContact CD1-CE1 3.71Å; F432-Y482 HydrophobicContact CE1-CD1 4.18Å; F432-Y482 AromaticContact CE1-CE1 3.88Å; F432-Y482 HydrophobicContact CE1-CE1 3.88Å; I480-Y482 PolarHBondContact O-N 3.39Å; Y482-I486 HydrophobicContact CD2-CD1 4.24Å; Y482-I486 HydrophobicContact CD2-CG1 4.23Å; Y482-I486 HydrophobicContact CG-CD1 4.4Å; Y482-L487 HydrophobicContact CD2-CD1 4.22Å; Y482-L487 HydrophobicContact CD2-CG 4.22Å; Y482-L487 HydrophobicContact CE2-CD1 3.34Å; Y482-L487 HydrophobicContact CE2-CG 3.74Å; Y482-L487 WeakPolarHBondContact OH-CD1 3.29Å; Y482-W535 WeakPolarHBondContact O-CZ2 3.4Å
483	P	95.7	Very high	96.9	Very high	17 Å²	17	48.8 Å²	48.8	11%	0.11	25%	0.254	C	S	.	.			trans	-70.7	124.7	168.8	13.3	-11.7	0	0	0	111	E485 I486 W535	P483-E485 PolarHBondContact O-N 3.22Å; P483-I486 HydrophobicContact CB-CG2 4.35Å; P483-I486 HydrophobicContact CG-CG2 3.82Å; P483-I486 WeakPolarHBondContact O-CG1 3.4Å; P483-I486 PolarHBondContact O-N 3.32Å; P483-I486 VanDerWaalsContact O-N 3.1Å; P483-W535 HydrophobicContact CB-CZ2 4.47Å; P483-W535 HydrophobicContact CG-CD2 4.08Å; P483-W535 HydrophobicContact CG-CG 4.13Å
484	D	94	Very high	96.9	Very high	78 Å²	78	50.5 Å²	50.5	42%	0.417	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.6	-172	-66.5	-40.8	0	0	0	113.2	K437 I486 L487 T488	K437-D484 VanDerWaalsContact NZ-CG 3.27Å; K437-D484 IonicContact NZ-OD1 2.71Å; K437-D484 PolarHBondContact NZ-OD1 2.04Å; K437-D484 IonicContact NZ-OD2 2.69Å; K437-D484 PolarHBondContact NZ-OD2 3.34Å; D484-I486 VanDerWaalsContact C-N 3.27Å; D484-I486 PolarHBondContact O-N 3.12Å; D484-L487 PolarHBondContact O-N 3.11Å; D484-T488 PolarHBondContact O-N 3.37Å; D484-T488 VanDerWaalsContact O-N 3.15Å; D484-T488 PolarHBondContact O-OG1 3.41Å
485	E	94.6	Very high	96.9	Very high	80 Å²	80	49.6 Å²	49.6	37%	0.374	26%	0.26	S	S	.	.	H	α-helix	trans	-66.9	-23.2	179.6	-55.7	101.8	119.3	0	0	113.8	P483 L487 T488 D489 K492	P483-E485 PolarHBondContact O-N 3.22Å; E485-L487 PolarHBondContact O-N 3.16Å; E485-T488 WeakPolarHBondContact CA-OG1 3.43Å; E485-T488 PolarHBondContact O-N 3.17Å; E485-D489 HydrophobicContact CB-CB 4.34Å; E485-D489 PolarHBondContact O-N 2.7Å; E485-K492 HydrophobicContact CB-CD 4.13Å; E485-K492 HydrophobicContact CG-CD 4.48Å; E485-K492 IonicContact OE1-NZ 2.77Å; E485-K492 PolarHBondContact OE1-NZ 3.39Å
486	I	96.6	Very high	96.8	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.041	26%	0.257	C	S	.	.	H	α-helix	trans	-67.9	-26.1	177.2	78.7	-175.9	0	0	0	111.5	N421 R425 Y482 P483 D484	N421-I486 HydrophobicContact CB-CG2 3.87Å; R425-I486 HydrophobicContact CB-CB 4.44Å; R425-I486 HydrophobicContact CB-CD1 4.44Å; R425-I486 HydrophobicContact CB-CG1 4.24Å; R425-I486 WeakPolarHBondContact CD-O 3.34Å; R425-I486 WeakPolarHBondContact CG-O 3.07Å; R425-I486 PolarHBondContact NH1-O 2.96Å; Y482-I486 HydrophobicContact CD2-CD1 4.24Å; Y482-I486 HydrophobicContact CD2-CG1 4.23Å; Y482-I486 HydrophobicContact CG-CD1 4.4Å; P483-I486 HydrophobicContact CB-CG2 4.35Å; P483-I486 HydrophobicContact CG-CG2 3.82Å; P483-I486 WeakPolarHBondContact O-CG1 3.4Å; P483-I486 PolarHBondContact O-N 3.32Å; P483-I486 VanDerWaalsContact O-N 3.1Å; D484-I486 VanDerWaalsContact C-N 3.27Å; D484-I486 PolarHBondContact O-N 3.12Å
487	L	95.3	Very high	96.8	Very high	43 Å²	43	50.2 Å²	50.2	23%	0.225	26%	0.257	C	S	.	.	H	α-helix	trans	-89.5	-36.2	174.9	-65.9	-170.1	0	0	0	112.4	R425 V428 E429 Y482 D484 E485	R425-L487 HydrophobicContact CB-CD2 4.5Å; R425-L487 HydrophobicContact CG-CD2 3.72Å; R425-L487 VanDerWaalsContact NH1-C 3.25Å; R425-L487 VanDerWaalsContact NH1-CA 3.3Å; R425-L487 PolarHBondContact NH1-O 3.44Å; V428-L487 HydrophobicContact CG2-CD1 4.18Å; V428-L487 HydrophobicContact CG2-CD2 3.68Å; V428-L487 HydrophobicContact CG2-CG 4.18Å; E429-L487 HydrophobicContact CG-CD2 3.81Å; Y482-L487 HydrophobicContact CD2-CD1 4.22Å; Y482-L487 HydrophobicContact CD2-CG 4.22Å; Y482-L487 HydrophobicContact CE2-CD1 3.34Å; Y482-L487 HydrophobicContact CE2-CG 3.74Å; Y482-L487 WeakPolarHBondContact OH-CD1 3.29Å; D484-L487 PolarHBondContact O-N 3.11Å; E485-L487 PolarHBondContact O-N 3.16Å
488	T	95.8	Very high	96.8	Very high	113 Å²	113	52.8 Å²	52.8	69%	0.693	27%	0.272	S	S	*	.	H	α-helix	trans	-103	-24	-165.3	56	0	0	0	0	115	D484 E485	D484-T488 PolarHBondContact O-N 3.37Å; D484-T488 VanDerWaalsContact O-N 3.15Å; D484-T488 PolarHBondContact O-OG1 3.41Å; E485-T488 WeakPolarHBondContact CA-OG1 3.43Å; E485-T488 PolarHBondContact O-N 3.17Å
489	D	97.3	Very high	96.8	Very high	63 Å²	63	54.3 Å²	54.3	34%	0.337	28%	0.279	S	S	.	.			trans	-119.4	85.3	-177.2	-169.5	-15.7	0	0	0	112.2	E485 N491 K492 L493	E485-D489 HydrophobicContact CB-CB 4.34Å; E485-D489 PolarHBondContact O-N 2.7Å; D489-N491 PolarHBondContact O-N 2.84Å; D489-N491 PolarHBondContact OD1-N 3.05Å; D489-K492 HydrophobicContact CB-CB 4.02Å; D489-K492 VanDerWaalsContact CG-CB 3.41Å; D489-K492 PolarHBondContact O-N 3.13Å; D489-K492 PolarHBondContact OD1-N 2.89Å; D489-K492 WeakPolarHBondContact OD2-CB 3.37Å; D489-L493 PolarHBondContact O-N 3.26Å; D489-L493 VanDerWaalsContact O-N 3.16Å
490	N	97.4	Very high	96.8	Very high	62 Å²	62	52.5 Å²	52.5	33%	0.332	27%	0.272	S	S	.	.	H	α-helix	trans	-60.2	-30.4	177.3	-67.5	-16.6	0	0	0	112.9	I130 R425 N494	I130-N490 HydrophobicContact CD1-CB 4.39Å; I130-N490 HydrophobicContact CG2-CB 4.3Å; R425-N490 PolarHBondContact NH1-OD1 3.03Å; N490-N494 VanDerWaalsContact O-CB 3.28Å; N490-N494 WeakPolarHBondContact O-CB 3.38Å; N490-N494 PolarHBondContact O-N 3.19Å; N490-N494 PolarHBondContact O-ND2 3.48Å; N490-N494 VanDerWaalsContact O-ND2 3.1Å
491	N	97.8	Very high	96.8	Very high	122 Å²	122	57.1 Å²	57.1	65%	0.652	30%	0.297	S	S	*	.	H	α-helix	trans	-73.5	-44.2	-177.6	-71	-28.8	0	0	0	110.7	D489 N494 S495	D489-N491 PolarHBondContact O-N 2.84Å; D489-N491 PolarHBondContact OD1-N 3.05Å; N491-N494 PolarHBondContact O-N 3.07Å; N491-S495 VanDerWaalsContact O-CB 3.27Å; N491-S495 WeakPolarHBondContact O-CB 3.4Å; N491-S495 PolarHBondContact O-N 3.04Å; N491-S495 PolarHBondContact O-OG 2.9Å
492	K	96.5	Very high	96.9	Very high	109 Å²	109	58.2 Å²	58.2	47%	0.474	30%	0.301	S	S	.	.	H	α-helix	trans	-59.2	-47.4	174.1	-176.2	177.3	178.2	-177.6	0	110.8	E485 D489 S495 E496	E485-K492 HydrophobicContact CB-CD 4.13Å; E485-K492 HydrophobicContact CG-CD 4.48Å; E485-K492 IonicContact OE1-NZ 2.77Å; E485-K492 PolarHBondContact OE1-NZ 3.39Å; D489-K492 HydrophobicContact CB-CB 4.02Å; D489-K492 VanDerWaalsContact CG-CB 3.41Å; D489-K492 PolarHBondContact O-N 3.13Å; D489-K492 PolarHBondContact OD1-N 2.89Å; D489-K492 WeakPolarHBondContact OD2-CB 3.37Å; K492-S495 PolarHBondContact O-N 3.02Å; K492-E496 PolarHBondContact O-N 3.45Å
493	L	97.8	Very high	97	Very high	6 Å²	6	61.6 Å²	61.6	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-65.4	-41.4	179.9	-172	59.3	0	0	0	112.8	I130 A132 N421 R425 D489 S495 E496 Y497	I130-L493 HydrophobicContact CD1-CD2 3.92Å; A132-L493 HydrophobicContact CB-CD2 4.42Å; A132-L493 HydrophobicContact CB-CG 3.89Å; N421-L493 HydrophobicContact CB-CD1 3.59Å; R425-L493 HydrophobicContact CB-CD2 4.46Å; D489-L493 PolarHBondContact O-N 3.26Å; D489-L493 VanDerWaalsContact O-N 3.16Å; L493-S495 VanDerWaalsContact C-N 3.35Å; L493-E496 PolarHBondContact O-N 2.93Å; L493-Y497 HydrophobicContact CD1-CD2 4.45Å; L493-Y497 HydrophobicContact CD1-CE2 3.75Å; L493-Y497 WeakPolarHBondContact O-CD2 3.42Å
494	N	98.3	Very high	97.1	Very high	37 Å²	37	65.1 Å²	65.1	20%	0.198	33%	0.332	C	S	.	.	H	α-helix	trans	-64.9	-39.2	174.1	-73.5	-27.2	0	0	0	112.2	T131 A132 N490 N491 E496 Y497 Q498	T131-N494 PolarHBondContact N-OD1 2.93Å; A132-N494 WeakPolarHBondContact CB-OD1 3.41Å; A132-N494 PolarHBondContact N-OD1 3.48Å; N490-N494 VanDerWaalsContact O-CB 3.28Å; N490-N494 WeakPolarHBondContact O-CB 3.38Å; N490-N494 PolarHBondContact O-N 3.19Å; N490-N494 PolarHBondContact O-ND2 3.48Å; N490-N494 VanDerWaalsContact O-ND2 3.1Å; N491-N494 PolarHBondContact O-N 3.07Å; N494-E496 VanDerWaalsContact C-N 3.32Å; N494-E496 PolarHBondContact O-N 3.32Å; N494-Y497 PolarHBondContact O-N 3.12Å; N494-Q498 PolarHBondContact O-N 3.31Å
495	S	97.4	Very high	97.3	Very high	63 Å²	63	65.6 Å²	65.6	44%	0.441	33%	0.334	S	S	.	.	H	α-helix	trans	-66.9	-33.8	-179.7	-59.9	0	0	0	0	112	N491 K492 L493 Y497 Q498	N491-S495 VanDerWaalsContact O-CB 3.27Å; N491-S495 WeakPolarHBondContact O-CB 3.4Å; N491-S495 PolarHBondContact O-N 3.04Å; N491-S495 PolarHBondContact O-OG 2.9Å; K492-S495 PolarHBondContact O-N 3.02Å; L493-S495 VanDerWaalsContact C-N 3.35Å; S495-Y497 PolarHBondContact O-N 3.02Å; S495-Q498 VanDerWaalsContact O-CG 3.27Å; S495-Q498 WeakPolarHBondContact O-CG 3.35Å; S495-Q498 PolarHBondContact O-N 3.26Å
496	E	96.8	Very high	97.5	Very high	50 Å²	50	64 Å²	64	23%	0.234	33%	0.327	C	S	.	.	H	α-helix	trans	-56.6	-40.2	175.4	178.3	165.8	-156.5	0	0	112	N421 K492 L493 N494 F517 K521	N421-E496 PolarHBondContact ND2-OE2 2.75Å; K492-E496 PolarHBondContact O-N 3.45Å; L493-E496 PolarHBondContact O-N 2.93Å; N494-E496 VanDerWaalsContact C-N 3.32Å; N494-E496 PolarHBondContact O-N 3.32Å; E496-F517 WeakPolarHBondContact O-CZ 3.43Å; E496-K521 IonicContact OE1-NZ 3.91Å; E496-K521 PolarHBondContact OE1-NZ 3.02Å; E496-K521 VanDerWaalsContact OE1-NZ 3.09Å
497	Y	97.9	Very high	97.6	Very high	4 Å²	4	64.8 Å²	64.8	2%	0.016	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	18.2	-176.5	-53.5	-66.1	0	0	0	113.3	A132 K135 M419 N421 A422 L493 N494 S495 E499 L500	A132-Y497 HydrophobicContact CB-CD2 3.88Å; A132-Y497 HydrophobicContact CB-CE2 4.48Å; K135-Y497 PolarHBondContact NZ-O 2.87Å; M419-Y497 VanDerWaalsContact C-OH 3.29Å; M419-Y497 WeakPolarHBondContact CA-OH 3.25Å; M419-Y497 HydrophobicContact CB-CE1 4.09Å; M419-Y497 HydrophobicContact CE-CD1 3.8Å; M419-Y497 HydrophobicContact CE-CD2 3.76Å; M419-Y497 HydrophobicContact CE-CE1 4.2Å; M419-Y497 HydrophobicContact CE-CE2 4.15Å; M419-Y497 HydrophobicContact CE-CG 3.56Å; M419-Y497 HydrophobicContact CG-CD1 4.3Å; M419-Y497 HydrophobicContact CG-CE1 4.06Å; N421-Y497 PolarHBondContact N-OH 3.05Å; A422-Y497 HydrophobicContact CB-CD2 4.44Å; A422-Y497 HydrophobicContact CB-CE2 3.78Å; L493-Y497 HydrophobicContact CD1-CD2 4.45Å; L493-Y497 HydrophobicContact CD1-CE2 3.75Å; L493-Y497 WeakPolarHBondContact O-CD2 3.42Å; N494-Y497 PolarHBondContact O-N 3.12Å; S495-Y497 PolarHBondContact O-N 3.02Å; Y497-E499 VanDerWaalsContact C-N 3.35Å; Y497-E499 PolarHBondContact O-N 3.26Å; Y497-L500 HydrophobicContact CD1-CD1 3.86Å; Y497-L500 PolarHBondContact O-N 3.17Å
498	Q	97.7	Very high	97.7	Very high	122 Å²	122	63.2 Å²	63.2	57%	0.57	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-36.4	-173	71.3	-175.8	-13	0	0	113.5	K135 N494 S495 L500	K135-Q498 PolarHBondContact NZ-O 3.39Å; N494-Q498 PolarHBondContact O-N 3.31Å; S495-Q498 VanDerWaalsContact O-CG 3.27Å; S495-Q498 WeakPolarHBondContact O-CG 3.35Å; S495-Q498 PolarHBondContact O-N 3.26Å; Q498-L500 PolarHBondContact O-N 3.03Å
499	E	97	Very high	97.9	Very high	83 Å²	83	60.5 Å²	60.5	39%	0.388	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-12	-177.9	-64.9	-169.7	-154	0	0	112.9	Y497 F517 K520 K524	Y497-E499 VanDerWaalsContact C-N 3.35Å; Y497-E499 PolarHBondContact O-N 3.26Å; E499-F517 HydrophobicContact CB-CD2 4.1Å; E499-F517 HydrophobicContact CB-CE2 4.14Å; E499-K520 IonicContact OE1-NZ 3.5Å; E499-K520 IonicContact OE2-NZ 2.68Å; E499-K520 PolarHBondContact OE2-NZ 2.77Å; E499-K524 IonicContact OE1-NZ 3.43Å
500	L	98.4	Very high	98	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	29%	0.285	C	S	.	.			trans	-91.8	129.8	-177.7	-63.8	165.1	0	0	0	110.7	K135 Y497 Q498 Y502 Q513 F517	K135-L500 WeakPolarHBondContact CD-O 3.36Å; K135-L500 WeakPolarHBondContact CE-O 3.47Å; K135-L500 PolarHBondContact NZ-O 2.93Å; Y497-L500 HydrophobicContact CD1-CD1 3.86Å; Y497-L500 PolarHBondContact O-N 3.17Å; Q498-L500 PolarHBondContact O-N 3.03Å; L500-Y502 HydrophobicContact CB-CE1 4.31Å; L500-Y502 HydrophobicContact CB-CE2 4.33Å; L500-Y502 WeakPolarHBondContact CD1-OH 3.21Å; L500-Y502 HydrophobicContact CD2-CE1 4.3Å; L500-Q513 HydrophobicContact CD2-CG 3.97Å; L500-F517 HydrophobicContact CD1-CD1 3.93Å; L500-F517 HydrophobicContact CD1-CE1 4.01Å; L500-F517 HydrophobicContact CD1-CG 4.21Å; L500-F517 HydrophobicContact CD1-CZ 4.36Å; L500-F517 HydrophobicContact CD2-CB 3.63Å; L500-F517 HydrophobicContact CD2-CD1 4.15Å; L500-F517 HydrophobicContact CD2-CD2 4.17Å; L500-F517 HydrophobicContact CD2-CG 3.72Å; L500-F517 HydrophobicContact CG-CB 4.48Å; L500-F517 HydrophobicContact CG-CD1 4.27Å; L500-F517 HydrophobicContact CG-CD2 4.16Å; L500-F517 HydrophobicContact CG-CE2 4.5Å; L500-F517 HydrophobicContact CG-CG 4.04Å
501	N	98.2	Very high	98	Very high	107 Å²	107	55.2 Å²	55.2	57%	0.572	27%	0.271	S	S	*	.			trans	-138.1	96.9	-179.9	-65.1	-75.2	0	0	0	108.2	Q513	N501-Q513 PolarHBondContact O-NE2 3.05Å; N501-Q513 PolarHBondContact O-OE1 3.26Å
502	Y	98.6	Very high	98.1	Very high	23 Å²	23	50.3 Å²	50.3	9%	0.09	25%	0.245	C	C	.	.			trans	-89.4	151.5	-176.1	-54.8	-52.3	0	0	0	112.2	K135 L139 M419 L500 N510 N514	K135-Y502 HydrophobicContact CB-CD2 3.95Å; K135-Y502 HydrophobicContact CB-CE2 4.05Å; K135-Y502 HydrophobicContact CG-CD2 4.46Å; K135-Y502 WeakPolarHBondContact O-CD2 3.49Å; L139-Y502 HydrophobicContact CB-CD2 3.92Å; L139-Y502 HydrophobicContact CB-CE2 4.01Å; L139-Y502 HydrophobicContact CB-CG 4.34Å; L139-Y502 HydrophobicContact CD1-CD1 4.09Å; L139-Y502 HydrophobicContact CD1-CE1 4.08Å; L139-Y502 HydrophobicContact CD1-CG 4.32Å; L139-Y502 HydrophobicContact CD2-CE2 4.16Å; L139-Y502 HydrophobicContact CG-CE2 4.48Å; M419-Y502 HydrophobicContact CE-CE2 4.49Å; M419-Y502 HydrophobicContact SD-CE2 3.72Å; L500-Y502 HydrophobicContact CB-CE1 4.31Å; L500-Y502 HydrophobicContact CB-CE2 4.33Å; L500-Y502 WeakPolarHBondContact CD1-OH 3.21Å; L500-Y502 HydrophobicContact CD2-CE1 4.3Å; Y502-N510 VanDerWaalsContact CA-OD1 3.29Å; Y502-N510 WeakPolarHBondContact CA-OD1 3.45Å; Y502-N510 HydrophobicContact CD1-CB 3.74Å; Y502-N510 HydrophobicContact CE1-CB 4.28Å; Y502-N514 WeakPolarHBondContact CE1-OD1 3.06Å; Y502-N514 PolarHBondContact OH-OD1 3.33Å
503	K	98.5	Very high	98.2	Very high	103 Å²	103	47.8 Å²	47.8	45%	0.448	24%	0.235	S	C	.	.			trans	-122.4	144.5	169.4	-66.5	166	176.4	174.9	0	110.5	S142 D505 E506 N510	S142-K503 WeakPolarHBondContact CB-O 3.49Å; K503-D505 VanDerWaalsContact C-N 3.26Å; K503-D505 PolarHBondContact O-N 3.27Å; K503-E506 HydrophobicContact CB-CB 4.13Å; K503-E506 HydrophobicContact CB-CG 4.2Å; K503-E506 HydrophobicContact CD-CB 4.41Å; K503-E506 HydrophobicContact CD-CG 3.93Å; K503-E506 WeakPolarHBondContact CD-OE1 3.48Å; K503-E506 WeakPolarHBondContact CD-OE2 3.39Å; K503-E506 IonicContact NZ-OE1 3.44Å; K503-E506 PolarHBondContact NZ-OE1 3.48Å; K503-E506 IonicContact NZ-OE2 3.52Å; K503-E506 PolarHBondContact NZ-OE2 2.85Å; K503-E506 PolarHBondContact O-N 2.86Å; K503-N510 PolarHBondContact N-OD1 2.95Å; K503-N510 VanDerWaalsContact N-OD1 3.13Å; K503-N510 PolarHBondContact O-ND2 2.83Å
504	E	97.7	Very high	98.2	Very high	91 Å²	91	47.7 Å²	47.7	43%	0.425	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-21.7	-174.9	-63.5	-168.5	-174.3	0	0	113.5	T138 R141 S142	T138-E504 HydrophobicContact CG2-CG 3.75Å; R141-E504 IonicContact CZ-OE1 3.41Å; R141-E504 VanDerWaalsContact NE-CD 3.3Å; R141-E504 IonicContact NE-OE1 3.41Å; R141-E504 PolarHBondContact NE-OE1 2.92Å; R141-E504 IonicContact NE-OE2 3.1Å; R141-E504 PolarHBondContact NE-OE2 2.93Å; R141-E504 IonicContact NH2-OE1 3.84Å; R141-E504 PolarHBondContact NH2-OE1 3.16Å; S142-E504 WeakPolarHBondContact CA-O 3.47Å; S142-E504 WeakPolarHBondContact CB-O 3.27Å
505	D	98	Very high	98.2	Very high	87 Å²	87	48.2 Å²	48.2	47%	0.465	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	2.3	-177.1	61.4	-30.1	0	0	0	114.1	T148 R152 K503	T148-D505 HydrophobicContact CG2-CB 4.08Å; T148-D505 WeakPolarHBondContact CG2-O 3.46Å; R152-D505 PolarHBondContact NH1-O 2.62Å; K503-D505 VanDerWaalsContact C-N 3.26Å; K503-D505 PolarHBondContact O-N 3.27Å
506	E	98.3	Very high	98.2	Very high	48 Å²	48	47.6 Å²	47.6	22%	0.224	23%	0.23	C	C	.	.			trans	-124.7	52.5	-174.9	-58.1	-172.7	-175.2	0	0	112.1	K503 F508 E509 N510	K503-E506 HydrophobicContact CB-CB 4.13Å; K503-E506 HydrophobicContact CB-CG 4.2Å; K503-E506 HydrophobicContact CD-CB 4.41Å; K503-E506 HydrophobicContact CD-CG 3.93Å; K503-E506 WeakPolarHBondContact CD-OE1 3.48Å; K503-E506 WeakPolarHBondContact CD-OE2 3.39Å; K503-E506 IonicContact NZ-OE1 3.44Å; K503-E506 PolarHBondContact NZ-OE1 3.48Å; K503-E506 IonicContact NZ-OE2 3.52Å; K503-E506 PolarHBondContact NZ-OE2 2.85Å; K503-E506 PolarHBondContact O-N 2.86Å; E506-F508 VanDerWaalsContact C-N 3.34Å; E506-F508 PolarHBondContact O-N 2.94Å; E506-E509 WeakPolarHBondContact CA-OE2 3.46Å; E506-E509 HydrophobicContact CB-CB 4.02Å; E506-E509 HydrophobicContact CB-CG 4.3Å; E506-E509 WeakPolarHBondContact CB-OE2 3.29Å; E506-E509 PolarHBondContact O-N 2.83Å; E506-N510 PolarHBondContact O-N 2.8Å; E506-N510 PolarHBondContact O-ND2 2.71Å; E506-N510 PolarHBondContact O-OD1 2.75Å
507	Y	98.7	Very high	98.3	Very high	23 Å²	23	46.8 Å²	46.8	9%	0.09	23%	0.226	C	C	.	.	H	α-helix	trans	-56.6	-42.9	-177.6	177.4	-123.3	0	0	0	113.8	S142 C143 I149 Y414 E509 N510 I511	S142-Y507 WeakPolarHBondContact O-CB 3.23Å; C143-Y507 HydrophobicContact CB-CD2 3.7Å; C143-Y507 HydrophobicContact CB-CE2 3.38Å; C143-Y507 HydrophobicContact CB-CG 4.42Å; C143-Y507 PolarHBondContact SG-OH 2.83Å; C143-Y507 VanDerWaalsContact SG-OH 3.41Å; I149-Y507 HydrophobicContact CD1-CD1 3.59Å; I149-Y507 HydrophobicContact CD1-CE1 4.33Å; I149-Y507 HydrophobicContact CD1-CG 4.14Å; I149-Y507 HydrophobicContact CG1-CD1 4.23Å; Y414-Y507 HydrophobicContact CD1-CE2 4.13Å; Y414-Y507 HydrophobicContact CE1-CE2 4.08Å; Y507-E509 VanDerWaalsContact C-N 3.33Å; Y507-E509 PolarHBondContact O-N 3.02Å; Y507-N510 WeakPolarHBondContact O-CB 3.49Å; Y507-N510 PolarHBondContact O-N 3.42Å; Y507-I511 HydrophobicContact CD1-CD1 3.76Å; Y507-I511 HydrophobicContact CD2-CD1 4.16Å; Y507-I511 HydrophobicContact CD2-CG1 4.27Å; Y507-I511 HydrophobicContact CE1-CD1 3.31Å; Y507-I511 HydrophobicContact CE1-CG1 4.29Å; Y507-I511 HydrophobicContact CE2-CD1 3.73Å; Y507-I511 HydrophobicContact CE2-CG1 3.8Å; Y507-I511 HydrophobicContact CG-CD1 4.18Å; Y507-I511 WeakPolarHBondContact O-CG1 3.4Å; Y507-I511 PolarHBondContact O-N 2.88Å
508	F	98.8	Very high	98.3	Very high	10 Å²	10	49.4 Å²	49.4	4%	0.044	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-45	179.1	-174.8	-89.4	0	0	0	110.9	P156 L157 L160 L379 L383 E506 N510 I511 I512	P156-F508 HydrophobicContact CB-CB 3.8Å; P156-F508 HydrophobicContact CB-CD1 3.29Å; P156-F508 HydrophobicContact CB-CD2 4.13Å; P156-F508 HydrophobicContact CB-CE1 3.81Å; P156-F508 HydrophobicContact CB-CG 3.47Å; P156-F508 VanDerWaalsContact CB-CG 3.47Å; P156-F508 HydrophobicContact CB-CZ 4.41Å; P156-F508 HydrophobicContact CG-CB 4.31Å; P156-F508 HydrophobicContact CG-CG 4.42Å; P156-F508 WeakPolarHBondContact O-CE1 3.22Å; L157-F508 HydrophobicContact CB-CE2 4.29Å; L157-F508 HydrophobicContact CB-CZ 4.09Å; L157-F508 HydrophobicContact CD1-CZ 4.34Å; L160-F508 HydrophobicContact CB-CE1 4.26Å; L160-F508 HydrophobicContact CD2-CE1 3.97Å; L160-F508 HydrophobicContact CD2-CZ 3.84Å; L379-F508 HydrophobicContact CB-CE2 4.23Å; L379-F508 HydrophobicContact CD1-CE2 4.4Å; L379-F508 HydrophobicContact CD1-CZ 4.11Å; L379-F508 HydrophobicContact CD2-CE2 4.44Å; L383-F508 HydrophobicContact CD2-CD2 3.58Å; L383-F508 HydrophobicContact CD2-CE2 3.67Å; L383-F508 HydrophobicContact CD2-CG 4.47Å; L383-F508 HydrophobicContact CG-CD2 4.4Å; L383-F508 HydrophobicContact CG-CE2 4.31Å; E506-F508 VanDerWaalsContact C-N 3.34Å; E506-F508 PolarHBondContact O-N 2.94Å; F508-N510 VanDerWaalsContact C-N 3.34Å; F508-N510 PolarHBondContact O-N 2.87Å; F508-I511 WeakPolarHBondContact O-CB 3.49Å; F508-I511 PolarHBondContact O-N 3.23Å; F508-I512 HydrophobicContact CD1-CG1 4.04Å; F508-I512 HydrophobicContact CE1-CD1 4.2Å; F508-I512 HydrophobicContact CE1-CG1 3.78Å; F508-I512 HydrophobicContact CZ-CD1 4.35Å; F508-I512 HydrophobicContact CZ-CG1 4.41Å; F508-I512 WeakPolarHBondContact O-CG1 3.45Å; F508-I512 PolarHBondContact O-N 3.32Å
509	E	98.8	Very high	98.3	Very high	57 Å²	57	43.8 Å²	43.8	27%	0.266	22%	0.219	S	C	.	.	H	α-helix	trans	-64.9	-37.7	176.9	-65.1	70.5	-163.4	0	0	111.8	R152 E506 Y507 I511 I512 Q513	R152-E509 IonicContact CZ-OE1 2.67Å; R152-E509 IonicContact CZ-OE2 3.39Å; R152-E509 IonicContact NH1-OE2 3.19Å; R152-E509 IonicContact NH2-OE1 2.59Å; R152-E509 PolarHBondContact NH2-OE1 2.88Å; R152-E509 IonicContact NH2-OE2 3.3Å; R152-E509 PolarHBondContact NH2-OE2 2.99Å; R152-E509 VanDerWaalsContact NH2-OE2 3.11Å; E506-E509 WeakPolarHBondContact CA-OE2 3.46Å; E506-E509 HydrophobicContact CB-CB 4.02Å; E506-E509 HydrophobicContact CB-CG 4.3Å; E506-E509 WeakPolarHBondContact CB-OE2 3.29Å; E506-E509 PolarHBondContact O-N 2.83Å; Y507-E509 VanDerWaalsContact C-N 3.33Å; Y507-E509 PolarHBondContact O-N 3.02Å; E509-I511 VanDerWaalsContact C-N 3.31Å; E509-I511 PolarHBondContact O-N 3.34Å; E509-I512 PolarHBondContact O-N 2.88Å; E509-Q513 WeakPolarHBondContact O-CB 3.37Å; E509-Q513 PolarHBondContact O-N 2.92Å
510	N	98.8	Very high	98.4	Very high	3 Å²	3	43 Å²	43	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-60.3	-41.1	173.6	-63.7	-24.5	0	0	0	111.5	L139 S142 Y502 K503 E506 Y507 F508 Q513 N514	L139-N510 HydrophobicContact CD1-CB 3.6Å; S142-N510 WeakPolarHBondContact CB-ND2 3.44Å; S142-N510 PolarHBondContact OG-ND2 3.46Å; Y502-N510 VanDerWaalsContact CA-OD1 3.29Å; Y502-N510 WeakPolarHBondContact CA-OD1 3.45Å; Y502-N510 HydrophobicContact CD1-CB 3.74Å; Y502-N510 HydrophobicContact CE1-CB 4.28Å; K503-N510 PolarHBondContact N-OD1 2.95Å; K503-N510 VanDerWaalsContact N-OD1 3.13Å; K503-N510 PolarHBondContact O-ND2 2.83Å; E506-N510 PolarHBondContact O-N 2.8Å; E506-N510 PolarHBondContact O-ND2 2.71Å; E506-N510 PolarHBondContact O-OD1 2.75Å; Y507-N510 WeakPolarHBondContact O-CB 3.49Å; Y507-N510 PolarHBondContact O-N 3.42Å; F508-N510 VanDerWaalsContact C-N 3.34Å; F508-N510 PolarHBondContact O-N 2.87Å; N510-Q513 WeakPolarHBondContact O-CB 3.45Å; N510-Q513 PolarHBondContact O-N 3.38Å; N510-N514 PolarHBondContact O-N 2.99Å
511	I	98.5	Very high	98.3	Very high	10 Å²	10	46.8 Å²	46.8	5%	0.051	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-46.7	174.9	-66.4	156.4	0	0	0	111.2	S382 Y414 Y507 F508 E509 Q513 N514 L515	S382-I511 WeakPolarHBondContact OG-CD1 3.35Å; Y414-I511 HydrophobicContact CE1-CG1 4.01Å; Y414-I511 HydrophobicContact CE2-CG1 4.29Å; Y414-I511 VanDerWaalsContact OH-CA 3.31Å; Y414-I511 WeakPolarHBondContact OH-CA 3.47Å; Y414-I511 WeakPolarHBondContact OH-CG1 3.4Å; Y507-I511 HydrophobicContact CD1-CD1 3.76Å; Y507-I511 HydrophobicContact CD2-CD1 4.16Å; Y507-I511 HydrophobicContact CD2-CG1 4.27Å; Y507-I511 HydrophobicContact CE1-CD1 3.31Å; Y507-I511 HydrophobicContact CE1-CG1 4.29Å; Y507-I511 HydrophobicContact CE2-CD1 3.73Å; Y507-I511 HydrophobicContact CE2-CG1 3.8Å; Y507-I511 HydrophobicContact CG-CD1 4.18Å; Y507-I511 WeakPolarHBondContact O-CG1 3.4Å; Y507-I511 PolarHBondContact O-N 2.88Å; F508-I511 WeakPolarHBondContact O-CB 3.49Å; F508-I511 PolarHBondContact O-N 3.23Å; E509-I511 VanDerWaalsContact C-N 3.31Å; E509-I511 PolarHBondContact O-N 3.34Å; I511-Q513 VanDerWaalsContact C-N 3.25Å; I511-Q513 PolarHBondContact O-N 2.73Å; I511-N514 WeakPolarHBondContact O-CB 3.49Å; I511-N514 PolarHBondContact O-N 2.9Å; I511-N514 VanDerWaalsContact O-N 3.14Å; I511-L515 HydrophobicContact CG2-CD1 4.46Å; I511-L515 WeakPolarHBondContact O-CG 3.26Å; I511-L515 PolarHBondContact O-N 3.36Å
512	I	98.6	Very high	98.3	Very high	20 Å²	20	44.6 Å²	44.6	10%	0.103	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-38.8	177.2	-63.2	-52.8	0	0	0	110.8	L160 Y195 F375 L379 F508 E509 N514 L515 V516	L160-I512 HydrophobicContact CD1-CD1 4.5Å; L160-I512 HydrophobicContact CD1-CG2 4.47Å; L160-I512 HydrophobicContact CD2-CD1 3.6Å; L160-I512 HydrophobicContact CD2-CG1 4.22Å; Y195-I512 HydrophobicContact CD1-CD1 4.49Å; Y195-I512 HydrophobicContact CD1-CG2 4.19Å; Y195-I512 HydrophobicContact CE1-CG2 3.77Å; F375-I512 HydrophobicContact CZ-CD1 4.44Å; L379-I512 HydrophobicContact CD2-CD1 4.15Å; F508-I512 HydrophobicContact CD1-CG1 4.04Å; F508-I512 HydrophobicContact CE1-CD1 4.2Å; F508-I512 HydrophobicContact CE1-CG1 3.78Å; F508-I512 HydrophobicContact CZ-CD1 4.35Å; F508-I512 HydrophobicContact CZ-CG1 4.41Å; F508-I512 WeakPolarHBondContact O-CG1 3.45Å; F508-I512 PolarHBondContact O-N 3.32Å; E509-I512 PolarHBondContact O-N 2.88Å; I512-N514 VanDerWaalsContact C-N 3.34Å; I512-N514 PolarHBondContact O-N 2.89Å; I512-L515 HydrophobicContact CD1-CD1 4.15Å; I512-L515 PolarHBondContact O-N 3.5Å; I512-V516 HydrophobicContact CG2-CG2 4.37Å; I512-V516 VanDerWaalsContact O-CG2 3.26Å; I512-V516 WeakPolarHBondContact O-CG2 3.2Å; I512-V516 PolarHBondContact O-N 2.79Å
513	Q	98.6	Very high	98.3	Very high	56 Å²	56	43.5 Å²	43.5	26%	0.262	21%	0.21	S	C	.	.	H	α-helix	trans	-61.6	-41.1	175.5	-164.1	-177	78.2	0	0	111.6	L500 N501 E509 N510 I511 V516 F517	L500-Q513 HydrophobicContact CD2-CG 3.97Å; N501-Q513 PolarHBondContact O-NE2 3.05Å; N501-Q513 PolarHBondContact O-OE1 3.26Å; E509-Q513 WeakPolarHBondContact O-CB 3.37Å; E509-Q513 PolarHBondContact O-N 2.92Å; N510-Q513 WeakPolarHBondContact O-CB 3.45Å; N510-Q513 PolarHBondContact O-N 3.38Å; I511-Q513 VanDerWaalsContact C-N 3.25Å; I511-Q513 PolarHBondContact O-N 2.73Å; Q513-V516 PolarHBondContact O-N 3.5Å; Q513-F517 VanDerWaalsContact O-CB 3.23Å; Q513-F517 WeakPolarHBondContact O-CB 3.36Å; Q513-F517 PolarHBondContact O-N 3.15Å
