A0A077ZLG1_TRITR Loading...

FtsL and Transpeptidase and PBP dimer domain cont aining protein

AlphaFold DB , UniProt , Accession A0A077ZLG1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 668 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	34.6	Very low	41.4	Very low	252 Å²	252	145.3 Å²	145.3	100%	1.241	80%	0.804	S	S	*	*				0	117.1	0	-88	171.2	153.2	0	0	107.4
2	G	35.2	Very low	42.3	Very low	83 Å²	83	140.9 Å²	140.9	86%	0.856	78%	0.784	S	S	*	*			trans	-89.9	160	-179.3	0	0	0	0	0	112.8
3	S	37.5	Very low	42.9	Very low	119 Å²	119	139.6 Å²	139.6	83%	0.832	77%	0.773	S	S	*	*			trans	-151.7	130	169.2	58.9	0	0	0	0	110.7
4	H	38.9	Very low	43.5	Very low	196 Å²	196	132.1 Å²	132.1	91%	0.907	74%	0.744	S	S	*	*			trans	-65.8	137	-175.4	-82.4	-92.9	0	0	0	114.9
5	E	39.4	Very low	43.9	Very low	162 Å²	162	130.3 Å²	130.3	76%	0.757	73%	0.731	S	S	*	*			trans	-78.2	133.6	164.4	-71.5	175.9	142.2	0	0	111.3
6	R	43	Very low	44.1	Very low	243 Å²	243	127.8 Å²	127.8	92%	0.917	72%	0.716	S	S	*	*			trans	-121.9	110.9	160	-73.7	-171.2	-170.6	-164.8	3.3	107.8
7	H	41	Very low	44.3	Very low	164 Å²	164	127.8 Å²	127.8	76%	0.759	71%	0.713	S	S	*	*			trans	-73.6	123.7	177.2	-70.7	-77	0	0	0	111.3
8	A	46.8	Very low	44.6	Very low	79 Å²	79	128.4 Å²	128.4	65%	0.653	71%	0.714	S	S	*	*			trans	-91.1	142.5	172.6	0	0	0	0	0	110.6	P10	A8-P10 WeakPolarHBondContact O-CD 3.25Å; A8-P10 VanDerWaalsContact O-N 3.16Å
9	L	47.9	Very low	45	Very low	148 Å²	148	132.2 Å²	132.2	78%	0.775	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-15.7	-169.4	-89.7	92	0	0	0	119.8	G11 V12	L9-G11 PolarHBondContact O-N 2.87Å; L9-G11 VanDerWaalsContact O-N 3.12Å; L9-V12 PolarHBondContact O-N 3.25Å
10	P	47	Very low	45.1	Very low	109 Å²	109	133.5 Å²	133.5	71%	0.708	72%	0.715	S	S	*	*	H	α-helix	trans	-66.8	-13	-180	-20.8	33.1	0	0	0	114.8	A8	A8-P10 WeakPolarHBondContact O-CD 3.25Å; A8-P10 VanDerWaalsContact O-N 3.16Å
11	G	44.5	Very low	45.4	Very low	43 Å²	43	129.6 Å²	129.6	44%	0.443	71%	0.706	S	S	.	*	H	α-helix	trans	-70.4	-27.3	175.5	0	0	0	0	0	114.1	L9 G14 D15	L9-G11 PolarHBondContact O-N 2.87Å; L9-G11 VanDerWaalsContact O-N 3.12Å; G11-G14 PolarHBondContact O-N 2.85Å; G11-D15 PolarHBondContact O-N 3.07Å
12	V	51.3	Low	46.6	Very low	93 Å²	93	126 Å²	126	56%	0.564	68%	0.684	S	S	*	*	H	α-helix	trans	-76	-33.2	-171.9	-175.3	0	0	0	0	112	L9 D16	L9-V12 PolarHBondContact O-N 3.25Å; V12-D16 PolarHBondContact O-N 3Å
13	I	50.7	Low	48	Very low	124 Å²	124	128.2 Å²	128.2	64%	0.636	68%	0.675	S	S	*	*	H	α-helix	trans	-73.1	-32.2	176.7	-58.1	178.4	0	0	0	110.9	L17	I13-L17 HydrophobicContact CG2-CD1 4.18Å; I13-L17 PolarHBondContact O-N 2.68Å
14	G	51.3	Low	49.2	Very low	35 Å²	35	125.7 Å²	125.7	36%	0.361	66%	0.656	S	S	.	*	H	α-helix	trans	-65.5	-42.9	175.5	0	0	0	0	0	112.4	G11 L18	G11-G14 PolarHBondContact O-N 2.85Å; G14-L18 WeakPolarHBondContact O-CG 3.18Å; G14-L18 PolarHBondContact O-N 3.33Å
15	D	49.2	Very low	50.7	Low	104 Å²	104	121.9 Å²	121.9	56%	0.556	64%	0.642	S	S	*	*	H	α-helix	trans	-73.3	-32.7	-177.7	-77.8	-14	0	0	0	113.1	G11 L18 R19	G11-D15 PolarHBondContact O-N 3.07Å; D15-L18 PolarHBondContact O-N 3.12Å; D15-R19 WeakPolarHBondContact O-CG 3.43Å; D15-R19 PolarHBondContact O-N 3.29Å; D15-R19 VanDerWaalsContact O-N 3.07Å
16	D	47.7	Very low	52.4	Low	91 Å²	91	117.5 Å²	117.5	49%	0.487	63%	0.628	S	S	.	*	H	α-helix	trans	-74.8	-31.6	176.6	-83.6	-16.7	0	0	0	113	V12 L18 R19	V12-D16 PolarHBondContact O-N 3Å; D16-L18 VanDerWaalsContact C-N 3.34Å; D16-R19 PolarHBondContact O-N 2.67Å
17	L	46.6	Very low	53.9	Low	128 Å²	128	110.8 Å²	110.8	67%	0.67	61%	0.61	S	S	*	*	H	α-helix	trans	-70.8	-28.8	172.2	-93.5	156.5	0	0	0	112.7	I13	I13-L17 HydrophobicContact CG2-CD1 4.18Å; I13-L17 PolarHBondContact O-N 2.68Å
18	L	50.2	Low	55.5	Low	138 Å²	138	109.2 Å²	109.2	72%	0.723	60%	0.601	S	S	*	*	H	α-helix	trans	-79.5	-24	174.4	-75.2	166.3	0	0	0	112.9	G14 D15 D16	G14-L18 WeakPolarHBondContact O-CG 3.18Å; G14-L18 PolarHBondContact O-N 3.33Å; D15-L18 PolarHBondContact O-N 3.12Å; D16-L18 VanDerWaalsContact C-N 3.34Å
19	R	51.9	Low	57.1	Low	201 Å²	201	109.3 Å²	109.3	76%	0.758	59%	0.59	S	S	*	*	H	α-helix	trans	-73.5	-26.6	177.3	-82.3	177.8	179	-153.7	0.5	114.1	D15 D16 G21	D15-R19 WeakPolarHBondContact O-CG 3.43Å; D15-R19 PolarHBondContact O-N 3.29Å; D15-R19 VanDerWaalsContact O-N 3.07Å; D16-R19 PolarHBondContact O-N 2.67Å; R19-G21 PolarHBondContact O-N 3.32Å
20	F	47.1	Very low	58.7	Low	158 Å²	158	105.8 Å²	105.8	69%	0.693	58%	0.577	S	S	*	*	S	Bend	trans	-94.2	79.6	170.1	-73.3	-79.4	0	0	0	110.7	K22 P24	F20-K22 PolarHBondContact O-N 3.26Å; F20-P24 HydrophobicContact CB-CG 4.42Å; F20-P24 WeakPolarHBondContact O-CD 3.4Å
21	G	50.6	Low	60.4	Low	52 Å²	52	105.4 Å²	105.4	54%	0.536	57%	0.568	S	S	.	*			trans	-47	125.3	-173.8	0	0	0	0	0	115	R19 L23	R19-G21 PolarHBondContact O-N 3.32Å; G21-L23 PolarHBondContact O-N 3.09Å
22	K	60.5	Low	62.4	Low	176 Å²	176	107.2 Å²	107.2	77%	0.765	57%	0.566	S	S	*	*	S	Bend	trans	55	-35.6	158.1	-59.2	-174.2	-178.7	-178.6	0	118.8	F20 C26	F20-K22 PolarHBondContact O-N 3.26Å; K22-C26 VanDerWaalsContact O-CB 3.26Å; K22-C26 WeakPolarHBondContact O-CB 3.28Å; K22-C26 PolarHBondContact O-N 2.98Å; K22-C26 PolarHBondContact O-SG 3.05Å
23	L	64.4	Low	64.1	Low	130 Å²	130	107.9 Å²	107.9	68%	0.681	57%	0.566	S	S	*	*	H	α-helix	trans	-64.5	-47.9	-174	-135.8	87.9	0	0	0	113.6	G21 C26 L27	G21-L23 PolarHBondContact O-N 3.09Å; L23-C26 PolarHBondContact O-N 3.27Å; L23-L27 WeakPolarHBondContact O-CB 3.49Å; L23-L27 PolarHBondContact O-N 3.05Å
24	P	63	Low	65.7	Low	66 Å²	66	105.9 Å²	105.9	43%	0.429	56%	0.56	S	S	.	*	H	α-helix	trans	-67.7	-38.8	-179.6	-13.7	27	0	0	0	111.5	F20 L27 F28	F20-P24 HydrophobicContact CB-CG 4.42Å; F20-P24 WeakPolarHBondContact O-CD 3.4Å; P24-L27 PolarHBondContact O-N 3.41Å; P24-F28 WeakPolarHBondContact O-CB 3.49Å; P24-F28 PolarHBondContact O-N 3.07Å
25	L	70.1	Confident	67.2	Low	115 Å²	115	106.8 Å²	106.8	60%	0.602	56%	0.564	S	S	*	*	H	α-helix	trans	-65.6	-44.3	177.4	-169.7	73.6	0	0	0	111.1	F28 I29	L25-F28 PolarHBondContact O-N 3.37Å; L25-I29 HydrophobicContact CG-CD1 4.08Å; L25-I29 WeakPolarHBondContact O-CB 3.41Å; L25-I29 VanDerWaalsContact O-CG1 3.23Å; L25-I29 WeakPolarHBondContact O-CG1 3.29Å; L25-I29 PolarHBondContact O-N 2.88Å
26	C	75.5	Confident	69	Low	71 Å²	71	105.7 Å²	105.7	48%	0.48	56%	0.561	S	S	.	*	H	α-helix	trans	-63	-42.5	174.4	-74.6	0	0	0	0	111.9	K22 L23 I29 C30	K22-C26 VanDerWaalsContact O-CB 3.26Å; K22-C26 WeakPolarHBondContact O-CB 3.28Å; K22-C26 PolarHBondContact O-N 2.98Å; K22-C26 PolarHBondContact O-SG 3.05Å; L23-C26 PolarHBondContact O-N 3.27Å; C26-I29 PolarHBondContact O-N 3.43Å; C26-C30 WeakPolarHBondContact O-CB 3.3Å; C26-C30 PolarHBondContact O-N 3.21Å; C26-C30 PolarHBondContact O-SG 2.79Å
27	L	75.1	Confident	70.9	Confident	101 Å²	101	105 Å²	105	53%	0.529	56%	0.56	S	S	.	*	H	α-helix	trans	-62	-44.3	175.2	-97.7	152.7	0	0	0	111.8	L23 P24 C30 I31	L23-L27 WeakPolarHBondContact O-CB 3.49Å; L23-L27 PolarHBondContact O-N 3.05Å; P24-L27 PolarHBondContact O-N 3.41Å; L27-C30 PolarHBondContact O-N 3.03Å; L27-I31 WeakPolarHBondContact O-CD1 3.42Å; L27-I31 VanDerWaalsContact O-CG1 3.29Å; L27-I31 WeakPolarHBondContact O-CG1 3.26Å; L27-I31 PolarHBondContact O-N 2.91Å
28	F	74.4	Confident	72.8	Confident	131 Å²	131	103.5 Å²	103.5	58%	0.575	56%	0.556	S	S	*	*	H	α-helix	trans	-62.9	-44.5	177.6	-170.5	-105.7	0	0	0	111.8	P24 L25 I31 I32	P24-F28 WeakPolarHBondContact O-CB 3.49Å; P24-F28 PolarHBondContact O-N 3.07Å; L25-F28 PolarHBondContact O-N 3.37Å; F28-I31 PolarHBondContact O-N 2.97Å; F28-I32 HydrophobicContact CD1-CD1 3.77Å; F28-I32 HydrophobicContact CE1-CD1 3.34Å; F28-I32 HydrophobicContact CE1-CG1 4.45Å; F28-I32 HydrophobicContact CE2-CD1 4.48Å; F28-I32 HydrophobicContact CZ-CD1 3.75Å; F28-I32 WeakPolarHBondContact O-CG1 3.31Å; F28-I32 PolarHBondContact O-N 2.9Å
29	I	80.7	Confident	74.5	Confident	82 Å²	82	101.9 Å²	101.9	42%	0.421	55%	0.551	S	S	.	*	H	α-helix	trans	-62.9	-42.3	174.9	-68.1	166.9	0	0	0	110.9	L25 C26 I31 I32 L33	L25-I29 HydrophobicContact CG-CD1 4.08Å; L25-I29 WeakPolarHBondContact O-CB 3.41Å; L25-I29 VanDerWaalsContact O-CG1 3.23Å; L25-I29 WeakPolarHBondContact O-CG1 3.29Å; L25-I29 PolarHBondContact O-N 2.88Å; C26-I29 PolarHBondContact O-N 3.43Å; I29-I31 PolarHBondContact O-N 2.73Å; I29-I32 PolarHBondContact O-N 3.24Å; I29-L33 HydrophobicContact CG2-CD1 3.76Å; I29-L33 HydrophobicContact CG2-CG 4.32Å; I29-L33 WeakPolarHBondContact O-CB 3.29Å; I29-L33 WeakPolarHBondContact O-CG 3.46Å; I29-L33 PolarHBondContact O-N 2.98Å
30	C	81.9	Confident	76.1	Confident	73 Å²	73	95.8 Å²	95.8	49%	0.493	54%	0.537	S	S	.	.	H	α-helix	trans	-64.1	-40	177.5	-71.1	0	0	0	0	112.3	C26 L27 T34	C26-C30 WeakPolarHBondContact O-CB 3.3Å; C26-C30 PolarHBondContact O-N 3.21Å; C26-C30 PolarHBondContact O-SG 2.79Å; L27-C30 PolarHBondContact O-N 3.03Å; C30-T34 WeakPolarHBondContact O-CB 3.4Å; C30-T34 WeakPolarHBondContact O-CG2 3.44Å; C30-T34 PolarHBondContact O-N 3.29Å; C30-T34 PolarHBondContact O-OG1 2.9Å
31	I	82.5	Confident	77.9	Confident	102 Å²	102	92.1 Å²	92.1	52%	0.523	53%	0.528	S	S	.	.	H	α-helix	trans	-65.1	-42.4	176.7	-70.5	161.2	0	0	0	110.8	L27 F28 I29 T34 A35	L27-I31 WeakPolarHBondContact O-CD1 3.42Å; L27-I31 VanDerWaalsContact O-CG1 3.29Å; L27-I31 WeakPolarHBondContact O-CG1 3.26Å; L27-I31 PolarHBondContact O-N 2.91Å; F28-I31 PolarHBondContact O-N 2.97Å; I29-I31 PolarHBondContact O-N 2.73Å; I31-T34 WeakPolarHBondContact CA-OG1 3.46Å; I31-T34 PolarHBondContact O-OG1 2.8Å; I31-A35 WeakPolarHBondContact O-CB 3.47Å; I31-A35 PolarHBondContact O-N 2.66Å
32	I	86	Confident	79.6	Confident	81 Å²	81	91.7 Å²	91.7	42%	0.415	52%	0.519	S	S	.	.	H	α-helix	trans	-65.7	-47.2	177.1	-69.5	175	0	0	0	110.9	F28 I29 T34 A35 V36	F28-I32 HydrophobicContact CD1-CD1 3.77Å; F28-I32 HydrophobicContact CE1-CD1 3.34Å; F28-I32 HydrophobicContact CE1-CG1 4.45Å; F28-I32 HydrophobicContact CE2-CD1 4.48Å; F28-I32 HydrophobicContact CZ-CD1 3.75Å; F28-I32 WeakPolarHBondContact O-CG1 3.31Å; F28-I32 PolarHBondContact O-N 2.9Å; I29-I32 PolarHBondContact O-N 3.24Å; I32-T34 PolarHBondContact O-N 3.2Å; I32-A35 PolarHBondContact O-N 2.89Å; I32-V36 HydrophobicContact CG2-CG2 4.34Å; I32-V36 VanDerWaalsContact O-CG2 3.31Å; I32-V36 WeakPolarHBondContact O-CG2 3.37Å; I32-V36 PolarHBondContact O-N 2.92Å
33	L	86.2	Confident	80.8	Confident	107 Å²	107	89.1 Å²	89.1	56%	0.56	51%	0.509	S	S	*	.	H	α-helix	trans	-60.7	-44.8	179.5	-75.6	170.2	0	0	0	111.4	I29 V36 T37	I29-L33 HydrophobicContact CG2-CD1 3.76Å; I29-L33 HydrophobicContact CG2-CG 4.32Å; I29-L33 WeakPolarHBondContact O-CB 3.29Å; I29-L33 WeakPolarHBondContact O-CG 3.46Å; I29-L33 PolarHBondContact O-N 2.98Å; L33-V36 PolarHBondContact O-N 3.09Å; L33-T37 PolarHBondContact O-N 3.24Å; L33-T37 PolarHBondContact O-OG1 2.93Å
34	T	85.4	Confident	81.8	Confident	82 Å²	82	88.8 Å²	88.8	50%	0.503	50%	0.504	S	S	.	.	H	α-helix	trans	-62.4	-45.1	177.3	46.9	0	0	0	0	111.9	C30 I31 I32 V36 T37 V38	C30-T34 WeakPolarHBondContact O-CB 3.4Å; C30-T34 WeakPolarHBondContact O-CG2 3.44Å; C30-T34 PolarHBondContact O-N 3.29Å; C30-T34 PolarHBondContact O-OG1 2.9Å; I31-T34 WeakPolarHBondContact CA-OG1 3.46Å; I31-T34 PolarHBondContact O-OG1 2.8Å; I32-T34 PolarHBondContact O-N 3.2Å; T34-V36 PolarHBondContact O-N 3.01Å; T34-T37 VanDerWaalsContact CA-OG1 3.28Å; T34-T37 WeakPolarHBondContact CA-OG1 3.22Å; T34-T37 PolarHBondContact O-N 3.46Å; T34-T37 PolarHBondContact O-OG1 3.02Å; T34-V38 WeakPolarHBondContact O-CG2 3.3Å; T34-V38 PolarHBondContact O-N 3.5Å
35	A	82	Confident	82.9	Confident	54 Å²	54	89.6 Å²	89.6	45%	0.446	51%	0.508	S	S	.	.	H	α-helix	trans	-60.3	-44.4	175.7	0	0	0	0	0	112.3	I31 I32 V38 V39	I31-A35 WeakPolarHBondContact O-CB 3.47Å; I31-A35 PolarHBondContact O-N 2.66Å; I32-A35 PolarHBondContact O-N 2.89Å; A35-V38 PolarHBondContact O-N 2.79Å; A35-V39 WeakPolarHBondContact O-CG2 3.26Å; A35-V39 PolarHBondContact O-N 3.29Å
36	V	87.8	Confident	83.7	Confident	80 Å²	80	93.2 Å²	93.2	49%	0.485	51%	0.513	S	S	.	.	H	α-helix	trans	-62.1	-46.4	176.2	172.1	0	0	0	0	110.7	I32 L33 T34 V38 V39 T40	I32-V36 HydrophobicContact CG2-CG2 4.34Å; I32-V36 VanDerWaalsContact O-CG2 3.31Å; I32-V36 WeakPolarHBondContact O-CG2 3.37Å; I32-V36 PolarHBondContact O-N 2.92Å; L33-V36 PolarHBondContact O-N 3.09Å; T34-V36 PolarHBondContact O-N 3.01Å; V36-V38 VanDerWaalsContact C-N 3.34Å; V36-V38 PolarHBondContact O-N 2.88Å; V36-V39 PolarHBondContact O-N 3.13Å; V36-T40 HydrophobicContact CG1-CG2 4.16Å; V36-T40 WeakPolarHBondContact O-CG2 3.46Å; V36-T40 PolarHBondContact O-N 3.01Å; V36-T40 PolarHBondContact O-OG1 3.47Å; V36-T40 VanDerWaalsContact O-OG1 3.07Å
37	T	87	Confident	84.3	Confident	77 Å²	77	94 Å²	94	47%	0.472	51%	0.512	S	S	.	.	H	α-helix	trans	-62	-37	177	34.1	0	0	0	0	113.5	L33 T34 T40 T41	L33-T37 PolarHBondContact O-N 3.24Å; L33-T37 PolarHBondContact O-OG1 2.93Å; T34-T37 VanDerWaalsContact CA-OG1 3.28Å; T34-T37 WeakPolarHBondContact CA-OG1 3.22Å; T34-T37 PolarHBondContact O-N 3.46Å; T34-T37 PolarHBondContact O-OG1 3.02Å; T37-T40 WeakPolarHBondContact CA-OG1 3.29Å; T37-T40 PolarHBondContact O-OG1 3.46Å; T37-T41 VanDerWaalsContact O-CB 3.32Å; T37-T41 WeakPolarHBondContact O-CB 3.42Å; T37-T41 VanDerWaalsContact O-CG2 3.27Å; T37-T41 WeakPolarHBondContact O-CG2 3.29Å; T37-T41 PolarHBondContact O-N 2.93Å; T37-T41 PolarHBondContact O-OG1 3.33Å
38	V	87	Confident	84.8	Confident	97 Å²	97	93.7 Å²	93.7	59%	0.588	51%	0.51	S	S	*	.	H	α-helix	trans	-68	-40.8	177	171.8	0	0	0	0	110.9	T34 A35 V36 T41 A42	T34-V38 WeakPolarHBondContact O-CG2 3.3Å; T34-V38 PolarHBondContact O-N 3.5Å; A35-V38 PolarHBondContact O-N 2.79Å; V36-V38 VanDerWaalsContact C-N 3.34Å; V36-V38 PolarHBondContact O-N 2.88Å; V38-T41 WeakPolarHBondContact CA-OG1 3.48Å; V38-T41 PolarHBondContact O-OG1 3.4Å; V38-T41 VanDerWaalsContact O-OG1 3.06Å; V38-A42 VanDerWaalsContact O-CB 3.23Å; V38-A42 WeakPolarHBondContact O-CB 3.3Å; V38-A42 PolarHBondContact O-N 2.98Å
39	V	85.3	Confident	85.5	Confident	103 Å²	103	90.5 Å²	90.5	62%	0.624	50%	0.502	S	S	*	.	H	α-helix	trans	-68.5	-44	177.6	173.8	0	0	0	0	111.2	A35 V36 A42 H43	A35-V39 WeakPolarHBondContact O-CG2 3.26Å; A35-V39 PolarHBondContact O-N 3.29Å; V36-V39 PolarHBondContact O-N 3.13Å; V39-A42 PolarHBondContact O-N 3.49Å; V39-H43 WeakPolarHBondContact O-CB 3.38Å; V39-H43 PolarHBondContact O-N 3.37Å
40	T	85.2	Confident	85.7	Confident	74 Å²	74	89.2 Å²	89.2	45%	0.454	50%	0.503	S	S	.	.	H	α-helix	trans	-67.5	-42.9	179.2	55.8	0	0	0	0	111.6	V36 T37 H43 H44	V36-T40 HydrophobicContact CG1-CG2 4.16Å; V36-T40 WeakPolarHBondContact O-CG2 3.46Å; V36-T40 PolarHBondContact O-N 3.01Å; V36-T40 PolarHBondContact O-OG1 3.47Å; V36-T40 VanDerWaalsContact O-OG1 3.07Å; T37-T40 WeakPolarHBondContact CA-OG1 3.29Å; T37-T40 PolarHBondContact O-OG1 3.46Å; T40-H43 PolarHBondContact O-N 3.42Å; T40-H44 WeakPolarHBondContact O-CB 3.39Å; T40-H44 PolarHBondContact O-N 2.8Å
41	T	86.1	Confident	86	Confident	81 Å²	81	90.6 Å²	90.6	50%	0.497	50%	0.503	S	S	.	.	H	α-helix	trans	-62.4	-46.3	174.6	48.8	0	0	0	0	111.4	T37 V38 H43 H44 T45	T37-T41 VanDerWaalsContact O-CB 3.32Å; T37-T41 WeakPolarHBondContact O-CB 3.42Å; T37-T41 VanDerWaalsContact O-CG2 3.27Å; T37-T41 WeakPolarHBondContact O-CG2 3.29Å; T37-T41 PolarHBondContact O-N 2.93Å; T37-T41 PolarHBondContact O-OG1 3.33Å; V38-T41 WeakPolarHBondContact CA-OG1 3.48Å; V38-T41 PolarHBondContact O-OG1 3.4Å; V38-T41 VanDerWaalsContact O-OG1 3.06Å; T41-H43 VanDerWaalsContact C-N 3.3Å; T41-H43 PolarHBondContact O-N 3.27Å; T41-H44 PolarHBondContact O-N 3.47Å; T41-T45 PolarHBondContact O-N 2.85Å; T41-T45 PolarHBondContact O-OG1 2.9Å
42	A	84.8	Confident	86.4	Confident	42 Å²	42	94.3 Å²	94.3	35%	0.347	51%	0.51	S	S	.	.	H	α-helix	trans	-60.6	-37.9	176.1	0	0	0	0	0	112.7	V38 V39 R46	V38-A42 VanDerWaalsContact O-CB 3.23Å; V38-A42 WeakPolarHBondContact O-CB 3.3Å; V38-A42 PolarHBondContact O-N 2.98Å; V39-A42 PolarHBondContact O-N 3.49Å; A42-R46 WeakPolarHBondContact O-CG 3.47Å; A42-R46 PolarHBondContact O-N 3.42Å
43	H	86.8	Confident	86.5	Confident	123 Å²	123	96.3 Å²	96.3	57%	0.569	52%	0.518	S	S	*	.	H	α-helix	trans	-68.3	-44.5	175.5	-172.9	9	0	0	0	111.9	V39 T40 T41 T45 R46 L47	V39-H43 WeakPolarHBondContact O-CB 3.38Å; V39-H43 PolarHBondContact O-N 3.37Å; T40-H43 PolarHBondContact O-N 3.42Å; T41-H43 VanDerWaalsContact C-N 3.3Å; T41-H43 PolarHBondContact O-N 3.27Å; H43-T45 VanDerWaalsContact C-N 3.34Å; H43-T45 PolarHBondContact O-N 3.25Å; H43-R46 PolarHBondContact O-N 3.48Å; H43-L47 PolarHBondContact O-N 3.5Å
44	H	86.1	Confident	86.5	Confident	123 Å²	123	97 Å²	97	57%	0.569	52%	0.518	S	S	*	.	H	α-helix	trans	-63.1	-40.5	178.5	-135.7	-95.5	0	0	0	111.5	T40 T41 R46 L47 L48	T40-H44 WeakPolarHBondContact O-CB 3.39Å; T40-H44 PolarHBondContact O-N 2.8Å; T41-H44 PolarHBondContact O-N 3.47Å; H44-R46 VanDerWaalsContact C-N 3.35Å; H44-R46 PolarHBondContact O-N 2.85Å; H44-L47 PolarHBondContact O-N 3.2Å; H44-L48 WeakPolarHBondContact O-CB 3.29Å; H44-L48 WeakPolarHBondContact O-CG 3.43Å; H44-L48 PolarHBondContact O-N 2.99Å
45	T	85	Confident	86.6	Confident	83 Å²	83	98.3 Å²	98.3	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-63	-40.3	175.6	-50.4	0	0	0	0	111.5	T41 H43 T49	T41-T45 PolarHBondContact O-N 2.85Å; T41-T45 PolarHBondContact O-OG1 2.9Å; H43-T45 VanDerWaalsContact C-N 3.34Å; H43-T45 PolarHBondContact O-N 3.25Å; T45-T49 WeakPolarHBondContact O-CB 3.44Å; T45-T49 PolarHBondContact O-N 3.06Å; T45-T49 PolarHBondContact O-OG1 3.49Å
46	R	86.5	Confident	86.9	Confident	191 Å²	191	97.9 Å²	97.9	72%	0.721	51%	0.513	S	S	*	.	H	α-helix	trans	-62.9	-42	174.3	-70.8	179.4	-155.6	-157.9	6.5	112	A42 H43 H44 T49 A50	A42-R46 WeakPolarHBondContact O-CG 3.47Å; A42-R46 PolarHBondContact O-N 3.42Å; H43-R46 PolarHBondContact O-N 3.48Å; H44-R46 VanDerWaalsContact C-N 3.35Å; H44-R46 PolarHBondContact O-N 2.85Å; R46-T49 PolarHBondContact O-N 3.49Å; R46-A50 PolarHBondContact O-N 2.82Å; R46-A50 VanDerWaalsContact O-N 3.07Å
47	L	87.7	Confident	86.9	Confident	86 Å²	86	99.9 Å²	99.9	45%	0.45	52%	0.521	S	S	.	.	H	α-helix	trans	-64.9	-45.2	179.5	-150	102.8	0	0	0	111.5	H43 H44 T49 A50 Q51	H43-L47 PolarHBondContact O-N 3.5Å; H44-L47 PolarHBondContact O-N 3.2Å; L47-T49 VanDerWaalsContact C-N 3.32Å; L47-T49 PolarHBondContact O-N 3.3Å; L47-A50 PolarHBondContact O-N 2.99Å; L47-Q51 WeakPolarHBondContact O-CG 3.35Å; L47-Q51 PolarHBondContact O-N 3.28Å
48	L	87.4	Confident	86.8	Confident	95 Å²	95	101 Å²	101	50%	0.497	52%	0.52	S	S	.	.	H	α-helix	trans	-64.5	-36	176.4	-72.6	170	0	0	0	112.3	H44 R52	H44-L48 WeakPolarHBondContact O-CB 3.29Å; H44-L48 WeakPolarHBondContact O-CG 3.43Å; H44-L48 PolarHBondContact O-N 2.99Å; L48-R52 VanDerWaalsContact O-CB 3.3Å; L48-R52 WeakPolarHBondContact O-CB 3.37Å; L48-R52 PolarHBondContact O-N 3.49Å
49	T	87.7	Confident	86.9	Confident	64 Å²	64	102.5 Å²	102.5	39%	0.393	52%	0.516	S	S	.	.	H	α-helix	trans	-66.2	-43.7	176.9	-50.9	0	0	0	0	110.6	T45 R46 L47 R52 E53	T45-T49 WeakPolarHBondContact O-CB 3.44Å; T45-T49 PolarHBondContact O-N 3.06Å; T45-T49 PolarHBondContact O-OG1 3.49Å; R46-T49 PolarHBondContact O-N 3.49Å; L47-T49 VanDerWaalsContact C-N 3.32Å; L47-T49 PolarHBondContact O-N 3.3Å; T49-R52 PolarHBondContact O-N 2.85Å; T49-E53 WeakPolarHBondContact O-CG 3.39Å; T49-E53 PolarHBondContact O-N 2.84Å
50	A	85.7	Confident	86.8	Confident	55 Å²	55	100.7 Å²	100.7	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-64.8	-42.6	176.3	0	0	0	0	0	112.6	R46 L47 R52 E53 Q54	R46-A50 PolarHBondContact O-N 2.82Å; R46-A50 VanDerWaalsContact O-N 3.07Å; L47-A50 PolarHBondContact O-N 2.99Å; A50-R52 VanDerWaalsContact C-N 3.33Å; A50-R52 PolarHBondContact O-N 3.45Å; A50-E53 PolarHBondContact O-N 3.39Å; A50-Q54 PolarHBondContact O-N 3.48Å
51	Q	88.1	Confident	86.6	Confident	102 Å²	102	99.8 Å²	99.8	48%	0.477	50%	0.503	S	S	.	.	H	α-helix	trans	-62.3	-40.3	174.4	-75.2	177.9	-27.4	0	0	112	L47 Q54 L55	L47-Q51 WeakPolarHBondContact O-CG 3.35Å; L47-Q51 PolarHBondContact O-N 3.28Å; Q51-Q54 PolarHBondContact O-N 3.43Å; Q51-L55 WeakPolarHBondContact O-CG 3.47Å; Q51-L55 PolarHBondContact O-N 2.84Å
52	R	90	Very high	86.4	Confident	180 Å²	180	101.1 Å²	101.1	68%	0.679	51%	0.506	S	S	*	.	H	α-helix	trans	-63.9	-42.4	175.8	-177.8	178	179.4	-100.4	0.1	111.8	L48 T49 A50 Q54 L55 V56	L48-R52 VanDerWaalsContact O-CB 3.3Å; L48-R52 WeakPolarHBondContact O-CB 3.37Å; L48-R52 PolarHBondContact O-N 3.49Å; T49-R52 PolarHBondContact O-N 2.85Å; A50-R52 VanDerWaalsContact C-N 3.33Å; A50-R52 PolarHBondContact O-N 3.45Å; R52-Q54 VanDerWaalsContact C-N 3.32Å; R52-L55 PolarHBondContact O-N 3.34Å; R52-V56 WeakPolarHBondContact O-CB 3.36Å; R52-V56 VanDerWaalsContact O-CG2 3.26Å; R52-V56 WeakPolarHBondContact O-CG2 3.49Å; R52-V56 PolarHBondContact O-N 2.88Å
53	E	88.9	Confident	86	Confident	124 Å²	124	103 Å²	103	58%	0.579	51%	0.51	S	S	*	.	H	α-helix	trans	-61.6	-41.4	175.9	-75.6	173.4	-178.2	0	0	111.4	T49 A50 V56 L57	T49-E53 WeakPolarHBondContact O-CG 3.39Å; T49-E53 PolarHBondContact O-N 2.84Å; A50-E53 PolarHBondContact O-N 3.39Å; E53-V56 PolarHBondContact O-N 2.88Å; E53-L57 WeakPolarHBondContact O-CG 3.39Å; E53-L57 PolarHBondContact O-N 2.83Å
54	Q	86.9	Confident	85.6	Confident	120 Å²	120	102.2 Å²	102.2	56%	0.561	51%	0.509	S	S	*	.	H	α-helix	trans	-65.2	-44.1	176.3	-170.9	172.9	-22	0	0	112.5	A50 Q51 R52 V56 L57 E58	A50-Q54 PolarHBondContact O-N 3.48Å; Q51-Q54 PolarHBondContact O-N 3.43Å; R52-Q54 VanDerWaalsContact C-N 3.32Å; Q54-V56 VanDerWaalsContact C-N 3.3Å; Q54-V56 PolarHBondContact O-N 3.37Å; Q54-L57 PolarHBondContact O-N 3.27Å; Q54-E58 PolarHBondContact O-N 3.14Å
55	L	87.1	Confident	85	Confident	111 Å²	111	102.1 Å²	102.1	58%	0.581	51%	0.509	S	S	*	.	H	α-helix	trans	-64.5	-33.6	175.9	-72.9	170.5	0	0	0	112.6	Q51 R52 R59	Q51-L55 WeakPolarHBondContact O-CG 3.47Å; Q51-L55 PolarHBondContact O-N 2.84Å; R52-L55 PolarHBondContact O-N 3.34Å; L55-R59 WeakPolarHBondContact O-CB 3.4Å; L55-R59 PolarHBondContact O-N 3.2Å
56	V	88.3	Confident	84.3	Confident	45 Å²	45	106.1 Å²	106.1	27%	0.273	52%	0.515	S	S	.	.	H	α-helix	trans	-66.3	-41.6	174.3	164.5	0	0	0	0	110.8	R52 E53 Q54 R59 D60	R52-V56 WeakPolarHBondContact O-CB 3.36Å; R52-V56 VanDerWaalsContact O-CG2 3.26Å; R52-V56 WeakPolarHBondContact O-CG2 3.49Å; R52-V56 PolarHBondContact O-N 2.88Å; E53-V56 PolarHBondContact O-N 2.88Å; Q54-V56 VanDerWaalsContact C-N 3.3Å; Q54-V56 PolarHBondContact O-N 3.37Å; V56-R59 PolarHBondContact O-N 3.23Å; V56-D60 WeakPolarHBondContact O-CB 3.4Å; V56-D60 PolarHBondContact O-N 2.97Å
57	L	87.1	Confident	83.7	Confident	122 Å²	122	105.4 Å²	105.4	64%	0.639	51%	0.512	S	S	*	.	H	α-helix	trans	-65.4	-41.2	175.6	-70	170.2	0	0	0	112.4	E53 Q54 D60 A61	E53-L57 WeakPolarHBondContact O-CG 3.39Å; E53-L57 PolarHBondContact O-N 2.83Å; Q54-L57 PolarHBondContact O-N 3.27Å; L57-D60 PolarHBondContact O-N 3.26Å; L57-A61 WeakPolarHBondContact O-CB 3.26Å; L57-A61 PolarHBondContact O-N 3.4Å
58	E	86.2	Confident	82.9	Confident	100 Å²	100	105.4 Å²	105.4	47%	0.467	51%	0.512	S	S	.	.	H	α-helix	trans	-64.1	-42.6	175.2	-76.5	175.4	-172.1	0	0	111.8	Q54 A61 L62	Q54-E58 PolarHBondContact O-N 3.14Å; E58-A61 PolarHBondContact O-N 2.96Å; E58-L62 WeakPolarHBondContact O-CG 3.46Å; E58-L62 PolarHBondContact O-N 2.91Å
59	R	88.2	Confident	82.1	Confident	129 Å²	129	105.3 Å²	105.3	49%	0.487	51%	0.512	S	S	.	.	H	α-helix	trans	-60.5	-47.4	173.4	179.8	-154.8	64.1	-169.6	-1.1	111.4	L55 V56 A61 L62 D63	L55-R59 WeakPolarHBondContact O-CB 3.4Å; L55-R59 PolarHBondContact O-N 3.2Å; V56-R59 PolarHBondContact O-N 3.23Å; R59-A61 VanDerWaalsContact C-N 3.27Å; R59-A61 PolarHBondContact O-N 3.39Å; R59-L62 PolarHBondContact O-N 3.43Å; R59-D63 PolarHBondContact O-N 2.86Å
60	D	84	Confident	81.3	Confident	65 Å²	65	104.6 Å²	104.6	35%	0.348	51%	0.505	S	S	.	.	H	α-helix	trans	-65.2	-34.1	-178.4	-68.7	-7.1	0	0	0	111.4	V56 L57 I64	V56-D60 WeakPolarHBondContact O-CB 3.4Å; V56-D60 PolarHBondContact O-N 2.97Å; L57-D60 PolarHBondContact O-N 3.26Å; D60-I64 VanDerWaalsContact O-CG1 3.29Å; D60-I64 WeakPolarHBondContact O-CG1 3.45Å; D60-I64 PolarHBondContact O-N 3.36Å; D60-I64 VanDerWaalsContact O-N 3.14Å
61	A	80.7	Confident	80.5	Confident	55 Å²	55	107.4 Å²	107.4	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-65.4	-45.4	172.1	0	0	0	0	0	112.1	L57 E58 R59 D63 I64 E65	L57-A61 WeakPolarHBondContact O-CB 3.26Å; L57-A61 PolarHBondContact O-N 3.4Å; E58-A61 PolarHBondContact O-N 2.96Å; R59-A61 VanDerWaalsContact C-N 3.27Å; R59-A61 PolarHBondContact O-N 3.39Å; A61-D63 VanDerWaalsContact C-N 3.35Å; A61-D63 PolarHBondContact O-N 3.44Å; A61-I64 PolarHBondContact O-N 2.88Å; A61-E65 PolarHBondContact O-N 3.38Å
62	L	80.3	Confident	79.5	Confident	109 Å²	109	108.3 Å²	108.3	57%	0.571	52%	0.516	S	S	*	.	H	α-helix	trans	-62.5	-39.5	175.2	-76.4	166.6	0	0	0	112.1	E58 R59 I64 E65 W66	E58-L62 WeakPolarHBondContact O-CG 3.46Å; E58-L62 PolarHBondContact O-N 2.91Å; R59-L62 PolarHBondContact O-N 3.43Å; L62-I64 VanDerWaalsContact C-N 3.31Å; L62-I64 PolarHBondContact O-N 2.94Å; L62-E65 PolarHBondContact O-N 3.26Å; L62-W66 VanDerWaalsContact O-CB 3.29Å; L62-W66 WeakPolarHBondContact O-CB 3.3Å; L62-W66 PolarHBondContact O-N 2.89Å
63	D	78	Confident	78.3	Confident	81 Å²	81	105.5 Å²	105.5	43%	0.433	51%	0.511	S	S	.	.	H	α-helix	trans	-64.1	-36.1	176.6	-86	-14.7	0	0	0	111.9	R59 A61 R67	R59-D63 PolarHBondContact O-N 2.86Å; A61-D63 VanDerWaalsContact C-N 3.35Å; A61-D63 PolarHBondContact O-N 3.44Å; D63-R67 WeakPolarHBondContact O-CB 3.36Å; D63-R67 VanDerWaalsContact O-CG 3.26Å; D63-R67 WeakPolarHBondContact O-CG 3.47Å; D63-R67 PolarHBondContact O-N 3.27Å
64	I	77.2	Confident	77.2	Confident	106 Å²	106	105.5 Å²	105.5	54%	0.544	52%	0.515	S	S	.	.	H	α-helix	trans	-67.6	-46	174	-69.2	165	0	0	0	110.4	D60 A61 L62 W66 R67 N68	D60-I64 VanDerWaalsContact O-CG1 3.29Å; D60-I64 WeakPolarHBondContact O-CG1 3.45Å; D60-I64 PolarHBondContact O-N 3.36Å; D60-I64 VanDerWaalsContact O-N 3.14Å; A61-I64 PolarHBondContact O-N 2.88Å; L62-I64 VanDerWaalsContact C-N 3.31Å; L62-I64 PolarHBondContact O-N 2.94Å; I64-W66 VanDerWaalsContact C-N 3.34Å; I64-W66 PolarHBondContact O-N 2.9Å; I64-R67 PolarHBondContact O-N 2.92Å; I64-N68 PolarHBondContact O-N 2.96Å
65	E	74.8	Confident	76	Confident	121 Å²	121	103.7 Å²	103.7	57%	0.565	52%	0.52	S	S	*	.	H	α-helix	trans	-63.1	-42.2	179.7	-159.3	170.5	-149.9	0	0	111.2	A61 L62 R67 N68 L69	A61-E65 PolarHBondContact O-N 3.38Å; L62-E65 PolarHBondContact O-N 3.26Å; E65-R67 PolarHBondContact O-N 3.38Å; E65-N68 PolarHBondContact O-N 3.2Å; E65-L69 WeakPolarHBondContact O-CG 3.33Å; E65-L69 PolarHBondContact O-N 3.41Å
66	W	69.2	Low	74.3	Confident	167 Å²	167	105.2 Å²	105.2	63%	0.633	53%	0.528	S	S	*	.	H	α-helix	trans	-64.8	-39.4	176.1	-159.9	75.2	0	0	0	112.5	L62 I64 N68 L69 I70	L62-W66 VanDerWaalsContact O-CB 3.29Å; L62-W66 WeakPolarHBondContact O-CB 3.3Å; L62-W66 PolarHBondContact O-N 2.89Å; I64-W66 VanDerWaalsContact C-N 3.34Å; I64-W66 PolarHBondContact O-N 2.9Å; W66-N68 VanDerWaalsContact C-N 3.34Å; W66-N68 PolarHBondContact O-N 2.93Å; W66-L69 PolarHBondContact O-N 3.34Å; W66-I70 HydrophobicContact CD2-CD1 3.87Å; W66-I70 HydrophobicContact CD2-CG1 4.45Å; W66-I70 HydrophobicContact CE3-CD1 3.28Å; W66-I70 HydrophobicContact CE3-CG1 4.3Å; W66-I70 HydrophobicContact CH2-CD1 3.46Å; W66-I70 VanDerWaalsContact CH2-CD1 3.46Å; W66-I70 HydrophobicContact CH2-CG1 4.3Å; W66-I70 HydrophobicContact CZ2-CD1 4.02Å; W66-I70 HydrophobicContact CZ2-CG1 4.44Å; W66-I70 HydrophobicContact CZ3-CD1 3.07Å; W66-I70 HydrophobicContact CZ3-CG1 4.25Å; W66-I70 WeakPolarHBondContact O-CG1 3.35Å; W66-I70 PolarHBondContact O-N 2.96Å
67	R	74	Confident	72.5	Confident	176 Å²	176	106.1 Å²	106.1	66%	0.664	55%	0.547	S	S	*	.	H	α-helix	trans	-63.6	-38.8	172.6	-77.4	175.7	-178.4	-151.4	1.4	112.5	D63 I64 E65 I70 L71	D63-R67 WeakPolarHBondContact O-CB 3.36Å; D63-R67 VanDerWaalsContact O-CG 3.26Å; D63-R67 WeakPolarHBondContact O-CG 3.47Å; D63-R67 PolarHBondContact O-N 3.27Å; I64-R67 PolarHBondContact O-N 2.92Å; E65-R67 PolarHBondContact O-N 3.38Å; R67-I70 PolarHBondContact O-N 3.42Å; R67-L71 VanDerWaalsContact O-CG 3.3Å; R67-L71 WeakPolarHBondContact O-CG 3.29Å; R67-L71 PolarHBondContact O-N 2.96Å
68	N	70.8	Confident	70.6	Confident	86 Å²	86	105.3 Å²	105.3	46%	0.46	54%	0.543	S	S	.	.	H	α-helix	trans	-66.1	-41.1	175.9	-71.8	-17.7	0	0	0	111.3	I64 E65 W66 I70 L71 E72	I64-N68 PolarHBondContact O-N 2.96Å; E65-N68 PolarHBondContact O-N 3.2Å; W66-N68 VanDerWaalsContact C-N 3.34Å; W66-N68 PolarHBondContact O-N 2.93Å; N68-I70 VanDerWaalsContact C-N 3.34Å; N68-I70 PolarHBondContact O-N 3.05Å; N68-L71 WeakPolarHBondContact O-CB 3.45Å; N68-L71 PolarHBondContact O-N 3.35Å; N68-L71 VanDerWaalsContact O-N 3.13Å; N68-E72 PolarHBondContact O-N 3.31Å
69	L	71	Confident	69.2	Low	94 Å²	94	107.7 Å²	107.7	49%	0.492	55%	0.554	S	S	.	*	H	α-helix	trans	-61.4	-40.8	174.6	-73.3	169.2	0	0	0	112.1	E65 W66 L71 E72 E73	E65-L69 WeakPolarHBondContact O-CG 3.33Å; E65-L69 PolarHBondContact O-N 3.41Å; W66-L69 PolarHBondContact O-N 3.34Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L69-L71 PolarHBondContact O-N 3.03Å; L69-E72 PolarHBondContact O-N 2.96Å; L69-E73 VanDerWaalsContact O-CB 3.26Å; L69-E73 WeakPolarHBondContact O-CB 3.38Å; L69-E73 PolarHBondContact O-N 3.47Å
70	I	71	Confident	67.7	Low	48 Å²	48	104.4 Å²	104.4	25%	0.246	55%	0.551	C	S	.	*	H	α-helix	trans	-64.9	-36.9	173.7	-68.5	164	0	0	0	111.8	W66 R67 N68 E73 N74	W66-I70 HydrophobicContact CD2-CD1 3.87Å; W66-I70 HydrophobicContact CD2-CG1 4.45Å; W66-I70 HydrophobicContact CE3-CD1 3.28Å; W66-I70 HydrophobicContact CE3-CG1 4.3Å; W66-I70 HydrophobicContact CH2-CD1 3.46Å; W66-I70 VanDerWaalsContact CH2-CD1 3.46Å; W66-I70 HydrophobicContact CH2-CG1 4.3Å; W66-I70 HydrophobicContact CZ2-CD1 4.02Å; W66-I70 HydrophobicContact CZ2-CG1 4.44Å; W66-I70 HydrophobicContact CZ3-CD1 3.07Å; W66-I70 HydrophobicContact CZ3-CG1 4.25Å; W66-I70 WeakPolarHBondContact O-CG1 3.35Å; W66-I70 PolarHBondContact O-N 2.96Å; R67-I70 PolarHBondContact O-N 3.42Å; N68-I70 VanDerWaalsContact C-N 3.34Å; N68-I70 PolarHBondContact O-N 3.05Å; I70-E73 PolarHBondContact O-N 3.32Å; I70-N74 VanDerWaalsContact CG2-ND2 3.29Å; I70-N74 WeakPolarHBondContact CG2-ND2 3.39Å; I70-N74 VanDerWaalsContact O-CB 3.3Å; I70-N74 WeakPolarHBondContact O-CB 3.37Å; I70-N74 VanDerWaalsContact O-CG 3.31Å; I70-N74 PolarHBondContact O-N 2.92Å; I70-N74 PolarHBondContact O-ND2 3.4Å
71	L	68.9	Low	66.3	Low	115 Å²	115	110.4 Å²	110.4	60%	0.602	57%	0.568	S	S	*	*	H	α-helix	trans	-66.9	-38.9	176	-71.7	168.9	0	0	0	111.1	R67 N68 L69 A75	R67-L71 VanDerWaalsContact O-CG 3.3Å; R67-L71 WeakPolarHBondContact O-CG 3.29Å; R67-L71 PolarHBondContact O-N 2.96Å; N68-L71 WeakPolarHBondContact O-CB 3.45Å; N68-L71 PolarHBondContact O-N 3.35Å; N68-L71 VanDerWaalsContact O-N 3.13Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L69-L71 PolarHBondContact O-N 3.03Å; L71-A75 VanDerWaalsContact O-CB 3.29Å; L71-A75 WeakPolarHBondContact O-CB 3.44Å; L71-A75 PolarHBondContact O-N 2.88Å
72	E	67.3	Low	65.2	Low	121 Å²	121	112.7 Å²	112.7	57%	0.565	58%	0.577	S	S	*	*	H	α-helix	trans	-67.7	-41.9	173.1	-74.3	-174.6	168.5	0	0	112.3	N68 L69 A75 L76	N68-E72 PolarHBondContact O-N 3.31Å; L69-E72 PolarHBondContact O-N 2.96Å; E72-A75 PolarHBondContact O-N 3.41Å; E72-L76 WeakPolarHBondContact O-CB 3.42Å; E72-L76 PolarHBondContact O-N 3.49Å
73	E	64.7	Low	64.1	Low	121 Å²	121	114.4 Å²	114.4	57%	0.565	58%	0.582	S	S	*	*	H	α-helix	trans	-62.6	-44.5	176.8	-173.9	176.8	-168.9	0	0	111.1	L69 I70 A75 L76 G77	L69-E73 VanDerWaalsContact O-CB 3.26Å; L69-E73 WeakPolarHBondContact O-CB 3.38Å; L69-E73 PolarHBondContact O-N 3.47Å; I70-E73 PolarHBondContact O-N 3.32Å; E73-A75 VanDerWaalsContact C-N 3.32Å; E73-A75 PolarHBondContact O-N 2.86Å; E73-L76 CarbonylContact O-C 3.55Å; E73-L76 PolarHBondContact O-N 2.86Å; E73-G77 PolarHBondContact O-N 3.32Å
74	N	66.4	Low	63.2	Low	123 Å²	123	118.1 Å²	118.1	66%	0.658	59%	0.59	S	S	*	*	H	α-helix	trans	-68.6	-29.3	174.9	-76	-43.4	0	0	0	112.7	I70	I70-N74 VanDerWaalsContact CG2-ND2 3.29Å; I70-N74 WeakPolarHBondContact CG2-ND2 3.39Å; I70-N74 VanDerWaalsContact O-CB 3.3Å; I70-N74 WeakPolarHBondContact O-CB 3.37Å; I70-N74 VanDerWaalsContact O-CG 3.31Å; I70-N74 PolarHBondContact O-N 2.92Å; I70-N74 PolarHBondContact O-ND2 3.4Å
75	A	60.5	Low	62.4	Low	82 Å²	82	116.9 Å²	116.9	68%	0.678	58%	0.583	S	S	*	*	H	α-helix	trans	-75.9	-23.6	175.6	0	0	0	0	0	113.1	L71 E72 E73	L71-A75 VanDerWaalsContact O-CB 3.29Å; L71-A75 WeakPolarHBondContact O-CB 3.44Å; L71-A75 PolarHBondContact O-N 2.88Å; E72-A75 PolarHBondContact O-N 3.41Å; E73-A75 VanDerWaalsContact C-N 3.32Å; E73-A75 PolarHBondContact O-N 2.86Å
76	L	52	Low	61.8	Low	143 Å²	143	112.6 Å²	112.6	75%	0.749	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	19.7	-177.8	-72.5	161.2	0	0	0	112.8	E72 E73 D78	E72-L76 WeakPolarHBondContact O-CB 3.42Å; E72-L76 PolarHBondContact O-N 3.49Å; E73-L76 CarbonylContact O-C 3.55Å; E73-L76 PolarHBondContact O-N 2.86Å; L76-D78 VanDerWaalsContact C-N 3.33Å; L76-D78 PolarHBondContact O-N 2.85Å
77	G	51	Low	61.4	Low	64 Å²	64	108.9 Å²	108.9	66%	0.66	57%	0.565	S	S	*	*			trans	-61.3	81.1	-177.7	0	0	0	0	0	114.7	E73	E73-G77 PolarHBondContact O-N 3.32Å
78	D	47.5	Very low	61	Low	106 Å²	106	107.5 Å²	107.5	57%	0.567	57%	0.566	S	S	*	*			trans	-137.9	95.4	145.5	-166.9	-11	0	0	0	108.4	L76 S80 R81	L76-D78 VanDerWaalsContact C-N 3.33Å; L76-D78 PolarHBondContact O-N 2.85Å; D78-S80 PolarHBondContact O-N 2.8Å; D78-S80 WeakPolarHBondContact OD1-CB 3.39Å; D78-S80 PolarHBondContact OD1-N 3.42Å; D78-S80 PolarHBondContact OD1-OG 3.32Å; D78-S80 PolarHBondContact OD2-OG 3.2Å; D78-R81 PolarHBondContact O-N 2.98Å; D78-R81 VanDerWaalsContact O-N 3.09Å
79	H	56.1	Low	60.6	Low	150 Å²	150	111.8 Å²	111.8	69%	0.694	58%	0.58	S	S	*	*	H	α-helix	trans	-52.5	-22	-179.4	-100.8	-79.9	0	0	0	113.4	R81	H79-R81 PolarHBondContact O-N 3.34Å
80	S	55.5	Low	60.3	Low	59 Å²	59	112.4 Å²	112.4	41%	0.413	58%	0.583	S	S	.	*	H	α-helix	trans	-66.6	-20.4	179.7	68.8	0	0	0	0	113.5	D78 R84	D78-S80 PolarHBondContact O-N 2.8Å; D78-S80 WeakPolarHBondContact OD1-CB 3.39Å; D78-S80 PolarHBondContact OD1-N 3.42Å; D78-S80 PolarHBondContact OD1-OG 3.32Å; D78-S80 PolarHBondContact OD2-OG 3.2Å; S80-R84 WeakPolarHBondContact O-CG 3.27Å
81	R	54.8	Low	59.5	Low	191 Å²	191	118.1 Å²	118.1	72%	0.721	61%	0.609	S	S	*	*	H	α-helix	trans	-87.4	-35.6	-179.2	-155	179	178	-164.5	-0.7	113.4	D78 H79 I85	D78-R81 PolarHBondContact O-N 2.98Å; D78-R81 VanDerWaalsContact O-N 3.09Å; H79-R81 PolarHBondContact O-N 3.34Å; R81-I85 HydrophobicContact CG-CD1 4.26Å; R81-I85 WeakPolarHBondContact O-CD1 3.26Å; R81-I85 VanDerWaalsContact O-CG1 3.28Å; R81-I85 WeakPolarHBondContact O-CG1 3.32Å; R81-I85 PolarHBondContact O-N 3.46Å
82	V	58.6	Low	58.7	Low	104 Å²	104	118.4 Å²	118.4	63%	0.63	61%	0.609	S	S	*	*	H	α-helix	trans	-67.8	-43.7	-179.7	178.2	0	0	0	0	110.7	I85 A86	V82-I85 PolarHBondContact O-N 3.36Å; V82-A86 PolarHBondContact O-N 3.07Å
83	E	57.5	Low	58.2	Low	145 Å²	145	121 Å²	121	68%	0.678	62%	0.621	S	S	*	*	H	α-helix	trans	-66.5	-38.9	179.3	-134	172.9	-166.1	0	0	111.8	A86 T87	E83-A86 PolarHBondContact O-N 2.66Å; E83-T87 PolarHBondContact O-N 2.95Å; E83-T87 PolarHBondContact O-OG1 3.03Å
84	R	57.8	Low	57.6	Low	158 Å²	158	124.7 Å²	124.7	60%	0.596	64%	0.638	S	S	*	*	H	α-helix	trans	-63.4	-41.5	171.9	-82.2	-170.6	-163.9	-166.7	5.3	112.8	S80 E88	S80-R84 WeakPolarHBondContact O-CG 3.27Å; R84-E88 VanDerWaalsContact O-CB 3.25Å; R84-E88 WeakPolarHBondContact O-CB 3.26Å; R84-E88 PolarHBondContact O-N 3.23Å
85	I	61.8	Low	56.8	Low	80 Å²	80	125 Å²	125	41%	0.41	64%	0.644	S	S	.	*	I	π-helix	trans	-65.6	-40.4	178.1	-69	164	0	0	0	110.8	R81 V82 K89 L90	R81-I85 HydrophobicContact CG-CD1 4.26Å; R81-I85 WeakPolarHBondContact O-CD1 3.26Å; R81-I85 VanDerWaalsContact O-CG1 3.28Å; R81-I85 WeakPolarHBondContact O-CG1 3.32Å; R81-I85 PolarHBondContact O-N 3.46Å; V82-I85 PolarHBondContact O-N 3.36Å; I85-K89 HydrophobicContact CG2-CB 4.29Å; I85-K89 HydrophobicContact CG2-CD 4.42Å; I85-K89 WeakPolarHBondContact O-CA 3.48Å; I85-K89 WeakPolarHBondContact O-CB 3.41Å; I85-K89 PolarHBondContact O-N 3.46Å; I85-L90 PolarHBondContact O-N 2.92Å
86	A	60.6	Low	56.1	Low	32 Å²	32	127 Å²	127	26%	0.264	64%	0.643	S	S	.	*	I	π-helix	trans	-67.7	-38.6	179.6	0	0	0	0	0	113.2	V82 E83 M92	V82-A86 PolarHBondContact O-N 3.07Å; E83-A86 PolarHBondContact O-N 2.66Å; A86-M92 PolarHBondContact O-N 3.22Å
87	T	62.2	Low	56.1	Low	89 Å²	89	126.1 Å²	126.1	55%	0.546	65%	0.646	S	S	.	*	I	π-helix	trans	-84.2	-43.3	179	38.5	0	0	0	0	113.8	E83	E83-T87 PolarHBondContact O-N 2.95Å; E83-T87 PolarHBondContact O-OG1 3.03Å
88	E	64.2	Low	55.8	Low	146 Å²	146	127.6 Å²	127.6	68%	0.682	65%	0.646	S	S	*	*	I	π-helix	trans	-83.6	-39.9	-176	-65.8	179.8	165.5	0	0	113.3	R84	R84-E88 VanDerWaalsContact O-CB 3.25Å; R84-E88 WeakPolarHBondContact O-CB 3.26Å; R84-E88 PolarHBondContact O-N 3.23Å
89	K	63	Low	55.4	Low	176 Å²	176	131 Å²	131	77%	0.765	66%	0.659	S	S	*	*	I	π-helix	trans	-92.8	-34.4	-173.1	-113.7	-175.5	-176	-173.6	0	113.4	I85	I85-K89 HydrophobicContact CG2-CB 4.29Å; I85-K89 HydrophobicContact CG2-CD 4.42Å; I85-K89 WeakPolarHBondContact O-CA 3.48Å; I85-K89 WeakPolarHBondContact O-CB 3.41Å; I85-K89 PolarHBondContact O-N 3.46Å
90	L	65.6	Low	54.7	Low	107 Å²	107	133.1 Å²	133.1	56%	0.56	67%	0.669	S	S	*	*	S	Bend	trans	-104.7	-2.3	-175	-64.5	169.9	0	0	0	113.3	I85 M92	I85-L90 PolarHBondContact O-N 2.92Å; L90-M92 HydrophobicContact CB-CE 4.09Å; L90-M92 HydrophobicContact CB-CG 3.95Å; L90-M92 HydrophobicContact CB-SD 4.4Å; L90-M92 HydrophobicContact CD1-CE 3.78Å; L90-M92 HydrophobicContact CD1-SD 4.5Å; L90-M92 HydrophobicContact CG-CE 4.46Å; L90-M92 PolarHBondContact O-N 3.21Å
91	Q	54.1	Low	53.8	Low	168 Å²	168	137.4 Å²	137.4	79%	0.785	69%	0.687	S	S	*	*			trans	44	37	-177.4	-67.9	-171.8	-22.3	0	0	112.9	Q93	Q91-Q93 PolarHBondContact O-N 3.47Å; Q91-Q93 VanDerWaalsContact O-N 3.07Å
92	M	51.4	Low	53.1	Low	121 Å²	121	136 Å²	136	60%	0.596	69%	0.692	S	S	*	*			trans	-71.3	107.9	179.9	-73.1	-177.7	179	0	0	109.1	A86 L90	A86-M92 PolarHBondContact O-N 3.22Å; L90-M92 HydrophobicContact CB-CE 4.09Å; L90-M92 HydrophobicContact CB-CG 3.95Å; L90-M92 HydrophobicContact CB-SD 4.4Å; L90-M92 HydrophobicContact CD1-CE 3.78Å; L90-M92 HydrophobicContact CD1-SD 4.5Å; L90-M92 HydrophobicContact CG-CE 4.46Å; L90-M92 PolarHBondContact O-N 3.21Å
93	Q	56.9	Low	52.1	Low	177 Å²	177	140.1 Å²	140.1	83%	0.827	70%	0.702	S	S	*	*			trans	-80.6	137	169.3	-78.2	-179.3	-23.8	0	0	109.9	Q91 V95	Q91-Q93 PolarHBondContact O-N 3.47Å; Q91-Q93 VanDerWaalsContact O-N 3.07Å; Q93-V95 PolarHBondContact O-N 3.24Å; Q93-V95 VanDerWaalsContact O-N 3.12Å
94	H	51.4	Low	51.3	Low	197 Å²	197	138.4 Å²	138.4	91%	0.912	70%	0.703	S	S	*	*			trans	-58.3	115.3	170.2	-109.5	-61.9	0	0	0	109.2	D96	H94-D96 PolarHBondContact O-N 2.88Å
95	V	50.9	Low	50.3	Low	131 Å²	131	141.2 Å²	141.2	79%	0.794	72%	0.72	S	S	*	*			trans	-70.6	114.7	175.7	179.6	0	0	0	0	108.3	Q93	Q93-V95 PolarHBondContact O-N 3.24Å; Q93-V95 VanDerWaalsContact O-N 3.12Å
96	D	45.1	Very low	49.3	Very low	124 Å²	124	148.3 Å²	148.3	66%	0.663	74%	0.742	S	S	*	*			trans	-71.9	125.4	175.5	-158.6	-7.6	0	0	0	109.3	H94 S98	H94-D96 PolarHBondContact O-N 2.88Å; D96-S98 PolarHBondContact O-N 2.86Å
97	P	51.6	Low	48.3	Very low	124 Å²	124	155.5 Å²	155.5	81%	0.805	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	5.7	-165.2	-19.1	31.4	0	0	0	116.5
98	S	45.5	Very low	47.3	Very low	95 Å²	95	159 Å²	159	66%	0.664	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	8.5	-174.4	62.6	0	0	0	0	115.5	D96	D96-S98 PolarHBondContact O-N 2.86Å
99	Q	38.4	Very low	46.2	Very low	178 Å²	178	160.5 Å²	160.5	83%	0.832	79%	0.787	S	S	*	*			trans	-127	75.9	175.6	-69.3	-162.8	-5.6	0	0	113.1
100	E	41.4	Very low	45.1	Very low	194 Å²	194	159.2 Å²	159.2	91%	0.907	78%	0.783	S	S	*	*			trans	-152.3	75.4	147.1	-116.6	179.8	-163	0	0	109.9
101	N	36.8	Very low	44.3	Very low	149 Å²	149	157.9 Å²	157.9	80%	0.797	79%	0.787	S	S	*	*			trans	-105.4	79.1	171.1	-111.5	-26.9	0	0	0	108.6
102	I	39.7	Very low	44	Very low	160 Å²	160	156.9 Å²	156.9	82%	0.821	79%	0.787	S	S	*	*			trans	-135.5	86.2	159	-54.3	-179.3	0	0	0	108	P104	I102-P104 WeakPolarHBondContact O-CD 3.43Å
103	K	38.7	Very low	43.9	Very low	191 Å²	191	157.7 Å²	157.7	83%	0.83	79%	0.788	S	S	*	*			trans	-76.4	119	165.8	-77.1	-179	177	176.3	0	108.7
104	P	41	Very low	44.3	Very low	110 Å²	110	152.4 Å²	152.4	71%	0.714	77%	0.765	S	S	*	*			trans	-73.7	141.9	172.6	29.3	-31	0	0	0	110	I102 R106	I102-P104 WeakPolarHBondContact O-CD 3.43Å; P104-R106 PolarHBondContact O-N 2.84Å
105	K	36.4	Very low	45.4	Very low	216 Å²	216	147.1 Å²	147.1	94%	0.939	75%	0.75	S	S	*	*			trans	-56.1	98.1	167.2	-96	179	170.8	176.9	0	108.9	Q107	K105-Q107 PolarHBondContact O-N 2.85Å
106	R	40.3	Very low	46.9	Very low	230 Å²	230	148.4 Å²	148.4	87%	0.868	74%	0.741	S	S	*	*			trans	-69.1	120.9	163.1	-102.8	-178.2	-178.9	-174.9	0.4	107.3	P104 E108	P104-R106 PolarHBondContact O-N 2.84Å; R106-E108 PolarHBondContact O-N 3.2Å
107	Q	39.1	Very low	48.6	Very low	182 Å²	182	149.9 Å²	149.9	85%	0.85	74%	0.737	S	S	*	*			trans	-58.9	119.2	162.5	-77.1	173.1	-46.6	0	0	107.5	K105 E109	K105-Q107 PolarHBondContact O-N 2.85Å; Q107-E109 PolarHBondContact O-N 3.41Å
108	E	41.4	Very low	50.1	Low	162 Å²	162	149 Å²	149	76%	0.757	72%	0.72	S	S	*	*			trans	-69.6	85.2	172.7	-68.1	-179.4	162.8	0	0	108	R106 H110	R106-E108 PolarHBondContact O-N 3.2Å; E108-H110 VanDerWaalsContact C-N 3.25Å; E108-H110 PolarHBondContact O-N 2.95Å; E108-H110 IonicContact OE2-NE2 4Å
109	E	42.5	Very low	52	Low	178 Å²	178	147.2 Å²	147.2	83%	0.832	71%	0.712	S	S	*	*			trans	-66.4	96.7	157.5	-74.1	-171.5	166.4	0	0	106.7	Q107 A111	Q107-E109 PolarHBondContact O-N 3.41Å; E109-A111 PolarHBondContact O-N 2.97Å
110	H	39	Very low	54.5	Low	149 Å²	149	143.4 Å²	143.4	69%	0.69	70%	0.697	S	S	*	*			trans	-63.1	74.7	159.3	-68.6	-72.7	0	0	0	108	E108 N112	E108-H110 VanDerWaalsContact C-N 3.25Å; E108-H110 PolarHBondContact O-N 2.95Å; E108-H110 IonicContact OE2-NE2 4Å; H110-N112 VanDerWaalsContact C-N 3.31Å; H110-N112 PolarHBondContact O-N 3.46Å
111	A	48.4	Very low	56.7	Low	79 Å²	79	139 Å²	139	65%	0.653	68%	0.679	S	S	*	*			trans	-57.9	105.8	159.5	0	0	0	0	0	105	E109 F113	E109-A111 PolarHBondContact O-N 2.97Å; A111-F113 PolarHBondContact O-N 3.39Å
112	N	48	Very low	59.3	Low	147 Å²	147	133.9 Å²	133.9	79%	0.786	65%	0.654	S	S	*	*			trans	-61.2	80.4	171.6	-83.2	-37	0	0	0	107.7	H110 I114	H110-N112 VanDerWaalsContact C-N 3.31Å; H110-N112 PolarHBondContact O-N 3.46Å; N112-I114 PolarHBondContact O-N 2.94Å
113	F	50.4	Low	61.8	Low	138 Å²	138	127.7 Å²	127.7	61%	0.605	63%	0.63	S	S	*	*			trans	-72.5	86.6	173.8	-163.9	-93.9	0	0	0	105.8	A111 S115 F118	A111-F113 PolarHBondContact O-N 3.39Å; F113-S115 PolarHBondContact O-N 2.92Å; F113-F118 HydrophobicContact CE1-CB 3.9Å; F113-F118 AromaticContact CE1-CD1 3.91Å; F113-F118 HydrophobicContact CE1-CD1 3.91Å; F113-F118 AromaticContact CE1-CG 3.87Å; F113-F118 HydrophobicContact CE1-CG 3.87Å; F113-F118 HydrophobicContact CE2-CD2 4.27Å; F113-F118 HydrophobicContact CE2-CG 4.36Å; F113-F118 HydrophobicContact CZ-CB 3.83Å; F113-F118 AromaticContact CZ-CD1 3.69Å; F113-F118 HydrophobicContact CZ-CD1 3.69Å; F113-F118 AromaticContact CZ-CD2 3.69Å; F113-F118 HydrophobicContact CZ-CD2 3.69Å; F113-F118 HydrophobicContact CZ-CE1 4.14Å; F113-F118 HydrophobicContact CZ-CE2 4.14Å; F113-F118 AromaticContact CZ-CG 3.44Å; F113-F118 HydrophobicContact CZ-CG 3.44Å; F113-F118 VanDerWaalsContact CZ-CG 3.44Å; F113-F118 HydrophobicContact CZ-CZ 4.35Å
114	I	64	Low	64.4	Low	66 Å²	66	122.1 Å²	122.1	34%	0.338	61%	0.614	S	S	.	*			trans	-68.3	89.4	177	-62.3	166.3	0	0	0	106.5	N112 W116 R117 F118	N112-I114 PolarHBondContact O-N 2.94Å; I114-W116 HydrophobicContact CG2-CG 4.1Å; I114-W116 PolarHBondContact O-N 2.98Å; I114-W116 VanDerWaalsContact O-N 3.09Å; I114-R117 HydrophobicContact CB-CB 4.29Å; I114-R117 HydrophobicContact CB-CG 4.24Å; I114-R117 HydrophobicContact CG2-CB 4.04Å; I114-R117 HydrophobicContact CG2-CG 3.66Å; I114-R117 PolarHBondContact O-N 3.34Å; I114-F118 PolarHBondContact O-N 3.29Å
115	S	74	Confident	66.9	Low	86 Å²	86	121 Å²	121	60%	0.601	60%	0.601	S	S	*	*	H	α-helix	trans	-51.9	-34.7	-172	49.3	0	0	0	0	113.2	F113 A119	F113-S115 PolarHBondContact O-N 2.92Å; S115-A119 VanDerWaalsContact O-CB 3.31Å; S115-A119 WeakPolarHBondContact O-CB 3.23Å; S115-A119 PolarHBondContact O-N 3.46Å
116	W	83.2	Confident	69.7	Low	159 Å²	159	116.4 Å²	116.4	60%	0.602	59%	0.586	S	S	*	*	H	α-helix	trans	-71.8	-34	177.4	86.9	-93.9	0	0	0	113.5	I114 A119 L120	I114-W116 HydrophobicContact CG2-CG 4.1Å; I114-W116 PolarHBondContact O-N 2.98Å; I114-W116 VanDerWaalsContact O-N 3.09Å; W116-A119 PolarHBondContact O-N 3.06Å; W116-L120 HydrophobicContact CE3-CB 4.47Å; W116-L120 HydrophobicContact CE3-CD1 4.35Å; W116-L120 HydrophobicContact CZ3-CD1 3.85Å; W116-L120 VanDerWaalsContact O-CB 3.22Å; W116-L120 WeakPolarHBondContact O-CB 3.33Å; W116-L120 PolarHBondContact O-N 2.65Å
117	R	81.6	Confident	72.3	Confident	154 Å²	154	111.6 Å²	111.6	58%	0.581	58%	0.577	S	S	*	*	H	α-helix	trans	-69.1	-40.9	175.8	-74.5	-179.3	179.9	177.1	-0.3	110.7	I114 L120 L121	I114-R117 HydrophobicContact CB-CB 4.29Å; I114-R117 HydrophobicContact CB-CG 4.24Å; I114-R117 HydrophobicContact CG2-CB 4.04Å; I114-R117 HydrophobicContact CG2-CG 3.66Å; I114-R117 PolarHBondContact O-N 3.34Å; R117-L120 PolarHBondContact O-N 2.93Å; R117-L121 WeakPolarHBondContact O-CB 3.37Å; R117-L121 PolarHBondContact O-N 3.07Å
118	F	81.4	Confident	74.9	Confident	105 Å²	105	105.4 Å²	105.4	46%	0.461	56%	0.557	S	S	.	*	H	α-helix	trans	-64.4	-46.4	173.6	-179.4	-102.1	0	0	0	111.3	F113 I114 L120 L121 C122	F113-F118 HydrophobicContact CE1-CB 3.9Å; F113-F118 AromaticContact CE1-CD1 3.91Å; F113-F118 HydrophobicContact CE1-CD1 3.91Å; F113-F118 AromaticContact CE1-CG 3.87Å; F113-F118 HydrophobicContact CE1-CG 3.87Å; F113-F118 HydrophobicContact CE2-CD2 4.27Å; F113-F118 HydrophobicContact CE2-CG 4.36Å; F113-F118 HydrophobicContact CZ-CB 3.83Å; F113-F118 AromaticContact CZ-CD1 3.69Å; F113-F118 HydrophobicContact CZ-CD1 3.69Å; F113-F118 AromaticContact CZ-CD2 3.69Å; F113-F118 HydrophobicContact CZ-CD2 3.69Å; F113-F118 HydrophobicContact CZ-CE1 4.14Å; F113-F118 HydrophobicContact CZ-CE2 4.14Å; F113-F118 AromaticContact CZ-CG 3.44Å; F113-F118 HydrophobicContact CZ-CG 3.44Å; F113-F118 VanDerWaalsContact CZ-CG 3.44Å; F113-F118 HydrophobicContact CZ-CZ 4.35Å; I114-F118 PolarHBondContact O-N 3.29Å; F118-L120 VanDerWaalsContact C-N 3.33Å; F118-L120 PolarHBondContact O-N 3.04Å; F118-L121 WeakPolarHBondContact O-CB 3.41Å; F118-L121 PolarHBondContact O-N 3.14Å; F118-C122 VanDerWaalsContact CZ-SG 3.58Å; F118-C122 WeakPolarHBondContact O-CB 3.42Å; F118-C122 PolarHBondContact O-N 2.86Å; F118-C122 PolarHBondContact O-SG 3.34Å; F118-C122 VanDerWaalsContact O-SG 3.37Å
119	A	85.5	Confident	77.5	Confident	59 Å²	59	102.1 Å²	102.1	49%	0.488	54%	0.544	S	S	.	.	H	α-helix	trans	-61.8	-39.5	175.9	0	0	0	0	0	112.5	S115 W116 C122 G123	S115-A119 VanDerWaalsContact O-CB 3.31Å; S115-A119 WeakPolarHBondContact O-CB 3.23Å; S115-A119 PolarHBondContact O-N 3.46Å; W116-A119 PolarHBondContact O-N 3.06Å; A119-C122 PolarHBondContact O-N 2.96Å; A119-G123 PolarHBondContact O-N 3.4Å
120	L	90.7	Very high	80	Confident	98 Å²	98	96.5 Å²	96.5	51%	0.513	53%	0.528	S	S	.	.	H	α-helix	trans	-64.7	-45.1	174.5	-177.6	138.5	0	0	0	111.4	W116 R117 F118 G123 C124	W116-L120 HydrophobicContact CE3-CB 4.47Å; W116-L120 HydrophobicContact CE3-CD1 4.35Å; W116-L120 HydrophobicContact CZ3-CD1 3.85Å; W116-L120 VanDerWaalsContact O-CB 3.22Å; W116-L120 WeakPolarHBondContact O-CB 3.33Å; W116-L120 PolarHBondContact O-N 2.65Å; R117-L120 PolarHBondContact O-N 2.93Å; F118-L120 VanDerWaalsContact C-N 3.33Å; F118-L120 PolarHBondContact O-N 3.04Å; L120-G123 PolarHBondContact O-N 3.47Å; L120-C124 WeakPolarHBondContact O-CB 3.36Å; L120-C124 PolarHBondContact O-N 3.3Å; L120-C124 PolarHBondContact O-SG 3.26Å
121	L	89.3	Confident	82.7	Confident	100 Å²	100	96.5 Å²	96.5	52%	0.524	53%	0.527	S	S	.	.	H	α-helix	trans	-58.1	-50.6	174.1	-174.3	92.7	0	0	0	111	R117 F118 G123 C124 I125	R117-L121 WeakPolarHBondContact O-CB 3.37Å; R117-L121 PolarHBondContact O-N 3.07Å; F118-L121 WeakPolarHBondContact O-CB 3.41Å; F118-L121 PolarHBondContact O-N 3.14Å; L121-G123 VanDerWaalsContact C-N 3.31Å; L121-G123 PolarHBondContact O-N 2.86Å; L121-C124 PolarHBondContact O-N 2.85Å; L121-I125 HydrophobicContact CD2-CD1 4.12Å; L121-I125 HydrophobicContact CG-CD1 3.99Å; L121-I125 VanDerWaalsContact O-CG1 3.29Å; L121-I125 WeakPolarHBondContact O-CG1 3.35Å; L121-I125 PolarHBondContact O-N 2.9Å
122	C	90.3	Very high	84.9	Confident	43 Å²	43	97.6 Å²	97.6	29%	0.291	52%	0.521	S	S	.	.	H	α-helix	trans	-59.5	-41.5	176.4	-71.8	0	0	0	0	111.9	F118 A119 I125 L126	F118-C122 VanDerWaalsContact CZ-SG 3.58Å; F118-C122 WeakPolarHBondContact O-CB 3.42Å; F118-C122 PolarHBondContact O-N 2.86Å; F118-C122 PolarHBondContact O-SG 3.34Å; F118-C122 VanDerWaalsContact O-SG 3.37Å; A119-C122 PolarHBondContact O-N 2.96Å; C122-I125 PolarHBondContact O-N 2.88Å; C122-L126 WeakPolarHBondContact O-CB 3.28Å; C122-L126 WeakPolarHBondContact O-CG 3.34Å; C122-L126 PolarHBondContact O-N 2.97Å
123	G	93.1	Very high	87.2	Confident	30 Å²	30	96.5 Å²	96.5	31%	0.309	51%	0.514	S	S	.	.	H	α-helix	trans	-61.6	-45	174.6	0	0	0	0	0	112.3	A119 L120 L121 L126 L127	A119-G123 PolarHBondContact O-N 3.4Å; L120-G123 PolarHBondContact O-N 3.47Å; L121-G123 VanDerWaalsContact C-N 3.31Å; L121-G123 PolarHBondContact O-N 2.86Å; G123-L126 PolarHBondContact O-N 3.13Å; G123-L127 WeakPolarHBondContact O-CB 3.38Å; G123-L127 PolarHBondContact O-N 3.41Å
124	C	93.4	Very high	89.3	Confident	73 Å²	73	91.9 Å²	91.9	49%	0.493	51%	0.506	S	S	.	.	H	α-helix	trans	-62.2	-42.2	174.2	-70.5	0	0	0	0	112.1	L120 L121 L127 A128	L120-C124 WeakPolarHBondContact O-CB 3.36Å; L120-C124 PolarHBondContact O-N 3.3Å; L120-C124 PolarHBondContact O-SG 3.26Å; L121-C124 PolarHBondContact O-N 2.85Å; C124-L127 PolarHBondContact O-N 3.12Å; C124-A128 WeakPolarHBondContact O-CB 3.35Å; C124-A128 PolarHBondContact O-N 2.77Å