514	N	98.7	Very high	98.3	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-41.8	175	-72.9	-17.2	0	0	0	112.9	Y414 N418 Y502 N510 I511 I512 F517 S518	Y414-N514 PolarHBondContact OH-ND2 3.49Å; N418-N514 WeakPolarHBondContact OD1-CB 3.31Å; Y502-N514 WeakPolarHBondContact CE1-OD1 3.06Å; Y502-N514 PolarHBondContact OH-OD1 3.33Å; N510-N514 PolarHBondContact O-N 2.99Å; I511-N514 WeakPolarHBondContact O-CB 3.49Å; I511-N514 PolarHBondContact O-N 2.9Å; I511-N514 VanDerWaalsContact O-N 3.14Å; I512-N514 VanDerWaalsContact C-N 3.34Å; I512-N514 PolarHBondContact O-N 2.89Å; N514-F517 PolarHBondContact O-N 3.09Å; N514-S518 WeakPolarHBondContact O-CB 3.1Å; N514-S518 PolarHBondContact O-N 3.44Å; N514-S518 PolarHBondContact O-OG 2.98Å
515	L	98.3	Very high	98.3	Very high	48 Å²	48	39.8 Å²	39.8	25%	0.251	19%	0.192	S	C	.	.	H	α-helix	trans	-61.8	-44.8	175.7	-67.3	178.2	0	0	0	111.4	F375 I511 I512 S518 Q519	F375-L515 HydrophobicContact CE2-CD1 4.28Å; I511-L515 HydrophobicContact CG2-CD1 4.46Å; I511-L515 WeakPolarHBondContact O-CG 3.26Å; I511-L515 PolarHBondContact O-N 3.36Å; I512-L515 HydrophobicContact CD1-CD1 4.15Å; I512-L515 PolarHBondContact O-N 3.5Å; L515-S518 PolarHBondContact O-OG 3.44Å; L515-S518 VanDerWaalsContact O-OG 3.12Å; L515-Q519 VanDerWaalsContact O-CB 3.29Å; L515-Q519 WeakPolarHBondContact O-CB 3.24Å; L515-Q519 PolarHBondContact O-N 3.23Å; L515-Q519 VanDerWaalsContact O-N 3.17Å
516	V	98.4	Very high	98.3	Very high	50 Å²	50	35.9 Å²	35.9	30%	0.303	17%	0.171	S	C	.	.	H	α-helix	trans	-63.8	-46.7	176.9	174.1	0	0	0	0	111	R194 I512 Q513 K520	R194-V516 HydrophobicContact CG-CG2 3.94Å; R194-V516 VanDerWaalsContact O-CA 3.24Å; R194-V516 WeakPolarHBondContact O-CA 3.42Å; R194-V516 WeakPolarHBondContact O-CG2 3.09Å; I512-V516 HydrophobicContact CG2-CG2 4.37Å; I512-V516 VanDerWaalsContact O-CG2 3.26Å; I512-V516 WeakPolarHBondContact O-CG2 3.2Å; I512-V516 PolarHBondContact O-N 2.79Å; Q513-V516 PolarHBondContact O-N 3.5Å; V516-K520 WeakPolarHBondContact O-CB 3.18Å; V516-K520 PolarHBondContact O-N 3.25Å
517	F	98.4	Very high	98.3	Very high	34 Å²	34	39.6 Å²	39.6	15%	0.149	18%	0.184	C	C	.	.	H	α-helix	trans	-62.9	-51	-178.1	173.5	-100.8	0	0	0	112.2	E496 E499 L500 Q513 N514 Q519 K520 K521	E496-F517 WeakPolarHBondContact O-CZ 3.43Å; E499-F517 HydrophobicContact CB-CD2 4.1Å; E499-F517 HydrophobicContact CB-CE2 4.14Å; L500-F517 HydrophobicContact CD1-CD1 3.93Å; L500-F517 HydrophobicContact CD1-CE1 4.01Å; L500-F517 HydrophobicContact CD1-CG 4.21Å; L500-F517 HydrophobicContact CD1-CZ 4.36Å; L500-F517 HydrophobicContact CD2-CB 3.63Å; L500-F517 HydrophobicContact CD2-CD1 4.15Å; L500-F517 HydrophobicContact CD2-CD2 4.17Å; L500-F517 HydrophobicContact CD2-CG 3.72Å; L500-F517 HydrophobicContact CG-CB 4.48Å; L500-F517 HydrophobicContact CG-CD1 4.27Å; L500-F517 HydrophobicContact CG-CD2 4.16Å; L500-F517 HydrophobicContact CG-CE2 4.5Å; L500-F517 HydrophobicContact CG-CG 4.04Å; Q513-F517 VanDerWaalsContact O-CB 3.23Å; Q513-F517 WeakPolarHBondContact O-CB 3.36Å; Q513-F517 PolarHBondContact O-N 3.15Å; N514-F517 PolarHBondContact O-N 3.09Å; F517-Q519 PolarHBondContact O-N 3.12Å; F517-K520 PolarHBondContact O-N 3.46Å; F517-K521 HydrophobicContact CE1-CD 4.47Å; F517-K521 WeakPolarHBondContact O-CB 3.13Å; F517-K521 PolarHBondContact O-N 3.43Å
518	S	97.7	Very high	98.3	Very high	58 Å²	58	43.5 Å²	43.5	41%	0.406	20%	0.203	S	C	.	.	H	α-helix	trans	-61.6	-43	-179.3	57.9	0	0	0	0	111.9	N514 L515 K521 R522	N514-S518 WeakPolarHBondContact O-CB 3.1Å; N514-S518 PolarHBondContact O-N 3.44Å; N514-S518 PolarHBondContact O-OG 2.98Å; L515-S518 PolarHBondContact O-OG 3.44Å; L515-S518 VanDerWaalsContact O-OG 3.12Å; S518-K521 PolarHBondContact O-N 3.46Å; S518-R522 PolarHBondContact O-N 3.35Å
519	Q	98.1	Very high	98.2	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.019	24%	0.237	C	C	.	.	H	α-helix	trans	-66.2	-44.4	177.5	-178.6	62.6	7.4	0	0	111.9	N192 S193 L515 F517 K521 R522 L523	N192-Q519 VanDerWaalsContact O-CG 3.26Å; N192-Q519 WeakPolarHBondContact O-CG 3.12Å; N192-Q519 PolarHBondContact O-NE2 3.37Å; N192-Q519 PolarHBondContact OD1-NE2 3.07Å; S193-Q519 WeakPolarHBondContact O-CG 3.39Å; L515-Q519 VanDerWaalsContact O-CB 3.29Å; L515-Q519 WeakPolarHBondContact O-CB 3.24Å; L515-Q519 PolarHBondContact O-N 3.23Å; L515-Q519 VanDerWaalsContact O-N 3.17Å; F517-Q519 PolarHBondContact O-N 3.12Å; Q519-K521 PolarHBondContact O-N 3.31Å; Q519-R522 PolarHBondContact O-N 3.41Å; Q519-R522 VanDerWaalsContact OE1-CZ 3.27Å; Q519-R522 VanDerWaalsContact OE1-NE 3.16Å; Q519-L523 HydrophobicContact CG-CD1 4.12Å; Q519-L523 HydrophobicContact CG-CG 4.38Å; Q519-L523 WeakPolarHBondContact O-CG 3.15Å; Q519-L523 PolarHBondContact O-N 3.36Å
520	K	98	Very high	98.1	Very high	67 Å²	67	49.5 Å²	49.5	29%	0.291	23%	0.229	S	C	.	.	H	α-helix	trans	-60.8	-44.3	176.3	-171.8	-172.6	-179.9	-167.8	0	111.6	V334 E499 V516 F517 R522 L523 K524	V334-K520 HydrophobicContact CG1-CG 3.84Å; E499-K520 IonicContact OE1-NZ 3.5Å; E499-K520 IonicContact OE2-NZ 2.68Å; E499-K520 PolarHBondContact OE2-NZ 2.77Å; V516-K520 WeakPolarHBondContact O-CB 3.18Å; V516-K520 PolarHBondContact O-N 3.25Å; F517-K520 PolarHBondContact O-N 3.46Å; K520-R522 VanDerWaalsContact C-N 3.31Å; K520-R522 PolarHBondContact O-N 2.94Å; K520-L523 PolarHBondContact O-N 3.45Å; K520-K524 HydrophobicContact CG-CD 4.49Å; K520-K524 WeakPolarHBondContact O-CG 3.26Å; K520-K524 PolarHBondContact O-N 2.84Å; K520-K524 VanDerWaalsContact O-N 3.07Å
521	K	96.9	Very high	97.9	Very high	80 Å²	80	53.7 Å²	53.7	35%	0.348	25%	0.251	S	S	.	.	H	α-helix	trans	-56.5	-46.6	175	-172.1	178.1	-179.1	-177.5	0	110.2	E496 F517 S518 Q519	E496-K521 IonicContact OE1-NZ 3.91Å; E496-K521 PolarHBondContact OE1-NZ 3.02Å; E496-K521 VanDerWaalsContact OE1-NZ 3.09Å; F517-K521 HydrophobicContact CE1-CD 4.47Å; F517-K521 WeakPolarHBondContact O-CB 3.13Å; F517-K521 PolarHBondContact O-N 3.43Å; S518-K521 PolarHBondContact O-N 3.46Å; Q519-K521 PolarHBondContact O-N 3.31Å
522	R	97.8	Very high	97.5	Very high	61 Å²	61	54.6 Å²	54.6	23%	0.23	26%	0.255	C	S	.	.	H	α-helix	trans	-65.1	-44.8	178.9	-174.2	170.8	65.9	139.9	18.7	113.6	K198 V205 S518 Q519 K520 K525	K198-R522 VanDerWaalsContact CE-NH1 3.25Å; V205-R522 WeakPolarHBondContact O-CG 3.49Å; S518-R522 PolarHBondContact O-N 3.35Å; Q519-R522 PolarHBondContact O-N 3.41Å; Q519-R522 VanDerWaalsContact OE1-CZ 3.27Å; Q519-R522 VanDerWaalsContact OE1-NE 3.16Å; K520-R522 VanDerWaalsContact C-N 3.31Å; K520-R522 PolarHBondContact O-N 2.94Å; R522-K525 WeakPolarHBondContact O-CB 3.29Å; R522-K525 PolarHBondContact O-N 3.07Å
523	L	98.7	Very high	97.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-68.2	-36	-178.1	-67.1	178.5	0	0	0	112.7	F203 V205 I330 M331 V334 Q519 K520 K525 L526	F203-L523 HydrophobicContact CE1-CD2 3.85Å; V205-L523 HydrophobicContact CG2-CD2 3.99Å; I330-L523 HydrophobicContact CG2-CD1 3.72Å; I330-L523 HydrophobicContact CG2-CD2 3.86Å; I330-L523 HydrophobicContact CG2-CG 4.46Å; M331-L523 HydrophobicContact CE-CB 4.39Å; M331-L523 WeakPolarHBondContact CE-O 3.45Å; M331-L523 HydrophobicContact SD-CD2 3.91Å; V334-L523 HydrophobicContact CB-CB 4.48Å; V334-L523 HydrophobicContact CG1-CB 3.84Å; V334-L523 HydrophobicContact CG2-CB 3.85Å; Q519-L523 HydrophobicContact CG-CD1 4.12Å; Q519-L523 HydrophobicContact CG-CG 4.38Å; Q519-L523 WeakPolarHBondContact O-CG 3.15Å; Q519-L523 PolarHBondContact O-N 3.36Å; K520-L523 PolarHBondContact O-N 3.45Å; L523-K525 PolarHBondContact O-N 3.01Å; L523-L526 PolarHBondContact O-N 3.1Å
524	K	98.1	Very high	96.9	Very high	74 Å²	74	58.9 Å²	58.9	32%	0.322	27%	0.274	S	S	.	.	H	α-helix	trans	-59.2	-30.2	175.8	-78.4	177	173.3	-178.2	0	112.7	V334 E499 K520 L526	V334-K524 HydrophobicContact CB-CG 3.98Å; V334-K524 HydrophobicContact CG1-CG 3.88Å; E499-K524 IonicContact OE1-NZ 3.43Å; K520-K524 HydrophobicContact CG-CD 4.49Å; K520-K524 WeakPolarHBondContact O-CG 3.26Å; K520-K524 PolarHBondContact O-N 2.84Å; K520-K524 VanDerWaalsContact O-N 3.07Å; K524-L526 PolarHBondContact O-N 3.11Å
525	K	98.2	Very high	96.7	Very high	42 Å²	42	60.5 Å²	60.5	18%	0.183	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-60.6	-16.6	-179.2	-70.1	-167.7	175.7	-169.2	0	113.8	V205 H215 R522 L523 R527 E528 E534	V205-K525 HydrophobicContact CG1-CB 4.47Å; H215-K525 WeakPolarHBondContact CB-O 3.15Å; H215-K525 VanDerWaalsContact CG-O 3.28Å; H215-K525 PolarHBondContact ND1-O 3.18Å; R522-K525 WeakPolarHBondContact O-CB 3.29Å; R522-K525 PolarHBondContact O-N 3.07Å; L523-K525 PolarHBondContact O-N 3.01Å; K525-R527 PolarHBondContact O-N 3.18Å; K525-E528 PolarHBondContact O-N 3.26Å; K525-E534 IonicContact NZ-OE1 3.11Å; K525-E534 PolarHBondContact NZ-OE1 2.98Å; K525-E534 IonicContact NZ-OE2 3.28Å; K525-E534 PolarHBondContact NZ-OE2 3.35Å
526	L	98.6	Very high	96.5	Very high	5 Å²	5	61 Å²	61	3%	0.026	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-54.3	-34.4	-173.9	179.9	59.9	0	0	0	114.1	V205 I217 M331 I336 L523 K524	V205-L526 HydrophobicContact CG1-CB 3.86Å; V205-L526 HydrophobicContact CG1-CD1 4.24Å; V205-L526 HydrophobicContact CG2-CB 4.06Å; V205-L526 HydrophobicContact CG2-CD1 4.38Å; I217-L526 HydrophobicContact CD1-CD2 3.93Å; I217-L526 HydrophobicContact CG1-CD1 3.85Å; I217-L526 HydrophobicContact CG1-CD2 3.99Å; M331-L526 HydrophobicContact CE-CB 3.91Å; M331-L526 HydrophobicContact CE-CD2 3.43Å; M331-L526 VanDerWaalsContact CE-CD2 3.43Å; M331-L526 HydrophobicContact CE-CG 4.3Å; M331-L526 HydrophobicContact SD-CD2 4.31Å; I336-L526 HydrophobicContact CD1-CB 4.28Å; I336-L526 HydrophobicContact CG2-CD2 4.26Å; L523-L526 PolarHBondContact O-N 3.1Å; K524-L526 PolarHBondContact O-N 3.11Å
527	R	97.7	Very high	96.5	Very high	127 Å²	127	59.2 Å²	59.2	48%	0.479	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-107.8	4.1	178.5	-54.6	-55.7	-178.5	-144.5	3.9	113.1	I336 E342 K525	I336-R527 HydrophobicContact CD1-CG 4.18Å; E342-R527 VanDerWaalsContact CD-NH2 3.26Å; E342-R527 IonicContact OE1-CZ 3.69Å; E342-R527 IonicContact OE1-NH1 3.69Å; E342-R527 PolarHBondContact OE1-NH1 2.82Å; E342-R527 IonicContact OE1-NH2 3.56Å; E342-R527 PolarHBondContact OE1-NH2 3.05Å; E342-R527 IonicContact OE2-CZ 3.93Å; E342-R527 IonicContact OE2-NH1 3.77Å; E342-R527 IonicContact OE2-NH2 2.9Å; E342-R527 PolarHBondContact OE2-NH2 3.2Å; K525-R527 PolarHBondContact O-N 3.18Å
528	E	97.8	Very high	96.4	Very high	105 Å²	105	57.7 Å²	57.7	49%	0.491	27%	0.266	S	S	.	.	S	Bend	trans	-94.1	152.2	176.5	-61	178.8	176.8	0	0	110	H215 K525	H215-E528 PolarHBondContact ND1-O 2.8Å; K525-E528 PolarHBondContact O-N 3.26Å
529	K	97.9	Very high	96.4	Very high	177 Å²	177	55 Å²	55	77%	0.77	25%	0.247	S	C	*	.	B	Isolated β-bridge	trans	-75	151.9	170.9	-68.9	-172	177	-175.3	0	110.2	T213 D531	T213-K529 WeakPolarHBondContact O-CA 3.19Å; K529-D531 PolarHBondContact O-N 3.11Å
530	V	97.5	Very high	96.4	Very high	15 Å²	15	54.8 Å²	54.8	9%	0.091	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-68.5	122.7	170.3	178.6	0	0	0	0	108.9	T207 S212 T213 K532	T207-V530 HydrophobicContact CG2-CG2 3.98Å; S212-V530 WeakPolarHBondContact O-CB 3.36Å; S212-V530 WeakPolarHBondContact O-CG2 3.35Å; T213-V530 PolarHBondContact O-N 3.24Å; V530-K532 HydrophobicContact CG1-CG 4.36Å; V530-K532 PolarHBondContact O-N 3.26Å
531	D	94.4	Very high	96.5	Very high	91 Å²	91	53.4 Å²	53.4	49%	0.487	24%	0.243	S	C	.	.			trans	-81.7	102.9	167.9	178.3	3.2	0	0	0	109	K529 E533 E534 R550	K529-D531 PolarHBondContact O-N 3.11Å; D531-E533 PolarHBondContact O-N 3.44Å; D531-E533 WeakPolarHBondContact OD1-CB 3.35Å; D531-E533 PolarHBondContact OD1-N 3.08Å; D531-E534 HydrophobicContact CB-CB 4.34Å; D531-E534 WeakPolarHBondContact O-CB 3.46Å; D531-E534 PolarHBondContact O-N 3.2Å; D531-R550 PolarHBondContact O-NH1 3.28Å
532	K	90.1	Very high	96.5	Very high	30 Å²	30	49.8 Å²	49.8	13%	0.13	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-8.4	-179.9	-65.4	-168.3	176.8	-175.5	0	113.7	S212 V530 Q552 N600	S212-K532 WeakPolarHBondContact O-CE 3.39Å; S212-K532 PolarHBondContact OG-NZ 3.04Å; V530-K532 HydrophobicContact CG1-CG 4.36Å; V530-K532 PolarHBondContact O-N 3.26Å; K532-Q552 PolarHBondContact O-NE2 3.25Å; K532-N600 PolarHBondContact NZ-O 3.38Å
533	E	90.3	Very high	96.5	Very high	105 Å²	105	49.4 Å²	49.4	49%	0.491	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-21.6	173.9	-58.3	-57	114.6	0	0	113	R479 D531 W535	R479-E533 IonicContact CZ-OE2 3.32Å; R479-E533 VanDerWaalsContact CZ-OE2 3.24Å; R479-E533 IonicContact NH1-OE2 2.88Å; R479-E533 PolarHBondContact NH1-OE2 2.98Å; R479-E533 IonicContact NH2-OE1 3.16Å; R479-E533 PolarHBondContact NH2-OE1 2.95Å; R479-E533 IonicContact NH2-OE2 3.44Å; R479-E533 PolarHBondContact NH2-OE2 2.81Å; D531-E533 PolarHBondContact O-N 3.44Å; D531-E533 WeakPolarHBondContact OD1-CB 3.35Å; D531-E533 PolarHBondContact OD1-N 3.08Å; E533-W535 PolarHBondContact O-N 2.74Å
534	E	92.8	Very high	96.4	Very high	60 Å²	60	49.6 Å²	49.6	28%	0.28	23%	0.232	S	C	.	.	S	Bend	trans	-55.1	128	174	-174.3	-176.1	-156.6	0	0	110.4	K525 D531 R550 Q552	K525-E534 IonicContact NZ-OE1 3.11Å; K525-E534 PolarHBondContact NZ-OE1 2.98Å; K525-E534 IonicContact NZ-OE2 3.28Å; K525-E534 PolarHBondContact NZ-OE2 3.35Å; D531-E534 HydrophobicContact CB-CB 4.34Å; D531-E534 WeakPolarHBondContact O-CB 3.46Å; D531-E534 PolarHBondContact O-N 3.2Å; E534-R550 PolarHBondContact O-NH1 2.9Å; E534-R550 IonicContact OE2-CZ 2.8Å; E534-R550 IonicContact OE2-NH2 2.83Å; E534-R550 PolarHBondContact OE2-NH2 2.91Å; E534-Q552 PolarHBondContact O-OE1 3.15Å
535	W	96	Very high	96.5	Very high	37 Å²	37	49 Å²	49	14%	0.14	23%	0.23	C	C	.	.			trans	-72.6	142.7	175.6	-74.6	48.9	0	0	0	109.8	R479 Y482 P483 E533 S537 V554	R479-W535 HydrophobicContact CB-CD2 3.86Å; R479-W535 HydrophobicContact CB-CE3 4.01Å; R479-W535 HydrophobicContact CB-CH2 3.72Å; R479-W535 HydrophobicContact CB-CZ2 3.59Å; R479-W535 HydrophobicContact CB-CZ3 3.94Å; R479-W535 HydrophobicContact CG-CD2 4.13Å; R479-W535 HydrophobicContact CG-CG 4.37Å; R479-W535 HydrophobicContact CG-CZ2 4.26Å; Y482-W535 WeakPolarHBondContact O-CZ2 3.4Å; P483-W535 HydrophobicContact CB-CZ2 4.47Å; P483-W535 HydrophobicContact CG-CD2 4.08Å; P483-W535 HydrophobicContact CG-CG 4.13Å; E533-W535 PolarHBondContact O-N 2.74Å; W535-S537 VanDerWaalsContact C-N 3.3Å; W535-V554 HydrophobicContact CD2-CG1 4.45Å; W535-V554 HydrophobicContact CE3-CG1 3.54Å; W535-V554 HydrophobicContact CZ3-CG1 3.74Å
536	I	93.9	Very high	96.5	Very high	60 Å²	60	48.8 Å²	48.8	31%	0.308	23%	0.228	S	C	.	.	S	Bend	trans	-85.8	-2.3	176.8	61.4	177.9	0	0	0	113.4	F545 V554	I536-F545 HydrophobicContact CD1-CB 3.61Å; I536-F545 HydrophobicContact CG1-CB 4.25Å; I536-V554 HydrophobicContact CD1-CG2 3.95Å; I536-V554 HydrophobicContact CG1-CB 4.26Å; I536-V554 HydrophobicContact CG1-CG2 3.56Å
537	S	97.1	Very high	96.5	Very high	12 Å²	12	49.5 Å²	49.5	8%	0.084	23%	0.234	C	C	.	.	S	Bend	trans	-155.5	145.8	-179	-167.8	0	0	0	0	111.2	W535 F545	W535-S537 VanDerWaalsContact C-N 3.3Å; S537-F545 WeakPolarHBondContact OG-CE2 3.16Å
538	G	97.2	Very high	96.5	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.01	22%	0.217	C	C	.	.			trans	-70.9	167.5	171.3	0	0	0	0	0	114	V541 P556	G538-V541 WeakPolarHBondContact O-CG2 3.12Å; G538-P556 WeakPolarHBondContact O-CB 3.45Å
539	A	97.9	Very high	96.4	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.008	20%	0.2	C	C	.	.	S	Bend	trans	-73.6	-33.3	-174.9	0	0	0	0	0	114.4	V428 G481 V541 P556 A557 G558	V428-A539 HydrophobicContact CG1-CB 3.84Å; G481-A539 WeakPolarHBondContact O-CB 3.45Å; A539-V541 PolarHBondContact O-N 2.75Å; A539-P556 WeakPolarHBondContact O-CB 3.41Å; A539-A557 HydrophobicContact CB-CB 4.45Å; A539-A557 PolarHBondContact O-N 3.19Å; A539-G558 PolarHBondContact O-N 3.41Å
540	A	98.3	Very high	96.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.008	17%	0.167	C	C	.	.	S	Bend	trans	-85.9	57.7	-177	0	0	0	0	0	111.8	L118 N416 Y427	L118-A540 HydrophobicContact CD2-CB 4.09Å; N416-A540 PolarHBondContact ND2-O 3.17Å; Y427-A540 HydrophobicContact CD1-CB 3.96Å; Y427-A540 HydrophobicContact CD2-CB 4.21Å; Y427-A540 HydrophobicContact CG-CB 3.68Å
541	V	98.4	Very high	96.4	Very high	37 Å²	37	31.9 Å²	31.9	22%	0.224	16%	0.162	C	C	.	.			trans	-135.5	127.9	-176	177.7	0	0	0	0	109.9	G538 A539 N543 F545 P556 G558 I559	G538-V541 WeakPolarHBondContact O-CG2 3.12Å; A539-V541 PolarHBondContact O-N 2.75Å; V541-N543 HydrophobicContact CG1-CB 3.83Å; V541-N543 PolarHBondContact O-N 3.3Å; V541-F545 HydrophobicContact CG1-CE2 4.01Å; V541-F545 HydrophobicContact CG1-CZ 4.07Å; V541-P556 HydrophobicContact CB-CB 4.08Å; V541-P556 HydrophobicContact CB-CG 4.09Å; V541-P556 WeakPolarHBondContact O-CB 3.3Å; V541-G558 CarbonylContact O-C 3.52Å; V541-G558 VanDerWaalsContact O-CA 3.26Å; V541-G558 WeakPolarHBondContact O-CA 3.21Å; V541-I559 PolarHBondContact O-N 2.93Å
542	V	98.2	Very high	96.6	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.03	14%	0.139	C	C	.	.	S	Bend	trans	-91	79.2	170.5	-168.6	0	0	0	0	108.9	F107 L110 R111 L114	F107-V542 HydrophobicContact CD1-CG1 4.35Å; L110-V542 HydrophobicContact CB-CG1 3.95Å; L110-V542 HydrophobicContact CB-CG2 4.25Å; L110-V542 HydrophobicContact CD1-CG1 4.32Å; R111-V542 HydrophobicContact CG-CB 3.82Å; R111-V542 HydrophobicContact CG-CG2 3.97Å; R111-V542 PolarHBondContact NE-O 3.35Å; R111-V542 PolarHBondContact NH2-O 3.2Å; L114-V542 HydrophobicContact CB-CG2 4.26Å; L114-V542 HydrophobicContact CD1-CG2 3.81Å
543	N	97.3	Very high	97	Very high	52 Å²	52	26.1 Å²	26.1	28%	0.278	13%	0.133	S	C	.	.			trans	-165.5	177.9	174	-151	8.7	0	0	0	110.7	V541 F545 P556 I559	V541-N543 HydrophobicContact CG1-CB 3.83Å; V541-N543 PolarHBondContact O-N 3.3Å; N543-F545 HydrophobicContact CB-CE1 4.35Å; N543-F545 HydrophobicContact CB-CE2 3.82Å; N543-F545 HydrophobicContact CB-CZ 3.63Å; N543-F545 WeakPolarHBondContact ND2-CE1 3.47Å; N543-F545 WeakPolarHBondContact ND2-CZ 3.42Å; N543-P556 VanDerWaalsContact O-CD 3.27Å; N543-P556 WeakPolarHBondContact O-CD 3.36Å; N543-I559 WeakPolarHBondContact O-CB 3.43Å; N543-I559 WeakPolarHBondContact O-CG2 3.38Å
544	A	97.8	Very high	97.4	Very high	5 Å²	5	21.1 Å²	21.1	4%	0.041	11%	0.11	C	C	.	.			trans	-134.5	164.5	163.9	0	0	0	0	0	109.7	V554 F555 I559 V581 E585	A544-V554 WeakPolarHBondContact CA-O 3.4Å; A544-F555 HydrophobicContact CB-CD1 3.74Å; A544-F555 HydrophobicContact CB-CE1 3.97Å; A544-I559 HydrophobicContact CB-CD1 4.39Å; A544-V581 HydrophobicContact CB-CG1 3.53Å; A544-E585 HydrophobicContact CB-CG 3.77Å; A544-E585 WeakPolarHBondContact CB-OE1 3.18Å
545	F	98.3	Very high	97.7	Very high	61 Å²	61	18.3 Å²	18.3	27%	0.268	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	146.9	-172.8	-52.3	-87.5	0	0	0	113.4	I536 S537 V541 N543 I553 V554 P556 E585	I536-F545 HydrophobicContact CD1-CB 3.61Å; I536-F545 HydrophobicContact CG1-CB 4.25Å; S537-F545 WeakPolarHBondContact OG-CE2 3.16Å; V541-F545 HydrophobicContact CG1-CE2 4.01Å; V541-F545 HydrophobicContact CG1-CZ 4.07Å; N543-F545 HydrophobicContact CB-CE1 4.35Å; N543-F545 HydrophobicContact CB-CE2 3.82Å; N543-F545 HydrophobicContact CB-CZ 3.63Å; N543-F545 WeakPolarHBondContact ND2-CE1 3.47Å; N543-F545 WeakPolarHBondContact ND2-CZ 3.42Å; F545-I553 CarbonylContact O-C 3.27Å; F545-I553 WeakPolarHBondContact O-CA 3.44Å; F545-V554 PolarHBondContact N-O 3.17Å; F545-V554 VanDerWaalsContact N-O 3.11Å; F545-V554 PolarHBondContact O-N 2.95Å; F545-P556 HydrophobicContact CE2-CG 4.27Å; F545-E585 VanDerWaalsContact CA-OE2 3.24Å; F545-E585 WeakPolarHBondContact CA-OE2 3.39Å; F545-E585 PolarHBondContact N-OE2 2.71Å
546	Y	98.7	Very high	97.8	Very high	37 Å²	37	16.5 Å²	16.5	15%	0.145	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141	164.1	172.8	-100.6	0	0	0	111.1	A548 N551 Q552 I553 E585 H588 G589	Y546-A548 VanDerWaalsContact CE1-CA 3.46Å; Y546-A548 HydrophobicContact CE1-CB 3.87Å; Y546-N551 PolarHBondContact OH-OD1 2.93Å; Y546-Q552 CarbonylContact C-O 3.4Å; Y546-Q552 WeakPolarHBondContact CA-O 3.29Å; Y546-I553 HydrophobicContact CD2-CG2 3.83Å; Y546-E585 PolarHBondContact N-OE2 3.11Å; Y546-H588 HydrophobicContact CD1-CB 3.58Å; Y546-H588 HydrophobicContact CE1-CB 4.4Å; Y546-H588 WeakPolarHBondContact CE1-O 3.48Å; Y546-H588 HydrophobicContact CG-CB 3.71Å; Y546-G589 WeakPolarHBondContact OH-CA 3.28Å
547	S	98.3	Very high	98	Very high	20 Å²	20	13.8 Å²	13.8	14%	0.14	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	115.1	171.1	173	0	0	0	0	110.8	S549 R550 N551 Q552	S547-S549 PolarHBondContact O-N 3.23Å; S547-S549 PolarHBondContact OG-OG 3.08Å; S547-R550 PolarHBondContact O-N 3.43Å; S547-N551 WeakPolarHBondContact O-CA 3.43Å; S547-N551 PolarHBondContact O-N 3.36Å; S547-Q552 PolarHBondContact N-O 3.06Å; S547-Q552 PolarHBondContact O-N 2.66Å
548	A	97.5	Very high	98	Very high	15 Å²	15	13.2 Å²	13.2	12%	0.124	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-60	-47.6	179.4	0	0	0	0	0	112.7	Y546 R550 N551 F597 G601	Y546-A548 VanDerWaalsContact CE1-CA 3.46Å; Y546-A548 HydrophobicContact CE1-CB 3.87Å; A548-R550 PolarHBondContact O-N 2.94Å; A548-N551 PolarHBondContact O-N 3.34Å; A548-F597 HydrophobicContact CB-CB 4.39Å; A548-F597 HydrophobicContact CB-CD1 4.2Å; A548-F597 HydrophobicContact CB-CD2 3.63Å; A548-F597 HydrophobicContact CB-CE1 4.38Å; A548-F597 HydrophobicContact CB-CE2 3.85Å; A548-F597 HydrophobicContact CB-CG 3.81Å; A548-F597 HydrophobicContact CB-CZ 4.22Å; A548-G601 WeakPolarHBondContact O-CA 3.18Å
549	S	96.1	Very high	98	Very high	20 Å²	20	13.2 Å²	13.2	14%	0.14	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-66.8	-19.1	-178.9	66	0	0	0	0	114.2	S212 S547 G601	S212-S549 VanDerWaalsContact CB-O 3.31Å; S212-S549 WeakPolarHBondContact CB-O 3.46Å; S547-S549 PolarHBondContact O-N 3.23Å; S547-S549 PolarHBondContact OG-OG 3.08Å; S549-G601 WeakPolarHBondContact CA-O 3.42Å
550	R	97.8	Very high	98	Very high	20 Å²	20	13.6 Å²	13.6	8%	0.075	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-105.8	-9.8	178.5	-67.1	168.3	175.9	-90.4	-5.9	112.6	R477 D531 E534 S547 A548 Q552	R477-R550 PolarHBondContact NH1-O 2.91Å; D531-R550 PolarHBondContact O-NH1 3.28Å; E534-R550 PolarHBondContact O-NH1 2.9Å; E534-R550 IonicContact OE2-CZ 2.8Å; E534-R550 IonicContact OE2-NH2 2.83Å; E534-R550 PolarHBondContact OE2-NH2 2.91Å; S547-R550 PolarHBondContact O-N 3.43Å; A548-R550 PolarHBondContact O-N 2.94Å; R550-Q552 HydrophobicContact CB-CB 3.8Å; R550-Q552 PolarHBondContact O-N 3.42Å
551	N	98.4	Very high	97.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.3	54.9	-165.9	-166.2	26.5	0	0	0	110.7	K472 I476 R477 Y546 S547 A548 E599	K472-N551 PolarHBondContact O-ND2 3.05Å; I476-N551 WeakPolarHBondContact CA-O 2.91Å; I476-N551 WeakPolarHBondContact CG1-OD1 3.38Å; R477-N551 PolarHBondContact N-O 3.14Å; Y546-N551 PolarHBondContact OH-OD1 2.93Å; S547-N551 WeakPolarHBondContact O-CA 3.43Å; S547-N551 PolarHBondContact O-N 3.36Å; A548-N551 PolarHBondContact O-N 3.34Å; N551-E599 PolarHBondContact ND2-O 3.25Å
552	Q	98.5	Very high	97.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.6	-168.9	-178.5	-178.5	83.2	0	0	111.2	R477 R479 K532 E534 Y546 S547 R550 V554	R477-Q552 HydrophobicContact CB-CB 4.21Å; R477-Q552 HydrophobicContact CB-CG 4.18Å; R477-Q552 CarbonylContact O-C 3.49Å; R477-Q552 VanDerWaalsContact O-CA 3.24Å; R477-Q552 WeakPolarHBondContact O-CA 3.3Å; R477-Q552 WeakPolarHBondContact O-CG 3.42Å; R479-Q552 HydrophobicContact CG-CG 3.97Å; K532-Q552 PolarHBondContact O-NE2 3.25Å; E534-Q552 PolarHBondContact O-OE1 3.15Å; Y546-Q552 CarbonylContact C-O 3.4Å; Y546-Q552 WeakPolarHBondContact CA-O 3.29Å; S547-Q552 PolarHBondContact N-O 3.06Å; S547-Q552 PolarHBondContact O-N 2.66Å; R550-Q552 HydrophobicContact CB-CB 3.8Å; R550-Q552 PolarHBondContact O-N 3.42Å; Q552-V554 HydrophobicContact CG-CG2 4.03Å
553	I	98.6	Very high	97.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137.8	170.6	61.3	-177.5	0	0	0	110.2	I444 I476 R477 E478 R479 F545 Y546 F555 E585 I586	I444-I553 HydrophobicContact CG2-CD1 4.13Å; I476-I553 HydrophobicContact CG2-CB 4.34Å; I476-I553 HydrophobicContact CG2-CD1 3.82Å; I476-I553 HydrophobicContact CG2-CG1 3.77Å; I476-I553 HydrophobicContact CG2-CG2 3.85Å; R477-I553 PolarHBondContact O-N 2.91Å; E478-I553 HydrophobicContact CB-CD1 4.33Å; E478-I553 HydrophobicContact CB-CG1 4.09Å; R479-I553 PolarHBondContact N-O 3.36Å; F545-I553 CarbonylContact O-C 3.27Å; F545-I553 WeakPolarHBondContact O-CA 3.44Å; Y546-I553 HydrophobicContact CD2-CG2 3.83Å; I553-F555 HydrophobicContact CB-CE2 4.09Å; I553-F555 HydrophobicContact CB-CZ 4.26Å; I553-F555 HydrophobicContact CD1-CE2 3.72Å; I553-F555 HydrophobicContact CD1-CZ 4.1Å; I553-F555 HydrophobicContact CG1-CE2 3.84Å; I553-F555 HydrophobicContact CG1-CZ 4.38Å; I553-E585 HydrophobicContact CB-CB 4.11Å; I553-E585 HydrophobicContact CG2-CB 3.73Å; I553-E585 WeakPolarHBondContact CG2-O 3.33Å; I553-I586 HydrophobicContact CD1-CG1 4Å
554	V	98.6	Very high	97.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.1	-177.6	-173.8	0	0	0	0	111.2	R479 W535 I536 A544 F545 Q552 P556	R479-V554 HydrophobicContact CB-CB 4.21Å; R479-V554 HydrophobicContact CB-CG1 3.99Å; R479-V554 HydrophobicContact CB-CG2 3.84Å; R479-V554 HydrophobicContact CG-CG2 4.01Å; R479-V554 WeakPolarHBondContact O-CA 3.36Å; W535-V554 HydrophobicContact CD2-CG1 4.45Å; W535-V554 HydrophobicContact CE3-CG1 3.54Å; W535-V554 HydrophobicContact CZ3-CG1 3.74Å; I536-V554 HydrophobicContact CD1-CG2 3.95Å; I536-V554 HydrophobicContact CG1-CB 4.26Å; I536-V554 HydrophobicContact CG1-CG2 3.56Å; A544-V554 WeakPolarHBondContact CA-O 3.4Å; F545-V554 PolarHBondContact N-O 3.17Å; F545-V554 VanDerWaalsContact N-O 3.11Å; F545-V554 PolarHBondContact O-N 2.95Å; Q552-V554 HydrophobicContact CG-CG2 4.03Å; V554-P556 HydrophobicContact CG1-CG 4.32Å; V554-P556 WeakPolarHBondContact O-CD 3.34Å