125	I	93.4	Very high	90.7	Very high	87 Å²	87	94.9 Å²	94.9	45%	0.446	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-46.4	175.9	-68.5	166	0	0	0	110.4	L121 C122 L127 A128 L129	L121-I125 HydrophobicContact CD2-CD1 4.12Å; L121-I125 HydrophobicContact CG-CD1 3.99Å; L121-I125 VanDerWaalsContact O-CG1 3.29Å; L121-I125 WeakPolarHBondContact O-CG1 3.35Å; L121-I125 PolarHBondContact O-N 2.9Å; C122-I125 PolarHBondContact O-N 2.88Å; I125-L127 PolarHBondContact O-N 3.21Å; I125-A128 PolarHBondContact O-N 2.74Å; I125-L129 HydrophobicContact CG2-CD1 3.99Å; I125-L129 HydrophobicContact CG2-CG 4.48Å; I125-L129 WeakPolarHBondContact O-CB 3.42Å; I125-L129 WeakPolarHBondContact O-CG 3.37Å; I125-L129 PolarHBondContact O-N 3.43Å
126	L	94.4	Very high	91.6	Very high	119 Å²	119	94.6 Å²	94.6	62%	0.623	51%	0.508	S	S	*	.	H	α-helix	trans	-60.6	-43.1	176.3	-85.1	162.4	0	0	0	111.9	C122 G123 L129 A130	C122-L126 WeakPolarHBondContact O-CB 3.28Å; C122-L126 WeakPolarHBondContact O-CG 3.34Å; C122-L126 PolarHBondContact O-N 2.97Å; G123-L126 PolarHBondContact O-N 3.13Å; L126-L129 PolarHBondContact O-N 3.45Å; L126-A130 VanDerWaalsContact O-CB 3.3Å; L126-A130 WeakPolarHBondContact O-CB 3.44Å; L126-A130 PolarHBondContact O-N 2.94Å
127	L	94.5	Very high	92	Very high	129 Å²	129	89.3 Å²	89.3	68%	0.675	50%	0.498	S	S	*	.	H	α-helix	trans	-62.3	-43.7	175	-110.5	151.6	0	0	0	112.1	G123 C124 I125 A130 F131	G123-L127 WeakPolarHBondContact O-CB 3.38Å; G123-L127 PolarHBondContact O-N 3.41Å; C124-L127 PolarHBondContact O-N 3.12Å; I125-L127 PolarHBondContact O-N 3.21Å; L127-A130 PolarHBondContact O-N 2.78Å; L127-F131 WeakPolarHBondContact O-CB 3.41Å; L127-F131 PolarHBondContact O-N 2.93Å
128	A	94.8	Very high	92.5	Very high	53 Å²	53	87.8 Å²	87.8	44%	0.438	49%	0.493	S	S	.	.	H	α-helix	trans	-63.8	-42.9	176.6	0	0	0	0	0	111.8	C124 I125 F131 L132	C124-A128 WeakPolarHBondContact O-CB 3.35Å; C124-A128 PolarHBondContact O-N 2.77Å; I125-A128 PolarHBondContact O-N 2.74Å; A128-F131 PolarHBondContact O-N 3.1Å; A128-L132 WeakPolarHBondContact O-CG 3.37Å; A128-L132 PolarHBondContact O-N 2.87Å
129	L	95.5	Very high	93	Very high	92 Å²	92	85.3 Å²	85.3	48%	0.482	48%	0.484	S	S	.	.	H	α-helix	trans	-63.5	-44.2	174.5	-73.5	170.1	0	0	0	111.8	I125 L126 F131 L132 L133	I125-L129 HydrophobicContact CG2-CD1 3.99Å; I125-L129 HydrophobicContact CG2-CG 4.48Å; I125-L129 WeakPolarHBondContact O-CB 3.42Å; I125-L129 WeakPolarHBondContact O-CG 3.37Å; I125-L129 PolarHBondContact O-N 3.43Å; L126-L129 PolarHBondContact O-N 3.45Å; L129-F131 VanDerWaalsContact C-N 3.31Å; L129-F131 PolarHBondContact O-N 2.91Å; L129-L132 PolarHBondContact O-N 2.76Å; L129-L133 WeakPolarHBondContact O-CB 3.35Å; L129-L133 WeakPolarHBondContact O-CG 3.5Å; L129-L133 PolarHBondContact O-N 3.48Å
130	A	94.9	Very high	93.2	Very high	60 Å²	60	89.4 Å²	89.4	50%	0.496	49%	0.493	S	S	.	.	H	α-helix	trans	-61.9	-39.8	176.5	0	0	0	0	0	111.5	L126 L127 G134	L126-A130 VanDerWaalsContact O-CB 3.3Å; L126-A130 WeakPolarHBondContact O-CB 3.44Å; L126-A130 PolarHBondContact O-N 2.94Å; L127-A130 PolarHBondContact O-N 2.78Å; A130-G134 PolarHBondContact O-N 2.95Å
131	F	96.3	Very high	93.2	Very high	149 Å²	149	90.2 Å²	90.2	65%	0.654	50%	0.501	S	S	*	.	H	α-helix	trans	-64.2	-45	173.8	177.1	-97.1	0	0	0	112.3	L127 A128 L129 G134 R135	L127-F131 WeakPolarHBondContact O-CB 3.41Å; L127-F131 PolarHBondContact O-N 2.93Å; A128-F131 PolarHBondContact O-N 3.1Å; L129-F131 VanDerWaalsContact C-N 3.31Å; L129-F131 PolarHBondContact O-N 2.91Å; F131-G134 PolarHBondContact O-N 3.33Å; F131-R135 WeakPolarHBondContact O-CB 3.34Å; F131-R135 PolarHBondContact O-N 2.88Å
132	L	95	Very high	93	Very high	102 Å²	102	90.2 Å²	90.2	53%	0.534	50%	0.501	S	S	.	.	H	α-helix	trans	-61.8	-44.8	176.3	-72.9	172.7	0	0	0	111.5	A128 L129 R135 V136	A128-L132 WeakPolarHBondContact O-CG 3.37Å; A128-L132 PolarHBondContact O-N 2.87Å; L129-L132 PolarHBondContact O-N 2.76Å; L132-R135 PolarHBondContact O-N 3.33Å; L132-V136 WeakPolarHBondContact O-CG2 3.31Å; L132-V136 PolarHBondContact O-N 3.05Å
133	L	95.3	Very high	92.9	Very high	124 Å²	124	90.6 Å²	90.6	65%	0.649	50%	0.504	S	S	*	.	H	α-helix	trans	-60.9	-45.2	174.7	-75.2	168.8	0	0	0	111.5	L129 R135 V136 A137	L129-L133 WeakPolarHBondContact O-CB 3.35Å; L129-L133 WeakPolarHBondContact O-CG 3.5Å; L129-L133 PolarHBondContact O-N 3.48Å; L133-R135 VanDerWaalsContact C-N 3.3Å; L133-R135 PolarHBondContact O-N 3.42Å; L133-V136 PolarHBondContact O-N 3.31Å; L133-A137 WeakPolarHBondContact O-CB 3.41Å; L133-A137 PolarHBondContact O-N 2.91Å
134	G	95.1	Very high	92.7	Very high	42 Å²	42	91 Å²	91	43%	0.433	50%	0.501	S	S	.	.	H	α-helix	trans	-60.3	-39	174.1	0	0	0	0	0	112.4	A130 F131 A137 W138	A130-G134 PolarHBondContact O-N 2.95Å; F131-G134 PolarHBondContact O-N 3.33Å; G134-A137 PolarHBondContact O-N 3.35Å; G134-W138 WeakPolarHBondContact O-CB 3.48Å; G134-W138 PolarHBondContact O-N 3.49Å
135	R	93.7	Very high	92.3	Very high	128 Å²	128	93.6 Å²	93.6	48%	0.483	51%	0.51	S	S	.	.	H	α-helix	trans	-69.4	-40.8	177	-175.4	58.5	178.7	175.7	1.7	112.3	F131 L132 L133 W138 L139	F131-R135 WeakPolarHBondContact O-CB 3.34Å; F131-R135 PolarHBondContact O-N 2.88Å; L132-R135 PolarHBondContact O-N 3.33Å; L133-R135 VanDerWaalsContact C-N 3.3Å; L133-R135 PolarHBondContact O-N 3.42Å; R135-W138 PolarHBondContact O-N 3.35Å; R135-L139 HydrophobicContact CG-CD1 4.27Å; R135-L139 WeakPolarHBondContact O-CB 3.29Å; R135-L139 WeakPolarHBondContact O-CG 3.23Å; R135-L139 PolarHBondContact O-N 2.88Å
136	V	92.5	Very high	92	Very high	80 Å²	80	95.7 Å²	95.7	49%	0.485	52%	0.52	S	S	.	.	H	α-helix	trans	-63.1	-46.6	173.8	170.4	0	0	0	0	110.1	L132 L133 W138 L139 Q140	L132-V136 WeakPolarHBondContact O-CG2 3.31Å; L132-V136 PolarHBondContact O-N 3.05Å; L133-V136 PolarHBondContact O-N 3.31Å; V136-W138 VanDerWaalsContact C-N 3.33Å; V136-W138 PolarHBondContact O-N 3Å; V136-L139 PolarHBondContact O-N 2.95Å; V136-Q140 VanDerWaalsContact O-CB 3.26Å; V136-Q140 WeakPolarHBondContact O-CB 3.46Å; V136-Q140 PolarHBondContact O-N 2.75Å
137	A	92.4	Very high	91.6	Very high	49 Å²	49	94.3 Å²	94.3	41%	0.405	51%	0.512	S	S	.	.	H	α-helix	trans	-59.9	-41.9	175.6	0	0	0	0	0	111.9	L133 G134 Q140 V141	L133-A137 WeakPolarHBondContact O-CB 3.41Å; L133-A137 PolarHBondContact O-N 2.91Å; G134-A137 PolarHBondContact O-N 3.35Å; A137-Q140 PolarHBondContact O-N 3.03Å; A137-V141 VanDerWaalsContact O-CB 3.29Å; A137-V141 WeakPolarHBondContact O-CB 3.39Å; A137-V141 WeakPolarHBondContact O-CG2 3.26Å; A137-V141 PolarHBondContact O-N 2.91Å
138	W	91.9	Very high	91.2	Very high	122 Å²	122	91.9 Å²	91.9	46%	0.462	50%	0.503	S	S	.	.	I	π-helix	trans	-59.7	-48.9	173.7	-178.2	-77.6	0	0	0	112	G134 R135 V136 Q140 I142 S143	G134-W138 WeakPolarHBondContact O-CB 3.48Å; G134-W138 PolarHBondContact O-N 3.49Å; R135-W138 PolarHBondContact O-N 3.35Å; V136-W138 VanDerWaalsContact C-N 3.33Å; V136-W138 PolarHBondContact O-N 3Å; W138-Q140 VanDerWaalsContact C-N 3.32Å; W138-Q140 PolarHBondContact O-N 3.43Å; W138-I142 HydrophobicContact CD2-CB 4.02Å; W138-I142 HydrophobicContact CD2-CD1 3.85Å; W138-I142 HydrophobicContact CD2-CG2 4.03Å; W138-I142 HydrophobicContact CE3-CB 4.24Å; W138-I142 HydrophobicContact CE3-CD1 3.22Å; W138-I142 HydrophobicContact CE3-CG1 4.3Å; W138-I142 HydrophobicContact CE3-CG2 4.16Å; W138-I142 HydrophobicContact CG-CB 4.36Å; W138-I142 HydrophobicContact CG-CD1 4.48Å; W138-I142 HydrophobicContact CH2-CD1 4.34Å; W138-I142 HydrophobicContact CH2-CG2 3.72Å; W138-I142 HydrophobicContact CZ2-CB 4.47Å; W138-I142 HydrophobicContact CZ2-CG2 3.59Å; W138-I142 HydrophobicContact CZ3-CD1 3.51Å; W138-I142 HydrophobicContact CZ3-CG2 4.01Å; W138-I142 WeakPolarHBondContact O-CA 3.38Å; W138-I142 WeakPolarHBondContact O-CB 3.42Å; W138-I142 PolarHBondContact O-N 2.93Å; W138-S143 PolarHBondContact NE1-OG 3.28Å; W138-S143 PolarHBondContact O-N 2.86Å
139	L	90.5	Very high	90.9	Very high	52 Å²	52	96.1 Å²	96.1	27%	0.272	51%	0.511	S	S	.	.	I	π-helix	trans	-66.1	-34.4	-179.8	-73.7	171.3	0	0	0	112.6	R135 V136 S143 P144 L147	R135-L139 HydrophobicContact CG-CD1 4.27Å; R135-L139 WeakPolarHBondContact O-CB 3.29Å; R135-L139 WeakPolarHBondContact O-CG 3.23Å; R135-L139 PolarHBondContact O-N 2.88Å; V136-L139 PolarHBondContact O-N 2.95Å; L139-S143 CarbonylContact O-C 3.59Å; L139-P144 VanDerWaalsContact O-CA 3.26Å; L139-P144 WeakPolarHBondContact O-CA 3.49Å; L139-L147 HydrophobicContact CB-CD1 4.02Å; L139-L147 HydrophobicContact CD2-CD1 4.35Å
140	Q	89.6	Confident	90.5	Very high	146 Å²	146	95.1 Å²	95.1	68%	0.682	50%	0.504	S	S	*	.	I	π-helix	trans	-86.6	-32	-175.8	-172.3	166	-16.8	0	0	113.2	V136 A137 W138	V136-Q140 VanDerWaalsContact O-CB 3.26Å; V136-Q140 WeakPolarHBondContact O-CB 3.46Å; V136-Q140 PolarHBondContact O-N 2.75Å; A137-Q140 PolarHBondContact O-N 3.03Å; W138-Q140 VanDerWaalsContact C-N 3.32Å; W138-Q140 PolarHBondContact O-N 3.43Å
141	V	91	Very high	90.1	Very high	114 Å²	114	93.8 Å²	93.8	69%	0.691	50%	0.496	S	S	*	.	I	π-helix	trans	-109	-41.1	-173.7	-174.6	0	0	0	0	112.7	A137	A137-V141 VanDerWaalsContact O-CB 3.29Å; A137-V141 WeakPolarHBondContact O-CB 3.39Å; A137-V141 WeakPolarHBondContact O-CG2 3.26Å; A137-V141 PolarHBondContact O-N 2.91Å
142	I	85.1	Confident	89.7	Confident	100 Å²	100	88.7 Å²	88.7	51%	0.513	48%	0.476	S	S	.	.	I	π-helix	trans	-95.4	-32.7	-171.3	-61.6	168.3	0	0	0	111.9	W138	W138-I142 HydrophobicContact CD2-CB 4.02Å; W138-I142 HydrophobicContact CD2-CD1 3.85Å; W138-I142 HydrophobicContact CD2-CG2 4.03Å; W138-I142 HydrophobicContact CE3-CB 4.24Å; W138-I142 HydrophobicContact CE3-CD1 3.22Å; W138-I142 HydrophobicContact CE3-CG1 4.3Å; W138-I142 HydrophobicContact CE3-CG2 4.16Å; W138-I142 HydrophobicContact CG-CB 4.36Å; W138-I142 HydrophobicContact CG-CD1 4.48Å; W138-I142 HydrophobicContact CH2-CD1 4.34Å; W138-I142 HydrophobicContact CH2-CG2 3.72Å; W138-I142 HydrophobicContact CZ2-CB 4.47Å; W138-I142 HydrophobicContact CZ2-CG2 3.59Å; W138-I142 HydrophobicContact CZ3-CD1 3.51Å; W138-I142 HydrophobicContact CZ3-CG2 4.01Å; W138-I142 WeakPolarHBondContact O-CA 3.38Å; W138-I142 WeakPolarHBondContact O-CB 3.42Å; W138-I142 PolarHBondContact O-N 2.93Å
143	S	88.6	Confident	89.2	Confident	51 Å²	51	89 Å²	89	36%	0.357	48%	0.476	S	S	.	.	S	Bend	trans	-138.7	53	-179.6	-54.2	0	0	0	0	114.2	W138 L139 D145	W138-S143 PolarHBondContact NE1-OG 3.28Å; W138-S143 PolarHBondContact O-N 2.86Å; L139-S143 CarbonylContact O-C 3.59Å; S143-D145 VanDerWaalsContact C-N 3.28Å; S143-D145 PolarHBondContact O-N 3.44Å
144	P	87.9	Confident	88.6	Confident	39 Å²	39	91.2 Å²	91.2	25%	0.253	48%	0.476	S	S	.	.			trans	-69.6	-24.5	179.8	30	-35.3	0	0	0	113.3	L139 M146 L147 V148	L139-P144 VanDerWaalsContact O-CA 3.26Å; L139-P144 WeakPolarHBondContact O-CA 3.49Å; P144-M146 VanDerWaalsContact C-N 3.31Å; P144-M146 PolarHBondContact O-N 3.37Å; P144-M146 VanDerWaalsContact O-N 3.13Å; P144-L147 PolarHBondContact O-N 2.92Å; P144-V148 HydrophobicContact CB-CG2 4.23Å; P144-V148 WeakPolarHBondContact O-CG2 3.46Å; P144-V148 PolarHBondContact O-N 3.38Å
145	D	86.3	Confident	88.1	Confident	128 Å²	128	90.3 Å²	90.3	68%	0.684	46%	0.463	S	S	*	.	H	α-helix	trans	-53.3	-41.9	-167.3	-60.2	-23.2	0	0	0	114.3	S143 K149	S143-D145 VanDerWaalsContact C-N 3.28Å; S143-D145 PolarHBondContact O-N 3.44Å; D145-K149 WeakPolarHBondContact O-CB 3.32Å; D145-K149 PolarHBondContact O-N 2.69Å
146	M	86.2	Confident	87.8	Confident	131 Å²	131	86.5 Å²	86.5	65%	0.645	45%	0.452	S	S	*	.	H	α-helix	trans	-67.9	-40.3	-179.8	-174.3	-92.7	-78.6	0	0	111.7	P144 E150	P144-M146 VanDerWaalsContact C-N 3.31Å; P144-M146 PolarHBondContact O-N 3.37Å; P144-M146 VanDerWaalsContact O-N 3.13Å; M146-E150 WeakPolarHBondContact O-CB 3.44Å; M146-E150 PolarHBondContact O-N 3.36Å
147	L	86.4	Confident	87.5	Confident	89 Å²	89	88 Å²	88	47%	0.466	45%	0.449	S	S	.	.	H	α-helix	trans	-71.5	-40.5	178.2	-67.2	172.8	0	0	0	111.6	L139 P144 E150 G151	L139-L147 HydrophobicContact CB-CD1 4.02Å; L139-L147 HydrophobicContact CD2-CD1 4.35Å; P144-L147 PolarHBondContact O-N 2.92Å; L147-E150 PolarHBondContact O-N 2.85Å; L147-G151 PolarHBondContact O-N 2.91Å
148	V	86.9	Confident	87	Confident	78 Å²	78	89.9 Å²	89.9	47%	0.473	46%	0.455	S	S	.	.	H	α-helix	trans	-63.1	-48.8	175.1	173.7	0	0	0	0	110.1	P144 E150 G151 D152	P144-V148 HydrophobicContact CB-CG2 4.23Å; P144-V148 WeakPolarHBondContact O-CG2 3.46Å; P144-V148 PolarHBondContact O-N 3.38Å; V148-E150 VanDerWaalsContact C-N 3.31Å; V148-E150 PolarHBondContact O-N 2.88Å; V148-G151 CarbonylContact O-C 3.21Å; V148-G151 WeakPolarHBondContact O-CA 3.45Å; V148-G151 PolarHBondContact O-N 3.04Å; V148-G151 VanDerWaalsContact O-N 3.1Å; V148-D152 WeakPolarHBondContact O-CB 3.23Å; V148-D152 PolarHBondContact O-N 2.9Å
149	K	87.1	Confident	86.4	Confident	142 Å²	142	87.3 Å²	87.3	62%	0.617	45%	0.448	S	S	*	.	H	α-helix	trans	-57.4	-43	176.7	-177.6	177.8	179.4	178.3	0	112.2	D145 D152 M153	D145-K149 WeakPolarHBondContact O-CB 3.32Å; D145-K149 PolarHBondContact O-N 2.69Å; K149-D152 PolarHBondContact O-N 3.18Å; K149-M153 HydrophobicContact CG-CE 4.38Å; K149-M153 VanDerWaalsContact O-CG 3.31Å; K149-M153 WeakPolarHBondContact O-CG 3.34Å; K149-M153 PolarHBondContact O-N 3.47Å
150	E	88.1	Confident	85.7	Confident	71 Å²	71	92.2 Å²	92.2	33%	0.332	47%	0.469	S	S	.	.	H	α-helix	trans	-66.5	-39.2	177.1	-171.3	60.3	-150.4	0	0	112.1	M146 L147 V148 M153 R154	M146-E150 WeakPolarHBondContact O-CB 3.44Å; M146-E150 PolarHBondContact O-N 3.36Å; L147-E150 PolarHBondContact O-N 2.85Å; V148-E150 VanDerWaalsContact C-N 3.31Å; V148-E150 PolarHBondContact O-N 2.88Å; E150-M153 WeakPolarHBondContact OE2-CE 3.45Å; E150-R154 WeakPolarHBondContact O-CD 3.46Å; E150-R154 VanDerWaalsContact O-CG 3.27Å; E150-R154 WeakPolarHBondContact O-CG 3.47Å; E150-R154 PolarHBondContact O-N 2.65Å; E150-R154 IonicContact OE1-CZ 2.76Å; E150-R154 IonicContact OE1-NE 2.95Å; E150-R154 PolarHBondContact OE1-NE 2.87Å; E150-R154 IonicContact OE1-NH2 3.96Å; E150-R154 PolarHBondContact OE1-NH2 2.85Å
151	G	86.4	Confident	84.8	Confident	32 Å²	32	88.5 Å²	88.5	33%	0.33	46%	0.456	S	S	.	.	H	α-helix	trans	-62.9	-41.4	171.9	0	0	0	0	0	112.7	L147 V148 R154 S155	L147-G151 PolarHBondContact O-N 2.91Å; V148-G151 CarbonylContact O-C 3.21Å; V148-G151 WeakPolarHBondContact O-CA 3.45Å; V148-G151 PolarHBondContact O-N 3.04Å; V148-G151 VanDerWaalsContact O-N 3.1Å; G151-R154 PolarHBondContact O-N 2.74Å; G151-S155 WeakPolarHBondContact O-CB 3.48Å; G151-S155 PolarHBondContact O-N 2.94Å; G151-S155 PolarHBondContact O-OG 2.92Å
152	D	88.1	Confident	83.9	Confident	43 Å²	43	87.5 Å²	87.5	23%	0.23	46%	0.455	C	S	.	.	H	α-helix	trans	-71.4	-42	-179.1	-78.2	-16.6	0	0	0	112.1	V148 K149 R154 S155 L156 R304	V148-D152 WeakPolarHBondContact O-CB 3.23Å; V148-D152 PolarHBondContact O-N 2.9Å; K149-D152 PolarHBondContact O-N 3.18Å; D152-R154 PolarHBondContact O-N 2.61Å; D152-R154 VanDerWaalsContact O-N 3.13Å; D152-S155 PolarHBondContact O-N 2.82Å; D152-L156 HydrophobicContact CB-CB 4.5Å; D152-L156 HydrophobicContact CB-CD1 3.57Å; D152-L156 HydrophobicContact CB-CG 3.76Å; D152-L156 VanDerWaalsContact CG-CD1 3.4Å; D152-L156 WeakPolarHBondContact O-CA 3.36Å; D152-L156 VanDerWaalsContact O-CB 3.28Å; D152-L156 WeakPolarHBondContact O-CB 3.31Å; D152-L156 PolarHBondContact O-N 2.79Å; D152-L156 WeakPolarHBondContact OD1-CG 3.39Å; D152-R304 IonicContact OD1-NH2 3.66Å; D152-R304 PolarHBondContact OD1-NH2 3.46Å
153	M	83.2	Confident	83.7	Confident	108 Å²	108	84.5 Å²	84.5	53%	0.532	44%	0.441	S	S	.	.	H	α-helix	trans	-56.8	-32.1	173.1	-74.8	-170.5	-60.5	0	0	112	K149 E150 R157	K149-M153 HydrophobicContact CG-CE 4.38Å; K149-M153 VanDerWaalsContact O-CG 3.31Å; K149-M153 WeakPolarHBondContact O-CG 3.34Å; K149-M153 PolarHBondContact O-N 3.47Å; E150-M153 WeakPolarHBondContact OE2-CE 3.45Å; M153-R157 PolarHBondContact O-NH1 3.21Å
154	R	83.9	Confident	83.6	Confident	171 Å²	171	85.4 Å²	85.4	65%	0.645	45%	0.448	S	S	*	.	H	α-helix	trans	-83.3	-37.8	179.4	-66	170.6	-170.6	-172.1	3.2	112.8	E150 G151 D152 R157	E150-R154 WeakPolarHBondContact O-CD 3.46Å; E150-R154 VanDerWaalsContact O-CG 3.27Å; E150-R154 WeakPolarHBondContact O-CG 3.47Å; E150-R154 PolarHBondContact O-N 2.65Å; E150-R154 IonicContact OE1-CZ 2.76Å; E150-R154 IonicContact OE1-NE 2.95Å; E150-R154 PolarHBondContact OE1-NE 2.87Å; E150-R154 IonicContact OE1-NH2 3.96Å; E150-R154 PolarHBondContact OE1-NH2 2.85Å; G151-R154 PolarHBondContact O-N 2.74Å; D152-R154 PolarHBondContact O-N 2.61Å; D152-R154 VanDerWaalsContact O-N 3.13Å; R154-R157 PolarHBondContact O-NH1 2.85Å; R154-R157 PolarHBondContact O-NH2 2.96Å
155	S	84.6	Confident	83.8	Confident	23 Å²	23	84.2 Å²	84.2	16%	0.161	44%	0.438	C	S	.	.	H	α-helix	trans	-109.1	-32.6	-168	68.2	0	0	0	0	115.3	G151 D152 R304 K305	G151-S155 WeakPolarHBondContact O-CB 3.48Å; G151-S155 PolarHBondContact O-N 2.94Å; G151-S155 PolarHBondContact O-OG 2.92Å; D152-S155 PolarHBondContact O-N 2.82Å; S155-R304 WeakPolarHBondContact O-CA 3.36Å; S155-R304 PolarHBondContact OG-NE 3.45Å; S155-K305 PolarHBondContact O-N 2.99Å
156	L	87.1	Confident	84.3	Confident	48 Å²	48	78.2 Å²	78.2	25%	0.251	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133.4	178.8	-64.1	-171.6	0	0	0	111.2	D152 I302 R304 I315	D152-L156 HydrophobicContact CB-CB 4.5Å; D152-L156 HydrophobicContact CB-CD1 3.57Å; D152-L156 HydrophobicContact CB-CG 3.76Å; D152-L156 VanDerWaalsContact CG-CD1 3.4Å; D152-L156 WeakPolarHBondContact O-CA 3.36Å; D152-L156 VanDerWaalsContact O-CB 3.28Å; D152-L156 WeakPolarHBondContact O-CB 3.31Å; D152-L156 PolarHBondContact O-N 2.79Å; D152-L156 WeakPolarHBondContact OD1-CG 3.39Å; L156-I302 HydrophobicContact CD2-CG2 4.41Å; L156-R304 HydrophobicContact CD2-CB 4.34Å; L156-I315 HydrophobicContact CD2-CD1 3.06Å; L156-I315 HydrophobicContact CG-CD1 4.49Å
157	R	85.4	Confident	84.7	Confident	112 Å²	112	75.5 Å²	75.5	42%	0.423	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	129.2	173.1	-64.3	-64.4	178.8	-95.4	-4.6	109.2	M153 R154 V303 K305	M153-R157 PolarHBondContact O-NH1 3.21Å; R154-R157 PolarHBondContact O-NH1 2.85Å; R154-R157 PolarHBondContact O-NH2 2.96Å; R157-V303 HydrophobicContact CB-CG2 4.12Å; R157-V303 PolarHBondContact N-O 2.9Å; R157-V303 WeakPolarHBondContact O-CG2 3.37Å; R157-V303 PolarHBondContact O-N 3.39Å; R157-K305 HydrophobicContact CB-CD 4.46Å; R157-K305 HydrophobicContact CG-CD 4.12Å; R157-K305 HydrophobicContact CG-CG 4.43Å
158	V	83.2	Confident	85.3	Confident	88 Å²	88	71.2 Å²	71.2	53%	0.533	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	121.7	168.7	179.2	0	0	0	0	108.1	E300 I302	V158-E300 HydrophobicContact CG1-CG 3.44Å; V158-E300 VanDerWaalsContact CG1-CG 3.44Å; V158-E300 WeakPolarHBondContact CG1-OE1 3.09Å; V158-I302 HydrophobicContact CG2-CG1 4.47Å
159	Q	79.2	Confident	85.8	Confident	67 Å²	67	68.5 Å²	68.5	31%	0.313	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.4	171.7	-66.8	-171.2	-37.9	0	0	109	R301 V303	Q159-R301 HydrophobicContact CB-CB 4.48Å; Q159-R301 PolarHBondContact N-O 3.32Å; Q159-R301 PolarHBondContact O-N 3.28Å; Q159-V303 HydrophobicContact CG-CG2 4Å
160	Q	75.3	Confident	86.4	Confident	155 Å²	155	61.8 Å²	61.8	72%	0.724	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	131	172.5	-69.4	-174.8	-27.1	0	0	109.8	G299	Q160-G299 WeakPolarHBondContact CA-O 3.25Å
161	V	71.8	Confident	86.8	Confident	68 Å²	68	61 Å²	61	41%	0.412	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	104.9	165.6	-176.9	0	0	0	0	106.5	P298 G299	V161-P298 WeakPolarHBondContact O-CA 3.31Å; V161-G299 PolarHBondContact N-O 2.93Å; V161-G299 PolarHBondContact O-N 2.96Å
162	S	72.2	Confident	87.3	Confident	94 Å²	94	62.8 Å²	62.8	66%	0.657	33%	0.327	S	S	*	.			trans	-68.2	137.2	-179.2	52.5	0	0	0	0	110.7
163	T	79.7	Confident	87.7	Confident	37 Å²	37	63 Å²	63	23%	0.227	34%	0.339	C	S	.	.			trans	-104.8	142.3	167.4	177.3	0	0	0	0	109.3
164	S	86.3	Confident	88.3	Confident	70 Å²	70	61.4 Å²	61.4	49%	0.49	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-73.8	145.1	173.3	-72.2	0	0	0	0	110.6	A323	S164-A323 VanDerWaalsContact O-CB 3.3Å; S164-A323 WeakPolarHBondContact O-CB 3.49Å
165	R	93.4	Very high	89	Confident	13 Å²	13	56 Å²	56	5%	0.049	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-64.4	138.6	172.2	-171.6	-178.9	-177.4	79.2	-0.5	110.6	S179 R261 S280 E287 D291 L294 T295	R165-S179 PolarHBondContact O-OG 3.42Å; R165-R261 PolarHBondContact O-NH1 3.38Å; R165-S280 PolarHBondContact NH1-O 2.88Å; R165-E287 IonicContact CZ-OE2 3.22Å; R165-E287 IonicContact NE-OE2 3.95Å; R165-E287 PolarHBondContact NE-OE2 3.39Å; R165-E287 PolarHBondContact NH2-O 3.35Å; R165-E287 IonicContact NH2-OE2 3.45Å; R165-E287 PolarHBondContact NH2-OE2 2.77Å; R165-D291 IonicContact CZ-OD1 2.77Å; R165-D291 VanDerWaalsContact CZ-OD1 3.27Å; R165-D291 IonicContact NH1-OD1 2.9Å; R165-D291 PolarHBondContact NH1-OD1 3.13Å; R165-D291 IonicContact NH2-OD1 3.62Å; R165-D291 PolarHBondContact NH2-OD1 3.31Å; R165-L294 WeakPolarHBondContact CA-O 3.28Å; R165-L294 HydrophobicContact CG-CB 4.11Å; R165-L294 WeakPolarHBondContact CG-O 3.37Å; R165-T295 PolarHBondContact NH1-OG1 3.28Å
166	G	95.1	Very high	89.6	Confident	3 Å²	3	55 Å²	55	3%	0.031	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-59.6	148.7	-175.5	0	0	0	0	0	113.3	R261 L294	G166-R261 VanDerWaalsContact O-CZ 3.22Å; G166-R261 PolarHBondContact O-NH1 3.03Å; G166-R261 PolarHBondContact O-NH2 2.66Å; G166-L294 PolarHBondContact N-O 3.4Å
167	M	96.3	Very high	90.2	Very high	73 Å²	73	52.7 Å²	52.7	36%	0.36	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-74.6	139.5	179.4	-169.8	176.3	-58.8	0	0	110.6	T169 P175 A177 V178 N325 L326	M167-T169 HydrophobicContact CG-CG2 3.9Å; M167-T169 HydrophobicContact SD-CG2 3.8Å; M167-P175 HydrophobicContact SD-CB 4.08Å; M167-A177 WeakPolarHBondContact CG-O 3.27Å; M167-V178 HydrophobicContact CE-CG1 4.09Å; M167-V178 HydrophobicContact CG-CG1 4.1Å; M167-V178 HydrophobicContact SD-CG1 4.23Å; M167-N325 WeakPolarHBondContact CB-OD1 3.4Å; M167-N325 PolarHBondContact N-OD1 2.89Å; M167-N325 CarbonylContact O-C 3.49Å; M167-N325 VanDerWaalsContact O-CA 3.3Å; M167-N325 WeakPolarHBondContact O-CA 3.43Å; M167-L326 PolarHBondContact O-N 3Å
168	I	98.3	Very high	90.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125.8	166.1	-57.1	167.8	0	0	0	107.4	L176 A177 I273 V286 E287 L294 L326 L328	I168-L176 HydrophobicContact CG2-CB 4.39Å; I168-L176 PolarHBondContact O-N 3.27Å; I168-A177 HydrophobicContact CB-CB 4Å; I168-A177 HydrophobicContact CD1-CB 4Å; I168-A177 HydrophobicContact CG1-CB 4.25Å; I168-A177 PolarHBondContact N-O 2.84Å; I168-A177 PolarHBondContact O-N 3.21Å; I168-A177 VanDerWaalsContact O-N 3.09Å; I168-I273 HydrophobicContact CD1-CG2 4.15Å; I168-I273 HydrophobicContact CG2-CD1 3.94Å; I168-V286 HydrophobicContact CD1-CG1 3.83Å; I168-E287 HydrophobicContact CD1-CG 4.22Å; I168-E287 WeakPolarHBondContact CD1-OE1 3.31Å; I168-L294 HydrophobicContact CD1-CD1 3.8Å; I168-L294 HydrophobicContact CG1-CD1 4.04Å; I168-L294 HydrophobicContact CG1-CD2 3.84Å; I168-L326 CarbonylContact C-O 3.51Å; I168-L326 WeakPolarHBondContact CA-O 3.35Å; I168-L326 HydrophobicContact CG1-CB 4.48Å; I168-L328 HydrophobicContact CG2-CD1 3.71Å; I168-L328 HydrophobicContact CG2-CD2 4.31Å; I168-L328 HydrophobicContact CG2-CG 3.72Å
169	T	98.5	Very high	91.2	Very high	21 Å²	21	45.8 Å²	45.8	13%	0.129	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	159.9	177.2	68.4	0	0	0	0	111.4	M167 R174 L326 L328	M167-T169 HydrophobicContact CG-CG2 3.9Å; M167-T169 HydrophobicContact SD-CG2 3.8Å; T169-R174 CarbonylContact C-O 3.45Å; T169-R174 WeakPolarHBondContact CA-O 3.13Å; T169-R174 WeakPolarHBondContact CB-O 3.13Å; T169-L326 PolarHBondContact N-O 3.29Å; T169-L328 PolarHBondContact O-N 2.87Å
170	D	98.1	Very high	91.9	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	27%	0.268	C	S	.	.			trans	-74.9	178.5	165.8	96.2	-25.8	0	0	0	110.9	S172 G173 R174 L176 L328 I330 E332	D170-S172 PolarHBondContact O-N 3.07Å; D170-S172 VanDerWaalsContact O-N 3.1Å; D170-S172 VanDerWaalsContact OD1-CA 3.3Å; D170-S172 WeakPolarHBondContact OD1-CA 3.49Å; D170-S172 WeakPolarHBondContact OD1-CB 3.43Å; D170-S172 PolarHBondContact OD1-N 3.43Å; D170-G173 PolarHBondContact O-N 3.19Å; D170-G173 PolarHBondContact OD1-N 3.32Å; D170-R174 PolarHBondContact N-O 2.76Å; D170-R174 WeakPolarHBondContact OD1-CB 3.41Å; D170-R174 PolarHBondContact OD1-N 2.94Å; D170-R174 IonicContact OD1-NE 3.24Å; D170-R174 IonicContact OD1-NH2 3.25Å; D170-R174 IonicContact OD2-CZ 3.88Å; D170-R174 IonicContact OD2-NE 2.77Å; D170-R174 PolarHBondContact OD2-NE 2.83Å; D170-R174 IonicContact OD2-NH2 3.31Å; D170-R174 PolarHBondContact OD2-NH2 2.96Å; D170-L176 HydrophobicContact CB-CD1 3.85Å; D170-L176 HydrophobicContact CB-CD2 4.2Å; D170-L176 HydrophobicContact CB-CG 4.04Å; D170-L328 CarbonylContact C-O 3.49Å; D170-I330 VanDerWaalsContact CB-O 3.3Å; D170-I330 WeakPolarHBondContact CB-O 3.48Å; D170-E332 HydrophobicContact CB-CB 4.15Å; D170-E332 VanDerWaalsContact OD2-CB 3.24Å; D170-E332 WeakPolarHBondContact OD2-CB 3.34Å; D170-E332 PolarHBondContact OD2-N 3.32Å
171	R	96.7	Very high	92.7	Very high	54 Å²	54	42.6 Å²	42.6	20%	0.204	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-18.1	-177.3	74.2	-177.7	-64.9	122.7	-3.6	114.5	L328 S329 I330 D331 E365 K542	R171-L328 VanDerWaalsContact CA-O 3.27Å; R171-L328 WeakPolarHBondContact CA-O 3.17Å; R171-L328 WeakPolarHBondContact CB-O 2.95Å; R171-L328 PolarHBondContact N-O 2.69Å; R171-L328 VanDerWaalsContact N-O 3.11Å; R171-S329 WeakPolarHBondContact CD-O 3.32Å; R171-S329 PolarHBondContact NH1-O 3.4Å; R171-I330 WeakPolarHBondContact CB-O 3.34Å; R171-I330 WeakPolarHBondContact CG-O 3.34Å; R171-I330 PolarHBondContact N-O 2.88Å; R171-D331 HydrophobicContact CG-CB 4.18Å; R171-E365 IonicContact CZ-OE2 3.98Å; R171-E365 IonicContact NH1-OE1 3.17Å; R171-E365 IonicContact NH1-OE2 3.27Å; R171-E365 PolarHBondContact NH1-OE2 3.36Å; R171-E365 IonicContact NH2-OE2 2.96Å; R171-E365 PolarHBondContact NH2-OE2 2.55Å; R171-K542 HydrophobicContact CB-CD 4.31Å; R171-K542 PolarHBondContact O-NZ 3.37Å
172	S	96.3	Very high	93.7	Very high	69 Å²	69	39.8 Å²	39.8	48%	0.483	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	4.7	-179.9	-53.4	0	0	0	0	112.6	D170 R174	D170-S172 PolarHBondContact O-N 3.07Å; D170-S172 VanDerWaalsContact O-N 3.1Å; D170-S172 VanDerWaalsContact OD1-CA 3.3Å; D170-S172 WeakPolarHBondContact OD1-CA 3.49Å; D170-S172 WeakPolarHBondContact OD1-CB 3.43Å; D170-S172 PolarHBondContact OD1-N 3.43Å; S172-R174 PolarHBondContact OG-NH2 3.4Å
173	G	96.7	Very high	94.8	Very high	47 Å²	47	37.7 Å²	37.7	49%	0.485	23%	0.226	S	C	.	.	S	Bend	trans	84	7.5	-179.6	0	0	0	0	0	114.9	D170	D170-G173 PolarHBondContact O-N 3.19Å; D170-G173 PolarHBondContact OD1-N 3.32Å
174	R	97.4	Very high	95.5	Very high	75 Å²	75	35.9 Å²	35.9	28%	0.283	22%	0.215	S	C	.	.			trans	-72.2	134.9	174.4	-69.6	175.1	-72.4	-99.8	2.8	109.9	T169 D170 S172 L176 D331	T169-R174 CarbonylContact C-O 3.45Å; T169-R174 WeakPolarHBondContact CA-O 3.13Å; T169-R174 WeakPolarHBondContact CB-O 3.13Å; D170-R174 PolarHBondContact N-O 2.76Å; D170-R174 WeakPolarHBondContact OD1-CB 3.41Å; D170-R174 PolarHBondContact OD1-N 2.94Å; D170-R174 IonicContact OD1-NE 3.24Å; D170-R174 IonicContact OD1-NH2 3.25Å; D170-R174 IonicContact OD2-CZ 3.88Å; D170-R174 IonicContact OD2-NE 2.77Å; D170-R174 PolarHBondContact OD2-NE 2.83Å; D170-R174 IonicContact OD2-NH2 3.31Å; D170-R174 PolarHBondContact OD2-NH2 2.96Å; S172-R174 PolarHBondContact OG-NH2 3.4Å; R174-L176 PolarHBondContact O-N 2.81Å; R174-D331 IonicContact NH2-OD1 3.7Å; R174-D331 PolarHBondContact NH2-OD1 3.29Å; R174-D331 VanDerWaalsContact NH2-OD1 3.16Å; R174-D331 IonicContact NH2-OD2 2.7Å
175	P	97.6	Very high	96	Very high	59 Å²	59	32.6 Å²	32.6	38%	0.383	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	126.4	-176.9	27.1	-33.4	0	0	0	112	M167 V178	M167-P175 HydrophobicContact SD-CB 4.08Å; P175-V178 HydrophobicContact CB-CG1 3.56Å
176	L	98.2	Very high	96.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-27.9	173.5	-60.1	179.8	0	0	0	112.2	I168 D170 R174 P264 T269 I273 L328 E332	I168-L176 HydrophobicContact CG2-CB 4.39Å; I168-L176 PolarHBondContact O-N 3.27Å; D170-L176 HydrophobicContact CB-CD1 3.85Å; D170-L176 HydrophobicContact CB-CD2 4.2Å; D170-L176 HydrophobicContact CB-CG 4.04Å; R174-L176 PolarHBondContact O-N 2.81Å; L176-P264 WeakPolarHBondContact O-CD 3.21Å; L176-T269 HydrophobicContact CD2-CG2 4.28Å; L176-I273 HydrophobicContact CB-CD1 3.95Å; L176-I273 HydrophobicContact CB-CG1 4.34Å; L176-I273 HydrophobicContact CD1-CD1 4.05Å; L176-L328 HydrophobicContact CD1-CD1 4.04Å; L176-E332 HydrophobicContact CD2-CB 4.27Å; L176-E332 HydrophobicContact CD2-CG 4.08Å
177	A	98.2	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	132.2	170.7	0	0	0	0	0	110.9	M167 I168 Y262 Y263 I273	M167-A177 WeakPolarHBondContact CG-O 3.27Å; I168-A177 HydrophobicContact CB-CB 4Å; I168-A177 HydrophobicContact CD1-CB 4Å; I168-A177 HydrophobicContact CG1-CB 4.25Å; I168-A177 PolarHBondContact N-O 2.84Å; I168-A177 PolarHBondContact O-N 3.21Å; I168-A177 VanDerWaalsContact O-N 3.09Å; A177-Y262 WeakPolarHBondContact CA-O 3.39Å; A177-Y263 HydrophobicContact CB-CD1 3.72Å; A177-Y263 HydrophobicContact CB-CE1 3.91Å; A177-I273 HydrophobicContact CB-CG2 4.06Å
178	V	96.5	Very high	96	Very high	26 Å²	26	30.9 Å²	30.9	16%	0.158	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	153.3	-176	-61.1	0	0	0	0	111.1	M167 P175 V180 Y262 P264	M167-V178 HydrophobicContact CE-CG1 4.09Å; M167-V178 HydrophobicContact CG-CG1 4.1Å; M167-V178 HydrophobicContact SD-CG1 4.23Å; P175-V178 HydrophobicContact CB-CG1 3.56Å; V178-V180 HydrophobicContact CG2-CG2 4.1Å; V178-Y262 HydrophobicContact CG2-CD1 4.1Å; V178-Y262 PolarHBondContact N-O 2.88Å; V178-Y262 PolarHBondContact O-N 3.03Å; V178-P264 HydrophobicContact CG2-CG 4.4Å
179	S	94.6	Very high	95.8	Very high	30 Å²	30	31.1 Å²	31.1	21%	0.21	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	116.1	174.2	-57.3	0	0	0	0	108.8	R165 R261	R165-S179 PolarHBondContact O-OG 3.42Å; S179-R261 PolarHBondContact OG-NH1 3.25Å
180	V	92.9	Very high	95.6	Very high	57 Å²	57	34.7 Å²	34.7	35%	0.345	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.9	-178.4	-178.8	0	0	0	0	109.3	V178 V182 S259 R260 Y262	V178-V180 HydrophobicContact CG2-CG2 4.1Å; V180-V182 PolarHBondContact O-N 3.5Å; V180-S259 WeakPolarHBondContact O-CA 3.28Å; V180-R260 PolarHBondContact N-O 2.93Å; V180-R260 PolarHBondContact O-N 2.87Å; V180-Y262 HydrophobicContact CG2-CG 4.36Å
181	P	91.8	Very high	95.3	Very high	98 Å²	98	37.8 Å²	37.8	64%	0.636	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	129.2	177	27.9	-34.7	0	0	0	111
182	V	94	Very high	95.1	Very high	9 Å²	9	35.2 Å²	35.2	6%	0.055	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	177.2	178.2	-67.1	0	0	0	0	108.9	V180 Q236 V237 E258 R260	V180-V182 PolarHBondContact O-N 3.5Å; V182-Q236 HydrophobicContact CG2-CB 3.99Å; V182-Q236 HydrophobicContact CG2-CG 4.15Å; V182-V237 WeakPolarHBondContact CB-O 3.34Å; V182-E258 CarbonylContact C-O 3.5Å; V182-E258 HydrophobicContact CG2-CB 3.93Å; V182-E258 WeakPolarHBondContact CG2-O 3.4Å; V182-E258 PolarHBondContact N-O 3Å; V182-E258 CarbonylContact O-C 3.55Å; V182-E258 PolarHBondContact O-N 3.27Å; V182-R260 HydrophobicContact CB-CB 4.42Å; V182-R260 HydrophobicContact CG1-CB 3.75Å; V182-R260 HydrophobicContact CG2-CB 3.77Å
183	K	94.1	Very high	94.8	Very high	49 Å²	49	37.4 Å²	37.4	21%	0.213	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155.9	174.2	-60.1	-176.8	-169.6	162.2	0	110.5	Q236 V237 A242 D243 L255 R256	K183-Q236 CarbonylContact O-C 3.38Å; K183-Q236 PolarHBondContact O-N 3.32Å; K183-V237 HydrophobicContact CB-CG2 4.29Å; K183-V237 PolarHBondContact N-O 2.88Å; K183-V237 WeakPolarHBondContact O-CG2 3.18Å; K183-V237 PolarHBondContact O-N 2.82Å; K183-A242 HydrophobicContact CB-CB 3.84Å; K183-A242 HydrophobicContact CD-CB 3.65Å; K183-A242 HydrophobicContact CG-CB 4.13Å; K183-D243 IonicContact NZ-OD1 2.69Å; K183-D243 PolarHBondContact NZ-OD1 3.22Å; K183-L255 HydrophobicContact CD-CB 4.37Å; K183-L255 HydrophobicContact CD-CD1 3.99Å; K183-R256 CarbonylContact C-O 3.52Å; K183-R256 VanDerWaalsContact CA-O 3.22Å; K183-R256 WeakPolarHBondContact CA-O 3.28Å
184	A	94.9	Very high	94.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	148.5	161	0	0	0	0	0	109.8	Y232 A234 L255 R256 E258	A184-Y232 HydrophobicContact CB-CD1 4.24Å; A184-Y232 HydrophobicContact CB-CE1 4.25Å; A184-A234 WeakPolarHBondContact CA-O 3.39Å; A184-L255 CarbonylContact O-C 3.33Å; A184-L255 WeakPolarHBondContact O-CA 3.48Å; A184-R256 PolarHBondContact N-O 2.84Å; A184-R256 PolarHBondContact O-N 3.12Å; A184-E258 HydrophobicContact CB-CG 3.97Å; A184-E258 VanDerWaalsContact CB-OE1 3.31Å; A184-E258 WeakPolarHBondContact CB-OE1 3.38Å
185	I	95.9	Very high	94.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	124.3	172.3	-60	151.7	0	0	0	106.8	L211 L233 A234 V237 I245 I253 L255	I185-L211 HydrophobicContact CD1-CD2 3.63Å; I185-L233 HydrophobicContact CG2-CB 4.18Å; I185-L233 HydrophobicContact CG2-CD1 4.17Å; I185-L233 PolarHBondContact O-N 3.45Å; I185-A234 HydrophobicContact CD1-CB 4.32Å; I185-A234 PolarHBondContact N-O 2.77Å; I185-A234 PolarHBondContact O-N 2.9Å; I185-A234 VanDerWaalsContact O-N 3.14Å; I185-V237 HydrophobicContact CD1-CB 4.25Å; I185-V237 HydrophobicContact CD1-CG1 3.79Å; I185-V237 HydrophobicContact CD1-CG2 3.67Å; I185-V237 HydrophobicContact CG1-CG2 3.9Å; I185-I245 HydrophobicContact CD1-CD1 3.29Å; I185-I245 HydrophobicContact CG1-CD1 4.29Å; I185-I245 HydrophobicContact CG2-CG2 4.42Å; I185-I253 HydrophobicContact CG2-CG2 3.93Å; I185-L255 HydrophobicContact CB-CD2 4.5Å; I185-L255 HydrophobicContact CG1-CD2 3.62Å
186	W	95.4	Very high	93.6	Very high	46 Å²	46	40.4 Å²	40.4	17%	0.174	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.4	179.1	65.6	-81.9	0	0	0	110.2	D188 F230 I231 Y232 H254	W186-D188 HydrophobicContact CZ3-CB 4.03Å; W186-F230 HydrophobicContact CB-CD2 4.42Å; W186-F230 HydrophobicContact CB-CE2 3.8Å; W186-F230 HydrophobicContact CB-CZ 4.02Å; W186-F230 AromaticContact CD2-CD2 3.68Å; W186-F230 HydrophobicContact CD2-CD2 3.68Å; W186-F230 AromaticContact CD2-CE2 3.46Å; W186-F230 HydrophobicContact CD2-CE2 3.46Å; W186-F230 VanDerWaalsContact CD2-CE2 3.46Å; W186-F230 AromaticContact CE3-CD2 3.31Å; W186-F230 HydrophobicContact CE3-CD2 3.31Å; W186-F230 AromaticContact CE3-CE2 3.64Å; W186-F230 HydrophobicContact CE3-CE2 3.64Å; W186-F230 HydrophobicContact CE3-CG 4.27Å; W186-F230 HydrophobicContact CG-CD2 4.19Å; W186-F230 AromaticContact CG-CE2 3.55Å; W186-F230 HydrophobicContact CG-CE2 3.55Å; W186-F230 HydrophobicContact CG-CZ 4.2Å; W186-F230 AromaticContact CZ3-CD2 3.8Å; W186-F230 HydrophobicContact CZ3-CD2 3.8Å; W186-F230 HydrophobicContact CZ3-CE2 4.4Å; W186-I231 CarbonylContact C-O 3.56Å; W186-I231 WeakPolarHBondContact CA-O 3.48Å; W186-I231 WeakPolarHBondContact CB-O 3.45Å; W186-Y232 HydrophobicContact CB-CD1 4.34Å; W186-H254 VanDerWaalsContact CD1-O 3.3Å; W186-H254 HydrophobicContact CD2-CB 3.89Å; W186-H254 HydrophobicContact CE3-CB 4.48Å; W186-H254 HydrophobicContact CG-CB 4.4Å; W186-H254 HydrophobicContact CH2-CB 4Å; W186-H254 AromaticContact CH2-CD2 3.56Å; W186-H254 AromaticContact CH2-CG 3.94Å; W186-H254 HydrophobicContact CZ2-CB 3.32Å; W186-H254 AromaticContact CZ2-CD2 3.82Å; W186-H254 AromaticContact CZ2-CG 3.69Å; W186-H254 AromaticContact CZ3-CD2 3.93Å; W186-H254 PolarHBondContact N-O 2.99Å; W186-H254 PolarHBondContact O-N 3.31Å
187	A	95.3	Very high	93	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	148.5	175.8	0	0	0	0	0	111	P189 I222 F230 I231 L233 G252 I253	A187-P189 WeakPolarHBondContact O-CD 3.5Å; A187-I222 HydrophobicContact CB-CD1 4.21Å; A187-I222 HydrophobicContact CB-CG1 4.2Å; A187-F230 CarbonylContact O-C 3.48Å; A187-F230 WeakPolarHBondContact O-CA 3.33Å; A187-I231 HydrophobicContact CB-CG2 3.82Å; A187-I231 PolarHBondContact N-O 3.15Å; A187-I231 PolarHBondContact O-N 2.88Å; A187-L233 HydrophobicContact CB-CD1 4.01Å; A187-L233 HydrophobicContact CB-CD2 4.15Å; A187-L233 HydrophobicContact CB-CG 4.11Å; A187-G252 CarbonylContact C-O 3.59Å; A187-G252 WeakPolarHBondContact CA-O 3.35Å; A187-I253 HydrophobicContact CB-CD1 3.64Å
188	D	94.8	Very high	92.4	Very high	7 Å²	7	43 Å²	43	4%	0.037	25%	0.253	C	S	.	.			trans	-101.7	97	163.3	-172.5	-37.4	0	0	0	108	W186 K190 E191 V192 R229 G252	W186-D188 HydrophobicContact CZ3-CB 4.03Å; D188-K190 PolarHBondContact O-N 3.12Å; D188-K190 WeakPolarHBondContact OD1-CB 3.45Å; D188-K190 PolarHBondContact OD1-N 3.12Å; D188-E191 HydrophobicContact CB-CB 3.82Å; D188-E191 PolarHBondContact O-N 3.31Å; D188-E191 PolarHBondContact OD1-N 3.4Å; D188-E191 VanDerWaalsContact OD1-N 3.15Å; D188-V192 WeakPolarHBondContact O-CG2 3.2Å; D188-V192 PolarHBondContact O-N 3.23Å; D188-R229 IonicContact OD1-CZ 2.65Å; D188-R229 IonicContact OD1-NE 3.17Å; D188-R229 IonicContact OD1-NH1 2.74Å; D188-R229 PolarHBondContact OD1-NH1 3.04Å; D188-R229 IonicContact OD2-CZ 3.94Å; D188-R229 IonicContact OD2-NE 3.27Å; D188-R229 PolarHBondContact OD2-NE 2.92Å; D188-R229 IonicContact OD2-NH1 3.87Å; D188-R229 PolarHBondContact OD2-NH1 3.17Å; D188-R229 IonicContact OD2-NH2 3.08Å; D188-R229 PolarHBondContact OD2-NH2 3.3Å; D188-G252 PolarHBondContact N-O 2.83Å
189	P	94.9	Very high	91.5	Very high	6 Å²	6	45 Å²	45	4%	0.039	27%	0.268	C	S	.	.	H	α-helix	trans	-53.4	-37.1	-176.7	-30.1	35	0	0	0	114.2	A187 V192 H193 I222 N225 G228 I231	A187-P189 WeakPolarHBondContact O-CD 3.5Å; P189-V192 PolarHBondContact O-N 3.41Å; P189-H193 WeakPolarHBondContact O-CB 3.41Å; P189-H193 PolarHBondContact O-N 2.88Å; P189-I222 HydrophobicContact CB-CG2 4.22Å; P189-I222 HydrophobicContact CG-CG2 4.4Å; P189-N225 WeakPolarHBondContact CB-O 3.34Å; P189-G228 VanDerWaalsContact CD-O 3.31Å; P189-G228 WeakPolarHBondContact CD-O 3.43Å; P189-I231 HydrophobicContact CG-CG2 3.94Å
190	K	92.3	Very high	90.5	Very high	96 Å²	96	48.6 Å²	48.6	42%	0.417	29%	0.289	S	S	.	.	H	α-helix	trans	-65.2	-46.3	177.3	-175.2	-173.1	174.1	-166.9	0	111.3	D188 V192 H193 D194 P226 G228	D188-K190 PolarHBondContact O-N 3.12Å; D188-K190 WeakPolarHBondContact OD1-CB 3.45Å; D188-K190 PolarHBondContact OD1-N 3.12Å; K190-V192 VanDerWaalsContact C-N 3.33Å; K190-V192 PolarHBondContact O-N 3.19Å; K190-H193 PolarHBondContact O-N 3.05Å; K190-D194 WeakPolarHBondContact O-CB 3.24Å; K190-D194 PolarHBondContact O-N 3.48Å; K190-P226 WeakPolarHBondContact CA-O 3.18Å; K190-P226 PolarHBondContact N-O 3.39Å; K190-G228 PolarHBondContact N-O 3.2Å; K190-G228 VanDerWaalsContact N-O 3.1Å
191	E	92.2	Very high	89.8	Confident	65 Å²	65	47.4 Å²	47.4	30%	0.304	29%	0.288	S	S	.	.	H	α-helix	trans	-63.1	-39.9	177.1	-168.6	-174.4	148.5	0	0	111.8	D188 H193 A195 G252 H254	D188-E191 HydrophobicContact CB-CB 3.82Å; D188-E191 PolarHBondContact O-N 3.31Å; D188-E191 PolarHBondContact OD1-N 3.4Å; D188-E191 VanDerWaalsContact OD1-N 3.15Å; E191-H193 VanDerWaalsContact C-N 3.35Å; E191-H193 PolarHBondContact O-N 3.27Å; E191-A195 VanDerWaalsContact O-CB 3.28Å; E191-A195 WeakPolarHBondContact O-CB 3.43Å; E191-A195 PolarHBondContact O-N 2.9Å; E191-G252 VanDerWaalsContact CD-N 3.3Å; E191-G252 WeakPolarHBondContact OE1-CA 3.44Å; E191-G252 PolarHBondContact OE1-N 3.02Å; E191-H254 IonicContact OE1-CE1 3.03Å; E191-H254 IonicContact OE1-NE2 2.61Å; E191-H254 IonicContact OE2-CD2 3.98Å; E191-H254 IonicContact OE2-CE1 3.47Å; E191-H254 IonicContact OE2-NE2 3.37Å; E191-H254 PolarHBondContact OE2-NE2 2.78Å
192	V	92.7	Very high	89.6	Confident	1 Å²	1	49 Å²	49	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-44.9	174.5	175.3	0	0	0	0	110.7	D188 P189 K190 A195 G197 I198 W204 I222	D188-V192 WeakPolarHBondContact O-CG2 3.2Å; D188-V192 PolarHBondContact O-N 3.23Å; P189-V192 PolarHBondContact O-N 3.41Å; K190-V192 VanDerWaalsContact C-N 3.33Å; K190-V192 PolarHBondContact O-N 3.19Å; V192-A195 PolarHBondContact O-N 3.47Å; V192-G197 VanDerWaalsContact O-CA 3.24Å; V192-G197 WeakPolarHBondContact O-CA 3.34Å; V192-G197 PolarHBondContact O-N 3.34Å; V192-I198 HydrophobicContact CG1-CD1 4.42Å; V192-I198 HydrophobicContact CG1-CG1 3.72Å; V192-W204 HydrophobicContact CG1-CH2 3.97Å; V192-W204 HydrophobicContact CG1-CZ2 4.01Å; V192-W204 HydrophobicContact CG2-CH2 4.21Å; V192-I222 HydrophobicContact CB-CG2 4.38Å; V192-I222 HydrophobicContact CG1-CG2 4.29Å; V192-I222 HydrophobicContact CG2-CG2 4.43Å
193	H	90.6	Very high	89.5	Confident	115 Å²	115	55.3 Å²	55.3	53%	0.532	31%	0.314	S	S	.	.	H	α-helix	trans	-67.7	-45.5	179.7	-169.2	69.3	0	0	0	112.4	P189 K190 E191 A195 G196	P189-H193 WeakPolarHBondContact O-CB 3.41Å; P189-H193 PolarHBondContact O-N 2.88Å; K190-H193 PolarHBondContact O-N 3.05Å; E191-H193 VanDerWaalsContact C-N 3.35Å; E191-H193 PolarHBondContact O-N 3.27Å; H193-A195 PolarHBondContact O-N 2.9Å; H193-G196 PolarHBondContact O-N 2.82Å
194	D	89.9	Confident	89.5	Confident	116 Å²	116	53.4 Å²	53.4	62%	0.62	31%	0.305	S	S	*	.	H	α-helix	trans	-61.1	-29.2	177.6	-69.1	-14.4	0	0	0	111.5	K190 G196	K190-D194 WeakPolarHBondContact O-CB 3.24Å; K190-D194 PolarHBondContact O-N 3.48Å; D194-G196 VanDerWaalsContact C-N 3.32Å; D194-G196 PolarHBondContact O-N 2.96Å
195	A	89	Confident	89.3	Confident	57 Å²	57	57.6 Å²	57.6	47%	0.471	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	10.1	176.7	0	0	0	0	0	114.9	E191 V192 H193 P251	E191-A195 VanDerWaalsContact O-CB 3.28Å; E191-A195 WeakPolarHBondContact O-CB 3.43Å; E191-A195 PolarHBondContact O-N 2.9Å; V192-A195 PolarHBondContact O-N 3.47Å; H193-A195 PolarHBondContact O-N 2.9Å; A195-P251 HydrophobicContact CB-CB 3.52Å; A195-P251 HydrophobicContact CB-CG 3.61Å
196	G	86.6	Confident	89.2	Confident	71 Å²	71	58.4 Å²	58.4	73%	0.732	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	99	8.8	177.9	0	0	0	0	0	115.1	H193 D194	H193-G196 PolarHBondContact O-N 2.82Å; D194-G196 VanDerWaalsContact C-N 3.32Å; D194-G196 PolarHBondContact O-N 2.96Å
197	G	87	Confident	89.1	Confident	17 Å²	17	56.2 Å²	56.2	18%	0.175	32%	0.322	C	S	.	.			trans	77.6	-166.3	175.6	0	0	0	0	0	114.6	V192	V192-G197 VanDerWaalsContact O-CA 3.24Å; V192-G197 WeakPolarHBondContact O-CA 3.34Å; V192-G197 PolarHBondContact O-N 3.34Å
198	I	84.2	Confident	89.1	Confident	37 Å²	37	56.3 Å²	56.3	19%	0.19	32%	0.323	C	S	.	.			trans	-90.6	113.8	-178	-60.7	171.2	0	0	0	108.3	V192 W204 L215 I222	V192-I198 HydrophobicContact CG1-CD1 4.42Å; V192-I198 HydrophobicContact CG1-CG1 3.72Å; I198-W204 HydrophobicContact CB-CD2 4.4Å; I198-W204 HydrophobicContact CB-CZ2 4.47Å; I198-W204 HydrophobicContact CD1-CH2 4.43Å; I198-W204 HydrophobicContact CD1-CZ3 4.32Å; I198-W204 HydrophobicContact CG1-CD2 4.43Å; I198-W204 HydrophobicContact CG1-CE3 4.3Å; I198-W204 HydrophobicContact CG1-CH2 3.78Å; I198-W204 HydrophobicContact CG1-CZ2 3.89Å; I198-W204 HydrophobicContact CG1-CZ3 3.99Å; I198-W204 HydrophobicContact CG2-CB 4.43Å; I198-W204 HydrophobicContact CG2-CD2 3.75Å; I198-W204 HydrophobicContact CG2-CE3 3.88Å; I198-W204 HydrophobicContact CG2-CG 4Å; I198-W204 HydrophobicContact CG2-CZ3 4.41Å; I198-L215 HydrophobicContact CG2-CD1 4.12Å; I198-I222 HydrophobicContact CD1-CB 3.81Å; I198-I222 HydrophobicContact CD1-CD1 3.65Å; I198-I222 HydrophobicContact CD1-CG1 4.28Å; I198-I222 HydrophobicContact CD1-CG2 4.01Å
199	S	78.5	Confident	89	Confident	68 Å²	68	62.2 Å²	62.2	48%	0.476	35%	0.354	S	S	.	.			trans	-94.4	155.2	178.1	62.2	0	0	0	0	111.5	G201 W204	S199-G201 PolarHBondContact O-N 3.47Å; S199-W204 VanDerWaalsContact O-CB 3.28Å; S199-W204 WeakPolarHBondContact O-CB 3.19Å; S199-W204 VanDerWaalsContact O-CD1 3.29Å
200	V	72.8	Confident	88.9	Confident	106 Å²	106	63 Å²	63	64%	0.642	36%	0.362	S	S	*	.	S	Bend	trans	-73.5	17.7	174	-168.6	0	0	0	0	112	K205	V200-K205 WeakPolarHBondContact O-CE 3.34Å; V200-K205 PolarHBondContact O-NZ 3.44Å
201	G	78.8	Confident	89	Confident	31 Å²	31	59.6 Å²	59.6	32%	0.32	35%	0.348	S	S	.	.	S	Bend	trans	-69.9	159.4	-179.9	0	0	0	0	0	113.1	S199 R203 W204 K205	S199-G201 PolarHBondContact O-N 3.47Å; G201-R203 PolarHBondContact O-N 3.18Å; G201-R203 VanDerWaalsContact O-N 3.09Å; G201-W204 PolarHBondContact O-N 3.06Å; G201-W204 VanDerWaalsContact O-N 3.13Å; G201-K205 PolarHBondContact O-N 2.95Å
202	D	88.1	Confident	89	Confident	132 Å²	132	63.6 Å²	63.6	71%	0.706	37%	0.371	S	S	*	.	H	α-helix	trans	-57.9	-29.7	-174.1	-60.7	-30.9	0	0	0	113.5	A206	D202-A206 VanDerWaalsContact O-CB 3.24Å; D202-A206 WeakPolarHBondContact O-CB 3.43Å; D202-A206 PolarHBondContact O-N 2.85Å
203	R	91.9	Very high	89	Confident	142 Å²	142	65.3 Å²	65.3	54%	0.536	38%	0.38	S	S	.	.	H	α-helix	trans	-69.2	-41.8	178.8	-65.1	-171.4	-82.1	162.2	-5.2	113.3	G201 A206 L207 L248 K249 L250	G201-R203 PolarHBondContact O-N 3.18Å; G201-R203 VanDerWaalsContact O-N 3.09Å; R203-A206 WeakPolarHBondContact O-CB 3.14Å; R203-A206 PolarHBondContact O-N 2.8Å; R203-L207 PolarHBondContact O-N 3.27Å; R203-L248 VanDerWaalsContact CD-O 3.26Å; R203-L248 WeakPolarHBondContact CD-O 3.31Å; R203-L248 PolarHBondContact NH1-O 3.24Å; R203-K249 PolarHBondContact NH1-O 3.47Å; R203-L250 HydrophobicContact CB-CD2 3.73Å; R203-L250 HydrophobicContact CB-CG 4.45Å
204	W	92.6	Very high	89.2	Confident	8 Å²	8	62.9 Å²	62.9	3%	0.03	38%	0.375	C	S	.	.	H	α-helix	trans	-70.7	-37.9	176.1	-79.5	109.9	0	0	0	111.1	V192 I198 S199 G201 A206 L207 A208 L215 I222 L250 I253	V192-W204 HydrophobicContact CG1-CH2 3.97Å; V192-W204 HydrophobicContact CG1-CZ2 4.01Å; V192-W204 HydrophobicContact CG2-CH2 4.21Å; I198-W204 HydrophobicContact CB-CD2 4.4Å; I198-W204 HydrophobicContact CB-CZ2 4.47Å; I198-W204 HydrophobicContact CD1-CH2 4.43Å; I198-W204 HydrophobicContact CD1-CZ3 4.32Å; I198-W204 HydrophobicContact CG1-CD2 4.43Å; I198-W204 HydrophobicContact CG1-CE3 4.3Å; I198-W204 HydrophobicContact CG1-CH2 3.78Å; I198-W204 HydrophobicContact CG1-CZ2 3.89Å; I198-W204 HydrophobicContact CG1-CZ3 3.99Å; I198-W204 HydrophobicContact CG2-CB 4.43Å; I198-W204 HydrophobicContact CG2-CD2 3.75Å; I198-W204 HydrophobicContact CG2-CE3 3.88Å; I198-W204 HydrophobicContact CG2-CG 4Å; I198-W204 HydrophobicContact CG2-CZ3 4.41Å; S199-W204 VanDerWaalsContact O-CB 3.28Å; S199-W204 WeakPolarHBondContact O-CB 3.19Å; S199-W204 VanDerWaalsContact O-CD1 3.29Å; G201-W204 PolarHBondContact O-N 3.06Å; G201-W204 VanDerWaalsContact O-N 3.13Å; W204-A206 VanDerWaalsContact C-N 3.33Å; W204-A206 PolarHBondContact O-N 2.91Å; W204-L207 HydrophobicContact CE3-CD2 4Å; W204-L207 HydrophobicContact CZ3-CD2 3.89Å; W204-L207 PolarHBondContact O-N 3.34Å; W204-A208 WeakPolarHBondContact O-CB 3.32Å; W204-A208 PolarHBondContact O-N 2.88Å; W204-L215 HydrophobicContact CB-CD1 4Å; W204-I222 HydrophobicContact CH2-CD1 4.4Å; W204-I222 HydrophobicContact CZ3-CD1 4.04Å; W204-L250 HydrophobicContact CD2-CD1 4.39Å; W204-L250 HydrophobicContact CD2-CD2 4.05Å; W204-L250 HydrophobicContact CE3-CD1 4.31Å; W204-L250 HydrophobicContact CG-CD2 4.16Å; W204-L250 HydrophobicContact CZ2-CD2 4.42Å; W204-I253 HydrophobicContact CH2-CD1 3.99Å; W204-I253 HydrophobicContact CH2-CG1 4.09Å; W204-I253 HydrophobicContact CZ3-CD1 4.11Å; W204-I253 HydrophobicContact CZ3-CG1 4.33Å
205	K	92.5	Very high	89.3	Confident	88 Å²	88	59.1 Å²	59.1	38%	0.383	35%	0.354	S	S	.	.	H	α-helix	trans	-60.6	-41.8	170	-69.3	175.5	179.4	164.5	0	111.7	V200 G201 L207 A208 N209 L215	V200-K205 WeakPolarHBondContact O-CE 3.34Å; V200-K205 PolarHBondContact O-NZ 3.44Å; G201-K205 PolarHBondContact O-N 2.95Å; K205-L207 PolarHBondContact O-N 2.96Å; K205-A208 PolarHBondContact O-N 3.24Å; K205-N209 WeakPolarHBondContact O-CB 3.13Å; K205-N209 PolarHBondContact O-N 3.42Å; K205-N209 PolarHBondContact O-ND2 3.43Å; K205-L215 HydrophobicContact CG-CD2 3.99Å
206	A	93.1	Very high	89.4	Confident	17 Å²	17	61.4 Å²	61.4	14%	0.14	36%	0.358	C	S	.	.	H	α-helix	trans	-63.3	-40	176.5	0	0	0	0	0	112.4	D202 R203 W204 A210 L248	D202-A206 VanDerWaalsContact O-CB 3.24Å; D202-A206 WeakPolarHBondContact O-CB 3.43Å; D202-A206 PolarHBondContact O-N 2.85Å; R203-A206 WeakPolarHBondContact O-CB 3.14Å; R203-A206 PolarHBondContact O-N 2.8Å; W204-A206 VanDerWaalsContact C-N 3.33Å; W204-A206 PolarHBondContact O-N 2.91Å; A206-A210 VanDerWaalsContact O-CB 3.29Å; A206-A210 WeakPolarHBondContact O-CB 3.33Å; A206-A210 PolarHBondContact O-N 3.1Å; A206-L248 HydrophobicContact CB-CD1 4.24Å; A206-L248 HydrophobicContact CB-CD2 3.95Å
207	L	94.1	Very high	89.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-63.7	-49.2	172.7	178.2	65.3	0	0	0	111.3	R203 W204 K205 N209 A210 L211 L218 L233 I245 L248 L250 I253	R203-L207 PolarHBondContact O-N 3.27Å; W204-L207 HydrophobicContact CE3-CD2 4Å; W204-L207 HydrophobicContact CZ3-CD2 3.89Å; W204-L207 PolarHBondContact O-N 3.34Å; K205-L207 PolarHBondContact O-N 2.96Å; L207-N209 VanDerWaalsContact C-N 3.33Å; L207-N209 PolarHBondContact O-N 3.18Å; L207-A210 PolarHBondContact O-N 3.17Å; L207-L211 HydrophobicContact CD1-CD1 3.92Å; L207-L211 HydrophobicContact CD1-CG 4.07Å; L207-L211 HydrophobicContact CG-CD1 4.1Å; L207-L211 HydrophobicContact CG-CG 4.48Å; L207-L211 WeakPolarHBondContact O-CB 3.45Å; L207-L211 WeakPolarHBondContact O-CG 3.41Å; L207-L211 PolarHBondContact O-N 3.21Å; L207-L218 HydrophobicContact CD2-CD2 4.07Å; L207-L218 HydrophobicContact CG-CD2 4.19Å; L207-L233 HydrophobicContact CD2-CD1 4.32Å; L207-I245 HydrophobicContact CD1-CD1 3.77Å; L207-I245 HydrophobicContact CD1-CG1 3.95Å; L207-I245 HydrophobicContact CD1-CG2 3.83Å; L207-L248 HydrophobicContact CB-CD1 4.07Å; L207-L250 HydrophobicContact CB-CD1 3.75Å; L207-L250 HydrophobicContact CD2-CD1 3.66Å; L207-L250 HydrophobicContact CG-CD1 4.23Å; L207-I253 HydrophobicContact CD2-CD1 4.21Å; L207-I253 HydrophobicContact CD2-CG1 4.17Å
208	A	93.5	Very high	90.1	Very high	3 Å²	3	62.6 Å²	62.6	3%	0.025	34%	0.341	C	S	.	.	H	α-helix	trans	-56	-46.8	178.1	0	0	0	0	0	111.7	W204 K205 L211 N212 I213 L215 L218	W204-A208 WeakPolarHBondContact O-CB 3.32Å; W204-A208 PolarHBondContact O-N 2.88Å; K205-A208 PolarHBondContact O-N 3.24Å; A208-L211 PolarHBondContact O-N 3.43Å; A208-N212 PolarHBondContact O-N 3.47Å; A208-I213 CarbonylContact C-O 3.57Å; A208-I213 WeakPolarHBondContact CA-O 3.26Å; A208-I213 VanDerWaalsContact CB-O 3.3Å; A208-I213 WeakPolarHBondContact CB-O 3.45Å; A208-I213 PolarHBondContact O-N 2.86Å; A208-I213 VanDerWaalsContact O-O 3.13Å; A208-L215 HydrophobicContact CB-CB 4.02Å; A208-L215 HydrophobicContact CB-CD1 4.19Å; A208-L218 HydrophobicContact CB-CD2 4.17Å
209	N	93.4	Very high	90.4	Very high	130 Å²	130	62.3 Å²	62.3	70%	0.695	34%	0.341	S	S	*	.	H	α-helix	trans	-63.3	-44.8	176.3	-70	-13.5	0	0	0	112.2	K205 L207 L211 N212	K205-N209 WeakPolarHBondContact O-CB 3.13Å; K205-N209 PolarHBondContact O-N 3.42Å; K205-N209 PolarHBondContact O-ND2 3.43Å; L207-N209 VanDerWaalsContact C-N 3.33Å; L207-N209 PolarHBondContact O-N 3.18Å; N209-L211 VanDerWaalsContact C-N 3.28Å; N209-L211 PolarHBondContact O-N 3.27Å; N209-N212 PolarHBondContact O-N 2.83Å; N209-N212 VanDerWaalsContact O-N 3.11Å
210	A	93.3	Very high	91.1	Very high	24 Å²	24	62 Å²	62	20%	0.198	34%	0.343	C	S	.	.	H	α-helix	trans	-63.7	-34.5	179.1	0	0	0	0	0	112.6	A206 L207 N212 M241 Y244 I245	A206-A210 VanDerWaalsContact O-CB 3.29Å; A206-A210 WeakPolarHBondContact O-CB 3.33Å; A206-A210 PolarHBondContact O-N 3.1Å; L207-A210 PolarHBondContact O-N 3.17Å; A210-N212 VanDerWaalsContact C-N 3.33Å; A210-M241 VanDerWaalsContact O-CE 3.32Å; A210-M241 WeakPolarHBondContact O-CE 3.48Å; A210-Y244 HydrophobicContact CB-CD1 4.28Å; A210-Y244 HydrophobicContact CB-CE1 4.11Å; A210-I245 HydrophobicContact CB-CD1 4.14Å; A210-I245 HydrophobicContact CB-CG1 4.37Å
211	L	93.2	Very high	92	Very high	23 Å²	23	61.9 Å²	61.9	12%	0.12	33%	0.331	C	S	.	.	H	α-helix	trans	-83.1	-8.7	176.2	-65	-174.7	0	0	0	113.6	I185 L207 A208 N209 I213 L218 L233 A234 I245	I185-L211 HydrophobicContact CD1-CD2 3.63Å; L207-L211 HydrophobicContact CD1-CD1 3.92Å; L207-L211 HydrophobicContact CD1-CG 4.07Å; L207-L211 HydrophobicContact CG-CD1 4.1Å; L207-L211 HydrophobicContact CG-CG 4.48Å; L207-L211 WeakPolarHBondContact O-CB 3.45Å; L207-L211 WeakPolarHBondContact O-CG 3.41Å; L207-L211 PolarHBondContact O-N 3.21Å; A208-L211 PolarHBondContact O-N 3.43Å; N209-L211 VanDerWaalsContact C-N 3.28Å; N209-L211 PolarHBondContact O-N 3.27Å; L211-I213 HydrophobicContact CB-CD1 4.14Å; L211-I213 HydrophobicContact CB-CG1 4.19Å; L211-I213 PolarHBondContact O-N 3.46Å; L211-L218 HydrophobicContact CD1-CD1 4.32Å; L211-L233 HydrophobicContact CD1-CB 3.85Å; L211-L233 HydrophobicContact CD1-CD1 4.36Å; L211-A234 HydrophobicContact CD2-CB 3.62Å; L211-I245 HydrophobicContact CD2-CD1 4.14Å
212	N	93	Very high	92.7	Very high	150 Å²	150	60.4 Å²	60.4	80%	0.802	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	40.5	-170.9	-164.4	39.8	0	0	0	112.8	A208 N209 A210	A208-N212 PolarHBondContact O-N 3.47Å; N209-N212 PolarHBondContact O-N 2.83Å; N209-N212 VanDerWaalsContact O-N 3.11Å; A210-N212 VanDerWaalsContact C-N 3.33Å
213	I	93.1	Very high	92.9	Very high	37 Å²	37	57.7 Å²	57.7	19%	0.19	30%	0.301	C	S	.	.			trans	-121.9	125.5	176.3	-59.7	171.3	0	0	0	107.3	A208 L211 L215 Q217 L218	A208-I213 CarbonylContact C-O 3.57Å; A208-I213 WeakPolarHBondContact CA-O 3.26Å; A208-I213 VanDerWaalsContact CB-O 3.3Å; A208-I213 WeakPolarHBondContact CB-O 3.45Å; A208-I213 PolarHBondContact O-N 2.86Å; A208-I213 VanDerWaalsContact O-O 3.13Å; L211-I213 HydrophobicContact CB-CD1 4.14Å; L211-I213 HydrophobicContact CB-CG1 4.19Å; L211-I213 PolarHBondContact O-N 3.46Å; I213-L215 PolarHBondContact O-N 3.29Å; I213-Q217 HydrophobicContact CG2-CB 3.92Å; I213-L218 HydrophobicContact CG2-CB 4.13Å
214	P	94.2	Very high	92.9	Very high	64 Å²	64	55 Å²	55	42%	0.416	31%	0.309	S	S	.	.			trans	-51.9	138.9	174.1	-29.2	37.8	0	0	0	112.3	D216 Q217 L218	P214-D216 VanDerWaalsContact C-N 3.25Å; P214-D216 WeakPolarHBondContact CB-OD1 3.49Å; P214-D216 PolarHBondContact O-N 2.95Å; P214-Q217 HydrophobicContact CB-CB 4.41Å; P214-Q217 HydrophobicContact CB-CG 4.17Å; P214-Q217 HydrophobicContact CG-CG 4.46Å; P214-Q217 WeakPolarHBondContact O-CB 3.37Å; P214-Q217 PolarHBondContact O-N 3.39Å; P214-L218 PolarHBondContact O-N 3.08Å
215	L	92.3	Very high	92.8	Very high	36 Å²	36	59.1 Å²	59.1	19%	0.188	33%	0.332	C	S	.	.	H	α-helix	trans	-59.5	-36.6	-172.4	177.7	61.6	0	0	0	112.6	I198 W204 K205 A208 I213 L218 S219	I198-L215 HydrophobicContact CG2-CD1 4.12Å; W204-L215 HydrophobicContact CB-CD1 4Å; K205-L215 HydrophobicContact CG-CD2 3.99Å; A208-L215 HydrophobicContact CB-CB 4.02Å; A208-L215 HydrophobicContact CB-CD1 4.19Å; I213-L215 PolarHBondContact O-N 3.29Å; L215-L218 PolarHBondContact O-N 3.44Å; L215-S219 VanDerWaalsContact O-CB 3.31Å; L215-S219 WeakPolarHBondContact O-CB 3.22Å; L215-S219 PolarHBondContact O-N 3.06Å; L215-S219 PolarHBondContact O-OG 3.01Å
216	D	92.2	Very high	92.6	Very high	105 Å²	105	57.7 Å²	57.7	56%	0.561	33%	0.332	S	S	*	.	H	α-helix	trans	-59.7	-48.2	173.4	61.8	-45.3	0	0	0	111.4	P214 S219 A220	P214-D216 VanDerWaalsContact C-N 3.25Å; P214-D216 WeakPolarHBondContact CB-OD1 3.49Å; P214-D216 PolarHBondContact O-N 2.95Å; D216-S219 PolarHBondContact O-N 2.93Å; D216-S219 PolarHBondContact O-OG 3.14Å; D216-A220 WeakPolarHBondContact O-CB 3.45Å; D216-A220 PolarHBondContact O-N 2.93Å
217	Q	93.3	Very high	92.4	Very high	114 Å²	114	65.8 Å²	65.8	53%	0.533	36%	0.364	S	S	.	.	H	α-helix	trans	-65.3	-41	177	-65.1	-177.2	18.4	0	0	112.2	I213 P214 S219 A220 R221	I213-Q217 HydrophobicContact CG2-CB 3.92Å; P214-Q217 HydrophobicContact CB-CB 4.41Å; P214-Q217 HydrophobicContact CB-CG 4.17Å; P214-Q217 HydrophobicContact CG-CG 4.46Å; P214-Q217 WeakPolarHBondContact O-CB 3.37Å; P214-Q217 PolarHBondContact O-N 3.39Å; Q217-S219 VanDerWaalsContact C-N 3.3Å; Q217-S219 PolarHBondContact O-N 2.77Å; Q217-A220 PolarHBondContact O-N 2.82Å; Q217-R221 VanDerWaalsContact O-CB 3.31Å; Q217-R221 WeakPolarHBondContact O-CB 3.48Å; Q217-R221 PolarHBondContact O-N 2.82Å
218	L	93.2	Very high	92.2	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-60.4	-43.8	174.8	-178.4	64.1	0	0	0	110.6	L207 A208 L211 I213 P214 L215 R221 I222 L233	L207-L218 HydrophobicContact CD2-CD2 4.07Å; L207-L218 HydrophobicContact CG-CD2 4.19Å; A208-L218 HydrophobicContact CB-CD2 4.17Å; L211-L218 HydrophobicContact CD1-CD1 4.32Å; I213-L218 HydrophobicContact CG2-CB 4.13Å; P214-L218 PolarHBondContact O-N 3.08Å; L215-L218 PolarHBondContact O-N 3.44Å; L218-R221 PolarHBondContact O-N 2.91Å; L218-I222 HydrophobicContact CD1-CD1 4.26Å; L218-I222 HydrophobicContact CG-CD1 4.27Å; L218-I222 WeakPolarHBondContact O-CG1 3.31Å; L218-I222 PolarHBondContact O-N 3.43Å; L218-I222 VanDerWaalsContact O-N 3.12Å; L218-L233 HydrophobicContact CD1-CD1 4.15Å; L218-L233 HydrophobicContact CD1-CD2 3.86Å; L218-L233 HydrophobicContact CD1-CG 4.45Å
219	S	91.7	Very high	92	Very high	30 Å²	30	72.8 Å²	72.8	21%	0.21	39%	0.393	C	S	.	.	H	α-helix	trans	-66	-44.1	178.9	76.1	0	0	0	0	112.6	L215 D216 Q217 R221 I222 N223	L215-S219 VanDerWaalsContact O-CB 3.31Å; L215-S219 WeakPolarHBondContact O-CB 3.22Å; L215-S219 PolarHBondContact O-N 3.06Å; L215-S219 PolarHBondContact O-OG 3.01Å; D216-S219 PolarHBondContact O-N 2.93Å; D216-S219 PolarHBondContact O-OG 3.14Å; Q217-S219 VanDerWaalsContact C-N 3.3Å; Q217-S219 PolarHBondContact O-N 2.77Å; S219-R221 VanDerWaalsContact C-N 3.31Å; S219-R221 PolarHBondContact O-N 2.83Å; S219-I222 PolarHBondContact O-N 2.89Å; S219-N223 VanDerWaalsContact O-CB 3.26Å; S219-N223 WeakPolarHBondContact O-CB 3.43Å; S219-N223 VanDerWaalsContact O-CG 3.29Å; S219-N223 PolarHBondContact O-N 3.25Å; S219-N223 PolarHBondContact O-ND2 2.66Å
220	A	92.6	Very high	92	Very high	61 Å²	61	70.9 Å²	70.9	50%	0.504	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-40.5	175.7	0	0	0	0	0	111.4	D216 Q217 N223 A224	D216-A220 WeakPolarHBondContact O-CB 3.45Å; D216-A220 PolarHBondContact O-N 2.93Å; Q217-A220 PolarHBondContact O-N 2.82Å; A220-N223 PolarHBondContact O-N 2.77Å; A220-A224 WeakPolarHBondContact O-CB 3.43Å; A220-A224 PolarHBondContact O-N 2.85Å
221	R	92.4	Very high	92	Very high	105 Å²	105	71.7 Å²	71.7	40%	0.396	38%	0.379	S	S	.	.	H	α-helix	trans	-63.4	-42.6	178.5	-173	175.2	-176.4	-172.8	2	112.4	Q217 L218 S219 I231 Y232 L233	Q217-R221 VanDerWaalsContact O-CB 3.31Å; Q217-R221 WeakPolarHBondContact O-CB 3.48Å; Q217-R221 PolarHBondContact O-N 2.82Å; L218-R221 PolarHBondContact O-N 2.91Å; S219-R221 VanDerWaalsContact C-N 3.31Å; S219-R221 PolarHBondContact O-N 2.83Å; R221-I231 HydrophobicContact CG-CD1 3.65Å; R221-I231 VanDerWaalsContact O-CD1 3.26Å; R221-I231 WeakPolarHBondContact O-CD1 3.26Å; R221-Y232 PolarHBondContact NE-O 3.15Å; R221-Y232 PolarHBondContact NH2-O 3.21Å; R221-L233 PolarHBondContact NH1-O 2.95Å
222	I	92.7	Very high	92.1	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-72.1	-43.3	177.6	-66.5	169	0	0	0	110.6	A187 P189 V192 I198 W204 L218 S219 A224 L233	A187-I222 HydrophobicContact CB-CD1 4.21Å; A187-I222 HydrophobicContact CB-CG1 4.2Å; P189-I222 HydrophobicContact CB-CG2 4.22Å; P189-I222 HydrophobicContact CG-CG2 4.4Å; V192-I222 HydrophobicContact CB-CG2 4.38Å; V192-I222 HydrophobicContact CG1-CG2 4.29Å; V192-I222 HydrophobicContact CG2-CG2 4.43Å; I198-I222 HydrophobicContact CD1-CB 3.81Å; I198-I222 HydrophobicContact CD1-CD1 3.65Å; I198-I222 HydrophobicContact CD1-CG1 4.28Å; I198-I222 HydrophobicContact CD1-CG2 4.01Å; W204-I222 HydrophobicContact CH2-CD1 4.4Å; W204-I222 HydrophobicContact CZ3-CD1 4.04Å; L218-I222 HydrophobicContact CD1-CD1 4.26Å; L218-I222 HydrophobicContact CG-CD1 4.27Å; L218-I222 WeakPolarHBondContact O-CG1 3.31Å; L218-I222 PolarHBondContact O-N 3.43Å; L218-I222 VanDerWaalsContact O-N 3.12Å; S219-I222 PolarHBondContact O-N 2.89Å; I222-A224 VanDerWaalsContact C-N 3.26Å; I222-A224 PolarHBondContact O-N 2.7Å; I222-L233 HydrophobicContact CD1-CD1 4.37Å; I222-L233 HydrophobicContact CD1-CD2 4.13Å; I222-L233 HydrophobicContact CG1-CD2 3.9Å
223	N	92.4	Very high	92.1	Very high	75 Å²	75	66.7 Å²	66.7	40%	0.401	35%	0.348	S	S	.	.	H	α-helix	trans	-76	-8.1	-178.4	-68.8	-26.9	0	0	0	114.1	S219 A220 N225 P226	S219-N223 VanDerWaalsContact O-CB 3.26Å; S219-N223 WeakPolarHBondContact O-CB 3.43Å; S219-N223 VanDerWaalsContact O-CG 3.29Å; S219-N223 PolarHBondContact O-N 3.25Å; S219-N223 PolarHBondContact O-ND2 2.66Å; A220-N223 PolarHBondContact O-N 2.77Å; N223-N225 PolarHBondContact O-N 3.45Å; N223-P226 VanDerWaalsContact O-CD 3.27Å; N223-P226 WeakPolarHBondContact O-CD 3.3Å; N223-P226 WeakPolarHBondContact O-CG 3.49Å
224	A	91.7	Very high	92.2	Very high	84 Å²	84	66 Å²	66	69%	0.694	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-30	177	0	0	0	0	0	112.7	A220 I222	A220-A224 WeakPolarHBondContact O-CB 3.43Å; A220-A224 PolarHBondContact O-N 2.85Å; I222-A224 VanDerWaalsContact C-N 3.26Å; I222-A224 PolarHBondContact O-N 2.7Å
225	N	90.7	Very high	92.2	Very high	95 Å²	95	66.4 Å²	66.4	51%	0.508	34%	0.341	S	S	.	.			trans	-141.1	87	171.2	-175.1	0.9	0	0	0	110.7	P189 N223 K227 G228	P189-N225 WeakPolarHBondContact CB-O 3.34Å; N223-N225 PolarHBondContact O-N 3.45Å; N225-K227 PolarHBondContact O-N 2.89Å; N225-K227 PolarHBondContact OD1-N 3.33Å; N225-G228 WeakPolarHBondContact O-CA 3.15Å; N225-G228 PolarHBondContact O-N 3.22Å; N225-G228 PolarHBondContact OD1-N 2.92Å
226	P	88.5	Confident	92.2	Very high	59 Å²	59	66.4 Å²	66.4	38%	0.383	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.5	-176.2	-21.9	34.2	0	0	0	113.9	K190 N223 G228	K190-P226 WeakPolarHBondContact CA-O 3.18Å; K190-P226 PolarHBondContact N-O 3.39Å; N223-P226 VanDerWaalsContact O-CD 3.27Å; N223-P226 WeakPolarHBondContact O-CD 3.3Å; N223-P226 WeakPolarHBondContact O-CG 3.49Å; P226-G228 VanDerWaalsContact C-N 3.32Å
227	K	89.8	Confident	92.3	Very high	186 Å²	186	62 Å²	62	81%	0.809	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-5	174.7	-62.9	-175.8	-178.5	179.2	0	112.5	N225	N225-K227 PolarHBondContact O-N 2.89Å; N225-K227 PolarHBondContact OD1-N 3.33Å
228	G	88.6	Confident	92.3	Very high	11 Å²	11	61 Å²	61	11%	0.113	32%	0.315	C	S	.	.			trans	-62.1	148.6	177.1	0	0	0	0	0	111.4	P189 K190 N225 P226	P189-G228 VanDerWaalsContact CD-O 3.31Å; P189-G228 WeakPolarHBondContact CD-O 3.43Å; K190-G228 PolarHBondContact N-O 3.2Å; K190-G228 VanDerWaalsContact N-O 3.1Å; N225-G228 WeakPolarHBondContact O-CA 3.15Å; N225-G228 PolarHBondContact O-N 3.22Å; N225-G228 PolarHBondContact OD1-N 2.92Å; P226-G228 VanDerWaalsContact C-N 3.32Å
229	R	90.5	Very high	92.3	Very high	140 Å²	140	63.6 Å²	63.6	53%	0.528	33%	0.332	S	S	.	.	S	Bend	trans	-109.3	-3.1	178.1	-62.6	-66.4	-68.8	157.6	0.2	113	D188	D188-R229 IonicContact OD1-CZ 2.65Å; D188-R229 IonicContact OD1-NE 3.17Å; D188-R229 IonicContact OD1-NH1 2.74Å; D188-R229 PolarHBondContact OD1-NH1 3.04Å; D188-R229 IonicContact OD2-CZ 3.94Å; D188-R229 IonicContact OD2-NE 3.27Å; D188-R229 PolarHBondContact OD2-NE 2.92Å; D188-R229 IonicContact OD2-NH1 3.87Å; D188-R229 PolarHBondContact OD2-NH1 3.17Å; D188-R229 IonicContact OD2-NH2 3.08Å; D188-R229 PolarHBondContact OD2-NH2 3.3Å
230	F	91.7	Very high	92.4	Very high	90 Å²	90	68.5 Å²	68.5	40%	0.395	36%	0.356	S	S	.	.			trans	-161	130	-175.6	-171.2	-93	0	0	0	111.7	W186 A187 Y232	W186-F230 HydrophobicContact CB-CD2 4.42Å; W186-F230 HydrophobicContact CB-CE2 3.8Å; W186-F230 HydrophobicContact CB-CZ 4.02Å; W186-F230 AromaticContact CD2-CD2 3.68Å; W186-F230 HydrophobicContact CD2-CD2 3.68Å; W186-F230 AromaticContact CD2-CE2 3.46Å; W186-F230 HydrophobicContact CD2-CE2 3.46Å; W186-F230 VanDerWaalsContact CD2-CE2 3.46Å; W186-F230 AromaticContact CE3-CD2 3.31Å; W186-F230 HydrophobicContact CE3-CD2 3.31Å; W186-F230 AromaticContact CE3-CE2 3.64Å; W186-F230 HydrophobicContact CE3-CE2 3.64Å; W186-F230 HydrophobicContact CE3-CG 4.27Å; W186-F230 HydrophobicContact CG-CD2 4.19Å; W186-F230 AromaticContact CG-CE2 3.55Å; W186-F230 HydrophobicContact CG-CE2 3.55Å; W186-F230 HydrophobicContact CG-CZ 4.2Å; W186-F230 AromaticContact CZ3-CD2 3.8Å; W186-F230 HydrophobicContact CZ3-CD2 3.8Å; W186-F230 HydrophobicContact CZ3-CE2 4.4Å; A187-F230 CarbonylContact O-C 3.48Å; A187-F230 WeakPolarHBondContact O-CA 3.33Å; F230-Y232 HydrophobicContact CE1-CD1 4.12Å; F230-Y232 AromaticContact CE1-CD2 3.83Å; F230-Y232 HydrophobicContact CE1-CD2 3.83Å; F230-Y232 AromaticContact CE1-CE1 3.86Å; F230-Y232 HydrophobicContact CE1-CE1 3.86Å; F230-Y232 AromaticContact CE1-CE2 3.54Å; F230-Y232 HydrophobicContact CE1-CE2 3.54Å; F230-Y232 HydrophobicContact CE1-CG 4.1Å; F230-Y232 AromaticContact CE1-CZ 3.53Å; F230-Y232 AromaticContact CZ-CD1 3.86Å; F230-Y232 HydrophobicContact CZ-CD1 3.86Å; F230-Y232 HydrophobicContact CZ-CD2 4.38Å; F230-Y232 AromaticContact CZ-CE1 3.43Å; F230-Y232 HydrophobicContact CZ-CE1 3.43Å; F230-Y232 VanDerWaalsContact CZ-CE1 3.43Å; F230-Y232 AromaticContact CZ-CE2 4Å; F230-Y232 HydrophobicContact CZ-CE2 4Å; F230-Y232 HydrophobicContact CZ-CG 4.31Å; F230-Y232 AromaticContact CZ-CZ 3.48Å; F230-Y232 VanDerWaalsContact CZ-CZ 3.48Å
231	I	94	Very high	92.4	Very high	41 Å²	41	69 Å²	69	21%	0.21	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	132	165.7	-174.8	167.2	0	0	0	109.6	W186 A187 P189 R221 L233	W186-I231 CarbonylContact C-O 3.56Å; W186-I231 WeakPolarHBondContact CA-O 3.48Å; W186-I231 WeakPolarHBondContact CB-O 3.45Å; A187-I231 HydrophobicContact CB-CG2 3.82Å; A187-I231 PolarHBondContact N-O 3.15Å; A187-I231 PolarHBondContact O-N 2.88Å; P189-I231 HydrophobicContact CG-CG2 3.94Å; R221-I231 HydrophobicContact CG-CD1 3.65Å; R221-I231 VanDerWaalsContact O-CD1 3.26Å; R221-I231 WeakPolarHBondContact O-CD1 3.26Å; I231-L233 HydrophobicContact CG2-CD2 4.37Å
232	Y	94.9	Very high	92.5	Very high	63 Å²	63	64 Å²	64	25%	0.247	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.3	170.2	-65.8	-71.4	0	0	0	110.3	A184 W186 R221 F230 R235 R256	A184-Y232 HydrophobicContact CB-CD1 4.24Å; A184-Y232 HydrophobicContact CB-CE1 4.25Å; W186-Y232 HydrophobicContact CB-CD1 4.34Å; R221-Y232 PolarHBondContact NE-O 3.15Å; R221-Y232 PolarHBondContact NH2-O 3.21Å; F230-Y232 HydrophobicContact CE1-CD1 4.12Å; F230-Y232 AromaticContact CE1-CD2 3.83Å; F230-Y232 HydrophobicContact CE1-CD2 3.83Å; F230-Y232 AromaticContact CE1-CE1 3.86Å; F230-Y232 HydrophobicContact CE1-CE1 3.86Å; F230-Y232 AromaticContact CE1-CE2 3.54Å; F230-Y232 HydrophobicContact CE1-CE2 3.54Å; F230-Y232 HydrophobicContact CE1-CG 4.1Å; F230-Y232 AromaticContact CE1-CZ 3.53Å; F230-Y232 AromaticContact CZ-CD1 3.86Å; F230-Y232 HydrophobicContact CZ-CD1 3.86Å; F230-Y232 HydrophobicContact CZ-CD2 4.38Å; F230-Y232 AromaticContact CZ-CE1 3.43Å; F230-Y232 HydrophobicContact CZ-CE1 3.43Å; F230-Y232 VanDerWaalsContact CZ-CE1 3.43Å; F230-Y232 AromaticContact CZ-CE2 4Å; F230-Y232 HydrophobicContact CZ-CE2 4Å; F230-Y232 HydrophobicContact CZ-CG 4.31Å; F230-Y232 AromaticContact CZ-CZ 3.48Å; F230-Y232 VanDerWaalsContact CZ-CZ 3.48Å; Y232-R235 HydrophobicContact CD1-CG 4.42Å; Y232-R235 VanDerWaalsContact CE1-CD 3.45Å; Y232-R235 HydrophobicContact CG-CG 4.4Å; Y232-R256 VanDerWaalsContact CZ-NH2 3.27Å; Y232-R256 PolarHBondContact OH-NH1 3.46Å; Y232-R256 PolarHBondContact OH-NH2 3.35Å
233	L	94.4	Very high	92.6	Very high	5 Å²	5	67.1 Å²	67.1	3%	0.026	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-46.5	167.9	-57.6	-174.2	0	0	0	110	I185 A187 L207 L211 L218 R221 I222 I231 I253	I185-L233 HydrophobicContact CG2-CB 4.18Å; I185-L233 HydrophobicContact CG2-CD1 4.17Å; I185-L233 PolarHBondContact O-N 3.45Å; A187-L233 HydrophobicContact CB-CD1 4.01Å; A187-L233 HydrophobicContact CB-CD2 4.15Å; A187-L233 HydrophobicContact CB-CG 4.11Å; L207-L233 HydrophobicContact CD2-CD1 4.32Å; L211-L233 HydrophobicContact CD1-CB 3.85Å; L211-L233 HydrophobicContact CD1-CD1 4.36Å; L218-L233 HydrophobicContact CD1-CD1 4.15Å; L218-L233 HydrophobicContact CD1-CD2 3.86Å; L218-L233 HydrophobicContact CD1-CG 4.45Å; R221-L233 PolarHBondContact NH1-O 2.95Å; I222-L233 HydrophobicContact CD1-CD1 4.37Å; I222-L233 HydrophobicContact CD1-CD2 4.13Å; I222-L233 HydrophobicContact CG1-CD2 3.9Å; I231-L233 HydrophobicContact CG2-CD2 4.37Å; L233-I253 HydrophobicContact CD1-CD1 3.76Å
234	A	94.3	Very high	92.8	Very high	23 Å²	23	69 Å²	69	19%	0.19	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	145.8	173.9	0	0	0	0	0	111.4	A184 I185 L211 V237	A184-A234 WeakPolarHBondContact CA-O 3.39Å; I185-A234 HydrophobicContact CD1-CB 4.32Å; I185-A234 PolarHBondContact N-O 2.77Å; I185-A234 PolarHBondContact O-N 2.9Å; I185-A234 VanDerWaalsContact O-N 3.14Å; L211-A234 HydrophobicContact CD2-CB 3.62Å; A234-V237 HydrophobicContact CB-CG1 3.75Å
235	R	94.3	Very high	92.9	Very high	71 Å²	71	65.3 Å²	65.3	27%	0.268	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	152.6	177.6	-61.8	-71	-59.8	-88.5	-3.6	109.3	Y232 V237 E258 D279	Y232-R235 HydrophobicContact CD1-CG 4.42Å; Y232-R235 VanDerWaalsContact CE1-CD 3.45Å; Y232-R235 HydrophobicContact CG-CG 4.4Å; R235-V237 VanDerWaalsContact C-N 3.3Å; R235-V237 PolarHBondContact O-N 3.5Å; R235-E258 IonicContact CZ-OE1 3.24Å; R235-E258 VanDerWaalsContact CZ-OE1 3.31Å; R235-E258 IonicContact CZ-OE2 2.92Å; R235-E258 IonicContact NE-OE1 3.81Å; R235-E258 PolarHBondContact NE-OE1 3.42Å; R235-E258 IonicContact NE-OE2 3.44Å; R235-E258 PolarHBondContact NE-OE2 3.43Å; R235-E258 IonicContact NH2-OE1 2.74Å; R235-E258 PolarHBondContact NH2-OE1 2.93Å; R235-E258 IonicContact NH2-OE2 2.86Å; R235-D279 IonicContact CZ-OD1 3.94Å; R235-D279 IonicContact NH1-OD1 2.87Å; R235-D279 PolarHBondContact NH1-OD1 3.01Å; R235-D279 VanDerWaalsContact NH1-OD1 3.12Å; R235-D279 IonicContact NH2-OD1 3.9Å; R235-D279 PolarHBondContact NH2-OD1 3.49Å
236	Q	92.5	Very high	93.1	Very high	36 Å²	36	67.5 Å²	67.5	17%	0.168	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	50.7	41.2	172.1	-57.1	-177.8	-11.3	0	0	115.6	V182 K183 E258 R260 V278	V182-Q236 HydrophobicContact CG2-CB 3.99Å; V182-Q236 HydrophobicContact CG2-CG 4.15Å; K183-Q236 CarbonylContact O-C 3.38Å; K183-Q236 PolarHBondContact O-N 3.32Å; Q236-E258 PolarHBondContact N-OE2 3.35Å; Q236-R260 HydrophobicContact CB-CB 4.27Å; Q236-R260 HydrophobicContact CG-CB 4.26Å; Q236-V278 PolarHBondContact NE2-O 2.91Å
237	V	93.8	Very high	93.4	Very high	13 Å²	13	72.5 Å²	72.5	8%	0.079	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	145.5	174.9	-63.3	0	0	0	0	111.7	V182 K183 I185 A234 R235 M241 A242	V182-V237 WeakPolarHBondContact CB-O 3.34Å; K183-V237 HydrophobicContact CB-CG2 4.29Å; K183-V237 PolarHBondContact N-O 2.88Å; K183-V237 WeakPolarHBondContact O-CG2 3.18Å; K183-V237 PolarHBondContact O-N 2.82Å; I185-V237 HydrophobicContact CD1-CB 4.25Å; I185-V237 HydrophobicContact CD1-CG1 3.79Å; I185-V237 HydrophobicContact CD1-CG2 3.67Å; I185-V237 HydrophobicContact CG1-CG2 3.9Å; A234-V237 HydrophobicContact CB-CG1 3.75Å; R235-V237 VanDerWaalsContact C-N 3.3Å; R235-V237 PolarHBondContact O-N 3.5Å; V237-M241 HydrophobicContact CB-SD 3.98Å; V237-M241 HydrophobicContact CG1-SD 3.82Å; V237-A242 HydrophobicContact CG2-CB 3.98Å
238	N	93.3	Very high	93.6	Very high	92 Å²	92	64.7 Å²	64.7	49%	0.492	31%	0.305	S	S	.	.			trans	-62.1	147.9	177.8	-68.5	-11.5	0	0	0	111.1	D240 M241 A242	N238-D240 VanDerWaalsContact C-N 3.27Å; N238-D240 PolarHBondContact O-N 3.09Å; N238-M241 PolarHBondContact O-N 2.96Å; N238-M241 VanDerWaalsContact O-N 3.15Å; N238-A242 PolarHBondContact O-N 3.32Å
239	P	92.8	Very high	93.7	Very high	55 Å²	55	72.4 Å²	72.4	36%	0.357	34%	0.336	S	S	.	.	H	α-helix	trans	-51.1	-42.2	179.3	-29.4	36.2	0	0	0	114.1	M241 A242 D243	P239-M241 PolarHBondContact O-N 3.19Å; P239-A242 WeakPolarHBondContact O-CB 3.27Å; P239-A242 PolarHBondContact O-N 3.13Å; P239-A242 VanDerWaalsContact O-N 3.17Å; P239-D243 WeakPolarHBondContact O-CB 3.41Å; P239-D243 VanDerWaalsContact O-CG 3.3Å; P239-D243 PolarHBondContact O-N 2.96Å
240	D	93.8	Very high	93.8	Very high	134 Å²	134	66.4 Å²	66.4	72%	0.717	31%	0.314	S	S	*	.	H	α-helix	trans	-61.4	-44	-179.6	-57.1	-36	0	0	0	112.7	N238 A242 D243 Y244	N238-D240 VanDerWaalsContact C-N 3.27Å; N238-D240 PolarHBondContact O-N 3.09Å; D240-A242 VanDerWaalsContact C-N 3.35Å; D240-D243 PolarHBondContact O-N 2.93Å; D240-Y244 WeakPolarHBondContact O-CB 3.29Å; D240-Y244 PolarHBondContact O-N 3.06Å
241	M	94.2	Very high	93.8	Very high	72 Å²	72	64.5 Å²	64.5	36%	0.355	31%	0.311	S	S	.	.	H	α-helix	trans	-66	-41.1	176.4	178.8	-176.3	-74	0	0	110.7	A210 V237 N238 P239 D243 Y244 I245	A210-M241 VanDerWaalsContact O-CE 3.32Å; A210-M241 WeakPolarHBondContact O-CE 3.48Å; V237-M241 HydrophobicContact CB-SD 3.98Å; V237-M241 HydrophobicContact CG1-SD 3.82Å; N238-M241 PolarHBondContact O-N 2.96Å; N238-M241 VanDerWaalsContact O-N 3.15Å; P239-M241 PolarHBondContact O-N 3.19Å; M241-D243 VanDerWaalsContact C-N 3.34Å; M241-Y244 WeakPolarHBondContact O-CB 3.5Å; M241-Y244 PolarHBondContact O-N 2.81Å; M241-I245 HydrophobicContact CG-CD1 4.02Å; M241-I245 WeakPolarHBondContact O-CG1 3.4Å; M241-I245 PolarHBondContact O-N 2.82Å
242	A	94.4	Very high	93.7	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.3	-40.5	178.6	0	0	0	0	0	111.5	K183 V237 N238 P239 D240 I245 K246 L255	K183-A242 HydrophobicContact CB-CB 3.84Å; K183-A242 HydrophobicContact CD-CB 3.65Å; K183-A242 HydrophobicContact CG-CB 4.13Å; V237-A242 HydrophobicContact CG2-CB 3.98Å; N238-A242 PolarHBondContact O-N 3.32Å; P239-A242 WeakPolarHBondContact O-CB 3.27Å; P239-A242 PolarHBondContact O-N 3.13Å; P239-A242 VanDerWaalsContact O-N 3.17Å; D240-A242 VanDerWaalsContact C-N 3.35Å; A242-I245 PolarHBondContact O-N 2.82Å; A242-K246 WeakPolarHBondContact O-CB 3.24Å; A242-K246 PolarHBondContact O-N 2.86Å; A242-L255 HydrophobicContact CB-CD1 4.14Å; A242-L255 HydrophobicContact CB-CD2 4.08Å; A242-L255 WeakPolarHBondContact O-CD1 3.42Å
243	D	94.8	Very high	93.7	Very high	65 Å²	65	60.7 Å²	60.7	35%	0.348	30%	0.295	S	S	.	.	H	α-helix	trans	-70.5	-35	177.5	-69.8	-11.2	0	0	0	111.9	K183 P239 D240 M241 K246 K247	K183-D243 IonicContact NZ-OD1 2.69Å; K183-D243 PolarHBondContact NZ-OD1 3.22Å; P239-D243 WeakPolarHBondContact O-CB 3.41Å; P239-D243 VanDerWaalsContact O-CG 3.3Å; P239-D243 PolarHBondContact O-N 2.96Å; D240-D243 PolarHBondContact O-N 2.93Å; M241-D243 VanDerWaalsContact C-N 3.34Å; D243-K246 PolarHBondContact O-N 3.21Å; D243-K247 WeakPolarHBondContact O-CG 3.39Å; D243-K247 PolarHBondContact O-N 3.26Å; D243-K247 VanDerWaalsContact O-N 3.17Å
244	Y	95.7	Very high	93.7	Very high	114 Å²	114	63.5 Å²	63.5	45%	0.447	31%	0.308	S	S	.	.	H	α-helix	trans	-58.9	-48.4	168.3	175.4	-102.4	0	0	0	111.6	A210 D240 M241 K246 K247 L248	A210-Y244 HydrophobicContact CB-CD1 4.28Å; A210-Y244 HydrophobicContact CB-CE1 4.11Å; D240-Y244 WeakPolarHBondContact O-CB 3.29Å; D240-Y244 PolarHBondContact O-N 3.06Å; M241-Y244 WeakPolarHBondContact O-CB 3.5Å; M241-Y244 PolarHBondContact O-N 2.81Å; Y244-K246 PolarHBondContact O-N 2.75Å; Y244-K247 WeakPolarHBondContact O-CB 3.15Å; Y244-K247 PolarHBondContact O-N 3.01Å; Y244-K247 VanDerWaalsContact O-N 3.12Å; Y244-L248 HydrophobicContact CE1-CD1 4.4Å; Y244-L248 PolarHBondContact O-N 2.7Å
245	I	94.7	Very high	93.7	Very high	6 Å²	6	64.8 Å²	64.8	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-67.1	-36.8	-179.8	-72.6	170.4	0	0	0	111.7	I185 L207 A210 L211 M241 A242 K247 L248 I253	I185-I245 HydrophobicContact CD1-CD1 3.29Å; I185-I245 HydrophobicContact CG1-CD1 4.29Å; I185-I245 HydrophobicContact CG2-CG2 4.42Å; L207-I245 HydrophobicContact CD1-CD1 3.77Å; L207-I245 HydrophobicContact CD1-CG1 3.95Å; L207-I245 HydrophobicContact CD1-CG2 3.83Å; A210-I245 HydrophobicContact CB-CD1 4.14Å; A210-I245 HydrophobicContact CB-CG1 4.37Å; L211-I245 HydrophobicContact CD2-CD1 4.14Å; M241-I245 HydrophobicContact CG-CD1 4.02Å; M241-I245 WeakPolarHBondContact O-CG1 3.4Å; M241-I245 PolarHBondContact O-N 2.82Å; A242-I245 PolarHBondContact O-N 2.82Å; I245-K247 PolarHBondContact O-N 3.12Å; I245-L248 HydrophobicContact CG1-CD1 4.37Å; I245-L248 WeakPolarHBondContact O-CB 3.06Å; I245-L248 PolarHBondContact O-N 3.38Å; I245-L248 VanDerWaalsContact O-N 3.08Å; I245-I253 HydrophobicContact CG2-CG2 4.19Å
246	K	94.1	Very high	93.5	Very high	142 Å²	142	65.6 Å²	65.6	62%	0.617	31%	0.314	S	S	*	.	H	α-helix	trans	-56.8	-38.5	172.2	-166.9	176.9	178.5	-179.6	0	111.8	A242 D243 Y244 L248 K249 L255	A242-K246 WeakPolarHBondContact O-CB 3.24Å; A242-K246 PolarHBondContact O-N 2.86Å; D243-K246 PolarHBondContact O-N 3.21Å; Y244-K246 PolarHBondContact O-N 2.75Å; K246-L248 VanDerWaalsContact C-N 3.28Å; K246-L248 PolarHBondContact O-N 3.34Å; K246-K249 PolarHBondContact O-N 2.85Å; K246-L255 HydrophobicContact CB-CD1 3.93Å; K246-L255 HydrophobicContact CD-CD1 4.29Å; K246-L255 HydrophobicContact CG-CD1 4.33Å
247	K	95.1	Very high	93.4	Very high	164 Å²	164	71.4 Å²	71.4	71%	0.713	34%	0.342	S	S	*	.	H	α-helix	trans	-69.9	-20.1	179	-70.6	169.1	-176.5	176.4	0	113.5	D243 Y244 I245 K249	D243-K247 WeakPolarHBondContact O-CG 3.39Å; D243-K247 PolarHBondContact O-N 3.26Å; D243-K247 VanDerWaalsContact O-N 3.17Å; Y244-K247 WeakPolarHBondContact O-CB 3.15Å; Y244-K247 PolarHBondContact O-N 3.01Å; Y244-K247 VanDerWaalsContact O-N 3.12Å; I245-K247 PolarHBondContact O-N 3.12Å; K247-K249 PolarHBondContact O-N 3.37Å
248	L	93.2	Very high	93.2	Very high	21 Å²	21	72 Å²	72	11%	0.11	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.6	176.6	-60.4	177	0	0	0	112.8	R203 A206 L207 Y244 I245 K246 L250	R203-L248 VanDerWaalsContact CD-O 3.26Å; R203-L248 WeakPolarHBondContact CD-O 3.31Å; R203-L248 PolarHBondContact NH1-O 3.24Å; A206-L248 HydrophobicContact CB-CD1 4.24Å; A206-L248 HydrophobicContact CB-CD2 3.95Å; L207-L248 HydrophobicContact CB-CD1 4.07Å; Y244-L248 HydrophobicContact CE1-CD1 4.4Å; Y244-L248 PolarHBondContact O-N 2.7Å; I245-L248 HydrophobicContact CG1-CD1 4.37Å; I245-L248 WeakPolarHBondContact O-CB 3.06Å; I245-L248 PolarHBondContact O-N 3.38Å; I245-L248 VanDerWaalsContact O-N 3.08Å; K246-L248 VanDerWaalsContact C-N 3.28Å; K246-L248 PolarHBondContact O-N 3.34Å; L248-L250 VanDerWaalsContact C-N 3.27Å; L248-L250 HydrophobicContact CB-CD1 4.2Å; L248-L250 HydrophobicContact CB-CG 4.05Å; L248-L250 HydrophobicContact CD1-CD1 4.23Å; L248-L250 PolarHBondContact O-N 2.87Å
249	K	91.9	Very high	93.1	Very high	174 Å²	174	69 Å²	69	76%	0.757	33%	0.33	S	S	*	.			trans	48.9	48.8	178.8	-60.6	179.5	-179.4	-178.7	0	112	R203 K246 K247	R203-K249 PolarHBondContact NH1-O 3.47Å; K246-K249 PolarHBondContact O-N 2.85Å; K247-K249 PolarHBondContact O-N 3.37Å
250	L	92.7	Very high	93.1	Very high	14 Å²	14	70.2 Å²	70.2	7%	0.073	33%	0.327	C	S	.	.			trans	-82.8	128.8	177.3	-71.7	170.9	0	0	0	109.6	R203 W204 L207 L248 I253	R203-L250 HydrophobicContact CB-CD2 3.73Å; R203-L250 HydrophobicContact CB-CG 4.45Å; W204-L250 HydrophobicContact CD2-CD1 4.39Å; W204-L250 HydrophobicContact CD2-CD2 4.05Å; W204-L250 HydrophobicContact CE3-CD1 4.31Å; W204-L250 HydrophobicContact CG-CD2 4.16Å; W204-L250 HydrophobicContact CZ2-CD2 4.42Å; L207-L250 HydrophobicContact CB-CD1 3.75Å; L207-L250 HydrophobicContact CD2-CD1 3.66Å; L207-L250 HydrophobicContact CG-CD1 4.23Å; L248-L250 VanDerWaalsContact C-N 3.27Å; L248-L250 HydrophobicContact CB-CD1 4.2Å; L248-L250 HydrophobicContact CB-CG 4.05Å; L248-L250 HydrophobicContact CD1-CD1 4.23Å; L248-L250 PolarHBondContact O-N 2.87Å; L250-I253 HydrophobicContact CB-CB 4.01Å; L250-I253 HydrophobicContact CB-CG1 3.67Å; L250-I253 HydrophobicContact CD1-CG1 4.35Å; L250-I253 PolarHBondContact O-N 2.86Å
251	P	91.1	Very high	93.2	Very high	49 Å²	49	64.2 Å²	64.2	32%	0.318	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	142.2	177.9	28	-34	0	0	0	110.6	A195 I253	A195-P251 HydrophobicContact CB-CB 3.52Å; A195-P251 HydrophobicContact CB-CG 3.61Å; P251-I253 PolarHBondContact O-N 2.78Å
252	G	92.5	Very high	93.4	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.01	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	-2	-177.7	0	0	0	0	0	115.9	A187 D188 E191 H254	A187-G252 CarbonylContact C-O 3.59Å; A187-G252 WeakPolarHBondContact CA-O 3.35Å; D188-G252 PolarHBondContact N-O 2.83Å; E191-G252 VanDerWaalsContact CD-N 3.3Å; E191-G252 WeakPolarHBondContact OE1-CA 3.44Å; E191-G252 PolarHBondContact OE1-N 3.02Å; G252-H254 PolarHBondContact O-CD2 3.19Å
253	I	94.9	Very high	93.5	Very high	24 Å²	24	65.9 Å²	65.9	12%	0.123	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119	176.9	-55	-56.5	0	0	0	109.8	I185 A187 W204 L207 L233 I245 L250 P251	I185-I253 HydrophobicContact CG2-CG2 3.93Å; A187-I253 HydrophobicContact CB-CD1 3.64Å; W204-I253 HydrophobicContact CH2-CD1 3.99Å; W204-I253 HydrophobicContact CH2-CG1 4.09Å; W204-I253 HydrophobicContact CZ3-CD1 4.11Å; W204-I253 HydrophobicContact CZ3-CG1 4.33Å; L207-I253 HydrophobicContact CD2-CD1 4.21Å; L207-I253 HydrophobicContact CD2-CG1 4.17Å; L233-I253 HydrophobicContact CD1-CD1 3.76Å; I245-I253 HydrophobicContact CG2-CG2 4.19Å; L250-I253 HydrophobicContact CB-CB 4.01Å; L250-I253 HydrophobicContact CB-CG1 3.67Å; L250-I253 HydrophobicContact CD1-CG1 4.35Å; L250-I253 PolarHBondContact O-N 2.86Å; P251-I253 PolarHBondContact O-N 2.78Å
254	H	94.1	Very high	93.7	Very high	64 Å²	64	65.6 Å²	65.6	30%	0.296	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	154.8	-171.8	-64.5	-70.1	0	0	0	111	W186 E191 G252	W186-H254 VanDerWaalsContact CD1-O 3.3Å; W186-H254 HydrophobicContact CD2-CB 3.89Å; W186-H254 HydrophobicContact CE3-CB 4.48Å; W186-H254 HydrophobicContact CG-CB 4.4Å; W186-H254 HydrophobicContact CH2-CB 4Å; W186-H254 AromaticContact CH2-CD2 3.56Å; W186-H254 AromaticContact CH2-CG 3.94Å; W186-H254 HydrophobicContact CZ2-CB 3.32Å; W186-H254 AromaticContact CZ2-CD2 3.82Å; W186-H254 AromaticContact CZ2-CG 3.69Å; W186-H254 AromaticContact CZ3-CD2 3.93Å; W186-H254 PolarHBondContact N-O 2.99Å; W186-H254 PolarHBondContact O-N 3.31Å; E191-H254 IonicContact OE1-CE1 3.03Å; E191-H254 IonicContact OE1-NE2 2.61Å; E191-H254 IonicContact OE2-CD2 3.98Å; E191-H254 IonicContact OE2-CE1 3.47Å; E191-H254 IonicContact OE2-NE2 3.37Å; E191-H254 PolarHBondContact OE2-NE2 2.78Å; G252-H254 PolarHBondContact O-CD2 3.19Å
255	L	93.4	Very high	93.7	Very high	49 Å²	49	61.1 Å²	61.1	26%	0.257	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	146.9	173.5	-62.5	177.1	0	0	0	109.7	K183 A184 I185 A242 K246	K183-L255 HydrophobicContact CD-CB 4.37Å; K183-L255 HydrophobicContact CD-CD1 3.99Å; A184-L255 CarbonylContact O-C 3.33Å; A184-L255 WeakPolarHBondContact O-CA 3.48Å; I185-L255 HydrophobicContact CB-CD2 4.5Å; I185-L255 HydrophobicContact CG1-CD2 3.62Å; A242-L255 HydrophobicContact CB-CD1 4.14Å; A242-L255 HydrophobicContact CB-CD2 4.08Å; A242-L255 WeakPolarHBondContact O-CD1 3.42Å; K246-L255 HydrophobicContact CB-CD1 3.93Å; K246-L255 HydrophobicContact CD-CD1 4.29Å; K246-L255 HydrophobicContact CG-CD1 4.33Å
256	R	90.9	Very high	93.8	Very high	89 Å²	89	61.3 Å²	61.3	34%	0.336	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	137.9	170.7	-166.2	-179.4	70	-174.7	5.6	109.7	K183 A184 Y232 E258	K183-R256 CarbonylContact C-O 3.52Å; K183-R256 VanDerWaalsContact CA-O 3.22Å; K183-R256 WeakPolarHBondContact CA-O 3.28Å; A184-R256 PolarHBondContact N-O 2.84Å; A184-R256 PolarHBondContact O-N 3.12Å; Y232-R256 VanDerWaalsContact CZ-NH2 3.27Å; Y232-R256 PolarHBondContact OH-NH1 3.46Å; Y232-R256 PolarHBondContact OH-NH2 3.35Å; R256-E258 IonicContact CZ-OE1 3.74Å; R256-E258 IonicContact NE-OE1 2.88Å; R256-E258 IonicContact NH2-OE1 3.85Å; R256-E258 PolarHBondContact NH2-OE1 2.92Å
257	E	89.6	Confident	93.9	Very high	158 Å²	158	58.6 Å²	58.6	74%	0.738	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	137.9	174.9	-63.8	-177.2	169.9	0	0	110.6
258	E	91.1	Very high	94	Very high	26 Å²	26	52.3 Å²	52.3	12%	0.121	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	168.2	175.8	-70.9	-165.6	164.9	0	0	109.7	V182 A184 R235 Q236 R256	V182-E258 CarbonylContact C-O 3.5Å; V182-E258 HydrophobicContact CG2-CB 3.93Å; V182-E258 WeakPolarHBondContact CG2-O 3.4Å; V182-E258 PolarHBondContact N-O 3Å; V182-E258 CarbonylContact O-C 3.55Å; V182-E258 PolarHBondContact O-N 3.27Å; A184-E258 HydrophobicContact CB-CG 3.97Å; A184-E258 VanDerWaalsContact CB-OE1 3.31Å; A184-E258 WeakPolarHBondContact CB-OE1 3.38Å; R235-E258 IonicContact CZ-OE1 3.24Å; R235-E258 VanDerWaalsContact CZ-OE1 3.31Å; R235-E258 IonicContact CZ-OE2 2.92Å; R235-E258 IonicContact NE-OE1 3.81Å; R235-E258 PolarHBondContact NE-OE1 3.42Å; R235-E258 IonicContact NE-OE2 3.44Å; R235-E258 PolarHBondContact NE-OE2 3.43Å; R235-E258 IonicContact NH2-OE1 2.74Å; R235-E258 PolarHBondContact NH2-OE1 2.93Å; R235-E258 IonicContact NH2-OE2 2.86Å; Q236-E258 PolarHBondContact N-OE2 3.35Å; R256-E258 IonicContact CZ-OE1 3.74Å; R256-E258 IonicContact NE-OE1 2.88Å; R256-E258 IonicContact NH2-OE1 3.85Å; R256-E258 PolarHBondContact NH2-OE1 2.92Å
259	S	90.8	Very high	94.2	Very high	28 Å²	28	51.4 Å²	51.4	20%	0.196	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	141.6	167.9	59.8	0	0	0	0	109.9	V180	V180-S259 WeakPolarHBondContact O-CA 3.28Å
260	R	92.8	Very high	94.5	Very high	80 Å²	80	43.1 Å²	43.1	30%	0.302	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.2	169.5	176.1	172.9	178	-175.9	1.6	108.9	V180 V182 Q236 N378	V180-R260 PolarHBondContact N-O 2.93Å; V180-R260 PolarHBondContact O-N 2.87Å; V182-R260 HydrophobicContact CB-CB 4.42Å; V182-R260 HydrophobicContact CG1-CB 3.75Å; V182-R260 HydrophobicContact CG2-CB 3.77Å; Q236-R260 HydrophobicContact CB-CB 4.27Å; Q236-R260 HydrophobicContact CG-CB 4.26Å; R260-N378 PolarHBondContact NH2-O 2.88Å
261	R	96	Very high	94.7	Very high	8 Å²	8	43 Å²	43	3%	0.03	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	130.7	170.9	-160.8	63.2	170.6	177.6	-4.4	110.2	R165 G166 S179 Y263 T276 E287	R165-R261 PolarHBondContact O-NH1 3.38Å; G166-R261 VanDerWaalsContact O-CZ 3.22Å; G166-R261 PolarHBondContact O-NH1 3.03Å; G166-R261 PolarHBondContact O-NH2 2.66Å; S179-R261 PolarHBondContact OG-NH1 3.25Å; R261-Y263 HydrophobicContact CG-CE1 3.86Å; R261-Y263 HydrophobicContact CG-CE2 4.27Å; R261-Y263 WeakPolarHBondContact CG-OH 3.31Å; R261-T276 HydrophobicContact CB-CG2 4.28Å; R261-T276 VanDerWaalsContact CB-OG1 3.25Å; R261-T276 WeakPolarHBondContact CB-OG1 3.37Å; R261-T276 HydrophobicContact CG-CG2 3.96Å; R261-E287 IonicContact CZ-OE1 2.84Å; R261-E287 VanDerWaalsContact CZ-OE1 3.24Å; R261-E287 IonicContact NE-OE1 2.84Å; R261-E287 PolarHBondContact NE-OE1 3.42Å; R261-E287 IonicContact NE-OE2 2.92Å; R261-E287 IonicContact NH2-OE1 3.64Å; R261-E287 PolarHBondContact NH2-OE1 2.82Å; R261-E287 IonicContact NH2-OE2 3.69Å
262	Y	96.9	Very high	94.9	Very high	103 Å²	103	40.8 Å²	40.8	40%	0.404	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.9	-178.9	-175.8	-99.1	0	0	0	110.7	A177 V178 V180 P264 N378	A177-Y262 WeakPolarHBondContact CA-O 3.39Å; V178-Y262 HydrophobicContact CG2-CD1 4.1Å; V178-Y262 PolarHBondContact N-O 2.88Å; V178-Y262 PolarHBondContact O-N 3.03Å; V180-Y262 HydrophobicContact CG2-CG 4.36Å; Y262-P264 HydrophobicContact CD1-CG 4.09Å; Y262-P264 HydrophobicContact CE1-CB 4.39Å; Y262-P264 HydrophobicContact CE1-CG 4.15Å; Y262-N378 VanDerWaalsContact CD2-OD1 3.27Å; Y262-N378 WeakPolarHBondContact CD2-OD1 3.44Å
263	Y	97.8	Very high	95.2	Very high	5 Å²	5	40.8 Å²	40.8	2%	0.02	20%	0.196	C	C	.	.			trans	-121.1	96.9	-174	-49.3	-81.5	0	0	0	109.7	A177 R261 S265 G266 I273 F275 T276 E287 P377 N378	A177-Y263 HydrophobicContact CB-CD1 3.72Å; A177-Y263 HydrophobicContact CB-CE1 3.91Å; R261-Y263 HydrophobicContact CG-CE1 3.86Å; R261-Y263 HydrophobicContact CG-CE2 4.27Å; R261-Y263 WeakPolarHBondContact CG-OH 3.31Å; Y263-S265 VanDerWaalsContact C-N 3.33Å; Y263-S265 PolarHBondContact O-N 2.99Å; Y263-G266 PolarHBondContact O-N 2.72Å; Y263-I273 HydrophobicContact CD1-CG2 3.73Å; Y263-I273 HydrophobicContact CE1-CG2 3.84Å; Y263-F275 HydrophobicContact CE2-CB 4.09Å; Y263-F275 WeakPolarHBondContact OH-CA 3.3Å; Y263-T276 PolarHBondContact OH-N 2.69Å; Y263-E287 HydrophobicContact CE1-CG 4.15Å; Y263-P377 HydrophobicContact CD2-CB 3.63Å; Y263-P377 HydrophobicContact CD2-CG 3.77Å; Y263-P377 HydrophobicContact CE2-CB 4.04Å; Y263-P377 HydrophobicContact CG-CB 4.08Å; Y263-P377 HydrophobicContact CG-CG 3.85Å; Y263-N378 WeakPolarHBondContact CD2-OD1 3.39Å; Y263-N378 PolarHBondContact N-OD1 2.98Å; Y263-N378 PolarHBondContact O-ND2 2.95Å
264	P	97.8	Very high	95.2	Very high	59 Å²	59	39.6 Å²	39.6	38%	0.383	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-39.2	-173.6	-28.5	37.3	0	0	0	114.4	L176 V178 Y262 G266	L176-P264 WeakPolarHBondContact O-CD 3.21Å; V178-P264 HydrophobicContact CG2-CG 4.4Å; Y262-P264 HydrophobicContact CD1-CG 4.09Å; Y262-P264 HydrophobicContact CE1-CB 4.39Å; Y262-P264 HydrophobicContact CE1-CG 4.15Å; P264-G266 PolarHBondContact O-N 3.21Å
265	S	95.9	Very high	95.3	Very high	19 Å²	19	37.3 Å²	37.3	13%	0.133	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-3.2	179.9	-55.8	0	0	0	0	113.6	Y263 E267 V268 T269	Y263-S265 VanDerWaalsContact C-N 3.33Å; Y263-S265 PolarHBondContact O-N 2.99Å; S265-E267 PolarHBondContact O-N 3.02Å; S265-V268 VanDerWaalsContact O-CB 3.27Å; S265-V268 WeakPolarHBondContact O-CB 3.45Å; S265-V268 PolarHBondContact O-N 3.39Å; S265-V268 VanDerWaalsContact O-N 3.09Å; S265-T269 WeakPolarHBondContact CB-OG1 3.4Å
266	G	96.3	Very high	95.4	Very high	10 Å²	10	35.8 Å²	35.8	10%	0.103	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	48.7	-122.9	173.5	0	0	0	0	0	113.7	Y263 P264 V268 T269 A270 P377	Y263-G266 PolarHBondContact O-N 2.72Å; P264-G266 PolarHBondContact O-N 3.21Å; G266-V268 PolarHBondContact O-N 3.23Å; G266-T269 PolarHBondContact O-N 3.23Å; G266-A270 PolarHBondContact O-N 3.23Å; G266-P377 WeakPolarHBondContact O-CD 3.26Å
267	E	96.6	Very high	95.6	Very high	85 Å²	85	33.7 Å²	33.7	40%	0.397	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-65.1	-24.4	-175.4	-50.6	-166.8	169.8	0	0	114	S265 T269 Y339 S374 Y375 N376	S265-E267 PolarHBondContact O-N 3.02Å; E267-T269 PolarHBondContact O-N 3.11Å; E267-Y339 PolarHBondContact OE2-OH 3.12Å; E267-S374 PolarHBondContact O-OG 2.94Å; E267-Y375 WeakPolarHBondContact CA-O 3.31Å; E267-N376 HydrophobicContact CG-CB 4.12Å
268	V	97.9	Very high	95.6	Very high	32 Å²	32	29.9 Å²	29.9	19%	0.194	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-63.8	-31.5	-176.3	176.8	0	0	0	0	111.4	S265 G266 Q335 A336 Y339	S265-V268 VanDerWaalsContact O-CB 3.27Å; S265-V268 WeakPolarHBondContact O-CB 3.45Å; S265-V268 PolarHBondContact O-N 3.39Å; S265-V268 VanDerWaalsContact O-N 3.09Å; G266-V268 PolarHBondContact O-N 3.23Å; V268-Q335 HydrophobicContact CG1-CG 3.81Å; V268-Q335 PolarHBondContact O-NE2 3.36Å; V268-A336 HydrophobicContact CG1-CB 4.24Å; V268-Y339 HydrophobicContact CB-CD1 4.34Å; V268-Y339 HydrophobicContact CB-CG 4.42Å; V268-Y339 HydrophobicContact CG1-CD1 4.47Å; V268-Y339 HydrophobicContact CG1-CG 4.33Å; V268-Y339 HydrophobicContact CG2-CD1 3.78Å; V268-Y339 HydrophobicContact CG2-CE1 4.06Å; V268-Y339 HydrophobicContact CG2-CG 4.35Å
269	T	97.4	Very high	95.6	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.012	17%	0.171	C	C	.	.	S	Bend	trans	-121.9	6.6	-176.1	56.2	0	0	0	0	113.4	L176 S265 G266 E267 H271 L272 I273 Q335	L176-T269 HydrophobicContact CD2-CG2 4.28Å; S265-T269 WeakPolarHBondContact CB-OG1 3.4Å; G266-T269 PolarHBondContact O-N 3.23Å; E267-T269 PolarHBondContact O-N 3.11Å; T269-H271 PolarHBondContact O-N 3.33Å; T269-L272 PolarHBondContact O-N 3.38Å; T269-L272 VanDerWaalsContact O-N 3.1Å; T269-I273 PolarHBondContact O-N 3.01Å; T269-Q335 HydrophobicContact CG2-CG 3.88Å
270	A	97.3	Very high	95.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-55.9	-50.6	-167.7	0	0	0	0	0	114	G266 L272 G274 Y375 P377	G266-A270 PolarHBondContact O-N 3.23Å; A270-L272 VanDerWaalsContact C-N 3.27Å; A270-L272 PolarHBondContact O-N 3.41Å; A270-G274 WeakPolarHBondContact O-CA 3.46Å; A270-G274 PolarHBondContact O-N 2.87Å; A270-Y375 HydrophobicContact CB-CD1 3.97Å; A270-Y375 HydrophobicContact CB-CD2 4.4Å; A270-Y375 HydrophobicContact CB-CE1 3.7Å; A270-Y375 HydrophobicContact CB-CE2 4.18Å; A270-Y375 HydrophobicContact CB-CG 4.31Å; A270-Y375 WeakPolarHBondContact CB-O 3.45Å; A270-Y375 PolarHBondContact O-OH 3.42Å; A270-Y375 VanDerWaalsContact O-OH 3.12Å; A270-P377 HydrophobicContact CB-CG 4.16Å
271	H	97	Very high	95.6	Very high	11 Å²	11	33.7 Å²	33.7	5%	0.051	18%	0.178	C	C	.	.	H	α-helix	trans	-68.9	-27	179.7	-52	99.2	0	0	0	113.9	T269 P373 S374 Y375 A387 M388 R389 N390	T269-H271 PolarHBondContact O-N 3.33Å; H271-P373 PolarHBondContact CE1-O 3.36Å; H271-S374 PolarHBondContact CE1-OG 2.93Å; H271-S374 VanDerWaalsContact CE1-OG 3.25Å; H271-Y375 AromaticContact CD2-CE1 3.62Å; H271-Y375 AromaticContact NE2-CD1 3.75Å; H271-Y375 AromaticContact NE2-CE1 3.8Å; H271-A387 PolarHBondContact CD2-O 2.88Å; H271-A387 PolarHBondContact NE2-O 3.04Å; H271-M388 PolarHBondContact CD2-O 2.88Å; H271-R389 PolarHBondContact CD2-O 2.99Å; H271-R389 VanDerWaalsContact CD2-O 3.31Å; H271-N390 HydrophobicContact CB-CB 3.87Å; H271-N390 PolarHBondContact O-ND2 3.48Å
272	L	96.4	Very high	95.6	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-77	-58.8	-179.6	178.6	76.9	0	0	0	109.7	T269 A270 G274 G285 V286 L328 I330 M369 L487 I540	T269-L272 PolarHBondContact O-N 3.38Å; T269-L272 VanDerWaalsContact O-N 3.1Å; A270-L272 VanDerWaalsContact C-N 3.27Å; A270-L272 PolarHBondContact O-N 3.41Å; L272-G274 VanDerWaalsContact C-N 3.33Å; L272-G285 WeakPolarHBondContact O-CA 3.37Å; L272-V286 HydrophobicContact CG-CG2 4.48Å; L272-V286 WeakPolarHBondContact O-CG2 3.27Å; L272-V286 PolarHBondContact O-N 2.79Å; L272-L328 HydrophobicContact CD2-CD1 4.11Å; L272-I330 HydrophobicContact CD2-CD1 3.66Å; L272-I330 HydrophobicContact CD2-CG1 3.48Å; L272-I330 VanDerWaalsContact CD2-CG1 3.48Å; L272-M369 HydrophobicContact CD1-CB 4.36Å; L272-M369 HydrophobicContact CD1-SD 4.02Å; L272-L487 HydrophobicContact CD1-CD1 4.12Å; L272-I540 HydrophobicContact CD1-CD1 3.41Å; L272-I540 VanDerWaalsContact CD1-CD1 3.41Å; L272-I540 HydrophobicContact CD1-CG1 3.97Å; L272-I540 HydrophobicContact CD2-CD1 4.31Å; L272-I540 HydrophobicContact CG-CD1 4.37Å
273	I	97.5	Very high	95.5	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-69.3	-39	-176.8	-58.7	-61	0	0	0	110	I168 L176 A177 Y263 T269 V286 E287 L328	I168-I273 HydrophobicContact CD1-CG2 4.15Å; I168-I273 HydrophobicContact CG2-CD1 3.94Å; L176-I273 HydrophobicContact CB-CD1 3.95Å; L176-I273 HydrophobicContact CB-CG1 4.34Å; L176-I273 HydrophobicContact CD1-CD1 4.05Å; A177-I273 HydrophobicContact CB-CG2 4.06Å; Y263-I273 HydrophobicContact CD1-CG2 3.73Å; Y263-I273 HydrophobicContact CE1-CG2 3.84Å; T269-I273 PolarHBondContact O-N 3.01Å; I273-V286 PolarHBondContact O-N 2.88Å; I273-V286 VanDerWaalsContact O-N 3.08Å; I273-E287 HydrophobicContact CG2-CG 4.06Å; I273-E287 WeakPolarHBondContact O-CG 3.42Å; I273-E287 PolarHBondContact O-N 3.43Å; I273-L328 HydrophobicContact CD1-CD1 3.48Å; I273-L328 VanDerWaalsContact CD1-CD1 3.48Å
274	G	96.1	Very high	95.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.			trans	72.9	-147.9	-171.2	0	0	0	0	0	110.8	A270 L272	A270-G274 WeakPolarHBondContact O-CA 3.46Å; A270-G274 PolarHBondContact O-N 2.87Å; L272-G274 VanDerWaalsContact C-N 3.33Å
275	F	96	Very high	95.3	Very high	16 Å²	16	33.1 Å²	33.1	7%	0.07	18%	0.179	C	C	.	.			trans	-156	168.8	179.5	57	-83.5	0	0	0	112.4	Y263 I283 E284 Y375 P377 L380 M388	Y263-F275 HydrophobicContact CE2-CB 4.09Å; Y263-F275 WeakPolarHBondContact OH-CA 3.3Å; F275-I283 HydrophobicContact CD2-CD1 3.55Å; F275-I283 HydrophobicContact CD2-CG1 3.7Å; F275-I283 HydrophobicContact CE2-CD1 3.21Å; F275-I283 HydrophobicContact CE2-CG1 3.68Å; F275-I283 HydrophobicContact CZ-CD1 4.17Å; F275-I283 HydrophobicContact CZ-CG1 4.43Å; F275-I283 VanDerWaalsContact O-CG1 3.25Å; F275-I283 WeakPolarHBondContact O-CG1 3.49Å; F275-I283 PolarHBondContact O-N 2.84Å; F275-E284 HydrophobicContact CD1-CB 3.98Å; F275-E284 HydrophobicContact CD1-CG 4.31Å; F275-E284 HydrophobicContact CE1-CB 3.81Å; F275-E284 HydrophobicContact CE1-CG 3.62Å; F275-E284 HydrophobicContact CZ-CB 4.41Å; F275-E284 HydrophobicContact CZ-CG 3.88Å; F275-E284 PolarHBondContact O-N 3.09Å; F275-Y375 AromaticContact CD1-CE2 3.91Å; F275-Y375 HydrophobicContact CD1-CE2 3.91Å; F275-Y375 WeakPolarHBondContact CD1-OH 3.49Å; F275-Y375 HydrophobicContact CE1-CE2 4.01Å; F275-P377 HydrophobicContact CB-CB 4.35Å; F275-L380 HydrophobicContact CD1-CD2 4.34Å; F275-L380 HydrophobicContact CD2-CD1 3.44Å; F275-L380 VanDerWaalsContact CD2-CD1 3.44Å; F275-L380 HydrophobicContact CE1-CD2 4.36Å; F275-L380 HydrophobicContact CE2-CD1 3.35Å; F275-L380 HydrophobicContact CG-CD1 4.06Å; F275-L380 HydrophobicContact CG-CD2 4.48Å; F275-L380 HydrophobicContact CZ-CD1 3.96Å; F275-L380 HydrophobicContact CZ-CD2 4.49Å; F275-M388 HydrophobicContact CE1-SD 4.11Å; F275-M388 HydrophobicContact CZ-CE 4.42Å; F275-M388 HydrophobicContact CZ-SD 3.92Å
276	T	96.2	Very high	95.4	Very high	17 Å²	17	32.2 Å²	32.2	10%	0.104	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-104.6	161.2	173.9	66.6	0	0	0	0	111.6	R261 Y263 Q281 E287	R261-T276 HydrophobicContact CB-CG2 4.28Å; R261-T276 VanDerWaalsContact CB-OG1 3.25Å; R261-T276 WeakPolarHBondContact CB-OG1 3.37Å; R261-T276 HydrophobicContact CG-CG2 3.96Å; Y263-T276 PolarHBondContact OH-N 2.69Å; T276-Q281 CarbonylContact C-O 3.42Å; T276-Q281 WeakPolarHBondContact CA-O 3.35Å; T276-Q281 VanDerWaalsContact CB-O 3.28Å; T276-Q281 WeakPolarHBondContact CB-O 3.41Å; T276-E287 HydrophobicContact CG2-CB 4.35Å; T276-E287 HydrophobicContact CG2-CG 4.26Å
277	N	93.7	Very high	95.4	Very high	45 Å²	45	31.8 Å²	31.8	24%	0.241	17%	0.168	C	C	.	.			trans	-76.7	-177.4	164.7	70.3	10.8	0	0	0	111.8	D279 S280 Q281 I283	N277-D279 PolarHBondContact O-N 3.37Å; N277-D279 WeakPolarHBondContact OD1-CA 3.32Å; N277-D279 PolarHBondContact OD1-N 3.04Å; N277-S280 PolarHBondContact O-N 3.48Å; N277-S280 VanDerWaalsContact O-N 3.11Å; N277-S280 PolarHBondContact OD1-N 3.05Å; N277-Q281 PolarHBondContact N-O 2.82Å; N277-Q281 PolarHBondContact OD1-N 2.83Å; N277-I283 HydrophobicContact CB-CD1 4.2Å; N277-I283 HydrophobicContact CB-CG2 4.38Å
278	V	91	Very high	95.4	Very high	77 Å²	77	32.1 Å²	32.1	47%	0.467	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.7	179.8	-64.6	0	0	0	0	114	Q236	Q236-V278 PolarHBondContact NE2-O 2.91Å
279	D	89.3	Confident	95.4	Very high	86 Å²	86	32.2 Å²	32.2	46%	0.46	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	19.9	178.6	-56.3	-48.6	0	0	0	111.7	R235 N277 Q281	R235-D279 IonicContact CZ-OD1 3.94Å; R235-D279 IonicContact NH1-OD1 2.87Å; R235-D279 PolarHBondContact NH1-OD1 3.01Å; R235-D279 VanDerWaalsContact NH1-OD1 3.12Å; R235-D279 IonicContact NH2-OD1 3.9Å; R235-D279 PolarHBondContact NH2-OD1 3.49Å; N277-D279 PolarHBondContact O-N 3.37Å; N277-D279 WeakPolarHBondContact OD1-CA 3.32Å; N277-D279 PolarHBondContact OD1-N 3.04Å; D279-Q281 PolarHBondContact O-N 3.1Å
280	S	90.7	Very high	95.3	Very high	22 Å²	22	34.3 Å²	34.3	15%	0.154	18%	0.179	C	C	.	.	S	Bend	trans	62.2	19.8	176.1	-54.9	0	0	0	0	115.7	R165 N277	R165-S280 PolarHBondContact NH1-O 2.88Å; N277-S280 PolarHBondContact O-N 3.48Å; N277-S280 VanDerWaalsContact O-N 3.11Å; N277-S280 PolarHBondContact OD1-N 3.05Å
281	Q	93.5	Very high	95.2	Very high	106 Å²	106	35.9 Å²	35.9	50%	0.495	19%	0.187	S	C	.	.			trans	-83.7	130.2	170.6	-59.8	172.6	15.6	0	0	109.5	T276 N277 D279 I283	T276-Q281 CarbonylContact C-O 3.42Å; T276-Q281 WeakPolarHBondContact CA-O 3.35Å; T276-Q281 VanDerWaalsContact CB-O 3.28Å; T276-Q281 WeakPolarHBondContact CB-O 3.41Å; N277-Q281 PolarHBondContact N-O 2.82Å; N277-Q281 PolarHBondContact OD1-N 2.83Å; D279-Q281 PolarHBondContact O-N 3.1Å; Q281-I283 PolarHBondContact O-N 3.42Å