555	F	98.3	Very high	97.8	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	88.4	174	-52.2	-80.5	0	0	0	109.3	I444 R479 G481 A544 I553 I559 L560 I578 V581 I582 E585	I444-F555 HydrophobicContact CD1-CD2 3.78Å; I444-F555 HydrophobicContact CD1-CE2 3.69Å; I444-F555 HydrophobicContact CG1-CE2 4.11Å; R479-F555 PolarHBondContact O-N 3.46Å; G481-F555 PolarHBondContact N-O 3.28Å; A544-F555 HydrophobicContact CB-CD1 3.74Å; A544-F555 HydrophobicContact CB-CE1 3.97Å; I553-F555 HydrophobicContact CB-CE2 4.09Å; I553-F555 HydrophobicContact CB-CZ 4.26Å; I553-F555 HydrophobicContact CD1-CE2 3.72Å; I553-F555 HydrophobicContact CD1-CZ 4.1Å; I553-F555 HydrophobicContact CG1-CE2 3.84Å; I553-F555 HydrophobicContact CG1-CZ 4.38Å; F555-I559 HydrophobicContact CB-CG2 4.44Å; F555-L560 HydrophobicContact CB-CD2 4.24Å; F555-I578 HydrophobicContact CD1-CD1 4.4Å; F555-V581 HydrophobicContact CD1-CG1 4.34Å; F555-V581 HydrophobicContact CE1-CG1 4.13Å; F555-I582 HydrophobicContact CD1-CG1 4.3Å; F555-I582 HydrophobicContact CE1-CB 4.28Å; F555-I582 HydrophobicContact CE1-CG1 3.72Å; F555-I582 HydrophobicContact CE2-CG1 4.1Å; F555-I582 HydrophobicContact CZ-CB 4.02Å; F555-I582 HydrophobicContact CZ-CG1 3.62Å; F555-I582 HydrophobicContact CZ-CG2 4.31Å; F555-E585 HydrophobicContact CE1-CB 4.25Å; F555-E585 HydrophobicContact CE1-CG 3.71Å; F555-E585 HydrophobicContact CZ-CB 4.02Å; F555-E585 HydrophobicContact CZ-CG 3.99Å
556	P	98.3	Very high	97.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	151.8	175.7	-25.7	35.1	0	0	0	113	G538 A539 V541 N543 F545 V554 G558 I559	G538-P556 WeakPolarHBondContact O-CB 3.45Å; A539-P556 WeakPolarHBondContact O-CB 3.41Å; V541-P556 HydrophobicContact CB-CB 4.08Å; V541-P556 HydrophobicContact CB-CG 4.09Å; V541-P556 WeakPolarHBondContact O-CB 3.3Å; N543-P556 VanDerWaalsContact O-CD 3.27Å; N543-P556 WeakPolarHBondContact O-CD 3.36Å; F545-P556 HydrophobicContact CE2-CG 4.27Å; V554-P556 HydrophobicContact CG1-CG 4.32Å; V554-P556 WeakPolarHBondContact O-CD 3.34Å; P556-G558 PolarHBondContact O-N 3.45Å; P556-I559 WeakPolarHBondContact O-CG2 3.33Å; P556-I559 PolarHBondContact O-N 2.74Å; P556-I559 VanDerWaalsContact O-N 3.1Å
557	A	97.9	Very high	97.3	Very high	2 Å²	2	13.4 Å²	13.4	2%	0.017	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-53.5	-31.3	177.5	0	0	0	0	0	113.1	Y427 V428 F432 G481 A539 I559 L560	Y427-A557 HydrophobicContact CD1-CB 4.33Å; Y427-A557 HydrophobicContact CE1-CB 3.94Å; V428-A557 HydrophobicContact CG1-CB 3.8Å; F432-A557 HydrophobicContact CB-CB 4.12Å; F432-A557 HydrophobicContact CD1-CB 4.38Å; F432-A557 HydrophobicContact CD2-CB 3.59Å; F432-A557 HydrophobicContact CE2-CB 4.07Å; F432-A557 HydrophobicContact CG-CB 3.76Å; G481-A557 PolarHBondContact O-N 2.68Å; A539-A557 HydrophobicContact CB-CB 4.45Å; A539-A557 PolarHBondContact O-N 3.19Å; A557-I559 VanDerWaalsContact C-N 3.32Å; A557-I559 PolarHBondContact O-N 3.08Å; A557-L560 PolarHBondContact O-N 3.12Å
558	G	97.6	Very high	96.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-62.9	-24.6	178.4	0	0	0	0	0	116.1	A539 V541 P556 Q561	A539-G558 PolarHBondContact O-N 3.41Å; V541-G558 CarbonylContact O-C 3.52Å; V541-G558 VanDerWaalsContact O-CA 3.26Å; V541-G558 WeakPolarHBondContact O-CA 3.21Å; P556-G558 PolarHBondContact O-N 3.45Å; G558-Q561 PolarHBondContact O-NE2 2.93Å
559	I	97.9	Very high	96.8	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-91.9	-14.7	174.6	-161.5	162.7	0	0	0	113	F107 V541 N543 A544 F555 P556 A557 Q561 F564 I578 V581	F107-I559 HydrophobicContact CE1-CD1 4.35Å; V541-I559 PolarHBondContact O-N 2.93Å; N543-I559 WeakPolarHBondContact O-CB 3.43Å; N543-I559 WeakPolarHBondContact O-CG2 3.38Å; A544-I559 HydrophobicContact CB-CD1 4.39Å; F555-I559 HydrophobicContact CB-CG2 4.44Å; P556-I559 WeakPolarHBondContact O-CG2 3.33Å; P556-I559 PolarHBondContact O-N 2.74Å; P556-I559 VanDerWaalsContact O-N 3.1Å; A557-I559 VanDerWaalsContact C-N 3.32Å; A557-I559 PolarHBondContact O-N 3.08Å; I559-Q561 PolarHBondContact O-N 3.12Å; I559-F564 HydrophobicContact CD1-CD1 4.4Å; I559-F564 HydrophobicContact CD1-CE1 4.24Å; I559-F564 HydrophobicContact CD1-CZ 4.37Å; I559-F564 HydrophobicContact CG1-CD1 4.2Å; I559-F564 HydrophobicContact CG1-CD2 3.88Å; I559-F564 HydrophobicContact CG1-CE1 4.35Å; I559-F564 HydrophobicContact CG1-CE2 4.05Å; I559-F564 HydrophobicContact CG1-CG 3.97Å; I559-F564 HydrophobicContact CG1-CZ 4.31Å; I559-F564 WeakPolarHBondContact O-CB 3.29Å; I559-I578 HydrophobicContact CG2-CD1 4.22Å; I559-V581 HydrophobicContact CD1-CG1 4.15Å
560	L	97.3	Very high	96.9	Very high	10 Å²	10	15.2 Å²	15.2	5%	0.052	10%	0.095	C	C	.	.	S	Bend	trans	-83.1	52.5	-175.6	-59.3	-177	0	0	0	112.3	F432 V440 I480 F555 A557 F565 I578	F432-L560 HydrophobicContact CE2-CB 3.87Å; F432-L560 HydrophobicContact CE2-CD1 3.77Å; F432-L560 HydrophobicContact CE2-CG 4.43Å; F432-L560 HydrophobicContact CZ-CD1 3.93Å; V440-L560 HydrophobicContact CG1-CD2 4.11Å; V440-L560 HydrophobicContact CG2-CD1 4.26Å; V440-L560 HydrophobicContact CG2-CD2 3.83Å; I480-L560 HydrophobicContact CG2-CD1 3.93Å; F555-L560 HydrophobicContact CB-CD2 4.24Å; A557-L560 PolarHBondContact O-N 3.12Å; L560-F565 HydrophobicContact CB-CD1 4.41Å; L560-I578 HydrophobicContact CD2-CD1 3.71Å; L560-I578 HydrophobicContact CD2-CG1 3.92Å
561	Q	96.1	Very high	96.9	Very high	44 Å²	44	16.6 Å²	16.6	21%	0.206	10%	0.101	C	C	.	.	S	Bend	trans	-145.9	164.7	-179.3	60.6	-179.3	-42.7	0	0	111.2	L110 G558 I559 F564 F565	L110-Q561 HydrophobicContact CD2-CG 4.28Å; G558-Q561 PolarHBondContact O-NE2 2.93Å; I559-Q561 PolarHBondContact O-N 3.12Å; Q561-F564 WeakPolarHBondContact O-CB 3.31Å; Q561-F564 PolarHBondContact O-N 2.91Å; Q561-F565 CarbonylContact C-O 3.52Å; Q561-F565 WeakPolarHBondContact CA-O 3.16Å; Q561-F565 PolarHBondContact O-N 3.2Å
562	P	96.6	Very high	96.9	Very high	66 Å²	66	16.6 Å²	16.6	43%	0.429	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	144.5	178.2	-26.6	36.7	0	0	0	111.9	L110 F565	L110-P562 WeakPolarHBondContact CD2-O 3.44Å; P562-F565 WeakPolarHBondContact CD-O 3.4Å
563	P	97.1	Very high	96.9	Very high	8 Å²	8	16.6 Å²	16.6	5%	0.052	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82.7	-5	5.8	35.7	-36.2	0	0	0	114.6	N689 V693	P563-N689 PolarHBondContact O-ND2 3.39Å; P563-V693 HydrophobicContact CG-CG2 4.24Å
564	F	97.8	Very high	96.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-52.1	-176.8	-57.7	-83.5	0	0	0	111.7	F107 L110 I559 Q561 I578 V581 V693	F107-F564 HydrophobicContact CD1-CZ 4Å; F107-F564 HydrophobicContact CD2-CZ 4.15Å; F107-F564 HydrophobicContact CE1-CE1 4.08Å; F107-F564 HydrophobicContact CE1-CE2 4.44Å; F107-F564 AromaticContact CE1-CZ 3.52Å; F107-F564 HydrophobicContact CE1-CZ 3.52Å; F107-F564 HydrophobicContact CE2-CE1 4.08Å; F107-F564 AromaticContact CE2-CZ 3.69Å; F107-F564 HydrophobicContact CE2-CZ 3.69Å; F107-F564 HydrophobicContact CG-CZ 4.31Å; F107-F564 AromaticContact CZ-CE1 3.6Å; F107-F564 HydrophobicContact CZ-CE1 3.6Å; F107-F564 AromaticContact CZ-CZ 3.36Å; F107-F564 HydrophobicContact CZ-CZ 3.36Å; L110-F564 HydrophobicContact CD1-CD2 3.97Å; L110-F564 HydrophobicContact CD1-CE2 3.53Å; I559-F564 HydrophobicContact CD1-CD1 4.4Å; I559-F564 HydrophobicContact CD1-CE1 4.24Å; I559-F564 HydrophobicContact CD1-CZ 4.37Å; I559-F564 HydrophobicContact CG1-CD1 4.2Å; I559-F564 HydrophobicContact CG1-CD2 3.88Å; I559-F564 HydrophobicContact CG1-CE1 4.35Å; I559-F564 HydrophobicContact CG1-CE2 4.05Å; I559-F564 HydrophobicContact CG1-CG 3.97Å; I559-F564 HydrophobicContact CG1-CZ 4.31Å; I559-F564 WeakPolarHBondContact O-CB 3.29Å; Q561-F564 WeakPolarHBondContact O-CB 3.31Å; Q561-F564 PolarHBondContact O-N 2.91Å; F564-I578 HydrophobicContact CB-CB 4.21Å; F564-I578 HydrophobicContact CB-CD1 4.47Å; F564-I578 WeakPolarHBondContact O-CB 3.44Å; F564-I578 PolarHBondContact O-N 2.97Å; F564-V581 HydrophobicContact CD1-CG2 3.97Å; F564-V581 HydrophobicContact CE1-CG2 4.13Å; F564-V693 HydrophobicContact CD1-CG1 4.18Å; F564-V693 HydrophobicContact CD1-CG2 3.99Å; F564-V693 HydrophobicContact CE1-CB 4.27Å; F564-V693 HydrophobicContact CE1-CG1 3.33Å; F564-V693 HydrophobicContact CE1-CG2 3.92Å; F564-V693 HydrophobicContact CZ-CG1 3.85Å
565	F	97.4	Very high	96.9	Very high	1 Å²	1	16.8 Å²	16.8	0%	0.004	10%	0.102	C	C	.	.			trans	-144	138.3	-172	178.4	-101.8	0	0	0	113.4	V439 V440 M443 L560 Q561 P562 A567 N574 I578	V439-F565 HydrophobicContact CB-CE2 4.19Å; V439-F565 HydrophobicContact CB-CZ 3.87Å; V439-F565 HydrophobicContact CG1-CE2 3.72Å; V439-F565 HydrophobicContact CG1-CZ 3.86Å; V440-F565 HydrophobicContact CG2-CD1 4.28Å; V440-F565 HydrophobicContact CG2-CD2 4.07Å; V440-F565 HydrophobicContact CG2-CE1 4.2Å; V440-F565 HydrophobicContact CG2-CE2 3.95Å; V440-F565 HydrophobicContact CG2-CG 4.23Å; V440-F565 HydrophobicContact CG2-CZ 4.02Å; M443-F565 HydrophobicContact SD-CD2 4.5Å; M443-F565 HydrophobicContact SD-CE2 4.44Å; L560-F565 HydrophobicContact CB-CD1 4.41Å; Q561-F565 CarbonylContact C-O 3.52Å; Q561-F565 WeakPolarHBondContact CA-O 3.16Å; Q561-F565 PolarHBondContact O-N 3.2Å; P562-F565 WeakPolarHBondContact CD-O 3.4Å; F565-A567 HydrophobicContact CZ-CB 4.21Å; F565-N574 WeakPolarHBondContact CA-OD1 3.43Å; F565-I578 HydrophobicContact CB-CB 4Å; F565-I578 HydrophobicContact CB-CG1 4.45Å; F565-I578 HydrophobicContact CB-CG2 3.87Å; F565-I578 HydrophobicContact CD2-CG2 3.82Å; F565-I578 HydrophobicContact CG-CG2 4.26Å
566	S	94.8	Very high	96.9	Very high	25 Å²	25	16.8 Å²	16.8	18%	0.175	10%	0.102	C	C	.	.			trans	-151.1	139.6	155.1	164.1	0	0	0	0	108.7	T568 Q569 N574	S566-T568 PolarHBondContact O-N 3.01Å; S566-T568 VanDerWaalsContact O-N 3.11Å; S566-T568 PolarHBondContact OG-N 2.79Å; S566-T568 VanDerWaalsContact OG-N 3.17Å; S566-T568 PolarHBondContact OG-OG1 2.89Å; S566-Q569 WeakPolarHBondContact O-CG 3.47Å; S566-Q569 PolarHBondContact O-N 3.49Å; S566-N574 PolarHBondContact N-OD1 3.36Å; S566-N574 PolarHBondContact O-ND2 2.88Å; S566-N574 PolarHBondContact O-OD1 2.99Å
567	A	91.7	Very high	96.9	Very high	50 Å²	50	16.8 Å²	16.8	41%	0.413	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-22.7	176	0	0	0	0	0	112.7	F565	F565-A567 HydrophobicContact CZ-CB 4.21Å
568	T	91.3	Very high	96.9	Very high	78 Å²	78	16.7 Å²	16.7	48%	0.479	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-7.5	-175.2	59.5	0	0	0	0	114.5	D61 S566	D61-T568 WeakPolarHBondContact CB-OG1 3.4Å; D61-T568 WeakPolarHBondContact OD2-CB 3.33Å; D61-T568 PolarHBondContact OD2-OG1 3.26Å; S566-T568 PolarHBondContact O-N 3.01Å; S566-T568 VanDerWaalsContact O-N 3.11Å; S566-T568 PolarHBondContact OG-N 2.79Å; S566-T568 VanDerWaalsContact OG-N 3.17Å; S566-T568 PolarHBondContact OG-OG1 2.89Å
569	Q	95.2	Very high	97	Very high	7 Å²	7	16.7 Å²	16.7	3%	0.033	10%	0.102	C	C	.	.	S	Bend	trans	-81	157.9	172.2	77.4	177.3	-0.7	0	0	111.4	S566 L573 N574	S566-Q569 WeakPolarHBondContact O-CG 3.47Å; S566-Q569 PolarHBondContact O-N 3.49Å; Q569-L573 HydrophobicContact CB-CD1 4.46Å; Q569-L573 HydrophobicContact CG-CB 4.31Å; Q569-N574 VanDerWaalsContact CG-OD1 3.27Å; Q569-N574 WeakPolarHBondContact CG-OD1 3.38Å; Q569-N574 PolarHBondContact NE2-OD1 3.48Å; Q569-N574 PolarHBondContact O-ND2 3.05Å
570	S	97.2	Very high	97	Very high	8 Å²	8	16.7 Å²	16.7	6%	0.056	10%	0.101	C	C	.	.			trans	-54	141.5	178.4	-53.1	0	0	0	0	112	S572 L573 N574 E672	S570-S572 VanDerWaalsContact C-N 3.27Å; S570-S572 PolarHBondContact O-N 3.34Å; S570-L573 WeakPolarHBondContact O-CB 3.21Å; S570-L573 PolarHBondContact O-N 3.08Å; S570-N574 PolarHBondContact O-N 3.02Å; S570-N574 VanDerWaalsContact O-N 3.15Å; S570-E672 WeakPolarHBondContact CA-OE1 3.38Å
571	K	97.7	Very high	97.1	Very high	48 Å²	48	16.7 Å²	16.7	21%	0.209	10%	0.102	C	C	.	.	H	α-helix	trans	-63	-34	-179.2	-64.1	-65.7	-173.4	177.9	0	111.7	L573 N574 Y575 Y662 F665 E672	K571-L573 PolarHBondContact O-N 3.3Å; K571-N574 PolarHBondContact O-N 3.33Å; K571-N574 VanDerWaalsContact O-N 3.11Å; K571-Y575 HydrophobicContact CB-CD2 4.16Å; K571-Y575 HydrophobicContact CB-CE2 4.21Å; K571-Y575 VanDerWaalsContact O-CD2 3.28Å; K571-Y575 WeakPolarHBondContact O-CD2 3.17Å; K571-Y575 PolarHBondContact O-N 2.87Å; K571-Y662 HydrophobicContact CB-CE2 4.49Å; K571-F665 HydrophobicContact CB-CD1 4.04Å; K571-F665 HydrophobicContact CB-CE1 3.77Å; K571-F665 HydrophobicContact CB-CZ 4.11Å; K571-F665 HydrophobicContact CD-CE2 4.48Å; K571-F665 HydrophobicContact CG-CD1 4.36Å; K571-F665 HydrophobicContact CG-CE1 3.75Å; K571-F665 HydrophobicContact CG-CE2 3.95Å; K571-F665 HydrophobicContact CG-CZ 3.55Å; K571-E672 WeakPolarHBondContact CB-OE2 3.46Å; K571-E672 VanDerWaalsContact N-CD 3.31Å; K571-E672 PolarHBondContact N-OE1 3.33Å; K571-E672 PolarHBondContact N-OE2 3.5Å; K571-E672 VanDerWaalsContact N-OE2 3.14Å
572	S	98.4	Very high	97.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-53.1	-38.7	171	69.6	0	0	0	0	113.2	S570 G576 E672 H682 F686	S570-S572 VanDerWaalsContact C-N 3.27Å; S570-S572 PolarHBondContact O-N 3.34Å; S572-G576 PolarHBondContact O-N 3.35Å; S572-E672 PolarHBondContact N-OE2 2.85Å; S572-H682 WeakPolarHBondContact CB-O 3.5Å; S572-H682 PolarHBondContact OG-ND1 3.25Å; S572-F686 WeakPolarHBondContact O-CA 3.47Å
573	L	98.7	Very high	97.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-73.8	-45.2	176.7	-52.5	-178.9	0	0	0	110.8	I69 Q569 S570 K571 Y575 G576 G577 L675 L685 N689	I69-L573 HydrophobicContact CD1-CD1 4.26Å; I69-L573 HydrophobicContact CD1-CD2 3.77Å; Q569-L573 HydrophobicContact CB-CD1 4.46Å; Q569-L573 HydrophobicContact CG-CB 4.31Å; S570-L573 WeakPolarHBondContact O-CB 3.21Å; S570-L573 PolarHBondContact O-N 3.08Å; K571-L573 PolarHBondContact O-N 3.3Å; L573-Y575 PolarHBondContact O-N 2.88Å; L573-G576 CarbonylContact O-C 3.57Å; L573-G576 PolarHBondContact O-N 3.42Å; L573-G577 PolarHBondContact O-N 2.84Å; L573-L675 HydrophobicContact CD1-CD1 4.24Å; L573-L685 HydrophobicContact CD2-CB 4.24Å; L573-N689 HydrophobicContact CB-CB 4.38Å; L573-N689 HydrophobicContact CD2-CB 3.73Å; L573-N689 PolarHBondContact O-ND2 3.29Å
574	N	98.4	Very high	97.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.5	-48.5	177.2	-76.1	-35	0	0	0	112.1	M443 F565 S566 Q569 S570 K571 G577 I578 G579	M443-N574 HydrophobicContact CE-CB 4.01Å; M443-N574 HydrophobicContact SD-CB 4.22Å; F565-N574 WeakPolarHBondContact CA-OD1 3.43Å; S566-N574 PolarHBondContact N-OD1 3.36Å; S566-N574 PolarHBondContact O-ND2 2.88Å; S566-N574 PolarHBondContact O-OD1 2.99Å; Q569-N574 VanDerWaalsContact CG-OD1 3.27Å; Q569-N574 WeakPolarHBondContact CG-OD1 3.38Å; Q569-N574 PolarHBondContact NE2-OD1 3.48Å; Q569-N574 PolarHBondContact O-ND2 3.05Å; S570-N574 PolarHBondContact O-N 3.02Å; S570-N574 VanDerWaalsContact O-N 3.15Å; K571-N574 PolarHBondContact O-N 3.33Å; K571-N574 VanDerWaalsContact O-N 3.11Å; N574-G577 CarbonylContact O-C 3.52Å; N574-G577 PolarHBondContact O-N 3.49Å; N574-I578 WeakPolarHBondContact O-CG2 3.43Å; N574-I578 PolarHBondContact O-N 3.05Å; N574-G579 PolarHBondContact O-N 2.89Å
575	Y	98.8	Very high	97.5	Very high	5 Å²	5	12.1 Å²	12.1	2%	0.02	7%	0.074	C	C	.	.	I	π-helix	trans	-67.7	-38.5	177.7	-75.5	-80.7	0	0	0	111.7	M443 D446 K571 L573 G577 G579 M580 A658 A661 Y662 F665 F686	M443-Y575 HydrophobicContact CE-CD1 3.83Å; M443-Y575 HydrophobicContact CE-CD2 4.37Å; M443-Y575 HydrophobicContact CE-CE1 4.05Å; M443-Y575 HydrophobicContact CE-CG 4Å; D446-Y575 PolarHBondContact OD2-OH 3.2Å; K571-Y575 HydrophobicContact CB-CD2 4.16Å; K571-Y575 HydrophobicContact CB-CE2 4.21Å; K571-Y575 VanDerWaalsContact O-CD2 3.28Å; K571-Y575 WeakPolarHBondContact O-CD2 3.17Å; K571-Y575 PolarHBondContact O-N 2.87Å; L573-Y575 PolarHBondContact O-N 2.88Å; Y575-G577 VanDerWaalsContact C-N 3.26Å; Y575-G577 PolarHBondContact O-N 3.46Å; Y575-G579 CarbonylContact O-C 3.58Å; Y575-G579 VanDerWaalsContact O-CA 3.29Å; Y575-G579 WeakPolarHBondContact O-CA 3.34Å; Y575-G579 PolarHBondContact O-N 3.36Å; Y575-M580 PolarHBondContact O-N 2.65Å; Y575-A658 WeakPolarHBondContact O-CB 3.42Å; Y575-A661 HydrophobicContact CD1-CB 3.89Å; Y575-A661 HydrophobicContact CE1-CB 3.63Å; Y575-Y662 AromaticContact CD2-CD2 3.79Å; Y575-Y662 HydrophobicContact CD2-CD2 3.79Å; Y575-Y662 HydrophobicContact CD2-CG 4.36Å; Y575-Y662 HydrophobicContact CE2-CD2 4.45Å; Y575-Y662 HydrophobicContact CG-CD2 4.42Å; Y575-F665 HydrophobicContact CE2-CB 3.92Å; Y575-F665 HydrophobicContact CE2-CD2 4.42Å; Y575-F665 HydrophobicContact CE2-CG 4.07Å; Y575-F686 VanDerWaalsContact C-CE2 3.41Å
576	G	98.6	Very high	97.6	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.074	C	C	.	.	I	π-helix	trans	-70.4	-20	175	0	0	0	0	0	114.3	S572 L573 F686 F690	S572-G576 PolarHBondContact O-N 3.35Å; L573-G576 CarbonylContact O-C 3.57Å; L573-G576 PolarHBondContact O-N 3.42Å; G576-F686 VanDerWaalsContact CA-CE2 3.5Å; G576-F686 VanDerWaalsContact N-CE2 3.33Å; G576-F690 WeakPolarHBondContact O-CA 3.4Å; G576-F690 WeakPolarHBondContact O-CB 3.44Å; G576-F690 PolarHBondContact O-N 2.95Å
577	G	98.6	Very high	97.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.065	C	C	.	.	I	π-helix	trans	-98.9	-97.8	176.8	0	0	0	0	0	111.4	L573 N574 Y575 G579 M580 V581	L573-G577 PolarHBondContact O-N 2.84Å; N574-G577 CarbonylContact O-C 3.52Å; N574-G577 PolarHBondContact O-N 3.49Å; Y575-G577 VanDerWaalsContact C-N 3.26Å; Y575-G577 PolarHBondContact O-N 3.46Å; G577-G579 VanDerWaalsContact C-N 3.25Å; G577-G579 PolarHBondContact O-N 3.19Å; G577-M580 PolarHBondContact O-N 3.37Å; G577-V581 PolarHBondContact O-N 2.62Å
578	I	98.6	Very high	98.1	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.05	C	C	.	.	I	π-helix	trans	-62.6	-29.8	-177.5	-164	62.5	0	0	0	113	M443 F555 I559 L560 F564 F565 N574 V581 I582	M443-I578 HydrophobicContact CE-CG2 3.75Å; M443-I578 HydrophobicContact SD-CG2 4.02Å; F555-I578 HydrophobicContact CD1-CD1 4.4Å; I559-I578 HydrophobicContact CG2-CD1 4.22Å; L560-I578 HydrophobicContact CD2-CD1 3.71Å; L560-I578 HydrophobicContact CD2-CG1 3.92Å; F564-I578 HydrophobicContact CB-CB 4.21Å; F564-I578 HydrophobicContact CB-CD1 4.47Å; F564-I578 WeakPolarHBondContact O-CB 3.44Å; F564-I578 PolarHBondContact O-N 2.97Å; F565-I578 HydrophobicContact CB-CB 4Å; F565-I578 HydrophobicContact CB-CG1 4.45Å; F565-I578 HydrophobicContact CB-CG2 3.87Å; F565-I578 HydrophobicContact CD2-CG2 3.82Å; F565-I578 HydrophobicContact CG-CG2 4.26Å; N574-I578 WeakPolarHBondContact O-CG2 3.43Å; N574-I578 PolarHBondContact O-N 3.05Å; I578-V581 HydrophobicContact CD1-CB 4.29Å; I578-V581 HydrophobicContact CD1-CG1 4.44Å; I578-V581 PolarHBondContact O-N 3.46Å; I578-I582 HydrophobicContact CG1-CD1 4.13Å; I578-I582 HydrophobicContact CG1-CG1 4.39Å; I578-I582 WeakPolarHBondContact O-CD1 3.41Å; I578-I582 VanDerWaalsContact O-CG1 3.24Å; I578-I582 WeakPolarHBondContact O-CG1 3.39Å; I578-I582 PolarHBondContact O-N 2.79Å
579	G	98.8	Very high	98.4	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.027	C	C	.	.	I	π-helix	trans	-63.4	-43.3	176	0	0	0	0	0	112.3	I447 N574 Y575 G577 V581 I582 G583 A658	I447-G579 VanDerWaalsContact CD1-O 3.3Å; I447-G579 WeakPolarHBondContact CD1-O 3.43Å; N574-G579 PolarHBondContact O-N 2.89Å; Y575-G579 CarbonylContact O-C 3.58Å; Y575-G579 VanDerWaalsContact O-CA 3.29Å; Y575-G579 WeakPolarHBondContact O-CA 3.34Å; Y575-G579 PolarHBondContact O-N 3.36Å; G577-G579 VanDerWaalsContact C-N 3.25Å; G577-G579 PolarHBondContact O-N 3.19Å; G579-V581 VanDerWaalsContact C-N 3.33Å; G579-V581 PolarHBondContact O-N 3.36Å; G579-I582 PolarHBondContact O-N 2.95Å; G579-G583 PolarHBondContact O-N 3.15Å; G579-A658 VanDerWaalsContact C-CB 3.43Å
580	M	98.7	Very high	98.6	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.005	3%	0.025	C	C	.	.	H	α-helix	trans	-61.6	-43.9	173.9	179.9	-83.9	-71.4	0	0	110.9	Y575 G577 I582 G583 H584 V655 A658 F690 W694	Y575-M580 PolarHBondContact O-N 2.65Å; G577-M580 PolarHBondContact O-N 3.37Å; M580-I582 VanDerWaalsContact C-N 3.32Å; M580-I582 PolarHBondContact O-N 2.58Å; M580-G583 PolarHBondContact O-N 3.37Å; M580-H584 WeakPolarHBondContact O-CB 3.46Å; M580-H584 PolarHBondContact O-N 3.34Å; M580-V655 HydrophobicContact CG-CB 3.92Å; M580-V655 HydrophobicContact CG-CG2 4.41Å; M580-A658 HydrophobicContact CB-CB 4.28Å; M580-F690 HydrophobicContact CB-CD2 4.34Å; M580-F690 HydrophobicContact CE-CD2 3.53Å; M580-F690 HydrophobicContact CE-CE2 3.61Å; M580-F690 HydrophobicContact CG-CD2 3.72Å; M580-F690 HydrophobicContact CG-CE2 3.88Å; M580-F690 HydrophobicContact SD-CD2 4.26Å; M580-F690 HydrophobicContact SD-CE2 4.08Å; M580-W694 HydrophobicContact CE-CZ2 3.63Å
581	V	98.8	Very high	98.7	Very high	10 Å²	10	5.5 Å²	5.5	6%	0.061	3%	0.026	C	C	.	.	H	α-helix	trans	-61.7	-39.7	176.6	179	0	0	0	0	111.5	A544 F555 I559 F564 G577 I578 G579 H584 E585	A544-V581 HydrophobicContact CB-CG1 3.53Å; F555-V581 HydrophobicContact CD1-CG1 4.34Å; F555-V581 HydrophobicContact CE1-CG1 4.13Å; I559-V581 HydrophobicContact CD1-CG1 4.15Å; F564-V581 HydrophobicContact CD1-CG2 3.97Å; F564-V581 HydrophobicContact CE1-CG2 4.13Å; G577-V581 PolarHBondContact O-N 2.62Å; I578-V581 HydrophobicContact CD1-CB 4.29Å; I578-V581 HydrophobicContact CD1-CG1 4.44Å; I578-V581 PolarHBondContact O-N 3.46Å; G579-V581 VanDerWaalsContact C-N 3.33Å; G579-V581 PolarHBondContact O-N 3.36Å; V581-H584 WeakPolarHBondContact O-CB 3.34Å; V581-H584 PolarHBondContact O-N 3.4Å; V581-E585 WeakPolarHBondContact O-CG 3.27Å; V581-E585 PolarHBondContact O-N 3.45Å
582	I	98.9	Very high	98.7	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-62	-47.2	174.9	-71.2	159.5	0	0	0	111.2	V440 M443 I444 I447 F555 I578 G579 M580 H584 E585 I586	V440-I582 HydrophobicContact CG1-CD1 4.39Å; M443-I582 HydrophobicContact CB-CD1 4.03Å; I444-I582 HydrophobicContact CB-CG2 4.37Å; I444-I582 HydrophobicContact CG1-CD1 3.76Å; I444-I582 HydrophobicContact CG1-CG1 3.91Å; I444-I582 HydrophobicContact CG1-CG2 3.83Å; I447-I582 HydrophobicContact CB-CG2 4.02Å; I447-I582 HydrophobicContact CD1-CB 3.77Å; I447-I582 HydrophobicContact CD1-CD1 4.18Å; I447-I582 HydrophobicContact CD1-CG2 3.68Å; I447-I582 HydrophobicContact CG1-CG2 4.46Å; I447-I582 HydrophobicContact CG2-CG2 4.05Å; F555-I582 HydrophobicContact CD1-CG1 4.3Å; F555-I582 HydrophobicContact CE1-CB 4.28Å; F555-I582 HydrophobicContact CE1-CG1 3.72Å; F555-I582 HydrophobicContact CE2-CG1 4.1Å; F555-I582 HydrophobicContact CZ-CB 4.02Å; F555-I582 HydrophobicContact CZ-CG1 3.62Å; F555-I582 HydrophobicContact CZ-CG2 4.31Å; I578-I582 HydrophobicContact CG1-CD1 4.13Å; I578-I582 HydrophobicContact CG1-CG1 4.39Å; I578-I582 WeakPolarHBondContact O-CD1 3.41Å; I578-I582 VanDerWaalsContact O-CG1 3.24Å; I578-I582 WeakPolarHBondContact O-CG1 3.39Å; I578-I582 PolarHBondContact O-N 2.79Å; G579-I582 PolarHBondContact O-N 2.95Å; M580-I582 VanDerWaalsContact C-N 3.32Å; M580-I582 PolarHBondContact O-N 2.58Å; I582-H584 VanDerWaalsContact C-N 3.28Å; I582-H584 PolarHBondContact O-N 3.23Å; I582-E585 PolarHBondContact O-N 3.06Å; I582-I586 HydrophobicContact CG2-CD1 3.88Å; I582-I586 WeakPolarHBondContact O-CG1 3.28Å; I582-I586 PolarHBondContact O-N 3.35Å
583	G	98.9	Very high	98.6	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-63.8	-34.8	176.8	0	0	0	0	0	112.5	G579 M580 I586 T587 Q657	G579-G583 PolarHBondContact O-N 3.15Å; M580-G583 PolarHBondContact O-N 3.37Å; G583-I586 PolarHBondContact O-N 3.27Å; G583-T587 VanDerWaalsContact O-CB 3.26Å; G583-T587 WeakPolarHBondContact O-CB 3.32Å; G583-T587 PolarHBondContact O-N 3.45Å; G583-T587 PolarHBondContact O-OG1 3Å; G583-Q657 PolarHBondContact O-OE1 3.32Å
584	H	98.9	Very high	98.6	Very high	9 Å²	9	7.6 Å²	7.6	4%	0.042	4%	0.039	C	C	.	.	H	α-helix	trans	-58.4	-54.3	173.9	-174.2	93.8	0	0	0	110.8	M580 V581 I582 I586 T587 H588 E647 A650 D651 R718	M580-H584 WeakPolarHBondContact O-CB 3.46Å; M580-H584 PolarHBondContact O-N 3.34Å; V581-H584 WeakPolarHBondContact O-CB 3.34Å; V581-H584 PolarHBondContact O-N 3.4Å; I582-H584 VanDerWaalsContact C-N 3.28Å; I582-H584 PolarHBondContact O-N 3.23Å; H584-I586 PolarHBondContact O-N 2.92Å; H584-T587 PolarHBondContact O-N 3.1Å; H584-T587 VanDerWaalsContact O-N 3.1Å; H584-H588 AromaticContact CD2-CD2 3.57Å; H584-H588 AromaticContact CD2-NE2 3.35Å; H584-H588 PolarHBondContact CD2-NE2 3.02Å; H584-H588 AromaticContact CE1-NE2 3.88Å; H584-H588 AromaticContact NE2-CD2 3.62Å; H584-H588 AromaticContact NE2-CE1 3.69Å; H584-H588 AromaticContact NE2-NE2 2.88Å; H584-H588 PolarHBondContact NE2-NE2 2.86Å; H584-H588 PolarHBondContact O-N 2.55Å; H584-E647 IonicContact CE1-OE2 3.98Å; H584-E647 PolarHBondContact CE1-OE2 2.87Å; H584-E647 IonicContact NE2-OE2 3.81Å; H584-E647 PolarHBondContact NE2-OE2 3.44Å; H584-A650 WeakPolarHBondContact CE1-CB 2.97Å; H584-A650 VanDerWaalsContact ND1-C 3.26Å; H584-A650 WeakPolarHBondContact ND1-CB 3.39Å; H584-D651 IonicContact CE1-OD1 3.25Å; H584-D651 PolarHBondContact ND1-N 2.72Å; H584-D651 IonicContact ND1-OD1 2.69Å; H584-D651 PolarHBondContact ND1-OD1 2.94Å; H584-R718 PolarHBondContact CE1-NH2 3.2Å
585	E	98.8	Very high	98.6	Very high	12 Å²	12	8.4 Å²	8.4	6%	0.056	4%	0.042	C	C	.	.	H	α-helix	trans	-66.5	-33.5	-179.9	-58.5	-49	146.2	0	0	113.5	A544 F545 Y546 I553 F555 V581 I582 T587 H588	A544-E585 HydrophobicContact CB-CG 3.77Å; A544-E585 WeakPolarHBondContact CB-OE1 3.18Å; F545-E585 VanDerWaalsContact CA-OE2 3.24Å; F545-E585 WeakPolarHBondContact CA-OE2 3.39Å; F545-E585 PolarHBondContact N-OE2 2.71Å; Y546-E585 PolarHBondContact N-OE2 3.11Å; I553-E585 HydrophobicContact CB-CB 4.11Å; I553-E585 HydrophobicContact CG2-CB 3.73Å; I553-E585 WeakPolarHBondContact CG2-O 3.33Å; F555-E585 HydrophobicContact CE1-CB 4.25Å; F555-E585 HydrophobicContact CE1-CG 3.71Å; F555-E585 HydrophobicContact CZ-CB 4.02Å; F555-E585 HydrophobicContact CZ-CG 3.99Å; V581-E585 WeakPolarHBondContact O-CG 3.27Å; V581-E585 PolarHBondContact O-N 3.45Å; I582-E585 PolarHBondContact O-N 3.06Å; E585-T587 VanDerWaalsContact C-N 3.34Å; E585-H588 IonicContact OE2-CD2 2.86Å
586	I	98.9	Very high	98.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-65.2	-43	172.2	-71.3	168.9	0	0	0	110	I447 R448 F451 I476 I553 I582 G583 H584 H588 G589 F590	I447-I586 HydrophobicContact CG2-CD1 3.98Å; R448-I586 HydrophobicContact CB-CD1 4.34Å; F451-I586 HydrophobicContact CB-CG2 4.32Å; F451-I586 HydrophobicContact CD2-CG2 4.07Å; F451-I586 HydrophobicContact CG-CG2 4.04Å; I476-I586 HydrophobicContact CD1-CG1 4.45Å; I476-I586 HydrophobicContact CD1-CG2 4.08Å; I553-I586 HydrophobicContact CD1-CG1 4Å; I582-I586 HydrophobicContact CG2-CD1 3.88Å; I582-I586 WeakPolarHBondContact O-CG1 3.28Å; I582-I586 PolarHBondContact O-N 3.35Å; G583-I586 PolarHBondContact O-N 3.27Å; H584-I586 PolarHBondContact O-N 2.92Å; I586-H588 VanDerWaalsContact C-N 3.3Å; I586-H588 PolarHBondContact O-N 3.05Å; I586-G589 PolarHBondContact O-N 2.52Å; I586-F590 WeakPolarHBondContact O-CD2 3.47Å
587	T	98.9	Very high	98.6	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-68.3	-28.2	-177.7	-56.3	0	0	0	0	112.4	G583 H584 E585 G589 F590 D591 I649 A650 Q657 W750	G583-T587 VanDerWaalsContact O-CB 3.26Å; G583-T587 WeakPolarHBondContact O-CB 3.32Å; G583-T587 PolarHBondContact O-N 3.45Å; G583-T587 PolarHBondContact O-OG1 3Å; H584-T587 PolarHBondContact O-N 3.1Å; H584-T587 VanDerWaalsContact O-N 3.1Å; E585-T587 VanDerWaalsContact C-N 3.34Å; T587-G589 PolarHBondContact O-N 3.46Å; T587-G589 VanDerWaalsContact O-N 3.16Å; T587-F590 CarbonylContact O-C 3.58Å; T587-F590 WeakPolarHBondContact O-CA 3.25Å; T587-F590 PolarHBondContact O-N 3.35Å; T587-D591 PolarHBondContact O-N 2.69Å; T587-I649 HydrophobicContact CG2-CG2 3.98Å; T587-A650 HydrophobicContact CG2-CB 4.43Å; T587-Q657 PolarHBondContact OG1-NE2 3.25Å; T587-Q657 PolarHBondContact OG1-OE1 2.73Å; T587-W750 HydrophobicContact CG2-CB 4.4Å; T587-W750 VanDerWaalsContact CG2-CD1 3.44Å; T587-W750 HydrophobicContact CG2-CG 4.09Å
588	H	98.8	Very high	98.6	Very high	18 Å²	18	9.6 Å²	9.6	8%	0.083	5%	0.049	C	C	.	.	H	α-helix	trans	-57.8	-24.5	168.7	-83.6	-48.8	0	0	0	113.5	Y546 H584 E585 I586 F590 D591 G594 E647	Y546-H588 HydrophobicContact CD1-CB 3.58Å; Y546-H588 HydrophobicContact CE1-CB 4.4Å; Y546-H588 WeakPolarHBondContact CE1-O 3.48Å; Y546-H588 HydrophobicContact CG-CB 3.71Å; H584-H588 AromaticContact CD2-CD2 3.57Å; H584-H588 AromaticContact CD2-NE2 3.35Å; H584-H588 PolarHBondContact CD2-NE2 3.02Å; H584-H588 AromaticContact CE1-NE2 3.88Å; H584-H588 AromaticContact NE2-CD2 3.62Å; H584-H588 AromaticContact NE2-CE1 3.69Å; H584-H588 AromaticContact NE2-NE2 2.88Å; H584-H588 PolarHBondContact NE2-NE2 2.86Å; H584-H588 PolarHBondContact O-N 2.55Å; E585-H588 IonicContact OE2-CD2 2.86Å; I586-H588 VanDerWaalsContact C-N 3.3Å; I586-H588 PolarHBondContact O-N 3.05Å; H588-F590 PolarHBondContact O-N 2.76Å; H588-F590 VanDerWaalsContact O-N 3.12Å; H588-D591 IonicContact CE1-OD2 2.9Å; H588-D591 IonicContact CG-OD2 3.5Å; H588-D591 IonicContact ND1-OD2 4Å; H588-D591 PolarHBondContact ND1-OD2 2.7Å; H588-G594 WeakPolarHBondContact O-CA 3.21Å; H588-E647 IonicContact CE1-OE1 2.99Å; H588-E647 PolarHBondContact CE1-OE1 3.2Å; H588-E647 IonicContact CE1-OE2 3.93Å; H588-E647 PolarHBondContact CE1-OE2 3.26Å; H588-E647 IonicContact NE2-OE1 3.11Å; H588-E647 PolarHBondContact NE2-OE1 3.47Å; H588-E647 IonicContact NE2-OE2 2.83Å; H588-E647 PolarHBondContact NE2-OE2 2.86Å
589	G	98.6	Very high	98.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.8	168.6	0	0	0	0	0	114.2	K472 Y546 I586 T587 G594	K472-G589 WeakPolarHBondContact CE-O 3.2Å; K472-G589 PolarHBondContact NZ-O 2.87Å; Y546-G589 WeakPolarHBondContact OH-CA 3.28Å; I586-G589 PolarHBondContact O-N 2.52Å; T587-G589 PolarHBondContact O-N 3.46Å; T587-G589 VanDerWaalsContact O-N 3.16Å; G589-G594 CarbonylContact O-C 3.4Å; G589-G594 VanDerWaalsContact O-C 3.28Å
590	F	98.8	Very high	98.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.3	10.5	-169.4	-54.4	-84.9	0	0	0	113.1	F451 A469 K472 A473 I476 I586 T587 H588 W606 F615 W750	F451-F590 HydrophobicContact CD1-CE2 4.32Å; F451-F590 HydrophobicContact CE1-CD1 4.49Å; F451-F590 AromaticContact CE1-CD2 3.86Å; F451-F590 HydrophobicContact CE1-CD2 3.86Å; F451-F590 HydrophobicContact CE1-CE1 4.16Å; F451-F590 AromaticContact CE1-CE2 3.46Å; F451-F590 HydrophobicContact CE1-CE2 3.46Å; F451-F590 VanDerWaalsContact CE1-CE2 3.46Å; F451-F590 HydrophobicContact CE1-CG 4.36Å; F451-F590 AromaticContact CE1-CZ 3.63Å; F451-F590 HydrophobicContact CE1-CZ 3.63Å; F451-F590 AromaticContact CE2-CD2 3.84Å; F451-F590 HydrophobicContact CE2-CD2 3.84Å; F451-F590 HydrophobicContact CE2-CE2 4.21Å; F451-F590 HydrophobicContact CE2-CG 4.35Å; F451-F590 HydrophobicContact CZ-CB 4.32Å; F451-F590 HydrophobicContact CZ-CD1 4.04Å; F451-F590 AromaticContact CZ-CD2 3.26Å; F451-F590 HydrophobicContact CZ-CD2 3.26Å; F451-F590 HydrophobicContact CZ-CE1 4.16Å; F451-F590 AromaticContact CZ-CE2 3.4Å; F451-F590 HydrophobicContact CZ-CE2 3.4Å; F451-F590 VanDerWaalsContact CZ-CE2 3.4Å; F451-F590 AromaticContact CZ-CG 3.61Å; F451-F590 HydrophobicContact CZ-CG 3.61Å; F451-F590 AromaticContact CZ-CZ 3.86Å; F451-F590 HydrophobicContact CZ-CZ 3.86Å; A469-F590 HydrophobicContact CB-CD1 4.44Å; A469-F590 HydrophobicContact CB-CE1 3.99Å; A469-F590 WeakPolarHBondContact O-CZ 3.35Å; K472-F590 HydrophobicContact CB-CE1 4.01Å; K472-F590 HydrophobicContact CB-CZ 4.03Å; K472-F590 HydrophobicContact CD-CD1 4.48Å; K472-F590 HydrophobicContact CD-CE1 3.85Å; K472-F590 HydrophobicContact CD-CZ 4.1Å; K472-F590 HydrophobicContact CG-CE1 4.07Å; K472-F590 HydrophobicContact CG-CZ 3.93Å; A473-F590 HydrophobicContact CB-CE2 4.21Å; A473-F590 HydrophobicContact CB-CZ 3.81Å; I476-F590 HydrophobicContact CD1-CE2 4.3Å; I586-F590 WeakPolarHBondContact O-CD2 3.47Å; T587-F590 CarbonylContact O-C 3.58Å; T587-F590 WeakPolarHBondContact O-CA 3.25Å; T587-F590 PolarHBondContact O-N 3.35Å; H588-F590 PolarHBondContact O-N 2.76Å; H588-F590 VanDerWaalsContact O-N 3.12Å; F590-W606 HydrophobicContact CD1-CH2 4.14Å; F590-W606 HydrophobicContact CE1-CH2 4.24Å; F590-F615 WeakPolarHBondContact O-CE2 3.3Å; F590-W750 HydrophobicContact CB-CD2 4.21Å; F590-W750 VanDerWaalsContact CB-CE2 3.49Å; F590-W750 HydrophobicContact CB-CH2 3.99Å; F590-W750 HydrophobicContact CB-CZ2 3.41Å; F590-W750 VanDerWaalsContact CB-CZ2 3.41Å; F590-W750 HydrophobicContact CD1-CH2 4.34Å; F590-W750 HydrophobicContact CG-CH2 4.48Å; F590-W750 HydrophobicContact CG-CZ2 4.35Å; F590-W750 VanDerWaalsContact O-CE2 3.27Å; F590-W750 WeakPolarHBondContact O-CZ2 3.31Å; F590-W750 PolarHBondContact O-NE1 3.09Å
591	D	98.6	Very high	98.5	Very high	12 Å²	12	15.7 Å²	15.7	6%	0.064	8%	0.079	C	C	.	.	S	Bend	trans	-72.6	-173.3	171.6	71.4	19.8	0	0	0	111.8	T587 H588 N593 G594 R595 I649	T587-D591 PolarHBondContact O-N 2.69Å; H588-D591 IonicContact CE1-OD2 2.9Å; H588-D591 IonicContact CG-OD2 3.5Å; H588-D591 IonicContact ND1-OD2 4Å; H588-D591 PolarHBondContact ND1-OD2 2.7Å; D591-N593 PolarHBondContact O-N 3.49Å; D591-N593 WeakPolarHBondContact OD1-CA 3.34Å; D591-N593 PolarHBondContact OD1-N 3.48Å; D591-G594 PolarHBondContact OD1-N 3.2Å; D591-R595 WeakPolarHBondContact O-CB 2.84Å; D591-R595 WeakPolarHBondContact O-CG 3.37Å; D591-R595 PolarHBondContact O-N 3.36Å; D591-I649 HydrophobicContact CB-CB 4.44Å; D591-I649 HydrophobicContact CB-CG2 4.24Å
592	D	97.5	Very high	98.5	Very high	26 Å²	26	16.4 Å²	16.4	14%	0.139	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.7	-176.6	61.1	-55.7	0	0	0	114.1	N596 F615 L645 G646	D592-N596 PolarHBondContact O-ND2 3.35Å; D592-F615 HydrophobicContact CB-CE1 4.08Å; D592-F615 HydrophobicContact CB-CZ 4.41Å; D592-L645 HydrophobicContact CB-CD2 4.19Å; D592-G646 WeakPolarHBondContact OD1-CA 3.46Å; D592-G646 PolarHBondContact OD1-N 3.25Å; D592-G646 VanDerWaalsContact OD1-N 3.16Å
593	N	97.9	Very high	98.4	Very high	65 Å²	65	16.5 Å²	16.5	35%	0.348	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-58	174.1	-175.3	-87.5	0	0	0	112	D591 R595 N596	D591-N593 PolarHBondContact O-N 3.49Å; D591-N593 WeakPolarHBondContact OD1-CA 3.34Å; D591-N593 PolarHBondContact OD1-N 3.48Å; N593-R595 VanDerWaalsContact C-N 3.28Å; N593-R595 PolarHBondContact O-N 3.02Å; N593-N596 WeakPolarHBondContact O-CB 3.22Å; N593-N596 PolarHBondContact O-N 3.42Å; N593-N596 VanDerWaalsContact O-N 3.13Å; N593-N596 PolarHBondContact O-ND2 3.26Å
594	G	98.2	Very high	98.3	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.01	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-62.5	-31.3	-173.3	0	0	0	0	0	113.2	K472 H588 G589 D591 N596 F597	K472-G594 PolarHBondContact NZ-O 3.03Å; H588-G594 WeakPolarHBondContact O-CA 3.21Å; G589-G594 CarbonylContact O-C 3.4Å; G589-G594 VanDerWaalsContact O-C 3.28Å; D591-G594 PolarHBondContact OD1-N 3.2Å; G594-N596 PolarHBondContact O-N 3.48Å; G594-F597 PolarHBondContact O-N 3.14Å
595	R	98.4	Very high	98.1	Very high	17 Å²	17	25.1 Å²	25.1	6%	0.064	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-57.5	-21.8	176.6	75.6	172.1	-177.1	67.8	18.7	113.8	D591 N593 F597 W606 W607	D591-R595 WeakPolarHBondContact O-CB 2.84Å; D591-R595 WeakPolarHBondContact O-CG 3.37Å; D591-R595 PolarHBondContact O-N 3.36Å; N593-R595 VanDerWaalsContact C-N 3.28Å; N593-R595 PolarHBondContact O-N 3.02Å; R595-F597 VanDerWaalsContact C-N 3.26Å; R595-F597 PolarHBondContact O-N 3.49Å; R595-W606 WeakPolarHBondContact O-CZ2 3.42Å; R595-W606 PolarHBondContact O-NE1 3.34Å; R595-W607 HydrophobicContact CB-CZ2 3.67Å; R595-W607 HydrophobicContact CG-CZ2 4.39Å; R595-W607 PolarHBondContact O-NE1 2.98Å
596	N	98.5	Very high	98.1	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.037	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-82	-6.6	-177.8	-53.6	-75.4	0	0	0	112.6	P296 I297 D592 N593 G594 L603 I604	P296-N596 HydrophobicContact CG-CB 3.8Å; P296-N596 WeakPolarHBondContact CG-ND2 3.33Å; I297-N596 HydrophobicContact CG1-CB 4.38Å; D592-N596 PolarHBondContact O-ND2 3.35Å; N593-N596 WeakPolarHBondContact O-CB 3.22Å; N593-N596 PolarHBondContact O-N 3.42Å; N593-N596 VanDerWaalsContact O-N 3.13Å; N593-N596 PolarHBondContact O-ND2 3.26Å; G594-N596 PolarHBondContact O-N 3.48Å; N596-L603 HydrophobicContact CB-CD1 3.62Å; N596-L603 WeakPolarHBondContact O-CA 3.18Å; N596-I604 PolarHBondContact O-N 3.36Å; N596-I604 VanDerWaalsContact O-O 3.12Å
597	F	98.6	Very high	98	Very high	8 Å²	8	26 Å²	26	4%	0.035	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-103.3	138.6	177.9	-64.3	-97.9	0	0	0	110.2	D209 P296 K472 A548 G594 R595 G601 D602 L603 W606	D209-F597 HydrophobicContact CB-CE1 4.11Å; P296-F597 HydrophobicContact CB-CE2 4.29Å; P296-F597 HydrophobicContact CB-CZ 4.44Å; P296-F597 HydrophobicContact CG-CE2 4.2Å; K472-F597 WeakPolarHBondContact CD-O 3.48Å; K472-F597 VanDerWaalsContact CE-O 3.29Å; K472-F597 WeakPolarHBondContact CE-O 3.43Å; K472-F597 PolarHBondContact NZ-O 2.85Å; A548-F597 HydrophobicContact CB-CB 4.39Å; A548-F597 HydrophobicContact CB-CD1 4.2Å; A548-F597 HydrophobicContact CB-CD2 3.63Å; A548-F597 HydrophobicContact CB-CE1 4.38Å; A548-F597 HydrophobicContact CB-CE2 3.85Å; A548-F597 HydrophobicContact CB-CG 3.81Å; A548-F597 HydrophobicContact CB-CZ 4.22Å; G594-F597 PolarHBondContact O-N 3.14Å; R595-F597 VanDerWaalsContact C-N 3.26Å; R595-F597 PolarHBondContact O-N 3.49Å; F597-G601 WeakPolarHBondContact CD1-O 3.48Å; F597-D602 CarbonylContact C-O 3.54Å; F597-D602 VanDerWaalsContact CA-O 3.3Å; F597-D602 WeakPolarHBondContact CA-O 3.35Å; F597-L603 HydrophobicContact CD1-CB 4.07Å; F597-L603 HydrophobicContact CD2-CD1 4.42Å; F597-L603 HydrophobicContact CE1-CB 3.84Å; F597-L603 HydrophobicContact CE1-CD1 4.35Å; F597-L603 HydrophobicContact CE2-CD1 4.1Å; F597-L603 HydrophobicContact CZ-CB 4.34Å; F597-L603 HydrophobicContact CZ-CD1 4.07Å; F597-W606 VanDerWaalsContact C-NE1 3.34Å; F597-W606 PolarHBondContact O-NE1 3.19Å
598	N	98.3	Very high	98	Very high	16 Å²	16	27.5 Å²	27.5	9%	0.086	14%	0.141	C	C	.	.			trans	-79	-172.2	178.1	74.3	2.3	0	0	0	112.2	N600 G601 D602	N598-N600 PolarHBondContact O-N 2.93Å; N598-N600 WeakPolarHBondContact OD1-CA 3.46Å; N598-N600 WeakPolarHBondContact OD1-CB 3.24Å; N598-N600 PolarHBondContact OD1-N 3.35Å; N598-G601 PolarHBondContact O-N 3.41Å; N598-G601 PolarHBondContact OD1-N 2.99Å; N598-D602 PolarHBondContact N-O 3.02Å; N598-D602 PolarHBondContact OD1-N 3.37Å; N598-D602 PolarHBondContact OD1-O 3.45Å
599	E	98.3	Very high	98	Very high	64 Å²	64	35 Å²	35	30%	0.299	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.9	178.8	75	-77.6	-178.6	0	0	114.4	K472 A475 N551	K472-E599 HydrophobicContact CB-CB 4.29Å; A475-E599 HydrophobicContact CB-CB 3.73Å; A475-E599 HydrophobicContact CB-CG 4.45Å; N551-E599 PolarHBondContact ND2-O 3.25Å
600	N	97.8	Very high	97.9	Very high	64 Å²	64	41.2 Å²	41.2	34%	0.342	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-13.4	177.2	-63.3	-60.5	0	0	0	112.3	S212 K532 N598	S212-N600 PolarHBondContact OG-O 3.49Å; K532-N600 PolarHBondContact NZ-O 3.38Å; N598-N600 PolarHBondContact O-N 2.93Å; N598-N600 WeakPolarHBondContact OD1-CA 3.46Å; N598-N600 WeakPolarHBondContact OD1-CB 3.24Å; N598-N600 PolarHBondContact OD1-N 3.35Å
601	G	97.9	Very high	97.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	88.3	20.7	-173.9	0	0	0	0	0	113.8	S212 A548 S549 F597 N598	S212-G601 WeakPolarHBondContact CB-O 3.32Å; A548-G601 WeakPolarHBondContact O-CA 3.18Å; S549-G601 WeakPolarHBondContact CA-O 3.42Å; F597-G601 WeakPolarHBondContact CD1-O 3.48Å; N598-G601 PolarHBondContact O-N 3.41Å; N598-G601 PolarHBondContact OD1-N 2.99Å
602	D	98.6	Very high	97.9	Very high	25 Å²	25	41.4 Å²	41.4	13%	0.134	21%	0.208	C	C	.	.			trans	-93.2	134.9	173.1	-52.4	-49.7	0	0	0	110.5	D209 S212 F597 N598 I604	D209-D602 CarbonylContact O-C 3.59Å; D209-D602 WeakPolarHBondContact O-CA 3.43Å; S212-D602 WeakPolarHBondContact CB-OD1 3.37Å; S212-D602 PolarHBondContact N-OD1 3.35Å; S212-D602 PolarHBondContact OG-OD1 2.86Å; F597-D602 CarbonylContact C-O 3.54Å; F597-D602 VanDerWaalsContact CA-O 3.3Å; F597-D602 WeakPolarHBondContact CA-O 3.35Å; N598-D602 PolarHBondContact N-O 3.02Å; N598-D602 PolarHBondContact OD1-N 3.37Å; N598-D602 PolarHBondContact OD1-O 3.45Å; D602-I604 HydrophobicContact CB-CD1 3.9Å; D602-I604 HydrophobicContact CB-CG1 4.08Å; D602-I604 PolarHBondContact O-N 2.89Å
603	L	98.3	Very high	97.9	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-70.6	91.5	176.1	179.8	69.4	0	0	0	110.1	D209 K210 P296 I297 Y300 N596 F597	D209-L603 HydrophobicContact CB-CB 3.98Å; D209-L603 HydrophobicContact CB-CD2 4.01Å; D209-L603 VanDerWaalsContact O-CB 3.28Å; D209-L603 WeakPolarHBondContact O-CB 3.27Å; D209-L603 PolarHBondContact O-N 3.21Å; K210-L603 HydrophobicContact CG-CB 4.07Å; K210-L603 HydrophobicContact CG-CD2 4.29Å; K210-L603 HydrophobicContact CG-CG 4.48Å; P296-L603 HydrophobicContact CB-CD1 3.88Å; P296-L603 HydrophobicContact CB-CD2 4.42Å; P296-L603 HydrophobicContact CG-CD1 3.83Å; P296-L603 WeakPolarHBondContact O-CD2 3.48Å; I297-L603 HydrophobicContact CD1-CD1 3.5Å; I297-L603 HydrophobicContact CD1-CD2 4.17Å; I297-L603 HydrophobicContact CD1-CG 3.62Å; I297-L603 HydrophobicContact CG1-CD1 4.11Å; Y300-L603 HydrophobicContact CD2-CD2 4.27Å; Y300-L603 HydrophobicContact CG-CD2 4.14Å; N596-L603 HydrophobicContact CB-CD1 3.62Å; N596-L603 WeakPolarHBondContact O-CA 3.18Å; F597-L603 HydrophobicContact CD1-CB 4.07Å; F597-L603 HydrophobicContact CD2-CD1 4.42Å; F597-L603 HydrophobicContact CE1-CB 3.84Å; F597-L603 HydrophobicContact CE1-CD1 4.35Å; F597-L603 HydrophobicContact CE2-CD1 4.1Å; F597-L603 HydrophobicContact CZ-CB 4.34Å; F597-L603 HydrophobicContact CZ-CD1 4.07Å
604	I	96.5	Very high	98	Very high	81 Å²	81	43.4 Å²	43.4	42%	0.415	22%	0.215	S	C	.	.			trans	-141.2	133.9	-175.7	-61.1	178.9	0	0	0	107.4	N596 D602 W606	N596-I604 PolarHBondContact O-N 3.36Å; N596-I604 VanDerWaalsContact O-O 3.12Å; D602-I604 HydrophobicContact CB-CD1 3.9Å; D602-I604 HydrophobicContact CB-CG1 4.08Å; D602-I604 PolarHBondContact O-N 2.89Å; I604-W606 PolarHBondContact O-N 3.43Å; I604-W606 VanDerWaalsContact O-N 3.11Å
605	D	94.4	Very high	98	Very high	108 Å²	108	43.5 Å²	43.5	58%	0.578	22%	0.215	S	C	*	.			trans	-71.9	108.7	173.3	-166.6	1.9	0	0	0	110	W607	D605-W607 PolarHBondContact OD1-N 3.09Å
606	W	97.7	Very high	98	Very high	17 Å²	17	48.3 Å²	48.3	6%	0.064	24%	0.237	C	C	.	.			trans	-107.5	2.2	177.5	56.6	-99.4	0	0	0	112.1	T465 K468 A469 K472 F590 R595 F597 I604	T465-W606 HydrophobicContact CG2-CE3 4.48Å; T465-W606 HydrophobicContact CG2-CZ3 4.11Å; K468-W606 HydrophobicContact CB-CD2 4.46Å; K468-W606 HydrophobicContact CB-CE3 3.63Å; K468-W606 HydrophobicContact CB-CZ3 4.11Å; K468-W606 HydrophobicContact CD-CB 4.1Å; K468-W606 HydrophobicContact CD-CE3 4.37Å; K468-W606 WeakPolarHBondContact CD-O 3.43Å; K468-W606 PolarHBondContact NZ-O 3Å; A469-W606 HydrophobicContact CB-CH2 4.24Å; A469-W606 HydrophobicContact CB-CZ3 4.17Å; K472-W606 HydrophobicContact CD-CZ2 4.02Å; F590-W606 HydrophobicContact CD1-CH2 4.14Å; F590-W606 HydrophobicContact CE1-CH2 4.24Å; R595-W606 WeakPolarHBondContact O-CZ2 3.42Å; R595-W606 PolarHBondContact O-NE1 3.34Å; F597-W606 VanDerWaalsContact C-NE1 3.34Å; F597-W606 PolarHBondContact O-NE1 3.19Å; I604-W606 PolarHBondContact O-N 3.43Å; I604-W606 VanDerWaalsContact O-N 3.11Å
607	W	98.3	Very high	98	Very high	14 Å²	14	53.1 Å²	53.1	5%	0.053	26%	0.259	C	S	.	.	S	Bend	trans	-89.9	152.9	178.9	-67.2	65.2	0	0	0	111	W460 M461 T465 R595 D605 A612 F615 W750	W460-W607 HydrophobicContact CH2-CH2 4.07Å; W460-W607 HydrophobicContact CH2-CZ3 4.16Å; W460-W607 HydrophobicContact CZ3-CH2 4.19Å; W460-W607 AromaticContact CZ3-CZ3 3.81Å; W460-W607 HydrophobicContact CZ3-CZ3 3.81Å; M461-W607 HydrophobicContact CE-CH2 3.97Å; M461-W607 HydrophobicContact CE-CZ3 4.02Å; T465-W607 HydrophobicContact CG2-CB 4.4Å; T465-W607 HydrophobicContact CG2-CD2 3.72Å; T465-W607 HydrophobicContact CG2-CE3 3.53Å; T465-W607 HydrophobicContact CG2-CG 4.13Å; T465-W607 HydrophobicContact CG2-CZ3 3.98Å; R595-W607 HydrophobicContact CB-CZ2 3.67Å; R595-W607 HydrophobicContact CG-CZ2 4.39Å; R595-W607 PolarHBondContact O-NE1 2.98Å; D605-W607 PolarHBondContact OD1-N 3.09Å; W607-A612 HydrophobicContact CB-CB 4.07Å; W607-F615 HydrophobicContact CH2-CB 4.41Å; W607-F615 AromaticContact CH2-CD2 3.84Å; W607-F615 HydrophobicContact CH2-CD2 3.84Å; W607-F615 HydrophobicContact CH2-CG 4.39Å; W607-F615 HydrophobicContact CZ3-CB 4.01Å; W607-F615 HydrophobicContact CZ3-CD2 4.29Å; W607-F615 HydrophobicContact CZ3-CG 4.46Å; W607-W750 AromaticContact CH2-CH2 3.65Å; W607-W750 HydrophobicContact CH2-CH2 3.65Å; W607-W750 AromaticContact CH2-CZ2 3.88Å; W607-W750 HydrophobicContact CH2-CZ2 3.88Å; W607-W750 HydrophobicContact CZ2-CH2 4.1Å; W607-W750 HydrophobicContact CZ2-CZ2 4.25Å
608	T	98.3	Very high	98	Very high	31 Å²	31	55.7 Å²	55.7	19%	0.19	27%	0.271	C	S	.	.			trans	-75	158.2	160.4	71.3	0	0	0	0	109.7	D462 T465 E610 S611 A612	D462-T608 WeakPolarHBondContact OD2-CB 3.21Å; D462-T608 VanDerWaalsContact OD2-CG2 3.23Å; D462-T608 WeakPolarHBondContact OD2-CG2 3.43Å; D462-T608 PolarHBondContact OD2-OG1 3.38Å; T465-T608 PolarHBondContact OG1-N 2.78Å; T608-E610 VanDerWaalsContact C-N 3.28Å; T608-E610 PolarHBondContact O-N 3.4Å; T608-S611 PolarHBondContact O-N 3.22Å; T608-S611 WeakPolarHBondContact OG1-CB 3.46Å; T608-S611 PolarHBondContact OG1-N 3.21Å; T608-S611 VanDerWaalsContact OG1-N 3.15Å; T608-A612 WeakPolarHBondContact O-CB 3.47Å; T608-A612 PolarHBondContact O-N 2.95Å
609	E	97.8	Very high	98	Very high	177 Å²	177	55.3 Å²	55.3	83%	0.827	27%	0.27	S	S	*	.	H	α-helix	trans	-57.7	-41.6	176.7	-173.4	177.3	-178.8	0	0	112	A612 H613	E609-A612 PolarHBondContact O-N 3.08Å; E609-H613 WeakPolarHBondContact O-CB 3.34Å; E609-H613 PolarHBondContact O-N 2.95Å
610	E	98.1	Very high	98	Very high	130 Å²	130	55.7 Å²	55.7	61%	0.607	27%	0.272	S	S	*	.	H	α-helix	trans	-63.8	-50.4	178.7	-175.3	178.8	177	0	0	111.7	T608 A612 H613 N614	T608-E610 VanDerWaalsContact C-N 3.28Å; T608-E610 PolarHBondContact O-N 3.4Å; E610-A612 VanDerWaalsContact C-N 3.32Å; E610-A612 PolarHBondContact O-N 3.26Å; E610-H613 PolarHBondContact O-N 2.93Å; E610-N614 WeakPolarHBondContact O-CB 3.5Å; E610-N614 PolarHBondContact O-N 2.81Å; E610-N614 PolarHBondContact O-ND2 2.97Å; E610-N614 PolarHBondContact O-OD1 2.92Å
611	S	98.6	Very high	98.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.1	-35.9	178.9	-73.7	0	0	0	0	112.2	M461 D462 T465 T608 N614 F615	M461-S611 WeakPolarHBondContact CA-OG 3.45Å; D462-S611 PolarHBondContact N-OG 3.13Å; D462-S611 WeakPolarHBondContact OD2-CB 3.42Å; D462-S611 PolarHBondContact OD2-OG 3.24Å; T465-S611 WeakPolarHBondContact OG1-CB 3.24Å; T465-S611 PolarHBondContact OG1-OG 3.37Å; T608-S611 PolarHBondContact O-N 3.22Å; T608-S611 WeakPolarHBondContact OG1-CB 3.46Å; T608-S611 PolarHBondContact OG1-N 3.21Å; T608-S611 VanDerWaalsContact OG1-N 3.15Å; S611-N614 PolarHBondContact O-N 3.05Å; S611-F615 WeakPolarHBondContact O-CB 3.49Å; S611-F615 PolarHBondContact O-N 3.35Å
612	A	98.3	Very high	98.1	Very high	15 Å²	15	54.9 Å²	54.9	12%	0.124	27%	0.27	C	S	.	.	H	α-helix	trans	-67.8	-39	176.1	0	0	0	0	0	112.1	W607 T608 E609 E610 K616	W607-A612 HydrophobicContact CB-CB 4.07Å; T608-A612 WeakPolarHBondContact O-CB 3.47Å; T608-A612 PolarHBondContact O-N 2.95Å; E609-A612 PolarHBondContact O-N 3.08Å; E610-A612 VanDerWaalsContact C-N 3.32Å; E610-A612 PolarHBondContact O-N 3.26Å; A612-K616 PolarHBondContact O-N 3.48Å
613	H	98.3	Very high	98.1	Very high	104 Å²	104	54.5 Å²	54.5	48%	0.481	27%	0.268	S	S	.	.	H	α-helix	trans	-63.4	-49.6	172.4	179.4	-92.1	0	0	0	111.1	E609 E610 F615 K616 E617	E609-H613 WeakPolarHBondContact O-CB 3.34Å; E609-H613 PolarHBondContact O-N 2.95Å; E610-H613 PolarHBondContact O-N 2.93Å; H613-F615 VanDerWaalsContact C-N 3.3Å; H613-F615 PolarHBondContact O-N 3.35Å; H613-K616 WeakPolarHBondContact O-CA 3.32Å; H613-K616 WeakPolarHBondContact O-CB 3.32Å; H613-K616 PolarHBondContact O-N 3.28Å; H613-E617 IonicContact CE1-OE1 3.78Å; H613-E617 PolarHBondContact CE1-OE1 3.04Å; H613-E617 IonicContact CE1-OE2 2.77Å; H613-E617 IonicContact ND1-OE1 3.58Å; H613-E617 IonicContact ND1-OE2 3.9Å; H613-E617 PolarHBondContact O-N 2.8Å
614	N	98.6	Very high	98.1	Very high	29 Å²	29	61.6 Å²	61.6	16%	0.155	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-37.5	179.5	-66.4	-9.2	0	0	0	111.9	W460 E610 S611 K616 E617 Q618	W460-N614 HydrophobicContact CB-CB 4.23Å; W460-N614 HydrophobicContact CE3-CB 4.06Å; W460-N614 WeakPolarHBondContact O-CB 3.5Å; W460-N614 PolarHBondContact O-ND2 3.5Å; E610-N614 WeakPolarHBondContact O-CB 3.5Å; E610-N614 PolarHBondContact O-N 2.81Å; E610-N614 PolarHBondContact O-ND2 2.97Å; E610-N614 PolarHBondContact O-OD1 2.92Å; S611-N614 PolarHBondContact O-N 3.05Å; N614-K616 VanDerWaalsContact C-N 3.31Å; N614-K616 PolarHBondContact O-N 2.83Å; N614-E617 PolarHBondContact O-N 3.11Å; N614-Q618 WeakPolarHBondContact O-CG 3.43Å; N614-Q618 PolarHBondContact O-N 3.3Å
615	F	98.8	Very high	98.2	Very high	3 Å²	3	59 Å²	59	1%	0.013	28%	0.282	C	S	.	.	H	α-helix	trans	-55.9	-46.7	172.1	178.9	-87.8	0	0	0	111.5	W460 F590 D592 W607 S611 H613 E617 Q618 S619 I649 V749 W750	W460-F615 HydrophobicContact CH2-CB 4.43Å; W460-F615 AromaticContact CH2-CD2 3.85Å; W460-F615 HydrophobicContact CH2-CD2 3.85Å; W460-F615 HydrophobicContact CZ3-CB 3.81Å; W460-F615 HydrophobicContact CZ3-CD2 4.1Å; W460-F615 HydrophobicContact CZ3-CG 4.47Å; F590-F615 WeakPolarHBondContact O-CE2 3.3Å; D592-F615 HydrophobicContact CB-CE1 4.08Å; D592-F615 HydrophobicContact CB-CZ 4.41Å; W607-F615 HydrophobicContact CH2-CB 4.41Å; W607-F615 AromaticContact CH2-CD2 3.84Å; W607-F615 HydrophobicContact CH2-CD2 3.84Å; W607-F615 HydrophobicContact CH2-CG 4.39Å; W607-F615 HydrophobicContact CZ3-CB 4.01Å; W607-F615 HydrophobicContact CZ3-CD2 4.29Å; W607-F615 HydrophobicContact CZ3-CG 4.46Å; S611-F615 WeakPolarHBondContact O-CB 3.49Å; S611-F615 PolarHBondContact O-N 3.35Å; H613-F615 VanDerWaalsContact C-N 3.3Å; H613-F615 PolarHBondContact O-N 3.35Å; F615-E617 VanDerWaalsContact C-N 3.35Å; F615-Q618 PolarHBondContact O-N 3.05Å; F615-S619 WeakPolarHBondContact O-CB 3.23Å; F615-S619 PolarHBondContact O-N 3.32Å; F615-S619 PolarHBondContact O-OG 3.32Å; F615-I649 HydrophobicContact CZ-CD1 4.03Å; F615-V749 HydrophobicContact CD2-CG1 3.89Å; F615-V749 HydrophobicContact CE2-CG1 3.64Å; F615-V749 HydrophobicContact CZ-CG1 4.49Å; F615-W750 HydrophobicContact CD2-CZ2 4.11Å; F615-W750 AromaticContact CE2-CZ2 3.87Å; F615-W750 HydrophobicContact CE2-CZ2 3.87Å
616	K	98.1	Very high	98.4	Very high	118 Å²	118	53.8 Å²	53.8	51%	0.513	26%	0.255	S	S	.	.	H	α-helix	trans	-63.1	-41.8	177.3	-68.8	177.9	179	-178	0	111	A612 H613 N614 S619 Q620	A612-K616 PolarHBondContact O-N 3.48Å; H613-K616 WeakPolarHBondContact O-CA 3.32Å; H613-K616 WeakPolarHBondContact O-CB 3.32Å; H613-K616 PolarHBondContact O-N 3.28Å; N614-K616 VanDerWaalsContact C-N 3.31Å; N614-K616 PolarHBondContact O-N 2.83Å; K616-S619 WeakPolarHBondContact CA-OG 3.4Å; K616-S619 PolarHBondContact O-OG 3.34Å; K616-S619 VanDerWaalsContact O-OG 3.12Å; K616-Q620 VanDerWaalsContact O-CB 3.22Å; K616-Q620 WeakPolarHBondContact O-CB 3.28Å; K616-Q620 PolarHBondContact O-N 2.7Å
617	E	98.2	Very high	98.5	Very high	108 Å²	108	53.9 Å²	53.9	51%	0.505	26%	0.261	S	S	.	.	H	α-helix	trans	-61.2	-45.9	175.8	-67.8	-169.6	140.4	0	0	112.8	H613 N614 F615	H613-E617 IonicContact CE1-OE1 3.78Å; H613-E617 PolarHBondContact CE1-OE1 3.04Å; H613-E617 IonicContact CE1-OE2 2.77Å; H613-E617 IonicContact ND1-OE1 3.58Å; H613-E617 IonicContact ND1-OE2 3.9Å; H613-E617 PolarHBondContact O-N 2.8Å; N614-E617 PolarHBondContact O-N 3.11Å; F615-E617 VanDerWaalsContact C-N 3.35Å
618	Q	98.6	Very high	98.5	Very high	63 Å²	63	58.9 Å²	58.9	29%	0.294	29%	0.288	S	S	.	.	H	α-helix	trans	-66.1	-45.5	178.8	-63.1	-50	-36.4	0	0	111.8	W460 N614 F615 Q620 C621 R748 V749	W460-Q618 HydrophobicContact CB-CG 4.25Å; W460-Q618 HydrophobicContact CD2-CG 4Å; W460-Q618 HydrophobicContact CE3-CG 4.48Å; W460-Q618 HydrophobicContact CG-CG 3.85Å; N614-Q618 WeakPolarHBondContact O-CG 3.43Å; N614-Q618 PolarHBondContact O-N 3.3Å; F615-Q618 PolarHBondContact O-N 3.05Å; Q618-Q620 VanDerWaalsContact C-N 3.32Å; Q618-Q620 PolarHBondContact O-N 2.79Å; Q618-C621 VanDerWaalsContact O-CB 3.28Å; Q618-C621 WeakPolarHBondContact O-CB 3.27Å; Q618-C621 PolarHBondContact O-N 3.24Å; Q618-R748 PolarHBondContact OE1-O 3.44Å; Q618-V749 HydrophobicContact CB-CG2 4.04Å
619	S	98.5	Very high	98.5	Very high	7 Å²	7	58.1 Å²	58.1	5%	0.049	28%	0.282	C	S	.	.	H	α-helix	trans	-68.4	-30.4	-179	55.7	0	0	0	0	112.7	F615 K616 C621 M622 V623	F615-S619 WeakPolarHBondContact O-CB 3.23Å; F615-S619 PolarHBondContact O-N 3.32Å; F615-S619 PolarHBondContact O-OG 3.32Å; K616-S619 WeakPolarHBondContact CA-OG 3.4Å; K616-S619 PolarHBondContact O-OG 3.34Å; K616-S619 VanDerWaalsContact O-OG 3.12Å; S619-C621 PolarHBondContact O-N 3.03Å; S619-M622 PolarHBondContact O-N 3.05Å; S619-V623 PolarHBondContact O-N 2.99Å; S619-V623 VanDerWaalsContact O-N 3.15Å