282	G	96.2	Very high	95.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-64.5	129.8	174.1	0	0	0	0	0	111.5	E287 K288 D291	G282-E287 WeakPolarHBondContact CA-O 3.45Å; G282-K288 WeakPolarHBondContact O-CD 3.2Å; G282-D291 PolarHBondContact N-OD1 3.11Å
283	I	94.9	Very high	94.9	Very high	69 Å²	69	50.7 Å²	50.7	35%	0.354	25%	0.248	S	C	.	.			trans	-122.5	-21.9	-178.1	53.7	174.5	0	0	0	113.7	F275 N277 Q281	F275-I283 HydrophobicContact CD2-CD1 3.55Å; F275-I283 HydrophobicContact CD2-CG1 3.7Å; F275-I283 HydrophobicContact CE2-CD1 3.21Å; F275-I283 HydrophobicContact CE2-CG1 3.68Å; F275-I283 HydrophobicContact CZ-CD1 4.17Å; F275-I283 HydrophobicContact CZ-CG1 4.43Å; F275-I283 VanDerWaalsContact O-CG1 3.25Å; F275-I283 WeakPolarHBondContact O-CG1 3.49Å; F275-I283 PolarHBondContact O-N 2.84Å; N277-I283 HydrophobicContact CB-CD1 4.2Å; N277-I283 HydrophobicContact CB-CG2 4.38Å; Q281-I283 PolarHBondContact O-N 3.42Å
284	E	95.1	Very high	94.8	Very high	86 Å²	86	50.6 Å²	50.6	40%	0.402	25%	0.248	S	C	.	.	S	Bend	trans	-135.2	161.8	174.3	-78.3	-63.2	164.9	0	0	112.6	F275 E287 K288	F275-E284 HydrophobicContact CD1-CB 3.98Å; F275-E284 HydrophobicContact CD1-CG 4.31Å; F275-E284 HydrophobicContact CE1-CB 3.81Å; F275-E284 HydrophobicContact CE1-CG 3.62Å; F275-E284 HydrophobicContact CZ-CB 4.41Å; F275-E284 HydrophobicContact CZ-CG 3.88Å; F275-E284 PolarHBondContact O-N 3.09Å; E284-E287 WeakPolarHBondContact O-CB 3.3Å; E284-E287 PolarHBondContact O-N 3.04Å; E284-K288 PolarHBondContact O-N 2.85Å
285	G	96	Very high	94.6	Very high	9 Å²	9	53.8 Å²	53.8	9%	0.093	27%	0.267	C	S	.	.	H	α-helix	trans	57.6	-145.5	169.7	0	0	0	0	0	115.8	L272 E287 K288 S289	L272-G285 WeakPolarHBondContact O-CA 3.37Å; G285-E287 VanDerWaalsContact C-N 3.27Å; G285-E287 PolarHBondContact O-N 3.24Å; G285-K288 PolarHBondContact O-N 3.07Å; G285-S289 WeakPolarHBondContact O-CB 3.38Å; G285-S289 PolarHBondContact O-N 2.89Å; G285-S289 PolarHBondContact O-OG 2.75Å
286	V	97.4	Very high	94.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.6	-39.7	173.8	170.2	0	0	0	0	111	I168 L272 I273 K288 S289 F290 L326 L328 L487 I540	I168-V286 HydrophobicContact CD1-CG1 3.83Å; L272-V286 HydrophobicContact CG-CG2 4.48Å; L272-V286 WeakPolarHBondContact O-CG2 3.27Å; L272-V286 PolarHBondContact O-N 2.79Å; I273-V286 PolarHBondContact O-N 2.88Å; I273-V286 VanDerWaalsContact O-N 3.08Å; V286-K288 VanDerWaalsContact C-N 3.25Å; V286-K288 PolarHBondContact O-N 2.86Å; V286-S289 PolarHBondContact O-N 3.04Å; V286-S289 VanDerWaalsContact O-N 3.14Å; V286-F290 HydrophobicContact CB-CD2 4.44Å; V286-F290 HydrophobicContact CG1-CD2 3.77Å; V286-F290 HydrophobicContact CG1-CE2 4.4Å; V286-F290 HydrophobicContact CG1-CG 4.48Å; V286-F290 PolarHBondContact O-N 2.91Å; V286-L326 HydrophobicContact CG1-CD2 3.55Å; V286-L328 HydrophobicContact CG1-CD2 4.13Å; V286-L328 HydrophobicContact CG2-CD1 4.17Å; V286-L328 HydrophobicContact CG2-CD2 4.27Å; V286-L487 HydrophobicContact CG2-CD2 3.64Å; V286-I540 HydrophobicContact CG2-CG1 4.42Å
287	E	97.7	Very high	93.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-54.6	-44.2	178	-72.8	-70	-178.4	0	0	111	R165 I168 R261 Y263 I273 T276 G282 E284 G285 D291	R165-E287 IonicContact CZ-OE2 3.22Å; R165-E287 IonicContact NE-OE2 3.95Å; R165-E287 PolarHBondContact NE-OE2 3.39Å; R165-E287 PolarHBondContact NH2-O 3.35Å; R165-E287 IonicContact NH2-OE2 3.45Å; R165-E287 PolarHBondContact NH2-OE2 2.77Å; I168-E287 HydrophobicContact CD1-CG 4.22Å; I168-E287 WeakPolarHBondContact CD1-OE1 3.31Å; R261-E287 IonicContact CZ-OE1 2.84Å; R261-E287 VanDerWaalsContact CZ-OE1 3.24Å; R261-E287 IonicContact NE-OE1 2.84Å; R261-E287 PolarHBondContact NE-OE1 3.42Å; R261-E287 IonicContact NE-OE2 2.92Å; R261-E287 IonicContact NH2-OE1 3.64Å; R261-E287 PolarHBondContact NH2-OE1 2.82Å; R261-E287 IonicContact NH2-OE2 3.69Å; Y263-E287 HydrophobicContact CE1-CG 4.15Å; I273-E287 HydrophobicContact CG2-CG 4.06Å; I273-E287 WeakPolarHBondContact O-CG 3.42Å; I273-E287 PolarHBondContact O-N 3.43Å; T276-E287 HydrophobicContact CG2-CB 4.35Å; T276-E287 HydrophobicContact CG2-CG 4.26Å; G282-E287 WeakPolarHBondContact CA-O 3.45Å; E284-E287 WeakPolarHBondContact O-CB 3.3Å; E284-E287 PolarHBondContact O-N 3.04Å; G285-E287 VanDerWaalsContact C-N 3.27Å; G285-E287 PolarHBondContact O-N 3.24Å; E287-D291 WeakPolarHBondContact O-CA 3.3Å; E287-D291 WeakPolarHBondContact O-CB 3.27Å; E287-D291 PolarHBondContact O-N 2.88Å
288	K	96.8	Very high	93	Very high	92 Å²	92	59.3 Å²	59.3	40%	0.4	30%	0.299	S	S	.	.	H	α-helix	trans	-70.8	-45.2	175.2	-178.2	60.4	-177.7	175.9	0	113	G282 E284 G285 V286 F290 D291 V488	G282-K288 WeakPolarHBondContact O-CD 3.2Å; E284-K288 PolarHBondContact O-N 2.85Å; G285-K288 PolarHBondContact O-N 3.07Å; V286-K288 VanDerWaalsContact C-N 3.25Å; V286-K288 PolarHBondContact O-N 2.86Å; K288-F290 VanDerWaalsContact C-N 3.31Å; K288-F290 PolarHBondContact O-N 2.96Å; K288-D291 WeakPolarHBondContact O-CB 3.5Å; K288-D291 PolarHBondContact O-N 3.2Å; K288-V488 HydrophobicContact CG-CB 4.44Å; K288-V488 HydrophobicContact CG-CG2 4.04Å
289	S	96.3	Very high	92.6	Very high	35 Å²	35	55.7 Å²	55.7	25%	0.245	28%	0.277	C	S	.	.	H	α-helix	trans	-70.9	-31.7	-168.3	-48.7	0	0	0	0	112.3	G285 V286 G486 L487 V488	G285-S289 WeakPolarHBondContact O-CB 3.38Å; G285-S289 PolarHBondContact O-N 2.89Å; G285-S289 PolarHBondContact O-OG 2.75Å; V286-S289 PolarHBondContact O-N 3.04Å; V286-S289 VanDerWaalsContact O-N 3.14Å; S289-G486 WeakPolarHBondContact CB-O 3.4Å; S289-G486 PolarHBondContact OG-O 3.29Å; S289-L487 WeakPolarHBondContact OG-CA 3.38Å; S289-V488 PolarHBondContact OG-N 3.49Å
290	F	96.2	Very high	92.3	Very high	46 Å²	46	55.6 Å²	55.6	20%	0.202	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	21.6	178.2	-64.5	-94	0	0	0	112.2	V286 K288 K292 W293 L294 L326 I540 T541	V286-F290 HydrophobicContact CB-CD2 4.44Å; V286-F290 HydrophobicContact CG1-CD2 3.77Å; V286-F290 HydrophobicContact CG1-CE2 4.4Å; V286-F290 HydrophobicContact CG1-CG 4.48Å; V286-F290 PolarHBondContact O-N 2.91Å; K288-F290 VanDerWaalsContact C-N 3.31Å; K288-F290 PolarHBondContact O-N 2.96Å; F290-K292 VanDerWaalsContact C-N 3.3Å; F290-K292 PolarHBondContact O-N 3.11Å; F290-W293 HydrophobicContact CB-CB 4.36Å; F290-W293 WeakPolarHBondContact O-CA 3.45Å; F290-W293 WeakPolarHBondContact O-CB 3.34Å; F290-W293 PolarHBondContact O-N 3.48Å; F290-L294 HydrophobicContact CB-CD1 4.03Å; F290-L294 HydrophobicContact CB-CG 4.24Å; F290-L294 WeakPolarHBondContact O-CG 3.37Å; F290-L294 PolarHBondContact O-N 2.68Å; F290-L326 HydrophobicContact CB-CD2 3.88Å; F290-L326 HydrophobicContact CD1-CD1 4.01Å; F290-L326 HydrophobicContact CD1-CD2 3.91Å; F290-L326 HydrophobicContact CD2-CD2 3.88Å; F290-L326 HydrophobicContact CE1-CD1 4.22Å; F290-L326 HydrophobicContact CE1-CD2 4.43Å; F290-L326 HydrophobicContact CE2-CD2 4.41Å; F290-L326 HydrophobicContact CG-CD2 3.6Å; F290-I540 HydrophobicContact CE2-CG2 4.16Å; F290-I540 HydrophobicContact CZ-CG2 4.22Å; F290-T541 HydrophobicContact CE1-CG2 3.93Å; F290-T541 HydrophobicContact CZ-CG2 3.76Å
291	D	96.1	Very high	92	Very high	33 Å²	33	58.4 Å²	58.4	18%	0.176	28%	0.281	C	S	.	.	H	α-helix	trans	-55.6	-43.6	-172.9	-172.3	52.3	0	0	0	113	R165 G282 E287 K288 W293 L294 T295	R165-D291 IonicContact CZ-OD1 2.77Å; R165-D291 VanDerWaalsContact CZ-OD1 3.27Å; R165-D291 IonicContact NH1-OD1 2.9Å; R165-D291 PolarHBondContact NH1-OD1 3.13Å; R165-D291 IonicContact NH2-OD1 3.62Å; R165-D291 PolarHBondContact NH2-OD1 3.31Å; G282-D291 PolarHBondContact N-OD1 3.11Å; E287-D291 WeakPolarHBondContact O-CA 3.3Å; E287-D291 WeakPolarHBondContact O-CB 3.27Å; E287-D291 PolarHBondContact O-N 2.88Å; K288-D291 WeakPolarHBondContact O-CB 3.5Å; K288-D291 PolarHBondContact O-N 3.2Å; D291-W293 VanDerWaalsContact C-N 3.3Å; D291-W293 PolarHBondContact O-N 3.29Å; D291-L294 PolarHBondContact O-N 2.92Å; D291-T295 WeakPolarHBondContact O-CB 3.43Å; D291-T295 PolarHBondContact O-N 3.14Å; D291-T295 PolarHBondContact O-OG1 2.97Å
292	K	93.3	Very high	91.6	Very high	198 Å²	198	55.4 Å²	55.4	86%	0.861	27%	0.268	S	S	*	.	H	α-helix	trans	-64.4	-32.4	176.8	-67	-175.2	179.2	-178.4	0	113.4	F290	F290-K292 VanDerWaalsContact C-N 3.3Å; F290-K292 PolarHBondContact O-N 3.11Å
293	W	93.3	Very high	91.2	Very high	126 Å²	126	55.4 Å²	55.4	48%	0.477	27%	0.268	S	S	.	.	H	α-helix	trans	-76	-40.8	178.8	-176.7	-91.3	0	0	0	111.2	F290 D291 T295 H324 N325	F290-W293 HydrophobicContact CB-CB 4.36Å; F290-W293 WeakPolarHBondContact O-CA 3.45Å; F290-W293 WeakPolarHBondContact O-CB 3.34Å; F290-W293 PolarHBondContact O-N 3.48Å; D291-W293 VanDerWaalsContact C-N 3.3Å; D291-W293 PolarHBondContact O-N 3.29Å; W293-T295 VanDerWaalsContact C-N 3.33Å; W293-H324 HydrophobicContact CD2-CB 4.02Å; W293-H324 VanDerWaalsContact CE2-CB 3.46Å; W293-H324 HydrophobicContact CG-CB 4.19Å; W293-H324 HydrophobicContact CZ2-CB 3.86Å; W293-H324 VanDerWaalsContact NE1-CB 3.29Å; W293-H324 PolarHBondContact O-N 2.96Å; W293-N325 PolarHBondContact NE1-O 2.87Å
294	L	95.5	Very high	91	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-80.1	-14.7	-178.7	-65.4	169.1	0	0	0	113.1	R165 G166 I168 F290 D291 A323 L326	R165-L294 WeakPolarHBondContact CA-O 3.28Å; R165-L294 HydrophobicContact CG-CB 4.11Å; R165-L294 WeakPolarHBondContact CG-O 3.37Å; G166-L294 PolarHBondContact N-O 3.4Å; I168-L294 HydrophobicContact CD1-CD1 3.8Å; I168-L294 HydrophobicContact CG1-CD1 4.04Å; I168-L294 HydrophobicContact CG1-CD2 3.84Å; F290-L294 HydrophobicContact CB-CD1 4.03Å; F290-L294 HydrophobicContact CB-CG 4.24Å; F290-L294 WeakPolarHBondContact O-CG 3.37Å; F290-L294 PolarHBondContact O-N 2.68Å; D291-L294 PolarHBondContact O-N 2.92Å; L294-A323 WeakPolarHBondContact O-CB 3.24Å; L294-L326 HydrophobicContact CD2-CB 3.91Å
295	T	92.2	Very high	90.5	Very high	66 Å²	66	54.1 Å²	54.1	41%	0.405	26%	0.257	S	S	.	.			trans	-97.3	114	178.7	-56.1	0	0	0	0	109.6	R165 D291 W293	R165-T295 PolarHBondContact NH1-OG1 3.28Å; D291-T295 WeakPolarHBondContact O-CB 3.43Å; D291-T295 PolarHBondContact O-N 3.14Å; D291-T295 PolarHBondContact O-OG1 2.97Å; W293-T295 VanDerWaalsContact C-N 3.33Å
296	G	85.6	Confident	90	Very high	8 Å²	8	55.5 Å²	55.5	8%	0.082	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-74.5	164.6	168.5	0	0	0	0	0	111.3	Q321	G296-Q321 CarbonylContact C-O 3.54Å; G296-Q321 WeakPolarHBondContact CA-O 3.5Å
297	Q	84.3	Confident	89.1	Confident	116 Å²	116	67.2 Å²	67.2	54%	0.542	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-88.5	123.8	173	-58.7	-174.9	0.3	0	0	109.1	S320 Q321	Q297-S320 CarbonylContact O-C 3.58Å; Q297-S320 WeakPolarHBondContact O-CA 3.49Å; Q297-S320 WeakPolarHBondContact O-CB 3.3Å; Q297-Q321 HydrophobicContact CB-CB 3.97Å; Q297-Q321 HydrophobicContact CB-CG 4.26Å; Q297-Q321 VanDerWaalsContact CD-OE1 3.23Å; Q297-Q321 HydrophobicContact CG-CB 4.37Å; Q297-Q321 PolarHBondContact N-O 2.95Å; Q297-Q321 PolarHBondContact O-N 2.78Å
298	P	81.7	Confident	88.1	Confident	71 Å²	71	76.3 Å²	76.3	46%	0.461	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-62.1	141.5	175.5	26.2	-32.1	0	0	0	109.9	V161	V161-P298 WeakPolarHBondContact O-CA 3.31Å
299	G	81.8	Confident	87	Confident	1 Å²	1	74 Å²	74	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	160.9	171.6	0	0	0	0	0	110.1	Q160 V161 T318 S320	Q160-G299 WeakPolarHBondContact CA-O 3.25Å; V161-G299 PolarHBondContact N-O 2.93Å; V161-G299 PolarHBondContact O-N 2.96Å; G299-T318 CarbonylContact C-O 3.56Å; G299-T318 WeakPolarHBondContact CA-O 3.45Å; G299-S320 VanDerWaalsContact N-CB 3.3Å
300	E	83.5	Confident	86.3	Confident	84 Å²	84	79.8 Å²	79.8	39%	0.393	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.4	179.4	-168.8	177.6	159	0	0	109.9	V158 S317 T318	V158-E300 HydrophobicContact CG1-CG 3.44Å; V158-E300 VanDerWaalsContact CG1-CG 3.44Å; V158-E300 WeakPolarHBondContact CG1-OE1 3.09Å; E300-S317 CarbonylContact O-C 3.59Å; E300-S317 WeakPolarHBondContact O-CA 3Å; E300-T318 PolarHBondContact N-O 3.05Å; E300-T318 PolarHBondContact O-N 3.04Å
301	R	83.9	Confident	85.7	Confident	81 Å²	81	80.5 Å²	80.5	31%	0.306	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	118.1	172.8	-167.9	-174.2	172.4	-172	-1.5	109.2	Q159 V303 D314 S316	Q159-R301 HydrophobicContact CB-CB 4.48Å; Q159-R301 PolarHBondContact N-O 3.32Å; Q159-R301 PolarHBondContact O-N 3.28Å; R301-V303 HydrophobicContact CB-CG1 4.47Å; R301-V303 HydrophobicContact CG-CG1 3.64Å; R301-D314 IonicContact CZ-OD1 3.39Å; R301-D314 IonicContact CZ-OD2 4Å; R301-D314 VanDerWaalsContact NE-CG 3.33Å; R301-D314 IonicContact NE-OD1 2.78Å; R301-D314 PolarHBondContact NE-OD1 3.04Å; R301-D314 IonicContact NE-OD2 3.77Å; R301-D314 PolarHBondContact NE-OD2 3.4Å; R301-D314 IonicContact NH2-OD1 3.05Å; R301-D314 PolarHBondContact NH2-OD1 2.88Å; R301-D314 IonicContact NH2-OD2 2.89Å; R301-D314 PolarHBondContact NH2-OD2 2.99Å; R301-S316 WeakPolarHBondContact CA-O 3.1Å
302	I	86.5	Confident	85.3	Confident	43 Å²	43	84.1 Å²	84.1	22%	0.221	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	112	172.6	-54.9	-173.8	0	0	0	107.6	L156 V158 I315 S316	L156-I302 HydrophobicContact CD2-CG2 4.41Å; V158-I302 HydrophobicContact CG2-CG1 4.47Å; I302-I315 HydrophobicContact CB-CB 4.44Å; I302-I315 HydrophobicContact CG2-CB 4.21Å; I302-I315 HydrophobicContact CG2-CD1 4.35Å; I302-I315 PolarHBondContact O-N 3.14Å; I302-S316 WeakPolarHBondContact CB-OG 3.18Å; I302-S316 VanDerWaalsContact CD1-OG 3.31Å; I302-S316 WeakPolarHBondContact CD1-OG 3.5Å; I302-S316 VanDerWaalsContact CG1-OG 3.31Å; I302-S316 WeakPolarHBondContact CG1-OG 3.03Å; I302-S316 PolarHBondContact N-O 3.02Å
303	V	87.8	Confident	84.8	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	142.5	-179	-57.4	0	0	0	0	111	R157 Q159 R301 K305 V311 E313 D314	R157-V303 HydrophobicContact CB-CG2 4.12Å; R157-V303 PolarHBondContact N-O 2.9Å; R157-V303 WeakPolarHBondContact O-CG2 3.37Å; R157-V303 PolarHBondContact O-N 3.39Å; Q159-V303 HydrophobicContact CG-CG2 4Å; R301-V303 HydrophobicContact CB-CG1 4.47Å; R301-V303 HydrophobicContact CG-CG1 3.64Å; V303-K305 HydrophobicContact CG2-CG 4.16Å; V303-V311 HydrophobicContact CB-CG1 3.9Å; V303-V311 HydrophobicContact CB-CG2 4.14Å; V303-V311 HydrophobicContact CG1-CG1 4.11Å; V303-V311 HydrophobicContact CG1-CG2 4.43Å; V303-V311 HydrophobicContact CG2-CG2 4.11Å; V303-E313 WeakPolarHBondContact CA-O 3.43Å; V303-D314 WeakPolarHBondContact CG1-OD1 3.28Å
304	R	89.7	Confident	84.3	Confident	70 Å²	70	77.2 Å²	77.2	26%	0.264	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.8	166.8	-166.5	168.3	-88.6	151.8	-7.2	109.5	D152 S155 L156 V311 I312 E313 I315	D152-R304 IonicContact OD1-NH2 3.66Å; D152-R304 PolarHBondContact OD1-NH2 3.46Å; S155-R304 WeakPolarHBondContact O-CA 3.36Å; S155-R304 PolarHBondContact OG-NE 3.45Å; L156-R304 HydrophobicContact CD2-CB 4.34Å; R304-V311 WeakPolarHBondContact O-CA 3.35Å; R304-I312 HydrophobicContact CB-CD1 4.49Å; R304-I312 HydrophobicContact CB-CG1 3.98Å; R304-I312 HydrophobicContact CG-CD1 3.93Å; R304-I312 HydrophobicContact CG-CG1 3.96Å; R304-I312 WeakPolarHBondContact O-CG1 3.42Å; R304-I312 PolarHBondContact O-N 3.31Å; R304-E313 HydrophobicContact CB-CB 3.93Å; R304-E313 IonicContact CZ-OE2 3.16Å; R304-E313 PolarHBondContact N-O 3Å; R304-E313 IonicContact NE-OE2 2.65Å; R304-E313 IonicContact NH1-OE2 3.79Å; R304-E313 PolarHBondContact NH1-OE2 2.92Å; R304-I315 HydrophobicContact CB-CD1 4.14Å
305	K	85.7	Confident	83.8	Confident	58 Å²	58	80.8 Å²	80.8	25%	0.252	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	145.6	179.2	-64.3	-170.6	-179.9	-170.7	0	112.4	S155 R157 V303 R310 V311	S155-K305 PolarHBondContact O-N 2.99Å; R157-K305 HydrophobicContact CB-CD 4.46Å; R157-K305 HydrophobicContact CG-CD 4.12Å; R157-K305 HydrophobicContact CG-CG 4.43Å; V303-K305 HydrophobicContact CG2-CG 4.16Å; K305-R310 CarbonylContact C-O 3.32Å; K305-R310 VanDerWaalsContact CA-O 3.23Å; K305-R310 WeakPolarHBondContact CA-O 3.41Å; K305-V311 HydrophobicContact CG-CG2 4.26Å
306	D	84.8	Confident	83.4	Confident	37 Å²	37	80 Å²	80	20%	0.198	38%	0.381	C	S	.	.			trans	-79.9	179.2	170.3	76.1	2.4	0	0	0	112.5	Y308 G309 R310 I312	D306-Y308 PolarHBondContact O-N 2.82Å; D306-Y308 VanDerWaalsContact OD1-C 3.27Å; D306-Y308 VanDerWaalsContact OD1-CA 3.32Å; D306-Y308 WeakPolarHBondContact OD1-CA 3.49Å; D306-Y308 WeakPolarHBondContact OD1-CB 3.34Å; D306-Y308 PolarHBondContact OD1-N 2.91Å; D306-G309 PolarHBondContact O-N 3.44Å; D306-G309 PolarHBondContact OD1-N 3.03Å; D306-R310 PolarHBondContact N-O 3.16Å; D306-R310 PolarHBondContact OD1-N 3.21Å; D306-R310 IonicContact OD1-NE 3.95Å; D306-R310 IonicContact OD2-CZ 3.19Å; D306-R310 IonicContact OD2-NE 2.77Å; D306-R310 PolarHBondContact OD2-NE 2.65Å; D306-R310 IonicContact OD2-NH2 2.74Å; D306-R310 PolarHBondContact OD2-NH2 2.89Å; D306-I312 HydrophobicContact CB-CG2 3.95Å
307	R	78.2	Confident	83.2	Confident	246 Å²	246	83.3 Å²	83.3	93%	0.928	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-18	179.1	-160.7	179.3	-177.2	-172.3	0.8	113.5
308	Y	77.3	Confident	83.1	Confident	192 Å²	192	82 Å²	82	75%	0.753	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	1.2	177.3	-55.8	-76	0	0	0	112.4	D306 R310	D306-Y308 PolarHBondContact O-N 2.82Å; D306-Y308 VanDerWaalsContact OD1-C 3.27Å; D306-Y308 VanDerWaalsContact OD1-CA 3.32Å; D306-Y308 WeakPolarHBondContact OD1-CA 3.49Å; D306-Y308 WeakPolarHBondContact OD1-CB 3.34Å; D306-Y308 PolarHBondContact OD1-N 2.91Å; Y308-R310 VanDerWaalsContact C-N 3.35Å
309	G	73.3	Confident	83	Confident	43 Å²	43	85.1 Å²	85.1	44%	0.443	42%	0.416	S	S	.	.	S	Bend	trans	81.9	7.4	179	0	0	0	0	0	114.9	D306	D306-G309 PolarHBondContact O-N 3.44Å; D306-G309 PolarHBondContact OD1-N 3.03Å
310	R	82.3	Confident	82.8	Confident	157 Å²	157	87.4 Å²	87.4	59%	0.592	43%	0.431	S	S	*	.			trans	-76.6	137.7	176.1	-59.6	177.6	-64.9	-173.1	2.7	109.3	K305 D306 Y308 I312	K305-R310 CarbonylContact C-O 3.32Å; K305-R310 VanDerWaalsContact CA-O 3.23Å; K305-R310 WeakPolarHBondContact CA-O 3.41Å; D306-R310 PolarHBondContact N-O 3.16Å; D306-R310 PolarHBondContact OD1-N 3.21Å; D306-R310 IonicContact OD1-NE 3.95Å; D306-R310 IonicContact OD2-CZ 3.19Å; D306-R310 IonicContact OD2-NE 2.77Å; D306-R310 PolarHBondContact OD2-NE 2.65Å; D306-R310 IonicContact OD2-NH2 2.74Å; D306-R310 PolarHBondContact OD2-NH2 2.89Å; Y308-R310 VanDerWaalsContact C-N 3.35Å; R310-I312 PolarHBondContact O-N 3.37Å
311	V	83.8	Confident	82.7	Confident	61 Å²	61	88.8 Å²	88.8	37%	0.37	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	122.3	173.4	176.1	0	0	0	0	108	V303 R304 K305	V303-V311 HydrophobicContact CB-CG1 3.9Å; V303-V311 HydrophobicContact CB-CG2 4.14Å; V303-V311 HydrophobicContact CG1-CG1 4.11Å; V303-V311 HydrophobicContact CG1-CG2 4.43Å; V303-V311 HydrophobicContact CG2-CG2 4.11Å; R304-V311 WeakPolarHBondContact O-CA 3.35Å; K305-V311 HydrophobicContact CG-CG2 4.26Å
312	I	86.1	Confident	82.6	Confident	108 Å²	108	88.4 Å²	88.4	55%	0.554	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	-22.8	178.9	59.9	171.1	0	0	0	112.5	R304 D306 R310	R304-I312 HydrophobicContact CB-CD1 4.49Å; R304-I312 HydrophobicContact CB-CG1 3.98Å; R304-I312 HydrophobicContact CG-CD1 3.93Å; R304-I312 HydrophobicContact CG-CG1 3.96Å; R304-I312 WeakPolarHBondContact O-CG1 3.42Å; R304-I312 PolarHBondContact O-N 3.31Å; D306-I312 HydrophobicContact CB-CG2 3.95Å; R310-I312 PolarHBondContact O-N 3.37Å
313	E	84.4	Confident	82.5	Confident	89 Å²	89	87.1 Å²	87.1	42%	0.416	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	134.8	-175.9	-169.8	-178.5	-170.4	0	0	110.3	V303 R304 I315	V303-E313 WeakPolarHBondContact CA-O 3.43Å; R304-E313 HydrophobicContact CB-CB 3.93Å; R304-E313 IonicContact CZ-OE2 3.16Å; R304-E313 PolarHBondContact N-O 3Å; R304-E313 IonicContact NE-OE2 2.65Å; R304-E313 IonicContact NH1-OE2 3.79Å; R304-E313 PolarHBondContact NH1-OE2 2.92Å; E313-I315 HydrophobicContact CG-CG1 4.09Å
314	D	83	Confident	82.7	Confident	90 Å²	90	92.3 Å²	92.3	48%	0.481	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	109.3	167.3	-75.1	-29.9	0	0	0	108.9	R301 V303	R301-D314 IonicContact CZ-OD1 3.39Å; R301-D314 IonicContact CZ-OD2 4Å; R301-D314 VanDerWaalsContact NE-CG 3.33Å; R301-D314 IonicContact NE-OD1 2.78Å; R301-D314 PolarHBondContact NE-OD1 3.04Å; R301-D314 IonicContact NE-OD2 3.77Å; R301-D314 PolarHBondContact NE-OD2 3.4Å; R301-D314 IonicContact NH2-OD1 3.05Å; R301-D314 PolarHBondContact NH2-OD1 2.88Å; R301-D314 IonicContact NH2-OD2 2.89Å; R301-D314 PolarHBondContact NH2-OD2 2.99Å; V303-D314 WeakPolarHBondContact CG1-OD1 3.28Å
315	I	83.6	Confident	83	Confident	75 Å²	75	94 Å²	94	39%	0.385	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-44	-173.3	-67.6	161.6	0	0	0	110.4	L156 I302 R304 E313	L156-I315 HydrophobicContact CD2-CD1 3.06Å; L156-I315 HydrophobicContact CG-CD1 4.49Å; I302-I315 HydrophobicContact CB-CB 4.44Å; I302-I315 HydrophobicContact CG2-CB 4.21Å; I302-I315 HydrophobicContact CG2-CD1 4.35Å; I302-I315 PolarHBondContact O-N 3.14Å; R304-I315 HydrophobicContact CB-CD1 4.14Å; E313-I315 HydrophobicContact CG-CG1 4.09Å
316	S	83.6	Confident	83.5	Confident	51 Å²	51	91.9 Å²	91.9	36%	0.357	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	151.3	174.1	65.8	0	0	0	0	110.8	R301 I302	R301-S316 WeakPolarHBondContact CA-O 3.1Å; I302-S316 WeakPolarHBondContact CB-OG 3.18Å; I302-S316 VanDerWaalsContact CD1-OG 3.31Å; I302-S316 WeakPolarHBondContact CD1-OG 3.5Å; I302-S316 VanDerWaalsContact CG1-OG 3.31Å; I302-S316 WeakPolarHBondContact CG1-OG 3.03Å; I302-S316 PolarHBondContact N-O 3.02Å
317	S	81.9	Confident	84.1	Confident	76 Å²	76	92.1 Å²	92.1	53%	0.531	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	120.3	174	-171.2	0	0	0	0	108.5	E300	E300-S317 CarbonylContact O-C 3.59Å; E300-S317 WeakPolarHBondContact O-CA 3Å
318	T	82.4	Confident	85.1	Confident	89 Å²	89	80.4 Å²	80.4	55%	0.546	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.3	168.2	-57.4	0	0	0	0	107.3	G299 E300	G299-T318 CarbonylContact C-O 3.56Å; G299-T318 WeakPolarHBondContact CA-O 3.45Å; E300-T318 PolarHBondContact N-O 3.05Å; E300-T318 PolarHBondContact O-N 3.04Å
319	D	78.8	Confident	86	Confident	137 Å²	137	71.3 Å²	71.3	73%	0.733	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-64.3	145.4	178.5	-68.1	-26.5	0	0	0	111.4
320	S	79.1	Confident	87.2	Confident	48 Å²	48	69.2 Å²	69.2	34%	0.336	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-69.1	138	173.3	59.6	0	0	0	0	110.7	Q297 G299	Q297-S320 CarbonylContact O-C 3.58Å; Q297-S320 WeakPolarHBondContact O-CA 3.49Å; Q297-S320 WeakPolarHBondContact O-CB 3.3Å; G299-S320 VanDerWaalsContact N-CB 3.3Å
321	Q	80.9	Confident	88	Confident	113 Å²	113	62 Å²	62	53%	0.528	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-84.5	118.2	166.8	-61	-178.8	0.1	0	0	108.8	G296 Q297	G296-Q321 CarbonylContact C-O 3.54Å; G296-Q321 WeakPolarHBondContact CA-O 3.5Å; Q297-Q321 HydrophobicContact CB-CB 3.97Å; Q297-Q321 HydrophobicContact CB-CG 4.26Å; Q297-Q321 VanDerWaalsContact CD-OE1 3.23Å; Q297-Q321 HydrophobicContact CG-CB 4.37Å; Q297-Q321 PolarHBondContact N-O 2.95Å; Q297-Q321 PolarHBondContact O-N 2.78Å
322	A	80.7	Confident	88.7	Confident	73 Å²	73	61.5 Å²	61.5	60%	0.603	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-59.6	143.2	178.1	0	0	0	0	0	111
323	A	85.8	Confident	89.2	Confident	17 Å²	17	61.7 Å²	61.7	14%	0.14	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-63.5	150.2	170.2	0	0	0	0	0	111.4	S164 L294	S164-A323 VanDerWaalsContact O-CB 3.3Å; S164-A323 WeakPolarHBondContact O-CB 3.49Å; L294-A323 WeakPolarHBondContact O-CB 3.24Å
324	H	92.1	Very high	89.9	Confident	108 Å²	108	57.5 Å²	57.5	50%	0.5	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-86.8	140.2	172.9	-60.7	-73.3	0	0	0	111	W293	W293-H324 HydrophobicContact CD2-CB 4.02Å; W293-H324 VanDerWaalsContact CE2-CB 3.46Å; W293-H324 HydrophobicContact CG-CB 4.19Å; W293-H324 HydrophobicContact CZ2-CB 3.86Å; W293-H324 VanDerWaalsContact NE1-CB 3.29Å; W293-H324 PolarHBondContact O-N 2.96Å
325	N	95.3	Very high	90.7	Very high	105 Å²	105	53.3 Å²	53.3	56%	0.561	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-75	156.6	168.7	-64.9	-24.8	0	0	0	110.2	M167 W293	M167-N325 WeakPolarHBondContact CB-OD1 3.4Å; M167-N325 PolarHBondContact N-OD1 2.89Å; M167-N325 CarbonylContact O-C 3.49Å; M167-N325 VanDerWaalsContact O-CA 3.3Å; M167-N325 WeakPolarHBondContact O-CA 3.43Å; W293-N325 PolarHBondContact NE1-O 2.87Å
326	L	96.5	Very high	91.4	Very high	14 Å²	14	51.3 Å²	51.3	7%	0.073	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	120.2	179.4	-175.3	69.3	0	0	0	110.2	M167 I168 T169 V286 F290 L294 L328 T541	M167-L326 PolarHBondContact O-N 3Å; I168-L326 CarbonylContact C-O 3.51Å; I168-L326 WeakPolarHBondContact CA-O 3.35Å; I168-L326 HydrophobicContact CG1-CB 4.48Å; T169-L326 PolarHBondContact N-O 3.29Å; V286-L326 HydrophobicContact CG1-CD2 3.55Å; F290-L326 HydrophobicContact CB-CD2 3.88Å; F290-L326 HydrophobicContact CD1-CD1 4.01Å; F290-L326 HydrophobicContact CD1-CD2 3.91Å; F290-L326 HydrophobicContact CD2-CD2 3.88Å; F290-L326 HydrophobicContact CE1-CD1 4.22Å; F290-L326 HydrophobicContact CE1-CD2 4.43Å; F290-L326 HydrophobicContact CE2-CD2 4.41Å; F290-L326 HydrophobicContact CG-CD2 3.6Å; L294-L326 HydrophobicContact CD2-CB 3.91Å; L326-L328 HydrophobicContact CD2-CD2 3.83Å; L326-L328 HydrophobicContact CG-CD2 4.07Å; L326-T541 HydrophobicContact CD1-CG2 3.82Å; L326-T541 HydrophobicContact CG-CG2 4.48Å
327	A	97.8	Very high	92.1	Very high	43 Å²	43	49.8 Å²	49.8	36%	0.355	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.7	172.8	0	0	0	0	0	110.4	K542	A327-K542 PolarHBondContact O-N 3.33Å
328	L	98	Very high	92.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-80.4	157.6	174.6	-58	-172.6	0	0	0	111.3	I168 T169 D170 R171 L176 L272 I273 V286 L326 I330 I540 T541	I168-L328 HydrophobicContact CG2-CD1 3.71Å; I168-L328 HydrophobicContact CG2-CD2 4.31Å; I168-L328 HydrophobicContact CG2-CG 3.72Å; T169-L328 PolarHBondContact O-N 2.87Å; D170-L328 CarbonylContact C-O 3.49Å; R171-L328 VanDerWaalsContact CA-O 3.27Å; R171-L328 WeakPolarHBondContact CA-O 3.17Å; R171-L328 WeakPolarHBondContact CB-O 2.95Å; R171-L328 PolarHBondContact N-O 2.69Å; R171-L328 VanDerWaalsContact N-O 3.11Å; L176-L328 HydrophobicContact CD1-CD1 4.04Å; L272-L328 HydrophobicContact CD2-CD1 4.11Å; I273-L328 HydrophobicContact CD1-CD1 3.48Å; I273-L328 VanDerWaalsContact CD1-CD1 3.48Å; V286-L328 HydrophobicContact CG1-CD2 4.13Å; V286-L328 HydrophobicContact CG2-CD1 4.17Å; V286-L328 HydrophobicContact CG2-CD2 4.27Å; L326-L328 HydrophobicContact CD2-CD2 3.83Å; L326-L328 HydrophobicContact CG-CD2 4.07Å; L328-I330 HydrophobicContact CB-CB 4.25Å; L328-I330 HydrophobicContact CB-CG1 4.13Å; L328-I330 HydrophobicContact CD1-CG1 4.46Å; L328-I330 PolarHBondContact O-N 2.93Å; L328-I540 CarbonylContact C-O 3.47Å; L328-I540 WeakPolarHBondContact CA-O 3.34Å; L328-I540 WeakPolarHBondContact CB-O 2.96Å; L328-T541 HydrophobicContact CD2-CG2 4.47Å
329	S	97.9	Very high	93.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-74.4	-11.8	172.9	50.9	0	0	0	0	113.3	R171 V366 S539 I540 T541	R171-S329 WeakPolarHBondContact CD-O 3.32Å; R171-S329 PolarHBondContact NH1-O 3.4Å; S329-V366 CarbonylContact C-O 3.55Å; S329-V366 PolarHBondContact OG-O 2.7Å; S329-S539 PolarHBondContact OG-O 3.49Å; S329-I540 PolarHBondContact N-O 3.01Å; S329-I540 WeakPolarHBondContact OG-CA 3.32Å; S329-I540 PolarHBondContact OG-O 2.92Å; S329-T541 WeakPolarHBondContact CB-O 3.36Å
330	I	98.4	Very high	94.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.			trans	-60.9	134.7	179.9	-59.2	-73.2	0	0	0	111	D170 R171 L272 L328 Q335 V366 L367 I540	D170-I330 VanDerWaalsContact CB-O 3.3Å; D170-I330 WeakPolarHBondContact CB-O 3.48Å; R171-I330 WeakPolarHBondContact CB-O 3.34Å; R171-I330 WeakPolarHBondContact CG-O 3.34Å; R171-I330 PolarHBondContact N-O 2.88Å; L272-I330 HydrophobicContact CD2-CD1 3.66Å; L272-I330 HydrophobicContact CD2-CG1 3.48Å; L272-I330 VanDerWaalsContact CD2-CG1 3.48Å; L328-I330 HydrophobicContact CB-CB 4.25Å; L328-I330 HydrophobicContact CB-CG1 4.13Å; L328-I330 HydrophobicContact CD1-CG1 4.46Å; L328-I330 PolarHBondContact O-N 2.93Å; I330-Q335 HydrophobicContact CG2-CB 3.96Å; I330-Q335 HydrophobicContact CG2-CG 4.37Å; I330-V366 HydrophobicContact CD1-CG1 4.25Å; I330-V366 WeakPolarHBondContact CD1-O 3.32Å; I330-L367 WeakPolarHBondContact CA-O 3.35Å; I330-I540 HydrophobicContact CD1-CD1 3.87Å; I330-I540 HydrophobicContact CG1-CD1 3.96Å
331	D	98.4	Very high	95.5	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	22%	0.22	C	C	.	.			trans	-97.8	116.5	163.4	-170.7	-55.1	0	0	0	108	R171 R174 R333 L334 Q335 L367	R171-D331 HydrophobicContact CG-CB 4.18Å; R174-D331 IonicContact NH2-OD1 3.7Å; R174-D331 PolarHBondContact NH2-OD1 3.29Å; R174-D331 VanDerWaalsContact NH2-OD1 3.16Å; R174-D331 IonicContact NH2-OD2 2.7Å; D331-R333 PolarHBondContact O-N 3.23Å; D331-R333 VanDerWaalsContact OD1-CB 3.27Å; D331-R333 WeakPolarHBondContact OD1-CB 3.43Å; D331-R333 PolarHBondContact OD1-N 3Å; D331-R333 IonicContact OD1-NE 3.82Å; D331-R333 PolarHBondContact OD1-NE 3.42Å; D331-R333 IonicContact OD1-NH2 2.86Å; D331-R333 IonicContact OD2-CZ 3.96Å; D331-R333 IonicContact OD2-NE 3.19Å; D331-R333 IonicContact OD2-NH2 3.8Å; D331-R333 PolarHBondContact OD2-NH2 2.74Å; D331-R333 VanDerWaalsContact OD2-NH2 3.08Å; D331-L334 HydrophobicContact CB-CB 4.02Å; D331-L334 HydrophobicContact CB-CD1 3.9Å; D331-L334 HydrophobicContact CB-CG 3.81Å; D331-L334 PolarHBondContact O-N 3.26Å; D331-L334 VanDerWaalsContact O-N 3.12Å; D331-L334 PolarHBondContact OD1-N 3.43Å; D331-Q335 WeakPolarHBondContact O-CB 3.38Å; D331-Q335 PolarHBondContact O-N 3.44Å; D331-L367 PolarHBondContact N-O 3.08Å
332	E	97.8	Very high	96.4	Very high	51 Å²	51	37.2 Å²	37.2	24%	0.238	20%	0.195	C	C	.	.	H	α-helix	trans	-55.8	-35.2	-178.2	-174.2	-79.2	160.5	0	0	112.7	D170 L176 Q335 A336	D170-E332 HydrophobicContact CB-CB 4.15Å; D170-E332 VanDerWaalsContact OD2-CB 3.24Å; D170-E332 WeakPolarHBondContact OD2-CB 3.34Å; D170-E332 PolarHBondContact OD2-N 3.32Å; L176-E332 HydrophobicContact CD2-CB 4.27Å; L176-E332 HydrophobicContact CD2-CG 4.08Å; E332-Q335 PolarHBondContact O-N 3.33Å; E332-A336 WeakPolarHBondContact O-CB 3.25Å; E332-A336 PolarHBondContact O-N 3.26Å
333	R	97.8	Very high	97.2	Very high	113 Å²	113	36.6 Å²	36.6	43%	0.426	18%	0.182	S	C	.	.	H	α-helix	trans	-70	-42	179.6	-54.5	172.4	-62.9	160	3.8	111.2	D331 L337	D331-R333 PolarHBondContact O-N 3.23Å; D331-R333 VanDerWaalsContact OD1-CB 3.27Å; D331-R333 WeakPolarHBondContact OD1-CB 3.43Å; D331-R333 PolarHBondContact OD1-N 3Å; D331-R333 IonicContact OD1-NE 3.82Å; D331-R333 PolarHBondContact OD1-NE 3.42Å; D331-R333 IonicContact OD1-NH2 2.86Å; D331-R333 IonicContact OD2-CZ 3.96Å; D331-R333 IonicContact OD2-NE 3.19Å; D331-R333 IonicContact OD2-NH2 3.8Å; D331-R333 PolarHBondContact OD2-NH2 2.74Å; D331-R333 VanDerWaalsContact OD2-NH2 3.08Å; R333-L337 WeakPolarHBondContact O-CB 3.29Å; R333-L337 PolarHBondContact O-N 2.98Å
334	L	98.7	Very high	97.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-68.4	-39	175.7	-59.9	-176	0	0	0	110.8	D331 L337 V338 L358 L367 V651 T654 M655	D331-L334 HydrophobicContact CB-CB 4.02Å; D331-L334 HydrophobicContact CB-CD1 3.9Å; D331-L334 HydrophobicContact CB-CG 3.81Å; D331-L334 PolarHBondContact O-N 3.26Å; D331-L334 VanDerWaalsContact O-N 3.12Å; D331-L334 PolarHBondContact OD1-N 3.43Å; L334-L337 PolarHBondContact O-N 2.89Å; L334-V338 WeakPolarHBondContact O-CB 3.44Å; L334-V338 WeakPolarHBondContact O-CG2 3.27Å; L334-V338 PolarHBondContact O-N 3.06Å; L334-L358 HydrophobicContact CB-CD2 4.36Å; L334-L358 HydrophobicContact CD1-CD2 4.1Å; L334-L367 HydrophobicContact CD1-CB 4.22Å; L334-L367 HydrophobicContact CD1-CD1 4.16Å; L334-V651 HydrophobicContact CD2-CB 4.43Å; L334-V651 HydrophobicContact CD2-CG1 4.38Å; L334-V651 HydrophobicContact CD2-CG2 4.19Å; L334-T654 HydrophobicContact CD2-CG2 3.75Å; L334-M655 HydrophobicContact CD1-CG 4.2Å; L334-M655 HydrophobicContact CD1-SD 3.96Å; L334-M655 HydrophobicContact CD2-CG 4.35Å
335	Q	98.7	Very high	98.1	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-60.6	-47.5	175.2	-179.8	71.4	19.1	0	0	111.5	V268 T269 I330 D331 E332 L337 V338 Y339 A368 M369	V268-Q335 HydrophobicContact CG1-CG 3.81Å; V268-Q335 PolarHBondContact O-NE2 3.36Å; T269-Q335 HydrophobicContact CG2-CG 3.88Å; I330-Q335 HydrophobicContact CG2-CB 3.96Å; I330-Q335 HydrophobicContact CG2-CG 4.37Å; D331-Q335 WeakPolarHBondContact O-CB 3.38Å; D331-Q335 PolarHBondContact O-N 3.44Å; E332-Q335 PolarHBondContact O-N 3.33Å; Q335-L337 PolarHBondContact O-N 3.08Å; Q335-V338 PolarHBondContact O-N 3.19Å; Q335-Y339 VanDerWaalsContact O-CB 3.27Å; Q335-Y339 WeakPolarHBondContact O-CB 3.47Å; Q335-Y339 PolarHBondContact O-N 2.91Å; Q335-A368 HydrophobicContact CB-CB 4.36Å; Q335-M369 PolarHBondContact NE2-O 3.21Å; Q335-M369 PolarHBondContact OE1-O 3.18Å
336	A	98.4	Very high	98.2	Very high	34 Å²	34	30.7 Å²	30.7	28%	0.281	15%	0.153	S	C	.	.	H	α-helix	trans	-61.9	-42.4	177.3	0	0	0	0	0	112	V268 E332 R340	V268-A336 HydrophobicContact CG1-CB 4.24Å; E332-A336 WeakPolarHBondContact O-CB 3.25Å; E332-A336 PolarHBondContact O-N 3.26Å; A336-R340 VanDerWaalsContact O-CB 3.3Å; A336-R340 WeakPolarHBondContact O-CB 3.5Å; A336-R340 PolarHBondContact O-N 3.33Å
337	L	98.6	Very high	98.3	Very high	18 Å²	18	33.3 Å²	33.3	9%	0.094	18%	0.177	C	C	.	.	H	α-helix	trans	-58.9	-53.1	173.4	170.8	67.4	0	0	0	111.5	R333 L334 Q335 Y339 R340 E341 G650 V651	R333-L337 WeakPolarHBondContact O-CB 3.29Å; R333-L337 PolarHBondContact O-N 2.98Å; L334-L337 PolarHBondContact O-N 2.89Å; Q335-L337 PolarHBondContact O-N 3.08Å; L337-Y339 VanDerWaalsContact C-N 3.34Å; L337-Y339 PolarHBondContact O-N 3.44Å; L337-R340 VanDerWaalsContact CD1-NH2 3.28Å; L337-R340 PolarHBondContact O-N 3.27Å; L337-E341 HydrophobicContact CD1-CG 4.14Å; L337-E341 WeakPolarHBondContact O-CG 3.32Å; L337-E341 PolarHBondContact O-N 3.46Å; L337-G650 VanDerWaalsContact CD2-C 3.42Å; L337-V651 HydrophobicContact CD2-CG2 4.18Å
338	V	98.8	Very high	98.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.6	-46.5	-179	169.9	0	0	0	0	110.6	L334 Q335 L342 A356 A368 A370 I647	L334-V338 WeakPolarHBondContact O-CB 3.44Å; L334-V338 WeakPolarHBondContact O-CG2 3.27Å; L334-V338 PolarHBondContact O-N 3.06Å; Q335-V338 PolarHBondContact O-N 3.19Å; V338-L342 WeakPolarHBondContact O-CB 3.18Å; V338-L342 PolarHBondContact O-N 3.28Å; V338-A356 HydrophobicContact CG1-CB 3.63Å; V338-A368 HydrophobicContact CB-CB 4.12Å; V338-A368 HydrophobicContact CG1-CB 4.43Å; V338-A368 HydrophobicContact CG2-CB 3.76Å; V338-A370 HydrophobicContact CG1-CB 3.87Å; V338-I647 HydrophobicContact CG1-CD1 4.27Å; V338-I647 HydrophobicContact CG2-CG2 3.59Å
339	Y	98.6	Very high	98.3	Very high	28 Å²	28	39.8 Å²	39.8	11%	0.11	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-46.7	178	175.5	-98.9	0	0	0	111.8	E267 V268 Q335 L337 L342 N343 A370	E267-Y339 PolarHBondContact OE2-OH 3.12Å; V268-Y339 HydrophobicContact CB-CD1 4.34Å; V268-Y339 HydrophobicContact CB-CG 4.42Å; V268-Y339 HydrophobicContact CG1-CD1 4.47Å; V268-Y339 HydrophobicContact CG1-CG 4.33Å; V268-Y339 HydrophobicContact CG2-CD1 3.78Å; V268-Y339 HydrophobicContact CG2-CE1 4.06Å; V268-Y339 HydrophobicContact CG2-CG 4.35Å; Q335-Y339 VanDerWaalsContact O-CB 3.27Å; Q335-Y339 WeakPolarHBondContact O-CB 3.47Å; Q335-Y339 PolarHBondContact O-N 2.91Å; L337-Y339 VanDerWaalsContact C-N 3.34Å; L337-Y339 PolarHBondContact O-N 3.44Å; Y339-L342 PolarHBondContact O-N 3.09Å; Y339-N343 VanDerWaalsContact O-CB 3.26Å; Y339-N343 WeakPolarHBondContact O-CB 3.39Å; Y339-N343 PolarHBondContact O-N 3.23Å; Y339-A370 HydrophobicContact CD2-CB 4.45Å
340	R	98.5	Very high	98.3	Very high	132 Å²	132	46.8 Å²	46.8	50%	0.498	23%	0.228	S	C	.	.	H	α-helix	trans	-59.1	-52.5	178.9	-177.3	-171.6	71.4	-155.7	1.6	111.9	A336 L337 L342 N343 N344	A336-R340 VanDerWaalsContact O-CB 3.3Å; A336-R340 WeakPolarHBondContact O-CB 3.5Å; A336-R340 PolarHBondContact O-N 3.33Å; L337-R340 VanDerWaalsContact CD1-NH2 3.28Å; L337-R340 PolarHBondContact O-N 3.27Å; R340-L342 VanDerWaalsContact C-N 3.32Å; R340-L342 PolarHBondContact O-N 2.86Å; R340-N343 PolarHBondContact O-N 3.37Å; R340-N344 WeakPolarHBondContact O-CB 3.38Å; R340-N344 PolarHBondContact O-N 2.82Å; R340-N344 PolarHBondContact O-ND2 3.3Å
341	E	98.7	Very high	98.2	Very high	39 Å²	39	47.4 Å²	47.4	18%	0.182	23%	0.234	C	C	.	.	H	α-helix	trans	-64.5	-38.3	-178.5	-62.7	-47.8	139.1	0	0	111.9	L337 A345 A646 I647	L337-E341 HydrophobicContact CD1-CG 4.14Å; L337-E341 WeakPolarHBondContact O-CG 3.32Å; L337-E341 PolarHBondContact O-N 3.46Å; E341-A345 VanDerWaalsContact O-CB 3.31Å; E341-A345 WeakPolarHBondContact O-CB 3.44Å; E341-A345 PolarHBondContact O-N 2.84Å; E341-A646 HydrophobicContact CG-CB 4.14Å; E341-I647 HydrophobicContact CB-CD1 4.21Å; E341-I647 HydrophobicContact CB-CG1 3.56Å; E341-I647 HydrophobicContact CG-CG1 3.97Å
342	L	98.5	Very high	98.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-44.4	176.1	-174.1	67.5	0	0	0	111.8	V338 Y339 R340 A345 V346 A356 A370 V624 I626	V338-L342 WeakPolarHBondContact O-CB 3.18Å; V338-L342 PolarHBondContact O-N 3.28Å; Y339-L342 PolarHBondContact O-N 3.09Å; R340-L342 VanDerWaalsContact C-N 3.32Å; R340-L342 PolarHBondContact O-N 2.86Å; L342-A345 WeakPolarHBondContact O-CB 3.45Å; L342-A345 PolarHBondContact O-N 3.4Å; L342-V346 WeakPolarHBondContact O-CG2 3.33Å; L342-V346 PolarHBondContact O-N 3.43Å; L342-A356 HydrophobicContact CD1-CB 4.36Å; L342-A356 HydrophobicContact CD2-CB 4.19Å; L342-A370 HydrophobicContact CD2-CB 4.09Å; L342-A370 WeakPolarHBondContact CD2-O 3.16Å; L342-V624 HydrophobicContact CD1-CG1 4.37Å; L342-I626 HydrophobicContact CD1-CD1 3.86Å
343	N	98	Very high	98.1	Very high	60 Å²	60	49 Å²	49	32%	0.321	24%	0.241	S	C	.	.	H	α-helix	trans	-64.6	-43.8	179.9	-165.5	54.9	0	0	0	111.4	Y339 R340 A345 V346 A347 S372	Y339-N343 VanDerWaalsContact O-CB 3.26Å; Y339-N343 WeakPolarHBondContact O-CB 3.39Å; Y339-N343 PolarHBondContact O-N 3.23Å; R340-N343 PolarHBondContact O-N 3.37Å; N343-A345 VanDerWaalsContact C-N 3.28Å; N343-A345 PolarHBondContact O-N 3.29Å; N343-V346 PolarHBondContact O-N 2.86Å; N343-A347 WeakPolarHBondContact O-CB 3.27Å; N343-A347 PolarHBondContact O-N 3.3Å; N343-S372 PolarHBondContact OD1-OG 3.21Å
344	N	98.3	Very high	98.1	Very high	85 Å²	85	43.7 Å²	43.7	46%	0.455	22%	0.222	S	C	.	.	H	α-helix	trans	-58.1	-42.6	172.8	-71.1	-14	0	0	0	111.3	R340 F348	R340-N344 WeakPolarHBondContact O-CB 3.38Å; R340-N344 PolarHBondContact O-N 2.82Å; R340-N344 PolarHBondContact O-ND2 3.3Å; N344-F348 WeakPolarHBondContact O-CB 3.39Å; N344-F348 PolarHBondContact O-N 3.22Å
345	A	98.1	Very high	98.1	Very high	9 Å²	9	44 Å²	44	7%	0.074	22%	0.224	C	C	.	.	H	α-helix	trans	-66.4	-42.2	179.3	0	0	0	0	0	113.1	E341 L342 N343 N349 I626 V643	E341-A345 VanDerWaalsContact O-CB 3.31Å; E341-A345 WeakPolarHBondContact O-CB 3.44Å; E341-A345 PolarHBondContact O-N 2.84Å; L342-A345 WeakPolarHBondContact O-CB 3.45Å; L342-A345 PolarHBondContact O-N 3.4Å; N343-A345 VanDerWaalsContact C-N 3.28Å; N343-A345 PolarHBondContact O-N 3.29Å; A345-N349 WeakPolarHBondContact O-CB 3.28Å; A345-N349 PolarHBondContact O-N 2.97Å; A345-N349 PolarHBondContact O-ND2 2.81Å; A345-I626 HydrophobicContact CB-CD1 4.13Å; A345-V643 HydrophobicContact CB-CB 4.34Å; A345-V643 HydrophobicContact CB-CG1 4.03Å; A345-V643 HydrophobicContact CB-CG2 3.32Å
346	V	98.2	Very high	98.1	Very high	13 Å²	13	44 Å²	44	8%	0.079	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-46.4	177.2	169.7	0	0	0	0	110.3	L342 N343 K350 A351 I626	L342-V346 WeakPolarHBondContact O-CG2 3.33Å; L342-V346 PolarHBondContact O-N 3.43Å; N343-V346 PolarHBondContact O-N 2.86Å; V346-K350 WeakPolarHBondContact O-CA 3.13Å; V346-K350 PolarHBondContact O-N 3.37Å; V346-K350 VanDerWaalsContact O-N 3.08Å; V346-A351 HydrophobicContact CG1-CB 4.29Å; V346-A351 WeakPolarHBondContact CG1-O 3.22Å; V346-A351 PolarHBondContact O-N 3.31Å; V346-I626 HydrophobicContact CG2-CD1 4.45Å
347	A	98	Very high	98.1	Very high	69 Å²	69	42.3 Å²	42.3	57%	0.57	21%	0.21	S	C	*	.	H	α-helix	trans	-62.5	-50.8	176.6	0	0	0	0	0	112.1	N343 N349 K350	N343-A347 WeakPolarHBondContact O-CB 3.27Å; N343-A347 PolarHBondContact O-N 3.3Å; A347-N349 VanDerWaalsContact C-N 3.32Å; A347-N349 PolarHBondContact O-N 3.48Å; A347-K350 PolarHBondContact O-N 3.12Å; A347-K350 VanDerWaalsContact O-N 3.11Å
348	F	97.7	Very high	98.1	Very high	166 Å²	166	41.5 Å²	41.5	73%	0.728	21%	0.206	S	C	*	.	H	α-helix	trans	-60	-41.1	-178.7	179.4	-94.5	0	0	0	112.5	N344 K350	N344-F348 WeakPolarHBondContact O-CB 3.39Å; N344-F348 PolarHBondContact O-N 3.22Å; F348-K350 VanDerWaalsContact C-N 3.3Å
349	N	97.9	Very high	98.1	Very high	12 Å²	12	41.5 Å²	41.5	6%	0.064	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	0.5	-179.6	-67.7	-80.6	0	0	0	113.5	A345 A347 A351 P629 Q630 A631 V639	A345-N349 WeakPolarHBondContact O-CB 3.28Å; A345-N349 PolarHBondContact O-N 2.97Å; A345-N349 PolarHBondContact O-ND2 2.81Å; A347-N349 VanDerWaalsContact C-N 3.32Å; A347-N349 PolarHBondContact O-N 3.48Å; N349-A351 HydrophobicContact CB-CB 4.42Å; N349-A351 PolarHBondContact O-N 3.39Å; N349-P629 HydrophobicContact CB-CB 3.99Å; N349-Q630 PolarHBondContact O-N 2.84Å; N349-A631 WeakPolarHBondContact O-CB 3.05Å; N349-A631 PolarHBondContact O-N 3.38Å; N349-V639 HydrophobicContact CB-CG1 4.45Å
350	K	97.5	Very high	98.1	Very high	147 Å²	147	40.8 Å²	40.8	64%	0.639	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.2	44.5	-170.6	-59.1	-179	179.6	-176.1	0	111.1	V346 A347 F348 Q630	V346-K350 WeakPolarHBondContact O-CA 3.13Å; V346-K350 PolarHBondContact O-N 3.37Å; V346-K350 VanDerWaalsContact O-N 3.08Å; A347-K350 PolarHBondContact O-N 3.12Å; A347-K350 VanDerWaalsContact O-N 3.11Å; F348-K350 VanDerWaalsContact C-N 3.3Å; K350-Q630 HydrophobicContact CB-CB 4.19Å; K350-Q630 WeakPolarHBondContact O-CB 3.36Å; K350-Q630 WeakPolarHBondContact O-CG 3.44Å; K350-Q630 PolarHBondContact O-N 3.1Å
351	A	97.5	Very high	98.1	Very high	14 Å²	14	34.7 Å²	34.7	12%	0.116	18%	0.181	C	C	.	.			trans	-81.6	151.4	-175.9	0	0	0	0	0	111	V346 N349 S353 I626 D628 P629	V346-A351 HydrophobicContact CG1-CB 4.29Å; V346-A351 WeakPolarHBondContact CG1-O 3.22Å; V346-A351 PolarHBondContact O-N 3.31Å; N349-A351 HydrophobicContact CB-CB 4.42Å; N349-A351 PolarHBondContact O-N 3.39Å; A351-S353 VanDerWaalsContact C-N 3.31Å; A351-I626 HydrophobicContact CB-CG2 3.55Å; A351-D628 WeakPolarHBondContact CA-O 3.38Å; A351-P629 HydrophobicContact CB-CB 4.46Å
352	E	95.8	Very high	98	Very high	87 Å²	87	35.4 Å²	35.4	41%	0.407	19%	0.186	S	C	.	.	S	Bend	trans	-64.9	-38.3	175.3	-176.3	-170	118.1	0	0	111.2	K594 K604 N627 D628	E352-K594 IonicContact OE1-NZ 2.87Å; E352-K594 PolarHBondContact OE1-NZ 3.06Å; E352-K594 IonicContact OE2-NZ 3.87Å; E352-K594 PolarHBondContact OE2-NZ 3.27Å; E352-K604 IonicContact OE2-NZ 2.62Å; E352-N627 PolarHBondContact N-O 3.43Å; E352-N627 PolarHBondContact OE1-ND2 3.1Å; E352-D628 HydrophobicContact CB-CB 3.89Å; E352-D628 PolarHBondContact N-O 3.41Å
353	S	96.9	Very high	97.9	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.014	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	170.1	174.4	39.1	0	0	0	0	112	A351 S372 N627	A351-S353 VanDerWaalsContact C-N 3.31Å; S353-S372 CarbonylContact C-O 3.46Å; S353-S372 WeakPolarHBondContact CA-O 3.38Å; S353-S372 WeakPolarHBondContact CB-O 3.45Å; S353-N627 PolarHBondContact N-O 3.4Å; S353-N627 PolarHBondContact O-N 2.89Å; S353-N627 PolarHBondContact OG-ND2 3.34Å
354	G	97.9	Very high	97.9	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	153.2	170.3	0	0	0	0	0	111.2	N371 S372 V625	G354-N371 CarbonylContact O-C 3.54Å; G354-N371 VanDerWaalsContact O-CA 3.28Å; G354-N371 WeakPolarHBondContact O-CA 3.27Å; G354-S372 PolarHBondContact N-O 3.38Å; G354-S372 PolarHBondContact O-N 2.8Å; G354-V625 CarbonylContact C-O 3.28Å; G354-V625 WeakPolarHBondContact CA-O 3.38Å
355	S	98.6	Very high	97.8	Very high	7 Å²	7	29.5 Å²	29.5	5%	0.049	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	140.8	175.1	-64.1	0	0	0	0	110.1	A370 N371 R391 V625	S355-A370 WeakPolarHBondContact CA-O 3.39Å; S355-N371 PolarHBondContact OG-OD1 3.34Å; S355-R391 WeakPolarHBondContact OG-CB 3.46Å; S355-V625 PolarHBondContact N-O 3.29Å; S355-V625 PolarHBondContact O-N 3.07Å
356	A	98.8	Very high	97.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	140.4	173.8	0	0	0	0	0	111.3	V338 L342 M369 A370 V623 V624 I647	V338-A356 HydrophobicContact CG1-CB 3.63Å; L342-A356 HydrophobicContact CD1-CB 4.36Å; L342-A356 HydrophobicContact CD2-CB 4.19Å; A356-M369 WeakPolarHBondContact O-CA 3.3Å; A356-A370 PolarHBondContact N-O 3.28Å; A356-A370 PolarHBondContact O-N 3.16Å; A356-V623 VanDerWaalsContact CA-O 3.24Å; A356-V623 WeakPolarHBondContact CA-O 3.26Å; A356-V624 HydrophobicContact CB-CG2 4.45Å; A356-I647 HydrophobicContact CB-CD1 4.3Å
357	V	98.8	Very high	97.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	121.7	177.6	-173.2	0	0	0	0	109	V359 V366 T392 P519 L520 A523 L622 V623	V357-V359 HydrophobicContact CG1-CG2 4Å; V357-V366 HydrophobicContact CG1-CG1 4.29Å; V357-T392 HydrophobicContact CG2-CG2 3.71Å; V357-P519 HydrophobicContact CG2-CB 4.39Å; V357-L520 HydrophobicContact CG1-CD1 3.84Å; V357-A523 HydrophobicContact CB-CB 3.9Å; V357-A523 HydrophobicContact CG1-CB 3.76Å; V357-L622 WeakPolarHBondContact O-CA 3.42Å; V357-L622 WeakPolarHBondContact O-CD1 3.49Å; V357-V623 PolarHBondContact N-O 3.49Å; V357-V623 PolarHBondContact O-N 3.5Å
358	L	98.9	Very high	97.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.2	177.3	-179.3	70	0	0	0	109.4	L334 V366 L367 A368 F620 A621 L622 V651	L334-L358 HydrophobicContact CB-CD2 4.36Å; L334-L358 HydrophobicContact CD1-CD2 4.1Å; L358-V366 CarbonylContact O-C 3.54Å; L358-L367 HydrophobicContact CD2-CB 3.94Å; L358-L367 HydrophobicContact CD2-CD1 4.36Å; L358-L367 HydrophobicContact CG-CB 4.13Å; L358-L367 HydrophobicContact CG-CD1 4.46Å; L358-L367 PolarHBondContact O-N 3.37Å; L358-A368 HydrophobicContact CB-CB 4.05Å; L358-A368 HydrophobicContact CD2-CB 4.35Å; L358-A368 PolarHBondContact N-O 2.97Å; L358-A368 PolarHBondContact O-N 2.95Å; L358-F620 HydrophobicContact CD1-CB 4.01Å; L358-A621 WeakPolarHBondContact CA-O 3.31Å; L358-L622 HydrophobicContact CB-CD1 4.33Å; L358-L622 HydrophobicContact CD1-CB 4.2Å; L358-L622 HydrophobicContact CD1-CD1 4.38Å; L358-V651 HydrophobicContact CD1-CG1 4.4Å; L358-V651 HydrophobicContact CD1-CG2 4.25Å; L358-V651 HydrophobicContact CD2-CB 4.49Å; L358-V651 HydrophobicContact CD2-CG1 4.04Å; L358-V651 HydrophobicContact CD2-CG2 3.56Å
359	V	98.8	Very high	98	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136	-175.1	-176.5	0	0	0	0	110.1	V357 V361 E365 V366 A523 A527 L538 F620 A621	V357-V359 HydrophobicContact CG1-CG2 4Å; V359-V361 PolarHBondContact O-N 2.9Å; V359-E365 CarbonylContact C-O 3.44Å; V359-E365 VanDerWaalsContact CA-O 3.31Å; V359-E365 WeakPolarHBondContact CA-O 3.2Å; V359-V366 HydrophobicContact CG2-CG2 4.5Å; V359-A523 HydrophobicContact CG2-CB 4Å; V359-A527 HydrophobicContact CB-CB 4.42Å; V359-A527 HydrophobicContact CG1-CB 3.95Å; V359-L538 HydrophobicContact CG1-CD2 3.81Å; V359-L538 HydrophobicContact CG2-CD2 4.41Å; V359-F620 WeakPolarHBondContact O-CA 3.33Å; V359-A621 HydrophobicContact CB-CB 4.49Å; V359-A621 PolarHBondContact N-O 3.29Å; V359-A621 PolarHBondContact O-N 3.16Å
360	D	98.4	Very high	98	Very high	13 Å²	13	17 Å²	17	7%	0.07	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	121	164.6	-171.8	-42.5	0	0	0	109.3	N362 T363 G364 E365 L367 R619	D360-N362 PolarHBondContact O-N 3.11Å; D360-N362 WeakPolarHBondContact OD1-CB 3.25Å; D360-N362 PolarHBondContact OD1-N 3.31Å; D360-N362 PolarHBondContact OD1-ND2 2.79Å; D360-T363 WeakPolarHBondContact CB-OG1 3.46Å; D360-G364 WeakPolarHBondContact O-CA 3.48Å; D360-G364 PolarHBondContact O-N 3.18Å; D360-E365 HydrophobicContact CB-CB 4.42Å; D360-E365 PolarHBondContact N-O 3.44Å; D360-L367 HydrophobicContact CB-CD1 4.15Å; D360-L367 HydrophobicContact CB-CD2 4.36Å; D360-L367 HydrophobicContact CB-CG 4.28Å; D360-R619 IonicContact OD2-NH2 3.43Å
361	V	98.1	Very high	98	Very high	4 Å²	4	10 Å²	10	2%	0.024	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-31.5	-175.8	169.2	0	0	0	0	112.8	V359 S531 R536 P618 R619 A621	V359-V361 PolarHBondContact O-N 2.9Å; V361-S531 VanDerWaalsContact CG1-CA 3.48Å; V361-R536 PolarHBondContact O-NH1 2.89Å; V361-P618 HydrophobicContact CG2-CB 4.47Å; V361-R619 PolarHBondContact N-O 2.84Å; V361-A621 HydrophobicContact CG2-CB 4.13Å
362	N	96.5	Very high	98	Very high	54 Å²	54	9.4 Å²	9.4	29%	0.289	5%	0.05	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-22.6	-170.6	-58.8	-72.2	0	0	0	113.1	D360 R536 R619	D360-N362 PolarHBondContact O-N 3.11Å; D360-N362 WeakPolarHBondContact OD1-CB 3.25Å; D360-N362 PolarHBondContact OD1-N 3.31Å; D360-N362 PolarHBondContact OD1-ND2 2.79Å; N362-R536 WeakPolarHBondContact O-CD 3.33Å; N362-R536 VanDerWaalsContact O-CZ 3.3Å; N362-R536 PolarHBondContact O-NE 3.48Å; N362-R619 PolarHBondContact ND2-NE 3.48Å; N362-R619 PolarHBondContact ND2-NH1 2.95Å; N362-R619 PolarHBondContact ND2-NH2 3.44Å
363	T	97.1	Very high	98	Very high	15 Å²	15	8 Å²	8	9%	0.092	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-22	-177.3	59.1	0	0	0	0	113	D360 E365 P545 V547	D360-T363 WeakPolarHBondContact CB-OG1 3.46Å; T363-E365 PolarHBondContact O-N 3.21Å; T363-E365 WeakPolarHBondContact OG1-CB 3.39Å; T363-E365 WeakPolarHBondContact OG1-CG 3.36Å; T363-E365 PolarHBondContact OG1-N 2.76Å; T363-P545 HydrophobicContact CG2-CB 4.39Å; T363-V547 HydrophobicContact CG2-CG2 4.5Å