620	Q	98.6	Very high	98.5	Very high	73 Å²	73	52.4 Å²	52.4	34%	0.341	26%	0.262	S	S	.	.	H	α-helix	trans	-58.6	-29.5	175.2	-171.8	61.7	55.1	0	0	112.8	K616 Q618 M622 V623 Y624	K616-Q620 VanDerWaalsContact O-CB 3.22Å; K616-Q620 WeakPolarHBondContact O-CB 3.28Å; K616-Q620 PolarHBondContact O-N 2.7Å; Q618-Q620 VanDerWaalsContact C-N 3.32Å; Q618-Q620 PolarHBondContact O-N 2.79Å; Q620-M622 VanDerWaalsContact C-N 3.33Å; Q620-M622 PolarHBondContact O-N 3.19Å; Q620-V623 PolarHBondContact O-N 3.27Å; Q620-Y624 HydrophobicContact CG-CD2 3.99Å; Q620-Y624 HydrophobicContact CG-CE2 3.43Å; Q620-Y624 VanDerWaalsContact CG-CE2 3.43Å; Q620-Y624 PolarHBondContact NE2-OH 2.8Å; Q620-Y624 WeakPolarHBondContact O-CD2 3.28Å; Q620-Y624 PolarHBondContact O-N 3.25Å; Q620-Y624 VanDerWaalsContact O-N 3.14Å
621	C	98.8	Very high	98.6	Very high	44 Å²	44	46.5 Å²	46.5	30%	0.297	23%	0.234	S	C	.	.	H	α-helix	trans	-57.3	-46.4	171.9	-174.6	0	0	0	0	111.4	Q618 S619 Y624 Q625 C747	Q618-C621 VanDerWaalsContact O-CB 3.28Å; Q618-C621 WeakPolarHBondContact O-CB 3.27Å; Q618-C621 PolarHBondContact O-N 3.24Å; S619-C621 PolarHBondContact O-N 3.03Å; C621-Y624 PolarHBondContact O-N 3.29Å; C621-Q625 WeakPolarHBondContact O-CB 3.36Å; C621-Q625 PolarHBondContact O-N 3.39Å; C621-C747 HydrophobicContact CB-CB 3.69Å; C621-C747 WeakPolarHBondContact CB-SG 3.3Å; C621-C747 PolarHBondContact O-SG 3.05Å; C621-C747 VanDerWaalsContact O-SG 3.34Å; C621-C747 WeakPolarHBondContact SG-CA 3.31Å; C621-C747 WeakPolarHBondContact SG-CB 3.35Å; C621-C747 CovalentContact SG-SG 2.04Å; C621-C747 PolarHBondContact SG-SG 3.21Å
622	M	98.8	Very high	98.5	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-70.7	-35.8	-179.8	-65.6	-175.3	-177.5	0	0	111.8	S619 Q620 Y624 Q625 Y626 L645 I649 N652 C747 V749	S619-M622 PolarHBondContact O-N 3.05Å; Q620-M622 VanDerWaalsContact C-N 3.33Å; Q620-M622 PolarHBondContact O-N 3.19Å; M622-Y624 VanDerWaalsContact C-N 3.28Å; M622-Y624 PolarHBondContact O-N 2.72Å; M622-Q625 PolarHBondContact O-N 3.23Å; M622-Y626 HydrophobicContact CB-CD2 4.34Å; M622-Y626 WeakPolarHBondContact O-CD2 3.39Å; M622-Y626 PolarHBondContact O-N 2.83Å; M622-L645 HydrophobicContact CB-CD1 4.02Å; M622-I649 HydrophobicContact SD-CG1 3.92Å; M622-N652 HydrophobicContact CE-CB 3.58Å; M622-N652 HydrophobicContact SD-CB 4.35Å; M622-C747 HydrophobicContact CE-CB 4.03Å; M622-C747 HydrophobicContact CG-CB 3.56Å; M622-V749 HydrophobicContact CE-CG2 4.26Å; M622-V749 HydrophobicContact SD-CG2 4.45Å
623	V	98.7	Very high	98.5	Very high	17 Å²	17	53.1 Å²	53.1	10%	0.103	27%	0.268	C	S	.	.	H	α-helix	trans	-54.2	-48.3	172.1	175.4	0	0	0	0	110.5	S619 Q620 G627 I642 L645	S619-V623 PolarHBondContact O-N 2.99Å; S619-V623 VanDerWaalsContact O-N 3.15Å; Q620-V623 PolarHBondContact O-N 3.27Å; V623-G627 WeakPolarHBondContact O-CA 3.33Å; V623-G627 PolarHBondContact O-N 2.98Å; V623-I642 HydrophobicContact CG1-CG1 3.78Å; V623-L645 HydrophobicContact CG2-CD1 3.73Å; V623-L645 HydrophobicContact CG2-CD2 3.75Å; V623-L645 HydrophobicContact CG2-CG 4.22Å
624	Y	98.8	Very high	98.5	Very high	153 Å²	153	48.3 Å²	48.3	60%	0.6	25%	0.245	S	C	*	.	H	α-helix	trans	-71.4	-40.4	178.8	-65.5	-47.1	0	0	0	113.1	Q620 C621 M622 N628	Q620-Y624 HydrophobicContact CG-CD2 3.99Å; Q620-Y624 HydrophobicContact CG-CE2 3.43Å; Q620-Y624 VanDerWaalsContact CG-CE2 3.43Å; Q620-Y624 PolarHBondContact NE2-OH 2.8Å; Q620-Y624 WeakPolarHBondContact O-CD2 3.28Å; Q620-Y624 PolarHBondContact O-N 3.25Å; Q620-Y624 VanDerWaalsContact O-N 3.14Å; C621-Y624 PolarHBondContact O-N 3.29Å; M622-Y624 VanDerWaalsContact C-N 3.28Å; M622-Y624 PolarHBondContact O-N 2.72Å; Y624-N628 WeakPolarHBondContact O-CB 3.33Å; Y624-N628 VanDerWaalsContact O-CG 3.29Å; Y624-N628 PolarHBondContact O-N 3.18Å; Y624-N628 VanDerWaalsContact O-N 3.11Å; Y624-N628 PolarHBondContact O-ND2 3.42Å; Y624-N628 VanDerWaalsContact O-ND2 3.08Å
625	Q	98.8	Very high	98.4	Very high	25 Å²	25	50.4 Å²	50.4	12%	0.117	27%	0.274	C	S	.	.	H	α-helix	trans	-58.8	-55.8	178.6	-176.7	-171.3	12.9	0	0	110.7	C621 M622 N628 F629 G721 N725	C621-Q625 WeakPolarHBondContact O-CB 3.36Å; C621-Q625 PolarHBondContact O-N 3.39Å; M622-Q625 PolarHBondContact O-N 3.23Å; Q625-N628 PolarHBondContact O-N 2.95Å; Q625-F629 HydrophobicContact CG-CE2 4.43Å; Q625-F629 HydrophobicContact CG-CZ 4.23Å; Q625-G721 PolarHBondContact NE2-O 3.5Å; Q625-G721 VanDerWaalsContact NE2-O 3.16Å; Q625-N725 PolarHBondContact NE2-ND2 3.29Å; Q625-N725 PolarHBondContact NE2-OD1 3.39Å; Q625-N725 PolarHBondContact OE1-ND2 3.12Å; Q625-N725 PolarHBondContact OE1-OD1 3.34Å
626	Y	98.8	Very high	98.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-72.7	-35.1	-176.7	-77.2	-93.9	0	0	0	112.2	M622 N628 F629 L639 N648 N652 S713 F717 S722	M622-Y626 HydrophobicContact CB-CD2 4.34Å; M622-Y626 WeakPolarHBondContact O-CD2 3.39Å; M622-Y626 PolarHBondContact O-N 2.83Å; Y626-N628 PolarHBondContact O-N 3.3Å; Y626-F629 AromaticContact CD1-CD2 3.78Å; Y626-F629 HydrophobicContact CD1-CD2 3.78Å; Y626-F629 AromaticContact CD1-CE2 3.71Å; Y626-F629 HydrophobicContact CD1-CE2 3.71Å; Y626-F629 HydrophobicContact CE1-CD2 4.42Å; Y626-F629 AromaticContact CE1-CE2 4Å; Y626-F629 HydrophobicContact CE1-CE2 4Å; Y626-F629 HydrophobicContact CG-CD2 4.19Å; Y626-F629 HydrophobicContact CG-CE2 4.06Å; Y626-F629 WeakPolarHBondContact O-CB 3.41Å; Y626-F629 PolarHBondContact O-N 3.2Å; Y626-L639 HydrophobicContact CD1-CD1 4.48Å; Y626-N648 WeakPolarHBondContact CD1-OD1 3.48Å; Y626-N648 HydrophobicContact CD2-CB 3.96Å; Y626-N648 WeakPolarHBondContact CD2-ND2 3.31Å; Y626-N648 HydrophobicContact CE1-CB 4.38Å; Y626-N648 VanDerWaalsContact CE1-OD1 3.29Å; Y626-N648 WeakPolarHBondContact CE1-OD1 3.45Å; Y626-N648 HydrophobicContact CE2-CB 3.67Å; Y626-N648 HydrophobicContact CG-CB 4.41Å; Y626-N652 PolarHBondContact OH-ND2 3.41Å; Y626-S713 VanDerWaalsContact CD1-OG 3.27Å; Y626-S713 WeakPolarHBondContact CD1-OG 3.5Å; Y626-F717 WeakPolarHBondContact CE1-O 3.28Å; Y626-S722 PolarHBondContact OH-N 2.68Å; Y626-S722 PolarHBondContact OH-OG 3.22Å
627	G	98.6	Very high	98.3	Very high	19 Å²	19	48.5 Å²	48.5	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-20.5	172.4	0	0	0	0	0	114.1	V623 H638	V623-G627 WeakPolarHBondContact O-CA 3.33Å; V623-G627 PolarHBondContact O-N 2.98Å; G627-H638 WeakPolarHBondContact O-CB 3.35Å; G627-H638 PolarHBondContact O-ND1 2.83Å
628	N	98.5	Very high	98.3	Very high	118 Å²	118	48.1 Å²	48.1	63%	0.631	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-9.9	174.6	-80	-33.2	0	0	0	113.8	Y624 Q625 Y626 S630 H638	Y624-N628 WeakPolarHBondContact O-CB 3.33Å; Y624-N628 VanDerWaalsContact O-CG 3.29Å; Y624-N628 PolarHBondContact O-N 3.18Å; Y624-N628 VanDerWaalsContact O-N 3.11Å; Y624-N628 PolarHBondContact O-ND2 3.42Å; Y624-N628 VanDerWaalsContact O-ND2 3.08Å; Q625-N628 PolarHBondContact O-N 2.95Å; Y626-N628 PolarHBondContact O-N 3.3Å; N628-S630 PolarHBondContact O-N 3.48Å; N628-H638 PolarHBondContact O-CE1 3.1Å
629	F	98.7	Very high	98.3	Very high	15 Å²	15	45.6 Å²	45.6	7%	0.066	26%	0.262	C	S	.	.			trans	-74.7	116.5	174.3	-65.6	-41.9	0	0	0	110.7	Q625 Y626 H638 L639 F717 I720	Q625-F629 HydrophobicContact CG-CE2 4.43Å; Q625-F629 HydrophobicContact CG-CZ 4.23Å; Y626-F629 AromaticContact CD1-CD2 3.78Å; Y626-F629 HydrophobicContact CD1-CD2 3.78Å; Y626-F629 AromaticContact CD1-CE2 3.71Å; Y626-F629 HydrophobicContact CD1-CE2 3.71Å; Y626-F629 HydrophobicContact CE1-CD2 4.42Å; Y626-F629 AromaticContact CE1-CE2 4Å; Y626-F629 HydrophobicContact CE1-CE2 4Å; Y626-F629 HydrophobicContact CG-CD2 4.19Å; Y626-F629 HydrophobicContact CG-CE2 4.06Å; Y626-F629 WeakPolarHBondContact O-CB 3.41Å; Y626-F629 PolarHBondContact O-N 3.2Å; F629-H638 WeakPolarHBondContact O-CA 3.49Å; F629-L639 HydrophobicContact CB-CD1 3.99Å; F629-L639 HydrophobicContact CB-CG 4.17Å; F629-L639 HydrophobicContact CD2-CD1 4.25Å; F629-L639 PolarHBondContact O-N 3.48Å; F629-L639 VanDerWaalsContact O-N 3.11Å; F629-F717 HydrophobicContact CB-CD1 3.68Å; F629-F717 HydrophobicContact CB-CE1 3.7Å; F629-F717 HydrophobicContact CB-CG 4.12Å; F629-F717 HydrophobicContact CB-CZ 4.14Å; F629-F717 AromaticContact CD1-CD1 3.93Å; F629-F717 HydrophobicContact CD1-CD1 3.93Å; F629-F717 HydrophobicContact CD1-CE1 4.1Å; F629-F717 HydrophobicContact CD2-CB 3.98Å; F629-F717 AromaticContact CD2-CD1 3.73Å; F629-F717 HydrophobicContact CD2-CD1 3.73Å; F629-F717 HydrophobicContact CD2-CG 4.04Å; F629-F717 HydrophobicContact CE2-CB 4.4Å; F629-F717 HydrophobicContact CE2-CD1 4.35Å; F629-F717 AromaticContact CG-CD1 3.51Å; F629-F717 HydrophobicContact CG-CD1 3.51Å; F629-F717 AromaticContact CG-CE1 3.88Å; F629-F717 HydrophobicContact CG-CE1 3.88Å; F629-F717 HydrophobicContact CG-CG 4.15Å; F629-I720 HydrophobicContact CE1-CG2 4.15Å; F629-I720 HydrophobicContact CZ-CG2 4.07Å
630	S	98.5	Very high	98.3	Very high	58 Å²	58	46.6 Å²	46.6	41%	0.406	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.8	169.9	177.6	0	0	0	0	109.8	N628 G636 F717	N628-S630 PolarHBondContact O-N 3.48Å; S630-G636 VanDerWaalsContact OG-C 3.27Å; S630-G636 WeakPolarHBondContact OG-CA 3.44Å; S630-G636 PolarHBondContact OG-O 3.02Å; S630-F717 WeakPolarHBondContact O-CZ 3.38Å
631	W	98.4	Very high	98.3	Very high	5 Å²	5	43.3 Å²	43.3	2%	0.019	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	109.3	-178.7	-165.8	15	0	0	0	111.4	L633 A634 G636 Q637 L639 Y698 A703 S706 I707 P714 F717	W631-L633 HydrophobicContact CZ2-CB 4.39Å; W631-L633 HydrophobicContact CZ2-CD1 4.34Å; W631-L633 PolarHBondContact O-N 3.39Å; W631-A634 HydrophobicContact CB-CB 4.17Å; W631-A634 HydrophobicContact CD2-CB 4.09Å; W631-A634 HydrophobicContact CE3-CB 3.75Å; W631-A634 HydrophobicContact CG-CB 4.28Å; W631-A634 HydrophobicContact CZ3-CB 4.49Å; W631-A634 CarbonylContact O-C 3.54Å; W631-A634 PolarHBondContact O-N 3.5Å; W631-A634 VanDerWaalsContact O-N 3.1Å; W631-G636 WeakPolarHBondContact O-CA 3.49Å; W631-G636 PolarHBondContact O-N 2.77Å; W631-Q637 PolarHBondContact N-O 3.05Å; W631-L639 HydrophobicContact CB-CD2 4.34Å; W631-L639 HydrophobicContact CE3-CD2 4.31Å; W631-Y698 AromaticContact CH2-CD1 3.78Å; W631-Y698 HydrophobicContact CH2-CD1 3.78Å; W631-Y698 HydrophobicContact CH2-CD2 4.3Å; W631-Y698 HydrophobicContact CH2-CE1 4.04Å; W631-Y698 AromaticContact CH2-CG 3.93Å; W631-Y698 HydrophobicContact CH2-CG 3.93Å; W631-Y698 HydrophobicContact CZ2-CD1 4.04Å; W631-Y698 AromaticContact CZ2-CD2 3.75Å; W631-Y698 HydrophobicContact CZ2-CD2 3.75Å; W631-Y698 HydrophobicContact CZ2-CE1 4.42Å; W631-Y698 HydrophobicContact CZ2-CE2 4.22Å; W631-Y698 AromaticContact CZ2-CG 3.69Å; W631-Y698 HydrophobicContact CZ2-CG 3.69Å; W631-A703 HydrophobicContact CD2-CB 4.4Å; W631-A703 HydrophobicContact CE3-CB 4.19Å; W631-A703 HydrophobicContact CH2-CB 3.52Å; W631-A703 HydrophobicContact CZ2-CB 3.75Å; W631-A703 HydrophobicContact CZ3-CB 3.74Å; W631-A703 WeakPolarHBondContact CZ3-O 3.37Å; W631-S706 WeakPolarHBondContact CH2-OG 3.27Å; W631-S706 WeakPolarHBondContact CZ3-OG 3.35Å; W631-I707 HydrophobicContact CE3-CB 4.15Å; W631-I707 HydrophobicContact CE3-CD1 4.14Å; W631-I707 HydrophobicContact CE3-CG1 4.26Å; W631-I707 HydrophobicContact CZ3-CB 4.15Å; W631-P714 HydrophobicContact CD2-CB 4.38Å; W631-P714 HydrophobicContact CD2-CG 3.74Å; W631-P714 HydrophobicContact CE3-CG 3.55Å; W631-P714 HydrophobicContact CH2-CB 3.94Å; W631-P714 HydrophobicContact CH2-CG 3.56Å; W631-P714 HydrophobicContact CZ2-CB 3.72Å; W631-P714 HydrophobicContact CZ2-CG 3.73Å; W631-P714 HydrophobicContact CZ3-CB 4.35Å; W631-P714 HydrophobicContact CZ3-CG 3.47Å; W631-P714 VanDerWaalsContact CZ3-CG 3.47Å; W631-F717 HydrophobicContact CB-CE2 3.88Å; W631-F717 HydrophobicContact CB-CZ 4.42Å; W631-F717 AromaticContact CD1-CE2 3.77Å; W631-F717 AromaticContact CG-CE2 3.81Å; W631-F717 HydrophobicContact CG-CE2 3.81Å
632	D	97.9	Very high	98.2	Very high	109 Å²	109	44.6 Å²	44.6	58%	0.583	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-54.9	-44.5	178.8	59.5	-24.8	0	0	0	113.3	A634 G635	D632-A634 PolarHBondContact O-N 3.34Å; D632-G635 PolarHBondContact O-N 3.4Å
633	L	98.1	Very high	98.1	Very high	46 Å²	46	46 Å²	46	24%	0.241	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-65	-25.6	178.6	-59.7	178.2	0	0	0	113.1	W631 G635 P700 A703	W631-L633 HydrophobicContact CZ2-CB 4.39Å; W631-L633 HydrophobicContact CZ2-CD1 4.34Å; W631-L633 PolarHBondContact O-N 3.39Å; L633-G635 VanDerWaalsContact C-N 3.29Å; L633-P700 WeakPolarHBondContact O-CA 3.45Å; L633-A703 HydrophobicContact CB-CB 3.75Å
634	A	98	Very high	98.1	Very high	2 Å²	2	45.5 Å²	45.5	2%	0.017	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-92.9	19.8	174.8	0	0	0	0	0	112.8	W631 D632 Q637 A703 I707	W631-A634 HydrophobicContact CB-CB 4.17Å; W631-A634 HydrophobicContact CD2-CB 4.09Å; W631-A634 HydrophobicContact CE3-CB 3.75Å; W631-A634 HydrophobicContact CG-CB 4.28Å; W631-A634 HydrophobicContact CZ3-CB 4.49Å; W631-A634 CarbonylContact O-C 3.54Å; W631-A634 PolarHBondContact O-N 3.5Å; W631-A634 VanDerWaalsContact O-N 3.1Å; D632-A634 PolarHBondContact O-N 3.34Å; A634-Q637 HydrophobicContact CB-CB 4.3Å; A634-Q637 WeakPolarHBondContact O-CG 3.24Å; A634-Q637 PolarHBondContact O-NE2 2.73Å; A634-A703 HydrophobicContact CB-CB 4.16Å; A634-I707 HydrophobicContact CB-CD1 3.95Å; A634-I707 HydrophobicContact CB-CG2 4.42Å
635	G	96.6	Very high	98.1	Very high	73 Å²	73	38.8 Å²	38.8	75%	0.753	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.1	28.2	179.1	0	0	0	0	0	113.8	D632 L633 Q637	D632-G635 PolarHBondContact O-N 3.4Å; L633-G635 VanDerWaalsContact C-N 3.29Å; G635-Q637 VanDerWaalsContact C-N 3.3Å
636	G	97.4	Very high	98.1	Very high	31 Å²	31	38.1 Å²	38.1	32%	0.32	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	8.3	-178.6	0	0	0	0	0	114.3	S630 W631	S630-G636 VanDerWaalsContact OG-C 3.27Å; S630-G636 WeakPolarHBondContact OG-CA 3.44Å; S630-G636 PolarHBondContact OG-O 3.02Å; W631-G636 WeakPolarHBondContact O-CA 3.49Å; W631-G636 PolarHBondContact O-N 2.77Å
637	Q	97.9	Very high	98.1	Very high	50 Å²	50	39.2 Å²	39.2	23%	0.234	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	145.2	173.4	-74.3	-177.9	75	0	0	111.3	W631 A634 G635 I707 K708	W631-Q637 PolarHBondContact N-O 3.05Å; A634-Q637 HydrophobicContact CB-CB 4.3Å; A634-Q637 WeakPolarHBondContact O-CG 3.24Å; A634-Q637 PolarHBondContact O-NE2 2.73Å; G635-Q637 VanDerWaalsContact C-N 3.3Å; Q637-I707 HydrophobicContact CB-CD1 3.72Å; Q637-K708 VanDerWaalsContact OE1-NZ 3.07Å
638	H	98.4	Very high	98.1	Very high	100 Å²	100	38.3 Å²	38.3	46%	0.463	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	145.9	173.8	-78.4	-112.4	0	0	0	111.1	G627 N628 F629 I707	G627-H638 WeakPolarHBondContact O-CB 3.35Å; G627-H638 PolarHBondContact O-ND1 2.83Å; N628-H638 PolarHBondContact O-CE1 3.1Å; F629-H638 WeakPolarHBondContact O-CA 3.49Å; H638-I707 WeakPolarHBondContact O-CD1 3.47Å
639	L	98.5	Very high	98.1	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.052	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-63.3	152.6	172.2	-51.7	-176.6	0	0	0	110.5	Y626 F629 W631 G641 I707 P714 F717	Y626-L639 HydrophobicContact CD1-CD1 4.48Å; F629-L639 HydrophobicContact CB-CD1 3.99Å; F629-L639 HydrophobicContact CB-CG 4.17Å; F629-L639 HydrophobicContact CD2-CD1 4.25Å; F629-L639 PolarHBondContact O-N 3.48Å; F629-L639 VanDerWaalsContact O-N 3.11Å; W631-L639 HydrophobicContact CB-CD2 4.34Å; W631-L639 HydrophobicContact CE3-CD2 4.31Å; L639-G641 PolarHBondContact O-N 3.1Å; L639-I707 HydrophobicContact CD2-CD1 4.06Å; L639-I707 HydrophobicContact CD2-CG1 4.02Å; L639-P714 HydrophobicContact CD2-CG 3.94Å; L639-F717 HydrophobicContact CD1-CB 3.96Å; L639-F717 HydrophobicContact CD1-CD2 3.77Å; L639-F717 HydrophobicContact CD1-CE2 4.5Å; L639-F717 HydrophobicContact CD1-CG 3.96Å; L639-F717 HydrophobicContact CD2-CD2 4.26Å; L639-F717 HydrophobicContact CD2-CE2 4.44Å; L639-F717 HydrophobicContact CG-CD2 4.38Å
640	S	97.6	Very high	98.1	Very high	28 Å²	28	32 Å²	32	20%	0.196	20%	0.2	C	C	.	.			trans	-81	100.8	166.7	-179	0	0	0	0	109.1	E291 I642 N643 T644	E291-S640 PolarHBondContact OE1-OG 3.42Å; S640-I642 PolarHBondContact O-N 3.31Å; S640-N643 PolarHBondContact O-N 2.88Å; S640-N643 VanDerWaalsContact OG-CG 3.32Å; S640-N643 PolarHBondContact OG-N 3.04Å; S640-N643 PolarHBondContact OG-ND2 2.93Å; S640-T644 WeakPolarHBondContact O-CB 3.14Å; S640-T644 WeakPolarHBondContact O-CG2 3.39Å; S640-T644 PolarHBondContact O-N 3.36Å; S640-T644 VanDerWaalsContact O-N 3.08Å; S640-T644 PolarHBondContact O-OG1 3.44Å
641	G	97.9	Very high	98.2	Very high	5 Å²	5	29.3 Å²	29.3	5%	0.052	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.3	176.8	0	0	0	0	0	113.9	L639	L639-G641 PolarHBondContact O-N 3.1Å
642	I	97.9	Very high	98.2	Very high	70 Å²	70	29.5 Å²	29.5	36%	0.359	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-53.1	175.8	-61.9	173.3	0	0	0	110.2	E291 V623 S640 T644 L645	E291-I642 HydrophobicContact CB-CG2 3.96Å; E291-I642 HydrophobicContact CG-CB 4.1Å; E291-I642 HydrophobicContact CG-CD1 4.47Å; E291-I642 HydrophobicContact CG-CG2 4.06Å; V623-I642 HydrophobicContact CG1-CG1 3.78Å; S640-I642 PolarHBondContact O-N 3.31Å; I642-T644 PolarHBondContact O-N 2.87Å; I642-L645 WeakPolarHBondContact O-CB 3.27Å; I642-L645 PolarHBondContact O-N 3.32Å; I642-L645 VanDerWaalsContact O-N 3.12Å
643	N	96.7	Very high	98.2	Very high	31 Å²	31	24.4 Å²	24.4	17%	0.166	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.8	-177.8	-64.8	-17	0	0	0	112.6	E291 S640	E291-N643 WeakPolarHBondContact CA-OD1 3.45Å; E291-N643 WeakPolarHBondContact CG-OD1 3.08Å; E291-N643 PolarHBondContact N-OD1 2.92Å; E291-N643 PolarHBondContact OE1-ND2 3.23Å; E291-N643 PolarHBondContact OE1-OD1 2.67Å; S640-N643 PolarHBondContact O-N 2.88Å; S640-N643 VanDerWaalsContact OG-CG 3.32Å; S640-N643 PolarHBondContact OG-N 3.04Å; S640-N643 PolarHBondContact OG-ND2 2.93Å
644	T	98.6	Very high	98.3	Very high	8 Å²	8	22.2 Å²	22.2	5%	0.049	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-0.4	179	59.8	0	0	0	0	114	S640 I642 G646 E647 N648 V711	S640-T644 WeakPolarHBondContact O-CB 3.14Å; S640-T644 WeakPolarHBondContact O-CG2 3.39Å; S640-T644 PolarHBondContact O-N 3.36Å; S640-T644 VanDerWaalsContact O-N 3.08Å; S640-T644 PolarHBondContact O-OG1 3.44Å; I642-T644 PolarHBondContact O-N 2.87Å; T644-G646 PolarHBondContact O-N 3.08Å; T644-E647 PolarHBondContact O-N 3.11Å; T644-N648 WeakPolarHBondContact CB-ND2 3.38Å; T644-N648 WeakPolarHBondContact O-CB 3.41Å; T644-N648 PolarHBondContact O-N 2.86Å; T644-N648 PolarHBondContact O-ND2 3.13Å; T644-N648 PolarHBondContact O-OD1 2.92Å; T644-N648 PolarHBondContact OG1-ND2 2.9Å; T644-V711 WeakPolarHBondContact CA-O 3.23Å
645	L	98.8	Very high	98.3	Very high	11 Å²	11	22.3 Å²	22.3	6%	0.058	14%	0.144	C	C	.	.	H	α-helix	trans	-59.5	-49.2	-168.5	-176.3	57.8	0	0	0	113	D592 M622 V623 I642 E647 N648 I649	D592-L645 HydrophobicContact CB-CD2 4.19Å; M622-L645 HydrophobicContact CB-CD1 4.02Å; V623-L645 HydrophobicContact CG2-CD1 3.73Å; V623-L645 HydrophobicContact CG2-CD2 3.75Å; V623-L645 HydrophobicContact CG2-CG 4.22Å; I642-L645 WeakPolarHBondContact O-CB 3.27Å; I642-L645 PolarHBondContact O-N 3.32Å; I642-L645 VanDerWaalsContact O-N 3.12Å; L645-E647 PolarHBondContact O-N 3.35Å; L645-N648 PolarHBondContact O-N 3.13Å; L645-I649 HydrophobicContact CD1-CD1 3.88Å; L645-I649 HydrophobicContact CD1-CG1 4.01Å; L645-I649 HydrophobicContact CD2-CD1 4.46Å; L645-I649 HydrophobicContact CG-CD1 3.78Å; L645-I649 HydrophobicContact CG-CG1 4.32Å; L645-I649 WeakPolarHBondContact O-CB 3.19Å; L645-I649 VanDerWaalsContact O-CG1 3.31Å; L645-I649 WeakPolarHBondContact O-CG1 3.34Å; L645-I649 PolarHBondContact O-N 3.35Å
646	G	98.5	Very high	98.4	Very high	11 Å²	11	19.9 Å²	19.9	11%	0.113	11%	0.112	C	C	.	.	H	α-helix	trans	-58.4	-47.5	-178.2	0	0	0	0	0	112.6	D592 T644 N648 I649 A650	D592-G646 WeakPolarHBondContact OD1-CA 3.46Å; D592-G646 PolarHBondContact OD1-N 3.25Å; D592-G646 VanDerWaalsContact OD1-N 3.16Å; T644-G646 PolarHBondContact O-N 3.08Å; G646-N648 PolarHBondContact O-N 2.93Å; G646-I649 PolarHBondContact O-N 2.75Å; G646-A650 WeakPolarHBondContact O-CB 3.21Å; G646-A650 PolarHBondContact O-N 3.5Å
647	E	98.8	Very high	98.5	Very high	24 Å²	24	18.4 Å²	18.4	11%	0.112	10%	0.097	C	C	.	.	H	α-helix	trans	-65.2	-39	176.4	-63.1	-58.4	149.2	0	0	112.6	H584 H588 T644 L645 A650 D651 V711 H712 R718	H584-E647 IonicContact CE1-OE2 3.98Å; H584-E647 PolarHBondContact CE1-OE2 2.87Å; H584-E647 IonicContact NE2-OE2 3.81Å; H584-E647 PolarHBondContact NE2-OE2 3.44Å; H588-E647 IonicContact CE1-OE1 2.99Å; H588-E647 PolarHBondContact CE1-OE1 3.2Å; H588-E647 IonicContact CE1-OE2 3.93Å; H588-E647 PolarHBondContact CE1-OE2 3.26Å; H588-E647 IonicContact NE2-OE1 3.11Å; H588-E647 PolarHBondContact NE2-OE1 3.47Å; H588-E647 IonicContact NE2-OE2 2.83Å; H588-E647 PolarHBondContact NE2-OE2 2.86Å; T644-E647 PolarHBondContact O-N 3.11Å; L645-E647 PolarHBondContact O-N 3.35Å; E647-A650 PolarHBondContact O-N 3.09Å; E647-D651 PolarHBondContact O-N 2.98Å; E647-V711 HydrophobicContact CG-CB 4.3Å; E647-V711 HydrophobicContact CG-CG2 3.96Å; E647-V711 VanDerWaalsContact CG-O 3.25Å; E647-V711 WeakPolarHBondContact CG-O 3.44Å; E647-H712 VanDerWaalsContact CD-NE2 3.28Å; E647-H712 HydrophobicContact CG-CB 4.46Å; E647-H712 WeakPolarHBondContact CG-CD2 3.41Å; E647-H712 IonicContact OE1-CD2 3.86Å; E647-H712 IonicContact OE1-NE2 3.22Å; E647-H712 IonicContact OE2-CD2 3.82Å; E647-H712 PolarHBondContact OE2-CD2 2.92Å; E647-H712 IonicContact OE2-NE2 3.02Å; E647-H712 PolarHBondContact OE2-NE2 3.4Å; E647-R718 IonicContact OE2-NH2 3.24Å
648	N	98.9	Very high	98.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-68	-38.5	177.8	-64.4	-27.9	0	0	0	111.5	Y626 T644 L645 G646 N652 S713	Y626-N648 WeakPolarHBondContact CD1-OD1 3.48Å; Y626-N648 HydrophobicContact CD2-CB 3.96Å; Y626-N648 WeakPolarHBondContact CD2-ND2 3.31Å; Y626-N648 HydrophobicContact CE1-CB 4.38Å; Y626-N648 VanDerWaalsContact CE1-OD1 3.29Å; Y626-N648 WeakPolarHBondContact CE1-OD1 3.45Å; Y626-N648 HydrophobicContact CE2-CB 3.67Å; Y626-N648 HydrophobicContact CG-CB 4.41Å; T644-N648 WeakPolarHBondContact CB-ND2 3.38Å; T644-N648 WeakPolarHBondContact O-CB 3.41Å; T644-N648 PolarHBondContact O-N 2.86Å; T644-N648 PolarHBondContact O-ND2 3.13Å; T644-N648 PolarHBondContact O-OD1 2.92Å; T644-N648 PolarHBondContact OG1-ND2 2.9Å; L645-N648 PolarHBondContact O-N 3.13Å; G646-N648 PolarHBondContact O-N 2.93Å; N648-N652 WeakPolarHBondContact O-CB 3.42Å; N648-N652 PolarHBondContact O-N 3.48Å; N648-N652 VanDerWaalsContact O-N 3.14Å; N648-N652 PolarHBondContact O-ND2 3.44Å; N648-S713 WeakPolarHBondContact OD1-CB 3.3Å; N648-S713 PolarHBondContact OD1-OG 3.38Å
649	I	98.9	Very high	98.5	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-62.4	-46.1	173	-71.4	171.6	0	0	0	109.4	T587 D591 F615 M622 L645 G646 N652 G653 V749	T587-I649 HydrophobicContact CG2-CG2 3.98Å; D591-I649 HydrophobicContact CB-CB 4.44Å; D591-I649 HydrophobicContact CB-CG2 4.24Å; F615-I649 HydrophobicContact CZ-CD1 4.03Å; M622-I649 HydrophobicContact SD-CG1 3.92Å; L645-I649 HydrophobicContact CD1-CD1 3.88Å; L645-I649 HydrophobicContact CD1-CG1 4.01Å; L645-I649 HydrophobicContact CD2-CD1 4.46Å; L645-I649 HydrophobicContact CG-CD1 3.78Å; L645-I649 HydrophobicContact CG-CG1 4.32Å; L645-I649 WeakPolarHBondContact O-CB 3.19Å; L645-I649 VanDerWaalsContact O-CG1 3.31Å; L645-I649 WeakPolarHBondContact O-CG1 3.34Å; L645-I649 PolarHBondContact O-N 3.35Å; G646-I649 PolarHBondContact O-N 2.75Å; I649-N652 PolarHBondContact O-N 2.93Å; I649-G653 PolarHBondContact O-N 3.14Å; I649-V749 HydrophobicContact CD1-CG2 4.5Å; I649-V749 HydrophobicContact CG1-CG2 4.25Å; I649-V749 HydrophobicContact CG2-CB 4.46Å
650	A	98.9	Very high	98.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64	-41.9	179.9	0	0	0	0	0	112.7	H584 T587 G646 E647 N652 G654	H584-A650 WeakPolarHBondContact CE1-CB 2.97Å; H584-A650 VanDerWaalsContact ND1-C 3.26Å; H584-A650 WeakPolarHBondContact ND1-CB 3.39Å; T587-A650 HydrophobicContact CG2-CB 4.43Å; G646-A650 WeakPolarHBondContact O-CB 3.21Å; G646-A650 PolarHBondContact O-N 3.5Å; E647-A650 PolarHBondContact O-N 3.09Å; A650-N652 PolarHBondContact O-N 3.38Å; A650-G654 WeakPolarHBondContact O-CA 3.18Å; A650-G654 PolarHBondContact O-N 2.84Å
651	D	98.9	Very high	98.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.1	-48.8	174.6	-82.5	-29.4	0	0	0	111.9	H584 E647 G654 V655 R718 S722	H584-D651 IonicContact CE1-OD1 3.25Å; H584-D651 PolarHBondContact ND1-N 2.72Å; H584-D651 IonicContact ND1-OD1 2.69Å; H584-D651 PolarHBondContact ND1-OD1 2.94Å; E647-D651 PolarHBondContact O-N 2.98Å; D651-G654 PolarHBondContact O-N 2.85Å; D651-V655 WeakPolarHBondContact O-CG1 3.43Å; D651-V655 PolarHBondContact O-N 3.45Å; D651-R718 VanDerWaalsContact CG-NE 3.3Å; D651-R718 VanDerWaalsContact CG-NH2 3.32Å; D651-R718 IonicContact OD1-CZ 3.52Å; D651-R718 VanDerWaalsContact OD1-CZ 3.27Å; D651-R718 IonicContact OD1-NE 3.82Å; D651-R718 PolarHBondContact OD1-NE 3.15Å; D651-R718 VanDerWaalsContact OD1-NE 3.1Å; D651-R718 IonicContact OD1-NH2 2.73Å; D651-R718 PolarHBondContact OD1-NH2 3.41Å; D651-R718 WeakPolarHBondContact OD2-CB 3.37Å; D651-R718 WeakPolarHBondContact OD2-CG 3.46Å; D651-R718 IonicContact OD2-CZ 3.09Å; D651-R718 IonicContact OD2-NE 2.95Å; D651-R718 PolarHBondContact OD2-NE 3.03Å; D651-R718 IonicContact OD2-NH2 2.67Å; D651-R718 PolarHBondContact OD2-NH2 2.94Å; D651-S722 WeakPolarHBondContact CB-OG 3.31Å
652	N	98.9	Very high	98.6	Very high	10 Å²	10	11.5 Å²	11.5	5%	0.053	6%	0.059	C	C	.	.	H	α-helix	trans	-67.6	-43.2	-176.2	-84.4	-98.5	0	0	0	111.6	M622 Y626 N648 I649 A650 R656 S722 N725	M622-N652 HydrophobicContact CE-CB 3.58Å; M622-N652 HydrophobicContact SD-CB 4.35Å; Y626-N652 PolarHBondContact OH-ND2 3.41Å; N648-N652 WeakPolarHBondContact O-CB 3.42Å; N648-N652 PolarHBondContact O-N 3.48Å; N648-N652 VanDerWaalsContact O-N 3.14Å; N648-N652 PolarHBondContact O-ND2 3.44Å; I649-N652 PolarHBondContact O-N 2.93Å; A650-N652 PolarHBondContact O-N 3.38Å; N652-R656 WeakPolarHBondContact O-CB 3.5Å; N652-R656 PolarHBondContact O-N 3.33Å; N652-S722 PolarHBondContact ND2-OG 3.1Å; N652-N725 VanDerWaalsContact OD1-CB 3.22Å; N652-N725 WeakPolarHBondContact OD1-CB 3.47Å; N652-N725 PolarHBondContact OD1-ND2 3.44Å
653	G	98.8	Very high	98.7	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.01	6%	0.058	C	C	.	.	H	α-helix	trans	-64.9	-48.2	174.2	0	0	0	0	0	111.2	I649 V655 R656 Q657	I649-G653 PolarHBondContact O-N 3.14Å; G653-V655 PolarHBondContact O-N 3.42Å; G653-R656 PolarHBondContact O-N 2.94Å; G653-Q657 WeakPolarHBondContact O-CB 3.22Å; G653-Q657 WeakPolarHBondContact O-CG 3.29Å; G653-Q657 PolarHBondContact O-N 3.05Å; G653-Q657 PolarHBondContact O-NE2 3.08Å
654	G	98.8	Very high	98.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.4	-47.5	-175.9	0	0	0	0	0	113.4	A650 D651 R656 Q657 A658	A650-G654 WeakPolarHBondContact O-CA 3.18Å; A650-G654 PolarHBondContact O-N 2.84Å; D651-G654 PolarHBondContact O-N 2.85Å; G654-R656 VanDerWaalsContact C-N 3.33Å; G654-R656 PolarHBondContact O-N 2.04Å; G654-Q657 PolarHBondContact O-N 2.97Å; G654-A658 VanDerWaalsContact O-CB 3.25Å; G654-A658 WeakPolarHBondContact O-CB 3.27Å; G654-A658 PolarHBondContact O-N 2.87Å
655	V	98.8	Very high	98.7	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.024	8%	0.076	C	C	.	.	H	α-helix	trans	-65.2	-37.3	178.3	72.9	0	0	0	0	111.9	M580 D651 G653 Y659 F686 F690	M580-V655 HydrophobicContact CG-CB 3.92Å; M580-V655 HydrophobicContact CG-CG2 4.41Å; D651-V655 WeakPolarHBondContact O-CG1 3.43Å; D651-V655 PolarHBondContact O-N 3.45Å; G653-V655 PolarHBondContact O-N 3.42Å; V655-Y659 WeakPolarHBondContact O-CB 3.15Å; V655-Y659 PolarHBondContact O-N 3.43Å; V655-F686 HydrophobicContact CG2-CE1 3.91Å; V655-F686 HydrophobicContact CG2-CZ 4.26Å; V655-F690 HydrophobicContact CB-CD2 4.3Å; V655-F690 HydrophobicContact CB-CE2 4.08Å; V655-F690 HydrophobicContact CG2-CD1 4.45Å; V655-F690 HydrophobicContact CG2-CD2 3.81Å; V655-F690 HydrophobicContact CG2-CE2 4Å; V655-F690 HydrophobicContact CG2-CG 4.04Å; V655-F690 HydrophobicContact CG2-CZ 4.42Å
656	R	98.7	Very high	98.7	Very high	22 Å²	22	16.1 Å²	16.1	8%	0.083	8%	0.081	C	C	.	.	H	α-helix	trans	-66.2	-47.2	177.4	-178.6	-177.8	-62.9	-74.8	-5.3	111.5	N652 G653 G654 Y659 K660 N725 E728 W750	N652-R656 WeakPolarHBondContact O-CB 3.5Å; N652-R656 PolarHBondContact O-N 3.33Å; G653-R656 PolarHBondContact O-N 2.94Å; G654-R656 VanDerWaalsContact C-N 3.33Å; G654-R656 PolarHBondContact O-N 2.04Å; R656-Y659 PolarHBondContact O-N 3.04Å; R656-K660 PolarHBondContact O-N 3.5Å; R656-N725 PolarHBondContact NH2-O 3.07Å; R656-N725 VanDerWaalsContact NH2-O 3.07Å; R656-E728 IonicContact NH1-OE1 2.7Å; R656-E728 PolarHBondContact NH1-OE1 3.05Å; R656-E728 IonicContact NH1-OE2 2.76Å; R656-W750 WeakPolarHBondContact CD-O 3.31Å
657	Q	98.8	Very high	98.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-63.5	-44.8	179.2	-67	154.7	29.2	0	0	110.8	I447 V450 G583 T587 G653 G654 Y659 K660 A661	I447-Q657 HydrophobicContact CG2-CB 4.1Å; V450-Q657 HydrophobicContact CG1-CB 4.2Å; G583-Q657 PolarHBondContact O-OE1 3.32Å; T587-Q657 PolarHBondContact OG1-NE2 3.25Å; T587-Q657 PolarHBondContact OG1-OE1 2.73Å; G653-Q657 WeakPolarHBondContact O-CB 3.22Å; G653-Q657 WeakPolarHBondContact O-CG 3.29Å; G653-Q657 PolarHBondContact O-N 3.05Å; G653-Q657 PolarHBondContact O-NE2 3.08Å; G654-Q657 PolarHBondContact O-N 2.97Å; Q657-Y659 VanDerWaalsContact C-N 3.35Å; Q657-Y659 PolarHBondContact O-N 3.45Å; Q657-K660 PolarHBondContact O-N 3.25Å; Q657-A661 WeakPolarHBondContact O-CB 3.44Å; Q657-A661 PolarHBondContact O-N 3.12Å
658	A	98.9	Very high	98.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.7	-38.8	178	0	0	0	0	0	112.8	Y575 G579 M580 G654 A661 Y662 F686	Y575-A658 WeakPolarHBondContact O-CB 3.42Å; G579-A658 VanDerWaalsContact C-CB 3.43Å; M580-A658 HydrophobicContact CB-CB 4.28Å; G654-A658 VanDerWaalsContact O-CB 3.25Å; G654-A658 WeakPolarHBondContact O-CB 3.27Å; G654-A658 PolarHBondContact O-N 2.87Å; A658-A661 PolarHBondContact O-N 3.44Å; A658-Y662 WeakPolarHBondContact O-CB 3.23Å; A658-Y662 PolarHBondContact O-N 3.31Å; A658-F686 HydrophobicContact CB-CE2 4.12Å; A658-F686 HydrophobicContact CB-CZ 3.99Å
659	Y	98.9	Very high	98.5	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-65.8	-45.9	176.5	-176.4	-98.2	0	0	0	111.7	V655 R656 Q657 A661 Y662 E663 K683 F686 F687 E728	V655-Y659 WeakPolarHBondContact O-CB 3.15Å; V655-Y659 PolarHBondContact O-N 3.43Å; R656-Y659 PolarHBondContact O-N 3.04Å; Q657-Y659 VanDerWaalsContact C-N 3.35Å; Q657-Y659 PolarHBondContact O-N 3.45Å; Y659-A661 VanDerWaalsContact C-N 3.31Å; Y659-A661 PolarHBondContact O-N 3.2Å; Y659-Y662 WeakPolarHBondContact O-CB 3.35Å; Y659-Y662 PolarHBondContact O-N 3.14Å; Y659-Y662 VanDerWaalsContact O-N 3.17Å; Y659-E663 HydrophobicContact CD1-CG 4.27Å; Y659-E663 HydrophobicContact CE1-CG 3.8Å; Y659-E663 WeakPolarHBondContact CE1-OE2 2.99Å; Y659-E663 PolarHBondContact O-N 3.19Å; Y659-E663 PolarHBondContact OH-OE1 3.35Å; Y659-K683 HydrophobicContact CE2-CB 4.42Å; Y659-K683 HydrophobicContact CE2-CG 4.44Å; Y659-K683 VanDerWaalsContact OH-CD 3.3Å; Y659-K683 WeakPolarHBondContact OH-CD 3.03Å; Y659-K683 WeakPolarHBondContact OH-CE 3.35Å; Y659-K683 PolarHBondContact OH-NZ 2.83Å; Y659-F686 AromaticContact CD2-CD1 3.63Å; Y659-F686 HydrophobicContact CD2-CD1 3.63Å; Y659-F686 HydrophobicContact CD2-CD2 4.4Å; Y659-F686 AromaticContact CD2-CE1 3.79Å; Y659-F686 HydrophobicContact CD2-CE1 3.79Å; Y659-F686 HydrophobicContact CD2-CE2 4.49Å; Y659-F686 AromaticContact CD2-CG 4Å; Y659-F686 HydrophobicContact CD2-CG 4Å; Y659-F686 HydrophobicContact CD2-CZ 4.23Å; Y659-F686 HydrophobicContact CE2-CD1 4.45Å; Y659-F686 HydrophobicContact CG-CE1 4.25Å; Y659-F686 HydrophobicContact CG-CZ 4.45Å; Y659-F687 HydrophobicContact CD2-CE1 4.33Å; Y659-F687 AromaticContact CD2-CE2 3.94Å; Y659-F687 HydrophobicContact CD2-CE2 3.94Å; Y659-F687 AromaticContact CD2-CZ 3.62Å; Y659-F687 HydrophobicContact CD2-CZ 3.62Å; Y659-F687 AromaticContact CE2-CE2 3.64Å; Y659-F687 HydrophobicContact CE2-CE2 3.64Å; Y659-F687 AromaticContact CE2-CZ 3.74Å; Y659-F687 HydrophobicContact CE2-CZ 3.74Å; Y659-F687 HydrophobicContact CG-CZ 4.14Å; Y659-E728 HydrophobicContact CD1-CB 3.86Å; Y659-E728 HydrophobicContact CD1-CG 3.87Å; Y659-E728 HydrophobicContact CE1-CB 3.49Å; Y659-E728 VanDerWaalsContact CE1-CB 3.49Å; Y659-E728 HydrophobicContact CE1-CG 3.65Å
660	K	98.7	Very high	98.3	Very high	36 Å²	36	38 Å²	38	16%	0.157	19%	0.189	C	C	.	.	H	α-helix	trans	-60.4	-40	174.2	-77.9	-173.5	176.9	-170	0	112.3	V450 T454 E457 R656 Q657 Y662 E663 N664	V450-K660 HydrophobicContact CG1-CB 3.62Å; V450-K660 HydrophobicContact CG1-CD 4.01Å; V450-K660 HydrophobicContact CG1-CG 4.49Å; V450-K660 HydrophobicContact CG2-CB 4.44Å; T454-K660 PolarHBondContact OG1-NZ 3.13Å; T454-K660 VanDerWaalsContact OG1-NZ 3.09Å; E457-K660 IonicContact OE1-NZ 2.8Å; E457-K660 PolarHBondContact OE1-NZ 3.24Å; E457-K660 IonicContact OE2-NZ 2.82Å; E457-K660 PolarHBondContact OE2-NZ 2.84Å; R656-K660 PolarHBondContact O-N 3.5Å; Q657-K660 PolarHBondContact O-N 3.25Å; K660-Y662 VanDerWaalsContact C-N 3.34Å; K660-E663 PolarHBondContact O-N 3.1Å; K660-N664 PolarHBondContact O-N 3.17Å
661	A	98.7	Very high	98.1	Very high	2 Å²	2	45 Å²	45	2%	0.017	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-40.9	175.4	0	0	0	0	0	111.4	I447 V450 Y575 Q657 A658 Y659 N664 F665	I447-A661 HydrophobicContact CG1-CB 3.86Å; V450-A661 HydrophobicContact CG2-CB 3.98Å; Y575-A661 HydrophobicContact CD1-CB 3.89Å; Y575-A661 HydrophobicContact CE1-CB 3.63Å; Q657-A661 WeakPolarHBondContact O-CB 3.44Å; Q657-A661 PolarHBondContact O-N 3.12Å; A658-A661 PolarHBondContact O-N 3.44Å; Y659-A661 VanDerWaalsContact C-N 3.31Å; Y659-A661 PolarHBondContact O-N 3.2Å; A661-N664 WeakPolarHBondContact O-CB 3.39Å; A661-N664 PolarHBondContact O-N 3.17Å; A661-F665 PolarHBondContact O-N 2.87Å
662	Y	98.7	Very high	98	Very high	5 Å²	5	47 Å²	47	2%	0.02	24%	0.235	C	C	.	.	H	α-helix	trans	-62.4	-42.4	172.7	175.7	-112.8	0	0	0	112.6	K571 Y575 A658 Y659 K660 N664 F665 V666 H682 F686	K571-Y662 HydrophobicContact CB-CE2 4.49Å; Y575-Y662 AromaticContact CD2-CD2 3.79Å; Y575-Y662 HydrophobicContact CD2-CD2 3.79Å; Y575-Y662 HydrophobicContact CD2-CG 4.36Å; Y575-Y662 HydrophobicContact CE2-CD2 4.45Å; Y575-Y662 HydrophobicContact CG-CD2 4.42Å; A658-Y662 WeakPolarHBondContact O-CB 3.23Å; A658-Y662 PolarHBondContact O-N 3.31Å; Y659-Y662 WeakPolarHBondContact O-CB 3.35Å; Y659-Y662 PolarHBondContact O-N 3.14Å; Y659-Y662 VanDerWaalsContact O-N 3.17Å; K660-Y662 VanDerWaalsContact C-N 3.34Å; Y662-N664 VanDerWaalsContact C-N 3.33Å; Y662-N664 PolarHBondContact O-N 3.12Å; Y662-F665 HydrophobicContact CD2-CD1 4.42Å; Y662-F665 HydrophobicContact CE2-CD1 4.34Å; Y662-F665 WeakPolarHBondContact O-CB 3.15Å; Y662-F665 PolarHBondContact O-N 2.85Å; Y662-V666 HydrophobicContact CD2-CG2 4.31Å; Y662-V666 HydrophobicContact CE1-CG2 3.99Å; Y662-V666 HydrophobicContact CE2-CG2 3.69Å; Y662-V666 VanDerWaalsContact CZ-CG2 3.46Å; Y662-V666 WeakPolarHBondContact O-CG2 3.39Å; Y662-V666 PolarHBondContact O-N 3.41Å; Y662-V666 WeakPolarHBondContact OH-CG2 3.21Å; Y662-H682 WeakPolarHBondContact OH-CB 3.48Å; Y662-F686 HydrophobicContact CD1-CD2 4.41Å; Y662-F686 HydrophobicContact CG-CD2 4.38Å
663	E	98.5	Very high	97.8	Very high	70 Å²	70	51.2 Å²	51.2	33%	0.327	25%	0.253	S	S	.	.	H	α-helix	trans	-63.6	-38.4	175.2	-70.4	-163.3	125.2	0	0	112.3	Y659 K660 F665 V666 K667 K683	Y659-E663 HydrophobicContact CD1-CG 4.27Å; Y659-E663 HydrophobicContact CE1-CG 3.8Å; Y659-E663 WeakPolarHBondContact CE1-OE2 2.99Å; Y659-E663 PolarHBondContact O-N 3.19Å; Y659-E663 PolarHBondContact OH-OE1 3.35Å; K660-E663 PolarHBondContact O-N 3.1Å; E663-F665 VanDerWaalsContact C-N 3.35Å; E663-V666 PolarHBondContact O-N 2.97Å; E663-K667 WeakPolarHBondContact O-CB 3.45Å; E663-K667 PolarHBondContact O-N 3.43Å; E663-K683 WeakPolarHBondContact OE1-CE 3.01Å; E663-K683 IonicContact OE1-NZ 2.7Å; E663-K683 PolarHBondContact OE1-NZ 3.06Å
664	N	98.3	Very high	97.8	Very high	79 Å²	79	54.8 Å²	54.8	42%	0.422	27%	0.271	S	S	.	.	H	α-helix	trans	-62.6	-41.8	172.3	-72.9	-22.7	0	0	0	111.8	K660 A661 Y662 K667 K668	K660-N664 PolarHBondContact O-N 3.17Å; A661-N664 WeakPolarHBondContact O-CB 3.39Å; A661-N664 PolarHBondContact O-N 3.17Å; Y662-N664 VanDerWaalsContact C-N 3.33Å; Y662-N664 PolarHBondContact O-N 3.12Å; N664-K667 PolarHBondContact O-N 3.41Å; N664-K668 WeakPolarHBondContact O-CB 3.49Å; N664-K668 PolarHBondContact O-N 3.33Å
665	F	97.8	Very high	97.7	Very high	39 Å²	39	55 Å²	55	17%	0.171	27%	0.272	C	S	.	.	H	α-helix	trans	-58.3	-48.5	174	170.2	-89.7	0	0	0	111.3	K571 Y575 A661 Y662 E663 K667 K668 N669 E672	K571-F665 HydrophobicContact CB-CD1 4.04Å; K571-F665 HydrophobicContact CB-CE1 3.77Å; K571-F665 HydrophobicContact CB-CZ 4.11Å; K571-F665 HydrophobicContact CD-CE2 4.48Å; K571-F665 HydrophobicContact CG-CD1 4.36Å; K571-F665 HydrophobicContact CG-CE1 3.75Å; K571-F665 HydrophobicContact CG-CE2 3.95Å; K571-F665 HydrophobicContact CG-CZ 3.55Å; Y575-F665 HydrophobicContact CE2-CB 3.92Å; Y575-F665 HydrophobicContact CE2-CD2 4.42Å; Y575-F665 HydrophobicContact CE2-CG 4.07Å; A661-F665 PolarHBondContact O-N 2.87Å; Y662-F665 HydrophobicContact CD2-CD1 4.42Å; Y662-F665 HydrophobicContact CE2-CD1 4.34Å; Y662-F665 WeakPolarHBondContact O-CB 3.15Å; Y662-F665 PolarHBondContact O-N 2.85Å; E663-F665 VanDerWaalsContact C-N 3.35Å; F665-K667 PolarHBondContact O-N 3.36Å; F665-K668 PolarHBondContact O-N 3.49Å; F665-N669 WeakPolarHBondContact CD2-ND2 3.47Å; F665-N669 HydrophobicContact CE1-CB 4.35Å; F665-N669 HydrophobicContact CE2-CB 4.11Å; F665-N669 WeakPolarHBondContact CE2-ND2 3.29Å; F665-N669 HydrophobicContact CZ-CB 3.93Å; F665-N669 WeakPolarHBondContact O-CB 3.49Å; F665-N669 PolarHBondContact O-N 3.11Å; F665-N669 PolarHBondContact O-ND2 3.28Å; F665-E672 HydrophobicContact CE1-CG 4.2Å
666	V	98	Very high	97.6	Very high	29 Å²	29	56.5 Å²	56.5	18%	0.176	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-41.1	178.4	173	0	0	0	0	111.3	Y662 E663 K668 N669 G670 N671	Y662-V666 HydrophobicContact CD2-CG2 4.31Å; Y662-V666 HydrophobicContact CE1-CG2 3.99Å; Y662-V666 HydrophobicContact CE2-CG2 3.69Å; Y662-V666 VanDerWaalsContact CZ-CG2 3.46Å; Y662-V666 WeakPolarHBondContact O-CG2 3.39Å; Y662-V666 PolarHBondContact O-N 3.41Å; Y662-V666 WeakPolarHBondContact OH-CG2 3.21Å; E663-V666 PolarHBondContact O-N 2.97Å; V666-K668 PolarHBondContact O-N 3.43Å; V666-N669 PolarHBondContact O-N 2.79Å; V666-G670 CarbonylContact O-C 3.58Å; V666-G670 VanDerWaalsContact O-CA 3.26Å; V666-G670 WeakPolarHBondContact O-CA 3.44Å; V666-G670 PolarHBondContact O-N 3.39Å; V666-N671 VanDerWaalsContact CG1-OD1 3.28Å; V666-N671 WeakPolarHBondContact CG1-OD1 3.32Å
667	K	97.7	Very high	97.4	Very high	185 Å²	185	59 Å²	59	80%	0.804	32%	0.315	S	S	*	.	H	α-helix	trans	-60.8	-34.9	176.9	-174.2	179	-179.1	179.3	0	112.3	E663 N664 F665	E663-K667 WeakPolarHBondContact O-CB 3.45Å; E663-K667 PolarHBondContact O-N 3.43Å; N664-K667 PolarHBondContact O-N 3.41Å; F665-K667 PolarHBondContact O-N 3.36Å
668	K	97.2	Very high	97.3	Very high	177 Å²	177	59.9 Å²	59.9	77%	0.77	32%	0.32	S	S	*	.	H	α-helix	trans	-82.8	-39.7	-179.7	-177.7	179	175.8	-175.8	0	113	N664 F665 V666	N664-K668 WeakPolarHBondContact O-CB 3.49Å; N664-K668 PolarHBondContact O-N 3.33Å; F665-K668 PolarHBondContact O-N 3.49Å; V666-K668 PolarHBondContact O-N 3.43Å
669	N	96.9	Very high	97	Very high	98 Å²	98	69.6 Å²	69.6	52%	0.524	37%	0.365	S	S	.	.	H	α-helix	trans	-111.7	-7.8	-167.3	-57.7	-74.9	0	0	0	114.2	F665 V666	F665-N669 WeakPolarHBondContact CD2-ND2 3.47Å; F665-N669 HydrophobicContact CE1-CB 4.35Å; F665-N669 HydrophobicContact CE2-CB 4.11Å; F665-N669 WeakPolarHBondContact CE2-ND2 3.29Å; F665-N669 HydrophobicContact CZ-CB 3.93Å; F665-N669 WeakPolarHBondContact O-CB 3.49Å; F665-N669 PolarHBondContact O-N 3.11Å; F665-N669 PolarHBondContact O-ND2 3.28Å; V666-N669 PolarHBondContact O-N 2.79Å
670	G	96	Very high	96.8	Very high	37 Å²	37	70.2 Å²	70.2	38%	0.381	37%	0.368	S	S	.	.			trans	84	178.5	-172	0	0	0	0	0	113	V666	V666-G670 CarbonylContact O-C 3.58Å; V666-G670 VanDerWaalsContact O-CA 3.26Å; V666-G670 WeakPolarHBondContact O-CA 3.44Å; V666-G670 PolarHBondContact O-N 3.39Å
671	N	94.1	Very high	96.8	Very high	145 Å²	145	71.9 Å²	71.9	78%	0.775	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-73.5	142.4	178.7	-68.6	-46.5	0	0	0	111.4	V666	V666-N671 VanDerWaalsContact CG1-OD1 3.28Å; V666-N671 WeakPolarHBondContact CG1-OD1 3.32Å
672	E	96	Very high	96.7	Very high	44 Å²	44	72.3 Å²	72.3	21%	0.206	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-74	159.4	171.7	-58.3	-172.9	84.2	0	0	111.8	S570 K571 S572 F665 H682	S570-E672 WeakPolarHBondContact CA-OE1 3.38Å; K571-E672 WeakPolarHBondContact CB-OE2 3.46Å; K571-E672 VanDerWaalsContact N-CD 3.31Å; K571-E672 PolarHBondContact N-OE1 3.33Å; K571-E672 PolarHBondContact N-OE2 3.5Å; K571-E672 VanDerWaalsContact N-OE2 3.14Å; S572-E672 PolarHBondContact N-OE2 2.85Å; F665-E672 HydrophobicContact CE1-CG 4.2Å; E672-H682 IonicContact OE2-ND1 3.84Å
673	K	96.3	Very high	96.7	Very high	98 Å²	98	75.4 Å²	75.4	43%	0.426	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-70.3	135.1	170.4	-68.8	-167.3	177.6	-151.5	0	110.5	D53 G55 C57 H682	D53-K673 IonicContact OD1-NZ 2.8Å; D53-K673 PolarHBondContact OD1-NZ 2.77Å; D53-K673 WeakPolarHBondContact OD2-CE 3.12Å; D53-K673 IonicContact OD2-NZ 2.71Å; D53-K673 PolarHBondContact OD2-NZ 2.76Å; G55-K673 CarbonylContact O-C 3.59Å; G55-K673 WeakPolarHBondContact O-CA 3.39Å; G55-K673 WeakPolarHBondContact O-CB 3.37Å; C57-K673 HydrophobicContact CB-CB 4.06Å; K673-H682 VanDerWaalsContact C-NE2 3.34Å; K673-H682 PolarHBondContact O-CE1 2.97Å; K673-H682 PolarHBondContact O-NE2 2.56Å
674	L	97.3	Very high	96.8	Very high	76 Å²	76	73.8 Å²	73.8	40%	0.398	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-60.2	152.3	-178.2	-62.4	176.5	0	0	0	112.2	G55 V56 C57	G55-L674 PolarHBondContact O-N 3.28Å; V56-L674 CarbonylContact C-O 3.58Å; V56-L674 WeakPolarHBondContact CA-O 3.28Å; C57-L674 PolarHBondContact N-O 2.89Å
675	L	97.5	Very high	96.8	Very high	3 Å²	3	70 Å²	70	2%	0.016	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-77.7	141.8	173.5	-70.9	-175.3	0	0	0	111.6	C62 A66 I69 L573 L678 L685	C62-L675 HydrophobicContact CB-CD2 3.81Å; A66-L675 HydrophobicContact CB-CB 4.24Å; I69-L675 HydrophobicContact CD1-CD1 3.93Å; L573-L675 HydrophobicContact CD1-CD1 4.24Å; L675-L678 HydrophobicContact CB-CD1 4.06Å; L675-L678 HydrophobicContact CD1-CD1 4.17Å; L675-L685 HydrophobicContact CB-CD1 4.25Å; L675-L685 HydrophobicContact CD1-CD1 3.79Å; L675-L685 HydrophobicContact CD1-CD2 4.39Å; L675-L685 HydrophobicContact CG-CD1 3.9Å
676	P	96.4	Very high	96.8	Very high	36 Å²	36	68.1 Å²	68.1	23%	0.234	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	141.9	-179.3	29	-33.1	0	0	0	111.1	V56 C57 I63 A66 L678	V56-P676 HydrophobicContact CG1-CB 3.73Å; V56-P676 HydrophobicContact CG1-CG 4.5Å; C57-P676 WeakPolarHBondContact O-CD 3.34Å; I63-P676 HydrophobicContact CG1-CG 4.11Å; A66-P676 HydrophobicContact CB-CG 4.15Å; A66-P676 WeakPolarHBondContact CB-O 3.28Å; P676-L678 PolarHBondContact O-N 2.94Å
677	G	95.3	Very high	96.9	Very high	75 Å²	75	66.8 Å²	66.8	77%	0.773	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	7	175.8	0	0	0	0	0	115.4	I70	I70-G677 WeakPolarHBondContact CD1-O 3.49Å
678	L	95.2	Very high	96.9	Very high	19 Å²	19	58 Å²	58	10%	0.099	31%	0.312	C	S	.	.			trans	-122.3	119.3	177	-74.3	162.2	0	0	0	109.8	A66 I69 I70 M73 L675 P676 M680 L685	A66-L678 HydrophobicContact CB-CD1 4.17Å; I69-L678 HydrophobicContact CB-CD1 4.15Å; I69-L678 HydrophobicContact CD1-CD1 4.36Å; I69-L678 HydrophobicContact CG2-CD1 3.84Å; I69-L678 HydrophobicContact CG2-CD2 4.03Å; I70-L678 HydrophobicContact CD1-CD2 4.38Å; I70-L678 HydrophobicContact CD1-CG 4.1Å; I70-L678 HydrophobicContact CG1-CD1 4.34Å; I70-L678 HydrophobicContact CG1-CD2 3.59Å; I70-L678 HydrophobicContact CG1-CG 3.8Å; M73-L678 HydrophobicContact SD-CD2 4.03Å; L675-L678 HydrophobicContact CB-CD1 4.06Å; L675-L678 HydrophobicContact CD1-CD1 4.17Å; P676-L678 PolarHBondContact O-N 2.94Å; L678-M680 HydrophobicContact CD2-SD 4.21Å; L678-M680 PolarHBondContact O-N 3.03Å; L678-L685 HydrophobicContact CD1-CD2 3.98Å
679	E	93.3	Very high	97	Very high	204 Å²	204	49.5 Å²	49.5	95%	0.953	28%	0.275	S	S	*	.			trans	-81.5	51.6	172.2	-63.5	-176	-179.4	0	0	110.8
680	M	95.4	Very high	97.1	Very high	17 Å²	17	44.9 Å²	44.9	8%	0.084	25%	0.25	C	C	.	.			trans	-133.8	139.5	-173.8	-59.6	-179	92.9	0	0	110.9	M73 Y86 L678 Q684 L685 L688 F733	M73-M680 HydrophobicContact CE-SD 4.35Å; Y86-M680 HydrophobicContact CE1-CE 4.02Å; Y86-M680 WeakPolarHBondContact OH-CE 3.38Å; L678-M680 HydrophobicContact CD2-SD 4.21Å; L678-M680 PolarHBondContact O-N 3.03Å; M680-Q684 VanDerWaalsContact CA-OE1 3.31Å; M680-Q684 HydrophobicContact CB-CB 4.28Å; M680-Q684 HydrophobicContact CE-CB 4Å; M680-L685 HydrophobicContact CB-CD2 4.09Å; M680-L685 HydrophobicContact CB-CG 4.29Å; M680-L685 HydrophobicContact SD-CD2 4.44Å; M680-L688 HydrophobicContact CE-CD2 3.99Å; M680-L688 HydrophobicContact SD-CD2 3.7Å; M680-F733 HydrophobicContact CE-CE1 3.61Å; M680-F733 HydrophobicContact CE-CZ 3.86Å
681	N	97.4	Very high	97.2	Very high	71 Å²	71	43.1 Å²	43.1	38%	0.38	23%	0.232	S	C	.	.			trans	-81.3	166.8	172.3	70.3	52.7	0	0	0	111	K683 Q684 L685	N681-K683 VanDerWaalsContact C-N 3.3Å; N681-K683 PolarHBondContact O-N 2.81Å; N681-K683 WeakPolarHBondContact OD1-CA 3.17Å; N681-K683 WeakPolarHBondContact OD1-CB 3.45Å; N681-K683 PolarHBondContact OD1-N 2.8Å; N681-Q684 WeakPolarHBondContact O-CB 3.36Å; N681-Q684 PolarHBondContact O-N 3.04Å; N681-Q684 VanDerWaalsContact O-N 3.11Å; N681-Q684 PolarHBondContact OD1-N 3.22Å; N681-L685 WeakPolarHBondContact O-CG 3.2Å; N681-L685 PolarHBondContact O-N 2.64Å
682	H	98.4	Very high	97.5	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.056	20%	0.195	C	C	.	.	H	α-helix	trans	-68.1	-22.8	-176.4	-78.3	-81.9	0	0	0	115.2	S572 Y662 E672 K673 Q684 L685 F686	S572-H682 WeakPolarHBondContact CB-O 3.5Å; S572-H682 PolarHBondContact OG-ND1 3.25Å; Y662-H682 WeakPolarHBondContact OH-CB 3.48Å; E672-H682 IonicContact OE2-ND1 3.84Å; K673-H682 VanDerWaalsContact C-NE2 3.34Å; K673-H682 PolarHBondContact O-CE1 2.97Å; K673-H682 PolarHBondContact O-NE2 2.56Å; H682-Q684 VanDerWaalsContact C-N 3.34Å; H682-L685 PolarHBondContact O-N 3.4Å; H682-F686 PolarHBondContact O-N 3.15Å
683	K	98.6	Very high	97.6	Very high	69 Å²	69	34.1 Å²	34.1	30%	0.3	19%	0.185	S	C	.	.	H	α-helix	trans	-66	-40.7	171.2	-67	-177.5	161.5	-157.2	0	110.6	Y659 E663 N681 F686 F687 A732	Y659-K683 HydrophobicContact CE2-CB 4.42Å; Y659-K683 HydrophobicContact CE2-CG 4.44Å; Y659-K683 VanDerWaalsContact OH-CD 3.3Å; Y659-K683 WeakPolarHBondContact OH-CD 3.03Å; Y659-K683 WeakPolarHBondContact OH-CE 3.35Å; Y659-K683 PolarHBondContact OH-NZ 2.83Å; E663-K683 WeakPolarHBondContact OE1-CE 3.01Å; E663-K683 IonicContact OE1-NZ 2.7Å; E663-K683 PolarHBondContact OE1-NZ 3.06Å; N681-K683 VanDerWaalsContact C-N 3.3Å; N681-K683 PolarHBondContact O-N 2.81Å; N681-K683 WeakPolarHBondContact OD1-CA 3.17Å; N681-K683 WeakPolarHBondContact OD1-CB 3.45Å; N681-K683 PolarHBondContact OD1-N 2.8Å; K683-F686 WeakPolarHBondContact O-CB 3.35Å; K683-F686 PolarHBondContact O-N 2.98Å; K683-F687 VanDerWaalsContact O-CD2 3.22Å; K683-F687 WeakPolarHBondContact O-CD2 3.32Å; K683-A732 HydrophobicContact CB-CB 4.25Å
684	Q	98.7	Very high	97.7	Very high	36 Å²	36	30.9 Å²	30.9	17%	0.168	17%	0.17	C	C	.	.	H	α-helix	trans	-68	-40.6	174.3	-65.4	170.4	-38.5	0	0	111.8	M680 N681 H682 F686 F687 L688 A732 F733	M680-Q684 VanDerWaalsContact CA-OE1 3.31Å; M680-Q684 HydrophobicContact CB-CB 4.28Å; M680-Q684 HydrophobicContact CE-CB 4Å; N681-Q684 WeakPolarHBondContact O-CB 3.36Å; N681-Q684 PolarHBondContact O-N 3.04Å; N681-Q684 VanDerWaalsContact O-N 3.11Å; N681-Q684 PolarHBondContact OD1-N 3.22Å; H682-Q684 VanDerWaalsContact C-N 3.34Å; Q684-F686 VanDerWaalsContact C-N 3.28Å; Q684-F686 PolarHBondContact O-N 3.02Å; Q684-F687 PolarHBondContact O-N 3.08Å; Q684-L688 WeakPolarHBondContact O-CB 3.43Å; Q684-L688 PolarHBondContact O-N 3.39Å; Q684-A732 HydrophobicContact CG-CB 4.29Å; Q684-A732 VanDerWaalsContact CG-O 3.23Å; Q684-A732 WeakPolarHBondContact CG-O 3.49Å; Q684-A732 PolarHBondContact NE2-O 2.79Å; Q684-F733 HydrophobicContact CB-CE1 4.2Å; Q684-F733 HydrophobicContact CB-CE2 4.03Å; Q684-F733 HydrophobicContact CB-CZ 3.65Å; Q684-F733 HydrophobicContact CG-CD2 4.45Å; Q684-F733 HydrophobicContact CG-CE1 4.18Å; Q684-F733 HydrophobicContact CG-CE2 4.08Å; Q684-F733 HydrophobicContact CG-CZ 3.94Å
685	L	98.8	Very high	97.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.2	-30.7	177	-65.8	174.9	0	0	0	113.1	I69 L573 L675 L678 M680 N681 H682 L688 N689	I69-L685 HydrophobicContact CD1-CD2 4.41Å; L573-L685 HydrophobicContact CD2-CB 4.24Å; L675-L685 HydrophobicContact CB-CD1 4.25Å; L675-L685 HydrophobicContact CD1-CD1 3.79Å; L675-L685 HydrophobicContact CD1-CD2 4.39Å; L675-L685 HydrophobicContact CG-CD1 3.9Å; L678-L685 HydrophobicContact CD1-CD2 3.98Å; M680-L685 HydrophobicContact CB-CD2 4.09Å; M680-L685 HydrophobicContact CB-CG 4.29Å; M680-L685 HydrophobicContact SD-CD2 4.44Å; N681-L685 WeakPolarHBondContact O-CG 3.2Å; N681-L685 PolarHBondContact O-N 2.64Å; H682-L685 PolarHBondContact O-N 3.4Å; L685-L688 HydrophobicContact CD2-CD2 4.43Å; L685-N689 WeakPolarHBondContact O-CB 3.46Å; L685-N689 PolarHBondContact O-N 3.41Å
686	F	98.9	Very high	97.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.3	-55.9	172	171.7	-81.4	0	0	0	110.9	S572 Y575 G576 V655 A658 Y659 Y662 H682 K683 Q684 L688 N689 F690	S572-F686 WeakPolarHBondContact O-CA 3.47Å; Y575-F686 VanDerWaalsContact C-CE2 3.41Å; G576-F686 VanDerWaalsContact CA-CE2 3.5Å; G576-F686 VanDerWaalsContact N-CE2 3.33Å; V655-F686 HydrophobicContact CG2-CE1 3.91Å; V655-F686 HydrophobicContact CG2-CZ 4.26Å; A658-F686 HydrophobicContact CB-CE2 4.12Å; A658-F686 HydrophobicContact CB-CZ 3.99Å; Y659-F686 AromaticContact CD2-CD1 3.63Å; Y659-F686 HydrophobicContact CD2-CD1 3.63Å; Y659-F686 HydrophobicContact CD2-CD2 4.4Å; Y659-F686 AromaticContact CD2-CE1 3.79Å; Y659-F686 HydrophobicContact CD2-CE1 3.79Å; Y659-F686 HydrophobicContact CD2-CE2 4.49Å; Y659-F686 AromaticContact CD2-CG 4Å; Y659-F686 HydrophobicContact CD2-CG 4Å; Y659-F686 HydrophobicContact CD2-CZ 4.23Å; Y659-F686 HydrophobicContact CE2-CD1 4.45Å; Y659-F686 HydrophobicContact CG-CE1 4.25Å; Y659-F686 HydrophobicContact CG-CZ 4.45Å; Y662-F686 HydrophobicContact CD1-CD2 4.41Å; Y662-F686 HydrophobicContact CG-CD2 4.38Å; H682-F686 PolarHBondContact O-N 3.15Å; K683-F686 WeakPolarHBondContact O-CB 3.35Å; K683-F686 PolarHBondContact O-N 2.98Å; Q684-F686 VanDerWaalsContact C-N 3.28Å; Q684-F686 PolarHBondContact O-N 3.02Å; F686-L688 VanDerWaalsContact C-N 3.31Å; F686-L688 PolarHBondContact O-N 3.25Å; F686-N689 PolarHBondContact O-N 3.37Å; F686-F690 PolarHBondContact O-N 3.49Å