364	G	97.4	Very high	98	Very high	2 Å²	2	8.8 Å²	8.8	2%	0.021	5%	0.054	C	C	.	.			trans	77.1	5.6	-170.2	0	0	0	0	0	113.2	D360 V366 L538 S539	D360-G364 WeakPolarHBondContact O-CA 3.48Å; D360-G364 PolarHBondContact O-N 3.18Å; G364-V366 PolarHBondContact O-N 2.89Å; G364-L538 CarbonylContact O-C 3.53Å; G364-L538 VanDerWaalsContact O-CA 3.26Å; G364-L538 WeakPolarHBondContact O-CA 3.43Å; G364-S539 PolarHBondContact O-N 2.82Å
365	E	98	Very high	97.9	Very high	4 Å²	4	9.1 Å²	9.1	2%	0.019	6%	0.055	C	C	.	.	B	Isolated β-bridge	trans	-64.5	129.2	176.8	-78	-172.9	140.7	0	0	111.5	R171 V359 D360 T363 L367 K542 V543	R171-E365 IonicContact CZ-OE2 3.98Å; R171-E365 IonicContact NH1-OE1 3.17Å; R171-E365 IonicContact NH1-OE2 3.27Å; R171-E365 PolarHBondContact NH1-OE2 3.36Å; R171-E365 IonicContact NH2-OE2 2.96Å; R171-E365 PolarHBondContact NH2-OE2 2.55Å; V359-E365 CarbonylContact C-O 3.44Å; V359-E365 VanDerWaalsContact CA-O 3.31Å; V359-E365 WeakPolarHBondContact CA-O 3.2Å; D360-E365 HydrophobicContact CB-CB 4.42Å; D360-E365 PolarHBondContact N-O 3.44Å; T363-E365 PolarHBondContact O-N 3.21Å; T363-E365 WeakPolarHBondContact OG1-CB 3.39Å; T363-E365 WeakPolarHBondContact OG1-CG 3.36Å; T363-E365 PolarHBondContact OG1-N 2.76Å; E365-L367 HydrophobicContact CB-CD2 4.27Å; E365-L367 PolarHBondContact O-N 2.6Å; E365-K542 WeakPolarHBondContact OE1-CA 3.44Å; E365-V543 HydrophobicContact CG-CG2 3.64Å; E365-V543 PolarHBondContact OE1-N 3.21Å
366	V	98.6	Very high	97.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	107.7	167.8	-179.2	0	0	0	0	108.8	S329 I330 V357 L358 V359 G364 M369 L485 L520 S539 I540	S329-V366 CarbonylContact C-O 3.55Å; S329-V366 PolarHBondContact OG-O 2.7Å; I330-V366 HydrophobicContact CD1-CG1 4.25Å; I330-V366 WeakPolarHBondContact CD1-O 3.32Å; V357-V366 HydrophobicContact CG1-CG1 4.29Å; L358-V366 CarbonylContact O-C 3.54Å; V359-V366 HydrophobicContact CG2-CG2 4.5Å; G364-V366 PolarHBondContact O-N 2.89Å; V366-M369 HydrophobicContact CG1-CB 3.99Å; V366-M369 HydrophobicContact CG1-CE 4.21Å; V366-L485 HydrophobicContact CG2-CD1 3.77Å; V366-L485 HydrophobicContact CG2-CD2 4.41Å; V366-L520 HydrophobicContact CG2-CD1 4.31Å; V366-S539 PolarHBondContact N-O 2.99Å; V366-I540 HydrophobicContact CB-CD1 4.28Å; V366-I540 HydrophobicContact CG1-CD1 4.46Å
367	L	98.7	Very high	97.7	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-29.2	-178.5	-58.6	-177.1	0	0	0	112.8	I330 D331 L334 L358 D360 E365 F620	I330-L367 WeakPolarHBondContact CA-O 3.35Å; D331-L367 PolarHBondContact N-O 3.08Å; L334-L367 HydrophobicContact CD1-CB 4.22Å; L334-L367 HydrophobicContact CD1-CD1 4.16Å; L358-L367 HydrophobicContact CD2-CB 3.94Å; L358-L367 HydrophobicContact CD2-CD1 4.36Å; L358-L367 HydrophobicContact CG-CB 4.13Å; L358-L367 HydrophobicContact CG-CD1 4.46Å; L358-L367 PolarHBondContact O-N 3.37Å; D360-L367 HydrophobicContact CB-CD1 4.15Å; D360-L367 HydrophobicContact CB-CD2 4.36Å; D360-L367 HydrophobicContact CB-CG 4.28Å; E365-L367 HydrophobicContact CB-CD2 4.27Å; E365-L367 PolarHBondContact O-N 2.6Å; L367-F620 HydrophobicContact CD1-CD1 3.66Å; L367-F620 HydrophobicContact CD1-CE1 3.54Å
368	A	98.8	Very high	97.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	143.5	174.5	0	0	0	0	0	110.9	Q335 V338 L358	Q335-A368 HydrophobicContact CB-CB 4.36Å; V338-A368 HydrophobicContact CB-CB 4.12Å; V338-A368 HydrophobicContact CG1-CB 4.43Å; V338-A368 HydrophobicContact CG2-CB 3.76Å; L358-A368 HydrophobicContact CB-CB 4.05Å; L358-A368 HydrophobicContact CD2-CB 4.35Å; L358-A368 PolarHBondContact N-O 2.97Å; L358-A368 PolarHBondContact O-N 2.95Å
369	M	98.5	Very high	97.3	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.015	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	107.8	177.3	179.1	-176.8	-73.5	0	0	108.8	L272 Q335 A356 V366 T392 I393 L485 L487 L520	L272-M369 HydrophobicContact CD1-CB 4.36Å; L272-M369 HydrophobicContact CD1-SD 4.02Å; Q335-M369 PolarHBondContact NE2-O 3.21Å; Q335-M369 PolarHBondContact OE1-O 3.18Å; A356-M369 WeakPolarHBondContact O-CA 3.3Å; V366-M369 HydrophobicContact CG1-CB 3.99Å; V366-M369 HydrophobicContact CG1-CE 4.21Å; M369-T392 HydrophobicContact CG-CG2 3.75Å; M369-T392 WeakPolarHBondContact CG-OG1 3.31Å; M369-T392 PolarHBondContact SD-OG1 2.91Å; M369-I393 HydrophobicContact CE-CG2 4Å; M369-I393 HydrophobicContact SD-CG2 4.21Å; M369-L485 HydrophobicContact CE-CD2 3.55Å; M369-L487 HydrophobicContact SD-CD1 4.33Å; M369-L520 HydrophobicContact CE-CD1 3.79Å; M369-L520 HydrophobicContact CE-CD2 4.35Å
370	A	98.4	Very high	97	Very high	2 Å²	2	20.6 Å²	20.6	2%	0.017	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.6	-174.6	0	0	0	0	0	112.3	V338 Y339 L342 S355 A356	V338-A370 HydrophobicContact CG1-CB 3.87Å; Y339-A370 HydrophobicContact CD2-CB 4.45Å; L342-A370 HydrophobicContact CD2-CB 4.09Å; L342-A370 WeakPolarHBondContact CD2-O 3.16Å; S355-A370 WeakPolarHBondContact CA-O 3.39Å; A356-A370 PolarHBondContact N-O 3.28Å; A356-A370 PolarHBondContact O-N 3.16Å
371	N	98.2	Very high	96.6	Very high	1 Å²	1	25 Å²	25	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	152.3	168.6	-56.8	-82.7	0	0	0	110.2	G354 S355 N390 R391 T392	G354-N371 CarbonylContact O-C 3.54Å; G354-N371 VanDerWaalsContact O-CA 3.28Å; G354-N371 WeakPolarHBondContact O-CA 3.27Å; S355-N371 PolarHBondContact OG-OD1 3.34Å; N371-N390 PolarHBondContact ND2-OD1 2.74Å; N371-R391 WeakPolarHBondContact OD1-CB 3.12Å; N371-R391 PolarHBondContact OD1-N 2.7Å; N371-T392 PolarHBondContact OD1-N 3.49Å
372	S	97	Very high	96.2	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.014	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	137.2	166.4	170.8	0	0	0	0	108.7	N343 S353 G354	N343-S372 PolarHBondContact OD1-OG 3.21Å; S353-S372 CarbonylContact C-O 3.46Å; S353-S372 WeakPolarHBondContact CA-O 3.38Å; S353-S372 WeakPolarHBondContact CB-O 3.45Å; G354-S372 PolarHBondContact N-O 3.38Å; G354-S372 PolarHBondContact O-N 2.8Å
373	P	96.2	Very high	96	Very high	56 Å²	56	27.5 Å²	27.5	36%	0.364	18%	0.181	S	C	.	.	S	Bend	cis	-65.5	160.1	-4.2	29.7	-35.8	0	0	0	112.7	H271	H271-P373 PolarHBondContact CE1-O 3.36Å
374	S	95.7	Very high	95.7	Very high	19 Å²	19	30.5 Å²	30.5	13%	0.133	20%	0.2	C	C	.	.			trans	-118.9	-174.4	174.6	-164.4	0	0	0	0	111.2	E267 H271	E267-S374 PolarHBondContact O-OG 2.94Å; H271-S374 PolarHBondContact CE1-OG 2.93Å; H271-S374 VanDerWaalsContact CE1-OG 3.25Å
375	Y	96.4	Very high	95.3	Very high	8 Å²	8	39.3 Å²	39.3	3%	0.031	24%	0.238	C	C	.	.			trans	-143.1	158.3	-179.3	67.3	-78.9	0	0	0	110.1	E267 A270 H271 F275 P377 L380 T383 A387 M388	E267-Y375 WeakPolarHBondContact CA-O 3.31Å; A270-Y375 HydrophobicContact CB-CD1 3.97Å; A270-Y375 HydrophobicContact CB-CD2 4.4Å; A270-Y375 HydrophobicContact CB-CE1 3.7Å; A270-Y375 HydrophobicContact CB-CE2 4.18Å; A270-Y375 HydrophobicContact CB-CG 4.31Å; A270-Y375 WeakPolarHBondContact CB-O 3.45Å; A270-Y375 PolarHBondContact O-OH 3.42Å; A270-Y375 VanDerWaalsContact O-OH 3.12Å; H271-Y375 AromaticContact CD2-CE1 3.62Å; H271-Y375 AromaticContact NE2-CD1 3.75Å; H271-Y375 AromaticContact NE2-CE1 3.8Å; F275-Y375 AromaticContact CD1-CE2 3.91Å; F275-Y375 HydrophobicContact CD1-CE2 3.91Å; F275-Y375 WeakPolarHBondContact CD1-OH 3.49Å; F275-Y375 HydrophobicContact CE1-CE2 4.01Å; Y375-P377 HydrophobicContact CE2-CB 4.2Å; Y375-P377 VanDerWaalsContact O-CD 3.28Å; Y375-P377 WeakPolarHBondContact O-CD 3.4Å; Y375-L380 HydrophobicContact CD2-CD2 3.83Å; Y375-L380 HydrophobicContact CE2-CD2 3.86Å; Y375-T383 VanDerWaalsContact CB-CG2 3.5Å; Y375-T383 HydrophobicContact CD2-CG2 4.2Å; Y375-T383 HydrophobicContact CG-CG2 4Å; Y375-A387 WeakPolarHBondContact CD1-O 3.45Å; Y375-M388 HydrophobicContact CD1-CG 4.41Å; Y375-M388 HydrophobicContact CD2-CG 4.38Å; Y375-M388 HydrophobicContact CE1-CB 4.23Å; Y375-M388 HydrophobicContact CE1-CG 4.37Å; Y375-M388 HydrophobicContact CE2-CG 4.32Å; Y375-M388 HydrophobicContact CG-CG 4.42Å
376	N	96.6	Very high	94.9	Very high	56 Å²	56	46.2 Å²	46.2	30%	0.299	27%	0.27	S	S	.	.			trans	-89.3	109.4	177.4	-173	-12.2	0	0	0	110.7	E267 N378 N379	E267-N376 HydrophobicContact CG-CB 4.12Å; N376-N378 PolarHBondContact O-N 2.91Å; N376-N378 VanDerWaalsContact O-N 3.14Å; N376-N378 WeakPolarHBondContact OD1-CB 3.41Å; N376-N378 PolarHBondContact OD1-N 3.26Å; N376-N378 PolarHBondContact OD1-ND2 2.86Å; N376-N379 CarbonylContact O-C 3.51Å; N376-N379 PolarHBondContact O-N 3.45Å
377	P	96.7	Very high	94.5	Very high	8 Å²	8	46.8 Å²	46.8	5%	0.052	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.8	-178.5	30.6	-36.9	0	0	0	112.8	Y263 G266 A270 F275 Y375	Y263-P377 HydrophobicContact CD2-CB 3.63Å; Y263-P377 HydrophobicContact CD2-CG 3.77Å; Y263-P377 HydrophobicContact CE2-CB 4.04Å; Y263-P377 HydrophobicContact CG-CB 4.08Å; Y263-P377 HydrophobicContact CG-CG 3.85Å; G266-P377 WeakPolarHBondContact O-CD 3.26Å; A270-P377 HydrophobicContact CB-CG 4.16Å; F275-P377 HydrophobicContact CB-CB 4.35Å; Y375-P377 HydrophobicContact CE2-CB 4.2Å; Y375-P377 VanDerWaalsContact O-CD 3.28Å; Y375-P377 WeakPolarHBondContact O-CD 3.4Å
378	N	95.8	Very high	94.1	Very high	28 Å²	28	48.2 Å²	48.2	15%	0.15	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-15	174.2	-58.2	-64.6	0	0	0	113.2	R260 Y262 Y263 N376	R260-N378 PolarHBondContact NH2-O 2.88Å; Y262-N378 VanDerWaalsContact CD2-OD1 3.27Å; Y262-N378 WeakPolarHBondContact CD2-OD1 3.44Å; Y263-N378 WeakPolarHBondContact CD2-OD1 3.39Å; Y263-N378 PolarHBondContact N-OD1 2.98Å; Y263-N378 PolarHBondContact O-ND2 2.95Å; N376-N378 PolarHBondContact O-N 2.91Å; N376-N378 VanDerWaalsContact O-N 3.14Å; N376-N378 WeakPolarHBondContact OD1-CB 3.41Å; N376-N378 PolarHBondContact OD1-N 3.26Å; N376-N378 PolarHBondContact OD1-ND2 2.86Å
379	N	93.6	Very high	93.8	Very high	97 Å²	97	53.2 Å²	53.2	52%	0.519	30%	0.301	S	S	.	.			trans	-144.8	95.7	176.8	-179.5	13.7	0	0	0	111.1	N376 S381	N376-N379 CarbonylContact O-C 3.51Å; N376-N379 PolarHBondContact O-N 3.45Å; N379-S381 VanDerWaalsContact C-N 3.35Å; N379-S381 WeakPolarHBondContact OD1-CB 3.5Å; N379-S381 PolarHBondContact OD1-N 3.34Å
380	L	91.6	Very high	93.7	Very high	60 Å²	60	53.7 Å²	53.7	31%	0.314	30%	0.303	S	S	.	.			trans	-87.2	-2.1	-178.2	-56.1	174.7	0	0	0	113.6	F275 Y375 G382 T383 M388	F275-L380 HydrophobicContact CD1-CD2 4.34Å; F275-L380 HydrophobicContact CD2-CD1 3.44Å; F275-L380 VanDerWaalsContact CD2-CD1 3.44Å; F275-L380 HydrophobicContact CE1-CD2 4.36Å; F275-L380 HydrophobicContact CE2-CD1 3.35Å; F275-L380 HydrophobicContact CG-CD1 4.06Å; F275-L380 HydrophobicContact CG-CD2 4.48Å; F275-L380 HydrophobicContact CZ-CD1 3.96Å; F275-L380 HydrophobicContact CZ-CD2 4.49Å; Y375-L380 HydrophobicContact CD2-CD2 3.83Å; Y375-L380 HydrophobicContact CE2-CD2 3.86Å; L380-G382 PolarHBondContact O-N 2.88Å; L380-T383 WeakPolarHBondContact O-CB 3.4Å; L380-T383 PolarHBondContact O-N 3.37Å; L380-T383 PolarHBondContact O-OG1 2.7Å; L380-M388 HydrophobicContact CB-CE 4.36Å; L380-M388 HydrophobicContact CD2-CE 4.01Å
381	S	90.2	Very high	93.6	Very high	105 Å²	105	54.4 Å²	54.4	73%	0.734	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	126.9	-178.5	-168.2	0	0	0	0	110.5	N379 T383	N379-S381 VanDerWaalsContact C-N 3.35Å; N379-S381 WeakPolarHBondContact OD1-CB 3.5Å; N379-S381 PolarHBondContact OD1-N 3.34Å; S381-T383 PolarHBondContact O-N 3.2Å
382	G	90.2	Very high	93.5	Very high	79 Å²	79	54.4 Å²	54.4	81%	0.814	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	4.6	-178.1	0	0	0	0	0	115.6	L380 P384	L380-G382 PolarHBondContact O-N 2.88Å; G382-P384 WeakPolarHBondContact O-CD 3.36Å
383	T	92.3	Very high	93.5	Very high	32 Å²	32	54.5 Å²	54.5	20%	0.196	31%	0.306	C	S	.	.			trans	-74.8	120.8	178.7	-62.2	0	0	0	0	110.5	Y375 L380 S381 A387 M388	Y375-T383 VanDerWaalsContact CB-CG2 3.5Å; Y375-T383 HydrophobicContact CD2-CG2 4.2Å; Y375-T383 HydrophobicContact CG-CG2 4Å; L380-T383 WeakPolarHBondContact O-CB 3.4Å; L380-T383 PolarHBondContact O-N 3.37Å; L380-T383 PolarHBondContact O-OG1 2.7Å; S381-T383 PolarHBondContact O-N 3.2Å; T383-A387 HydrophobicContact CG2-CB 4.33Å; T383-M388 HydrophobicContact CG2-CE 3.48Å; T383-M388 VanDerWaalsContact CG2-CE 3.48Å; T383-M388 HydrophobicContact CG2-CG 3.88Å
384	P	91.3	Very high	93.4	Very high	78 Å²	78	53 Å²	53	51%	0.506	30%	0.296	S	S	.	.			trans	-71.3	143.6	177.5	28.5	-32.9	0	0	0	111	G382 E386 A387	G382-P384 WeakPolarHBondContact O-CD 3.36Å; P384-E386 PolarHBondContact O-N 3.22Å; P384-E386 VanDerWaalsContact O-N 3.13Å; P384-A387 HydrophobicContact CG-CB 3.86Å; P384-A387 WeakPolarHBondContact O-CB 3.4Å; P384-A387 PolarHBondContact O-N 3.16Å
385	K	89.1	Confident	93.3	Very high	187 Å²	187	53.9 Å²	53.9	81%	0.813	30%	0.299	S	S	*	.	H	α-helix	trans	-55.7	-33.5	179.6	-69	-175.2	177.7	-179.1	0	113	A387 M388	K385-A387 VanDerWaalsContact C-N 3.29Å; K385-A387 PolarHBondContact O-N 3Å; K385-M388 WeakPolarHBondContact O-CB 3.42Å; K385-M388 PolarHBondContact O-N 3.08Å; K385-M388 VanDerWaalsContact O-N 3.09Å
386	E	88.9	Confident	93.2	Very high	149 Å²	149	55.3 Å²	55.3	70%	0.696	31%	0.308	S	S	*	.	H	α-helix	trans	-64.3	-31.3	177.1	-64.6	177.4	176.6	0	0	113.1	P384 M388 R391	P384-E386 PolarHBondContact O-N 3.22Å; P384-E386 VanDerWaalsContact O-N 3.13Å; E386-M388 VanDerWaalsContact C-N 3.29Å; E386-R391 PolarHBondContact O-NH1 2.86Å; E386-R391 VanDerWaalsContact O-NH1 3.1Å; E386-R391 PolarHBondContact O-NH2 2.9Å
387	A	89.5	Confident	93.1	Very high	11 Å²	11	53.3 Å²	53.3	9%	0.091	30%	0.297	C	S	.	.	H	α-helix	trans	-72.1	-26.2	174.6	0	0	0	0	0	111.5	H271 Y375 T383 P384 K385 R389	H271-A387 PolarHBondContact CD2-O 2.88Å; H271-A387 PolarHBondContact NE2-O 3.04Å; Y375-A387 WeakPolarHBondContact CD1-O 3.45Å; T383-A387 HydrophobicContact CG2-CB 4.33Å; P384-A387 HydrophobicContact CG-CB 3.86Å; P384-A387 WeakPolarHBondContact O-CB 3.4Å; P384-A387 PolarHBondContact O-N 3.16Å; K385-A387 VanDerWaalsContact C-N 3.29Å; K385-A387 PolarHBondContact O-N 3Å; A387-R389 VanDerWaalsContact C-N 3.33Å; A387-R389 PolarHBondContact O-N 2.96Å
388	M	91.8	Very high	93	Very high	31 Å²	31	53.6 Å²	53.6	15%	0.153	30%	0.298	C	S	.	.	H	α-helix	trans	-76.3	-18.2	-179.5	-60.5	-179.8	175.6	0	0	113.9	H271 F275 Y375 L380 T383 K385 E386	H271-M388 PolarHBondContact CD2-O 2.88Å; F275-M388 HydrophobicContact CE1-SD 4.11Å; F275-M388 HydrophobicContact CZ-CE 4.42Å; F275-M388 HydrophobicContact CZ-SD 3.92Å; Y375-M388 HydrophobicContact CD1-CG 4.41Å; Y375-M388 HydrophobicContact CD2-CG 4.38Å; Y375-M388 HydrophobicContact CE1-CB 4.23Å; Y375-M388 HydrophobicContact CE1-CG 4.37Å; Y375-M388 HydrophobicContact CE2-CG 4.32Å; Y375-M388 HydrophobicContact CG-CG 4.42Å; L380-M388 HydrophobicContact CB-CE 4.36Å; L380-M388 HydrophobicContact CD2-CE 4.01Å; T383-M388 HydrophobicContact CG2-CE 3.48Å; T383-M388 VanDerWaalsContact CG2-CE 3.48Å; T383-M388 HydrophobicContact CG2-CG 3.88Å; K385-M388 WeakPolarHBondContact O-CB 3.42Å; K385-M388 PolarHBondContact O-N 3.08Å; K385-M388 VanDerWaalsContact O-N 3.09Å; E386-M388 VanDerWaalsContact C-N 3.29Å
389	R	91.6	Very high	93	Very high	105 Å²	105	52.2 Å²	52.2	40%	0.396	29%	0.29	S	S	.	.	S	Bend	trans	-70.3	129.1	-175.9	-177.9	175.5	64.6	166.9	10.9	113	H271 A387 R391 T394 D395	H271-R389 PolarHBondContact CD2-O 2.99Å; H271-R389 VanDerWaalsContact CD2-O 3.31Å; A387-R389 VanDerWaalsContact C-N 3.33Å; A387-R389 PolarHBondContact O-N 2.96Å; R389-R391 PolarHBondContact O-N 3.19Å; R389-R391 VanDerWaalsContact O-N 3.13Å; R389-R391 PolarHBondContact O-NH1 3.25Å; R389-T394 WeakPolarHBondContact CD-OG1 3.29Å; R389-T394 HydrophobicContact CG-CG2 4.01Å; R389-T394 WeakPolarHBondContact CG-OG1 3.46Å; R389-D395 IonicContact CZ-OD1 3.82Å; R389-D395 IonicContact CZ-OD2 3.05Å; R389-D395 IonicContact NE-OD1 2.79Å; R389-D395 PolarHBondContact NE-OD1 3.34Å; R389-D395 IonicContact NE-OD2 2.7Å; R389-D395 IonicContact NH1-OD1 3.7Å; R389-D395 PolarHBondContact NH1-OD1 3.13Å; R389-D395 IonicContact NH2-OD1 3.76Å; R389-D395 PolarHBondContact NH2-OD1 3.31Å; R389-D395 IonicContact NH2-OD2 2.69Å; R389-D395 PolarHBondContact NH2-OD2 3.24Å
390	N	96.5	Very high	93.1	Very high	13 Å²	13	47.7 Å²	47.7	7%	0.07	27%	0.266	C	S	.	.			trans	-80.9	86	173.8	-167.2	-1.1	0	0	0	112.6	H271 N371 T392 I393 T394	H271-N390 HydrophobicContact CB-CB 3.87Å; H271-N390 PolarHBondContact O-ND2 3.48Å; N371-N390 PolarHBondContact ND2-OD1 2.74Å; N390-T392 PolarHBondContact O-N 3.01Å; N390-T392 VanDerWaalsContact O-N 3.12Å; N390-T392 PolarHBondContact OD1-OG1 3.01Å; N390-I393 HydrophobicContact CB-CD1 4.35Å; N390-I393 HydrophobicContact CB-CG1 4Å; N390-I393 WeakPolarHBondContact O-CG1 3.44Å; N390-I393 PolarHBondContact O-N 2.74Å; N390-I393 VanDerWaalsContact O-N 3.1Å; N390-T394 WeakPolarHBondContact O-CG2 3.34Å; N390-T394 PolarHBondContact O-N 2.84Å; N390-T394 VanDerWaalsContact O-N 3.07Å; N390-T394 PolarHBondContact O-OG1 2.71Å; N390-T394 VanDerWaalsContact O-OG1 3.08Å
391	R	96.2	Very high	93.4	Very high	18 Å²	18	45.6 Å²	45.6	7%	0.068	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-23	-171.8	-59.4	169.5	175.2	60.5	2.1	114.1	S355 N371 E386 R389 I393 T394 D395	S355-R391 WeakPolarHBondContact OG-CB 3.46Å; N371-R391 WeakPolarHBondContact OD1-CB 3.12Å; N371-R391 PolarHBondContact OD1-N 2.7Å; E386-R391 PolarHBondContact O-NH1 2.86Å; E386-R391 VanDerWaalsContact O-NH1 3.1Å; E386-R391 PolarHBondContact O-NH2 2.9Å; R389-R391 PolarHBondContact O-N 3.19Å; R389-R391 VanDerWaalsContact O-N 3.13Å; R389-R391 PolarHBondContact O-NH1 3.25Å; R391-I393 PolarHBondContact O-N 2.8Å; R391-T394 WeakPolarHBondContact CA-OG1 3.37Å; R391-D395 HydrophobicContact CB-CB 4.14Å; R391-D395 WeakPolarHBondContact CG-OD2 3.48Å; R391-D395 WeakPolarHBondContact O-CB 3.35Å; R391-D395 PolarHBondContact O-N 3.3Å; R391-D395 VanDerWaalsContact O-N 3.15Å
392	T	97.1	Very high	93.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62	-27.3	176.4	58.8	0	0	0	0	112.8	V357 M369 N371 N390 P519 L520	V357-T392 HydrophobicContact CG2-CG2 3.71Å; M369-T392 HydrophobicContact CG-CG2 3.75Å; M369-T392 WeakPolarHBondContact CG-OG1 3.31Å; M369-T392 PolarHBondContact SD-OG1 2.91Å; N371-T392 PolarHBondContact OD1-N 3.49Å; N390-T392 PolarHBondContact O-N 3.01Å; N390-T392 VanDerWaalsContact O-N 3.12Å; N390-T392 PolarHBondContact OD1-OG1 3.01Å; T392-P519 WeakPolarHBondContact O-CD 3.41Å; T392-L520 VanDerWaalsContact O-CB 3.29Å; T392-L520 WeakPolarHBondContact O-CB 3.37Å; T392-L520 PolarHBondContact O-N 2.82Å
393	I	96.2	Very high	94.1	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-115.4	-20.9	-178.7	67	167.3	0	0	0	113.6	M369 N390 R391 L487 E490 R491 T518 L520	M369-I393 HydrophobicContact CE-CG2 4Å; M369-I393 HydrophobicContact SD-CG2 4.21Å; N390-I393 HydrophobicContact CB-CD1 4.35Å; N390-I393 HydrophobicContact CB-CG1 4Å; N390-I393 WeakPolarHBondContact O-CG1 3.44Å; N390-I393 PolarHBondContact O-N 2.74Å; N390-I393 VanDerWaalsContact O-N 3.1Å; R391-I393 PolarHBondContact O-N 2.8Å; I393-L487 HydrophobicContact CD1-CB 3.76Å; I393-L487 HydrophobicContact CD1-CD1 4.25Å; I393-E490 HydrophobicContact CB-CB 4.48Å; I393-E490 HydrophobicContact CB-CG 4.44Å; I393-R491 PolarHBondContact O-N 3.34Å; I393-T518 WeakPolarHBondContact O-CG2 3.39Å; I393-L520 HydrophobicContact CG2-CB 4.23Å; I393-L520 HydrophobicContact CG2-CD2 3.56Å; I393-L520 HydrophobicContact CG2-CG 4.47Å
394	T	94.9	Very high	94.4	Very high	26 Å²	26	35.3 Å²	35.3	16%	0.16	17%	0.174	C	C	.	.	H	α-helix	trans	-99.2	-34.7	-176.7	62.1	0	0	0	0	114.3	R389 N390 R391 R491	R389-T394 WeakPolarHBondContact CD-OG1 3.29Å; R389-T394 HydrophobicContact CG-CG2 4.01Å; R389-T394 WeakPolarHBondContact CG-OG1 3.46Å; N390-T394 WeakPolarHBondContact O-CG2 3.34Å; N390-T394 PolarHBondContact O-N 2.84Å; N390-T394 VanDerWaalsContact O-N 3.07Å; N390-T394 PolarHBondContact O-OG1 2.71Å; N390-T394 VanDerWaalsContact O-OG1 3.08Å; R391-T394 WeakPolarHBondContact CA-OG1 3.37Å; T394-R491 WeakPolarHBondContact O-CD 3.41Å
395	D	93.8	Very high	94.8	Very high	37 Å²	37	31.6 Å²	31.6	20%	0.198	15%	0.15	C	C	.	.			trans	-88.2	131.5	-171.3	-71.9	16.9	0	0	0	109.3	R389 R391 T518 P519	R389-D395 IonicContact CZ-OD1 3.82Å; R389-D395 IonicContact CZ-OD2 3.05Å; R389-D395 IonicContact NE-OD1 2.79Å; R389-D395 PolarHBondContact NE-OD1 3.34Å; R389-D395 IonicContact NE-OD2 2.7Å; R389-D395 IonicContact NH1-OD1 3.7Å; R389-D395 PolarHBondContact NH1-OD1 3.13Å; R389-D395 IonicContact NH2-OD1 3.76Å; R389-D395 PolarHBondContact NH2-OD1 3.31Å; R389-D395 IonicContact NH2-OD2 2.69Å; R389-D395 PolarHBondContact NH2-OD2 3.24Å; R391-D395 HydrophobicContact CB-CB 4.14Å; R391-D395 WeakPolarHBondContact CG-OD2 3.48Å; R391-D395 WeakPolarHBondContact O-CB 3.35Å; R391-D395 PolarHBondContact O-N 3.3Å; R391-D395 VanDerWaalsContact O-N 3.15Å; D395-T518 WeakPolarHBondContact O-CA 3.49Å; D395-P519 WeakPolarHBondContact O-CD 3.34Å
396	V	94	Very high	95.2	Very high	37 Å²	37	22.8 Å²	22.8	22%	0.224	11%	0.111	C	C	.	.			trans	-113.2	138.6	-179.2	-62	0	0	0	0	109.4	R491 M516 V517 T518	V396-R491 HydrophobicContact CG1-CB 4.1Å; V396-M516 HydrophobicContact CB-CB 3.94Å; V396-M516 HydrophobicContact CG2-CB 4.19Å; V396-M516 HydrophobicContact CG2-SD 4.05Å; V396-V517 WeakPolarHBondContact CA-O 3.21Å; V396-T518 HydrophobicContact CG1-CG2 3.82Å
397	F	94.1	Very high	95.7	Very high	14 Å²	14	15.7 Å²	15.7	6%	0.061	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-146.8	160.4	-179	67	-80.5	0	0	0	111	P399 M516 V517 P519 L522 I606 Y608 V625	F397-P399 WeakPolarHBondContact O-CD 3.48Å; F397-M516 CarbonylContact O-C 3.48Å; F397-M516 VanDerWaalsContact O-CA 3.27Å; F397-M516 WeakPolarHBondContact O-CA 3.44Å; F397-V517 VanDerWaalsContact CD1-O 3.24Å; F397-V517 WeakPolarHBondContact CD1-O 3.46Å; F397-V517 HydrophobicContact CE1-CG2 4.36Å; F397-V517 HydrophobicContact CZ-CG2 4.23Å; F397-V517 PolarHBondContact N-O 2.63Å; F397-V517 PolarHBondContact O-N 2.77Å; F397-P519 HydrophobicContact CE1-CG 3.87Å; F397-L522 HydrophobicContact CZ-CD2 4.1Å; F397-I606 HydrophobicContact CB-CD1 3.62Å; F397-I606 HydrophobicContact CG-CD1 4.39Å; F397-Y608 AromaticContact CD2-CD1 3.9Å; F397-Y608 HydrophobicContact CD2-CD1 3.9Å; F397-Y608 AromaticContact CD2-CE1 3.59Å; F397-Y608 HydrophobicContact CD2-CE1 3.59Å; F397-Y608 AromaticContact CE2-CD1 3.51Å; F397-Y608 HydrophobicContact CE2-CD1 3.51Å; F397-Y608 AromaticContact CE2-CE1 3.51Å; F397-Y608 HydrophobicContact CE2-CE1 3.51Å; F397-Y608 HydrophobicContact CE2-CE2 4.49Å; F397-Y608 HydrophobicContact CE2-CG 4.03Å; F397-Y608 HydrophobicContact CZ-CD1 4.39Å; F397-V625 HydrophobicContact CE1-CG2 4.25Å; F397-V625 HydrophobicContact CZ-CG2 4.04Å
398	E	95	Very high	96.1	Very high	14 Å²	14	15.1 Å²	15.1	7%	0.065	7%	0.074	C	C	.	.			trans	-70.8	120.8	172.9	-66.5	-169.1	125.3	0	0	110.5	G400 Y513 G514 L515 M516 A592 Y601 Y608	E398-G400 PolarHBondContact O-N 3.09Å; E398-G400 VanDerWaalsContact O-N 3.13Å; E398-Y513 WeakPolarHBondContact OE1-CA 3.44Å; E398-Y513 WeakPolarHBondContact OE2-CD1 3.14Å; E398-Y513 WeakPolarHBondContact OE2-CE1 3.4Å; E398-G514 PolarHBondContact OE1-N 3.26Å; E398-L515 WeakPolarHBondContact CA-O 3.35Å; E398-M516 HydrophobicContact CG-CG 4.47Å; E398-A592 HydrophobicContact CB-CB 4.34Å; E398-Y601 PolarHBondContact OE1-OH 3.36Å; E398-Y601 WeakPolarHBondContact OE2-CE1 3.37Å; E398-Y601 PolarHBondContact OE2-OH 3.48Å; E398-Y608 PolarHBondContact O-OH 3.18Å
399	P	95.9	Very high	96.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.066	C	C	.	.			trans	-69.3	-12.4	-174	28.9	-36.7	0	0	0	113.6	F397 S401 T402 V403 G512 L515 V517 Y608	F397-P399 WeakPolarHBondContact O-CD 3.48Å; P399-S401 PolarHBondContact O-N 2.95Å; P399-T402 PolarHBondContact O-N 2.86Å; P399-T402 PolarHBondContact O-OG1 3.47Å; P399-V403 HydrophobicContact CB-CG1 3.71Å; P399-V403 HydrophobicContact CG-CG1 3.5Å; P399-G512 WeakPolarHBondContact CD-O 3.35Å; P399-L515 WeakPolarHBondContact CD-O 3.42Å; P399-L515 HydrophobicContact CG-CD1 4.25Å; P399-L515 HydrophobicContact CG-CD2 3.74Å; P399-L515 HydrophobicContact CG-CG 3.9Å; P399-V517 HydrophobicContact CB-CG2 3.79Å; P399-V517 HydrophobicContact CG-CG1 4.19Å; P399-V517 HydrophobicContact CG-CG2 4.22Å; P399-Y608 WeakPolarHBondContact O-CE2 3.45Å; P399-Y608 PolarHBondContact O-OH 3.36Å; P399-Y608 VanDerWaalsContact O-OH 3.09Å
400	G	95.4	Very high	96.8	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.01	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	50.4	-138.4	175.7	0	0	0	0	0	112.3	E398 T402 V403 F511 G512 Y608	E398-G400 PolarHBondContact O-N 3.09Å; E398-G400 VanDerWaalsContact O-N 3.13Å; G400-T402 PolarHBondContact O-N 3.02Å; G400-V403 WeakPolarHBondContact O-CG2 3.42Å; G400-V403 PolarHBondContact O-N 3.34Å; G400-F511 CarbonylContact C-O 3.51Å; G400-F511 WeakPolarHBondContact CA-O 3.26Å; G400-F511 CarbonylContact O-C 3.5Å; G400-F511 VanDerWaalsContact O-O 3.13Å; G400-G512 PolarHBondContact N-O 3.39Å; G400-G512 VanDerWaalsContact N-O 3.14Å; G400-G512 WeakPolarHBondContact O-CA 3.43Å; G400-Y608 VanDerWaalsContact CA-OH 3.26Å; G400-Y608 WeakPolarHBondContact CA-OH 3.37Å; G400-Y608 PolarHBondContact N-OH 3.32Å; G400-Y608 VanDerWaalsContact N-OH 3.13Å
401	S	97.3	Very high	96.9	Very high	16 Å²	16	8 Å²	8	11%	0.112	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-63.9	-8.1	-174.4	-70.6	0	0	0	0	115.7	P399 V403 K404 S453 K588 T589	P399-S401 PolarHBondContact O-N 2.95Å; S401-V403 PolarHBondContact O-N 3.13Å; S401-K404 WeakPolarHBondContact O-CB 3.44Å; S401-K404 WeakPolarHBondContact O-CG 3.4Å; S401-K404 PolarHBondContact O-N 2.92Å; S401-K404 WeakPolarHBondContact OG-CE 3.27Å; S401-K404 PolarHBondContact OG-NZ 2.88Å; S401-S453 VanDerWaalsContact CB-OG 3.24Å; S401-S453 WeakPolarHBondContact CB-OG 2.97Å; S401-S453 PolarHBondContact OG-OG 3.4Å; S401-K588 WeakPolarHBondContact O-CE 3.41Å; S401-K588 VanDerWaalsContact O-CG 3.22Å; S401-K588 WeakPolarHBondContact O-CG 3.49Å; S401-T589 WeakPolarHBondContact CB-O 3.1Å
402	T	97.9	Very high	97	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.006	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-70.1	-14.4	177.9	61.3	0	0	0	0	113.8	P399 G400 P405 L522 Y526 Y608 A610	P399-T402 PolarHBondContact O-N 2.86Å; P399-T402 PolarHBondContact O-OG1 3.47Å; G400-T402 PolarHBondContact O-N 3.02Å; T402-P405 WeakPolarHBondContact O-CD 3.48Å; T402-L522 HydrophobicContact CG2-CD2 4.31Å; T402-Y526 PolarHBondContact O-OH 2.98Å; T402-Y608 HydrophobicContact CG2-CD2 3.44Å; T402-Y608 VanDerWaalsContact CG2-CD2 3.44Å; T402-Y608 HydrophobicContact CG2-CE2 3.67Å; T402-A610 HydrophobicContact CG2-CB 4.26Å
403	V	98.1	Very high	97.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-85.1	-16.1	174.6	-52.6	0	0	0	0	113.8	P399 G400 S401 P405 M406 V407 Y474 L479	P399-V403 HydrophobicContact CB-CG1 3.71Å; P399-V403 HydrophobicContact CG-CG1 3.5Å; G400-V403 WeakPolarHBondContact O-CG2 3.42Å; G400-V403 PolarHBondContact O-N 3.34Å; S401-V403 PolarHBondContact O-N 3.13Å; V403-P405 VanDerWaalsContact C-N 3.32Å; V403-M406 HydrophobicContact CB-CE 3.83Å; V403-M406 HydrophobicContact CG1-CE 4.04Å; V403-M406 WeakPolarHBondContact O-CB 3.43Å; V403-M406 PolarHBondContact O-N 2.93Å; V403-V407 PolarHBondContact O-N 3.28Å; V403-Y474 HydrophobicContact CB-CE1 4.07Å; V403-Y474 HydrophobicContact CB-CE2 4.47Å; V403-Y474 HydrophobicContact CG2-CE1 4.48Å; V403-Y474 HydrophobicContact CG2-CE2 4.44Å; V403-Y474 WeakPolarHBondContact CG2-OH 3.29Å; V403-L479 HydrophobicContact CG1-CD1 4.47Å
404	K	98.5	Very high	97.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-54.5	-36	-175.2	-69	-176.4	172.8	168.2	0	114.8	S401 M406 V407 V408 L450 S453 S454 N455 V458 F511	S401-K404 WeakPolarHBondContact O-CB 3.44Å; S401-K404 WeakPolarHBondContact O-CG 3.4Å; S401-K404 PolarHBondContact O-N 2.92Å; S401-K404 WeakPolarHBondContact OG-CE 3.27Å; S401-K404 PolarHBondContact OG-NZ 2.88Å; K404-M406 VanDerWaalsContact C-N 3.26Å; K404-M406 PolarHBondContact O-N 3.31Å; K404-V407 WeakPolarHBondContact O-CB 3.34Å; K404-V407 PolarHBondContact O-N 3.36Å; K404-V408 PolarHBondContact O-N 3.36Å; K404-V408 VanDerWaalsContact O-N 3.09Å; K404-L450 HydrophobicContact CB-CD2 3.87Å; K404-S453 VanDerWaalsContact NZ-C 3.28Å; K404-S453 PolarHBondContact NZ-O 2.98Å; K404-S453 PolarHBondContact NZ-OG 3.05Å; K404-S454 PolarHBondContact NZ-O 2.84Å; K404-N455 WeakPolarHBondContact CE-OD1 3.2Å; K404-N455 PolarHBondContact NZ-OD1 3.35Å; K404-V458 HydrophobicContact CB-CG1 4.01Å; K404-V458 HydrophobicContact CD-CG1 3.92Å; K404-V458 HydrophobicContact CD-CG2 4.14Å; K404-V458 HydrophobicContact CG-CB 4.45Å; K404-V458 HydrophobicContact CG-CG1 3.82Å; K404-V458 HydrophobicContact CG-CG2 4.13Å; K404-F511 VanDerWaalsContact CE-CB 3.5Å
405	P	98.7	Very high	97.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-53.6	-43.1	172.3	-28.9	37.7	0	0	0	112.7	T402 V403 V407 V408 M409 L450 I529 V561 M565 K588	T402-P405 WeakPolarHBondContact O-CD 3.48Å; V403-P405 VanDerWaalsContact C-N 3.32Å; P405-V407 VanDerWaalsContact C-N 3.31Å; P405-V407 PolarHBondContact O-N 2.9Å; P405-V408 PolarHBondContact O-N 3.17Å; P405-M409 HydrophobicContact CB-CE 4.17Å; P405-M409 WeakPolarHBondContact O-CB 3.46Å; P405-M409 WeakPolarHBondContact O-CG 3.42Å; P405-M409 PolarHBondContact O-N 2.83Å; P405-L450 HydrophobicContact CG-CD2 4.36Å; P405-I529 HydrophobicContact CB-CD1 4.33Å; P405-V561 HydrophobicContact CB-CG1 3.87Å; P405-M565 HydrophobicContact CB-SD 3.71Å; P405-M565 HydrophobicContact CG-CE 4.22Å; P405-M565 HydrophobicContact CG-CG 4.21Å; P405-M565 HydrophobicContact CG-SD 3.67Å; P405-K588 HydrophobicContact CG-CB 4.29Å; P405-K588 HydrophobicContact CG-CD 4.49Å; P405-K588 HydrophobicContact CG-CG 4.3Å
406	M	98.6	Very high	97.4	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-66	-31.8	177.6	-67.4	-179.3	-73.2	0	0	112.5	V403 K404 T410 T473 Y474 F477 L479 V525	V403-M406 HydrophobicContact CB-CE 3.83Å; V403-M406 HydrophobicContact CG1-CE 4.04Å; V403-M406 WeakPolarHBondContact O-CB 3.43Å; V403-M406 PolarHBondContact O-N 2.93Å; K404-M406 VanDerWaalsContact C-N 3.26Å; K404-M406 PolarHBondContact O-N 3.31Å; M406-T410 WeakPolarHBondContact O-CB 3.45Å; M406-T410 PolarHBondContact O-N 3.1Å; M406-T410 PolarHBondContact O-OG1 3.01Å; M406-T473 HydrophobicContact CB-CG2 4.32Å; M406-Y474 HydrophobicContact CB-CD1 4.09Å; M406-Y474 HydrophobicContact CB-CE1 3.88Å; M406-Y474 HydrophobicContact CE-CD1 3.7Å; M406-Y474 HydrophobicContact CE-CE1 3.91Å; M406-Y474 HydrophobicContact CE-CG 4.48Å; M406-Y474 HydrophobicContact SD-CD1 3.89Å; M406-Y474 HydrophobicContact SD-CE1 4.43Å; M406-F477 HydrophobicContact CG-CD1 4.45Å; M406-F477 HydrophobicContact CG-CD2 4.3Å; M406-F477 HydrophobicContact CG-CE2 4.37Å; M406-F477 HydrophobicContact CG-CG 4.33Å; M406-F477 HydrophobicContact CG-CZ 4.49Å; M406-F477 HydrophobicContact SD-CB 3.67Å; M406-F477 HydrophobicContact SD-CD1 4.05Å; M406-F477 HydrophobicContact SD-CD2 3.9Å; M406-F477 HydrophobicContact SD-CG 3.6Å; M406-L479 HydrophobicContact CE-CD1 3.99Å; M406-V525 HydrophobicContact CE-CG1 3.87Å; M406-V525 HydrophobicContact SD-CG1 3.8Å
407	V	98.7	Very high	97.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-65.4	-46.6	174.2	-179.2	0	0	0	0	110.9	V403 K404 P405 T410 A411 V458 L461 M465 L470 Y474 S510	V403-V407 PolarHBondContact O-N 3.28Å; K404-V407 WeakPolarHBondContact O-CB 3.34Å; K404-V407 PolarHBondContact O-N 3.36Å; P405-V407 VanDerWaalsContact C-N 3.31Å; P405-V407 PolarHBondContact O-N 2.9Å; V407-T410 PolarHBondContact O-N 3.48Å; V407-A411 WeakPolarHBondContact O-CB 3.44Å; V407-A411 PolarHBondContact O-N 3.29Å; V407-V458 HydrophobicContact CB-CB 4.46Å; V407-V458 HydrophobicContact CG1-CB 4.03Å; V407-V458 HydrophobicContact CG1-CG1 4.45Å; V407-L461 HydrophobicContact CG1-CB 4.13Å; V407-M465 HydrophobicContact CG1-CE 4.31Å; V407-L470 HydrophobicContact CB-CD2 4.22Å; V407-L470 HydrophobicContact CG1-CD2 4.17Å; V407-L470 HydrophobicContact CG2-CD1 4.14Å; V407-L470 HydrophobicContact CG2-CD2 3.91Å; V407-Y474 HydrophobicContact CG2-CE1 4.45Å; V407-Y474 WeakPolarHBondContact CG2-OH 3.46Å; V407-S510 VanDerWaalsContact CG2-O 3.28Å; V407-S510 WeakPolarHBondContact CG2-O 3.25Å
408	V	98.8	Very high	97.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-44.1	177	177.7	0	0	0	0	110.7	K404 P405 T410 A411 L412 L446 L450 L461 V561 M564	K404-V408 PolarHBondContact O-N 3.36Å; K404-V408 VanDerWaalsContact O-N 3.09Å; P405-V408 PolarHBondContact O-N 3.17Å; V408-T410 VanDerWaalsContact C-N 3.34Å; V408-T410 PolarHBondContact O-N 2.87Å; V408-A411 PolarHBondContact O-N 3.17Å; V408-L412 HydrophobicContact CG1-CD1 4.04Å; V408-L412 WeakPolarHBondContact O-CG 3.26Å; V408-L412 PolarHBondContact O-N 3.12Å; V408-L446 HydrophobicContact CG1-CB 4.33Å; V408-L446 HydrophobicContact CG1-CD1 4.27Å; V408-L450 HydrophobicContact CG2-CD1 4.3Å; V408-L450 HydrophobicContact CG2-CD2 3.81Å; V408-L450 HydrophobicContact CG2-CG 4.02Å; V408-L461 HydrophobicContact CG2-CD1 4.25Å; V408-V561 HydrophobicContact CB-CG2 4.41Å; V408-V561 HydrophobicContact CG1-CG2 3.92Å; V408-M564 HydrophobicContact CG1-SD 4.1Å
409	M	98.7	Very high	97.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-55.1	-48.1	173.6	-71.2	172.4	-165.8	0	0	111.6	P405 A411 L412 Q413 F477 I529 F553 I557 V558 V561	P405-M409 HydrophobicContact CB-CE 4.17Å; P405-M409 WeakPolarHBondContact O-CB 3.46Å; P405-M409 WeakPolarHBondContact O-CG 3.42Å; P405-M409 PolarHBondContact O-N 2.83Å; M409-A411 PolarHBondContact O-N 3.48Å; M409-L412 PolarHBondContact O-N 3.22Å; M409-Q413 WeakPolarHBondContact O-CB 3.35Å; M409-Q413 PolarHBondContact O-N 3.07Å; M409-F477 HydrophobicContact SD-CZ 3.98Å; M409-I529 HydrophobicContact CE-CD1 4Å; M409-I529 HydrophobicContact CE-CG1 3.91Å; M409-I529 HydrophobicContact CE-CG2 4.01Å; M409-F553 VanDerWaalsContact C-CZ 3.49Å; M409-F553 HydrophobicContact CB-CD1 4.3Å; M409-F553 HydrophobicContact CB-CE1 3.62Å; M409-F553 HydrophobicContact CB-CZ 3.74Å; M409-F553 HydrophobicContact CG-CE1 4.38Å; M409-F553 VanDerWaalsContact O-CZ 3.31Å; M409-F553 WeakPolarHBondContact O-CZ 3.45Å; M409-I557 HydrophobicContact CB-CG2 4.26Å; M409-I557 HydrophobicContact CG-CG2 4.41Å; M409-V558 HydrophobicContact CE-CG1 4.05Å; M409-V558 HydrophobicContact SD-CG2 4.31Å; M409-V561 HydrophobicContact CB-CG2 4.49Å; M409-V561 HydrophobicContact CE-CB 3.76Å; M409-V561 HydrophobicContact CE-CG1 3.48Å; M409-V561 VanDerWaalsContact CE-CG1 3.48Å; M409-V561 HydrophobicContact CG-CB 3.85Å; M409-V561 HydrophobicContact CG-CG1 3.99Å; M409-V561 HydrophobicContact CG-CG2 3.61Å
410	T	98.6	Very high	97.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64	-42.3	-179.1	-49.3	0	0	0	0	111.5	M406 V407 V408 Q413 R414 M465 A469 L470 T473	M406-T410 WeakPolarHBondContact O-CB 3.45Å; M406-T410 PolarHBondContact O-N 3.1Å; M406-T410 PolarHBondContact O-OG1 3.01Å; V407-T410 PolarHBondContact O-N 3.48Å; V408-T410 VanDerWaalsContact C-N 3.34Å; V408-T410 PolarHBondContact O-N 2.87Å; T410-Q413 PolarHBondContact O-N 3.1Å; T410-R414 HydrophobicContact CG2-CG 4.41Å; T410-R414 WeakPolarHBondContact O-CB 3.4Å; T410-R414 VanDerWaalsContact O-CG 3.32Å; T410-R414 WeakPolarHBondContact O-CG 3.29Å; T410-R414 PolarHBondContact O-N 3.27Å; T410-M465 HydrophobicContact CG2-CE 4.25Å; T410-M465 HydrophobicContact CG2-SD 3.55Å; T410-M465 VanDerWaalsContact CG2-SD 3.55Å; T410-A469 HydrophobicContact CG2-CB 4.01Å; T410-L470 HydrophobicContact CG2-CD2 4.32Å; T410-T473 WeakPolarHBondContact OG1-CB 3.33Å; T410-T473 WeakPolarHBondContact OG1-CG2 3.4Å; T410-T473 PolarHBondContact OG1-OG1 3.48Å
411	A	98.7	Very high	98	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.1	-38.9	-179.7	0	0	0	0	0	112.4	V407 V408 M409 G415 V416 V417 L461 M465	V407-A411 WeakPolarHBondContact O-CB 3.44Å; V407-A411 PolarHBondContact O-N 3.29Å; V408-A411 PolarHBondContact O-N 3.17Å; M409-A411 PolarHBondContact O-N 3.48Å; A411-G415 PolarHBondContact O-N 3.43Å; A411-V416 PolarHBondContact O-N 3.14Å; A411-V416 VanDerWaalsContact O-N 3.12Å; A411-V417 HydrophobicContact CB-CG2 3.72Å; A411-L461 HydrophobicContact CB-CB 4.15Å; A411-L461 HydrophobicContact CB-CD1 4.08Å; A411-L461 HydrophobicContact CB-CD2 3.99Å; A411-L461 HydrophobicContact CB-CG 4.29Å; A411-M465 VanDerWaalsContact CA-SD 3.54Å; A411-M465 HydrophobicContact CB-CE 4.24Å; A411-M465 HydrophobicContact CB-SD 4.03Å
412	L	98.6	Very high	98	Very high	23 Å²	23	42.7 Å²	42.7	12%	0.12	22%	0.221	C	C	.	.	H	α-helix	trans	-64.7	-46.5	171.7	-71.7	169	0	0	0	111.4	V408 M409 R414 G415 V417 E419 L446 I557 T560 V561	V408-L412 HydrophobicContact CG1-CD1 4.04Å; V408-L412 WeakPolarHBondContact O-CG 3.26Å; V408-L412 PolarHBondContact O-N 3.12Å; M409-L412 PolarHBondContact O-N 3.22Å; L412-R414 VanDerWaalsContact C-N 3.26Å; L412-R414 PolarHBondContact O-N 3.01Å; L412-G415 PolarHBondContact O-N 3.25Å; L412-V417 HydrophobicContact CD2-CG2 4.22Å; L412-V417 HydrophobicContact CG-CG2 4.45Å; L412-E419 HydrophobicContact CD2-CG 4.25Å; L412-L446 HydrophobicContact CD2-CD1 3.77Å; L412-L446 HydrophobicContact CG-CD1 4.2Å; L412-I557 HydrophobicContact CB-CG2 3.81Å; L412-I557 HydrophobicContact CD1-CG2 3.98Å; L412-T560 HydrophobicContact CD1-CG2 4.36Å; L412-V561 HydrophobicContact CD1-CG2 3.89Å
413	Q	98.2	Very high	98	Very high	62 Å²	62	43.8 Å²	43.8	29%	0.29	23%	0.227	S	C	.	.	H	α-helix	trans	-60	-36.7	179	174.2	173.6	65.3	0	0	112.5	M409 T410 G415 F553 I557	M409-Q413 WeakPolarHBondContact O-CB 3.35Å; M409-Q413 PolarHBondContact O-N 3.07Å; T410-Q413 PolarHBondContact O-N 3.1Å; Q413-G415 VanDerWaalsContact C-N 3.29Å; Q413-F553 HydrophobicContact CB-CE1 4.07Å; Q413-F553 HydrophobicContact CB-CE2 4.5Å; Q413-F553 HydrophobicContact CB-CZ 3.59Å; Q413-F553 HydrophobicContact CG-CZ 4.18Å; Q413-I557 HydrophobicContact CB-CD1 3.78Å
414	R	97.6	Very high	98	Very high	123 Å²	123	47.8 Å²	47.8	46%	0.464	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-3.4	179.8	-66.6	-70.2	-174.6	162.4	0.9	113.3	T410 L412 V416 M465	T410-R414 HydrophobicContact CG2-CG 4.41Å; T410-R414 WeakPolarHBondContact O-CB 3.4Å; T410-R414 VanDerWaalsContact O-CG 3.32Å; T410-R414 WeakPolarHBondContact O-CG 3.29Å; T410-R414 PolarHBondContact O-N 3.27Å; L412-R414 VanDerWaalsContact C-N 3.26Å; L412-R414 PolarHBondContact O-N 3.01Å; R414-V416 HydrophobicContact CB-CG2 4.02Å; R414-V416 PolarHBondContact O-N 3.26Å; R414-M465 HydrophobicContact CG-SD 4.36Å
415	G	97.4	Very high	97.9	Very high	63 Å²	63	47.8 Å²	47.8	65%	0.649	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	68	16.6	-179.2	0	0	0	0	0	114.4	A411 L412 Q413 V417	A411-G415 PolarHBondContact O-N 3.43Å; L412-G415 PolarHBondContact O-N 3.25Å; Q413-G415 VanDerWaalsContact C-N 3.29Å; G415-V417 PolarHBondContact O-N 3.12Å
416	V	97.3	Very high	97.9	Very high	58 Å²	58	50.8 Å²	50.8	35%	0.352	26%	0.264	S	S	.	.	S	Bend	trans	-71.5	-26.3	177.6	176.5	0	0	0	0	110.9	A411 R414 A464 M465	A411-V416 PolarHBondContact O-N 3.14Å; A411-V416 VanDerWaalsContact O-N 3.12Å; R414-V416 HydrophobicContact CB-CG2 4.02Å; R414-V416 PolarHBondContact O-N 3.26Å; V416-A464 HydrophobicContact CG1-CB 3.49Å; V416-A464 VanDerWaalsContact CG1-CB 3.49Å; V416-M465 HydrophobicContact CG2-CG 3.93Å
417	V	98.1	Very high	97.8	Very high	15 Å²	15	52.2 Å²	52.2	9%	0.091	27%	0.273	C	S	.	.	S	Bend	trans	-140.4	161.4	175.1	-68.7	0	0	0	0	110.6	A411 L412 G415 L423 L446 L461	A411-V417 HydrophobicContact CB-CG2 3.72Å; L412-V417 HydrophobicContact CD2-CG2 4.22Å; L412-V417 HydrophobicContact CG-CG2 4.45Å; G415-V417 PolarHBondContact O-N 3.12Å; V417-L423 HydrophobicContact CG1-CD2 4.07Å; V417-L446 HydrophobicContact CB-CD1 4.34Å; V417-L446 HydrophobicContact CG2-CD1 3.84Å; V417-L446 HydrophobicContact CG2-CD2 4.2Å; V417-L461 HydrophobicContact CB-CD2 4.39Å; V417-L461 HydrophobicContact CG1-CD2 3.45Å; V417-L461 VanDerWaalsContact CG1-CD2 3.45Å; V417-L461 HydrophobicContact CG2-CD2 4.04Å
418	R	97.6	Very high	97.8	Very high	194 Å²	194	54.6 Å²	54.6	73%	0.732	28%	0.282	S	S	*	.			trans	-109.4	165.1	170.2	-62.2	179.2	-179	154.3	-0.2	109.4	N420 S421 L446	R418-N420 PolarHBondContact O-N 3.45Å; R418-S421 PolarHBondContact N-OG 2.82Å; R418-S421 WeakPolarHBondContact O-CB 3.36Å; R418-S421 PolarHBondContact O-N 2.95Å; R418-S421 PolarHBondContact O-OG 3.08Å; R418-L446 VanDerWaalsContact O-CD1 3.22Å; R418-L446 WeakPolarHBondContact O-CD1 3.5Å
419	E	96.2	Very high	97.7	Very high	113 Å²	113	63.3 Å²	63.3	53%	0.528	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-37.2	-176.7	-55.1	-168.8	168.2	0	0	113.3	L412 T560 M564	L412-E419 HydrophobicContact CD2-CG 4.25Å; E419-T560 HydrophobicContact CB-CG2 4.44Å; E419-T560 HydrophobicContact CG-CG2 3.8Å; E419-T560 VanDerWaalsContact OE1-CG2 3.25Å; E419-T560 WeakPolarHBondContact OE1-CG2 3.41Å; E419-T560 PolarHBondContact OE1-OG1 3.13Å; E419-M564 HydrophobicContact CB-CE 4.3Å
420	N	95.6	Very high	97.5	Very high	132 Å²	132	64 Å²	64	71%	0.706	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	9	178.4	68.2	-19.2	0	0	0	114	R418 V422	R418-N420 PolarHBondContact O-N 3.45Å; N420-V422 PolarHBondContact O-N 3.43Å
421	S	98	Very high	97.1	Very high	30 Å²	30	69 Å²	69	21%	0.21	35%	0.346	C	S	.	.			trans	-61.5	135.5	176.6	-72.1	0	0	0	0	111.1	R418 T445 L446	R418-S421 PolarHBondContact N-OG 2.82Å; R418-S421 WeakPolarHBondContact O-CB 3.36Å; R418-S421 PolarHBondContact O-N 2.95Å; R418-S421 PolarHBondContact O-OG 3.08Å; S421-T445 WeakPolarHBondContact O-CA 3.49Å; S421-L446 PolarHBondContact O-N 3.31Å
422	V	98.1	Very high	96.8	Very high	82 Å²	82	71.3 Å²	71.3	50%	0.497	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.6	171.8	-179.8	0	0	0	0	107.9	N420 E443 T445	N420-V422 PolarHBondContact O-N 3.43Å; V422-E443 HydrophobicContact CG1-CB 3.74Å; V422-E443 HydrophobicContact CG1-CG 4.08Å; V422-T445 HydrophobicContact CG2-CG2 4.16Å
423	L	97.9	Very high	96.6	Very high	24 Å²	24	75.9 Å²	75.9	13%	0.126	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	136.1	-179.6	-56.5	-175.8	0	0	0	109.7	V417 T425 E443 L444 L446 V449 L461	V417-L423 HydrophobicContact CG1-CD2 4.07Å; L423-T425 HydrophobicContact CB-CG2 4.49Å; L423-T425 PolarHBondContact O-N 2.9Å; L423-E443 CarbonylContact O-C 3.59Å; L423-E443 WeakPolarHBondContact O-CA 3.24Å; L423-L444 PolarHBondContact N-O 2.82Å; L423-L444 PolarHBondContact O-N 3.46Å; L423-L446 HydrophobicContact CD1-CD2 4Å; L423-L446 HydrophobicContact CG-CD2 4.36Å; L423-V449 HydrophobicContact CD1-CG2 4.12Å; L423-L461 HydrophobicContact CD1-CD1 4.24Å; L423-L461 HydrophobicContact CD1-CD2 3.77Å; L423-L461 HydrophobicContact CD1-CG 3.89Å; L423-L461 HydrophobicContact CD2-CD2 4.31Å
424	N	97.6	Very high	96.5	Very high	83 Å²	83	77.8 Å²	77.8	44%	0.444	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	123.5	163.7	175.4	-46.6	0	0	0	108.8	I426 K460	N424-I426 WeakPolarHBondContact OD1-CB 3.49Å; N424-I426 PolarHBondContact OD1-N 2.71Å; N424-K460 WeakPolarHBondContact O-CD 3.35Å; N424-K460 WeakPolarHBondContact O-CE 3.31Å; N424-K460 PolarHBondContact O-NZ 2.85Å; N424-K460 PolarHBondContact OD1-NZ 3.1Å
425	T	97.7	Very high	96.5	Very high	1 Å²	1	72.4 Å²	72.4	1%	0.006	38%	0.379	C	S	.	.			trans	-115.4	20.2	-179.9	52.1	0	0	0	0	113.3	L423 Y441 S442 E443 L444	L423-T425 HydrophobicContact CB-CG2 4.49Å; L423-T425 PolarHBondContact O-N 2.9Å; T425-Y441 CarbonylContact C-O 3.56Å; T425-Y441 PolarHBondContact OG1-O 3.45Å; T425-S442 PolarHBondContact N-O 3.17Å; T425-E443 PolarHBondContact OG1-N 2.94Å; T425-L444 HydrophobicContact CG2-CB 3.98Å; T425-L444 HydrophobicContact CG2-CD1 4.07Å; T425-L444 HydrophobicContact CG2-CG 4.11Å
426	I	97.8	Very high	96.5	Very high	63 Å²	63	75.1 Å²	75.1	32%	0.323	37%	0.373	S	S	.	.			trans	-62.4	131.3	169.5	-59.6	177.1	0	0	0	108.9	N424 V456	N424-I426 WeakPolarHBondContact OD1-CB 3.49Å; N424-I426 PolarHBondContact OD1-N 2.71Å; I426-V456 WeakPolarHBondContact O-CG1 3.36Å
427	P	97.5	Very high	96.4	Very high	30 Å²	30	73.2 Å²	73.2	20%	0.195	36%	0.361	C	S	.	.			trans	-51.3	145	174.4	-28.5	35.3	0	0	0	112.8	E434 I435 K436	P427-E434 HydrophobicContact CB-CG 4.33Å; P427-I435 VanDerWaalsContact CA-O 3.3Å; P427-I435 WeakPolarHBondContact CA-O 3.33Å; P427-I435 WeakPolarHBondContact CB-O 3.46Å; P427-K436 HydrophobicContact CB-CB 4.09Å; P427-K436 HydrophobicContact CG-CB 4.07Å
428	Y	97	Very high	96	Very high	50 Å²	50	78.8 Å²	78.8	20%	0.196	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	162.8	-177.5	70.8	-73.4	0	0	0	110.6	I430 I435 V456 S459 K460 L463	Y428-I430 HydrophobicContact CD2-CD1 4.4Å; Y428-I430 HydrophobicContact CD2-CG1 3.89Å; Y428-I430 HydrophobicContact CE2-CD1 3.46Å; Y428-I430 VanDerWaalsContact CE2-CD1 3.46Å; Y428-I430 HydrophobicContact CE2-CG1 3.4Å; Y428-I430 VanDerWaalsContact CE2-CG1 3.4Å; Y428-I435 HydrophobicContact CD1-CB 4.24Å; Y428-I435 HydrophobicContact CE1-CB 3.87Å; Y428-I435 HydrophobicContact CE1-CG1 4.39Å; Y428-I435 HydrophobicContact CE1-CG2 4.1Å; Y428-I435 PolarHBondContact N-O 2.94Å; Y428-I435 PolarHBondContact O-N 3.12Å; Y428-V456 HydrophobicContact CD1-CG1 3.88Å; Y428-V456 HydrophobicContact CE1-CG1 3.83Å; Y428-S459 VanDerWaalsContact OH-CB 3.29Å; Y428-S459 WeakPolarHBondContact OH-CB 3.38Å; Y428-S459 PolarHBondContact OH-OG 2.89Å; Y428-K460 HydrophobicContact CE1-CG 3.99Å; Y428-L463 HydrophobicContact CE2-CD1 3.97Å; Y428-L463 VanDerWaalsContact OH-CD1 3.24Å; Y428-L463 WeakPolarHBondContact OH-CD1 3.46Å
429	R	96.9	Very high	95.8	Very high	183 Å²	183	71.5 Å²	71.5	69%	0.691	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	140	-178.8	-60.3	-174.8	83.5	138.1	-2	111.8	G432 H433 E434	R429-G432 PolarHBondContact NE-O 2.99Å; R429-G432 PolarHBondContact NH2-O 3.38Å; R429-H433 CarbonylContact C-O 3.54Å; R429-H433 VanDerWaalsContact CA-O 3.23Å; R429-H433 WeakPolarHBondContact CA-O 3.23Å; R429-E434 HydrophobicContact CG-CB 4.35Å
430	I	94.1	Very high	95.7	Very high	14 Å²	14	74.5 Å²	74.5	7%	0.072	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127	171	-52.3	172	0	0	0	107.1	Y428 G432 H433 I435 L463 D503 I504 A507	Y428-I430 HydrophobicContact CD2-CD1 4.4Å; Y428-I430 HydrophobicContact CD2-CG1 3.89Å; Y428-I430 HydrophobicContact CE2-CD1 3.46Å; Y428-I430 VanDerWaalsContact CE2-CD1 3.46Å; Y428-I430 HydrophobicContact CE2-CG1 3.4Å; Y428-I430 VanDerWaalsContact CE2-CG1 3.4Å; I430-G432 PolarHBondContact O-N 3.33Å; I430-G432 VanDerWaalsContact O-N 3.1Å; I430-H433 PolarHBondContact N-O 3.29Å; I430-H433 PolarHBondContact O-N 3.05Å; I430-I435 HydrophobicContact CD1-CG1 3.94Å; I430-I435 HydrophobicContact CG1-CG1 4.35Å; I430-L463 HydrophobicContact CD1-CD1 3.62Å; I430-D503 HydrophobicContact CG2-CB 3.59Å; I430-I504 HydrophobicContact CG2-CB 4.23Å; I430-A507 HydrophobicContact CD1-CB 3.78Å
431	N	92.2	Very high	95.6	Very high	107 Å²	107	71.8 Å²	71.8	57%	0.572	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	40.6	178	-60.4	18.2	0	0	0	112.7	H433 I504	N431-H433 VanDerWaalsContact C-N 3.26Å; N431-H433 PolarHBondContact O-CD2 3.04Å; N431-H433 VanDerWaalsContact O-CD2 3.3Å; N431-H433 PolarHBondContact O-N 3.26Å; N431-I504 HydrophobicContact CB-CB 4.37Å; N431-I504 HydrophobicContact CB-CG2 4.36Å
432	G	92.2	Very high	95.5	Very high	48 Å²	48	74 Å²	74	50%	0.495	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	-10.6	-178.3	0	0	0	0	0	115.7	R429 I430	R429-G432 PolarHBondContact NE-O 2.99Å; R429-G432 PolarHBondContact NH2-O 3.38Å; I430-G432 PolarHBondContact O-N 3.33Å; I430-G432 VanDerWaalsContact O-N 3.1Å
433	H	93.9	Very high	95.5	Very high	118 Å²	118	76.1 Å²	76.1	55%	0.546	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	135	178	-62.9	-80.9	0	0	0	111.8	R429 I430 N431 I504	R429-H433 CarbonylContact C-O 3.54Å; R429-H433 VanDerWaalsContact CA-O 3.23Å; R429-H433 WeakPolarHBondContact CA-O 3.23Å; I430-H433 PolarHBondContact N-O 3.29Å; I430-H433 PolarHBondContact O-N 3.05Å; N431-H433 VanDerWaalsContact C-N 3.26Å; N431-H433 PolarHBondContact O-CD2 3.04Å; N431-H433 VanDerWaalsContact O-CD2 3.3Å; N431-H433 PolarHBondContact O-N 3.26Å; H433-I504 HydrophobicContact CB-CD1 3.86Å
434	E	96.5	Very high	95.5	Very high	103 Å²	103	75.9 Å²	75.9	48%	0.481	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	123.6	175.1	-176	-176.3	-133	0	0	110.7	P427 R429 K436	P427-E434 HydrophobicContact CB-CG 4.33Å; R429-E434 HydrophobicContact CG-CB 4.35Å; E434-K436 HydrophobicContact CG-CB 4.49Å; E434-K436 IonicContact OE2-NZ 3.12Å
435	I	97.2	Very high	95.5	Very high	9 Å²	9	74.8 Å²	74.8	5%	0.046	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121	168	-52.5	-58.4	0	0	0	108.1	P427 Y428 I430 N455 V456 I504 A507 F511	P427-I435 VanDerWaalsContact CA-O 3.3Å; P427-I435 WeakPolarHBondContact CA-O 3.33Å; P427-I435 WeakPolarHBondContact CB-O 3.46Å; Y428-I435 HydrophobicContact CD1-CB 4.24Å; Y428-I435 HydrophobicContact CE1-CB 3.87Å; Y428-I435 HydrophobicContact CE1-CG1 4.39Å; Y428-I435 HydrophobicContact CE1-CG2 4.1Å; Y428-I435 PolarHBondContact N-O 2.94Å; Y428-I435 PolarHBondContact O-N 3.12Å; I430-I435 HydrophobicContact CD1-CG1 3.94Å; I430-I435 HydrophobicContact CG1-CG1 4.35Å; I435-N455 HydrophobicContact CG2-CB 4.37Å; I435-V456 HydrophobicContact CG2-CG2 4.24Å; I435-V456 WeakPolarHBondContact O-CG2 3.45Å; I435-I504 HydrophobicContact CD1-CD1 4Å; I435-A507 HydrophobicContact CD1-CB 4.15Å; I435-A507 HydrophobicContact CG1-CB 4.43Å; I435-F511 HydrophobicContact CD1-CE1 4.43Å; I435-F511 HydrophobicContact CD1-CZ 4.39Å; I435-F511 HydrophobicContact CG2-CE1 4.32Å
436	K	96.5	Very high	95.6	Very high	120 Å²	120	74.8 Å²	74.8	52%	0.522	38%	0.378	S	S	.	.			trans	-142.6	158.8	-179.2	67.3	-179.3	172	-163.1	0	113	P427 E434 N455	P427-K436 HydrophobicContact CB-CB 4.09Å; P427-K436 HydrophobicContact CG-CB 4.07Å; E434-K436 HydrophobicContact CG-CB 4.49Å; E434-K436 IonicContact OE2-NZ 3.12Å; K436-N455 PolarHBondContact O-ND2 2.9Å