687	F	98.9	Very high	97.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.6	-32.7	-178.1	-66.5	-65.8	0	0	0	112.1	F83 Y659 K683 Q684 F690 A691 L723 E728 F729 A732 F733	F83-F687 HydrophobicContact CE1-CB 4.37Å; F83-F687 HydrophobicContact CZ-CB 4.3Å; Y659-F687 HydrophobicContact CD2-CE1 4.33Å; Y659-F687 AromaticContact CD2-CE2 3.94Å; Y659-F687 HydrophobicContact CD2-CE2 3.94Å; Y659-F687 AromaticContact CD2-CZ 3.62Å; Y659-F687 HydrophobicContact CD2-CZ 3.62Å; Y659-F687 AromaticContact CE2-CE2 3.64Å; Y659-F687 HydrophobicContact CE2-CE2 3.64Å; Y659-F687 AromaticContact CE2-CZ 3.74Å; Y659-F687 HydrophobicContact CE2-CZ 3.74Å; Y659-F687 HydrophobicContact CG-CZ 4.14Å; K683-F687 VanDerWaalsContact O-CD2 3.22Å; K683-F687 WeakPolarHBondContact O-CD2 3.32Å; Q684-F687 PolarHBondContact O-N 3.08Å; F687-F690 WeakPolarHBondContact O-CB 3.43Å; F687-F690 PolarHBondContact O-N 3.35Å; F687-A691 WeakPolarHBondContact O-CB 3.27Å; F687-A691 PolarHBondContact O-N 2.88Å; F687-L723 HydrophobicContact CD1-CD2 3.51Å; F687-L723 HydrophobicContact CE1-CD2 4.05Å; F687-L723 HydrophobicContact CG-CD2 4.39Å; F687-E728 HydrophobicContact CZ-CB 4.08Å; F687-F729 HydrophobicContact CB-CD2 3.97Å; F687-F729 HydrophobicContact CB-CE2 4.48Å; F687-F729 HydrophobicContact CD1-CB 4.13Å; F687-F729 HydrophobicContact CD1-CD2 4.13Å; F687-F729 HydrophobicContact CD2-CB 4.37Å; F687-F729 HydrophobicContact CD2-CD2 4.13Å; F687-F729 HydrophobicContact CE1-CB 3.89Å; F687-F729 HydrophobicContact CE2-CB 4.15Å; F687-F729 HydrophobicContact CG-CB 4.37Å; F687-F729 AromaticContact CG-CD2 3.82Å; F687-F729 HydrophobicContact CG-CD2 3.82Å; F687-F729 HydrophobicContact CZ-CB 3.91Å; F687-A732 HydrophobicContact CD2-CB 4.09Å; F687-A732 HydrophobicContact CE2-CB 3.97Å; F687-F733 HydrophobicContact CB-CE2 4.03Å; F687-F733 HydrophobicContact CD2-CE2 4.3Å
688	L	98.8	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.8	-42.3	175.3	-169.8	59.8	0	0	0	111.6	I69 M73 F83 Y86 A87 M680 Q684 L685 F686 A691 Q692	I69-L688 HydrophobicContact CG2-CD2 3.31Å; I69-L688 HydrophobicContact CG2-CG 4.09Å; M73-L688 HydrophobicContact SD-CD2 4.48Å; F83-L688 HydrophobicContact CZ-CD1 4.37Å; Y86-L688 HydrophobicContact CD1-CD1 4.27Å; Y86-L688 HydrophobicContact CE1-CD1 4.07Å; A87-L688 HydrophobicContact CB-CD1 3.72Å; M680-L688 HydrophobicContact CE-CD2 3.99Å; M680-L688 HydrophobicContact SD-CD2 3.7Å; Q684-L688 WeakPolarHBondContact O-CB 3.43Å; Q684-L688 PolarHBondContact O-N 3.39Å; L685-L688 HydrophobicContact CD2-CD2 4.43Å; F686-L688 VanDerWaalsContact C-N 3.31Å; F686-L688 PolarHBondContact O-N 3.25Å; L688-A691 PolarHBondContact O-N 3.38Å; L688-Q692 WeakPolarHBondContact O-CB 3.37Å; L688-Q692 VanDerWaalsContact O-CG 3.31Å; L688-Q692 WeakPolarHBondContact O-CG 3.35Å; L688-Q692 PolarHBondContact O-N 3.33Å
689	N	98.8	Very high	98.2	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-67.1	-41.1	175.5	-160.8	60.5	0	0	0	111.9	R68 P563 L573 L685 F686 A691 Q692 V693	R68-N689 PolarHBondContact NH2-OD1 2.94Å; P563-N689 PolarHBondContact O-ND2 3.39Å; L573-N689 HydrophobicContact CB-CB 4.38Å; L573-N689 HydrophobicContact CD2-CB 3.73Å; L573-N689 PolarHBondContact O-ND2 3.29Å; L685-N689 WeakPolarHBondContact O-CB 3.46Å; L685-N689 PolarHBondContact O-N 3.41Å; F686-N689 PolarHBondContact O-N 3.37Å; N689-A691 VanDerWaalsContact C-N 3.34Å; N689-A691 PolarHBondContact O-N 2.89Å; N689-Q692 PolarHBondContact O-N 3.15Å; N689-V693 WeakPolarHBondContact O-CG2 3.4Å; N689-V693 PolarHBondContact O-N 3.12Å
690	F	98.9	Very high	98.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-53.3	-50.8	171.9	161.5	-97.3	0	0	0	111.3	G576 M580 V655 F686 F687 Q692 V693 W694 V719 L723	G576-F690 WeakPolarHBondContact O-CA 3.4Å; G576-F690 WeakPolarHBondContact O-CB 3.44Å; G576-F690 PolarHBondContact O-N 2.95Å; M580-F690 HydrophobicContact CB-CD2 4.34Å; M580-F690 HydrophobicContact CE-CD2 3.53Å; M580-F690 HydrophobicContact CE-CE2 3.61Å; M580-F690 HydrophobicContact CG-CD2 3.72Å; M580-F690 HydrophobicContact CG-CE2 3.88Å; M580-F690 HydrophobicContact SD-CD2 4.26Å; M580-F690 HydrophobicContact SD-CE2 4.08Å; V655-F690 HydrophobicContact CB-CD2 4.3Å; V655-F690 HydrophobicContact CB-CE2 4.08Å; V655-F690 HydrophobicContact CG2-CD1 4.45Å; V655-F690 HydrophobicContact CG2-CD2 3.81Å; V655-F690 HydrophobicContact CG2-CE2 4Å; V655-F690 HydrophobicContact CG2-CG 4.04Å; V655-F690 HydrophobicContact CG2-CZ 4.42Å; F686-F690 PolarHBondContact O-N 3.49Å; F687-F690 WeakPolarHBondContact O-CB 3.43Å; F687-F690 PolarHBondContact O-N 3.35Å; F690-Q692 VanDerWaalsContact C-N 3.34Å; F690-Q692 PolarHBondContact O-N 2.88Å; F690-V693 PolarHBondContact O-N 2.86Å; F690-W694 AromaticContact CE2-NE1 3.7Å; F690-V719 HydrophobicContact CE1-CB 4.49Å; F690-V719 HydrophobicContact CE1-CG1 4.46Å; F690-V719 HydrophobicContact CE1-CG2 4.36Å; F690-L723 HydrophobicContact CD1-CD1 4.16Å; F690-L723 HydrophobicContact CD1-CD2 3.86Å; F690-L723 HydrophobicContact CD1-CG 4.16Å; F690-L723 HydrophobicContact CE1-CD1 4.06Å; F690-L723 HydrophobicContact CE1-CD2 3.77Å; F690-L723 HydrophobicContact CE1-CG 3.74Å
691	A	98.9	Very high	98.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.9	-38.5	179.5	0	0	0	0	0	112.1	F83 A87 F687 L688 N689 V693 W694 V719	F83-A691 HydrophobicContact CD1-CB 3.81Å; F83-A691 HydrophobicContact CE1-CB 3.61Å; A87-A691 HydrophobicContact CB-CB 3.48Å; A87-A691 VanDerWaalsContact CB-CB 3.48Å; F687-A691 WeakPolarHBondContact O-CB 3.27Å; F687-A691 PolarHBondContact O-N 2.88Å; L688-A691 PolarHBondContact O-N 3.38Å; N689-A691 VanDerWaalsContact C-N 3.34Å; N689-A691 PolarHBondContact O-N 2.89Å; A691-V693 VanDerWaalsContact C-N 3.32Å; A691-V693 PolarHBondContact O-N 3.49Å; A691-W694 PolarHBondContact O-N 2.91Å; A691-W694 VanDerWaalsContact O-N 3.08Å; A691-V719 HydrophobicContact CB-CG1 3.69Å; A691-V719 HydrophobicContact CB-CG2 4.1Å
692	Q	98.8	Very high	98.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69.2	-26.5	-178.6	-76.7	-172.4	0.4	0	0	114	I69 N72 A87 N106 L688 N689 F690 W694 C695	I69-Q692 PolarHBondContact O-NE2 2.85Å; N72-Q692 HydrophobicContact CB-CG 4.34Å; A87-Q692 HydrophobicContact CB-CG 4.42Å; A87-Q692 WeakPolarHBondContact O-CG 3.49Å; A87-Q692 PolarHBondContact O-NE2 2.86Å; N106-Q692 PolarHBondContact ND2-O 2.98Å; L688-Q692 WeakPolarHBondContact O-CB 3.37Å; L688-Q692 VanDerWaalsContact O-CG 3.31Å; L688-Q692 WeakPolarHBondContact O-CG 3.35Å; L688-Q692 PolarHBondContact O-N 3.33Å; N689-Q692 PolarHBondContact O-N 3.15Å; F690-Q692 VanDerWaalsContact C-N 3.34Å; F690-Q692 PolarHBondContact O-N 2.88Å; Q692-W694 PolarHBondContact O-N 3.03Å; Q692-W694 VanDerWaalsContact O-N 3.17Å; Q692-C695 VanDerWaalsContact CA-SG 3.56Å; Q692-C695 PolarHBondContact O-N 3.28Å
693	V	98.3	Very high	98.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-53.3	-34.4	169.4	161.3	0	0	0	0	111.3	F107 P563 F564 N689 F690 A691	F107-V693 HydrophobicContact CE2-CG1 3.56Å; F107-V693 HydrophobicContact CZ-CG1 4.06Å; P563-V693 HydrophobicContact CG-CG2 4.24Å; F564-V693 HydrophobicContact CD1-CG1 4.18Å; F564-V693 HydrophobicContact CD1-CG2 3.99Å; F564-V693 HydrophobicContact CE1-CB 4.27Å; F564-V693 HydrophobicContact CE1-CG1 3.33Å; F564-V693 HydrophobicContact CE1-CG2 3.92Å; F564-V693 HydrophobicContact CZ-CG1 3.85Å; N689-V693 WeakPolarHBondContact O-CG2 3.4Å; N689-V693 PolarHBondContact O-N 3.12Å; F690-V693 PolarHBondContact O-N 2.86Å; A691-V693 VanDerWaalsContact C-N 3.32Å; A691-V693 PolarHBondContact O-N 3.49Å
694	W	98.6	Very high	98.7	Very high	30 Å²	30	18.1 Å²	18.1	11%	0.114	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	5	-175.3	-55.8	111.6	0	0	0	114.8	Y84 F107 M580 F690 A691 Q692 G696 V719	Y84-W694 PolarHBondContact OH-O 2.82Å; F107-W694 HydrophobicContact CD2-CE3 4.46Å; F107-W694 HydrophobicContact CD2-CZ3 4.42Å; F107-W694 AromaticContact CE2-CE3 3.76Å; F107-W694 HydrophobicContact CE2-CE3 3.76Å; F107-W694 HydrophobicContact CE2-CH2 4.15Å; F107-W694 AromaticContact CE2-CZ3 3.54Å; F107-W694 HydrophobicContact CE2-CZ3 3.54Å; F107-W694 HydrophobicContact CZ-CH2 4.16Å; F107-W694 AromaticContact CZ-CZ3 3.93Å; F107-W694 HydrophobicContact CZ-CZ3 3.93Å; M580-W694 HydrophobicContact CE-CZ2 3.63Å; F690-W694 AromaticContact CE2-NE1 3.7Å; A691-W694 PolarHBondContact O-N 2.91Å; A691-W694 VanDerWaalsContact O-N 3.08Å; Q692-W694 PolarHBondContact O-N 3.03Å; Q692-W694 VanDerWaalsContact O-N 3.17Å; W694-G696 PolarHBondContact O-N 2.94Å; W694-G696 VanDerWaalsContact O-N 3.11Å; W694-V719 HydrophobicContact CB-CG2 3.7Å; W694-V719 HydrophobicContact CG-CG2 3.94Å
695	C	98.8	Very high	98.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.084	C	C	.	.			trans	-59	120.5	176.9	-65.5	0	0	0	0	110.5	C88 W91 S105 N106 Q692	C88-C695 WeakPolarHBondContact CA-SG 3.23Å; C88-C695 HydrophobicContact CB-CB 3.78Å; C88-C695 WeakPolarHBondContact CB-SG 3.2Å; C88-C695 WeakPolarHBondContact SG-CA 3.45Å; C88-C695 WeakPolarHBondContact SG-CB 3.41Å; C88-C695 CovalentContact SG-SG 2.04Å; C88-C695 PolarHBondContact SG-SG 3.01Å; W91-C695 HydrophobicContact CB-CB 4.34Å; W91-C695 HydrophobicContact CD2-CB 4.1Å; W91-C695 HydrophobicContact CE3-CB 4.4Å; W91-C695 HydrophobicContact CG-CB 4.05Å; S105-C695 CarbonylContact C-O 3.26Å; S105-C695 WeakPolarHBondContact CA-O 3.14Å; S105-C695 VanDerWaalsContact CB-O 3.27Å; S105-C695 WeakPolarHBondContact CB-O 3.48Å; N106-C695 PolarHBondContact N-O 3.41Å; Q692-C695 VanDerWaalsContact CA-SG 3.56Å; Q692-C695 PolarHBondContact O-N 3.28Å
696	G	98.4	Very high	98.6	Very high	6 Å²	6	17 Å²	17	6%	0.062	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	171.3	-177.9	0	0	0	0	0	113.9	Y84 W91 Y104 W694	Y84-G696 PolarHBondContact OH-N 3.11Å; Y84-G696 PolarHBondContact OH-O 3.42Å; W91-G696 VanDerWaalsContact CZ3-CA 3.48Å; Y104-G696 CarbonylContact O-C 3.34Å; Y104-G696 WeakPolarHBondContact O-CA 3.46Å; W694-G696 PolarHBondContact O-N 2.94Å; W694-G696 VanDerWaalsContact O-N 3.11Å
697	T	98.6	Very high	98.6	Very high	37 Å²	37	17.6 Å²	17.6	23%	0.227	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	162.9	174	-172.5	0	0	0	0	111.1	W91 L92 I97 R103 Y104	W91-T697 HydrophobicContact CZ3-CG2 4.31Å; L92-T697 HydrophobicContact CD2-CG2 4.48Å; I97-T697 HydrophobicContact CD1-CG2 3.87Å; I97-T697 HydrophobicContact CG1-CG2 3.64Å; R103-T697 WeakPolarHBondContact CA-O 3.44Å; R103-T697 WeakPolarHBondContact CG-O 3.34Å; Y104-T697 PolarHBondContact N-O 2.89Å; Y104-T697 PolarHBondContact O-N 3.28Å
698	Y	98.8	Very high	98.5	Very high	25 Å²	25	20.4 Å²	20.4	10%	0.098	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.7	-169.4	-64.3	-116.4	0	0	0	110.2	R103 W631 Y702 P714	R103-Y698 HydrophobicContact CB-CD1 4.01Å; R103-Y698 HydrophobicContact CB-CE1 4.3Å; R103-Y698 HydrophobicContact CB-CG 4.29Å; R103-Y698 WeakPolarHBondContact CD-OH 3.43Å; R103-Y698 HydrophobicContact CG-CD1 3.88Å; R103-Y698 HydrophobicContact CG-CD2 4.01Å; R103-Y698 HydrophobicContact CG-CE1 3.88Å; R103-Y698 HydrophobicContact CG-CE2 3.96Å; R103-Y698 HydrophobicContact CG-CG 3.94Å; W631-Y698 AromaticContact CH2-CD1 3.78Å; W631-Y698 HydrophobicContact CH2-CD1 3.78Å; W631-Y698 HydrophobicContact CH2-CD2 4.3Å; W631-Y698 HydrophobicContact CH2-CE1 4.04Å; W631-Y698 AromaticContact CH2-CG 3.93Å; W631-Y698 HydrophobicContact CH2-CG 3.93Å; W631-Y698 HydrophobicContact CZ2-CD1 4.04Å; W631-Y698 AromaticContact CZ2-CD2 3.75Å; W631-Y698 HydrophobicContact CZ2-CD2 3.75Å; W631-Y698 HydrophobicContact CZ2-CE1 4.42Å; W631-Y698 HydrophobicContact CZ2-CE2 4.22Å; W631-Y698 AromaticContact CZ2-CG 3.69Å; W631-Y698 HydrophobicContact CZ2-CG 3.69Å; Y698-Y702 AromaticContact CD1-CD1 3.7Å; Y698-Y702 HydrophobicContact CD1-CD1 3.7Å; Y698-Y702 AromaticContact CD1-CE1 3.91Å; Y698-Y702 HydrophobicContact CD1-CE1 3.91Å; Y698-Y702 HydrophobicContact CE1-CD1 4.36Å; Y698-Y702 HydrophobicContact CE1-CE1 4.1Å; Y698-P714 HydrophobicContact CE2-CB 4.4Å
699	R	98.7	Very high	98.3	Very high	40 Å²	40	23.4 Å²	23.4	15%	0.151	12%	0.119	C	C	.	.			trans	-72.2	145.5	165.6	-67.2	-172.7	179.7	-92.7	-0.3	109.5	I97 P98 E99 S101 S102 G400 E701 Y702 A703	I97-R699 HydrophobicContact CD1-CG 3.74Å; I97-R699 HydrophobicContact CG2-CG 4.14Å; I97-R699 PolarHBondContact O-NH2 3.29Å; I97-R699 VanDerWaalsContact O-NH2 3.07Å; P98-R699 PolarHBondContact O-NH2 3.48Å; E99-R699 IonicContact OE1-CZ 3.35Å; E99-R699 IonicContact OE1-NH1 3.08Å; E99-R699 IonicContact OE1-NH2 3.71Å; E99-R699 PolarHBondContact OE1-NH2 3.3Å; S101-R699 WeakPolarHBondContact O-CD 3.42Å; S101-R699 PolarHBondContact O-NE 3.28Å; S102-R699 PolarHBondContact O-N 3.34Å; G400-R699 VanDerWaalsContact C-CD 3.48Å; G400-R699 WeakPolarHBondContact O-CD 3.4Å; R699-E701 VanDerWaalsContact C-N 3.29Å; R699-E701 PolarHBondContact O-N 2.95Å; R699-Y702 CarbonylContact O-C 3.41Å; R699-Y702 PolarHBondContact O-N 2.99Å; R699-A703 PolarHBondContact O-N 2.92Å
700	P	98.6	Very high	98.3	Very high	71 Å²	71	25.2 Å²	25.2	46%	0.461	13%	0.129	S	C	.	.	H	α-helix	trans	-55.4	-41.9	-178.2	-27.4	35.8	0	0	0	113.9	L633 Y702 A703 I704	L633-P700 WeakPolarHBondContact O-CA 3.45Å; P700-Y702 VanDerWaalsContact C-N 3.3Å; P700-Y702 PolarHBondContact O-N 2.98Å; P700-A703 PolarHBondContact O-N 2.83Å; P700-I704 WeakPolarHBondContact O-CG1 3.48Å; P700-I704 PolarHBondContact O-N 2.97Å
701	E	98.6	Very high	98.2	Very high	66 Å²	66	28.7 Å²	28.7	31%	0.308	15%	0.15	S	C	.	.	H	α-helix	trans	-60.8	-42.2	177.8	-57.7	88.3	162.4	0	0	111.2	G400 R699 I704 N705	G400-E701 WeakPolarHBondContact CA-OE2 3.25Å; R699-E701 VanDerWaalsContact C-N 3.29Å; R699-E701 PolarHBondContact O-N 2.95Å; E701-I704 PolarHBondContact O-N 2.98Å; E701-N705 PolarHBondContact O-N 3.33Å; E701-N705 VanDerWaalsContact O-N 3.13Å
702	Y	98.8	Very high	98.2	Very high	42 Å²	42	31.6 Å²	31.6	17%	0.165	16%	0.164	C	C	.	.	H	α-helix	trans	-75.7	-28.9	178.3	-171.7	-120.8	0	0	0	113	S102 R103 Y399 Y698 R699 P700 N705 S706	S102-Y702 VanDerWaalsContact CB-CG 3.48Å; S102-Y702 WeakPolarHBondContact O-CD1 3.32Å; S102-Y702 WeakPolarHBondContact OG-CD1 3.4Å; R103-Y702 HydrophobicContact CB-CD1 3.96Å; R103-Y702 HydrophobicContact CB-CE1 3.87Å; Y399-Y702 AromaticContact CD1-CD2 3.78Å; Y399-Y702 HydrophobicContact CD1-CD2 3.78Å; Y399-Y702 HydrophobicContact CD1-CE2 4.12Å; Y399-Y702 HydrophobicContact CE1-CD2 4.36Å; Y399-Y702 HydrophobicContact CE1-CE2 4.33Å; Y698-Y702 AromaticContact CD1-CD1 3.7Å; Y698-Y702 HydrophobicContact CD1-CD1 3.7Å; Y698-Y702 AromaticContact CD1-CE1 3.91Å; Y698-Y702 HydrophobicContact CD1-CE1 3.91Å; Y698-Y702 HydrophobicContact CE1-CD1 4.36Å; Y698-Y702 HydrophobicContact CE1-CE1 4.1Å; R699-Y702 CarbonylContact O-C 3.41Å; R699-Y702 PolarHBondContact O-N 2.99Å; P700-Y702 VanDerWaalsContact C-N 3.3Å; P700-Y702 PolarHBondContact O-N 2.98Å; Y702-N705 HydrophobicContact CD2-CB 4.18Å; Y702-N705 WeakPolarHBondContact O-CB 3.09Å; Y702-N705 PolarHBondContact O-N 2.81Å; Y702-S706 WeakPolarHBondContact O-CB 3.37Å; Y702-S706 PolarHBondContact O-N 3.42Å; Y702-S706 PolarHBondContact O-OG 2.86Å
703	A	98.7	Very high	98.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.5	-41.4	172.3	0	0	0	0	0	111.5	W631 L633 A634 R699 P700 N705 S706 I707	W631-A703 HydrophobicContact CD2-CB 4.4Å; W631-A703 HydrophobicContact CE3-CB 4.19Å; W631-A703 HydrophobicContact CH2-CB 3.52Å; W631-A703 HydrophobicContact CZ2-CB 3.75Å; W631-A703 HydrophobicContact CZ3-CB 3.74Å; W631-A703 WeakPolarHBondContact CZ3-O 3.37Å; L633-A703 HydrophobicContact CB-CB 3.75Å; A634-A703 HydrophobicContact CB-CB 4.16Å; R699-A703 PolarHBondContact O-N 2.92Å; P700-A703 PolarHBondContact O-N 2.83Å; A703-N705 VanDerWaalsContact C-N 3.25Å; A703-N705 PolarHBondContact O-N 3.05Å; A703-S706 PolarHBondContact O-OG 2.77Å; A703-I707 WeakPolarHBondContact O-CB 3.13Å; A703-I707 WeakPolarHBondContact O-CG2 3.33Å; A703-I707 PolarHBondContact O-N 3.31Å
704	I	98.4	Very high	98.2	Very high	28 Å²	28	32 Å²	32	14%	0.144	17%	0.166	C	C	.	.	H	α-helix	trans	-62.4	-34.7	172.2	-68.3	158.3	0	0	0	111.4	A237 Y238 P700 E701 I707	A237-I704 HydrophobicContact CB-CD1 4.05Å; A237-I704 HydrophobicContact CB-CG2 4.22Å; Y238-I704 HydrophobicContact CD1-CG2 4.19Å; Y238-I704 HydrophobicContact CE1-CG2 3.66Å; P700-I704 WeakPolarHBondContact O-CG1 3.48Å; P700-I704 PolarHBondContact O-N 2.97Å; E701-I704 PolarHBondContact O-N 2.98Å; I704-I707 WeakPolarHBondContact O-CG2 3.42Å
705	N	98.4	Very high	98.2	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.027	16%	0.164	C	C	.	.	H	α-helix	trans	-69.4	-59.2	174.9	-167	-23.9	0	0	0	111.6	P227 Y231 L398 E701 Y702 A703 I707 K708 T709	P227-N705 WeakPolarHBondContact CB-OD1 3.5Å; P227-N705 WeakPolarHBondContact CG-ND2 3.32Å; Y231-N705 WeakPolarHBondContact OH-CA 3.25Å; Y231-N705 VanDerWaalsContact OH-CB 3.29Å; Y231-N705 WeakPolarHBondContact OH-CB 3.19Å; Y231-N705 PolarHBondContact OH-N 3.27Å; L398-N705 PolarHBondContact O-ND2 3.4Å; L398-N705 VanDerWaalsContact O-ND2 3.14Å; E701-N705 PolarHBondContact O-N 3.33Å; E701-N705 VanDerWaalsContact O-N 3.13Å; Y702-N705 HydrophobicContact CD2-CB 4.18Å; Y702-N705 WeakPolarHBondContact O-CB 3.09Å; Y702-N705 PolarHBondContact O-N 2.81Å; A703-N705 VanDerWaalsContact C-N 3.25Å; A703-N705 PolarHBondContact O-N 3.05Å; N705-I707 VanDerWaalsContact C-N 3.3Å; N705-I707 PolarHBondContact O-N 3.1Å; N705-K708 PolarHBondContact O-N 3.36Å; N705-T709 PolarHBondContact O-N 3.31Å; N705-T709 PolarHBondContact O-OG1 3.38Å; N705-T709 PolarHBondContact OD1-OG1 3Å
706	S	98.1	Very high	98.2	Very high	6 Å²	6	33.8 Å²	33.8	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-64	-32.6	-173.1	70	0	0	0	0	112.7	W631 Y702 A703 K708 T709 D710	W631-S706 WeakPolarHBondContact CH2-OG 3.27Å; W631-S706 WeakPolarHBondContact CZ3-OG 3.35Å; Y702-S706 WeakPolarHBondContact O-CB 3.37Å; Y702-S706 PolarHBondContact O-N 3.42Å; Y702-S706 PolarHBondContact O-OG 2.86Å; A703-S706 PolarHBondContact O-OG 2.77Å; S706-K708 PolarHBondContact O-N 2.97Å; S706-K708 VanDerWaalsContact O-N 3.1Å; S706-T709 PolarHBondContact O-N 3Å; S706-D710 WeakPolarHBondContact O-CA 3.27Å; S706-D710 WeakPolarHBondContact O-CB 3.48Å; S706-D710 PolarHBondContact O-N 3.19Å
707	I	97.6	Very high	98.2	Very high	14 Å²	14	34 Å²	34	7%	0.072	18%	0.176	C	C	.	.	H	α-helix	trans	-63.3	-17.1	176.8	-155.2	177	0	0	0	113.2	W631 A634 Q637 H638 L639 A703 I704 N705	W631-I707 HydrophobicContact CE3-CB 4.15Å; W631-I707 HydrophobicContact CE3-CD1 4.14Å; W631-I707 HydrophobicContact CE3-CG1 4.26Å; W631-I707 HydrophobicContact CZ3-CB 4.15Å; A634-I707 HydrophobicContact CB-CD1 3.95Å; A634-I707 HydrophobicContact CB-CG2 4.42Å; Q637-I707 HydrophobicContact CB-CD1 3.72Å; H638-I707 WeakPolarHBondContact O-CD1 3.47Å; L639-I707 HydrophobicContact CD2-CD1 4.06Å; L639-I707 HydrophobicContact CD2-CG1 4.02Å; A703-I707 WeakPolarHBondContact O-CB 3.13Å; A703-I707 WeakPolarHBondContact O-CG2 3.33Å; A703-I707 PolarHBondContact O-N 3.31Å; I704-I707 WeakPolarHBondContact O-CG2 3.42Å; N705-I707 VanDerWaalsContact C-N 3.3Å; N705-I707 PolarHBondContact O-N 3.1Å
708	K	96.4	Very high	98.2	Very high	59 Å²	59	32.9 Å²	32.9	26%	0.257	17%	0.168	S	C	.	.	H	α-helix	trans	-104.1	-25.7	176.4	-58.1	-54.8	178.7	-160.6	0	113.8	Y238 Q637 N705 S706	Y238-K708 WeakPolarHBondContact OH-CE 3.47Å; Q637-K708 VanDerWaalsContact OE1-NZ 3.07Å; N705-K708 PolarHBondContact O-N 3.36Å; S706-K708 PolarHBondContact O-N 2.97Å; S706-K708 VanDerWaalsContact O-N 3.1Å
709	T	96.4	Very high	98.3	Very high	62 Å²	62	31.7 Å²	31.7	38%	0.38	16%	0.163	S	C	.	.	H	α-helix	trans	-115.5	-26.6	-170.1	62.5	0	0	0	0	114.7	P227 N705 S706	P227-T709 HydrophobicContact CB-CG2 3.69Å; P227-T709 WeakPolarHBondContact O-CG2 3.25Å; N705-T709 PolarHBondContact O-N 3.31Å; N705-T709 PolarHBondContact O-OG1 3.38Å; N705-T709 PolarHBondContact OD1-OG1 3Å; S706-T709 PolarHBondContact O-N 3Å
710	D	97.4	Very high	98.3	Very high	39 Å²	39	30 Å²	30	21%	0.209	16%	0.157	C	C	.	.			trans	-84.8	130.4	-179.7	-159.4	-13	0	0	0	108.9	S706 H712	S706-D710 WeakPolarHBondContact O-CA 3.27Å; S706-D710 WeakPolarHBondContact O-CB 3.48Å; S706-D710 PolarHBondContact O-N 3.19Å; D710-H712 IonicContact OD1-CE1 2.98Å; D710-H712 IonicContact OD1-CG 2.92Å; D710-H712 PolarHBondContact OD1-N 3.36Å; D710-H712 IonicContact OD1-ND1 3.39Å; D710-H712 PolarHBondContact OD1-ND1 3.1Å
711	V	97.4	Very high	98.3	Very high	72 Å²	72	26.6 Å²	26.6	44%	0.436	14%	0.135	S	C	.	.	S	Bend	trans	-78.3	-11.6	173.4	-63.7	0	0	0	0	111.3	T644 E647	T644-V711 WeakPolarHBondContact CA-O 3.23Å; E647-V711 HydrophobicContact CG-CB 4.3Å; E647-V711 HydrophobicContact CG-CG2 3.96Å; E647-V711 VanDerWaalsContact CG-O 3.25Å; E647-V711 WeakPolarHBondContact CG-O 3.44Å
712	H	98.6	Very high	98.3	Very high	61 Å²	61	23.5 Å²	23.5	28%	0.282	12%	0.12	S	C	.	.	S	Bend	trans	-89.9	140.8	175.7	-51.2	90.2	0	0	0	111.3	E647 D710 R718	E647-H712 VanDerWaalsContact CD-NE2 3.28Å; E647-H712 HydrophobicContact CG-CB 4.46Å; E647-H712 WeakPolarHBondContact CG-CD2 3.41Å; E647-H712 IonicContact OE1-CD2 3.86Å; E647-H712 IonicContact OE1-NE2 3.22Å; E647-H712 IonicContact OE2-CD2 3.82Å; E647-H712 PolarHBondContact OE2-CD2 2.92Å; E647-H712 IonicContact OE2-NE2 3.02Å; E647-H712 PolarHBondContact OE2-NE2 3.4Å; D710-H712 IonicContact OD1-CE1 2.98Å; D710-H712 IonicContact OD1-CG 2.92Å; D710-H712 PolarHBondContact OD1-N 3.36Å; D710-H712 IonicContact OD1-ND1 3.39Å; D710-H712 PolarHBondContact OD1-ND1 3.1Å; H712-R718 PolarHBondContact CD2-NH1 3.21Å
713	S	98.8	Very high	98.3	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.014	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-59.6	147.3	161.8	-72.6	0	0	0	0	110.4	Y626 N648 R718	Y626-S713 VanDerWaalsContact CD1-OG 3.27Å; Y626-S713 WeakPolarHBondContact CD1-OG 3.5Å; N648-S713 WeakPolarHBondContact OD1-CB 3.3Å; N648-S713 PolarHBondContact OD1-OG 3.38Å; S713-R718 VanDerWaalsContact O-CD 3.28Å; S713-R718 WeakPolarHBondContact O-CD 3.4Å; S713-R718 VanDerWaalsContact O-CG 3.25Å; S713-R718 WeakPolarHBondContact O-CG 3.42Å
714	P	98.7	Very high	98.3	Very high	7 Å²	7	22 Å²	22	5%	0.045	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-55.7	145.7	172	-24.5	33.3	0	0	0	111.4	W631 L639 Y698 K716 F717 R718	W631-P714 HydrophobicContact CD2-CB 4.38Å; W631-P714 HydrophobicContact CD2-CG 3.74Å; W631-P714 HydrophobicContact CE3-CG 3.55Å; W631-P714 HydrophobicContact CH2-CB 3.94Å; W631-P714 HydrophobicContact CH2-CG 3.56Å; W631-P714 HydrophobicContact CZ2-CB 3.72Å; W631-P714 HydrophobicContact CZ2-CG 3.73Å; W631-P714 HydrophobicContact CZ3-CB 4.35Å; W631-P714 HydrophobicContact CZ3-CG 3.47Å; W631-P714 VanDerWaalsContact CZ3-CG 3.47Å; L639-P714 HydrophobicContact CD2-CG 3.94Å; Y698-P714 HydrophobicContact CE2-CB 4.4Å; P714-K716 PolarHBondContact O-N 3Å; P714-F717 HydrophobicContact CB-CD2 4.07Å; P714-F717 HydrophobicContact CG-CD2 4.02Å; P714-F717 WeakPolarHBondContact O-CA 3.45Å; P714-F717 PolarHBondContact O-N 3.15Å; P714-R718 PolarHBondContact O-N 3.34Å; P714-R718 VanDerWaalsContact O-N 3.08Å
715	G	98.5	Very high	98.3	Very high	7 Å²	7	20.8 Å²	20.8	7%	0.072	11%	0.109	C	C	.	.	H	α-helix	trans	-48.8	-39.8	-173.2	0	0	0	0	0	114.6	F717 R718 V719	G715-F717 VanDerWaalsContact C-N 3.34Å; G715-F717 PolarHBondContact O-N 3.15Å; G715-R718 PolarHBondContact O-N 2.78Å; G715-V719 WeakPolarHBondContact O-CG2 3.28Å; G715-V719 PolarHBondContact O-N 3.19Å; G715-V719 VanDerWaalsContact O-N 3.12Å
716	K	98.6	Very high	98.3	Very high	61 Å²	61	20.9 Å²	20.9	27%	0.265	11%	0.11	S	C	.	.	H	α-helix	trans	-53.3	-47.2	172.9	176.9	174.4	-179.3	176.8	0	113.1	Y84 P714 V719 I720	Y84-K716 HydrophobicContact CD1-CB 3.88Å; Y84-K716 HydrophobicContact CD1-CD 4.1Å; Y84-K716 HydrophobicContact CD1-CG 3.71Å; Y84-K716 HydrophobicContact CD2-CB 4.25Å; Y84-K716 HydrophobicContact CE1-CB 3.87Å; Y84-K716 HydrophobicContact CE1-CD 4.5Å; Y84-K716 HydrophobicContact CE1-CG 4.18Å; Y84-K716 HydrophobicContact CE2-CB 4.26Å; Y84-K716 HydrophobicContact CG-CB 4.06Å; Y84-K716 HydrophobicContact CG-CG 3.87Å; P714-K716 PolarHBondContact O-N 3Å; K716-V719 PolarHBondContact O-N 3.33Å; K716-I720 HydrophobicContact CD-CD1 4.41Å; K716-I720 HydrophobicContact CG-CD1 3.77Å; K716-I720 WeakPolarHBondContact O-CG1 3.47Å; K716-I720 PolarHBondContact O-N 2.92Å
717	F	98.9	Very high	98.3	Very high	9 Å²	9	23.5 Å²	23.5	4%	0.039	13%	0.127	C	C	.	.	H	α-helix	trans	-81.2	-25.4	-176.8	-61.5	-61.3	0	0	0	112.8	Y626 F629 S630 W631 L639 P714 G715 V719 G721	Y626-F717 WeakPolarHBondContact CE1-O 3.28Å; F629-F717 HydrophobicContact CB-CD1 3.68Å; F629-F717 HydrophobicContact CB-CE1 3.7Å; F629-F717 HydrophobicContact CB-CG 4.12Å; F629-F717 HydrophobicContact CB-CZ 4.14Å; F629-F717 AromaticContact CD1-CD1 3.93Å; F629-F717 HydrophobicContact CD1-CD1 3.93Å; F629-F717 HydrophobicContact CD1-CE1 4.1Å; F629-F717 HydrophobicContact CD2-CB 3.98Å; F629-F717 AromaticContact CD2-CD1 3.73Å; F629-F717 HydrophobicContact CD2-CD1 3.73Å; F629-F717 HydrophobicContact CD2-CG 4.04Å; F629-F717 HydrophobicContact CE2-CB 4.4Å; F629-F717 HydrophobicContact CE2-CD1 4.35Å; F629-F717 AromaticContact CG-CD1 3.51Å; F629-F717 HydrophobicContact CG-CD1 3.51Å; F629-F717 AromaticContact CG-CE1 3.88Å; F629-F717 HydrophobicContact CG-CE1 3.88Å; F629-F717 HydrophobicContact CG-CG 4.15Å; S630-F717 WeakPolarHBondContact O-CZ 3.38Å; W631-F717 HydrophobicContact CB-CE2 3.88Å; W631-F717 HydrophobicContact CB-CZ 4.42Å; W631-F717 AromaticContact CD1-CE2 3.77Å; W631-F717 AromaticContact CG-CE2 3.81Å; W631-F717 HydrophobicContact CG-CE2 3.81Å; L639-F717 HydrophobicContact CD1-CB 3.96Å; L639-F717 HydrophobicContact CD1-CD2 3.77Å; L639-F717 HydrophobicContact CD1-CE2 4.5Å; L639-F717 HydrophobicContact CD1-CG 3.96Å; L639-F717 HydrophobicContact CD2-CD2 4.26Å; L639-F717 HydrophobicContact CD2-CE2 4.44Å; L639-F717 HydrophobicContact CG-CD2 4.38Å; P714-F717 HydrophobicContact CB-CD2 4.07Å; P714-F717 HydrophobicContact CG-CD2 4.02Å; P714-F717 WeakPolarHBondContact O-CA 3.45Å; P714-F717 PolarHBondContact O-N 3.15Å; G715-F717 VanDerWaalsContact C-N 3.34Å; G715-F717 PolarHBondContact O-N 3.15Å; F717-V719 VanDerWaalsContact C-N 3.29Å; F717-V719 PolarHBondContact O-N 2.82Å; F717-G721 WeakPolarHBondContact O-CA 3.37Å; F717-G721 PolarHBondContact O-N 3.34Å