437	D	95.5	Very high	95.6	Very high	19 Å²	19	74 Å²	74	10%	0.102	38%	0.376	C	S	.	.			trans	-91.2	164.1	172.4	-65.3	-15.5	0	0	0	110.7	A439 S454 N455 V456	D437-A439 VanDerWaalsContact C-N 3.29Å; D437-A439 WeakPolarHBondContact CB-O 3.19Å; D437-A439 PolarHBondContact O-N 2.76Å; D437-S454 VanDerWaalsContact OD1-CA 3.31Å; D437-S454 WeakPolarHBondContact OD1-CA 3.22Å; D437-S454 PolarHBondContact OD1-OG 2.92Å; D437-S454 WeakPolarHBondContact OD2-CB 3.37Å; D437-S454 PolarHBondContact OD2-OG 2.97Å; D437-N455 WeakPolarHBondContact OD1-CA 3.39Å; D437-N455 PolarHBondContact OD1-N 2.8Å; D437-V456 PolarHBondContact OD1-N 2.95Å
438	V	90.3	Very high	95.6	Very high	131 Å²	131	72.8 Å²	72.8	79%	0.794	37%	0.369	S	S	*	.	S	Bend	trans	-63.4	-38.7	175.7	176.2	0	0	0	0	111.1
439	A	92.4	Very high	95.7	Very high	42 Å²	42	70.4 Å²	70.4	35%	0.347	36%	0.36	S	S	.	.	S	Bend	trans	-121.4	145.6	172.2	0	0	0	0	0	109.2	D437 Y441	D437-A439 VanDerWaalsContact C-N 3.29Å; D437-A439 WeakPolarHBondContact CB-O 3.19Å; D437-A439 PolarHBondContact O-N 2.76Å; A439-Y441 HydrophobicContact CB-CE2 3.76Å; A439-Y441 VanDerWaalsContact O-CD2 3.31Å; A439-Y441 WeakPolarHBondContact O-CD2 3.26Å; A439-Y441 WeakPolarHBondContact O-CE2 3.42Å
440	R	94	Very high	95.7	Very high	176 Å²	176	61.7 Å²	61.7	66%	0.664	33%	0.327	S	S	*	.			trans	-80.1	126.4	-179.1	-173.5	178.8	179.3	102.6	-2.7	110.2
441	Y	94.4	Very high	95.9	Very high	75 Å²	75	62.9 Å²	62.9	29%	0.294	33%	0.332	S	S	.	.			trans	-126.8	133	170	-56.6	-73.8	0	0	0	108	T425 A439 E443 L444 K452	T425-Y441 CarbonylContact C-O 3.56Å; T425-Y441 PolarHBondContact OG1-O 3.45Å; A439-Y441 HydrophobicContact CB-CE2 3.76Å; A439-Y441 VanDerWaalsContact O-CD2 3.31Å; A439-Y441 WeakPolarHBondContact O-CD2 3.26Å; A439-Y441 WeakPolarHBondContact O-CE2 3.42Å; Y441-E443 VanDerWaalsContact C-N 3.34Å; Y441-L444 HydrophobicContact CD1-CD2 4.4Å; Y441-L444 HydrophobicContact CD2-CD1 4.02Å; Y441-L444 HydrophobicContact CD2-CD2 4.48Å; Y441-L444 HydrophobicContact CG-CD1 4.25Å; Y441-L444 HydrophobicContact CG-CD2 4.05Å; Y441-L444 HydrophobicContact CG-CG 4.3Å; Y441-K452 HydrophobicContact CD2-CB 4.41Å; Y441-K452 HydrophobicContact CE2-CB 3.84Å; Y441-K452 HydrophobicContact CE2-CD 4.36Å; Y441-K452 HydrophobicContact CE2-CG 4Å
442	S	96.1	Very high	96.1	Very high	77 Å²	77	61.1 Å²	61.1	54%	0.538	32%	0.319	S	S	.	.	S	Bend	trans	-66.2	-42	176.1	44.4	0	0	0	0	111.1	T425	T425-S442 PolarHBondContact N-O 3.17Å
443	E	97.7	Very high	96.3	Very high	126 Å²	126	60.2 Å²	60.2	59%	0.589	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.1	150.4	-177.8	63.1	-172	-165.9	0	0	111.7	V422 L423 T425 Y441	V422-E443 HydrophobicContact CG1-CB 3.74Å; V422-E443 HydrophobicContact CG1-CG 4.08Å; L423-E443 CarbonylContact O-C 3.59Å; L423-E443 WeakPolarHBondContact O-CA 3.24Å; T425-E443 PolarHBondContact OG1-N 2.94Å; Y441-E443 VanDerWaalsContact C-N 3.34Å
444	L	98.1	Very high	96.5	Very high	18 Å²	18	54.6 Å²	54.6	9%	0.094	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	141.7	175.7	-69.6	175.8	0	0	0	110.2	L423 T425 Y441 V449 K452	L423-L444 PolarHBondContact N-O 2.82Å; L423-L444 PolarHBondContact O-N 3.46Å; T425-L444 HydrophobicContact CG2-CB 3.98Å; T425-L444 HydrophobicContact CG2-CD1 4.07Å; T425-L444 HydrophobicContact CG2-CG 4.11Å; Y441-L444 HydrophobicContact CD1-CD2 4.4Å; Y441-L444 HydrophobicContact CD2-CD1 4.02Å; Y441-L444 HydrophobicContact CD2-CD2 4.48Å; Y441-L444 HydrophobicContact CG-CD1 4.25Å; Y441-L444 HydrophobicContact CG-CD2 4.05Å; Y441-L444 HydrophobicContact CG-CG 4.3Å; L444-V449 HydrophobicContact CB-CG2 3.99Å; L444-K452 HydrophobicContact CD1-CB 4.22Å; L444-K452 HydrophobicContact CD1-CG 4.48Å; L444-K452 HydrophobicContact CD2-CG 4.23Å
445	T	98.3	Very high	96.6	Very high	61 Å²	61	51.5 Å²	51.5	37%	0.374	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	167	162.7	60.3	0	0	0	0	110.5	S421 V422 T447 G448 V449	S421-T445 WeakPolarHBondContact O-CA 3.49Å; V422-T445 HydrophobicContact CG2-CG2 4.16Å; T445-T447 VanDerWaalsContact C-N 3.25Å; T445-T447 PolarHBondContact O-N 3.06Å; T445-G448 CarbonylContact O-C 3.21Å; T445-G448 WeakPolarHBondContact O-CA 3.24Å; T445-G448 PolarHBondContact O-N 3.33Å; T445-G448 PolarHBondContact OG1-N 3.44Å; T445-V449 WeakPolarHBondContact O-CG2 3.48Å; T445-V449 PolarHBondContact O-N 3.14Å
446	L	98.2	Very high	96.6	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.3	-39.1	172.9	-62.6	-175.1	0	0	0	112.6	V408 L412 V417 R418 S421 L423 V449 L450 L461 M564	V408-L446 HydrophobicContact CG1-CB 4.33Å; V408-L446 HydrophobicContact CG1-CD1 4.27Å; L412-L446 HydrophobicContact CD2-CD1 3.77Å; L412-L446 HydrophobicContact CG-CD1 4.2Å; V417-L446 HydrophobicContact CB-CD1 4.34Å; V417-L446 HydrophobicContact CG2-CD1 3.84Å; V417-L446 HydrophobicContact CG2-CD2 4.2Å; R418-L446 VanDerWaalsContact O-CD1 3.22Å; R418-L446 WeakPolarHBondContact O-CD1 3.5Å; S421-L446 PolarHBondContact O-N 3.31Å; L423-L446 HydrophobicContact CD1-CD2 4Å; L423-L446 HydrophobicContact CG-CD2 4.36Å; L446-V449 WeakPolarHBondContact O-CB 3.19Å; L446-V449 PolarHBondContact O-N 3.17Å; L446-L450 PolarHBondContact O-N 3.46Å; L446-L461 HydrophobicContact CD2-CD1 4.21Å; L446-M564 HydrophobicContact CB-CE 3.82Å; L446-M564 HydrophobicContact CB-SD 3.95Å; L446-M564 HydrophobicContact CD1-CE 4.26Å
447	T	98.2	Very high	96.7	Very high	47 Å²	47	45.3 Å²	45.3	29%	0.288	24%	0.239	S	C	.	.	H	α-helix	trans	-58.3	-48.6	170.2	-52.4	0	0	0	0	110.9	T445 V449 L450 Q451 M564 S567	T445-T447 VanDerWaalsContact C-N 3.25Å; T445-T447 PolarHBondContact O-N 3.06Å; T447-V449 VanDerWaalsContact C-N 3.3Å; T447-V449 PolarHBondContact O-N 3.14Å; T447-L450 PolarHBondContact O-N 3.4Å; T447-Q451 VanDerWaalsContact O-CB 3.24Å; T447-Q451 WeakPolarHBondContact O-CB 3.06Å; T447-Q451 PolarHBondContact O-N 2.96Å; T447-M564 HydrophobicContact CG2-CB 4.47Å; T447-M564 WeakPolarHBondContact OG1-CG 3.48Å; T447-S567 WeakPolarHBondContact CG2-OG 3.4Å
448	G	97.9	Very high	96.9	Very high	4 Å²	4	44.4 Å²	44.4	4%	0.041	23%	0.234	C	C	.	.	H	α-helix	trans	-58.8	-38.4	176.9	0	0	0	0	0	113.2	T445 L450 Q451 K452	T445-G448 CarbonylContact O-C 3.21Å; T445-G448 WeakPolarHBondContact O-CA 3.24Å; T445-G448 PolarHBondContact O-N 3.33Å; T445-G448 PolarHBondContact OG1-N 3.44Å; G448-L450 PolarHBondContact O-N 2.74Å; G448-Q451 PolarHBondContact O-N 3.31Å; G448-K452 WeakPolarHBondContact O-CB 3.28Å; G448-K452 WeakPolarHBondContact O-CG 3.17Å; G448-K452 PolarHBondContact O-N 3.46Å
449	V	98.3	Very high	97.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.3	-43.8	176.1	168.2	0	0	0	0	111.2	L423 L444 T445 L446 T447 S453 S454 V458	L423-V449 HydrophobicContact CD1-CG2 4.12Å; L444-V449 HydrophobicContact CB-CG2 3.99Å; T445-V449 WeakPolarHBondContact O-CG2 3.48Å; T445-V449 PolarHBondContact O-N 3.14Å; L446-V449 WeakPolarHBondContact O-CB 3.19Å; L446-V449 PolarHBondContact O-N 3.17Å; T447-V449 VanDerWaalsContact C-N 3.3Å; T447-V449 PolarHBondContact O-N 3.14Å; V449-S453 CarbonylContact O-C 3.59Å; V449-S453 VanDerWaalsContact O-CA 3.22Å; V449-S453 WeakPolarHBondContact O-CA 3.08Å; V449-S453 PolarHBondContact O-N 3.25Å; V449-S454 PolarHBondContact O-N 2.59Å; V449-V458 HydrophobicContact CG1-CG1 3.62Å
450	L	98.2	Very high	97.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-73.8	-44.8	175.9	-65.5	-178.7	0	0	0	112	K404 P405 V408 L446 T447 G448 S453 V561 M564 M565	K404-L450 HydrophobicContact CB-CD2 3.87Å; P405-L450 HydrophobicContact CG-CD2 4.36Å; V408-L450 HydrophobicContact CG2-CD1 4.3Å; V408-L450 HydrophobicContact CG2-CD2 3.81Å; V408-L450 HydrophobicContact CG2-CG 4.02Å; L446-L450 PolarHBondContact O-N 3.46Å; T447-L450 PolarHBondContact O-N 3.4Å; G448-L450 PolarHBondContact O-N 2.74Å; L450-S453 PolarHBondContact O-N 2.91Å; L450-V561 HydrophobicContact CD1-CG1 3.97Å; L450-M564 HydrophobicContact CD1-CB 3.9Å; L450-M565 HydrophobicContact CD1-CG 4.09Å
451	Q	97.7	Very high	97.7	Very high	40 Å²	40	30.8 Å²	30.8	19%	0.187	16%	0.161	C	C	.	.	H	α-helix	trans	-56	-52	-179.5	-172.8	178.1	43	0	0	112.5	T447 G448 S453 S567 G574	T447-Q451 VanDerWaalsContact O-CB 3.24Å; T447-Q451 WeakPolarHBondContact O-CB 3.06Å; T447-Q451 PolarHBondContact O-N 2.96Å; G448-Q451 PolarHBondContact O-N 3.31Å; Q451-S453 VanDerWaalsContact C-N 3.34Å; Q451-S567 WeakPolarHBondContact CB-OG 3Å; Q451-S567 WeakPolarHBondContact CG-O 3.41Å; Q451-S567 PolarHBondContact NE2-O 3.04Å; Q451-G574 PolarHBondContact O-N 2.85Å; Q451-G574 VanDerWaalsContact O-N 3.17Å
452	K	96.8	Very high	97.9	Very high	70 Å²	70	27.4 Å²	27.4	30%	0.304	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-2.9	-179.1	-55.4	-58	-174.9	173.7	0	112.6	Y441 L444 G448 S454 G572	Y441-K452 HydrophobicContact CD2-CB 4.41Å; Y441-K452 HydrophobicContact CE2-CB 3.84Å; Y441-K452 HydrophobicContact CE2-CD 4.36Å; Y441-K452 HydrophobicContact CE2-CG 4Å; L444-K452 HydrophobicContact CD1-CB 4.22Å; L444-K452 HydrophobicContact CD1-CG 4.48Å; L444-K452 HydrophobicContact CD2-CG 4.23Å; G448-K452 WeakPolarHBondContact O-CB 3.28Å; G448-K452 WeakPolarHBondContact O-CG 3.17Å; G448-K452 PolarHBondContact O-N 3.46Å; K452-S454 PolarHBondContact O-N 3.3Å; K452-G572 WeakPolarHBondContact CE-O 3.39Å; K452-G572 PolarHBondContact NZ-O 3.39Å
453	S	96.7	Very high	97.9	Very high	28 Å²	28	25.9 Å²	25.9	20%	0.196	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	48.2	-179.6	-160.7	0	0	0	0	112.4	S401 K404 V449 L450 Q451 N455 K588	S401-S453 VanDerWaalsContact CB-OG 3.24Å; S401-S453 WeakPolarHBondContact CB-OG 2.97Å; S401-S453 PolarHBondContact OG-OG 3.4Å; K404-S453 VanDerWaalsContact NZ-C 3.28Å; K404-S453 PolarHBondContact NZ-O 2.98Å; K404-S453 PolarHBondContact NZ-OG 3.05Å; V449-S453 CarbonylContact O-C 3.59Å; V449-S453 VanDerWaalsContact O-CA 3.22Å; V449-S453 WeakPolarHBondContact O-CA 3.08Å; V449-S453 PolarHBondContact O-N 3.25Å; L450-S453 PolarHBondContact O-N 2.91Å; Q451-S453 VanDerWaalsContact C-N 3.34Å; S453-N455 PolarHBondContact O-N 3Å; S453-K588 VanDerWaalsContact CB-NZ 3.31Å; S453-K588 PolarHBondContact OG-NZ 2.99Å
454	S	97.9	Very high	97.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.13	C	C	.	.			trans	-66.3	122.5	-178.9	178.4	0	0	0	0	111.2	K404 D437 V449 K452 V456 G457 V458	K404-S454 PolarHBondContact NZ-O 2.84Å; D437-S454 VanDerWaalsContact OD1-CA 3.31Å; D437-S454 WeakPolarHBondContact OD1-CA 3.22Å; D437-S454 PolarHBondContact OD1-OG 2.92Å; D437-S454 WeakPolarHBondContact OD2-CB 3.37Å; D437-S454 PolarHBondContact OD2-OG 2.97Å; V449-S454 PolarHBondContact O-N 2.59Å; K452-S454 PolarHBondContact O-N 3.3Å; S454-V456 PolarHBondContact OG-N 3.5Å; S454-G457 PolarHBondContact OG-N 3.46Å; S454-V458 WeakPolarHBondContact O-CG2 3.48Å
455	N	97.7	Very high	97.8	Very high	38 Å²	38	22.1 Å²	22.1	20%	0.203	13%	0.127	C	C	.	.	H	α-helix	trans	-73.6	-41	167.7	-67.6	-23.8	0	0	0	110.5	K404 I435 K436 D437 S453 G457 V458 S459 F511	K404-N455 WeakPolarHBondContact CE-OD1 3.2Å; K404-N455 PolarHBondContact NZ-OD1 3.35Å; I435-N455 HydrophobicContact CG2-CB 4.37Å; K436-N455 PolarHBondContact O-ND2 2.9Å; D437-N455 WeakPolarHBondContact OD1-CA 3.39Å; D437-N455 PolarHBondContact OD1-N 2.8Å; S453-N455 PolarHBondContact O-N 3Å; N455-G457 VanDerWaalsContact C-N 3.34Å; N455-G457 PolarHBondContact O-N 3.1Å; N455-V458 WeakPolarHBondContact O-CG2 3.42Å; N455-V458 PolarHBondContact O-N 3.38Å; N455-S459 VanDerWaalsContact O-CB 3.25Å; N455-S459 WeakPolarHBondContact O-CB 3.49Å; N455-S459 PolarHBondContact O-N 2.85Å; N455-S459 PolarHBondContact O-OG 3.19Å; N455-F511 HydrophobicContact CB-CD1 3.9Å; N455-F511 HydrophobicContact CB-CE1 4.19Å; N455-F511 HydrophobicContact CB-CG 4.34Å; N455-F511 WeakPolarHBondContact OD1-CB 3.4Å
456	V	98.4	Very high	97.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.1	-44.1	179.7	178.8	0	0	0	0	111.1	I426 Y428 I435 D437 S454 S459 K460	I426-V456 WeakPolarHBondContact O-CG1 3.36Å; Y428-V456 HydrophobicContact CD1-CG1 3.88Å; Y428-V456 HydrophobicContact CE1-CG1 3.83Å; I435-V456 HydrophobicContact CG2-CG2 4.24Å; I435-V456 WeakPolarHBondContact O-CG2 3.45Å; D437-V456 PolarHBondContact OD1-N 2.95Å; S454-V456 PolarHBondContact OG-N 3.5Å; V456-S459 WeakPolarHBondContact CA-OG 3.42Å; V456-S459 PolarHBondContact O-OG 2.77Å; V456-K460 HydrophobicContact CG1-CD 4.2Å; V456-K460 WeakPolarHBondContact O-CB 3.29Å; V456-K460 WeakPolarHBondContact O-CG 3.27Å; V456-K460 PolarHBondContact O-N 3.02Å
457	G	98.3	Very high	97.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.7	-55.6	177.6	0	0	0	0	0	111.7	S454 N455 S459 K460 L461	S454-G457 PolarHBondContact OG-N 3.46Å; N455-G457 VanDerWaalsContact C-N 3.34Å; N455-G457 PolarHBondContact O-N 3.1Å; G457-S459 VanDerWaalsContact C-N 3.34Å; G457-S459 PolarHBondContact O-N 3.33Å; G457-K460 PolarHBondContact O-N 2.83Å; G457-L461 WeakPolarHBondContact O-CG 3.34Å; G457-L461 PolarHBondContact O-N 2.84Å; G457-L461 VanDerWaalsContact O-N 3.1Å
458	V	98.3	Very high	96.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.6	-30.6	-177.5	-60.7	0	0	0	0	113.5	K404 V407 V449 S454 N455 L461 A462 F511	K404-V458 HydrophobicContact CB-CG1 4.01Å; K404-V458 HydrophobicContact CD-CG1 3.92Å; K404-V458 HydrophobicContact CD-CG2 4.14Å; K404-V458 HydrophobicContact CG-CB 4.45Å; K404-V458 HydrophobicContact CG-CG1 3.82Å; K404-V458 HydrophobicContact CG-CG2 4.13Å; V407-V458 HydrophobicContact CB-CB 4.46Å; V407-V458 HydrophobicContact CG1-CB 4.03Å; V407-V458 HydrophobicContact CG1-CG1 4.45Å; V449-V458 HydrophobicContact CG1-CG1 3.62Å; S454-V458 WeakPolarHBondContact O-CG2 3.48Å; N455-V458 WeakPolarHBondContact O-CG2 3.42Å; N455-V458 PolarHBondContact O-N 3.38Å; V458-L461 PolarHBondContact O-N 3.15Å; V458-A462 WeakPolarHBondContact O-CB 3.38Å; V458-A462 PolarHBondContact O-N 2.93Å; V458-F511 HydrophobicContact CG2-CB 4.01Å; V458-F511 HydrophobicContact CG2-CD1 4.33Å
459	S	98.3	Very high	96.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-70.7	-38.8	176.8	65.6	0	0	0	0	111.5	Y428 N455 V456 G457 A462 L463 S510	Y428-S459 VanDerWaalsContact OH-CB 3.29Å; Y428-S459 WeakPolarHBondContact OH-CB 3.38Å; Y428-S459 PolarHBondContact OH-OG 2.89Å; N455-S459 VanDerWaalsContact O-CB 3.25Å; N455-S459 WeakPolarHBondContact O-CB 3.49Å; N455-S459 PolarHBondContact O-N 2.85Å; N455-S459 PolarHBondContact O-OG 3.19Å; V456-S459 WeakPolarHBondContact CA-OG 3.42Å; V456-S459 PolarHBondContact O-OG 2.77Å; G457-S459 VanDerWaalsContact C-N 3.34Å; G457-S459 PolarHBondContact O-N 3.33Å; S459-A462 PolarHBondContact O-N 3.37Å; S459-L463 WeakPolarHBondContact O-CB 3.38Å; S459-L463 WeakPolarHBondContact O-CG 3.46Å; S459-L463 PolarHBondContact O-N 2.81Å; S459-S510 WeakPolarHBondContact CA-OG 3.48Å; S459-S510 PolarHBondContact N-OG 2.92Å
460	K	98.2	Very high	96.7	Very high	59 Å²	59	25.8 Å²	25.8	26%	0.257	15%	0.153	S	C	.	.	H	α-helix	trans	-63.5	-41.9	172.7	-74.5	180	-177.8	178.5	0	111.7	N424 Y428 V456 G457 A462 L463 A464	N424-K460 WeakPolarHBondContact O-CD 3.35Å; N424-K460 WeakPolarHBondContact O-CE 3.31Å; N424-K460 PolarHBondContact O-NZ 2.85Å; N424-K460 PolarHBondContact OD1-NZ 3.1Å; Y428-K460 HydrophobicContact CE1-CG 3.99Å; V456-K460 HydrophobicContact CG1-CD 4.2Å; V456-K460 WeakPolarHBondContact O-CB 3.29Å; V456-K460 WeakPolarHBondContact O-CG 3.27Å; V456-K460 PolarHBondContact O-N 3.02Å; G457-K460 PolarHBondContact O-N 2.83Å; K460-A462 VanDerWaalsContact C-N 3.34Å; K460-A462 PolarHBondContact O-N 3.36Å; K460-L463 PolarHBondContact O-N 3.4Å; K460-A464 WeakPolarHBondContact O-CB 3.45Å; K460-A464 PolarHBondContact O-N 3.11Å
461	L	98.4	Very high	96.5	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	16%	0.16	C	C	.	.	H	α-helix	trans	-58.6	-46.8	172.8	-65.3	-179.9	0	0	0	111.4	V407 V408 A411 V417 L423 L446 G457 V458 L463 A464 M465	V407-L461 HydrophobicContact CG1-CB 4.13Å; V408-L461 HydrophobicContact CG2-CD1 4.25Å; A411-L461 HydrophobicContact CB-CB 4.15Å; A411-L461 HydrophobicContact CB-CD1 4.08Å; A411-L461 HydrophobicContact CB-CD2 3.99Å; A411-L461 HydrophobicContact CB-CG 4.29Å; V417-L461 HydrophobicContact CB-CD2 4.39Å; V417-L461 HydrophobicContact CG1-CD2 3.45Å; V417-L461 VanDerWaalsContact CG1-CD2 3.45Å; V417-L461 HydrophobicContact CG2-CD2 4.04Å; L423-L461 HydrophobicContact CD1-CD1 4.24Å; L423-L461 HydrophobicContact CD1-CD2 3.77Å; L423-L461 HydrophobicContact CD1-CG 3.89Å; L423-L461 HydrophobicContact CD2-CD2 4.31Å; L446-L461 HydrophobicContact CD2-CD1 4.21Å; G457-L461 WeakPolarHBondContact O-CG 3.34Å; G457-L461 PolarHBondContact O-N 2.84Å; G457-L461 VanDerWaalsContact O-N 3.1Å; V458-L461 PolarHBondContact O-N 3.15Å; L461-L463 VanDerWaalsContact C-N 3.34Å; L461-L463 PolarHBondContact O-N 2.93Å; L461-A464 PolarHBondContact O-N 3.48Å; L461-M465 WeakPolarHBondContact O-CE 3.4Å; L461-M465 WeakPolarHBondContact O-CG 3.39Å; L461-M465 PolarHBondContact O-N 3Å
462	A	97.7	Very high	96.3	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.033	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-39.2	179.4	0	0	0	0	0	112.9	V458 S459 K460 A464 M465 L470 R506 S510	V458-A462 WeakPolarHBondContact O-CB 3.38Å; V458-A462 PolarHBondContact O-N 2.93Å; S459-A462 PolarHBondContact O-N 3.37Å; K460-A462 VanDerWaalsContact C-N 3.34Å; K460-A462 PolarHBondContact O-N 3.36Å; A462-A464 VanDerWaalsContact C-N 3.3Å; A462-A464 PolarHBondContact O-N 3.22Å; A462-M465 PolarHBondContact O-N 2.89Å; A462-L470 HydrophobicContact CB-CD1 3.66Å; A462-R506 PolarHBondContact O-NH2 3.5Å; A462-S510 VanDerWaalsContact CB-CB 3.49Å
463	L	97	Very high	96.3	Very high	45 Å²	45	25.1 Å²	25.1	24%	0.236	16%	0.155	C	C	.	.	H	α-helix	trans	-70.1	-28.1	178.1	-69	169.1	0	0	0	112.8	Y428 I430 S459 K460 L461 M465 D503 R506	Y428-L463 HydrophobicContact CE2-CD1 3.97Å; Y428-L463 VanDerWaalsContact OH-CD1 3.24Å; Y428-L463 WeakPolarHBondContact OH-CD1 3.46Å; I430-L463 HydrophobicContact CD1-CD1 3.62Å; S459-L463 WeakPolarHBondContact O-CB 3.38Å; S459-L463 WeakPolarHBondContact O-CG 3.46Å; S459-L463 PolarHBondContact O-N 2.81Å; K460-L463 PolarHBondContact O-N 3.4Å; L461-L463 VanDerWaalsContact C-N 3.34Å; L461-L463 PolarHBondContact O-N 2.93Å; L463-M465 VanDerWaalsContact C-N 3.32Å; L463-D503 HydrophobicContact CD2-CB 3.65Å; L463-R506 VanDerWaalsContact C-NH2 3.25Å; L463-R506 VanDerWaalsContact CA-NH2 3.29Å; L463-R506 HydrophobicContact CD2-CB 4.24Å; L463-R506 PolarHBondContact O-NH2 2.94Å
464	A	97.3	Very high	96.3	Very high	61 Å²	61	23.8 Å²	23.8	50%	0.504	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.3	176.7	0	0	0	0	0	114.2	V416 K460 L461 A462	V416-A464 HydrophobicContact CG1-CB 3.49Å; V416-A464 VanDerWaalsContact CG1-CB 3.49Å; K460-A464 WeakPolarHBondContact O-CB 3.45Å; K460-A464 PolarHBondContact O-N 3.11Å; L461-A464 PolarHBondContact O-N 3.48Å; A462-A464 VanDerWaalsContact C-N 3.3Å; A462-A464 PolarHBondContact O-N 3.22Å
465	M	97	Very high	96.2	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.02	16%	0.158	C	C	.	.	S	Bend	trans	-110	155.4	175.6	-67.8	-176.3	-71	0	0	111.6	V407 T410 A411 R414 V416 L461 A462 L463 A469 L470 R506	V407-M465 HydrophobicContact CG1-CE 4.31Å; T410-M465 HydrophobicContact CG2-CE 4.25Å; T410-M465 HydrophobicContact CG2-SD 3.55Å; T410-M465 VanDerWaalsContact CG2-SD 3.55Å; A411-M465 VanDerWaalsContact CA-SD 3.54Å; A411-M465 HydrophobicContact CB-CE 4.24Å; A411-M465 HydrophobicContact CB-SD 4.03Å; R414-M465 HydrophobicContact CG-SD 4.36Å; V416-M465 HydrophobicContact CG2-CG 3.93Å; L461-M465 WeakPolarHBondContact O-CE 3.4Å; L461-M465 WeakPolarHBondContact O-CG 3.39Å; L461-M465 PolarHBondContact O-N 3Å; A462-M465 PolarHBondContact O-N 2.89Å; L463-M465 VanDerWaalsContact C-N 3.32Å; M465-A469 HydrophobicContact CB-CB 4.04Å; M465-A469 HydrophobicContact SD-CB 4.48Å; M465-L470 HydrophobicContact CE-CD2 3.75Å; M465-L470 HydrophobicContact CE-CG 4.2Å; M465-R506 PolarHBondContact O-NH2 3.37Å
466	P	94.5	Very high	96.1	Very high	77 Å²	77	27.5 Å²	27.5	50%	0.5	16%	0.163	S	C	.	.			trans	-53.6	148.2	171.3	-25.4	34.5	0	0	0	112.8	S468 A469	P466-S468 PolarHBondContact O-N 2.92Å; P466-S468 VanDerWaalsContact O-N 3.15Å; P466-A469 VanDerWaalsContact O-CB 3.25Å; P466-A469 WeakPolarHBondContact O-CB 3.19Å; P466-A469 PolarHBondContact O-N 3.33Å
467	S	89.2	Confident	96.1	Very high	53 Å²	53	27.5 Å²	27.5	37%	0.371	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.4	-175.9	53.4	0	0	0	0	114
468	S	92.2	Very high	95.9	Very high	48 Å²	48	27.5 Å²	27.5	34%	0.336	16%	0.163	S	C	.	.	H	α-helix	trans	-74.9	-21.5	177.8	66.7	0	0	0	0	113.6	P466 L470 V471 D472	P466-S468 PolarHBondContact O-N 2.92Å; P466-S468 VanDerWaalsContact O-N 3.15Å; S468-L470 VanDerWaalsContact C-N 3.35Å; S468-L470 PolarHBondContact O-N 3.08Å; S468-V471 PolarHBondContact O-N 3.15Å; S468-D472 WeakPolarHBondContact O-CB 3.13Å; S468-D472 PolarHBondContact O-N 3.27Å; S468-D472 PolarHBondContact OG-OD2 3.26Å
469	A	94.7	Very high	95.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.3	-41.4	-165.8	0	0	0	0	0	113.7	T410 M465 P466 T473	T410-A469 HydrophobicContact CG2-CB 4.01Å; M465-A469 HydrophobicContact CB-CB 4.04Å; M465-A469 HydrophobicContact SD-CB 4.48Å; P466-A469 VanDerWaalsContact O-CB 3.25Å; P466-A469 WeakPolarHBondContact O-CB 3.19Å; P466-A469 PolarHBondContact O-N 3.33Å; A469-T473 WeakPolarHBondContact O-CB 3.48Å; A469-T473 PolarHBondContact O-N 3.33Å; A469-T473 PolarHBondContact O-OG1 3.23Å
470	L	95.3	Very high	95.4	Very high	10 Å²	10	28.7 Å²	28.7	5%	0.052	18%	0.175	C	C	.	.	H	α-helix	trans	-75.6	-38.6	176.5	-66.9	-173.3	0	0	0	112.1	V407 T410 A462 M465 S468 D472 T473 Y474 F509	V407-L470 HydrophobicContact CB-CD2 4.22Å; V407-L470 HydrophobicContact CG1-CD2 4.17Å; V407-L470 HydrophobicContact CG2-CD1 4.14Å; V407-L470 HydrophobicContact CG2-CD2 3.91Å; T410-L470 HydrophobicContact CG2-CD2 4.32Å; A462-L470 HydrophobicContact CB-CD1 3.66Å; M465-L470 HydrophobicContact CE-CD2 3.75Å; M465-L470 HydrophobicContact CE-CG 4.2Å; S468-L470 VanDerWaalsContact C-N 3.35Å; S468-L470 PolarHBondContact O-N 3.08Å; L470-D472 VanDerWaalsContact C-N 3.32Å; L470-D472 PolarHBondContact O-N 3.17Å; L470-T473 PolarHBondContact O-N 3.38Å; L470-Y474 WeakPolarHBondContact O-CB 3.46Å; L470-Y474 PolarHBondContact O-N 2.98Å; L470-F509 HydrophobicContact CB-CD1 3.99Å; L470-F509 HydrophobicContact CB-CE1 3.9Å; L470-F509 HydrophobicContact CD1-CD1 4.4Å
471	V	94.3	Very high	95.1	Very high	24 Å²	24	30.8 Å²	30.8	15%	0.145	18%	0.184	C	C	.	.	H	α-helix	trans	-61.6	-43.8	178.6	-177.8	0	0	0	0	110.3	S468 S475 Y495 W501 F509	S468-V471 PolarHBondContact O-N 3.15Å; V471-S475 VanDerWaalsContact O-CB 3.27Å; V471-S475 WeakPolarHBondContact O-CB 3.4Å; V471-S475 PolarHBondContact O-N 3.32Å; V471-Y495 WeakPolarHBondContact CA-OH 3.48Å; V471-Y495 HydrophobicContact CG1-CE1 3.87Å; V471-Y495 PolarHBondContact O-OH 2.84Å; V471-W501 HydrophobicContact CG2-CZ2 3.68Å; V471-F509 HydrophobicContact CG2-CE1 3.83Å; V471-F509 HydrophobicContact CG2-CZ 4.17Å
472	D	94.4	Very high	94.6	Very high	72 Å²	72	32.2 Å²	32.2	39%	0.385	20%	0.196	S	C	.	.	H	α-helix	trans	-65.9	-42.1	177.3	-63.1	-23.8	0	0	0	111	S468 L470 S475 R476	S468-D472 WeakPolarHBondContact O-CB 3.13Å; S468-D472 PolarHBondContact O-N 3.27Å; S468-D472 PolarHBondContact OG-OD2 3.26Å; L470-D472 VanDerWaalsContact C-N 3.32Å; L470-D472 PolarHBondContact O-N 3.17Å; D472-S475 PolarHBondContact O-N 3.5Å; D472-R476 WeakPolarHBondContact O-CB 3.31Å; D472-R476 VanDerWaalsContact O-CG 3.29Å; D472-R476 WeakPolarHBondContact O-CG 3.16Å; D472-R476 PolarHBondContact O-N 2.88Å; D472-R476 PolarHBondContact O-NE 2.93Å
473	T	97.1	Very high	94.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67.7	-49.1	-179.9	-57.9	0	0	0	0	111.7	M406 T410 A469 L470 S475 R476 F477 F553	M406-T473 HydrophobicContact CB-CG2 4.32Å; T410-T473 WeakPolarHBondContact OG1-CB 3.33Å; T410-T473 WeakPolarHBondContact OG1-CG2 3.4Å; T410-T473 PolarHBondContact OG1-OG1 3.48Å; A469-T473 WeakPolarHBondContact O-CB 3.48Å; A469-T473 PolarHBondContact O-N 3.33Å; A469-T473 PolarHBondContact O-OG1 3.23Å; L470-T473 PolarHBondContact O-N 3.38Å; T473-S475 VanDerWaalsContact C-N 3.28Å; T473-S475 PolarHBondContact O-N 3.07Å; T473-R476 WeakPolarHBondContact O-CB 3.45Å; T473-R476 PolarHBondContact O-N 2.84Å; T473-R476 VanDerWaalsContact O-N 3.12Å; T473-R476 PolarHBondContact OG1-NH2 3.47Å; T473-F477 HydrophobicContact CG2-CD2 3.99Å; T473-F477 HydrophobicContact CG2-CE2 3.96Å; T473-F477 WeakPolarHBondContact O-CD2 3.48Å; T473-F477 PolarHBondContact O-N 2.82Å; T473-F553 HydrophobicContact CG2-CD2 4.44Å; T473-F553 HydrophobicContact CG2-CE2 4.03Å
474	Y	97	Very high	94	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.1	-40.3	176.8	-71.9	3.2	0	0	0	111.7	V403 M406 V407 L470 F477 G478 L479 Y495 F509 L515	V403-Y474 HydrophobicContact CB-CE1 4.07Å; V403-Y474 HydrophobicContact CB-CE2 4.47Å; V403-Y474 HydrophobicContact CG2-CE1 4.48Å; V403-Y474 HydrophobicContact CG2-CE2 4.44Å; V403-Y474 WeakPolarHBondContact CG2-OH 3.29Å; M406-Y474 HydrophobicContact CB-CD1 4.09Å; M406-Y474 HydrophobicContact CB-CE1 3.88Å; M406-Y474 HydrophobicContact CE-CD1 3.7Å; M406-Y474 HydrophobicContact CE-CE1 3.91Å; M406-Y474 HydrophobicContact CE-CG 4.48Å; M406-Y474 HydrophobicContact SD-CD1 3.89Å; M406-Y474 HydrophobicContact SD-CE1 4.43Å; V407-Y474 HydrophobicContact CG2-CE1 4.45Å; V407-Y474 WeakPolarHBondContact CG2-OH 3.46Å; L470-Y474 WeakPolarHBondContact O-CB 3.46Å; L470-Y474 PolarHBondContact O-N 2.98Å; Y474-F477 CarbonylContact O-C 3.55Å; Y474-F477 PolarHBondContact O-N 3.2Å; Y474-G478 PolarHBondContact O-N 3.26Å; Y474-L479 HydrophobicContact CD2-CD1 4.34Å; Y474-L479 HydrophobicContact CG-CD1 4.08Å; Y474-L479 WeakPolarHBondContact O-CB 3.28Å; Y474-L479 PolarHBondContact O-N 3.34Å; Y474-Y495 WeakPolarHBondContact CB-OH 3.46Å; Y474-F509 HydrophobicContact CD2-CD1 4.32Å; Y474-F509 AromaticContact CD2-CE1 3.46Å; Y474-F509 HydrophobicContact CD2-CE1 3.46Å; Y474-F509 VanDerWaalsContact CD2-CE1 3.46Å; Y474-F509 HydrophobicContact CD2-CE2 4Å; Y474-F509 AromaticContact CD2-CZ 3.29Å; Y474-F509 HydrophobicContact CD2-CZ 3.29Å; Y474-F509 AromaticContact CE2-CD1 3.79Å; Y474-F509 HydrophobicContact CE2-CD1 3.79Å; Y474-F509 HydrophobicContact CE2-CD2 4.35Å; Y474-F509 AromaticContact CE2-CE1 3.39Å; Y474-F509 HydrophobicContact CE2-CE1 3.39Å; Y474-F509 HydrophobicContact CE2-CE2 4.02Å; Y474-F509 HydrophobicContact CE2-CG 4.26Å; Y474-F509 AromaticContact CE2-CZ 3.54Å; Y474-F509 HydrophobicContact CE2-CZ 3.54Å; Y474-F509 HydrophobicContact CG-CE1 4.46Å; Y474-F509 HydrophobicContact CG-CZ 4.41Å; Y474-F509 PolarHBondContact OH-O 2.85Å; Y474-L515 HydrophobicContact CD2-CD1 3.81Å; Y474-L515 HydrophobicContact CE2-CD1 4.15Å
475	S	95.2	Very high	93.8	Very high	36 Å²	36	34 Å²	34	25%	0.252	20%	0.197	S	C	.	.	H	α-helix	trans	-64.8	-37.5	175.1	-179.9	0	0	0	0	113.2	V471 D472 T473 F477 G478 K481	V471-S475 VanDerWaalsContact O-CB 3.27Å; V471-S475 WeakPolarHBondContact O-CB 3.4Å; V471-S475 PolarHBondContact O-N 3.32Å; D472-S475 PolarHBondContact O-N 3.5Å; T473-S475 VanDerWaalsContact C-N 3.28Å; T473-S475 PolarHBondContact O-N 3.07Å; S475-F477 VanDerWaalsContact C-N 3.34Å; S475-G478 WeakPolarHBondContact O-CA 3.42Å; S475-G478 PolarHBondContact O-N 3.46Å; S475-K481 PolarHBondContact O-NZ 2.86Å; S475-K481 WeakPolarHBondContact OG-CE 3.45Å; S475-K481 PolarHBondContact OG-NZ 2.95Å; S475-K481 VanDerWaalsContact OG-NZ 3.14Å
476	R	95.9	Very high	93.3	Very high	80 Å²	80	35.7 Å²	35.7	30%	0.302	22%	0.216	S	C	.	.	H	α-helix	trans	-64.7	-34.3	173.7	-81	-175.7	-69	171.2	2.1	112.7	D472 T473 G478 V552	D472-R476 WeakPolarHBondContact O-CB 3.31Å; D472-R476 VanDerWaalsContact O-CG 3.29Å; D472-R476 WeakPolarHBondContact O-CG 3.16Å; D472-R476 PolarHBondContact O-N 2.88Å; D472-R476 PolarHBondContact O-NE 2.93Å; T473-R476 WeakPolarHBondContact O-CB 3.45Å; T473-R476 PolarHBondContact O-N 2.84Å; T473-R476 VanDerWaalsContact O-N 3.12Å; T473-R476 PolarHBondContact OG1-NH2 3.47Å; R476-G478 PolarHBondContact O-N 2.83Å; R476-V552 HydrophobicContact CB-CB 4.28Å
477	F	97.4	Very high	93.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	4.8	171.6	-79.7	-101.1	0	0	0	113.3	M406 M409 T473 Y474 S475 V525 T528 I529 F553	M406-F477 HydrophobicContact CG-CD1 4.45Å; M406-F477 HydrophobicContact CG-CD2 4.3Å; M406-F477 HydrophobicContact CG-CE2 4.37Å; M406-F477 HydrophobicContact CG-CG 4.33Å; M406-F477 HydrophobicContact CG-CZ 4.49Å; M406-F477 HydrophobicContact SD-CB 3.67Å; M406-F477 HydrophobicContact SD-CD1 4.05Å; M406-F477 HydrophobicContact SD-CD2 3.9Å; M406-F477 HydrophobicContact SD-CG 3.6Å; M409-F477 HydrophobicContact SD-CZ 3.98Å; T473-F477 HydrophobicContact CG2-CD2 3.99Å; T473-F477 HydrophobicContact CG2-CE2 3.96Å; T473-F477 WeakPolarHBondContact O-CD2 3.48Å; T473-F477 PolarHBondContact O-N 2.82Å; Y474-F477 CarbonylContact O-C 3.55Å; Y474-F477 PolarHBondContact O-N 3.2Å; S475-F477 VanDerWaalsContact C-N 3.34Å; F477-V525 HydrophobicContact CB-CG2 4.22Å; F477-V525 HydrophobicContact CD1-CG1 4.09Å; F477-T528 HydrophobicContact CD1-CG2 3.69Å; F477-T528 HydrophobicContact CE1-CG2 3.64Å; F477-T528 HydrophobicContact CZ-CG2 4.46Å; F477-I529 HydrophobicContact CD1-CG1 4.36Å; F477-I529 HydrophobicContact CE1-CG1 3.71Å; F477-F553 HydrophobicContact CE2-CB 4.22Å; F477-F553 AromaticContact CE2-CD2 3.91Å; F477-F553 HydrophobicContact CE2-CD2 3.91Å; F477-F553 HydrophobicContact CE2-CG 4.22Å; F477-F553 HydrophobicContact CZ-CB 4.13Å; F477-F553 HydrophobicContact CZ-CD2 4.48Å; F477-F553 HydrophobicContact CZ-CG 4.35Å
478	G	95.1	Very high	93.3	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.01	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	1.2	173.3	0	0	0	0	0	115.6	Y474 S475 R476 G480 K481 R524	Y474-G478 PolarHBondContact O-N 3.26Å; S475-G478 WeakPolarHBondContact O-CA 3.42Å; S475-G478 PolarHBondContact O-N 3.46Å; R476-G478 PolarHBondContact O-N 2.83Å; G478-G480 PolarHBondContact O-N 2.73Å; G478-K481 PolarHBondContact O-N 3.4Å; G478-K481 VanDerWaalsContact O-N 3.17Å; G478-R524 PolarHBondContact O-NH2 3.49Å
479	L	95.5	Very high	93.2	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	139.7	177.3	-62.5	-170.4	0	0	0	111.2	V403 M406 Y474 K481 Y495 L515 V517 Q521 V525	V403-L479 HydrophobicContact CG1-CD1 4.47Å; M406-L479 HydrophobicContact CE-CD1 3.99Å; Y474-L479 HydrophobicContact CD2-CD1 4.34Å; Y474-L479 HydrophobicContact CG-CD1 4.08Å; Y474-L479 WeakPolarHBondContact O-CB 3.28Å; Y474-L479 PolarHBondContact O-N 3.34Å; L479-K481 VanDerWaalsContact C-N 3.27Å; L479-K481 PolarHBondContact O-N 3.46Å; L479-Y495 HydrophobicContact CB-CD2 4.3Å; L479-Y495 HydrophobicContact CB-CE2 3.98Å; L479-L515 HydrophobicContact CD1-CD1 3.93Å; L479-V517 HydrophobicContact CD1-CG1 4.3Å; L479-V517 HydrophobicContact CD2-CB 4.36Å; L479-V517 HydrophobicContact CD2-CG1 3.7Å; L479-V517 HydrophobicContact CG-CG1 4.45Å; L479-Q521 HydrophobicContact CD2-CB 4.43Å; L479-V525 HydrophobicContact CD2-CG2 3.51Å; L479-V525 HydrophobicContact CG-CG2 3.96Å
480	G	90.7	Very high	93.2	Very high	23 Å²	23	36 Å²	36	24%	0.237	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	1	-175.2	0	0	0	0	0	115.6	G478 S492 Y495	G478-G480 PolarHBondContact O-N 2.73Å; G480-S492 CarbonylContact C-O 3.56Å; G480-S492 WeakPolarHBondContact CA-O 3.48Å; G480-Y495 VanDerWaalsContact CA-CB 3.46Å
481	K	91.2	Very high	93.1	Very high	103 Å²	103	42.2 Å²	42.2	45%	0.448	24%	0.24	S	C	.	.	S	Bend	trans	-118.2	138.7	177.5	-58.5	171.8	-175.1	163.1	0	109.7	S475 G478 L479 Q521 R524	S475-K481 PolarHBondContact O-NZ 2.86Å; S475-K481 WeakPolarHBondContact OG-CE 3.45Å; S475-K481 PolarHBondContact OG-NZ 2.95Å; S475-K481 VanDerWaalsContact OG-NZ 3.14Å; G478-K481 PolarHBondContact O-N 3.4Å; G478-K481 VanDerWaalsContact O-N 3.17Å; L479-K481 VanDerWaalsContact C-N 3.27Å; L479-K481 PolarHBondContact O-N 3.46Å; K481-Q521 PolarHBondContact O-NE2 3.01Å; K481-R524 PolarHBondContact O-NH2 2.67Å
482	A	88.3	Confident	92.9	Very high	34 Å²	34	43.9 Å²	43.9	28%	0.281	25%	0.253	S	S	.	.			trans	-53	148.3	168.6	0	0	0	0	0	110.2	N484 R524	A482-N484 VanDerWaalsContact C-N 3.28Å; A482-R524 PolarHBondContact O-NH1 3.42Å
483	T	93.1	Very high	92.7	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.031	24%	0.244	C	C	.	.			trans	-79.4	-18.5	173.1	72.4	0	0	0	0	111.7	L485 E490 L520 Q521 L538	T483-L485 PolarHBondContact O-N 3.44Å; T483-L485 PolarHBondContact OG1-N 3.11Å; T483-E490 WeakPolarHBondContact CA-OE1 3.44Å; T483-E490 WeakPolarHBondContact CB-OE1 3.38Å; T483-E490 WeakPolarHBondContact CG2-OE1 3.38Å; T483-E490 PolarHBondContact N-OE1 2.95Å; T483-E490 VanDerWaalsContact OG1-CD 3.26Å; T483-E490 PolarHBondContact OG1-OE1 3.46Å; T483-E490 PolarHBondContact OG1-OE2 3.33Å; T483-L520 HydrophobicContact CG2-CD2 4.07Å; T483-L520 HydrophobicContact CG2-CG 3.97Å; T483-L520 VanDerWaalsContact OG1-CD2 3.25Å; T483-L520 WeakPolarHBondContact OG1-CD2 3.45Å; T483-Q521 HydrophobicContact CG2-CG 3.98Å; T483-L538 HydrophobicContact CG2-CD1 4.16Å
484	N	89.5	Confident	92.4	Very high	133 Å²	133	46.3 Å²	46.3	71%	0.711	27%	0.27	S	S	*	.			trans	56.6	38.8	-175	-60.3	-28.2	0	0	0	111.3	A482 G486 E490	A482-N484 VanDerWaalsContact C-N 3.28Å; N484-G486 PolarHBondContact O-N 3.17Å; N484-E490 PolarHBondContact N-OE2 3.01Å
485	L	93.1	Very high	92	Very high	8 Å²	8	48.3 Å²	48.3	4%	0.042	28%	0.278	C	S	.	.			trans	-60.4	-16.8	-179.8	-174	66	0	0	0	112.3	V366 M369 T483 L487 E490 L520 L538 I540	V366-L485 HydrophobicContact CG2-CD1 3.77Å; V366-L485 HydrophobicContact CG2-CD2 4.41Å; M369-L485 HydrophobicContact CE-CD2 3.55Å; T483-L485 PolarHBondContact O-N 3.44Å; T483-L485 PolarHBondContact OG1-N 3.11Å; L485-L487 HydrophobicContact CD2-CD1 3.86Å; L485-L487 HydrophobicContact CD2-CG 4.25Å; L485-L487 HydrophobicContact CG-CG 4.46Å; L485-E490 PolarHBondContact N-OE2 2.87Å; L485-L520 HydrophobicContact CB-CD2 4.03Å; L485-L520 HydrophobicContact CD2-CD1 4.21Å; L485-L520 HydrophobicContact CD2-CD2 3.58Å; L485-L520 HydrophobicContact CG-CD2 4.35Å; L485-L538 HydrophobicContact CD1-CB 3.82Å; L485-I540 HydrophobicContact CD1-CB 3.9Å; L485-I540 HydrophobicContact CD2-CB 4.4Å; L485-I540 HydrophobicContact CG-CB 3.93Å; L485-I540 HydrophobicContact CG-CG2 4.41Å; L485-I540 VanDerWaalsContact O-CG2 3.29Å; L485-I540 WeakPolarHBondContact O-CG2 3.46Å
486	G	85.3	Confident	91.5	Very high	41 Å²	41	47.9 Å²	47.9	42%	0.423	27%	0.274	S	S	.	.	S	Bend	trans	87.9	17.4	-178.6	0	0	0	0	0	112.9	S289 N484	S289-G486 WeakPolarHBondContact CB-O 3.4Å; S289-G486 PolarHBondContact OG-O 3.29Å; N484-G486 PolarHBondContact O-N 3.17Å
487	L	92.8	Very high	90.9	Very high	12 Å²	12	53.6 Å²	53.6	6%	0.063	30%	0.304	C	S	.	.			trans	-102.2	132.4	173.1	-64.2	-177.9	0	0	0	111	L272 V286 S289 M369 I393 L485	L272-L487 HydrophobicContact CD1-CD1 4.12Å; V286-L487 HydrophobicContact CG2-CD2 3.64Å; S289-L487 WeakPolarHBondContact OG-CA 3.38Å; M369-L487 HydrophobicContact SD-CD1 4.33Å; I393-L487 HydrophobicContact CD1-CB 3.76Å; I393-L487 HydrophobicContact CD1-CD1 4.25Å; L485-L487 HydrophobicContact CD2-CD1 3.86Å; L485-L487 HydrophobicContact CD2-CG 4.25Å; L485-L487 HydrophobicContact CG-CG 4.46Å
488	V	90.8	Very high	90.2	Very high	89 Å²	89	56.8 Å²	56.8	54%	0.539	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	140.1	174	176	0	0	0	0	110.4	K288 S289	K288-V488 HydrophobicContact CG-CB 4.44Å; K288-V488 HydrophobicContact CG-CG2 4.04Å; S289-V488 PolarHBondContact OG-N 3.49Å
489	G	90.8	Very high	89.2	Confident	44 Å²	44	65 Å²	65	45%	0.454	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	0.5	177.7	0	0	0	0	0	115	R491	G489-R491 PolarHBondContact O-N 3.38Å
490	E	94	Very high	88.7	Confident	38 Å²	38	75.8 Å²	75.8	18%	0.178	40%	0.396	C	S	.	.			trans	-58.9	129.4	175.1	-174	-179.5	179.9	0	0	111.9	I393 T483 N484 L485	I393-E490 HydrophobicContact CB-CB 4.48Å; I393-E490 HydrophobicContact CB-CG 4.44Å; T483-E490 WeakPolarHBondContact CA-OE1 3.44Å; T483-E490 WeakPolarHBondContact CB-OE1 3.38Å; T483-E490 WeakPolarHBondContact CG2-OE1 3.38Å; T483-E490 PolarHBondContact N-OE1 2.95Å; T483-E490 VanDerWaalsContact OG1-CD 3.26Å; T483-E490 PolarHBondContact OG1-OE1 3.46Å; T483-E490 PolarHBondContact OG1-OE2 3.33Å; N484-E490 PolarHBondContact N-OE2 3.01Å; L485-E490 PolarHBondContact N-OE2 2.87Å
491	R	92.7	Very high	88.7	Confident	142 Å²	142	76.1 Å²	76.1	54%	0.536	39%	0.39	S	S	.	.			trans	-99	143.5	173.6	-63	-171.2	83.5	-173.8	1.5	111.6	I393 T394 V396 G489 G493 T518	I393-R491 PolarHBondContact O-N 3.34Å; T394-R491 WeakPolarHBondContact O-CD 3.41Å; V396-R491 HydrophobicContact CG1-CB 4.1Å; G489-R491 PolarHBondContact O-N 3.38Å; R491-G493 PolarHBondContact O-N 3.25Å; R491-T518 HydrophobicContact CB-CG2 4.27Å; R491-T518 WeakPolarHBondContact O-CG2 3.49Å
492	S	90.7	Very high	88.8	Confident	58 Å²	58	73.3 Å²	73.3	41%	0.406	38%	0.384	S	S	.	.			trans	-77.7	-1.9	176.8	56.5	0	0	0	0	114.7	G480 Q521	G480-S492 CarbonylContact C-O 3.56Å; G480-S492 WeakPolarHBondContact CA-O 3.48Å; S492-Q521 VanDerWaalsContact C-NE2 3.32Å; S492-Q521 PolarHBondContact O-NE2 3.39Å
493	G	90.5	Very high	89.1	Confident	19 Å²	19	75 Å²	75	20%	0.196	39%	0.388	C	S	.	.			trans	76.3	-174.8	-167.5	0	0	0	0	0	112.9	R491 M516	R491-G493 PolarHBondContact O-N 3.25Å; G493-M516 CarbonylContact C-O 3.5Å; G493-M516 WeakPolarHBondContact CA-O 3.46Å
494	L	90.2	Very high	89.2	Confident	104 Å²	104	76.2 Å²	76.2	55%	0.545	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-113.9	114	171.7	-178.1	70.3	0	0	0	107.9	L515 M516	L494-L515 CarbonylContact O-C 3.54Å; L494-L515 WeakPolarHBondContact O-CA 3.18Å; L494-M516 HydrophobicContact CB-CB 3.89Å; L494-M516 HydrophobicContact CB-CG 4.08Å; L494-M516 HydrophobicContact CB-SD 4.35Å; L494-M516 HydrophobicContact CD2-CG 4.44Å; L494-M516 HydrophobicContact CD2-SD 4.3Å; L494-M516 PolarHBondContact N-O 2.99Å; L494-M516 PolarHBondContact O-N 2.99Å
495	Y	89.6	Confident	89.4	Confident	43 Å²	43	73.2 Å²	73.2	17%	0.169	38%	0.376	C	S	.	.			trans	-122.7	129.9	-178.4	-158.3	-99.1	0	0	0	110.7	V471 Y474 L479 G480 Q497 F509 L515	V471-Y495 WeakPolarHBondContact CA-OH 3.48Å; V471-Y495 HydrophobicContact CG1-CE1 3.87Å; V471-Y495 PolarHBondContact O-OH 2.84Å; Y474-Y495 WeakPolarHBondContact CB-OH 3.46Å; L479-Y495 HydrophobicContact CB-CD2 4.3Å; L479-Y495 HydrophobicContact CB-CE2 3.98Å; G480-Y495 VanDerWaalsContact CA-CB 3.46Å; Y495-Q497 PolarHBondContact O-N 3.33Å; Y495-F509 HydrophobicContact CE2-CZ 4.35Å; Y495-L515 HydrophobicContact CD2-CB 4.42Å; Y495-L515 HydrophobicContact CD2-CD1 4.36Å; Y495-L515 HydrophobicContact CE2-CD1 4.09Å
496	P	84.7	Confident	89.5	Confident	26 Å²	26	74.6 Å²	74.6	17%	0.169	38%	0.38	C	S	.	.			trans	-68	124.4	-174.1	20.5	-26.5	0	0	0	111.8	K498 W501 F509	P496-K498 HydrophobicContact CB-CG 4.44Å; P496-K498 PolarHBondContact O-N 2.91Å; P496-W501 HydrophobicContact CB-CH2 3.88Å; P496-W501 HydrophobicContact CB-CZ2 3.82Å; P496-W501 HydrophobicContact CG-CH2 3.37Å; P496-W501 HydrophobicContact CG-CZ2 3.55Å; P496-F509 HydrophobicContact CG-CE2 3.94Å
497	Q	81.9	Confident	90.1	Very high	200 Å²	200	72.6 Å²	72.6	94%	0.935	36%	0.36	S	S	*	.			trans	-97.9	54	175.4	-64.3	-172.1	-6.5	0	0	111.6	Y495	Y495-Q497 PolarHBondContact O-N 3.33Å
498	K	82.9	Confident	90.2	Very high	68 Å²	68	74 Å²	74	30%	0.296	37%	0.37	S	S	.	.			trans	-125.5	142.8	-179	69.7	-177.9	-177.7	-179.4	0	112.2	P496 W501 E505	P496-K498 HydrophobicContact CB-CG 4.44Å; P496-K498 PolarHBondContact O-N 2.91Å; K498-W501 HydrophobicContact CD-CD2 4.47Å; K498-W501 VanDerWaalsContact CE-CE2 3.41Å; K498-W501 VanDerWaalsContact CE-CE3 3.42Å; K498-W501 HydrophobicContact CG-CD2 4.42Å; K498-W501 HydrophobicContact CG-CZ2 4.1Å; K498-W501 PolarHBondContact O-NE1 3.39Å; K498-W501 VanDerWaalsContact O-NE1 3.09Å; K498-E505 IonicContact NZ-OE1 2.77Å; K498-E505 PolarHBondContact NZ-OE1 2.69Å; K498-E505 IonicContact NZ-OE2 3.84Å; K498-E505 PolarHBondContact NZ-OE2 2.7Å; K498-E505 VanDerWaalsContact NZ-OE2 3.13Å
499	Q	75.9	Confident	90.4	Very high	172 Å²	172	70 Å²	70	80%	0.804	35%	0.345	S	S	*	.	S	Bend	trans	-88.2	-33.7	-179.9	-64.5	-64.6	-13.1	0	0	112.6
500	R	83.8	Confident	90.8	Very high	229 Å²	229	67.9 Å²	67.9	86%	0.864	32%	0.323	S	S	*	.			trans	-100.6	130.5	-179.9	-67.1	-175.1	179	179.3	0.1	110.5
501	W	90.5	Very high	90.9	Very high	30 Å²	30	67 Å²	67	11%	0.114	32%	0.319	C	S	.	.			trans	-126.9	124.4	179.7	-69.9	76.5	0	0	0	109	V471 P496 K498 E505 R506 F509	V471-W501 HydrophobicContact CG2-CZ2 3.68Å; P496-W501 HydrophobicContact CB-CH2 3.88Å; P496-W501 HydrophobicContact CB-CZ2 3.82Å; P496-W501 HydrophobicContact CG-CH2 3.37Å; P496-W501 HydrophobicContact CG-CZ2 3.55Å; K498-W501 HydrophobicContact CD-CD2 4.47Å; K498-W501 VanDerWaalsContact CE-CE2 3.41Å; K498-W501 VanDerWaalsContact CE-CE3 3.42Å; K498-W501 HydrophobicContact CG-CD2 4.42Å; K498-W501 HydrophobicContact CG-CZ2 4.1Å; K498-W501 PolarHBondContact O-NE1 3.39Å; K498-W501 VanDerWaalsContact O-NE1 3.09Å; W501-E505 HydrophobicContact CE3-CB 3.72Å; W501-E505 HydrophobicContact CZ3-CB 4.21Å; W501-R506 HydrophobicContact CB-CG 3.65Å; W501-F509 HydrophobicContact CH2-CB 4.35Å; W501-F509 HydrophobicContact CH2-CD1 4.21Å; W501-F509 AromaticContact CH2-CD2 3.58Å; W501-F509 HydrophobicContact CH2-CD2 3.58Å; W501-F509 HydrophobicContact CH2-CE1 4.36Å; W501-F509 AromaticContact CH2-CE2 3.75Å; W501-F509 HydrophobicContact CH2-CE2 3.75Å; W501-F509 AromaticContact CH2-CG 3.82Å; W501-F509 HydrophobicContact CH2-CG 3.82Å; W501-F509 HydrophobicContact CH2-CZ 4.12Å; W501-F509 HydrophobicContact CZ3-CB 3.81Å; W501-F509 HydrophobicContact CZ3-CD1 4.35Å; W501-F509 AromaticContact CZ3-CD2 3.88Å; W501-F509 HydrophobicContact CZ3-CD2 3.88Å; W501-F509 HydrophobicContact CZ3-CE2 4.48Å; W501-F509 AromaticContact CZ3-CG 3.78Å; W501-F509 HydrophobicContact CZ3-CG 3.78Å
502	S	93.2	Very high	91	Very high	44 Å²	44	60.2 Å²	60.2	31%	0.308	29%	0.293	S	S	.	.			trans	-70.2	157.8	168.9	63.4	0	0	0	0	110.7	I504 E505 R506	S502-I504 PolarHBondContact O-N 3.2Å; S502-I504 WeakPolarHBondContact OG-CG2 3.5Å; S502-E505 PolarHBondContact N-OE2 2.79Å; S502-E505 PolarHBondContact O-N 2.86Å; S502-E505 WeakPolarHBondContact OG-CG 3.42Å; S502-E505 PolarHBondContact OG-OE2 2.96Å; S502-R506 WeakPolarHBondContact O-CG 3.43Å; S502-R506 PolarHBondContact O-N 3.23Å
503	D	94.8	Very high	91.2	Very high	71 Å²	71	60.2 Å²	60.2	38%	0.38	29%	0.285	S	S	.	.	H	α-helix	trans	-60.7	-34.4	-178.2	-74.2	-16	0	0	0	113.2	I430 L463 R506 A507	I430-D503 HydrophobicContact CG2-CB 3.59Å; L463-D503 HydrophobicContact CD2-CB 3.65Å; D503-R506 PolarHBondContact O-N 3.43Å; D503-R506 IonicContact OD1-CZ 2.75Å; D503-R506 IonicContact OD1-NH1 4Å; D503-R506 PolarHBondContact OD1-NH1 3.28Å; D503-A507 WeakPolarHBondContact O-CB 3.46Å; D503-A507 PolarHBondContact O-N 3.19Å
504	I	95.4	Very high	91.2	Very high	30 Å²	30	61.5 Å²	61.5	15%	0.154	30%	0.298	C	S	.	.	H	α-helix	trans	-66	-40	175.2	-175.5	57.4	0	0	0	111.6	I430 N431 H433 I435 S502 A507 T508	I430-I504 HydrophobicContact CG2-CB 4.23Å; N431-I504 HydrophobicContact CB-CB 4.37Å; N431-I504 HydrophobicContact CB-CG2 4.36Å; H433-I504 HydrophobicContact CB-CD1 3.86Å; I435-I504 HydrophobicContact CD1-CD1 4Å; S502-I504 PolarHBondContact O-N 3.2Å; S502-I504 WeakPolarHBondContact OG-CG2 3.5Å; I504-A507 PolarHBondContact O-N 2.76Å; I504-T508 HydrophobicContact CD1-CG2 4.32Å; I504-T508 WeakPolarHBondContact O-CG2 3.32Å; I504-T508 PolarHBondContact O-N 3.23Å; I504-T508 PolarHBondContact O-OG1 2.95Å
505	E	94.2	Very high	91.4	Very high	69 Å²	69	56.6 Å²	56.6	32%	0.322	27%	0.272	S	S	.	.	H	α-helix	trans	-70.1	-37.1	176.9	-64.6	166.9	130.1	0	0	111.6	K498 W501 S502 A507 T508 F509	K498-E505 IonicContact NZ-OE1 2.77Å; K498-E505 PolarHBondContact NZ-OE1 2.69Å; K498-E505 IonicContact NZ-OE2 3.84Å; K498-E505 PolarHBondContact NZ-OE2 2.7Å; K498-E505 VanDerWaalsContact NZ-OE2 3.13Å; W501-E505 HydrophobicContact CE3-CB 3.72Å; W501-E505 HydrophobicContact CZ3-CB 4.21Å; S502-E505 PolarHBondContact N-OE2 2.79Å; S502-E505 PolarHBondContact O-N 2.86Å; S502-E505 WeakPolarHBondContact OG-CG 3.42Å; S502-E505 PolarHBondContact OG-OE2 2.96Å; E505-A507 VanDerWaalsContact C-N 3.32Å; E505-T508 WeakPolarHBondContact CA-OG1 3.23Å; E505-T508 PolarHBondContact O-N 3.01Å; E505-T508 PolarHBondContact O-OG1 3.05Å; E505-F509 WeakPolarHBondContact O-CB 3.28Å; E505-F509 PolarHBondContact O-N 2.82Å
506	R	95.4	Very high	91.6	Very high	37 Å²	37	57 Å²	57	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-61.5	-44	173.4	-67.6	168.5	64.5	-153.7	4.7	110.8	A462 L463 M465 W501 S502 D503 S510	A462-R506 PolarHBondContact O-NH2 3.5Å; L463-R506 VanDerWaalsContact C-NH2 3.25Å; L463-R506 VanDerWaalsContact CA-NH2 3.29Å; L463-R506 HydrophobicContact CD2-CB 4.24Å; L463-R506 PolarHBondContact O-NH2 2.94Å; M465-R506 PolarHBondContact O-NH2 3.37Å; W501-R506 HydrophobicContact CB-CG 3.65Å; S502-R506 WeakPolarHBondContact O-CG 3.43Å; S502-R506 PolarHBondContact O-N 3.23Å; D503-R506 PolarHBondContact O-N 3.43Å; D503-R506 IonicContact OD1-CZ 2.75Å; D503-R506 IonicContact OD1-NH1 4Å; D503-R506 PolarHBondContact OD1-NH1 3.28Å; R506-S510 PolarHBondContact O-N 2.78Å; R506-S510 VanDerWaalsContact O-N 3.15Å
507	A	96.9	Very high	92.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-52.7	176	0	0	0	0	0	110.9	I430 I435 D503 I504 E505 F509 S510 F511	I430-A507 HydrophobicContact CD1-CB 3.78Å; I435-A507 HydrophobicContact CD1-CB 4.15Å; I435-A507 HydrophobicContact CG1-CB 4.43Å; D503-A507 WeakPolarHBondContact O-CB 3.46Å; D503-A507 PolarHBondContact O-N 3.19Å; I504-A507 PolarHBondContact O-N 2.76Å; E505-A507 VanDerWaalsContact C-N 3.32Å; A507-F509 PolarHBondContact O-N 3.03Å; A507-S510 WeakPolarHBondContact O-CB 3.12Å; A507-S510 PolarHBondContact O-N 2.93Å; A507-S510 PolarHBondContact O-OG 3.38Å; A507-F511 WeakPolarHBondContact O-CD1 3.32Å; A507-F511 WeakPolarHBondContact O-CE1 3.15Å
508	T	95.4	Very high	92.9	Very high	42 Å²	42	46.2 Å²	46.2	26%	0.258	22%	0.224	S	C	.	.	H	α-helix	trans	-65.5	-37	-178.1	57.3	0	0	0	0	113.5	I504 E505 S510 F511 G512 Y513	I504-T508 HydrophobicContact CD1-CG2 4.32Å; I504-T508 WeakPolarHBondContact O-CG2 3.32Å; I504-T508 PolarHBondContact O-N 3.23Å; I504-T508 PolarHBondContact O-OG1 2.95Å; E505-T508 WeakPolarHBondContact CA-OG1 3.23Å; E505-T508 PolarHBondContact O-N 3.01Å; E505-T508 PolarHBondContact O-OG1 3.05Å; T508-S510 VanDerWaalsContact C-N 3.29Å; T508-S510 PolarHBondContact O-N 3.5Å; T508-F511 VanDerWaalsContact CA-CZ 3.43Å; T508-F511 HydrophobicContact CG2-CE2 4.05Å; T508-F511 HydrophobicContact CG2-CZ 3.77Å; T508-F511 CarbonylContact O-C 3.48Å; T508-F511 WeakPolarHBondContact O-CD2 3.12Å; T508-F511 PolarHBondContact O-N 2.73Å; T508-G512 PolarHBondContact O-N 3.33Å; T508-Y513 PolarHBondContact O-N 2.82Å
509	F	95.7	Very high	93.6	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-33.6	174.9	-168.2	-113.4	0	0	0	113.2	L470 V471 Y474 Y495 P496 W501 E505 A507 F511 G512 Y513 L515	L470-F509 HydrophobicContact CB-CD1 3.99Å; L470-F509 HydrophobicContact CB-CE1 3.9Å; L470-F509 HydrophobicContact CD1-CD1 4.4Å; V471-F509 HydrophobicContact CG2-CE1 3.83Å; V471-F509 HydrophobicContact CG2-CZ 4.17Å; Y474-F509 HydrophobicContact CD2-CD1 4.32Å; Y474-F509 AromaticContact CD2-CE1 3.46Å; Y474-F509 HydrophobicContact CD2-CE1 3.46Å; Y474-F509 VanDerWaalsContact CD2-CE1 3.46Å; Y474-F509 HydrophobicContact CD2-CE2 4Å; Y474-F509 AromaticContact CD2-CZ 3.29Å; Y474-F509 HydrophobicContact CD2-CZ 3.29Å; Y474-F509 AromaticContact CE2-CD1 3.79Å; Y474-F509 HydrophobicContact CE2-CD1 3.79Å; Y474-F509 HydrophobicContact CE2-CD2 4.35Å; Y474-F509 AromaticContact CE2-CE1 3.39Å; Y474-F509 HydrophobicContact CE2-CE1 3.39Å; Y474-F509 HydrophobicContact CE2-CE2 4.02Å; Y474-F509 HydrophobicContact CE2-CG 4.26Å; Y474-F509 AromaticContact CE2-CZ 3.54Å; Y474-F509 HydrophobicContact CE2-CZ 3.54Å; Y474-F509 HydrophobicContact CG-CE1 4.46Å; Y474-F509 HydrophobicContact CG-CZ 4.41Å; Y474-F509 PolarHBondContact OH-O 2.85Å; Y495-F509 HydrophobicContact CE2-CZ 4.35Å; P496-F509 HydrophobicContact CG-CE2 3.94Å; W501-F509 HydrophobicContact CH2-CB 4.35Å; W501-F509 HydrophobicContact CH2-CD1 4.21Å; W501-F509 AromaticContact CH2-CD2 3.58Å; W501-F509 HydrophobicContact CH2-CD2 3.58Å; W501-F509 HydrophobicContact CH2-CE1 4.36Å; W501-F509 AromaticContact CH2-CE2 3.75Å; W501-F509 HydrophobicContact CH2-CE2 3.75Å; W501-F509 AromaticContact CH2-CG 3.82Å; W501-F509 HydrophobicContact CH2-CG 3.82Å; W501-F509 HydrophobicContact CH2-CZ 4.12Å; W501-F509 HydrophobicContact CZ3-CB 3.81Å; W501-F509 HydrophobicContact CZ3-CD1 4.35Å; W501-F509 AromaticContact CZ3-CD2 3.88Å; W501-F509 HydrophobicContact CZ3-CD2 3.88Å; W501-F509 HydrophobicContact CZ3-CE2 4.48Å; W501-F509 AromaticContact CZ3-CG 3.78Å; W501-F509 HydrophobicContact CZ3-CG 3.78Å; E505-F509 WeakPolarHBondContact O-CB 3.28Å; E505-F509 PolarHBondContact O-N 2.82Å; A507-F509 PolarHBondContact O-N 3.03Å; F509-F511 VanDerWaalsContact C-N 3.26Å; F509-F511 PolarHBondContact O-N 3.35Å; F509-G512 PolarHBondContact O-N 3.4Å; F509-Y513 WeakPolarHBondContact CA-O 3.24Å; F509-L515 HydrophobicContact CD2-CD2 4.24Å; F509-L515 HydrophobicContact CE2-CB 4.11Å; F509-L515 HydrophobicContact CE2-CD1 4.01Å; F509-L515 HydrophobicContact CE2-CD2 4.23Å; F509-L515 HydrophobicContact CE2-CG 4.34Å; F509-L515 HydrophobicContact CZ-CD1 4.48Å
510	S	97.6	Very high	94.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.9	-25.5	177.8	79.6	0	0	0	0	114	V407 S459 A462 R506 A507 T508	V407-S510 VanDerWaalsContact CG2-O 3.28Å; V407-S510 WeakPolarHBondContact CG2-O 3.25Å; S459-S510 WeakPolarHBondContact CA-OG 3.48Å; S459-S510 PolarHBondContact N-OG 2.92Å; A462-S510 VanDerWaalsContact CB-CB 3.49Å; R506-S510 PolarHBondContact O-N 2.78Å; R506-S510 VanDerWaalsContact O-N 3.15Å; A507-S510 WeakPolarHBondContact O-CB 3.12Å; A507-S510 PolarHBondContact O-N 2.93Å; A507-S510 PolarHBondContact O-OG 3.38Å; T508-S510 VanDerWaalsContact C-N 3.29Å; T508-S510 PolarHBondContact O-N 3.5Å
511	F	96.6	Very high	95.3	Very high	19 Å²	19	24.1 Å²	24.1	8%	0.083	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	22.2	174.7	51.6	-105.6	0	0	0	112.8	G400 K404 I435 N455 V458 A507 T508 F509 Y513	G400-F511 CarbonylContact C-O 3.51Å; G400-F511 WeakPolarHBondContact CA-O 3.26Å; G400-F511 CarbonylContact O-C 3.5Å; G400-F511 VanDerWaalsContact O-O 3.13Å; K404-F511 VanDerWaalsContact CE-CB 3.5Å; I435-F511 HydrophobicContact CD1-CE1 4.43Å; I435-F511 HydrophobicContact CD1-CZ 4.39Å; I435-F511 HydrophobicContact CG2-CE1 4.32Å; N455-F511 HydrophobicContact CB-CD1 3.9Å; N455-F511 HydrophobicContact CB-CE1 4.19Å; N455-F511 HydrophobicContact CB-CG 4.34Å; N455-F511 WeakPolarHBondContact OD1-CB 3.4Å; V458-F511 HydrophobicContact CG2-CB 4.01Å; V458-F511 HydrophobicContact CG2-CD1 4.33Å; A507-F511 WeakPolarHBondContact O-CD1 3.32Å; A507-F511 WeakPolarHBondContact O-CE1 3.15Å; T508-F511 VanDerWaalsContact CA-CZ 3.43Å; T508-F511 HydrophobicContact CG2-CE2 4.05Å; T508-F511 HydrophobicContact CG2-CZ 3.77Å; T508-F511 CarbonylContact O-C 3.48Å; T508-F511 WeakPolarHBondContact O-CD2 3.12Å; T508-F511 PolarHBondContact O-N 2.73Å; F509-F511 VanDerWaalsContact C-N 3.26Å; F509-F511 PolarHBondContact O-N 3.35Å; F511-Y513 AromaticContact CD2-CD2 3.62Å; F511-Y513 HydrophobicContact CD2-CD2 3.62Å; F511-Y513 HydrophobicContact CD2-CE2 4.08Å; F511-Y513 HydrophobicContact CD2-CG 4.48Å; F511-Y513 AromaticContact CE2-CD2 3.91Å; F511-Y513 HydrophobicContact CE2-CD2 3.91Å; F511-Y513 HydrophobicContact CE2-CE2 4.38Å; F511-Y513 HydrophobicContact CE2-CG 4.43Å
512	G	95.7	Very high	95.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	24.7	161.2	0	0	0	0	0	116.4	P399 G400 T508 F509 L515	P399-G512 WeakPolarHBondContact CD-O 3.35Å; G400-G512 PolarHBondContact N-O 3.39Å; G400-G512 VanDerWaalsContact N-O 3.14Å; G400-G512 WeakPolarHBondContact O-CA 3.43Å; T508-G512 PolarHBondContact O-N 3.33Å; F509-G512 PolarHBondContact O-N 3.4Å; G512-L515 VanDerWaalsContact C-CD2 3.49Å; G512-L515 WeakPolarHBondContact O-CD2 3.45Å
513	Y	93.7	Very high	95.9	Very high	57 Å²	57	20.6 Å²	20.6	22%	0.224	11%	0.112	C	C	.	.			trans	-104.2	151.8	173.5	-76.7	-110.9	0	0	0	110.7	E398 T508 F509 F511 Y601	E398-Y513 WeakPolarHBondContact OE1-CA 3.44Å; E398-Y513 WeakPolarHBondContact OE2-CD1 3.14Å; E398-Y513 WeakPolarHBondContact OE2-CE1 3.4Å; T508-Y513 PolarHBondContact O-N 2.82Å; F509-Y513 WeakPolarHBondContact CA-O 3.24Å; F511-Y513 AromaticContact CD2-CD2 3.62Å; F511-Y513 HydrophobicContact CD2-CD2 3.62Å; F511-Y513 HydrophobicContact CD2-CE2 4.08Å; F511-Y513 HydrophobicContact CD2-CG 4.48Å; F511-Y513 AromaticContact CE2-CD2 3.91Å; F511-Y513 HydrophobicContact CE2-CD2 3.91Å; F511-Y513 HydrophobicContact CE2-CE2 4.38Å; F511-Y513 HydrophobicContact CE2-CG 4.43Å; Y513-Y601 HydrophobicContact CD1-CE1 4.45Å; Y513-Y601 WeakPolarHBondContact CD1-OH 3.32Å; Y513-Y601 HydrophobicContact CE1-CE1 4.11Å
514	G	91.2	Very high	96	Very high	47 Å²	47	17.3 Å²	17.3	49%	0.485	9%	0.094	S	C	.	.	S	Bend	trans	81.6	13.7	-178.1	0	0	0	0	0	114.7	E398	E398-G514 PolarHBondContact OE1-N 3.26Å
515	L	93.6	Very high	96.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.			trans	-142.9	150.9	166	76	175.7	0	0	0	109.3	E398 P399 Y474 L479 L494 Y495 F509 G512	E398-L515 WeakPolarHBondContact CA-O 3.35Å; P399-L515 WeakPolarHBondContact CD-O 3.42Å; P399-L515 HydrophobicContact CG-CD1 4.25Å; P399-L515 HydrophobicContact CG-CD2 3.74Å; P399-L515 HydrophobicContact CG-CG 3.9Å; Y474-L515 HydrophobicContact CD2-CD1 3.81Å; Y474-L515 HydrophobicContact CE2-CD1 4.15Å; L479-L515 HydrophobicContact CD1-CD1 3.93Å; L494-L515 CarbonylContact O-C 3.54Å; L494-L515 WeakPolarHBondContact O-CA 3.18Å; Y495-L515 HydrophobicContact CD2-CB 4.42Å; Y495-L515 HydrophobicContact CD2-CD1 4.36Å; Y495-L515 HydrophobicContact CE2-CD1 4.09Å; F509-L515 HydrophobicContact CD2-CD2 4.24Å; F509-L515 HydrophobicContact CE2-CB 4.11Å; F509-L515 HydrophobicContact CE2-CD1 4.01Å; F509-L515 HydrophobicContact CE2-CD2 4.23Å; F509-L515 HydrophobicContact CE2-CG 4.34Å; F509-L515 HydrophobicContact CZ-CD1 4.48Å; G512-L515 VanDerWaalsContact C-CD2 3.49Å; G512-L515 WeakPolarHBondContact O-CD2 3.45Å
516	M	94.8	Very high	96.4	Very high	51 Å²	51	12.6 Å²	12.6	25%	0.251	7%	0.072	S	C	.	.	B	Isolated β-bridge	trans	-123.9	138.4	174.4	-55	-178.2	170.7	0	0	110.4	V396 F397 E398 G493 L494	V396-M516 HydrophobicContact CB-CB 3.94Å; V396-M516 HydrophobicContact CG2-CB 4.19Å; V396-M516 HydrophobicContact CG2-SD 4.05Å; F397-M516 CarbonylContact O-C 3.48Å; F397-M516 VanDerWaalsContact O-CA 3.27Å; F397-M516 WeakPolarHBondContact O-CA 3.44Å; E398-M516 HydrophobicContact CG-CG 4.47Å; G493-M516 CarbonylContact C-O 3.5Å; G493-M516 WeakPolarHBondContact CA-O 3.46Å; L494-M516 HydrophobicContact CB-CB 3.89Å; L494-M516 HydrophobicContact CB-CG 4.08Å; L494-M516 HydrophobicContact CB-SD 4.35Å; L494-M516 HydrophobicContact CD2-CG 4.44Å; L494-M516 HydrophobicContact CD2-SD 4.3Å; L494-M516 PolarHBondContact N-O 2.99Å; L494-M516 PolarHBondContact O-N 2.99Å
517	V	96.3	Very high	96.5	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.006	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-131.9	156	-176.8	-51.8	0	0	0	0	110.3	V396 F397 P399 L479 Q521 L522	V396-V517 WeakPolarHBondContact CA-O 3.21Å; F397-V517 VanDerWaalsContact CD1-O 3.24Å; F397-V517 WeakPolarHBondContact CD1-O 3.46Å; F397-V517 HydrophobicContact CE1-CG2 4.36Å; F397-V517 HydrophobicContact CZ-CG2 4.23Å; F397-V517 PolarHBondContact N-O 2.63Å; F397-V517 PolarHBondContact O-N 2.77Å; P399-V517 HydrophobicContact CB-CG2 3.79Å; P399-V517 HydrophobicContact CG-CG1 4.19Å; P399-V517 HydrophobicContact CG-CG2 4.22Å; L479-V517 HydrophobicContact CD1-CG1 4.3Å; L479-V517 HydrophobicContact CD2-CB 4.36Å; L479-V517 HydrophobicContact CD2-CG1 3.7Å; L479-V517 HydrophobicContact CG-CG1 4.45Å; V517-Q521 VanDerWaalsContact CA-OE1 3.3Å; V517-Q521 HydrophobicContact CB-CB 4.36Å; V517-L522 HydrophobicContact CG2-CB 4.47Å
518	T	96.5	Very high	96.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.069	C	C	.	.			trans	-84.2	156.8	168.5	67	0	0	0	0	111	I393 D395 V396 R491 L520 Q521 L522	I393-T518 WeakPolarHBondContact O-CG2 3.39Å; D395-T518 WeakPolarHBondContact O-CA 3.49Å; V396-T518 HydrophobicContact CG1-CG2 3.82Å; R491-T518 HydrophobicContact CB-CG2 4.27Å; R491-T518 WeakPolarHBondContact O-CG2 3.49Å; T518-L520 PolarHBondContact O-N 3.17Å; T518-Q521 PolarHBondContact O-N 2.93Å; T518-Q521 VanDerWaalsContact O-N 3.14Å; T518-Q521 WeakPolarHBondContact OG1-CG 3.44Å; T518-Q521 PolarHBondContact OG1-N 3.27Å; T518-Q521 VanDerWaalsContact OG1-N 3.12Å; T518-L522 PolarHBondContact O-N 3.45Å; T518-L522 VanDerWaalsContact O-N 3.08Å
519	P	97.5	Very high	96.8	Very high	4 Å²	4	9.4 Å²	9.4	3%	0.026	6%	0.057	C	C	.	.	H	α-helix	trans	-54	-37.4	171.7	-26.8	33.9	0	0	0	112.8	V357 T392 D395 F397 L522 A523 V625	V357-P519 HydrophobicContact CG2-CB 4.39Å; T392-P519 WeakPolarHBondContact O-CD 3.41Å; D395-P519 WeakPolarHBondContact O-CD 3.34Å; F397-P519 HydrophobicContact CE1-CG 3.87Å; P519-L522 PolarHBondContact O-N 3.31Å; P519-A523 PolarHBondContact O-N 3.3Å; P519-V625 HydrophobicContact CB-CG2 4.13Å; P519-V625 HydrophobicContact CG-CG2 4.08Å
520	L	97.9	Very high	96.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64	-43.6	176.2	-176.5	65	0	0	0	112.8	V357 V366 M369 T392 I393 T483 L485 T518 L522 A523 R524 L538	V357-L520 HydrophobicContact CG1-CD1 3.84Å; V366-L520 HydrophobicContact CG2-CD1 4.31Å; M369-L520 HydrophobicContact CE-CD1 3.79Å; M369-L520 HydrophobicContact CE-CD2 4.35Å; T392-L520 VanDerWaalsContact O-CB 3.29Å; T392-L520 WeakPolarHBondContact O-CB 3.37Å; T392-L520 PolarHBondContact O-N 2.82Å; I393-L520 HydrophobicContact CG2-CB 4.23Å; I393-L520 HydrophobicContact CG2-CD2 3.56Å; I393-L520 HydrophobicContact CG2-CG 4.47Å; T483-L520 HydrophobicContact CG2-CD2 4.07Å; T483-L520 HydrophobicContact CG2-CG 3.97Å; T483-L520 VanDerWaalsContact OG1-CD2 3.25Å; T483-L520 WeakPolarHBondContact OG1-CD2 3.45Å; L485-L520 HydrophobicContact CB-CD2 4.03Å; L485-L520 HydrophobicContact CD2-CD1 4.21Å; L485-L520 HydrophobicContact CD2-CD2 3.58Å; L485-L520 HydrophobicContact CG-CD2 4.35Å; T518-L520 PolarHBondContact O-N 3.17Å; L520-L522 VanDerWaalsContact C-N 3.3Å; L520-L522 PolarHBondContact O-N 2.89Å; L520-A523 WeakPolarHBondContact O-CB 3.47Å; L520-A523 PolarHBondContact O-N 3.32Å; L520-A523 VanDerWaalsContact O-N 3.17Å; L520-R524 PolarHBondContact O-N 3.3Å; L520-L538 HydrophobicContact CD1-CD1 3.37Å; L520-L538 HydrophobicContact CD2-CD1 4.46Å; L520-L538 HydrophobicContact CG-CD1 3.75Å
521	Q	97.6	Very high	96.9	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.3	-41.3	174.8	-75.2	179.8	-43	0	0	111.4	L479 K481 T483 S492 V517 T518 A523 R524 V525	L479-Q521 HydrophobicContact CD2-CB 4.43Å; K481-Q521 PolarHBondContact O-NE2 3.01Å; T483-Q521 HydrophobicContact CG2-CG 3.98Å; S492-Q521 VanDerWaalsContact C-NE2 3.32Å; S492-Q521 PolarHBondContact O-NE2 3.39Å; V517-Q521 VanDerWaalsContact CA-OE1 3.3Å; V517-Q521 HydrophobicContact CB-CB 4.36Å; T518-Q521 PolarHBondContact O-N 2.93Å; T518-Q521 VanDerWaalsContact O-N 3.14Å; T518-Q521 WeakPolarHBondContact OG1-CG 3.44Å; T518-Q521 PolarHBondContact OG1-N 3.27Å; T518-Q521 VanDerWaalsContact OG1-N 3.12Å; Q521-A523 VanDerWaalsContact C-N 3.31Å; Q521-A523 PolarHBondContact O-N 2.93Å; Q521-R524 WeakPolarHBondContact O-CB 3.44Å; Q521-R524 PolarHBondContact O-N 2.98Å; Q521-V525 WeakPolarHBondContact O-CG2 3.27Å; Q521-V525 PolarHBondContact O-N 3.2Å; Q521-V525 VanDerWaalsContact O-N 3.1Å
522	L	97.9	Very high	97	Very high	1 Å²	1	10 Å²	10	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-64.8	-37	176	-172.5	59.4	0	0	0	111.5	F397 T402 V517 T518 P519 L520 R524 V525 Y526 A610 V623	F397-L522 HydrophobicContact CZ-CD2 4.1Å; T402-L522 HydrophobicContact CG2-CD2 4.31Å; V517-L522 HydrophobicContact CG2-CB 4.47Å; T518-L522 PolarHBondContact O-N 3.45Å; T518-L522 VanDerWaalsContact O-N 3.08Å; P519-L522 PolarHBondContact O-N 3.31Å; L520-L522 VanDerWaalsContact C-N 3.3Å; L520-L522 PolarHBondContact O-N 2.89Å; L522-R524 VanDerWaalsContact C-N 3.34Å; L522-R524 PolarHBondContact O-N 3.41Å; L522-V525 WeakPolarHBondContact O-CB 3.32Å; L522-V525 PolarHBondContact O-N 3.02Å; L522-Y526 HydrophobicContact CD1-CD2 4.01Å; L522-Y526 HydrophobicContact CD1-CE2 3.81Å; L522-Y526 HydrophobicContact CG-CD2 4.35Å; L522-Y526 HydrophobicContact CG-CE2 4.43Å; L522-Y526 WeakPolarHBondContact O-CD2 3.45Å; L522-Y526 PolarHBondContact O-N 3.03Å; L522-Y526 VanDerWaalsContact O-N 3.11Å; L522-A610 HydrophobicContact CD2-CB 4.21Å; L522-A610 HydrophobicContact CG-CB 4.26Å; L522-V623 HydrophobicContact CB-CG1 4.44Å; L522-V623 HydrophobicContact CB-CG2 4.19Å; L522-V623 HydrophobicContact CD2-CG1 3.96Å; L522-V623 HydrophobicContact CD2-CG2 4.32Å; L522-V623 HydrophobicContact CG-CG1 4.34Å; L522-V623 HydrophobicContact CG-CG2 3.91Å
523	A	98.5	Very high	97.1	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.4	-40.1	175.5	0	0	0	0	0	111.7	V357 V359 P519 L520 Q521 V525 Y526 A527 V623	V357-A523 HydrophobicContact CB-CB 3.9Å; V357-A523 HydrophobicContact CG1-CB 3.76Å; V359-A523 HydrophobicContact CG2-CB 4Å; P519-A523 PolarHBondContact O-N 3.3Å; L520-A523 WeakPolarHBondContact O-CB 3.47Å; L520-A523 PolarHBondContact O-N 3.32Å; L520-A523 VanDerWaalsContact O-N 3.17Å; Q521-A523 VanDerWaalsContact C-N 3.31Å; Q521-A523 PolarHBondContact O-N 2.93Å; A523-V525 PolarHBondContact O-N 3.2Å; A523-Y526 PolarHBondContact O-N 3.07Å; A523-A527 WeakPolarHBondContact O-CB 3.24Å; A523-A527 PolarHBondContact O-N 3.15Å; A523-V623 HydrophobicContact CB-CB 4.31Å; A523-V623 HydrophobicContact CB-CG2 3.91Å
524	R	97.8	Very high	97.4	Very high	2 Å²	2	9 Å²	9	1%	0.008	6%	0.059	C	C	.	.	H	α-helix	trans	-60.7	-41.4	172.2	-175.7	176.2	57.1	-178.5	-20.2	112.8	G478 K481 A482 L520 Q521 L522 Y526 A527 T528 Y535 L538	G478-R524 PolarHBondContact O-NH2 3.49Å; K481-R524 PolarHBondContact O-NH2 2.67Å; A482-R524 PolarHBondContact O-NH1 3.42Å; L520-R524 PolarHBondContact O-N 3.3Å; Q521-R524 WeakPolarHBondContact O-CB 3.44Å; Q521-R524 PolarHBondContact O-N 2.98Å; L522-R524 VanDerWaalsContact C-N 3.34Å; L522-R524 PolarHBondContact O-N 3.41Å; R524-Y526 VanDerWaalsContact C-N 3.33Å; R524-Y526 PolarHBondContact O-N 3.27Å; R524-A527 PolarHBondContact O-N 3.09Å; R524-T528 PolarHBondContact O-N 3.14Å; R524-T528 PolarHBondContact O-OG1 2.92Å; R524-Y535 HydrophobicContact CG-CE2 4.04Å; R524-Y535 PolarHBondContact NH1-OH 3.24Å; R524-L538 HydrophobicContact CB-CD1 3.98Å; R524-L538 HydrophobicContact CB-CD2 4.27Å; R524-L538 HydrophobicContact CB-CG 4.15Å; R524-L538 HydrophobicContact CG-CD2 4.39Å; R524-L538 HydrophobicContact CG-CG 4.28Å
525	V	98.5	Very high	97.7	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-57.3	-50.4	175.4	172.2	0	0	0	0	109.6	M406 F477 L479 Q521 L522 A523 T528 I529	M406-V525 HydrophobicContact CE-CG1 3.87Å; M406-V525 HydrophobicContact SD-CG1 3.8Å; F477-V525 HydrophobicContact CB-CG2 4.22Å; F477-V525 HydrophobicContact CD1-CG1 4.09Å; L479-V525 HydrophobicContact CD2-CG2 3.51Å; L479-V525 HydrophobicContact CG-CG2 3.96Å; Q521-V525 WeakPolarHBondContact O-CG2 3.27Å; Q521-V525 PolarHBondContact O-N 3.2Å; Q521-V525 VanDerWaalsContact O-N 3.1Å; L522-V525 WeakPolarHBondContact O-CB 3.32Å; L522-V525 PolarHBondContact O-N 3.02Å; A523-V525 PolarHBondContact O-N 3.2Å; V525-T528 WeakPolarHBondContact O-CB 3.4Å; V525-T528 PolarHBondContact O-N 2.91Å; V525-T528 VanDerWaalsContact O-N 3.17Å; V525-I529 HydrophobicContact CG1-CD1 4.05Å; V525-I529 WeakPolarHBondContact O-CG1 3.27Å; V525-I529 PolarHBondContact O-N 2.98Å
526	Y	98.8	Very high	97.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-72.5	-28.8	-178	-82.5	-102.9	0	0	0	113.3	T402 L522 A523 R524 T528 I529 G530 M565 K588 A610 G611 V612	T402-Y526 PolarHBondContact O-OH 2.98Å; L522-Y526 HydrophobicContact CD1-CD2 4.01Å; L522-Y526 HydrophobicContact CD1-CE2 3.81Å; L522-Y526 HydrophobicContact CG-CD2 4.35Å; L522-Y526 HydrophobicContact CG-CE2 4.43Å; L522-Y526 WeakPolarHBondContact O-CD2 3.45Å; L522-Y526 PolarHBondContact O-N 3.03Å; L522-Y526 VanDerWaalsContact O-N 3.11Å; A523-Y526 PolarHBondContact O-N 3.07Å; R524-Y526 VanDerWaalsContact C-N 3.33Å; R524-Y526 PolarHBondContact O-N 3.27Å; Y526-T528 VanDerWaalsContact C-N 3.33Å; Y526-I529 PolarHBondContact O-N 3.36Å; Y526-G530 PolarHBondContact O-N 3.11Å; Y526-M565 HydrophobicContact CD1-CE 4.26Å; Y526-M565 HydrophobicContact CE1-CE 3.53Å; Y526-K588 HydrophobicContact CE1-CB 4.48Å; Y526-K588 WeakPolarHBondContact OH-CB 3.25Å; Y526-A610 HydrophobicContact CD1-CB 3.93Å; Y526-A610 HydrophobicContact CD2-CB 3.55Å; Y526-A610 HydrophobicContact CE1-CB 3.72Å; Y526-A610 VanDerWaalsContact CE1-O 3.23Å; Y526-A610 WeakPolarHBondContact CE1-O 3.48Å; Y526-A610 HydrophobicContact CE2-CB 3.39Å; Y526-A610 HydrophobicContact CG-CB 3.83Å; Y526-A610 VanDerWaalsContact CZ-CB 3.49Å; Y526-G611 VanDerWaalsContact CD1-CA 3.43Å; Y526-G611 VanDerWaalsContact CD1-N 3.27Å; Y526-V612 WeakPolarHBondContact O-CG1 3.29Å
527	A	98.6	Very high	97.8	Very high	9 Å²	9	11.7 Å²	11.7	7%	0.074	6%	0.061	C	C	.	.	H	α-helix	trans	-63.2	-41.1	168.1	0	0	0	0	0	111.4	V359 A523 R524 G530 S531 A621	V359-A527 HydrophobicContact CB-CB 4.42Å; V359-A527 HydrophobicContact CG1-CB 3.95Å; A523-A527 WeakPolarHBondContact O-CB 3.24Å; A523-A527 PolarHBondContact O-N 3.15Å; R524-A527 PolarHBondContact O-N 3.09Å; A527-G530 PolarHBondContact O-N 3.05Å; A527-S531 WeakPolarHBondContact O-CB 3.34Å; A527-S531 PolarHBondContact O-N 2.92Å; A527-A621 HydrophobicContact CB-CB 4Å
528	T	98.6	Very high	97.8	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.006	6%	0.063	C	C	.	.	H	α-helix	trans	-65.6	-41	175.5	-54.7	0	0	0	0	111.6	F477 R524 V525 Y526 S531 Y532 G533 V552	F477-T528 HydrophobicContact CD1-CG2 3.69Å; F477-T528 HydrophobicContact CE1-CG2 3.64Å; F477-T528 HydrophobicContact CZ-CG2 4.46Å; R524-T528 PolarHBondContact O-N 3.14Å; R524-T528 PolarHBondContact O-OG1 2.92Å; V525-T528 WeakPolarHBondContact O-CB 3.4Å; V525-T528 PolarHBondContact O-N 2.91Å; V525-T528 VanDerWaalsContact O-N 3.17Å; Y526-T528 VanDerWaalsContact C-N 3.33Å; T528-S531 PolarHBondContact O-N 3.03Å; T528-Y532 PolarHBondContact O-N 3.24Å; T528-G533 PolarHBondContact O-N 2.81Å; T528-V552 HydrophobicContact CG2-CG2 3.69Å
529	I	98.8	Very high	97.8	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-62.4	-46.6	173.2	-66.2	176.6	0	0	0	110.5	P405 M409 F477 V525 Y526 S531 Y532 V558 V562	P405-I529 HydrophobicContact CB-CD1 4.33Å; M409-I529 HydrophobicContact CE-CD1 4Å; M409-I529 HydrophobicContact CE-CG1 3.91Å; M409-I529 HydrophobicContact CE-CG2 4.01Å; F477-I529 HydrophobicContact CD1-CG1 4.36Å; F477-I529 HydrophobicContact CE1-CG1 3.71Å; V525-I529 HydrophobicContact CG1-CD1 4.05Å; V525-I529 WeakPolarHBondContact O-CG1 3.27Å; V525-I529 PolarHBondContact O-N 2.98Å; Y526-I529 PolarHBondContact O-N 3.36Å; I529-S531 VanDerWaalsContact C-N 3.25Å; I529-S531 PolarHBondContact O-N 3.39Å; I529-Y532 PolarHBondContact O-N 3.39Å; I529-V558 HydrophobicContact CG2-CG1 4.18Å; I529-V558 VanDerWaalsContact O-CG1 3.27Å; I529-V558 WeakPolarHBondContact O-CG1 3.41Å; I529-V562 HydrophobicContact CG2-CG2 3.58Å
530	G	98.5	Very high	97.8	Very high	2 Å²	2	13 Å²	13	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-60.3	-35.8	177.2	0	0	0	0	0	112.6	Y526 A527 Y532 P618	Y526-G530 PolarHBondContact O-N 3.11Å; A527-G530 PolarHBondContact O-N 3.05Å; G530-Y532 PolarHBondContact O-N 3.08Å; G530-P618 WeakPolarHBondContact O-CB 3.43Å; G530-P618 WeakPolarHBondContact O-CG 3.36Å
531	S	98.2	Very high	97.8	Very high	12 Å²	12	14.8 Å²	14.8	8%	0.084	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	17.7	177.2	-167.5	0	0	0	0	112.6	V361 A527 T528 I529 G533 I534 R536	V361-S531 VanDerWaalsContact CG1-CA 3.48Å; A527-S531 WeakPolarHBondContact O-CB 3.34Å; A527-S531 PolarHBondContact O-N 2.92Å; T528-S531 PolarHBondContact O-N 3.03Å; I529-S531 VanDerWaalsContact C-N 3.25Å; I529-S531 PolarHBondContact O-N 3.39Å; S531-G533 VanDerWaalsContact C-N 3.3Å; S531-G533 PolarHBondContact O-N 3Å; S531-I534 PolarHBondContact O-N 2.89Å; S531-I534 WeakPolarHBondContact OG-CB 3.5Å; S531-R536 PolarHBondContact OG-NH1 3.1Å
532	Y	98.5	Very high	97.7	Very high	22 Å²	22	19.9 Å²	19.9	9%	0.086	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	45.6	-178.9	-54.3	-58.1	0	0	0	114.2	T528 I529 G530 R551 V558 R559 V562 A615 S616 P618	T528-Y532 PolarHBondContact O-N 3.24Å; I529-Y532 PolarHBondContact O-N 3.39Å; G530-Y532 PolarHBondContact O-N 3.08Å; Y532-R551 PolarHBondContact O-NH1 2.95Å; Y532-V558 HydrophobicContact CD1-CG1 4.33Å; Y532-R559 HydrophobicContact CD1-CB 4.37Å; Y532-R559 HydrophobicContact CD1-CG 3.45Å; Y532-R559 VanDerWaalsContact CD1-CG 3.45Å; Y532-R559 HydrophobicContact CD2-CG 4.35Å; Y532-R559 VanDerWaalsContact CD2-CZ 3.48Å; Y532-R559 HydrophobicContact CE1-CB 4.42Å; Y532-R559 HydrophobicContact CE1-CG 3.61Å; Y532-R559 HydrophobicContact CE2-CG 4.47Å; Y532-R559 HydrophobicContact CG-CG 3.84Å; Y532-R559 PolarHBondContact OH-NH1 2.93Å; Y532-V562 HydrophobicContact CD1-CG2 4.4Å; Y532-V562 HydrophobicContact CE1-CB 4.34Å; Y532-V562 HydrophobicContact CE1-CG1 4.35Å; Y532-V562 HydrophobicContact CE1-CG2 4.19Å; Y532-A615 PolarHBondContact OH-O 3.48Å; Y532-S616 PolarHBondContact OH-O 2.99Å; Y532-P618 HydrophobicContact CE1-CG 4.38Å; Y532-P618 WeakPolarHBondContact OH-CD 3.47Å
533	G	98.2	Very high	97.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	11.5	173.6	0	0	0	0	0	114.9	T528 S531 R551 V552 F553	T528-G533 PolarHBondContact O-N 2.81Å; S531-G533 VanDerWaalsContact C-N 3.3Å; S531-G533 PolarHBondContact O-N 3Å; G533-R551 CarbonylContact O-C 3.53Å; G533-V552 WeakPolarHBondContact O-CG2 3.5Å; G533-V552 PolarHBondContact O-N 3.07Å; G533-F553 PolarHBondContact O-N 2.98Å
534	I	98.4	Very high	97.1	Very high	36 Å²	36	28.5 Å²	28.5	19%	0.185	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.1	170.2	-55.5	172.8	0	0	0	108.8	S531 R536 E550	S531-I534 PolarHBondContact O-N 2.89Å; S531-I534 WeakPolarHBondContact OG-CB 3.5Å; I534-R536 HydrophobicContact CG2-CG 4.47Å; I534-E550 CarbonylContact C-O 3.48Å; I534-E550 WeakPolarHBondContact CA-O 3.38Å
535	Y	97.8	Very high	96.7	Very high	49 Å²	49	33 Å²	33	19%	0.192	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	132.6	173.7	177.7	-83.1	0	0	0	109.8	R524 G549 E550 V552	R524-Y535 HydrophobicContact CG-CE2 4.04Å; R524-Y535 PolarHBondContact NH1-OH 3.24Å; Y535-G549 CarbonylContact O-C 3.49Å; Y535-G549 WeakPolarHBondContact O-CA 3.39Å; Y535-E550 PolarHBondContact N-O 2.63Å; Y535-E550 PolarHBondContact O-N 2.92Å; Y535-V552 HydrophobicContact CG-CG1 4.42Å
536	R	95.9	Very high	96.2	Very high	36 Å²	36	39 Å²	39	14%	0.136	22%	0.218	C	C	.	.			trans	-127.5	147.5	172	-69.1	-173	-176.9	81.4	3.4	110.5	V361 N362 S531 I534 V547	V361-R536 PolarHBondContact O-NH1 2.89Å; N362-R536 WeakPolarHBondContact O-CD 3.33Å; N362-R536 VanDerWaalsContact O-CZ 3.3Å; N362-R536 PolarHBondContact O-NE 3.48Å; S531-R536 PolarHBondContact OG-NH1 3.1Å; I534-R536 HydrophobicContact CG2-CG 4.47Å; R536-V547 PolarHBondContact NE-O 3.31Å
537	P	94.9	Very high	95.8	Very high	70 Å²	70	40.2 Å²	40.2	46%	0.455	23%	0.226	S	C	.	.			trans	-60.4	145.8	167.3	28.2	-33.8	0	0	0	109.7
538	L	96.8	Very high	95.6	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.047	26%	0.257	C	S	.	.			trans	-81.5	145.7	171.2	-63	-172.8	0	0	0	109.8	V359 G364 T483 L485 L520 R524	V359-L538 HydrophobicContact CG1-CD2 3.81Å; V359-L538 HydrophobicContact CG2-CD2 4.41Å; G364-L538 CarbonylContact O-C 3.53Å; G364-L538 VanDerWaalsContact O-CA 3.26Å; G364-L538 WeakPolarHBondContact O-CA 3.43Å; T483-L538 HydrophobicContact CG2-CD1 4.16Å; L485-L538 HydrophobicContact CD1-CB 3.82Å; L520-L538 HydrophobicContact CD1-CD1 3.37Å; L520-L538 HydrophobicContact CD2-CD1 4.46Å; L520-L538 HydrophobicContact CG-CD1 3.75Å; R524-L538 HydrophobicContact CB-CD1 3.98Å; R524-L538 HydrophobicContact CB-CD2 4.27Å; R524-L538 HydrophobicContact CB-CG 4.15Å; R524-L538 HydrophobicContact CG-CD2 4.39Å; R524-L538 HydrophobicContact CG-CG 4.28Å
539	S	96.9	Very high	95.4	Very high	20 Å²	20	47 Å²	47	14%	0.14	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-130.5	129.5	177.7	-172	0	0	0	0	112.3	S329 G364 V366 T541 V543	S329-S539 PolarHBondContact OG-O 3.49Å; G364-S539 PolarHBondContact O-N 2.82Å; V366-S539 PolarHBondContact N-O 2.99Å; S539-T541 PolarHBondContact OG-N 2.85Å; S539-T541 PolarHBondContact OG-O 3.35Å; S539-T541 PolarHBondContact OG-OG1 3.31Å; S539-V543 WeakPolarHBondContact OG-CG1 3.32Å
540	I	97.2	Very high	95.3	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	31%	0.306	C	S	.	.	S	Bend	trans	-88.7	-19.1	170.3	-165.4	54.2	0	0	0	112.8	L272 V286 F290 L328 S329 I330 V366 L485	L272-I540 HydrophobicContact CD1-CD1 3.41Å; L272-I540 VanDerWaalsContact CD1-CD1 3.41Å; L272-I540 HydrophobicContact CD1-CG1 3.97Å; L272-I540 HydrophobicContact CD2-CD1 4.31Å; L272-I540 HydrophobicContact CG-CD1 4.37Å; V286-I540 HydrophobicContact CG2-CG1 4.42Å; F290-I540 HydrophobicContact CE2-CG2 4.16Å; F290-I540 HydrophobicContact CZ-CG2 4.22Å; L328-I540 CarbonylContact C-O 3.47Å; L328-I540 WeakPolarHBondContact CA-O 3.34Å; L328-I540 WeakPolarHBondContact CB-O 2.96Å; S329-I540 PolarHBondContact N-O 3.01Å; S329-I540 WeakPolarHBondContact OG-CA 3.32Å; S329-I540 PolarHBondContact OG-O 2.92Å; I330-I540 HydrophobicContact CD1-CD1 3.87Å; I330-I540 HydrophobicContact CG1-CD1 3.96Å; V366-I540 HydrophobicContact CB-CD1 4.28Å; V366-I540 HydrophobicContact CG1-CD1 4.46Å; L485-I540 HydrophobicContact CD1-CB 3.9Å; L485-I540 HydrophobicContact CD2-CB 4.4Å; L485-I540 HydrophobicContact CG-CB 3.93Å; L485-I540 HydrophobicContact CG-CG2 4.41Å; L485-I540 VanDerWaalsContact O-CG2 3.29Å; L485-I540 WeakPolarHBondContact O-CG2 3.46Å
541	T	96.7	Very high	95.3	Very high	39 Å²	39	58.7 Å²	58.7	24%	0.239	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-92.2	151.5	171.8	54	0	0	0	0	110	F290 L326 L328 S329 S539 V543	F290-T541 HydrophobicContact CE1-CG2 3.93Å; F290-T541 HydrophobicContact CZ-CG2 3.76Å; L326-T541 HydrophobicContact CD1-CG2 3.82Å; L326-T541 HydrophobicContact CG-CG2 4.48Å; L328-T541 HydrophobicContact CD2-CG2 4.47Å; S329-T541 WeakPolarHBondContact CB-O 3.36Å; S539-T541 PolarHBondContact OG-N 2.85Å; S539-T541 PolarHBondContact OG-O 3.35Å; S539-T541 PolarHBondContact OG-OG1 3.31Å; T541-V543 PolarHBondContact O-N 3.19Å
542	K	95.6	Very high	95.3	Very high	107 Å²	107	58.8 Å²	58.8	47%	0.465	33%	0.325	S	S	.	.			trans	-62.3	136.2	174.3	-172.4	175.8	179.7	174.4	0	109.5	R171 A327 E365	R171-K542 HydrophobicContact CB-CD 4.31Å; R171-K542 PolarHBondContact O-NZ 3.37Å; A327-K542 PolarHBondContact O-N 3.33Å; E365-K542 WeakPolarHBondContact OE1-CA 3.44Å
543	V	94.1	Very high	95.3	Very high	34 Å²	34	57.9 Å²	57.9	21%	0.206	32%	0.322	C	S	.	.			trans	-117.2	149.5	-179.7	-59.3	0	0	0	0	110.8	E365 S539 T541 P545 V547	E365-V543 HydrophobicContact CG-CG2 3.64Å; E365-V543 PolarHBondContact OE1-N 3.21Å; S539-V543 WeakPolarHBondContact OG-CG1 3.32Å; T541-V543 PolarHBondContact O-N 3.19Å; V543-P545 WeakPolarHBondContact O-CD 3.46Å; V543-V547 HydrophobicContact CB-CG2 4.12Å; V543-V547 HydrophobicContact CG2-CG2 3.44Å; V543-V547 VanDerWaalsContact CG2-CG2 3.44Å
544	D	91.3	Very high	95.3	Very high	148 Å²	148	60.1 Å²	60.1	79%	0.791	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-82.9	117.8	173.2	-65.6	-40.5	0	0	0	109.7
545	P	87.5	Confident	95.3	Very high	97 Å²	97	61.7 Å²	61.7	63%	0.63	34%	0.343	S	S	*	.	S	Bend	trans	-74.9	152.8	176.8	30.5	-33.7	0	0	0	111.5	T363 V543	T363-P545 HydrophobicContact CG2-CB 4.39Å; V543-P545 WeakPolarHBondContact O-CD 3.46Å
546	P	89.5	Confident	95.3	Very high	125 Å²	125	63.2 Å²	63.2	81%	0.812	36%	0.361	S	S	*	.	P	Polyproline II helix	cis	-82.7	140.7	2.7	32.6	-34.1	0	0	0	113
547	V	90.6	Very high	95.4	Very high	25 Å²	25	62.8 Å²	62.8	15%	0.152	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-88.2	121.8	173.7	-177.7	0	0	0	0	109.3	T363 R536 V543	T363-V547 HydrophobicContact CG2-CG2 4.5Å; R536-V547 PolarHBondContact NE-O 3.31Å; V543-V547 HydrophobicContact CB-CG2 4.12Å; V543-V547 HydrophobicContact CG2-CG2 3.44Å; V543-V547 VanDerWaalsContact CG2-CG2 3.44Å
548	P	92.7	Very high	95.6	Very high	112 Å²	112	59.5 Å²	59.5	73%	0.727	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-61.3	140.7	177.6	26.1	-33.5	0	0	0	110.4
549	G	95	Very high	95.7	Very high	40 Å²	40	64.1 Å²	64.1	41%	0.412	36%	0.356	S	S	.	.			trans	-134.3	157.4	176.6	0	0	0	0	0	111.4	Y535	Y535-G549 CarbonylContact O-C 3.49Å; Y535-G549 WeakPolarHBondContact O-CA 3.39Å
550	E	97.4	Very high	95.8	Very high	134 Å²	134	64.3 Å²	64.3	63%	0.626	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.7	179.1	-174.9	-171.6	157.4	0	0	109.7	I534 Y535 V552	I534-E550 CarbonylContact C-O 3.48Å; I534-E550 WeakPolarHBondContact CA-O 3.38Å; Y535-E550 PolarHBondContact N-O 2.63Å; Y535-E550 PolarHBondContact O-N 2.92Å; E550-V552 HydrophobicContact CG-CG1 4.39Å; E550-V552 PolarHBondContact O-N 3.22Å
551	R	98.2	Very high	95.8	Very high	116 Å²	116	64.2 Å²	64.2	44%	0.438	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	108.6	173.7	-179.1	168	-65.6	-73.8	11.9	110.2	Y532 G533 F553 E555	Y532-R551 PolarHBondContact O-NH1 2.95Å; G533-R551 CarbonylContact O-C 3.53Å; R551-F553 WeakPolarHBondContact CG-O 3.41Å; R551-F553 PolarHBondContact NH1-O 3.17Å; R551-E555 IonicContact CZ-OE2 3.26Å; R551-E555 IonicContact NH2-OE2 3.29Å; R551-E555 PolarHBondContact NH2-OE2 3.19Å
552	V	98	Very high	95.9	Very high	14 Å²	14	62.4 Å²	62.4	9%	0.085	35%	0.345	C	S	.	.			trans	-98.9	-15.3	-179.6	-61.8	0	0	0	0	113.5	R476 T528 G533 Y535 E550	R476-V552 HydrophobicContact CB-CB 4.28Å; T528-V552 HydrophobicContact CG2-CG2 3.69Å; G533-V552 WeakPolarHBondContact O-CG2 3.5Å; G533-V552 PolarHBondContact O-N 3.07Å; Y535-V552 HydrophobicContact CG-CG1 4.42Å; E550-V552 HydrophobicContact CG-CG1 4.39Å; E550-V552 PolarHBondContact O-N 3.22Å
553	F	98.4	Very high	96.1	Very high	3 Å²	3	63 Å²	63	1%	0.013	35%	0.349	C	S	.	.	S	Bend	trans	-146.3	148.3	178.1	-140.4	-94.9	0	0	0	112.3	M409 Q413 T473 F477 G533 R551 E555 I557 V558	M409-F553 VanDerWaalsContact C-CZ 3.49Å; M409-F553 HydrophobicContact CB-CD1 4.3Å; M409-F553 HydrophobicContact CB-CE1 3.62Å; M409-F553 HydrophobicContact CB-CZ 3.74Å; M409-F553 HydrophobicContact CG-CE1 4.38Å; M409-F553 VanDerWaalsContact O-CZ 3.31Å; M409-F553 WeakPolarHBondContact O-CZ 3.45Å; Q413-F553 HydrophobicContact CB-CE1 4.07Å; Q413-F553 HydrophobicContact CB-CE2 4.5Å; Q413-F553 HydrophobicContact CB-CZ 3.59Å; Q413-F553 HydrophobicContact CG-CZ 4.18Å; T473-F553 HydrophobicContact CG2-CD2 4.44Å; T473-F553 HydrophobicContact CG2-CE2 4.03Å; F477-F553 HydrophobicContact CE2-CB 4.22Å; F477-F553 AromaticContact CE2-CD2 3.91Å; F477-F553 HydrophobicContact CE2-CD2 3.91Å; F477-F553 HydrophobicContact CE2-CG 4.22Å; F477-F553 HydrophobicContact CZ-CB 4.13Å; F477-F553 HydrophobicContact CZ-CD2 4.48Å; F477-F553 HydrophobicContact CZ-CG 4.35Å; G533-F553 PolarHBondContact O-N 2.98Å; R551-F553 WeakPolarHBondContact CG-O 3.41Å; R551-F553 PolarHBondContact NH1-O 3.17Å; F553-E555 PolarHBondContact O-N 2.84Å; F553-I557 HydrophobicContact CD1-CB 4.37Å; F553-I557 HydrophobicContact CD1-CG2 4.42Å; F553-I557 HydrophobicContact CE1-CB 4.03Å; F553-I557 HydrophobicContact CE1-CD1 4.21Å; F553-I557 HydrophobicContact CE1-CG2 3.74Å; F553-V558 HydrophobicContact CB-CG2 3.9Å; F553-V558 HydrophobicContact CD1-CG2 3.76Å; F553-V558 HydrophobicContact CG-CG2 4.22Å
554	P	98.3	Very high	96.3	Very high	47 Å²	47	61.6 Å²	61.6	31%	0.305	34%	0.341	S	S	.	.			trans	-61	131	176.5	-26.3	35.4	0	0	0	113.1	S556 I557 V558	P554-S556 PolarHBondContact O-N 2.78Å; P554-I557 HydrophobicContact CB-CD1 4.25Å; P554-I557 HydrophobicContact CB-CG1 4.43Å; P554-I557 HydrophobicContact CG-CD1 4.3Å; P554-I557 PolarHBondContact O-N 2.87Å; P554-V558 WeakPolarHBondContact O-CG2 3.4Å; P554-V558 PolarHBondContact O-N 2.9Å
555	E	98.4	Very high	96.6	Very high	69 Å²	69	54.6 Å²	54.6	32%	0.322	30%	0.303	S	S	.	.	H	α-helix	trans	-58	-44.5	-176	174.5	160.3	172.3	0	0	113.5	R551 F553 I557 V558 R559	R551-E555 IonicContact CZ-OE2 3.26Å; R551-E555 IonicContact NH2-OE2 3.29Å; R551-E555 PolarHBondContact NH2-OE2 3.19Å; F553-E555 PolarHBondContact O-N 2.84Å; E555-I557 VanDerWaalsContact C-N 3.32Å; E555-I557 PolarHBondContact O-N 3.34Å; E555-V558 PolarHBondContact O-N 3.21Å; E555-R559 HydrophobicContact CG-CG 4.28Å; E555-R559 WeakPolarHBondContact O-CG 3.39Å; E555-R559 PolarHBondContact O-N 3.14Å; E555-R559 IonicContact OE1-CZ 2.78Å; E555-R559 VanDerWaalsContact OE1-CZ 3.24Å; E555-R559 IonicContact OE1-NE 3.65Å; E555-R559 PolarHBondContact OE1-NE 2.89Å; E555-R559 IonicContact OE1-NH2 3.12Å; E555-R559 PolarHBondContact OE1-NH2 3.2Å
556	S	98.3	Very high	97.1	Very high	81 Å²	81	50.8 Å²	50.8	57%	0.566	28%	0.277	S	S	*	.	H	α-helix	trans	-55.9	-46.8	-179.2	51.8	0	0	0	0	111.9	P554 R559 T560	P554-S556 PolarHBondContact O-N 2.78Å; S556-R559 PolarHBondContact O-N 3.39Å; S556-T560 PolarHBondContact O-N 2.85Å; S556-T560 PolarHBondContact O-OG1 3Å
557	I	98.6	Very high	97.5	Very high	27 Å²	27	45.4 Å²	45.4	14%	0.138	24%	0.242	C	C	.	.	H	α-helix	trans	-67.8	-41.3	-179.5	-58.4	174	0	0	0	111.1	M409 L412 Q413 F553 P554 E555 R559 T560 V561	M409-I557 HydrophobicContact CB-CG2 4.26Å; M409-I557 HydrophobicContact CG-CG2 4.41Å; L412-I557 HydrophobicContact CB-CG2 3.81Å; L412-I557 HydrophobicContact CD1-CG2 3.98Å; Q413-I557 HydrophobicContact CB-CD1 3.78Å; F553-I557 HydrophobicContact CD1-CB 4.37Å; F553-I557 HydrophobicContact CD1-CG2 4.42Å; F553-I557 HydrophobicContact CE1-CB 4.03Å; F553-I557 HydrophobicContact CE1-CD1 4.21Å; F553-I557 HydrophobicContact CE1-CG2 3.74Å; P554-I557 HydrophobicContact CB-CD1 4.25Å; P554-I557 HydrophobicContact CB-CG1 4.43Å; P554-I557 HydrophobicContact CG-CD1 4.3Å; P554-I557 PolarHBondContact O-N 2.87Å; E555-I557 VanDerWaalsContact C-N 3.32Å; E555-I557 PolarHBondContact O-N 3.34Å; I557-R559 VanDerWaalsContact C-N 3.34Å; I557-R559 PolarHBondContact O-N 2.84Å; I557-T560 PolarHBondContact O-N 2.83Å; I557-V561 WeakPolarHBondContact O-CG2 3.2Å; I557-V561 PolarHBondContact O-N 3.09Å
558	V	98.6	Very high	97.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-40.6	178.4	-173.6	0	0	0	0	110.4	M409 I529 Y532 F553 P554 E555 V561 V562	M409-V558 HydrophobicContact CE-CG1 4.05Å; M409-V558 HydrophobicContact SD-CG2 4.31Å; I529-V558 HydrophobicContact CG2-CG1 4.18Å; I529-V558 VanDerWaalsContact O-CG1 3.27Å; I529-V558 WeakPolarHBondContact O-CG1 3.41Å; Y532-V558 HydrophobicContact CD1-CG1 4.33Å; F553-V558 HydrophobicContact CB-CG2 3.9Å; F553-V558 HydrophobicContact CD1-CG2 3.76Å; F553-V558 HydrophobicContact CG-CG2 4.22Å; P554-V558 WeakPolarHBondContact O-CG2 3.4Å; P554-V558 PolarHBondContact O-N 2.9Å; E555-V558 PolarHBondContact O-N 3.21Å; V558-V561 PolarHBondContact O-N 3.1Å; V558-V562 HydrophobicContact CG1-CG2 4.24Å; V558-V562 WeakPolarHBondContact O-CB 3.46Å; V558-V562 VanDerWaalsContact O-CG2 3.29Å; V558-V562 WeakPolarHBondContact O-CG2 3.29Å; V558-V562 PolarHBondContact O-N 2.85Å
559	R	98.4	Very high	98.1	Very high	106 Å²	106	39 Å²	39	40%	0.4	20%	0.202	S	C	.	.	H	α-helix	trans	-59	-47.4	173.8	-75.3	-179.8	179.1	-77.3	-0.3	112.1	Y532 E555 S556 I557 V561 V562 H563	Y532-R559 HydrophobicContact CD1-CB 4.37Å; Y532-R559 HydrophobicContact CD1-CG 3.45Å; Y532-R559 VanDerWaalsContact CD1-CG 3.45Å; Y532-R559 HydrophobicContact CD2-CG 4.35Å; Y532-R559 VanDerWaalsContact CD2-CZ 3.48Å; Y532-R559 HydrophobicContact CE1-CB 4.42Å; Y532-R559 HydrophobicContact CE1-CG 3.61Å; Y532-R559 HydrophobicContact CE2-CG 4.47Å; Y532-R559 HydrophobicContact CG-CG 3.84Å; Y532-R559 PolarHBondContact OH-NH1 2.93Å; E555-R559 HydrophobicContact CG-CG 4.28Å; E555-R559 WeakPolarHBondContact O-CG 3.39Å; E555-R559 PolarHBondContact O-N 3.14Å; E555-R559 IonicContact OE1-CZ 2.78Å; E555-R559 VanDerWaalsContact OE1-CZ 3.24Å; E555-R559 IonicContact OE1-NE 3.65Å; E555-R559 PolarHBondContact OE1-NE 2.89Å; E555-R559 IonicContact OE1-NH2 3.12Å; E555-R559 PolarHBondContact OE1-NH2 3.2Å; S556-R559 PolarHBondContact O-N 3.39Å; I557-R559 VanDerWaalsContact C-N 3.34Å; I557-R559 PolarHBondContact O-N 2.84Å; R559-V561 VanDerWaalsContact C-N 3.32Å; R559-V561 PolarHBondContact O-N 3.27Å; R559-V562 PolarHBondContact O-N 3.3Å; R559-H563 PolarHBondContact O-N 3.44Å
560	T	98.5	Very high	98.2	Very high	24 Å²	24	41.8 Å²	41.8	15%	0.147	21%	0.206	C	C	.	.	H	α-helix	trans	-55.9	-47.1	175	-64.2	0	0	0	0	111.1	L412 E419 S556 I557 H563 M564	L412-T560 HydrophobicContact CD1-CG2 4.36Å; E419-T560 HydrophobicContact CB-CG2 4.44Å; E419-T560 HydrophobicContact CG-CG2 3.8Å; E419-T560 VanDerWaalsContact OE1-CG2 3.25Å; E419-T560 WeakPolarHBondContact OE1-CG2 3.41Å; E419-T560 PolarHBondContact OE1-OG1 3.13Å; S556-T560 PolarHBondContact O-N 2.85Å; S556-T560 PolarHBondContact O-OG1 3Å; I557-T560 PolarHBondContact O-N 2.83Å; T560-H563 WeakPolarHBondContact O-CB 3.32Å; T560-H563 PolarHBondContact O-N 3.14Å; T560-M564 HydrophobicContact CG2-CE 3.61Å; T560-M564 HydrophobicContact CG2-SD 4.33Å; T560-M564 VanDerWaalsContact O-CG 3.32Å; T560-M564 WeakPolarHBondContact O-CG 3.44Å; T560-M564 PolarHBondContact O-N 2.73Å
561	V	98.7	Very high	98	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-72	-36.2	-178.4	174.6	0	0	0	0	112.6	P405 V408 M409 L412 L450 I557 V558 R559 H563 M564 M565	P405-V561 HydrophobicContact CB-CG1 3.87Å; V408-V561 HydrophobicContact CB-CG2 4.41Å; V408-V561 HydrophobicContact CG1-CG2 3.92Å; M409-V561 HydrophobicContact CB-CG2 4.49Å; M409-V561 HydrophobicContact CE-CB 3.76Å; M409-V561 HydrophobicContact CE-CG1 3.48Å; M409-V561 VanDerWaalsContact CE-CG1 3.48Å; M409-V561 HydrophobicContact CG-CB 3.85Å; M409-V561 HydrophobicContact CG-CG1 3.99Å; M409-V561 HydrophobicContact CG-CG2 3.61Å; L412-V561 HydrophobicContact CD1-CG2 3.89Å; L450-V561 HydrophobicContact CD1-CG1 3.97Å; I557-V561 WeakPolarHBondContact O-CG2 3.2Å; I557-V561 PolarHBondContact O-N 3.09Å; V558-V561 PolarHBondContact O-N 3.1Å; R559-V561 VanDerWaalsContact C-N 3.32Å; R559-V561 PolarHBondContact O-N 3.27Å; V561-H563 VanDerWaalsContact C-N 3.27Å; V561-H563 PolarHBondContact O-N 3.13Å; V561-M564 HydrophobicContact CG2-SD 4.43Å; V561-M564 WeakPolarHBondContact O-CB 3.34Å; V561-M564 PolarHBondContact O-N 3.48Å; V561-M565 HydrophobicContact CG1-CG 4.44Å; V561-M565 HydrophobicContact CG1-SD 4.21Å; V561-M565 VanDerWaalsContact O-CG 3.26Å; V561-M565 WeakPolarHBondContact O-CG 3.38Å; V561-M565 PolarHBondContact O-N 3.12Å
562	V	98.7	Very high	97.7	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.012	21%	0.213	C	C	.	.	H	α-helix	trans	-58.2	-43.4	170.8	167.9	0	0	0	0	110.1	I529 Y532 V558 R559 M565 E566 A586	I529-V562 HydrophobicContact CG2-CG2 3.58Å; Y532-V562 HydrophobicContact CD1-CG2 4.4Å; Y532-V562 HydrophobicContact CE1-CB 4.34Å; Y532-V562 HydrophobicContact CE1-CG1 4.35Å; Y532-V562 HydrophobicContact CE1-CG2 4.19Å; V558-V562 HydrophobicContact CG1-CG2 4.24Å; V558-V562 WeakPolarHBondContact O-CB 3.46Å; V558-V562 VanDerWaalsContact O-CG2 3.29Å; V558-V562 WeakPolarHBondContact O-CG2 3.29Å; V558-V562 PolarHBondContact O-N 2.85Å; R559-V562 PolarHBondContact O-N 3.3Å; V562-M565 WeakPolarHBondContact O-CB 3.36Å; V562-M565 PolarHBondContact O-N 3.09Å; V562-E566 PolarHBondContact O-N 3.06Å; V562-A586 HydrophobicContact CG1-CB 3.86Å; V562-A586 WeakPolarHBondContact O-CB 3.46Å
563	H	98.2	Very high	97.5	Very high	118 Å²	118	37.3 Å²	37.3	55%	0.546	22%	0.215	S	C	.	.	H	α-helix	trans	-62.2	-44.6	175.4	-177.5	51.8	0	0	0	112.4	R559 T560 V561 M565 E566	R559-H563 PolarHBondContact O-N 3.44Å; T560-H563 WeakPolarHBondContact O-CB 3.32Å; T560-H563 PolarHBondContact O-N 3.14Å; V561-H563 VanDerWaalsContact C-N 3.27Å; V561-H563 PolarHBondContact O-N 3.13Å; H563-M565 VanDerWaalsContact C-N 3.26Å; H563-M565 PolarHBondContact O-N 3.29Å; H563-E566 WeakPolarHBondContact CA-OE1 3.22Å; H563-E566 IonicContact CE1-OE1 3.17Å; H563-E566 IonicContact CG-OE1 3.77Å; H563-E566 IonicContact ND1-OE1 2.78Å; H563-E566 PolarHBondContact ND1-OE1 3.15Å; H563-E566 WeakPolarHBondContact O-CB 3.38Å; H563-E566 PolarHBondContact O-N 3.29Å
564	M	98.5	Very high	97.1	Very high	6 Å²	6	39 Å²	39	3%	0.03	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-36.6	174.5	-66.9	174.4	174.9	0	0	112.3	V408 E419 L446 T447 L450 T560 V561 E566 S567	V408-M564 HydrophobicContact CG1-SD 4.1Å; E419-M564 HydrophobicContact CB-CE 4.3Å; L446-M564 HydrophobicContact CB-CE 3.82Å; L446-M564 HydrophobicContact CB-SD 3.95Å; L446-M564 HydrophobicContact CD1-CE 4.26Å; T447-M564 HydrophobicContact CG2-CB 4.47Å; T447-M564 WeakPolarHBondContact OG1-CG 3.48Å; L450-M564 HydrophobicContact CD1-CB 3.9Å; T560-M564 HydrophobicContact CG2-CE 3.61Å; T560-M564 HydrophobicContact CG2-SD 4.33Å; T560-M564 VanDerWaalsContact O-CG 3.32Å; T560-M564 WeakPolarHBondContact O-CG 3.44Å; T560-M564 PolarHBondContact O-N 2.73Å; V561-M564 HydrophobicContact CG2-SD 4.43Å; V561-M564 WeakPolarHBondContact O-CB 3.34Å; V561-M564 PolarHBondContact O-N 3.48Å; M564-E566 VanDerWaalsContact C-N 3.26Å; M564-E566 PolarHBondContact O-N 2.96Å; M564-S567 WeakPolarHBondContact O-CB 3.17Å; M564-S567 PolarHBondContact O-N 3.19Å; M564-S567 PolarHBondContact O-OG 3.01Å
565	M	98.6	Very high	97	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.9	-21.7	179.8	-73.5	169.5	58.4	0	0	113.7	P405 L450 Y526 V561 V562 H563 S567 V568 A586	P405-M565 HydrophobicContact CB-SD 3.71Å; P405-M565 HydrophobicContact CG-CE 4.22Å; P405-M565 HydrophobicContact CG-CG 4.21Å; P405-M565 HydrophobicContact CG-SD 3.67Å; L450-M565 HydrophobicContact CD1-CG 4.09Å; Y526-M565 HydrophobicContact CD1-CE 4.26Å; Y526-M565 HydrophobicContact CE1-CE 3.53Å; V561-M565 HydrophobicContact CG1-CG 4.44Å; V561-M565 HydrophobicContact CG1-SD 4.21Å; V561-M565 VanDerWaalsContact O-CG 3.26Å; V561-M565 WeakPolarHBondContact O-CG 3.38Å; V561-M565 PolarHBondContact O-N 3.12Å; V562-M565 WeakPolarHBondContact O-CB 3.36Å; V562-M565 PolarHBondContact O-N 3.09Å; H563-M565 VanDerWaalsContact C-N 3.26Å; H563-M565 PolarHBondContact O-N 3.29Å; M565-S567 PolarHBondContact O-N 3.37Å; M565-V568 WeakPolarHBondContact O-CB 3.49Å; M565-V568 WeakPolarHBondContact O-CG2 3.24Å; M565-V568 PolarHBondContact O-N 3.17Å; M565-V568 VanDerWaalsContact O-N 3.17Å; M565-A586 HydrophobicContact CB-CB 4.01Å
566	E	98.3	Very high	96.9	Very high	17 Å²	17	36.4 Å²	36.4	8%	0.079	22%	0.221	C	C	.	.	H	α-helix	trans	-59.3	-36.2	175.3	-62.6	179.4	-108	0	0	112	V562 H563 M564 V568 A569 L570 R584 I585 A586 A615	V562-E566 PolarHBondContact O-N 3.06Å; H563-E566 WeakPolarHBondContact CA-OE1 3.22Å; H563-E566 IonicContact CE1-OE1 3.17Å; H563-E566 IonicContact CG-OE1 3.77Å; H563-E566 IonicContact ND1-OE1 2.78Å; H563-E566 PolarHBondContact ND1-OE1 3.15Å; H563-E566 WeakPolarHBondContact O-CB 3.38Å; H563-E566 PolarHBondContact O-N 3.29Å; M564-E566 VanDerWaalsContact C-N 3.26Å; M564-E566 PolarHBondContact O-N 2.96Å; E566-V568 PolarHBondContact O-N 3.33Å; E566-A569 PolarHBondContact O-N 3.23Å; E566-L570 WeakPolarHBondContact O-CG 3.35Å; E566-L570 PolarHBondContact O-N 3.24Å; E566-R584 VanDerWaalsContact CD-NH2 3.27Å; E566-R584 IonicContact OE1-CZ 3.27Å; E566-R584 IonicContact OE1-NE 2.69Å; E566-R584 IonicContact OE1-NH2 2.98Å; E566-R584 PolarHBondContact OE1-NH2 3.13Å; E566-R584 WeakPolarHBondContact OE2-CB 3.38Å; E566-R584 IonicContact OE2-CZ 3.18Å; E566-R584 VanDerWaalsContact OE2-CZ 3.29Å; E566-R584 IonicContact OE2-NE 2.72Å; E566-R584 PolarHBondContact OE2-NE 2.8Å; E566-R584 IonicContact OE2-NH2 2.82Å; E566-R584 PolarHBondContact OE2-NH2 2.62Å; E566-I585 WeakPolarHBondContact CA-O 3.33Å; E566-A586 HydrophobicContact CG-CB 4.25Å; E566-A615 HydrophobicContact CG-CB 3.67Å
567	S	97.8	Very high	96.9	Very high	12 Å²	12	38 Å²	38	8%	0.084	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-21.9	178.7	71	0	0	0	0	114.1	T447 Q451 M564 M565 L570 G573	T447-S567 WeakPolarHBondContact CG2-OG 3.4Å; Q451-S567 WeakPolarHBondContact CB-OG 3Å; Q451-S567 WeakPolarHBondContact CG-O 3.41Å; Q451-S567 PolarHBondContact NE2-O 3.04Å; M564-S567 WeakPolarHBondContact O-CB 3.17Å; M564-S567 PolarHBondContact O-N 3.19Å; M564-S567 PolarHBondContact O-OG 3.01Å; M565-S567 PolarHBondContact O-N 3.37Å; S567-L570 PolarHBondContact O-N 2.94Å; S567-G573 WeakPolarHBondContact O-CA 3.22Å
568	V	98	Very high	96.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-33.5	179.3	-178	0	0	0	0	111.5	M565 E566 G573 G575 V576 I587 T589	M565-V568 WeakPolarHBondContact O-CB 3.49Å; M565-V568 WeakPolarHBondContact O-CG2 3.24Å; M565-V568 PolarHBondContact O-N 3.17Å; M565-V568 VanDerWaalsContact O-N 3.17Å; E566-V568 PolarHBondContact O-N 3.33Å; V568-G573 CarbonylContact O-C 3.2Å; V568-G573 WeakPolarHBondContact O-CA 3.45Å; V568-G575 CarbonylContact O-C 3.54Å; V568-G575 VanDerWaalsContact O-C 3.28Å; V568-G575 VanDerWaalsContact O-CA 3.25Å; V568-G575 WeakPolarHBondContact O-CA 3.41Å; V568-G575 PolarHBondContact O-N 3.16Å; V568-V576 PolarHBondContact O-N 3.5Å; V568-I587 HydrophobicContact CB-CG1 4.13Å; V568-I587 WeakPolarHBondContact CB-O 3.47Å; V568-I587 HydrophobicContact CG1-CD1 4.01Å; V568-I587 HydrophobicContact CG1-CG1 4Å; V568-I587 WeakPolarHBondContact CG2-O 3.4Å; V568-T589 HydrophobicContact CG1-CG2 4.48Å
569	A	97.2	Very high	96.8	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.033	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-9.7	177	0	0	0	0	0	113.3	E566 V576 I585 I587	E566-A569 PolarHBondContact O-N 3.23Å; A569-V576 WeakPolarHBondContact O-CA 3.29Å; A569-I585 HydrophobicContact CB-CB 4.28Å; A569-I585 HydrophobicContact CB-CG2 4.49Å; A569-I587 HydrophobicContact CB-CD1 4.26Å; A569-I587 HydrophobicContact CB-CG1 4.05Å
570	L	96.4	Very high	96.7	Very high	97 Å²	97	35.4 Å²	35.4	51%	0.508	22%	0.22	S	C	.	.	S	Bend	trans	-88.4	164.1	178.2	-67.4	178.2	0	0	0	112.2	E566 S567 G572 G573 V576	E566-L570 WeakPolarHBondContact O-CG 3.35Å; E566-L570 PolarHBondContact O-N 3.24Å; S567-L570 PolarHBondContact O-N 2.94Å; L570-G572 PolarHBondContact O-N 3.32Å; L570-G573 WeakPolarHBondContact O-CA 3.18Å; L570-G573 PolarHBondContact O-N 3.48Å; L570-V576 WeakPolarHBondContact O-CG2 3.26Å
571	P	94.1	Very high	96.5	Very high	111 Å²	111	43.2 Å²	43.2	72%	0.721	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	135.1	175.4	-29.9	36.7	0	0	0	113	G573	P571-G573 VanDerWaalsContact C-N 3.26Å; P571-G573 PolarHBondContact O-N 2.97Å
572	G	91.1	Very high	96.4	Very high	46 Å²	46	43.9 Å²	43.9	47%	0.474	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-10.2	-172.6	0	0	0	0	0	114.7	K452 L570	K452-G572 WeakPolarHBondContact CE-O 3.39Å; K452-G572 PolarHBondContact NZ-O 3.39Å; L570-G572 PolarHBondContact O-N 3.32Å
573	G	94.2	Very high	96.4	Very high	13 Å²	13	45.2 Å²	45.2	13%	0.134	26%	0.264	C	S	.	.	S	Bend	trans	-75.8	157.6	174.1	0	0	0	0	0	114.3	S567 V568 L570 P571 G575 V576	S567-G573 WeakPolarHBondContact O-CA 3.22Å; V568-G573 CarbonylContact O-C 3.2Å; V568-G573 WeakPolarHBondContact O-CA 3.45Å; L570-G573 WeakPolarHBondContact O-CA 3.18Å; L570-G573 PolarHBondContact O-N 3.48Å; P571-G573 VanDerWaalsContact C-N 3.26Å; P571-G573 PolarHBondContact O-N 2.97Å; G573-G575 PolarHBondContact O-N 3.28Å; G573-V576 WeakPolarHBondContact O-CG2 3.13Å
574	G	90.9	Very high	96.3	Very high	39 Å²	39	43.7 Å²	43.7	40%	0.402	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	4.2	175.8	0	0	0	0	0	115.3	Q451 G637	Q451-G574 PolarHBondContact O-N 2.85Å; Q451-G574 VanDerWaalsContact O-N 3.17Å; G574-G637 WeakPolarHBondContact O-CA 3.21Å
575	G	95.1	Very high	96.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.7	24.3	-173.5	0	0	0	0	0	114.3	V568 G573 K577 A578	V568-G575 CarbonylContact O-C 3.54Å; V568-G575 VanDerWaalsContact O-C 3.28Å; V568-G575 VanDerWaalsContact O-CA 3.25Å; V568-G575 WeakPolarHBondContact O-CA 3.41Å; V568-G575 PolarHBondContact O-N 3.16Å; G573-G575 PolarHBondContact O-N 3.28Å; G575-K577 PolarHBondContact O-N 3.01Å; G575-A578 WeakPolarHBondContact O-CB 3.45Å; G575-A578 PolarHBondContact O-N 3.35Å
576	V	97.2	Very high	96.3	Very high	61 Å²	61	43.7 Å²	43.7	37%	0.37	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-51.4	-31.7	-174.1	-166.3	0	0	0	0	113.8	V568 A569 L570 G573 A578 A579	V568-V576 PolarHBondContact O-N 3.5Å; A569-V576 WeakPolarHBondContact O-CA 3.29Å; L570-V576 WeakPolarHBondContact O-CG2 3.26Å; G573-V576 WeakPolarHBondContact O-CG2 3.13Å; V576-A578 PolarHBondContact O-N 2.89Å; V576-A578 VanDerWaalsContact O-N 3.14Å; V576-A579 VanDerWaalsContact O-CB 3.24Å; V576-A579 WeakPolarHBondContact O-CB 3.28Å; V576-A579 PolarHBondContact O-N 3.19Å
577	K	97.1	Very high	96.3	Very high	116 Å²	116	42.9 Å²	42.9	50%	0.504	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-66.6	-11.4	178.7	-65.9	-171	175.8	-168.5	0	114.7	G575 A579 A641 P642	G575-K577 PolarHBondContact O-N 3.01Å; K577-A579 VanDerWaalsContact C-N 3.34Å; K577-A641 HydrophobicContact CB-CB 4.49Å; K577-P642 HydrophobicContact CB-CB 4.16Å; K577-P642 HydrophobicContact CB-CG 4.49Å; K577-P642 HydrophobicContact CD-CG 4.46Å; K577-P642 WeakPolarHBondContact O-CA 3.41Å
578	A	97.8	Very high	96.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-85.7	-5.1	172.9	0	0	0	0	0	113.4	G575 V576 I587 A641 F644	G575-A578 WeakPolarHBondContact O-CB 3.45Å; G575-A578 PolarHBondContact O-N 3.35Å; V576-A578 PolarHBondContact O-N 2.89Å; V576-A578 VanDerWaalsContact O-N 3.14Å; A578-I587 HydrophobicContact CB-CD1 3.52Å; A578-A641 VanDerWaalsContact CA-O 3.27Å; A578-A641 WeakPolarHBondContact CA-O 3.42Å; A578-A641 HydrophobicContact CB-CB 4.07Å; A578-A641 WeakPolarHBondContact CB-O 3.48Å; A578-F644 HydrophobicContact CB-CD1 4.07Å
579	A	97.5	Very high	96.4	Very high	59 Å²	59	42.9 Å²	42.9	49%	0.488	25%	0.25	S	C	.	.			trans	-60.3	140.9	-179.8	0	0	0	0	0	111.5	V576 K577	V576-A579 VanDerWaalsContact O-CB 3.24Å; V576-A579 WeakPolarHBondContact O-CB 3.28Å; V576-A579 PolarHBondContact O-N 3.19Å; K577-A579 VanDerWaalsContact C-N 3.34Å
580	I	97.1	Very high	96.3	Very high	18 Å²	18	42.9 Å²	42.9	9%	0.092	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-122.5	124	179.4	-61	165.2	0	0	0	107.1	G582 Y583 I585 M648 L652	I580-G582 PolarHBondContact O-N 3.44Å; I580-Y583 HydrophobicContact CG2-CD2 3.69Å; I580-Y583 HydrophobicContact CG2-CE2 4.44Å; I580-Y583 HydrophobicContact CG2-CG 4.46Å; I580-Y583 PolarHBondContact O-N 2.88Å; I580-Y583 VanDerWaalsContact O-N 3.11Å; I580-I585 HydrophobicContact CB-CD1 4.18Å; I580-I585 HydrophobicContact CB-CG1 4.19Å; I580-I585 HydrophobicContact CD1-CD1 3.62Å; I580-I585 HydrophobicContact CD1-CG1 4.13Å; I580-I585 HydrophobicContact CG1-CD1 4.2Å; I580-I585 HydrophobicContact CG1-CG1 4.25Å; I580-M648 HydrophobicContact CD1-CB 3.71Å; I580-M648 HydrophobicContact CD1-CG 3.79Å; I580-L652 HydrophobicContact CD1-CD1 4.21Å
581	K	94.6	Very high	96.2	Very high	188 Å²	188	39.9 Å²	39.9	82%	0.817	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	129.5	179.6	-174.2	-179.9	177.8	-175	0	110	Y583	K581-Y583 VanDerWaalsContact C-N 3.32Å
582	G	95.8	Very high	96.1	Very high	15 Å²	15	34.7 Å²	34.7	16%	0.155	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-7	179.1	0	0	0	0	0	115.4	I580 P659 D660 A661	I580-G582 PolarHBondContact O-N 3.44Å; G582-P659 CarbonylContact O-C 2.94Å; G582-P659 WeakPolarHBondContact O-CA 3.24Å; G582-P659 WeakPolarHBondContact O-CB 3.31Å; G582-D660 PolarHBondContact O-N 2.64Å; G582-D660 VanDerWaalsContact O-N 3.17Å; G582-A661 WeakPolarHBondContact O-CA 3.41Å; G582-A661 WeakPolarHBondContact O-CB 3.32Å; G582-A661 PolarHBondContact O-N 2.81Å