718	R	98.9	Very high	98.3	Very high	15 Å²	15	24.8 Å²	24.8	6%	0.057	13%	0.132	C	C	.	.	H	α-helix	trans	-60.9	-40.2	167.2	-60.9	-175.1	79.1	148.8	2.8	111.4	H584 E647 D651 H712 S713 P714 G715 S722	H584-R718 PolarHBondContact CE1-NH2 3.2Å; E647-R718 IonicContact OE2-NH2 3.24Å; D651-R718 VanDerWaalsContact CG-NE 3.3Å; D651-R718 VanDerWaalsContact CG-NH2 3.32Å; D651-R718 IonicContact OD1-CZ 3.52Å; D651-R718 VanDerWaalsContact OD1-CZ 3.27Å; D651-R718 IonicContact OD1-NE 3.82Å; D651-R718 PolarHBondContact OD1-NE 3.15Å; D651-R718 VanDerWaalsContact OD1-NE 3.1Å; D651-R718 IonicContact OD1-NH2 2.73Å; D651-R718 PolarHBondContact OD1-NH2 3.41Å; D651-R718 WeakPolarHBondContact OD2-CB 3.37Å; D651-R718 WeakPolarHBondContact OD2-CG 3.46Å; D651-R718 IonicContact OD2-CZ 3.09Å; D651-R718 IonicContact OD2-NE 2.95Å; D651-R718 PolarHBondContact OD2-NE 3.03Å; D651-R718 IonicContact OD2-NH2 2.67Å; D651-R718 PolarHBondContact OD2-NH2 2.94Å; H712-R718 PolarHBondContact CD2-NH1 3.21Å; S713-R718 VanDerWaalsContact O-CD 3.28Å; S713-R718 WeakPolarHBondContact O-CD 3.4Å; S713-R718 VanDerWaalsContact O-CG 3.25Å; S713-R718 WeakPolarHBondContact O-CG 3.42Å; P714-R718 PolarHBondContact O-N 3.34Å; P714-R718 VanDerWaalsContact O-N 3.08Å; G715-R718 PolarHBondContact O-N 2.78Å; R718-S722 WeakPolarHBondContact O-CB 3.11Å; R718-S722 PolarHBondContact O-N 3.08Å; R718-S722 PolarHBondContact O-OG 3.04Å
719	V	98.9	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-69.2	-54.1	174.6	175.5	0	0	0	0	111.2	F83 Y84 F690 A691 W694 G715 K716 F717 L723	F83-V719 HydrophobicContact CD1-CG1 4.13Å; Y84-V719 HydrophobicContact CD2-CB 4.04Å; Y84-V719 HydrophobicContact CD2-CG1 4.38Å; Y84-V719 HydrophobicContact CD2-CG2 3.97Å; Y84-V719 HydrophobicContact CE2-CG2 4.44Å; F690-V719 HydrophobicContact CE1-CB 4.49Å; F690-V719 HydrophobicContact CE1-CG1 4.46Å; F690-V719 HydrophobicContact CE1-CG2 4.36Å; A691-V719 HydrophobicContact CB-CG1 3.69Å; A691-V719 HydrophobicContact CB-CG2 4.1Å; W694-V719 HydrophobicContact CB-CG2 3.7Å; W694-V719 HydrophobicContact CG-CG2 3.94Å; G715-V719 WeakPolarHBondContact O-CG2 3.28Å; G715-V719 PolarHBondContact O-N 3.19Å; G715-V719 VanDerWaalsContact O-N 3.12Å; K716-V719 PolarHBondContact O-N 3.33Å; F717-V719 VanDerWaalsContact C-N 3.29Å; F717-V719 PolarHBondContact O-N 2.82Å; V719-L723 HydrophobicContact CG1-CD1 3.83Å; V719-L723 WeakPolarHBondContact O-CB 3.29Å; V719-L723 VanDerWaalsContact O-CG 3.23Å; V719-L723 WeakPolarHBondContact O-CG 3.41Å; V719-L723 PolarHBondContact O-N 3.19Å; V719-L723 VanDerWaalsContact O-N 3.13Å
720	I	98.9	Very high	98.5	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.015	11%	0.105	C	C	.	.	H	α-helix	trans	-64.3	-51.2	-174.4	-69.3	170.7	0	0	0	111.3	F629 K716 S722 L723 Q724 Y740 M741	F629-I720 HydrophobicContact CE1-CG2 4.15Å; F629-I720 HydrophobicContact CZ-CG2 4.07Å; K716-I720 HydrophobicContact CD-CD1 4.41Å; K716-I720 HydrophobicContact CG-CD1 3.77Å; K716-I720 WeakPolarHBondContact O-CG1 3.47Å; K716-I720 PolarHBondContact O-N 2.92Å; I720-S722 PolarHBondContact O-N 3.37Å; I720-L723 PolarHBondContact O-N 3.45Å; I720-Q724 HydrophobicContact CG2-CG 4.27Å; I720-Q724 VanDerWaalsContact O-CB 3.29Å; I720-Q724 WeakPolarHBondContact O-CB 3.34Å; I720-Q724 VanDerWaalsContact O-CG 3.24Å; I720-Q724 WeakPolarHBondContact O-CG 3.29Å; I720-Q724 PolarHBondContact O-N 3.04Å; I720-Y740 HydrophobicContact CD1-CE1 4.5Å; I720-Y740 HydrophobicContact CG2-CE1 3.63Å; I720-M741 HydrophobicContact CG1-SD 4.35Å; I720-M741 HydrophobicContact CG2-SD 4.24Å
721	G	98.8	Very high	98.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.1	-45.5	-175.7	0	0	0	0	0	112.7	Q625 F717 N725	Q625-G721 PolarHBondContact NE2-O 3.5Å; Q625-G721 VanDerWaalsContact NE2-O 3.16Å; F717-G721 WeakPolarHBondContact O-CA 3.37Å; F717-G721 PolarHBondContact O-N 3.34Å; G721-N725 PolarHBondContact O-N 3.36Å; G721-N725 PolarHBondContact O-ND2 3.45Å; G721-N725 VanDerWaalsContact O-ND2 3.16Å
722	S	98.9	Very high	98.6	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.007	11%	0.107	C	C	.	.	H	α-helix	trans	-66.8	-41.8	179.4	-59.1	0	0	0	0	113	Y626 D651 N652 R718 I720 N725 S726	Y626-S722 PolarHBondContact OH-N 2.68Å; Y626-S722 PolarHBondContact OH-OG 3.22Å; D651-S722 WeakPolarHBondContact CB-OG 3.31Å; N652-S722 PolarHBondContact ND2-OG 3.1Å; R718-S722 WeakPolarHBondContact O-CB 3.11Å; R718-S722 PolarHBondContact O-N 3.08Å; R718-S722 PolarHBondContact O-OG 3.04Å; I720-S722 PolarHBondContact O-N 3.37Å; S722-N725 PolarHBondContact O-N 3.12Å; S722-S726 PolarHBondContact O-N 2.87Å
723	L	98.8	Very high	98.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-76.6	-30.8	-179.1	-62.2	-179.2	0	0	0	112.8	F83 F687 F690 V719 I720 N725 S726 F729 M741	F83-L723 HydrophobicContact CB-CD1 4.33Å; F83-L723 HydrophobicContact CD1-CD1 3.2Å; F83-L723 HydrophobicContact CE1-CD1 3.68Å; F83-L723 HydrophobicContact CG-CD1 3.94Å; F687-L723 HydrophobicContact CD1-CD2 3.51Å; F687-L723 HydrophobicContact CE1-CD2 4.05Å; F687-L723 HydrophobicContact CG-CD2 4.39Å; F690-L723 HydrophobicContact CD1-CD1 4.16Å; F690-L723 HydrophobicContact CD1-CD2 3.86Å; F690-L723 HydrophobicContact CD1-CG 4.16Å; F690-L723 HydrophobicContact CE1-CD1 4.06Å; F690-L723 HydrophobicContact CE1-CD2 3.77Å; F690-L723 HydrophobicContact CE1-CG 3.74Å; V719-L723 HydrophobicContact CG1-CD1 3.83Å; V719-L723 WeakPolarHBondContact O-CB 3.29Å; V719-L723 VanDerWaalsContact O-CG 3.23Å; V719-L723 WeakPolarHBondContact O-CG 3.41Å; V719-L723 PolarHBondContact O-N 3.19Å; V719-L723 VanDerWaalsContact O-N 3.13Å; I720-L723 PolarHBondContact O-N 3.45Å; L723-N725 PolarHBondContact O-N 3.21Å; L723-S726 PolarHBondContact O-N 2.94Å; L723-S726 VanDerWaalsContact O-N 3.09Å; L723-F729 HydrophobicContact CB-CD1 4.02Å; L723-F729 HydrophobicContact CB-CD2 4.25Å; L723-F729 HydrophobicContact CB-CE1 4.36Å; L723-F729 HydrophobicContact CB-CG 3.97Å; L723-F729 HydrophobicContact CD1-CD2 3.97Å; L723-F729 HydrophobicContact CD1-CE2 3.91Å; L723-F729 HydrophobicContact CD1-CZ 4.43Å; L723-F729 HydrophobicContact CD2-CB 4.2Å; L723-F729 HydrophobicContact CD2-CD2 4Å; L723-F729 HydrophobicContact CD2-CG 4.13Å; L723-F729 HydrophobicContact CG-CD2 4.29Å; L723-F729 HydrophobicContact CG-CG 4.42Å; L723-M741 HydrophobicContact CB-CE 3.69Å
724	Q	98.8	Very high	98.5	Very high	12 Å²	12	23.6 Å²	23.6	6%	0.056	13%	0.131	C	C	.	.	H	α-helix	trans	-55.7	-33.3	168.8	-83.7	-179	-21	0	0	112.1	I720 Y740 M741 P743 K746	I720-Q724 HydrophobicContact CG2-CG 4.27Å; I720-Q724 VanDerWaalsContact O-CB 3.29Å; I720-Q724 WeakPolarHBondContact O-CB 3.34Å; I720-Q724 VanDerWaalsContact O-CG 3.24Å; I720-Q724 WeakPolarHBondContact O-CG 3.29Å; I720-Q724 PolarHBondContact O-N 3.04Å; Q724-Y740 PolarHBondContact NE2-O 2.76Å; Q724-M741 HydrophobicContact CG-CE 4.41Å; Q724-P743 HydrophobicContact CB-CG 3.82Å; Q724-P743 HydrophobicContact CG-CG 4.06Å; Q724-K746 WeakPolarHBondContact O-CG 3.43Å; Q724-K746 PolarHBondContact O-NZ 3.3Å
725	N	98.8	Very high	98.5	Very high	2 Å²	2	24 Å²	24	1%	0.011	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	0.4	-179.8	-67.7	-28.3	0	0	0	114.6	Q625 N652 R656 G721 S722 L723 P727 C747	Q625-N725 PolarHBondContact NE2-ND2 3.29Å; Q625-N725 PolarHBondContact NE2-OD1 3.39Å; Q625-N725 PolarHBondContact OE1-ND2 3.12Å; Q625-N725 PolarHBondContact OE1-OD1 3.34Å; N652-N725 VanDerWaalsContact OD1-CB 3.22Å; N652-N725 WeakPolarHBondContact OD1-CB 3.47Å; N652-N725 PolarHBondContact OD1-ND2 3.44Å; R656-N725 PolarHBondContact NH2-O 3.07Å; R656-N725 VanDerWaalsContact NH2-O 3.07Å; G721-N725 PolarHBondContact O-N 3.36Å; G721-N725 PolarHBondContact O-ND2 3.45Å; G721-N725 VanDerWaalsContact O-ND2 3.16Å; S722-N725 PolarHBondContact O-N 3.12Å; L723-N725 PolarHBondContact O-N 3.21Å; N725-P727 WeakPolarHBondContact O-CD 3.43Å; N725-C747 WeakPolarHBondContact CB-O 3.12Å; N725-C747 PolarHBondContact OD1-N 3.02Å
726	S	98.4	Very high	98.1	Very high	6 Å²	6	27.2 Å²	27.2	4%	0.042	15%	0.152	C	C	.	.			trans	-103.6	108.5	178.6	176	0	0	0	0	111.2	S722 L723 E728 F729 S730	S722-S726 PolarHBondContact O-N 2.87Å; L723-S726 PolarHBondContact O-N 2.94Å; L723-S726 VanDerWaalsContact O-N 3.09Å; S726-E728 PolarHBondContact O-N 3.48Å; S726-E728 PolarHBondContact OG-N 2.6Å; S726-E728 PolarHBondContact OG-OE2 3.41Å; S726-F729 PolarHBondContact O-N 3.43Å; S726-F729 PolarHBondContact OG-N 3.37Å; S726-S730 PolarHBondContact O-N 2.86Å
727	P	97.8	Very high	97.4	Very high	62 Å²	62	32.6 Å²	32.6	40%	0.403	18%	0.175	S	C	.	.	H	α-helix	trans	-58.2	-33.5	167.5	-24	33.9	0	0	0	112.8	N725 F729 S730 E731 K746	N725-P727 WeakPolarHBondContact O-CD 3.43Å; P727-F729 VanDerWaalsContact C-N 3.34Å; P727-F729 PolarHBondContact O-N 3.41Å; P727-S730 PolarHBondContact O-N 3.23Å; P727-E731 PolarHBondContact O-N 3.35Å; P727-K746 HydrophobicContact CG-CD 3.97Å
728	E	98.4	Very high	96.7	Very high	40 Å²	40	38.4 Å²	38.4	19%	0.187	21%	0.212	C	C	.	.	H	α-helix	trans	-68.1	-35	-177.5	-53.6	78.1	-168.5	0	0	111.6	R656 Y659 F687 S726 A732	R656-E728 IonicContact NH1-OE1 2.7Å; R656-E728 PolarHBondContact NH1-OE1 3.05Å; R656-E728 IonicContact NH1-OE2 2.76Å; Y659-E728 HydrophobicContact CD1-CB 3.86Å; Y659-E728 HydrophobicContact CD1-CG 3.87Å; Y659-E728 HydrophobicContact CE1-CB 3.49Å; Y659-E728 VanDerWaalsContact CE1-CB 3.49Å; Y659-E728 HydrophobicContact CE1-CG 3.65Å; F687-E728 HydrophobicContact CZ-CB 4.08Å; S726-E728 PolarHBondContact O-N 3.48Å; S726-E728 PolarHBondContact OG-N 2.6Å; S726-E728 PolarHBondContact OG-OE2 3.41Å; E728-A732 WeakPolarHBondContact O-CB 3.46Å; E728-A732 PolarHBondContact O-N 2.99Å
729	F	98.8	Very high	96.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-51.2	169.3	167.7	-96.8	0	0	0	111.4	F83 F687 L723 S726 P727 E731 A732 F733 M741	F83-F729 HydrophobicContact CB-CE2 4.49Å; F83-F729 HydrophobicContact CB-CZ 4.04Å; F83-F729 AromaticContact CD1-CE2 3.97Å; F83-F729 HydrophobicContact CD1-CE2 3.97Å; F83-F729 HydrophobicContact CD1-CZ 4.37Å; F83-F729 AromaticContact CD2-CE2 3.47Å; F83-F729 HydrophobicContact CD2-CE2 3.47Å; F83-F729 VanDerWaalsContact CD2-CE2 3.47Å; F83-F729 AromaticContact CD2-CZ 3.46Å; F83-F729 HydrophobicContact CD2-CZ 3.46Å; F83-F729 VanDerWaalsContact CD2-CZ 3.46Å; F83-F729 AromaticContact CE1-CE2 3.97Å; F83-F729 HydrophobicContact CE1-CE2 3.97Å; F83-F729 AromaticContact CE2-CE2 3.51Å; F83-F729 HydrophobicContact CE2-CE2 3.51Å; F83-F729 AromaticContact CE2-CZ 3.96Å; F83-F729 HydrophobicContact CE2-CZ 3.96Å; F83-F729 AromaticContact CG-CE2 3.7Å; F83-F729 HydrophobicContact CG-CE2 3.7Å; F83-F729 AromaticContact CG-CZ 3.69Å; F83-F729 HydrophobicContact CG-CZ 3.69Å; F83-F729 AromaticContact CZ-CE2 3.75Å; F83-F729 HydrophobicContact CZ-CE2 3.75Å; F687-F729 HydrophobicContact CB-CD2 3.97Å; F687-F729 HydrophobicContact CB-CE2 4.48Å; F687-F729 HydrophobicContact CD1-CB 4.13Å; F687-F729 HydrophobicContact CD1-CD2 4.13Å; F687-F729 HydrophobicContact CD2-CB 4.37Å; F687-F729 HydrophobicContact CD2-CD2 4.13Å; F687-F729 HydrophobicContact CE1-CB 3.89Å; F687-F729 HydrophobicContact CE2-CB 4.15Å; F687-F729 HydrophobicContact CG-CB 4.37Å; F687-F729 AromaticContact CG-CD2 3.82Å; F687-F729 HydrophobicContact CG-CD2 3.82Å; F687-F729 HydrophobicContact CZ-CB 3.91Å; L723-F729 HydrophobicContact CB-CD1 4.02Å; L723-F729 HydrophobicContact CB-CD2 4.25Å; L723-F729 HydrophobicContact CB-CE1 4.36Å; L723-F729 HydrophobicContact CB-CG 3.97Å; L723-F729 HydrophobicContact CD1-CD2 3.97Å; L723-F729 HydrophobicContact CD1-CE2 3.91Å; L723-F729 HydrophobicContact CD1-CZ 4.43Å; L723-F729 HydrophobicContact CD2-CB 4.2Å; L723-F729 HydrophobicContact CD2-CD2 4Å; L723-F729 HydrophobicContact CD2-CG 4.13Å; L723-F729 HydrophobicContact CG-CD2 4.29Å; L723-F729 HydrophobicContact CG-CG 4.42Å; S726-F729 PolarHBondContact O-N 3.43Å; S726-F729 PolarHBondContact OG-N 3.37Å; P727-F729 VanDerWaalsContact C-N 3.34Å; P727-F729 PolarHBondContact O-N 3.41Å; F729-E731 PolarHBondContact O-N 3.33Å; F729-A732 PolarHBondContact O-N 3.19Å; F729-A732 VanDerWaalsContact O-N 3.16Å; F729-F733 AromaticContact CD2-CD2 3.72Å; F729-F733 HydrophobicContact CD2-CD2 3.72Å; F729-F733 HydrophobicContact CD2-CE2 4.04Å; F729-F733 AromaticContact CE2-CD2 3.44Å; F729-F733 HydrophobicContact CE2-CD2 3.44Å; F729-F733 VanDerWaalsContact CE2-CD2 3.44Å; F729-F733 AromaticContact CE2-CE2 3.76Å; F729-F733 HydrophobicContact CE2-CE2 3.76Å; F729-F733 HydrophobicContact CE2-CG 4.14Å; F729-F733 HydrophobicContact CZ-CD2 4.13Å; F729-F733 HydrophobicContact CZ-CG 4.43Å; F729-F733 PolarHBondContact O-N 2.79Å; F729-M741 HydrophobicContact CE1-CB 3.83Å; F729-M741 HydrophobicContact CE1-CE 4.19Å; F729-M741 HydrophobicContact CZ-CE 4.42Å
730	S	98.4	Very high	96.4	Very high	8 Å²	8	44.3 Å²	44.3	6%	0.056	24%	0.237	C	C	.	.	H	α-helix	trans	-58.3	-38.7	178.8	-62.4	0	0	0	0	111.6	S726 P727 S734 C735 D742	S726-S730 PolarHBondContact O-N 2.86Å; P727-S730 PolarHBondContact O-N 3.23Å; S730-S734 CarbonylContact O-C 2.93Å; S730-S734 WeakPolarHBondContact O-CA 3.41Å; S730-S734 PolarHBondContact O-N 3.05Å; S730-C735 PolarHBondContact O-N 3.12Å; S730-D742 WeakPolarHBondContact CB-OD1 3.41Å; S730-D742 WeakPolarHBondContact OG-CB 3.37Å; S730-D742 PolarHBondContact OG-OD1 3.08Å
731	E	98.3	Very high	96.4	Very high	131 Å²	131	44.1 Å²	44.1	61%	0.612	24%	0.236	S	C	*	.	H	α-helix	trans	-63.9	-51.3	174	-173.8	-170	158.1	0	0	111.5	P727 F729 F733 S734	P727-E731 PolarHBondContact O-N 3.35Å; F729-E731 PolarHBondContact O-N 3.33Å; E731-F733 PolarHBondContact O-N 3.39Å; E731-S734 PolarHBondContact O-N 2.68Å; E731-S734 VanDerWaalsContact O-N 3.11Å
732	A	98.4	Very high	96.3	Very high	10 Å²	10	44.9 Å²	44.9	8%	0.083	24%	0.24	C	C	.	.	H	α-helix	trans	-60.7	-31.4	-176.8	0	0	0	0	0	113.4	K683 Q684 F687 E728 F729	K683-A732 HydrophobicContact CB-CB 4.25Å; Q684-A732 HydrophobicContact CG-CB 4.29Å; Q684-A732 VanDerWaalsContact CG-O 3.23Å; Q684-A732 WeakPolarHBondContact CG-O 3.49Å; Q684-A732 PolarHBondContact NE2-O 2.79Å; F687-A732 HydrophobicContact CD2-CB 4.09Å; F687-A732 HydrophobicContact CE2-CB 3.97Å; E728-A732 WeakPolarHBondContact O-CB 3.46Å; E728-A732 PolarHBondContact O-N 2.99Å; F729-A732 PolarHBondContact O-N 3.19Å; F729-A732 VanDerWaalsContact O-N 3.16Å
733	F	98.3	Very high	96.2	Very high	19 Å²	19	46.6 Å²	46.6	8%	0.083	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	5.4	178.1	-73.9	-88.3	0	0	0	114.1	P79 F83 Y86 M680 Q684 F687 F729 E731 C735	P79-F733 HydrophobicContact CB-CD1 3.74Å; P79-F733 HydrophobicContact CB-CE1 4.19Å; P79-F733 HydrophobicContact CB-CG 4.4Å; P79-F733 HydrophobicContact CG-CD1 3.87Å; F83-F733 HydrophobicContact CE2-CD1 4.14Å; F83-F733 HydrophobicContact CE2-CD2 4.21Å; F83-F733 AromaticContact CE2-CE1 3.68Å; F83-F733 HydrophobicContact CE2-CE1 3.68Å; F83-F733 AromaticContact CE2-CE2 3.76Å; F83-F733 HydrophobicContact CE2-CE2 3.76Å; F83-F733 HydrophobicContact CE2-CG 4.39Å; F83-F733 AromaticContact CE2-CZ 3.47Å; F83-F733 HydrophobicContact CE2-CZ 3.47Å; F83-F733 VanDerWaalsContact CE2-CZ 3.47Å; F83-F733 HydrophobicContact CZ-CE1 4.26Å; F83-F733 AromaticContact CZ-CE2 3.82Å; F83-F733 HydrophobicContact CZ-CE2 3.82Å; F83-F733 AromaticContact CZ-CZ 3.6Å; F83-F733 HydrophobicContact CZ-CZ 3.6Å; Y86-F733 HydrophobicContact CE1-CE1 4.12Å; M680-F733 HydrophobicContact CE-CE1 3.61Å; M680-F733 HydrophobicContact CE-CZ 3.86Å; Q684-F733 HydrophobicContact CB-CE1 4.2Å; Q684-F733 HydrophobicContact CB-CE2 4.03Å; Q684-F733 HydrophobicContact CB-CZ 3.65Å; Q684-F733 HydrophobicContact CG-CD2 4.45Å; Q684-F733 HydrophobicContact CG-CE1 4.18Å; Q684-F733 HydrophobicContact CG-CE2 4.08Å; Q684-F733 HydrophobicContact CG-CZ 3.94Å; F687-F733 HydrophobicContact CB-CE2 4.03Å; F687-F733 HydrophobicContact CD2-CE2 4.3Å; F729-F733 AromaticContact CD2-CD2 3.72Å; F729-F733 HydrophobicContact CD2-CD2 3.72Å; F729-F733 HydrophobicContact CD2-CE2 4.04Å; F729-F733 AromaticContact CE2-CD2 3.44Å; F729-F733 HydrophobicContact CE2-CD2 3.44Å; F729-F733 VanDerWaalsContact CE2-CD2 3.44Å; F729-F733 AromaticContact CE2-CE2 3.76Å; F729-F733 HydrophobicContact CE2-CE2 3.76Å; F729-F733 HydrophobicContact CE2-CG 4.14Å; F729-F733 HydrophobicContact CZ-CD2 4.13Å; F729-F733 HydrophobicContact CZ-CG 4.43Å; F729-F733 PolarHBondContact O-N 2.79Å; E731-F733 PolarHBondContact O-N 3.39Å; F733-C735 VanDerWaalsContact C-N 3.26Å; F733-C735 PolarHBondContact O-N 2.63Å
734	S	97.6	Very high	95.9	Very high	102 Å²	102	50.8 Å²	50.8	71%	0.713	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	41.2	-179.7	-57.7	0	0	0	0	113.5	S730 E731	S730-S734 CarbonylContact O-C 2.93Å; S730-S734 WeakPolarHBondContact O-CA 3.41Å; S730-S734 PolarHBondContact O-N 3.05Å; E731-S734 PolarHBondContact O-N 2.68Å; E731-S734 VanDerWaalsContact O-N 3.11Å
735	C	97.4	Very high	95.7	Very high	17 Å²	17	56.8 Å²	56.8	12%	0.115	32%	0.318	C	S	.	.			trans	-71.5	149.2	176	-57.8	0	0	0	0	111.2	C80 S730 F733 D742	C80-C735 VanDerWaalsContact CA-SG 3.59Å; C80-C735 HydrophobicContact CB-CB 3.78Å; C80-C735 WeakPolarHBondContact CB-SG 3.19Å; C80-C735 WeakPolarHBondContact SG-CA 3.42Å; C80-C735 WeakPolarHBondContact SG-CB 3.26Å; C80-C735 CovalentContact SG-SG 2.04Å; C80-C735 PolarHBondContact SG-SG 3.29Å; S730-C735 PolarHBondContact O-N 3.12Å; F733-C735 VanDerWaalsContact C-N 3.26Å; F733-C735 PolarHBondContact O-N 2.63Å; C735-D742 HydrophobicContact CB-CB 3.97Å
736	T	91.1	Very high	95.7	Very high	74 Å²	74	59.7 Å²	59.7	45%	0.454	33%	0.331	S	S	.	.			trans	-105.8	155.9	175.9	75	0	0	0	0	110.6	T738 N739	T736-T738 PolarHBondContact O-N 3.26Å; T736-T738 PolarHBondContact OG1-OG1 3.29Å; T736-T738 VanDerWaalsContact OG1-OG1 3.07Å; T736-N739 WeakPolarHBondContact CA-OD1 3.45Å; T736-N739 WeakPolarHBondContact CB-OD1 3.38Å; T736-N739 PolarHBondContact N-OD1 3.47Å; T736-N739 WeakPolarHBondContact O-CB 3.48Å; T736-N739 PolarHBondContact O-N 2.94Å; T736-N739 PolarHBondContact O-OD1 3.11Å; T736-N739 VanDerWaalsContact O-OD1 3.07Å; T736-N739 PolarHBondContact OG1-OD1 3.46Å
737	K	83	Confident	95.7	Very high	173 Å²	173	59.8 Å²	59.8	75%	0.752	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-7.4	-179.3	-62.6	-172.7	176.6	-174.2	0	116.2	D742	K737-D742 WeakPolarHBondContact CA-OD2 3.48Å; K737-D742 PolarHBondContact N-OD2 2.91Å
738	T	84	Confident	95.7	Very high	132 Å²	132	60.5 Å²	60.5	81%	0.81	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-11.2	175	63.8	0	0	0	0	112.8	T736	T736-T738 PolarHBondContact O-N 3.26Å; T736-T738 PolarHBondContact OG1-OG1 3.29Å; T736-T738 VanDerWaalsContact OG1-OG1 3.07Å
739	N	93.9	Very high	95.7	Very high	25 Å²	25	58.7 Å²	58.7	13%	0.134	32%	0.317	C	S	.	.	S	Bend	trans	-78	146.7	179.5	-68.4	112.2	0	0	0	111.3	C80 T736 M741 D742	C80-N739 HydrophobicContact CB-CB 3.89Å; C80-N739 WeakPolarHBondContact O-CB 3.29Å; T736-N739 WeakPolarHBondContact CA-OD1 3.45Å; T736-N739 WeakPolarHBondContact CB-OD1 3.38Å; T736-N739 PolarHBondContact N-OD1 3.47Å; T736-N739 WeakPolarHBondContact O-CB 3.48Å; T736-N739 PolarHBondContact O-N 2.94Å; T736-N739 PolarHBondContact O-OD1 3.11Å; T736-N739 VanDerWaalsContact O-OD1 3.07Å; T736-N739 PolarHBondContact OG1-OD1 3.46Å; N739-M741 PolarHBondContact O-N 3.02Å; N739-D742 CarbonylContact O-C 3.49Å; N739-D742 PolarHBondContact O-N 3.14Å
740	Y	97.4	Very high	95.7	Very high	113 Å²	113	59 Å²	59	44%	0.443	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-34.3	179	176.9	-103.6	0	0	0	113	C80 K81 I720 Q724 D742	C80-Y740 PolarHBondContact O-N 3.27Å; K81-Y740 VanDerWaalsContact O-CD1 3.25Å; K81-Y740 WeakPolarHBondContact O-CD1 3.29Å; I720-Y740 HydrophobicContact CD1-CE1 4.5Å; I720-Y740 HydrophobicContact CG2-CE1 3.63Å; Q724-Y740 PolarHBondContact NE2-O 2.76Å; Y740-D742 VanDerWaalsContact C-N 3.3Å; Y740-D742 PolarHBondContact O-N 3.39Å
741	M	98.4	Very high	95.5	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-2.9	178.5	-61.6	-61.2	-54.4	0	0	114	C80 F83 I720 L723 Q724 F729 N739 P743	C80-M741 WeakPolarHBondContact O-CB 3.21Å; C80-M741 WeakPolarHBondContact O-CG 3.17Å; C80-M741 PolarHBondContact O-N 3.29Å; C80-M741 VanDerWaalsContact O-N 3.09Å; F83-M741 HydrophobicContact CB-CE 3.74Å; F83-M741 HydrophobicContact CB-CG 4.34Å; F83-M741 HydrophobicContact CB-SD 4.16Å; I720-M741 HydrophobicContact CG1-SD 4.35Å; I720-M741 HydrophobicContact CG2-SD 4.24Å; L723-M741 HydrophobicContact CB-CE 3.69Å; Q724-M741 HydrophobicContact CG-CE 4.41Å; F729-M741 HydrophobicContact CE1-CB 3.83Å; F729-M741 HydrophobicContact CE1-CE 4.19Å; F729-M741 HydrophobicContact CZ-CE 4.42Å; N739-M741 PolarHBondContact O-N 3.02Å; M741-P743 VanDerWaalsContact C-CD 3.44Å
742	D	97.6	Very high	95.4	Very high	16 Å²	16	57.9 Å²	57.9	9%	0.086	32%	0.317	C	S	.	.	S	Bend	trans	-127.4	63.5	176.5	-170	42.1	0	0	0	111.9	S730 C735 K737 N739 Y740 K746	S730-D742 WeakPolarHBondContact CB-OD1 3.41Å; S730-D742 WeakPolarHBondContact OG-CB 3.37Å; S730-D742 PolarHBondContact OG-OD1 3.08Å; C735-D742 HydrophobicContact CB-CB 3.97Å; K737-D742 WeakPolarHBondContact CA-OD2 3.48Å; K737-D742 PolarHBondContact N-OD2 2.91Å; N739-D742 CarbonylContact O-C 3.49Å; N739-D742 PolarHBondContact O-N 3.14Å; Y740-D742 VanDerWaalsContact C-N 3.3Å; Y740-D742 PolarHBondContact O-N 3.39Å; D742-K746 WeakPolarHBondContact OD1-CE 3.49Å; D742-K746 IonicContact OD1-NZ 2.66Å; D742-K746 PolarHBondContact OD1-NZ 2.96Å
743	P	96.1	Very high	95.2	Very high	37 Å²	37	60.6 Å²	60.6	24%	0.24	33%	0.33	C	S	.	.			trans	-64.6	148.9	178.9	28.9	-35.4	0	0	0	111.1	Q724 M741 N745	Q724-P743 HydrophobicContact CB-CG 3.82Å; Q724-P743 HydrophobicContact CG-CG 4.06Å; M741-P743 VanDerWaalsContact C-CD 3.44Å; P743-N745 VanDerWaalsContact C-N 3.28Å; P743-N745 PolarHBondContact O-N 3.48Å
744	A	93.8	Very high	95	Very high	87 Å²	87	63 Å²	63	72%	0.719	35%	0.345	S	S	*	.	S	Bend	trans	-62.5	-36.2	178.2	0	0	0	0	0	112.7
745	N	94.8	Very high	94.9	Very high	139 Å²	139	60.6 Å²	60.6	74%	0.743	32%	0.322	S	S	*	.	S	Bend	trans	-95.5	120.8	175.3	-63.8	-23.7	0	0	0	108.8	P743	P743-N745 VanDerWaalsContact C-N 3.28Å; P743-N745 PolarHBondContact O-N 3.48Å
746	K	97.7	Very high	94.7	Very high	63 Å²	63	63.5 Å²	63.5	27%	0.274	34%	0.335	S	S	.	.			trans	-119.2	125.5	177.2	-62.6	-176.2	-177.4	-82.9	0	108.8	Q724 P727 D742	Q724-K746 WeakPolarHBondContact O-CG 3.43Å; Q724-K746 PolarHBondContact O-NZ 3.3Å; P727-K746 HydrophobicContact CG-CD 3.97Å; D742-K746 WeakPolarHBondContact OD1-CE 3.49Å; D742-K746 IonicContact OD1-NZ 2.66Å; D742-K746 PolarHBondContact OD1-NZ 2.96Å
747	C	98.5	Very high	95	Very high	7 Å²	7	62.7 Å²	62.7	5%	0.047	33%	0.327	C	S	.	.			trans	-79.8	138.6	178.4	-54.8	0	0	0	0	110.6	C621 M622 N725	C621-C747 HydrophobicContact CB-CB 3.69Å; C621-C747 WeakPolarHBondContact CB-SG 3.3Å; C621-C747 PolarHBondContact O-SG 3.05Å; C621-C747 VanDerWaalsContact O-SG 3.34Å; C621-C747 WeakPolarHBondContact SG-CA 3.31Å; C621-C747 WeakPolarHBondContact SG-CB 3.35Å; C621-C747 CovalentContact SG-SG 2.04Å; C621-C747 PolarHBondContact SG-SG 3.21Å; M622-C747 HydrophobicContact CE-CB 4.03Å; M622-C747 HydrophobicContact CG-CB 3.56Å; N725-C747 WeakPolarHBondContact CB-O 3.12Å; N725-C747 PolarHBondContact OD1-N 3.02Å
748	R	98.1	Very high	95.9	Very high	77 Å²	77	54.2 Å²	54.2	29%	0.291	29%	0.294	S	S	.	.			trans	-148.1	123.4	174.9	-177	177.6	178.3	-171	-4.2	110.8	E457 Q618	E457-R748 IonicContact OE2-NH2 2.71Å; E457-R748 PolarHBondContact OE2-NH2 2.8Å; Q618-R748 PolarHBondContact OE1-O 3.44Å
749	V	98.6	Very high	96.9	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	25%	0.251	C	S	.	.			trans	-102.6	-72.3	166.9	-174.7	0	0	0	0	108.3	W460 F615 Q618 M622 I649	W460-V749 HydrophobicContact CH2-CG1 4.16Å; W460-V749 HydrophobicContact CZ2-CG1 3.92Å; W460-V749 VanDerWaalsContact CZ2-O 3.27Å; W460-V749 WeakPolarHBondContact CZ2-O 3.37Å; W460-V749 PolarHBondContact NE1-O 3.35Å; F615-V749 HydrophobicContact CD2-CG1 3.89Å; F615-V749 HydrophobicContact CE2-CG1 3.64Å; F615-V749 HydrophobicContact CZ-CG1 4.49Å; Q618-V749 HydrophobicContact CB-CG2 4.04Å; M622-V749 HydrophobicContact CE-CG2 4.26Å; M622-V749 HydrophobicContact SD-CG2 4.45Å; I649-V749 HydrophobicContact CD1-CG2 4.5Å; I649-V749 HydrophobicContact CG1-CG2 4.25Å; I649-V749 HydrophobicContact CG2-CB 4.46Å
750	W	97.8	Very high	97.1	Very high	7 Å²	7	49.8 Å²	49.8	3%	0.027	26%	0.262	C	S	.	.			trans	-93.3	0	-178.3	-57	110.6	0	0	0	113.8	F451 T454 L455 L458 W460 M461 T587 F590 W607 F615 R656	F451-W750 HydrophobicContact CE2-CD2 4.26Å; F451-W750 HydrophobicContact CE2-CE3 4.06Å; F451-W750 HydrophobicContact CE2-CG 4.43Å; F451-W750 HydrophobicContact CZ-CD2 4.46Å; F451-W750 AromaticContact CZ-CE3 3.99Å; F451-W750 HydrophobicContact CZ-CE3 3.99Å; F451-W750 HydrophobicContact CZ-CZ3 4.25Å; T454-W750 VanDerWaalsContact CG2-OXT 3.25Å; T454-W750 WeakPolarHBondContact CG2-OXT 3.42Å; L455-W750 HydrophobicContact CD2-CE3 4.34Å; L455-W750 HydrophobicContact CD2-CZ3 3.89Å; L458-W750 HydrophobicContact CD1-CE3 3.7Å; L458-W750 HydrophobicContact CD1-CZ3 3.83Å; W460-W750 AromaticContact CH2-CH2 3.84Å; W460-W750 HydrophobicContact CH2-CH2 3.84Å; W460-W750 HydrophobicContact CH2-CZ2 4.03Å; W460-W750 HydrophobicContact CH2-CZ3 4.18Å; W460-W750 HydrophobicContact CZ2-CE3 4.32Å; W460-W750 HydrophobicContact CZ2-CH2 4.26Å; W460-W750 HydrophobicContact CZ2-CZ2 4.48Å; W460-W750 HydrophobicContact CZ2-CZ3 4.18Å; M461-W750 HydrophobicContact CE-CH2 4.04Å; M461-W750 HydrophobicContact CE-CZ3 4.16Å; M461-W750 HydrophobicContact SD-CH2 3.84Å; M461-W750 HydrophobicContact SD-CZ3 3.61Å; T587-W750 HydrophobicContact CG2-CB 4.4Å; T587-W750 VanDerWaalsContact CG2-CD1 3.44Å; T587-W750 HydrophobicContact CG2-CG 4.09Å; F590-W750 HydrophobicContact CB-CD2 4.21Å; F590-W750 VanDerWaalsContact CB-CE2 3.49Å; F590-W750 HydrophobicContact CB-CH2 3.99Å; F590-W750 HydrophobicContact CB-CZ2 3.41Å; F590-W750 VanDerWaalsContact CB-CZ2 3.41Å; F590-W750 HydrophobicContact CD1-CH2 4.34Å; F590-W750 HydrophobicContact CG-CH2 4.48Å; F590-W750 HydrophobicContact CG-CZ2 4.35Å; F590-W750 VanDerWaalsContact O-CE2 3.27Å; F590-W750 WeakPolarHBondContact O-CZ2 3.31Å; F590-W750 PolarHBondContact O-NE1 3.09Å; W607-W750 AromaticContact CH2-CH2 3.65Å; W607-W750 HydrophobicContact CH2-CH2 3.65Å; W607-W750 AromaticContact CH2-CZ2 3.88Å; W607-W750 HydrophobicContact CH2-CZ2 3.88Å; W607-W750 HydrophobicContact CZ2-CH2 4.1Å; W607-W750 HydrophobicContact CZ2-CZ2 4.25Å; F615-W750 HydrophobicContact CD2-CZ2 4.11Å; F615-W750 AromaticContact CE2-CZ2 3.87Å; F615-W750 HydrophobicContact CE2-CZ2 3.87Å; R656-W750 WeakPolarHBondContact CD-O 3.31Å

Retrieved 750 of 750 residues in 1140.6 ms (Link to these results)

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