583	Y	97.9	Very high	96.2	Very high	29 Å²	29	37 Å²	37	11%	0.114	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-123.9	142	-178.6	-64	-88	0	0	0	112.9	I580 K581 P614 L652 I657 E658 P659 D660	I580-Y583 HydrophobicContact CG2-CD2 3.69Å; I580-Y583 HydrophobicContact CG2-CE2 4.44Å; I580-Y583 HydrophobicContact CG2-CG 4.46Å; I580-Y583 PolarHBondContact O-N 2.88Å; I580-Y583 VanDerWaalsContact O-N 3.11Å; K581-Y583 VanDerWaalsContact C-N 3.32Å; Y583-P614 HydrophobicContact CD1-CB 4.4Å; Y583-P614 HydrophobicContact CD1-CG 4.08Å; Y583-P614 HydrophobicContact CE1-CG 4.44Å; Y583-L652 HydrophobicContact CD1-CD1 3.78Å; Y583-L652 HydrophobicContact CD1-CD2 4.45Å; Y583-L652 HydrophobicContact CD2-CD1 3.98Å; Y583-L652 HydrophobicContact CE1-CB 4.09Å; Y583-L652 HydrophobicContact CE1-CD1 4.07Å; Y583-L652 HydrophobicContact CE1-CD2 4.28Å; Y583-L652 HydrophobicContact CE1-CG 4.38Å; Y583-L652 HydrophobicContact CE2-CB 4.17Å; Y583-L652 HydrophobicContact CE2-CD1 4.26Å; Y583-L652 HydrophobicContact CG-CD1 3.71Å; Y583-I657 HydrophobicContact CE1-CB 4.41Å; Y583-I657 HydrophobicContact CE1-CG2 4.24Å; Y583-I657 WeakPolarHBondContact CE1-O 3.49Å; Y583-I657 PolarHBondContact OH-O 3.28Å; Y583-E658 WeakPolarHBondContact CE1-O 3.47Å; Y583-P659 VanDerWaalsContact CE1-CA 3.5Å; Y583-P659 HydrophobicContact CE1-CB 4.26Å; Y583-P659 HydrophobicContact CE1-CG 4.27Å; Y583-P659 HydrophobicContact CE2-CG 4.31Å; Y583-D660 WeakPolarHBondContact CA-OD1 3.33Å
584	R	98.1	Very high	96.1	Very high	87 Å²	87	38 Å²	38	33%	0.328	20%	0.199	S	C	.	.			trans	-82.1	127.2	168.8	-58.3	174.1	59.5	177.2	-4.6	108.6	E566 P614 A615 D660 A661	E566-R584 VanDerWaalsContact CD-NH2 3.27Å; E566-R584 IonicContact OE1-CZ 3.27Å; E566-R584 IonicContact OE1-NE 2.69Å; E566-R584 IonicContact OE1-NH2 2.98Å; E566-R584 PolarHBondContact OE1-NH2 3.13Å; E566-R584 WeakPolarHBondContact OE2-CB 3.38Å; E566-R584 IonicContact OE2-CZ 3.18Å; E566-R584 VanDerWaalsContact OE2-CZ 3.29Å; E566-R584 IonicContact OE2-NE 2.72Å; E566-R584 PolarHBondContact OE2-NE 2.8Å; E566-R584 IonicContact OE2-NH2 2.82Å; E566-R584 PolarHBondContact OE2-NH2 2.62Å; R584-P614 CarbonylContact O-C 3.5Å; R584-A615 HydrophobicContact CB-CB 3.76Å; R584-A615 WeakPolarHBondContact O-CB 3.41Å; R584-A615 PolarHBondContact O-N 3.05Å; R584-D660 WeakPolarHBondContact CB-OD2 3.48Å; R584-D660 VanDerWaalsContact CD-O 3.28Å; R584-D660 WeakPolarHBondContact CD-O 3.19Å; R584-D660 PolarHBondContact N-OD1 2.83Å; R584-A661 HydrophobicContact CG-CB 3.78Å
585	I	98.2	Very high	95.9	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.031	20%	0.196	C	C	.	.			trans	-123.1	121	-172.3	-55.8	-58	0	0	0	109.6	E566 A569 I580 I587 A613 F644 L652	E566-I585 WeakPolarHBondContact CA-O 3.33Å; A569-I585 HydrophobicContact CB-CB 4.28Å; A569-I585 HydrophobicContact CB-CG2 4.49Å; I580-I585 HydrophobicContact CB-CD1 4.18Å; I580-I585 HydrophobicContact CB-CG1 4.19Å; I580-I585 HydrophobicContact CD1-CD1 3.62Å; I580-I585 HydrophobicContact CD1-CG1 4.13Å; I580-I585 HydrophobicContact CG1-CD1 4.2Å; I580-I585 HydrophobicContact CG1-CG1 4.25Å; I585-I587 HydrophobicContact CG2-CG2 3.55Å; I585-A613 HydrophobicContact CD1-CB 3.48Å; I585-A613 VanDerWaalsContact CD1-CB 3.48Å; I585-F644 HydrophobicContact CG2-CE1 3.77Å; I585-L652 HydrophobicContact CD1-CD1 4.45Å
586	A	98.7	Very high	95.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	107.8	176.5	0	0	0	0	0	109.9	V562 M565 E566 G611 V612 A615	V562-A586 HydrophobicContact CG1-CB 3.86Å; V562-A586 WeakPolarHBondContact O-CB 3.46Å; M565-A586 HydrophobicContact CB-CB 4.01Å; E566-A586 HydrophobicContact CG-CB 4.25Å; A586-G611 CarbonylContact O-C 3.57Å; A586-G611 WeakPolarHBondContact O-CA 3.15Å; A586-V612 HydrophobicContact CB-CG2 4.02Å; A586-V612 PolarHBondContact N-O 3.46Å; A586-V612 PolarHBondContact O-N 3.22Å; A586-A615 HydrophobicContact CB-CB 3.96Å
587	I	98.7	Very high	94.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	166.2	-176.2	56.6	151.2	0	0	0	112.4	V568 A569 A578 I585 T589 T609 A610 F644	V568-I587 HydrophobicContact CB-CG1 4.13Å; V568-I587 WeakPolarHBondContact CB-O 3.47Å; V568-I587 HydrophobicContact CG1-CD1 4.01Å; V568-I587 HydrophobicContact CG1-CG1 4Å; V568-I587 WeakPolarHBondContact CG2-O 3.4Å; A569-I587 HydrophobicContact CB-CD1 4.26Å; A569-I587 HydrophobicContact CB-CG1 4.05Å; A578-I587 HydrophobicContact CB-CD1 3.52Å; I585-I587 HydrophobicContact CG2-CG2 3.55Å; I587-T589 HydrophobicContact CD1-CG2 4.25Å; I587-T609 HydrophobicContact CB-CG2 4.21Å; I587-T609 HydrophobicContact CD1-CG2 4.05Å; I587-T609 HydrophobicContact CG2-CG2 4.28Å; I587-A610 CarbonylContact C-O 3.58Å; I587-A610 WeakPolarHBondContact CA-O 3.38Å; I587-F644 HydrophobicContact CG2-CD1 3.86Å; I587-F644 HydrophobicContact CG2-CD2 4.37Å; I587-F644 HydrophobicContact CG2-CE1 3.41Å; I587-F644 VanDerWaalsContact CG2-CE1 3.41Å; I587-F644 HydrophobicContact CG2-CE2 3.93Å; I587-F644 HydrophobicContact CG2-CG 4.35Å; I587-F644 HydrophobicContact CG2-CZ 3.46Å; I587-F644 VanDerWaalsContact CG2-CZ 3.46Å
588	K	98.6	Very high	94.4	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	128.7	162.1	-168.1	68.9	-163.8	75.9	0	109.9	S401 P405 S453 Y526 A610	S401-K588 WeakPolarHBondContact O-CE 3.41Å; S401-K588 VanDerWaalsContact O-CG 3.22Å; S401-K588 WeakPolarHBondContact O-CG 3.49Å; P405-K588 HydrophobicContact CG-CB 4.29Å; P405-K588 HydrophobicContact CG-CD 4.49Å; P405-K588 HydrophobicContact CG-CG 4.3Å; S453-K588 VanDerWaalsContact CB-NZ 3.31Å; S453-K588 PolarHBondContact OG-NZ 2.99Å; Y526-K588 HydrophobicContact CE1-CB 4.48Å; Y526-K588 WeakPolarHBondContact OH-CB 3.25Å; K588-A610 PolarHBondContact N-O 3.4Å; K588-A610 PolarHBondContact O-N 2.86Å
589	T	97.9	Very high	93.7	Very high	11 Å²	11	45 Å²	45	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	152.1	170.3	60.3	0	0	0	0	110.5	S401 V568 I587 T609 A641	S401-T589 WeakPolarHBondContact CB-O 3.1Å; V568-T589 HydrophobicContact CG1-CG2 4.48Å; I587-T589 HydrophobicContact CD1-CG2 4.25Å; T589-T609 HydrophobicContact CG2-CG2 4.35Å; T589-A641 HydrophobicContact CG2-CB 4.23Å
590	G	94.8	Very high	93.3	Very high	3 Å²	3	50.9 Å²	50.9	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	163.8	170	0	0	0	0	0	112.5	Y608 G636	G590-Y608 VanDerWaalsContact C-CE2 3.46Å; G590-Y608 VanDerWaalsContact CA-CE2 3.41Å; G590-Y608 PolarHBondContact N-O 3.04Å; G590-Y608 PolarHBondContact O-N 2.98Å; G590-Y608 VanDerWaalsContact O-N 3.14Å; G590-G636 WeakPolarHBondContact O-CA 3.48Å
591	T	94.7	Very high	93	Very high	35 Å²	35	55.7 Å²	55.7	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	120.2	-178	-56.1	0	0	0	0	106.9	Y605 I606 Y634 Y635 G636	T591-Y605 HydrophobicContact CG2-CD1 4.21Å; T591-I606 WeakPolarHBondContact CA-O 3.5Å; T591-Y634 HydrophobicContact CG2-CD2 3.93Å; T591-Y634 HydrophobicContact CG2-CE2 4.46Å; T591-Y635 HydrophobicContact CG2-CD1 4.31Å; T591-Y635 WeakPolarHBondContact OG1-CA 3.43Å; T591-G636 PolarHBondContact OG1-N 3.47Å
592	A	92.3	Very high	92.9	Very high	2 Å²	2	49.6 Å²	49.6	2%	0.017	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	149.7	176.8	0	0	0	0	0	110.1	E398 Y605 I606 Y608	E398-A592 HydrophobicContact CB-CB 4.34Å; A592-Y605 CarbonylContact O-C 3.5Å; A592-Y605 VanDerWaalsContact O-CA 3.31Å; A592-Y605 WeakPolarHBondContact O-CA 3.25Å; A592-I606 PolarHBondContact N-O 3.22Å; A592-I606 VanDerWaalsContact N-O 3.1Å; A592-I606 PolarHBondContact O-N 3.17Å; A592-Y608 HydrophobicContact CB-CE1 4.14Å; A592-Y608 VanDerWaalsContact CB-OH 3.29Å; A592-Y608 WeakPolarHBondContact CB-OH 3.24Å
593	K	92.2	Very high	92.7	Very high	93 Å²	93	55.2 Å²	55.2	40%	0.404	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	139.9	168.1	-76.4	-175.5	176.3	-174.6	0	108.9	Y601 K604 Y605	K593-Y601 HydrophobicContact CB-CD1 3.79Å; K593-Y601 HydrophobicContact CB-CG 4.42Å; K593-K604 WeakPolarHBondContact CA-O 3.19Å; K593-Y605 HydrophobicContact CD-CE1 4.2Å; K593-Y605 WeakPolarHBondContact CE-OH 3.26Å; K593-Y605 HydrophobicContact CG-CD1 3.85Å; K593-Y605 HydrophobicContact CG-CE1 3.45Å; K593-Y605 VanDerWaalsContact CG-CE1 3.45Å
594	K	92.3	Very high	92.5	Very high	34 Å²	34	57.1 Å²	57.1	15%	0.148	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	148.2	172.6	-68.2	-179.1	73.4	163.7	0	109.6	E352 Y601 I602 K604 I606 N627 D628	E352-K594 IonicContact OE1-NZ 2.87Å; E352-K594 PolarHBondContact OE1-NZ 3.06Å; E352-K594 IonicContact OE2-NZ 3.87Å; E352-K594 PolarHBondContact OE2-NZ 3.27Å; K594-Y601 WeakPolarHBondContact O-CA 3.39Å; K594-I602 HydrophobicContact CB-CD1 4.16Å; K594-I602 HydrophobicContact CB-CG1 3.92Å; K594-I602 WeakPolarHBondContact O-CG1 3.45Å; K594-I602 PolarHBondContact O-N 3.31Å; K594-K604 HydrophobicContact CB-CB 4.1Å; K594-K604 HydrophobicContact CD-CB 3.69Å; K594-K604 HydrophobicContact CD-CD 4.37Å; K594-K604 HydrophobicContact CG-CB 4.11Å; K594-K604 PolarHBondContact N-O 2.93Å; K594-I606 HydrophobicContact CD-CG1 4.15Å; K594-I606 HydrophobicContact CG-CD1 3.96Å; K594-I606 HydrophobicContact CG-CG1 3.59Å; K594-N627 WeakPolarHBondContact CD-OD1 3.45Å; K594-N627 WeakPolarHBondContact CE-OD1 3.39Å; K594-N627 PolarHBondContact NZ-ND2 3.07Å; K594-N627 PolarHBondContact NZ-OD1 2.92Å; K594-D628 HydrophobicContact CD-CB 4.32Å
595	V	87.6	Confident	92.4	Very high	55 Å²	55	54.6 Å²	54.6	33%	0.333	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.2	167.5	-176.8	0	0	0	0	107.5	G599 R600 Y601	V595-G599 WeakPolarHBondContact CG1-O 3.43Å; V595-R600 CarbonylContact C-O 3.52Å; V595-R600 WeakPolarHBondContact CA-O 3.46Å; V595-Y601 HydrophobicContact CG2-CD1 3.99Å; V595-Y601 HydrophobicContact CG2-CE1 3.77Å
596	G	85.7	Confident	92.4	Very high	9 Å²	9	55.2 Å²	55.2	9%	0.093	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-75.9	173.8	176.5	0	0	0	0	0	112.6	D598 G599 R600	G596-D598 PolarHBondContact O-N 3.45Å; G596-D598 VanDerWaalsContact O-N 3.16Å; G596-G599 PolarHBondContact O-N 3.39Å; G596-R600 PolarHBondContact N-O 2.86Å
597	P	84	Confident	92.3	Very high	146 Å²	146	55.2 Å²	55.2	95%	0.948	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.8	-179.7	-24	34.4	0	0	0	114.4	G599	P597-G599 VanDerWaalsContact C-N 3.26Å; P597-G599 PolarHBondContact O-N 3.44Å
598	D	87.1	Confident	92.2	Very high	100 Å²	100	55.2 Å²	55.2	54%	0.535	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	3.3	177	67.4	-22.3	0	0	0	113.5	G596 R600	G596-D598 PolarHBondContact O-N 3.45Å; G596-D598 VanDerWaalsContact O-N 3.16Å; D598-R600 VanDerWaalsContact C-N 3.26Å; D598-R600 PolarHBondContact O-N 3.22Å; D598-R600 PolarHBondContact OD1-N 3.43Å; D598-R600 VanDerWaalsContact OD1-N 3.09Å; D598-R600 WeakPolarHBondContact OD2-CB 3.38Å; D598-R600 WeakPolarHBondContact OD2-CD 3.45Å; D598-R600 VanDerWaalsContact OD2-CG 3.32Å; D598-R600 WeakPolarHBondContact OD2-CG 3.44Å; D598-R600 IonicContact OD2-NE 3.59Å
599	G	84.4	Confident	92.2	Very high	55 Å²	55	55.2 Å²	55.2	57%	0.567	29%	0.289	S	S	*	.	S	Bend	trans	78.1	5	-177	0	0	0	0	0	114.3	V595 G596 P597	V595-G599 WeakPolarHBondContact CG1-O 3.43Å; G596-G599 PolarHBondContact O-N 3.39Å; P597-G599 VanDerWaalsContact C-N 3.26Å; P597-G599 PolarHBondContact O-N 3.44Å
600	R	89.5	Confident	92.2	Very high	182 Å²	182	54.7 Å²	54.7	69%	0.687	29%	0.285	S	S	*	.	S	Bend	trans	-97.2	153.3	179.1	-59.5	-174.2	-178.5	169.2	-2.5	111.6	V595 G596 D598 I602	V595-R600 CarbonylContact C-O 3.52Å; V595-R600 WeakPolarHBondContact CA-O 3.46Å; G596-R600 PolarHBondContact N-O 2.86Å; D598-R600 VanDerWaalsContact C-N 3.26Å; D598-R600 PolarHBondContact O-N 3.22Å; D598-R600 PolarHBondContact OD1-N 3.43Å; D598-R600 VanDerWaalsContact OD1-N 3.09Å; D598-R600 WeakPolarHBondContact OD2-CB 3.38Å; D598-R600 WeakPolarHBondContact OD2-CD 3.45Å; D598-R600 VanDerWaalsContact OD2-CG 3.32Å; D598-R600 WeakPolarHBondContact OD2-CG 3.44Å; D598-R600 IonicContact OD2-NE 3.59Å; R600-I602 PolarHBondContact O-N 2.88Å
601	Y	89.7	Confident	92.4	Very high	118 Å²	118	54.5 Å²	54.5	46%	0.463	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	132.6	173.7	-66	-74.6	0	0	0	111.2	E398 Y513 K593 K594 V595	E398-Y601 PolarHBondContact OE1-OH 3.36Å; E398-Y601 WeakPolarHBondContact OE2-CE1 3.37Å; E398-Y601 PolarHBondContact OE2-OH 3.48Å; Y513-Y601 HydrophobicContact CD1-CE1 4.45Å; Y513-Y601 WeakPolarHBondContact CD1-OH 3.32Å; Y513-Y601 HydrophobicContact CE1-CE1 4.11Å; K593-Y601 HydrophobicContact CB-CD1 3.79Å; K593-Y601 HydrophobicContact CB-CG 4.42Å; K594-Y601 WeakPolarHBondContact O-CA 3.39Å; V595-Y601 HydrophobicContact CG2-CD1 3.99Å; V595-Y601 HydrophobicContact CG2-CE1 3.77Å
602	I	92.2	Very high	92.6	Very high	60 Å²	60	52.9 Å²	52.9	31%	0.308	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	163.2	176.6	58	172.6	0	0	0	110.8	K594 R600 K604	K594-I602 HydrophobicContact CB-CD1 4.16Å; K594-I602 HydrophobicContact CB-CG1 3.92Å; K594-I602 WeakPolarHBondContact O-CG1 3.45Å; K594-I602 PolarHBondContact O-N 3.31Å; R600-I602 PolarHBondContact O-N 2.88Å; I602-K604 HydrophobicContact CD1-CB 4.12Å; I602-K604 HydrophobicContact CD1-CD 3.8Å; I602-K604 HydrophobicContact CD1-CG 4.01Å; I602-K604 HydrophobicContact CG1-CB 4.14Å; I602-K604 HydrophobicContact CG1-CG 4.36Å; I602-K604 PolarHBondContact O-N 2.89Å
603	N	91.3	Very high	92.9	Very high	133 Å²	133	52.8 Å²	52.8	71%	0.711	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	49.6	178.8	-164.8	36.9	0	0	0	112.5	Y605	N603-Y605 VanDerWaalsContact OD1-CE2 3.32Å; N603-Y605 WeakPolarHBondContact OD1-CE2 3.14Å; N603-Y605 PolarHBondContact OD1-OH 3.06Å
604	K	94.7	Very high	93.2	Very high	70 Å²	70	48.6 Å²	48.6	30%	0.304	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148.8	172.9	-65.3	-171	166.9	-141.6	0	108.5	E352 K593 K594 I602 D628	E352-K604 IonicContact OE2-NZ 2.62Å; K593-K604 WeakPolarHBondContact CA-O 3.19Å; K594-K604 HydrophobicContact CB-CB 4.1Å; K594-K604 HydrophobicContact CD-CB 3.69Å; K594-K604 HydrophobicContact CD-CD 4.37Å; K594-K604 HydrophobicContact CG-CB 4.11Å; K594-K604 PolarHBondContact N-O 2.93Å; I602-K604 HydrophobicContact CD1-CB 4.12Å; I602-K604 HydrophobicContact CD1-CD 3.8Å; I602-K604 HydrophobicContact CD1-CG 4.01Å; I602-K604 HydrophobicContact CG1-CB 4.14Å; I602-K604 HydrophobicContact CG1-CG 4.36Å; I602-K604 PolarHBondContact O-N 2.89Å; K604-D628 VanDerWaalsContact CB-OD1 3.29Å; K604-D628 WeakPolarHBondContact CB-OD1 3.39Å; K604-D628 VanDerWaalsContact CD-OD2 3.32Å; K604-D628 WeakPolarHBondContact CD-OD2 3.25Å; K604-D628 VanDerWaalsContact CE-OD2 3.29Å; K604-D628 WeakPolarHBondContact CE-OD2 3.29Å; K604-D628 WeakPolarHBondContact CG-OD1 3.4Å; K604-D628 IonicContact NZ-OD2 3.13Å; K604-D628 PolarHBondContact NZ-OD2 3.43Å
605	Y	96.2	Very high	93.5	Very high	34 Å²	34	47.2 Å²	47.2	13%	0.133	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.5	-169.2	-61.1	-92.7	0	0	0	111.5	T591 A592 K593 N603 D628 P629 Y634	T591-Y605 HydrophobicContact CG2-CD1 4.21Å; A592-Y605 CarbonylContact O-C 3.5Å; A592-Y605 VanDerWaalsContact O-CA 3.31Å; A592-Y605 WeakPolarHBondContact O-CA 3.25Å; K593-Y605 HydrophobicContact CD-CE1 4.2Å; K593-Y605 WeakPolarHBondContact CE-OH 3.26Å; K593-Y605 HydrophobicContact CG-CD1 3.85Å; K593-Y605 HydrophobicContact CG-CE1 3.45Å; K593-Y605 VanDerWaalsContact CG-CE1 3.45Å; N603-Y605 VanDerWaalsContact OD1-CE2 3.32Å; N603-Y605 WeakPolarHBondContact OD1-CE2 3.14Å; N603-Y605 PolarHBondContact OD1-OH 3.06Å; Y605-D628 WeakPolarHBondContact O-CA 3.37Å; Y605-D628 PolarHBondContact O-N 3.45Å; Y605-P629 WeakPolarHBondContact O-CD 3.4Å; Y605-Y634 AromaticContact CD1-CD2 3.77Å; Y605-Y634 HydrophobicContact CD1-CD2 3.77Å; Y605-Y634 HydrophobicContact CD1-CE2 4.05Å; Y605-Y634 HydrophobicContact CD1-CG 4.41Å; Y605-Y634 HydrophobicContact CD2-CD1 4.27Å; Y605-Y634 HydrophobicContact CD2-CD2 4.08Å; Y605-Y634 AromaticContact CD2-CG 3.9Å; Y605-Y634 HydrophobicContact CD2-CG 3.9Å; Y605-Y634 HydrophobicContact CE1-CD2 4.16Å; Y605-Y634 AromaticContact CE1-CE2 3.98Å; Y605-Y634 HydrophobicContact CE1-CE2 3.98Å; Y605-Y634 HydrophobicContact CE2-CD1 4.42Å; Y605-Y634 HydrophobicContact CE2-CD2 4.47Å; Y605-Y634 HydrophobicContact CE2-CG 4.4Å; Y605-Y634 AromaticContact CG-CD2 3.74Å; Y605-Y634 HydrophobicContact CG-CD2 3.74Å; Y605-Y634 HydrophobicContact CG-CE2 4.38Å; Y605-Y634 AromaticContact CG-CG 3.93Å; Y605-Y634 HydrophobicContact CG-CG 3.93Å
606	I	97.1	Very high	93.9	Very high	19 Å²	19	47.1 Å²	47.1	10%	0.097	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.2	169.7	-48.5	176.3	0	0	0	106.9	F397 T591 A592 K594 Y608 V625	F397-I606 HydrophobicContact CB-CD1 3.62Å; F397-I606 HydrophobicContact CG-CD1 4.39Å; T591-I606 WeakPolarHBondContact CA-O 3.5Å; A592-I606 PolarHBondContact N-O 3.22Å; A592-I606 VanDerWaalsContact N-O 3.1Å; A592-I606 PolarHBondContact O-N 3.17Å; K594-I606 HydrophobicContact CD-CG1 4.15Å; K594-I606 HydrophobicContact CG-CD1 3.96Å; K594-I606 HydrophobicContact CG-CG1 3.59Å; I606-Y608 HydrophobicContact CB-CD1 4.23Å; I606-Y608 HydrophobicContact CB-CE1 4.16Å; I606-Y608 HydrophobicContact CG2-CD1 3.73Å; I606-Y608 HydrophobicContact CG2-CE1 4.12Å; I606-V625 HydrophobicContact CG2-CG1 3.46Å; I606-V625 VanDerWaalsContact CG2-CG1 3.46Å
607	A	97.9	Very high	94.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.9	179.8	0	0	0	0	0	109.2	I626 P629 Y634 V639	A607-I626 HydrophobicContact CB-CB 4.48Å; A607-I626 PolarHBondContact N-O 2.89Å; A607-I626 PolarHBondContact O-N 3.45Å; A607-P629 HydrophobicContact CB-CG 4.48Å; A607-Y634 WeakPolarHBondContact CB-O 3.43Å; A607-V639 HydrophobicContact CB-CB 3.88Å; A607-V639 HydrophobicContact CB-CG1 3.98Å
608	Y	95.9	Very high	95.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	149.4	-178.5	41.3	-103.7	0	0	0	112.8	F397 E398 P399 G400 T402 G590 A592 I606 V624 S640	F397-Y608 AromaticContact CD2-CD1 3.9Å; F397-Y608 HydrophobicContact CD2-CD1 3.9Å; F397-Y608 AromaticContact CD2-CE1 3.59Å; F397-Y608 HydrophobicContact CD2-CE1 3.59Å; F397-Y608 AromaticContact CE2-CD1 3.51Å; F397-Y608 HydrophobicContact CE2-CD1 3.51Å; F397-Y608 AromaticContact CE2-CE1 3.51Å; F397-Y608 HydrophobicContact CE2-CE1 3.51Å; F397-Y608 HydrophobicContact CE2-CE2 4.49Å; F397-Y608 HydrophobicContact CE2-CG 4.03Å; F397-Y608 HydrophobicContact CZ-CD1 4.39Å; E398-Y608 PolarHBondContact O-OH 3.18Å; P399-Y608 WeakPolarHBondContact O-CE2 3.45Å; P399-Y608 PolarHBondContact O-OH 3.36Å; P399-Y608 VanDerWaalsContact O-OH 3.09Å; G400-Y608 VanDerWaalsContact CA-OH 3.26Å; G400-Y608 WeakPolarHBondContact CA-OH 3.37Å; G400-Y608 PolarHBondContact N-OH 3.32Å; G400-Y608 VanDerWaalsContact N-OH 3.13Å; T402-Y608 HydrophobicContact CG2-CD2 3.44Å; T402-Y608 VanDerWaalsContact CG2-CD2 3.44Å; T402-Y608 HydrophobicContact CG2-CE2 3.67Å; G590-Y608 VanDerWaalsContact C-CE2 3.46Å; G590-Y608 VanDerWaalsContact CA-CE2 3.41Å; G590-Y608 PolarHBondContact N-O 3.04Å; G590-Y608 PolarHBondContact O-N 2.98Å; G590-Y608 VanDerWaalsContact O-N 3.14Å; A592-Y608 HydrophobicContact CB-CE1 4.14Å; A592-Y608 VanDerWaalsContact CB-OH 3.29Å; A592-Y608 WeakPolarHBondContact CB-OH 3.24Å; I606-Y608 HydrophobicContact CB-CD1 4.23Å; I606-Y608 HydrophobicContact CB-CE1 4.16Å; I606-Y608 HydrophobicContact CG2-CD1 3.73Å; I606-Y608 HydrophobicContact CG2-CE1 4.12Å; Y608-V624 CarbonylContact C-O 3.6Å; Y608-V624 WeakPolarHBondContact CA-O 3.34Å; Y608-V624 VanDerWaalsContact CB-O 3.28Å; Y608-V624 WeakPolarHBondContact CB-O 3.47Å; Y608-S640 WeakPolarHBondContact CA-OG 3.47Å; Y608-S640 PolarHBondContact N-OG 2.92Å; Y608-S640 PolarHBondContact O-OG 2.81Å
609	T	98.7	Very high	95.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	128.5	177.1	-62.9	0	0	0	0	107.5	I587 T589 V624 S640 A641 F644	I587-T609 HydrophobicContact CB-CG2 4.21Å; I587-T609 HydrophobicContact CD1-CG2 4.05Å; I587-T609 HydrophobicContact CG2-CG2 4.28Å; T589-T609 HydrophobicContact CG2-CG2 4.35Å; T609-V624 PolarHBondContact N-O 3.22Å; T609-V624 PolarHBondContact O-N 2.95Å; T609-S640 PolarHBondContact N-OG 3.29Å; T609-S640 PolarHBondContact OG1-OG 2.83Å; T609-A641 WeakPolarHBondContact OG1-CA 3.4Å; T609-A641 PolarHBondContact OG1-N 3.48Å; T609-A641 VanDerWaalsContact OG1-N 3.1Å; T609-F644 HydrophobicContact CG2-CB 3.84Å; T609-F644 HydrophobicContact CG2-CD2 3.87Å; T609-F644 HydrophobicContact CG2-CG 3.87Å
610	A	98.8	Very high	96.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.4	178.4	0	0	0	0	0	108.6	T402 L522 Y526 I587 K588 L622 V623	T402-A610 HydrophobicContact CG2-CB 4.26Å; L522-A610 HydrophobicContact CD2-CB 4.21Å; L522-A610 HydrophobicContact CG-CB 4.26Å; Y526-A610 HydrophobicContact CD1-CB 3.93Å; Y526-A610 HydrophobicContact CD2-CB 3.55Å; Y526-A610 HydrophobicContact CE1-CB 3.72Å; Y526-A610 VanDerWaalsContact CE1-O 3.23Å; Y526-A610 WeakPolarHBondContact CE1-O 3.48Å; Y526-A610 HydrophobicContact CE2-CB 3.39Å; Y526-A610 HydrophobicContact CG-CB 3.83Å; Y526-A610 VanDerWaalsContact CZ-CB 3.49Å; I587-A610 CarbonylContact C-O 3.58Å; I587-A610 WeakPolarHBondContact CA-O 3.38Å; K588-A610 PolarHBondContact N-O 3.4Å; K588-A610 PolarHBondContact O-N 2.86Å; A610-L622 WeakPolarHBondContact CA-O 3.44Å; A610-V623 HydrophobicContact CB-CG2 3.79Å
611	G	98.7	Very high	96.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.8	-179.6	-175.4	0	0	0	0	0	113.8	Y526 A586 A621 L622	Y526-G611 VanDerWaalsContact CD1-CA 3.43Å; Y526-G611 VanDerWaalsContact CD1-N 3.27Å; A586-G611 CarbonylContact O-C 3.57Å; A586-G611 WeakPolarHBondContact O-CA 3.15Å; G611-A621 WeakPolarHBondContact O-CA 3.2Å; G611-L622 PolarHBondContact N-O 2.98Å; G611-L622 PolarHBondContact O-N 2.74Å
612	V	98.9	Very high	97.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153	179.9	-58.4	0	0	0	0	111.4	Y526 A586 P618 F620 A621	Y526-V612 WeakPolarHBondContact O-CG1 3.29Å; A586-V612 HydrophobicContact CB-CG2 4.02Å; A586-V612 PolarHBondContact N-O 3.46Å; A586-V612 PolarHBondContact O-N 3.22Å; V612-P618 HydrophobicContact CB-CB 4Å; V612-P618 HydrophobicContact CB-CG 4.39Å; V612-P618 HydrophobicContact CG2-CB 3.99Å; V612-P618 HydrophobicContact CG2-CG 3.82Å; V612-F620 WeakPolarHBondContact CA-O 3.31Å; V612-F620 WeakPolarHBondContact CB-O 3.47Å; V612-A621 HydrophobicContact CG1-CB 3.94Å
613	A	98.6	Very high	97.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	153.9	174.3	0	0	0	0	0	112.3	I585 R619 F620 M648 L652	I585-A613 HydrophobicContact CD1-CB 3.48Å; I585-A613 VanDerWaalsContact CD1-CB 3.48Å; A613-R619 PolarHBondContact O-N 2.82Å; A613-R619 VanDerWaalsContact O-N 3.08Å; A613-F620 PolarHBondContact N-O 2.89Å; A613-F620 VanDerWaalsContact N-O 3.1Å; A613-F620 PolarHBondContact O-N 3.2Å; A613-F620 VanDerWaalsContact O-N 3.16Å; A613-M648 HydrophobicContact CB-CE 4.18Å; A613-M648 HydrophobicContact CB-CG 3.63Å; A613-M648 HydrophobicContact CB-SD 3.83Å; A613-L652 HydrophobicContact CB-CD1 4.03Å; A613-L652 HydrophobicContact CB-CD2 4.41Å
614	P	98.4	Very high	97.8	Very high	6 Å²	6	20 Å²	20	4%	0.039	10%	0.095	C	C	.	.	S	Bend	cis	-64.2	153.7	-16.1	-16.2	30.8	0	0	0	111.8	Y583 R584 S616 Q617 P618 L652 I657 D660	Y583-P614 HydrophobicContact CD1-CB 4.4Å; Y583-P614 HydrophobicContact CD1-CG 4.08Å; Y583-P614 HydrophobicContact CE1-CG 4.44Å; R584-P614 CarbonylContact O-C 3.5Å; P614-S616 VanDerWaalsContact C-N 3.34Å; P614-S616 PolarHBondContact O-N 3.34Å; P614-Q617 CarbonylContact O-C 3.53Å; P614-Q617 PolarHBondContact O-N 3.34Å; P614-P618 WeakPolarHBondContact O-CA 3.22Å; P614-P618 WeakPolarHBondContact O-CD 3.46Å; P614-P618 WeakPolarHBondContact O-CG 3.38Å; P614-L652 HydrophobicContact CG-CD2 4.06Å; P614-I657 HydrophobicContact CG-CG2 3.45Å; P614-I657 VanDerWaalsContact CG-CG2 3.45Å; P614-D660 HydrophobicContact CB-CB 4.42Å; P614-D660 VanDerWaalsContact CB-OD2 3.29Å; P614-D660 WeakPolarHBondContact CB-OD2 3.3Å
615	A	97.7	Very high	98	Very high	4 Å²	4	17 Å²	17	3%	0.033	8%	0.083	C	C	.	.	S	Bend	trans	-70.7	-30.4	-173.6	0	0	0	0	0	113.1	Y532 E566 R584 A586	Y532-A615 PolarHBondContact OH-O 3.48Å; E566-A615 HydrophobicContact CG-CB 3.67Å; R584-A615 HydrophobicContact CB-CB 3.76Å; R584-A615 WeakPolarHBondContact O-CB 3.41Å; R584-A615 PolarHBondContact O-N 3.05Å; A586-A615 HydrophobicContact CB-CB 3.96Å
616	S	96.4	Very high	98.1	Very high	54 Å²	54	15.4 Å²	15.4	38%	0.378	8%	0.077	S	C	.	.	S	Bend	trans	-67.6	-36	178	59.5	0	0	0	0	113.2	Y532 P614 D660	Y532-S616 PolarHBondContact OH-O 2.99Å; P614-S616 VanDerWaalsContact C-N 3.34Å; P614-S616 PolarHBondContact O-N 3.34Å; S616-D660 VanDerWaalsContact CB-OD2 3.26Å; S616-D660 WeakPolarHBondContact CB-OD2 3.23Å; S616-D660 PolarHBondContact N-OD2 2.88Å; S616-D660 WeakPolarHBondContact OG-CB 3.45Å; S616-D660 PolarHBondContact OG-OD2 2.86Å
617	Q	96.3	Very high	98.1	Very high	136 Å²	136	15.3 Å²	15.3	64%	0.636	8%	0.077	S	C	*	.	S	Bend	trans	-147.6	83.9	175.4	-168.5	178.4	26	0	0	110.1	P614 R619	P614-Q617 CarbonylContact O-C 3.53Å; P614-Q617 PolarHBondContact O-N 3.34Å; Q617-R619 PolarHBondContact O-N 2.73Å
618	P	98.4	Very high	98.1	Very high	5 Å²	5	15.8 Å²	15.8	3%	0.032	8%	0.079	C	C	.	.			trans	-55.6	123.2	-176.7	-30.5	37.4	0	0	0	113.3	V361 G530 Y532 V612 P614	V361-P618 HydrophobicContact CG2-CB 4.47Å; G530-P618 WeakPolarHBondContact O-CB 3.43Å; G530-P618 WeakPolarHBondContact O-CG 3.36Å; Y532-P618 HydrophobicContact CE1-CG 4.38Å; Y532-P618 WeakPolarHBondContact OH-CD 3.47Å; V612-P618 HydrophobicContact CB-CB 4Å; V612-P618 HydrophobicContact CB-CG 4.39Å; V612-P618 HydrophobicContact CG2-CB 3.99Å; V612-P618 HydrophobicContact CG2-CG 3.82Å; P614-P618 WeakPolarHBondContact O-CA 3.22Å; P614-P618 WeakPolarHBondContact O-CD 3.46Å; P614-P618 WeakPolarHBondContact O-CG 3.38Å
619	R	98.1	Very high	98.1	Very high	88 Å²	88	16.3 Å²	16.3	33%	0.332	8%	0.083	S	C	.	.			trans	-104.1	-35	172.7	-67.9	-56.5	-54.3	-166.2	2	111.9	D360 V361 N362 A613 Q617 I657	D360-R619 IonicContact OD2-NH2 3.43Å; V361-R619 PolarHBondContact N-O 2.84Å; N362-R619 PolarHBondContact ND2-NE 3.48Å; N362-R619 PolarHBondContact ND2-NH1 2.95Å; N362-R619 PolarHBondContact ND2-NH2 3.44Å; A613-R619 PolarHBondContact O-N 2.82Å; A613-R619 VanDerWaalsContact O-N 3.08Å; Q617-R619 PolarHBondContact O-N 2.73Å; R619-I657 HydrophobicContact CG-CD1 4.25Å
620	F	98.8	Very high	98	Very high	3 Å²	3	22 Å²	22	1%	0.013	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	139	-174.8	-52.6	-62.8	0	0	0	111.6	L358 V359 L367 V612 A613 M648 V651 L652 M655 I657	L358-F620 HydrophobicContact CD1-CB 4.01Å; V359-F620 WeakPolarHBondContact O-CA 3.33Å; L367-F620 HydrophobicContact CD1-CD1 3.66Å; L367-F620 HydrophobicContact CD1-CE1 3.54Å; V612-F620 WeakPolarHBondContact CA-O 3.31Å; V612-F620 WeakPolarHBondContact CB-O 3.47Å; A613-F620 PolarHBondContact N-O 2.89Å; A613-F620 VanDerWaalsContact N-O 3.1Å; A613-F620 PolarHBondContact O-N 3.2Å; A613-F620 VanDerWaalsContact O-N 3.16Å; F620-M648 HydrophobicContact CB-CE 3.93Å; F620-M648 HydrophobicContact CB-SD 3.92Å; F620-M648 HydrophobicContact CD2-SD 4.43Å; F620-V651 HydrophobicContact CD1-CG1 4.37Å; F620-V651 HydrophobicContact CD2-CG1 3.65Å; F620-V651 HydrophobicContact CE1-CG1 4.48Å; F620-V651 HydrophobicContact CE2-CG1 3.74Å; F620-V651 HydrophobicContact CG-CG1 3.97Å; F620-V651 HydrophobicContact CZ-CG1 4.2Å; F620-L652 HydrophobicContact CD2-CD2 4.11Å; F620-L652 HydrophobicContact CE2-CD2 4.34Å; F620-M655 HydrophobicContact CE1-CG 4.48Å; F620-M655 HydrophobicContact CE2-CB 4.04Å; F620-M655 HydrophobicContact CE2-CG 4.16Å; F620-M655 HydrophobicContact CZ-CB 3.79Å; F620-M655 HydrophobicContact CZ-CE 4.17Å; F620-M655 HydrophobicContact CZ-CG 3.67Å; F620-I657 HydrophobicContact CE2-CD1 4.03Å; F620-I657 HydrophobicContact CE2-CG1 3.69Å; F620-I657 HydrophobicContact CZ-CD1 4.29Å; F620-I657 HydrophobicContact CZ-CG1 4.38Å
621	A	98.9	Very high	97.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.4	165.7	0	0	0	0	0	109.3	L358 V359 V361 A527 G611 V612	L358-A621 WeakPolarHBondContact CA-O 3.31Å; V359-A621 HydrophobicContact CB-CB 4.49Å; V359-A621 PolarHBondContact N-O 3.29Å; V359-A621 PolarHBondContact O-N 3.16Å; V361-A621 HydrophobicContact CG2-CB 4.13Å; A527-A621 HydrophobicContact CB-CB 4Å; G611-A621 WeakPolarHBondContact O-CA 3.2Å; V612-A621 HydrophobicContact CG1-CB 3.94Å
622	L	98.9	Very high	97.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	137.2	179.6	174	66.6	0	0	0	109.7	V357 L358 A610 G611 V624 F644 I647 M648	V357-L622 WeakPolarHBondContact O-CA 3.42Å; V357-L622 WeakPolarHBondContact O-CD1 3.49Å; L358-L622 HydrophobicContact CB-CD1 4.33Å; L358-L622 HydrophobicContact CD1-CB 4.2Å; L358-L622 HydrophobicContact CD1-CD1 4.38Å; A610-L622 WeakPolarHBondContact CA-O 3.44Å; G611-L622 PolarHBondContact N-O 2.98Å; G611-L622 PolarHBondContact O-N 2.74Å; L622-V624 HydrophobicContact CD1-CG2 4.16Å; L622-V624 HydrophobicContact CD2-CG2 4.09Å; L622-V624 HydrophobicContact CG-CG2 4.01Å; L622-F644 HydrophobicContact CB-CD2 4.06Å; L622-F644 HydrophobicContact CB-CE2 3.59Å; L622-F644 HydrophobicContact CB-CZ 4.23Å; L622-F644 HydrophobicContact CD2-CB 4.44Å; L622-F644 HydrophobicContact CD2-CD2 3.64Å; L622-F644 HydrophobicContact CD2-CE2 3.92Å; L622-F644 HydrophobicContact CD2-CG 3.98Å; L622-F644 HydrophobicContact CD2-CZ 4.45Å; L622-F644 HydrophobicContact CG-CD2 3.82Å; L622-F644 HydrophobicContact CG-CE2 3.91Å; L622-F644 WeakPolarHBondContact O-CE2 3.36Å; L622-I647 HydrophobicContact CD1-CG2 4.04Å; L622-I647 HydrophobicContact CD2-CB 3.83Å; L622-I647 HydrophobicContact CD2-CG2 3.6Å; L622-M648 HydrophobicContact CB-CE 3.55Å; L622-M648 HydrophobicContact CD2-CB 4.08Å; L622-M648 HydrophobicContact CD2-CE 4.4Å
623	V	98.8	Very high	97.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130	166.8	171.6	0	0	0	0	108.2	A356 V357 L522 A523 A610 V625	A356-V623 VanDerWaalsContact CA-O 3.24Å; A356-V623 WeakPolarHBondContact CA-O 3.26Å; V357-V623 PolarHBondContact N-O 3.49Å; V357-V623 PolarHBondContact O-N 3.5Å; L522-V623 HydrophobicContact CB-CG1 4.44Å; L522-V623 HydrophobicContact CB-CG2 4.19Å; L522-V623 HydrophobicContact CD2-CG1 3.96Å; L522-V623 HydrophobicContact CD2-CG2 4.32Å; L522-V623 HydrophobicContact CG-CG1 4.34Å; L522-V623 HydrophobicContact CG-CG2 3.91Å; A523-V623 HydrophobicContact CB-CB 4.31Å; A523-V623 HydrophobicContact CB-CG2 3.91Å; A610-V623 HydrophobicContact CB-CG2 3.79Å; V623-V625 HydrophobicContact CG1-CG2 3.93Å
624	V	98.8	Very high	96.9	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.7	170.8	-177.5	0	0	0	0	109	L342 A356 Y608 T609 L622 I626 V643 F644 I647	L342-V624 HydrophobicContact CD1-CG1 4.37Å; A356-V624 HydrophobicContact CB-CG2 4.45Å; Y608-V624 CarbonylContact C-O 3.6Å; Y608-V624 WeakPolarHBondContact CA-O 3.34Å; Y608-V624 VanDerWaalsContact CB-O 3.28Å; Y608-V624 WeakPolarHBondContact CB-O 3.47Å; T609-V624 PolarHBondContact N-O 3.22Å; T609-V624 PolarHBondContact O-N 2.95Å; L622-V624 HydrophobicContact CD1-CG2 4.16Å; L622-V624 HydrophobicContact CD2-CG2 4.09Å; L622-V624 HydrophobicContact CG-CG2 4.01Å; V624-I626 HydrophobicContact CG1-CD1 4.21Å; V624-I626 HydrophobicContact CG1-CG1 4.34Å; V624-V643 HydrophobicContact CG1-CB 3.94Å; V624-V643 HydrophobicContact CG1-CG1 3.8Å; V624-V643 HydrophobicContact CG2-CG1 4.45Å; V624-F644 HydrophobicContact CG2-CB 4.28Å; V624-I647 HydrophobicContact CG2-CD1 4.09Å
625	V	98.5	Very high	96.7	Very high	9 Å²	9	42 Å²	42	6%	0.055	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.9	176.3	-175.1	0	0	0	0	108.6	G354 S355 F397 P519 I606 V623	G354-V625 CarbonylContact C-O 3.28Å; G354-V625 WeakPolarHBondContact CA-O 3.38Å; S355-V625 PolarHBondContact N-O 3.29Å; S355-V625 PolarHBondContact O-N 3.07Å; F397-V625 HydrophobicContact CE1-CG2 4.25Å; F397-V625 HydrophobicContact CZ-CG2 4.04Å; P519-V625 HydrophobicContact CB-CG2 4.13Å; P519-V625 HydrophobicContact CG-CG2 4.08Å; I606-V625 HydrophobicContact CG2-CG1 3.46Å; I606-V625 VanDerWaalsContact CG2-CG1 3.46Å; V623-V625 HydrophobicContact CG1-CG2 3.93Å
626	I	98.4	Very high	96.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	112.3	172.5	-54.7	-61.7	0	0	0	107.1	L342 A345 V346 A351 A607 V624 P629 V639	L342-I626 HydrophobicContact CD1-CD1 3.86Å; A345-I626 HydrophobicContact CB-CD1 4.13Å; V346-I626 HydrophobicContact CG2-CD1 4.45Å; A351-I626 HydrophobicContact CB-CG2 3.55Å; A607-I626 HydrophobicContact CB-CB 4.48Å; A607-I626 PolarHBondContact N-O 2.89Å; A607-I626 PolarHBondContact O-N 3.45Å; V624-I626 HydrophobicContact CG1-CD1 4.21Å; V624-I626 HydrophobicContact CG1-CG1 4.34Å; I626-P629 HydrophobicContact CG2-CB 4.19Å; I626-V639 HydrophobicContact CB-CG1 3.77Å; I626-V639 HydrophobicContact CG1-CG1 4.01Å; I626-V639 HydrophobicContact CG2-CG1 3.63Å
627	N	97	Very high	96.3	Very high	17 Å²	17	40 Å²	40	9%	0.091	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.1	-174.5	172.5	35.9	0	0	0	110.5	E352 S353 K594	E352-N627 PolarHBondContact N-O 3.43Å; E352-N627 PolarHBondContact OE1-ND2 3.1Å; S353-N627 PolarHBondContact N-O 3.4Å; S353-N627 PolarHBondContact O-N 2.89Å; S353-N627 PolarHBondContact OG-ND2 3.34Å; K594-N627 WeakPolarHBondContact CD-OD1 3.45Å; K594-N627 WeakPolarHBondContact CE-OD1 3.39Å; K594-N627 PolarHBondContact NZ-ND2 3.07Å; K594-N627 PolarHBondContact NZ-OD1 2.92Å
628	D	96.6	Very high	96.3	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.053	19%	0.191	C	C	.	.	S	Bend	trans	50	61	178.8	-162.7	36.8	0	0	0	114.2	A351 E352 K594 K604 Y605 Q630	A351-D628 WeakPolarHBondContact CA-O 3.38Å; E352-D628 HydrophobicContact CB-CB 3.89Å; E352-D628 PolarHBondContact N-O 3.41Å; K594-D628 HydrophobicContact CD-CB 4.32Å; K604-D628 VanDerWaalsContact CB-OD1 3.29Å; K604-D628 WeakPolarHBondContact CB-OD1 3.39Å; K604-D628 VanDerWaalsContact CD-OD2 3.32Å; K604-D628 WeakPolarHBondContact CD-OD2 3.25Å; K604-D628 VanDerWaalsContact CE-OD2 3.29Å; K604-D628 WeakPolarHBondContact CE-OD2 3.29Å; K604-D628 WeakPolarHBondContact CG-OD1 3.4Å; K604-D628 IonicContact NZ-OD2 3.13Å; K604-D628 PolarHBondContact NZ-OD2 3.43Å; Y605-D628 WeakPolarHBondContact O-CA 3.37Å; Y605-D628 PolarHBondContact O-N 3.45Å; D628-Q630 WeakPolarHBondContact O-CG 3.03Å; D628-Q630 PolarHBondContact OD2-NE2 2.6Å
629	P	97.3	Very high	96.3	Very high	11 Å²	11	34.7 Å²	34.7	7%	0.071	19%	0.189	C	C	.	.			trans	-67.5	132.4	173.1	30.2	-35.5	0	0	0	111.5	N349 A351 Y605 A607 I626 V639	N349-P629 HydrophobicContact CB-CB 3.99Å; A351-P629 HydrophobicContact CB-CB 4.46Å; Y605-P629 WeakPolarHBondContact O-CD 3.4Å; A607-P629 HydrophobicContact CB-CG 4.48Å; I626-P629 HydrophobicContact CG2-CB 4.19Å; P629-V639 HydrophobicContact CB-CG1 3.99Å; P629-V639 HydrophobicContact CB-CG2 4.35Å; P629-V639 HydrophobicContact CG-CG1 4.15Å; P629-V639 HydrophobicContact CG-CG2 4.28Å
630	Q	96	Very high	96.3	Very high	120 Å²	120	30.5 Å²	30.5	56%	0.561	17%	0.173	S	C	*	.			trans	-116.5	1.1	-172	-57.3	178.9	-13.9	0	0	114	N349 K350 D628 G632	N349-Q630 PolarHBondContact O-N 2.84Å; K350-Q630 HydrophobicContact CB-CB 4.19Å; K350-Q630 WeakPolarHBondContact O-CB 3.36Å; K350-Q630 WeakPolarHBondContact O-CG 3.44Å; K350-Q630 PolarHBondContact O-N 3.1Å; D628-Q630 WeakPolarHBondContact O-CG 3.03Å; D628-Q630 PolarHBondContact OD2-NE2 2.6Å; Q630-G632 PolarHBondContact O-N 2.9Å
631	A	94.6	Very high	96.2	Very high	46 Å²	46	30.3 Å²	30.3	38%	0.38	17%	0.173	S	C	.	.	S	Bend	trans	-81.3	33.7	178.6	0	0	0	0	0	114.5	N349 K633	N349-A631 WeakPolarHBondContact O-CB 3.05Å; N349-A631 PolarHBondContact O-N 3.38Å; A631-K633 VanDerWaalsContact C-N 3.3Å; A631-K633 PolarHBondContact O-N 2.99Å
632	G	91.7	Very high	96.2	Very high	74 Å²	74	32.6 Å²	32.6	76%	0.763	19%	0.187	S	C	*	.	S	Bend	trans	79.1	-2.9	175.4	0	0	0	0	0	116.4	Q630	Q630-G632 PolarHBondContact O-N 2.9Å
633	K	92.8	Very high	96.2	Very high	120 Å²	120	33.1 Å²	33.1	52%	0.522	19%	0.19	S	C	.	.			trans	-128.6	138.4	173.6	-63.5	177.5	-173.1	171.5	0	109.6	A631 A638 V639	A631-K633 VanDerWaalsContact C-N 3.3Å; A631-K633 PolarHBondContact O-N 2.99Å; K633-A638 HydrophobicContact CB-CB 4.23Å; K633-A638 HydrophobicContact CD-CB 4.19Å; K633-V639 HydrophobicContact CB-CG2 4.08Å; K633-V639 VanDerWaalsContact O-CG2 3.26Å; K633-V639 WeakPolarHBondContact O-CG2 3.42Å
634	Y	93	Very high	96.2	Very high	74 Å²	74	33.1 Å²	33.1	29%	0.29	19%	0.19	S	C	.	.			trans	-133.4	-7.3	-179.4	60.7	-100.1	0	0	0	114.6	T591 Y605 A607	T591-Y634 HydrophobicContact CG2-CD2 3.93Å; T591-Y634 HydrophobicContact CG2-CE2 4.46Å; Y605-Y634 AromaticContact CD1-CD2 3.77Å; Y605-Y634 HydrophobicContact CD1-CD2 3.77Å; Y605-Y634 HydrophobicContact CD1-CE2 4.05Å; Y605-Y634 HydrophobicContact CD1-CG 4.41Å; Y605-Y634 HydrophobicContact CD2-CD1 4.27Å; Y605-Y634 HydrophobicContact CD2-CD2 4.08Å; Y605-Y634 AromaticContact CD2-CG 3.9Å; Y605-Y634 HydrophobicContact CD2-CG 3.9Å; Y605-Y634 HydrophobicContact CE1-CD2 4.16Å; Y605-Y634 AromaticContact CE1-CE2 3.98Å; Y605-Y634 HydrophobicContact CE1-CE2 3.98Å; Y605-Y634 HydrophobicContact CE2-CD1 4.42Å; Y605-Y634 HydrophobicContact CE2-CD2 4.47Å; Y605-Y634 HydrophobicContact CE2-CG 4.4Å; Y605-Y634 AromaticContact CG-CD2 3.74Å; Y605-Y634 HydrophobicContact CG-CD2 3.74Å; Y605-Y634 HydrophobicContact CG-CE2 4.38Å; Y605-Y634 AromaticContact CG-CG 3.93Å; Y605-Y634 HydrophobicContact CG-CG 3.93Å; A607-Y634 WeakPolarHBondContact CB-O 3.43Å
635	Y	94.3	Very high	96.2	Very high	111 Å²	111	33.5 Å²	33.5	44%	0.435	20%	0.195	S	C	.	.			trans	-71.8	140.1	178.3	-70.1	-71.5	0	0	0	111.6	T591 G637 A638 V639	T591-Y635 HydrophobicContact CG2-CD1 4.31Å; T591-Y635 WeakPolarHBondContact OG1-CA 3.43Å; Y635-G637 VanDerWaalsContact C-N 3.26Å; Y635-G637 PolarHBondContact O-N 3.06Å; Y635-A638 WeakPolarHBondContact O-CA 3.32Å; Y635-A638 PolarHBondContact O-N 3.44Å; Y635-V639 PolarHBondContact O-N 3.34Å
636	G	91.9	Very high	96.2	Very high	1 Å²	1	35 Å²	35	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-51.8	-43.6	177.7	0	0	0	0	0	112.8	G590 T591 A638 V639 S640 A641	G590-G636 WeakPolarHBondContact O-CA 3.48Å; T591-G636 PolarHBondContact OG1-N 3.47Å; G636-A638 PolarHBondContact O-N 3.43Å; G636-V639 PolarHBondContact O-N 3.42Å; G636-S640 WeakPolarHBondContact CA-OG 3.21Å; G636-S640 PolarHBondContact O-N 3.09Å; G636-S640 PolarHBondContact O-OG 3.24Å; G636-S640 VanDerWaalsContact O-OG 3.07Å; G636-A641 WeakPolarHBondContact O-CB 3.47Å; G636-A641 PolarHBondContact O-N 3.28Å
637	G	94.1	Very high	96.2	Very high	15 Å²	15	35 Å²	35	16%	0.155	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-26	175.9	0	0	0	0	0	115.6	G574 Y635	G574-G637 WeakPolarHBondContact O-CA 3.21Å; Y635-G637 VanDerWaalsContact C-N 3.26Å; Y635-G637 PolarHBondContact O-N 3.06Å
638	A	95.3	Very high	96.3	Very high	29 Å²	29	34.1 Å²	34.1	24%	0.24	20%	0.203	C	C	.	.	H	α-helix	trans	-94.4	-32	-180	0	0	0	0	0	112.8	K633 Y635 G636	K633-A638 HydrophobicContact CB-CB 4.23Å; K633-A638 HydrophobicContact CD-CB 4.19Å; Y635-A638 WeakPolarHBondContact O-CA 3.32Å; Y635-A638 PolarHBondContact O-N 3.44Å; G636-A638 PolarHBondContact O-N 3.43Å
639	V	97.7	Very high	96.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-106.8	-58.7	-168.7	176.8	0	0	0	0	112.3	N349 A607 I626 P629 K633 Y635 G636 P642 V643	N349-V639 HydrophobicContact CB-CG1 4.45Å; A607-V639 HydrophobicContact CB-CB 3.88Å; A607-V639 HydrophobicContact CB-CG1 3.98Å; I626-V639 HydrophobicContact CB-CG1 3.77Å; I626-V639 HydrophobicContact CG1-CG1 4.01Å; I626-V639 HydrophobicContact CG2-CG1 3.63Å; P629-V639 HydrophobicContact CB-CG1 3.99Å; P629-V639 HydrophobicContact CB-CG2 4.35Å; P629-V639 HydrophobicContact CG-CG1 4.15Å; P629-V639 HydrophobicContact CG-CG2 4.28Å; K633-V639 HydrophobicContact CB-CG2 4.08Å; K633-V639 VanDerWaalsContact O-CG2 3.26Å; K633-V639 WeakPolarHBondContact O-CG2 3.42Å; Y635-V639 PolarHBondContact O-N 3.34Å; G636-V639 PolarHBondContact O-N 3.42Å; V639-P642 WeakPolarHBondContact O-CG 3.39Å; V639-V643 WeakPolarHBondContact O-CG2 3.46Å
640	S	98.2	Very high	96.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-91.1	-27.6	-173.2	56.7	0	0	0	0	113.8	Y608 T609 G636 V643 F644	Y608-S640 WeakPolarHBondContact CA-OG 3.47Å; Y608-S640 PolarHBondContact N-OG 2.92Å; Y608-S640 PolarHBondContact O-OG 2.81Å; T609-S640 PolarHBondContact N-OG 3.29Å; T609-S640 PolarHBondContact OG1-OG 2.83Å; G636-S640 WeakPolarHBondContact CA-OG 3.21Å; G636-S640 PolarHBondContact O-N 3.09Å; G636-S640 PolarHBondContact O-OG 3.24Å; G636-S640 VanDerWaalsContact O-OG 3.07Å; S640-V643 WeakPolarHBondContact O-CB 3.16Å; S640-V643 PolarHBondContact O-N 3.36Å; S640-F644 PolarHBondContact O-N 3.38Å
641	A	98.4	Very high	96.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.6	-46.2	175.8	0	0	0	0	0	114.3	K577 A578 T589 T609 G636 V643 F644 G645	K577-A641 HydrophobicContact CB-CB 4.49Å; A578-A641 VanDerWaalsContact CA-O 3.27Å; A578-A641 WeakPolarHBondContact CA-O 3.42Å; A578-A641 HydrophobicContact CB-CB 4.07Å; A578-A641 WeakPolarHBondContact CB-O 3.48Å; T589-A641 HydrophobicContact CG2-CB 4.23Å; T609-A641 WeakPolarHBondContact OG1-CA 3.4Å; T609-A641 PolarHBondContact OG1-N 3.48Å; T609-A641 VanDerWaalsContact OG1-N 3.1Å; G636-A641 WeakPolarHBondContact O-CB 3.47Å; G636-A641 PolarHBondContact O-N 3.28Å; A641-V643 VanDerWaalsContact C-N 3.25Å; A641-V643 PolarHBondContact O-N 2.94Å; A641-F644 WeakPolarHBondContact O-CB 3.47Å; A641-F644 PolarHBondContact O-N 3.18Å; A641-G645 PolarHBondContact O-N 2.95Å
642	P	98.3	Very high	96.7	Very high	47 Å²	47	25.5 Å²	25.5	31%	0.305	16%	0.155	S	C	.	.	H	α-helix	trans	-61.4	-34.7	175.4	22.8	-33.2	0	0	0	112.9	K577 V639 G645 A646	K577-P642 HydrophobicContact CB-CB 4.16Å; K577-P642 HydrophobicContact CB-CG 4.49Å; K577-P642 HydrophobicContact CD-CG 4.46Å; K577-P642 WeakPolarHBondContact O-CA 3.41Å; V639-P642 WeakPolarHBondContact O-CG 3.39Å; P642-G645 PolarHBondContact O-N 2.92Å; P642-A646 WeakPolarHBondContact O-CB 3.32Å; P642-A646 PolarHBondContact O-N 2.77Å
643	V	98.6	Very high	97	Very high	11 Å²	11	29.5 Å²	29.5	7%	0.067	15%	0.147	C	C	.	.	H	α-helix	trans	-67.8	-42.2	177.2	-169.5	0	0	0	0	110.5	A345 V624 V639 S640 A641 G645 A646 I647	A345-V643 HydrophobicContact CB-CB 4.34Å; A345-V643 HydrophobicContact CB-CG1 4.03Å; A345-V643 HydrophobicContact CB-CG2 3.32Å; V624-V643 HydrophobicContact CG1-CB 3.94Å; V624-V643 HydrophobicContact CG1-CG1 3.8Å; V624-V643 HydrophobicContact CG2-CG1 4.45Å; V639-V643 WeakPolarHBondContact O-CG2 3.46Å; S640-V643 WeakPolarHBondContact O-CB 3.16Å; S640-V643 PolarHBondContact O-N 3.36Å; A641-V643 VanDerWaalsContact C-N 3.25Å; A641-V643 PolarHBondContact O-N 2.94Å; V643-G645 VanDerWaalsContact C-N 3.33Å; V643-G645 PolarHBondContact O-N 3.41Å; V643-A646 PolarHBondContact O-N 3.06Å; V643-I647 HydrophobicContact CG1-CD1 3.84Å; V643-I647 HydrophobicContact CG1-CG1 4.43Å; V643-I647 WeakPolarHBondContact O-CB 3.16Å; V643-I647 WeakPolarHBondContact O-CG1 3.2Å; V643-I647 PolarHBondContact O-N 3.29Å
644	F	98.8	Very high	97.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-55.7	-49.6	172.1	-179	-74.7	0	0	0	110.9	A578 I585 I587 T609 L622 V624 S640 A641 A646 I647 M648	A578-F644 HydrophobicContact CB-CD1 4.07Å; I585-F644 HydrophobicContact CG2-CE1 3.77Å; I587-F644 HydrophobicContact CG2-CD1 3.86Å; I587-F644 HydrophobicContact CG2-CD2 4.37Å; I587-F644 HydrophobicContact CG2-CE1 3.41Å; I587-F644 VanDerWaalsContact CG2-CE1 3.41Å; I587-F644 HydrophobicContact CG2-CE2 3.93Å; I587-F644 HydrophobicContact CG2-CG 4.35Å; I587-F644 HydrophobicContact CG2-CZ 3.46Å; I587-F644 VanDerWaalsContact CG2-CZ 3.46Å; T609-F644 HydrophobicContact CG2-CB 3.84Å; T609-F644 HydrophobicContact CG2-CD2 3.87Å; T609-F644 HydrophobicContact CG2-CG 3.87Å; L622-F644 HydrophobicContact CB-CD2 4.06Å; L622-F644 HydrophobicContact CB-CE2 3.59Å; L622-F644 HydrophobicContact CB-CZ 4.23Å; L622-F644 HydrophobicContact CD2-CB 4.44Å; L622-F644 HydrophobicContact CD2-CD2 3.64Å; L622-F644 HydrophobicContact CD2-CE2 3.92Å; L622-F644 HydrophobicContact CD2-CG 3.98Å; L622-F644 HydrophobicContact CD2-CZ 4.45Å; L622-F644 HydrophobicContact CG-CD2 3.82Å; L622-F644 HydrophobicContact CG-CE2 3.91Å; L622-F644 WeakPolarHBondContact O-CE2 3.36Å; V624-F644 HydrophobicContact CG2-CB 4.28Å; S640-F644 PolarHBondContact O-N 3.38Å; A641-F644 WeakPolarHBondContact O-CB 3.47Å; A641-F644 PolarHBondContact O-N 3.18Å; F644-A646 PolarHBondContact O-N 3.27Å; F644-I647 PolarHBondContact O-N 2.71Å; F644-M648 HydrophobicContact CD1-CB 4.26Å; F644-M648 HydrophobicContact CE1-CB 3.92Å; F644-M648 HydrophobicContact CE1-CE 4.48Å; F644-M648 HydrophobicContact CE1-CG 4.15Å; F644-M648 HydrophobicContact CE2-CE 4.48Å; F644-M648 HydrophobicContact CZ-CB 4.42Å; F644-M648 HydrophobicContact CZ-CE 3.89Å; F644-M648 HydrophobicContact CZ-CG 4.47Å; F644-M648 VanDerWaalsContact O-CB 3.23Å; F644-M648 WeakPolarHBondContact O-CB 3.44Å; F644-M648 PolarHBondContact O-N 2.9Å
645	G	98.5	Very high	97.4	Very high	9 Å²	9	25.4 Å²	25.4	9%	0.093	14%	0.136	C	C	.	.	H	α-helix	trans	-61.4	-43.9	180	0	0	0	0	0	112.8	A641 P642 V643 G649	A641-G645 PolarHBondContact O-N 2.95Å; P642-G645 PolarHBondContact O-N 2.92Å; V643-G645 VanDerWaalsContact C-N 3.33Å; V643-G645 PolarHBondContact O-N 3.41Å; G645-G649 PolarHBondContact O-N 2.82Å
646	A	98.6	Very high	97.5	Very high	39 Å²	39	27.1 Å²	27.1	32%	0.322	15%	0.153	S	C	.	.	H	α-helix	trans	-62.9	-48.1	178.2	0	0	0	0	0	112.3	E341 P642 V643 F644 G650	E341-A646 HydrophobicContact CG-CB 4.14Å; P642-A646 WeakPolarHBondContact O-CB 3.32Å; P642-A646 PolarHBondContact O-N 2.77Å; V643-A646 PolarHBondContact O-N 3.06Å; F644-A646 PolarHBondContact O-N 3.27Å; A646-G650 PolarHBondContact O-N 3.31Å; A646-G650 VanDerWaalsContact O-N 3.14Å
647	I	98.8	Very high	97.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.4	-58.4	178.2	-68.5	172.3	0	0	0	110.2	V338 E341 A356 L622 V624 V643 F644 G649 G650 V651	V338-I647 HydrophobicContact CG1-CD1 4.27Å; V338-I647 HydrophobicContact CG2-CG2 3.59Å; E341-I647 HydrophobicContact CB-CD1 4.21Å; E341-I647 HydrophobicContact CB-CG1 3.56Å; E341-I647 HydrophobicContact CG-CG1 3.97Å; A356-I647 HydrophobicContact CB-CD1 4.3Å; L622-I647 HydrophobicContact CD1-CG2 4.04Å; L622-I647 HydrophobicContact CD2-CB 3.83Å; L622-I647 HydrophobicContact CD2-CG2 3.6Å; V624-I647 HydrophobicContact CG2-CD1 4.09Å; V643-I647 HydrophobicContact CG1-CD1 3.84Å; V643-I647 HydrophobicContact CG1-CG1 4.43Å; V643-I647 WeakPolarHBondContact O-CB 3.16Å; V643-I647 WeakPolarHBondContact O-CG1 3.2Å; V643-I647 PolarHBondContact O-N 3.29Å; F644-I647 PolarHBondContact O-N 2.71Å; I647-G649 VanDerWaalsContact C-N 3.28Å; I647-G649 PolarHBondContact O-N 2.95Å; I647-G650 PolarHBondContact O-N 2.91Å; I647-V651 HydrophobicContact CG2-CG2 4.16Å; I647-V651 VanDerWaalsContact O-CG2 3.31Å; I647-V651 WeakPolarHBondContact O-CG2 3.31Å; I647-V651 PolarHBondContact O-N 3.16Å
648	M	98.8	Very high	97.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.8	-37	-173.9	-176.5	64.7	80.9	0	0	111.2	I580 A613 F620 L622 F644 G650 V651 L652	I580-M648 HydrophobicContact CD1-CB 3.71Å; I580-M648 HydrophobicContact CD1-CG 3.79Å; A613-M648 HydrophobicContact CB-CE 4.18Å; A613-M648 HydrophobicContact CB-CG 3.63Å; A613-M648 HydrophobicContact CB-SD 3.83Å; F620-M648 HydrophobicContact CB-CE 3.93Å; F620-M648 HydrophobicContact CB-SD 3.92Å; F620-M648 HydrophobicContact CD2-SD 4.43Å; L622-M648 HydrophobicContact CB-CE 3.55Å; L622-M648 HydrophobicContact CD2-CB 4.08Å; L622-M648 HydrophobicContact CD2-CE 4.4Å; F644-M648 HydrophobicContact CD1-CB 4.26Å; F644-M648 HydrophobicContact CE1-CB 3.92Å; F644-M648 HydrophobicContact CE1-CE 4.48Å; F644-M648 HydrophobicContact CE1-CG 4.15Å; F644-M648 HydrophobicContact CE2-CE 4.48Å; F644-M648 HydrophobicContact CZ-CB 4.42Å; F644-M648 HydrophobicContact CZ-CE 3.89Å; F644-M648 HydrophobicContact CZ-CG 4.47Å; F644-M648 VanDerWaalsContact O-CB 3.23Å; F644-M648 WeakPolarHBondContact O-CB 3.44Å; F644-M648 PolarHBondContact O-N 2.9Å; M648-G650 VanDerWaalsContact C-N 3.35Å; M648-G650 PolarHBondContact O-N 3.46Å; M648-V651 PolarHBondContact O-N 2.65Å; M648-L652 HydrophobicContact CG-CD1 4.01Å; M648-L652 HydrophobicContact CG-CG 4.31Å; M648-L652 WeakPolarHBondContact O-CB 3.48Å; M648-L652 VanDerWaalsContact O-CG 3.24Å; M648-L652 WeakPolarHBondContact O-CG 3.32Å; M648-L652 PolarHBondContact O-N 2.92Å; M648-L652 HydrophobicContact SD-CG 4.32Å
649	G	98.4	Very high	97.9	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-39.8	174.8	0	0	0	0	0	112.6	G645 I647 R653	G645-G649 PolarHBondContact O-N 2.82Å; I647-G649 VanDerWaalsContact C-N 3.28Å; I647-G649 PolarHBondContact O-N 2.95Å; G649-R653 WeakPolarHBondContact O-CG 3.49Å; G649-R653 PolarHBondContact O-N 3.25Å; G649-R653 PolarHBondContact O-NH1 2.68Å
650	G	98.4	Very high	97.8	Very high	3 Å²	3	38.7 Å²	38.7	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-68.2	-38	173.4	0	0	0	0	0	113.1	L337 A646 I647 M648 T654	L337-G650 VanDerWaalsContact CD2-C 3.42Å; A646-G650 PolarHBondContact O-N 3.31Å; A646-G650 VanDerWaalsContact O-N 3.14Å; I647-G650 PolarHBondContact O-N 2.91Å; M648-G650 VanDerWaalsContact C-N 3.35Å; M648-G650 PolarHBondContact O-N 3.46Å; G650-T654 VanDerWaalsContact O-CB 3.32Å; G650-T654 WeakPolarHBondContact O-CB 3.35Å; G650-T654 PolarHBondContact O-N 3.1Å; G650-T654 PolarHBondContact O-OG1 2.56Å
651	V	98.7	Very high	97.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-51.2	176.1	172.8	0	0	0	0	110.6	L334 L337 L358 F620 I647 M648 R653 T654 M655	L334-V651 HydrophobicContact CD2-CB 4.43Å; L334-V651 HydrophobicContact CD2-CG1 4.38Å; L334-V651 HydrophobicContact CD2-CG2 4.19Å; L337-V651 HydrophobicContact CD2-CG2 4.18Å; L358-V651 HydrophobicContact CD1-CG1 4.4Å; L358-V651 HydrophobicContact CD1-CG2 4.25Å; L358-V651 HydrophobicContact CD2-CB 4.49Å; L358-V651 HydrophobicContact CD2-CG1 4.04Å; L358-V651 HydrophobicContact CD2-CG2 3.56Å; F620-V651 HydrophobicContact CD1-CG1 4.37Å; F620-V651 HydrophobicContact CD2-CG1 3.65Å; F620-V651 HydrophobicContact CE1-CG1 4.48Å; F620-V651 HydrophobicContact CE2-CG1 3.74Å; F620-V651 HydrophobicContact CG-CG1 3.97Å; F620-V651 HydrophobicContact CZ-CG1 4.2Å; I647-V651 HydrophobicContact CG2-CG2 4.16Å; I647-V651 VanDerWaalsContact O-CG2 3.31Å; I647-V651 WeakPolarHBondContact O-CG2 3.31Å; I647-V651 PolarHBondContact O-N 3.16Å; M648-V651 PolarHBondContact O-N 2.65Å; V651-R653 VanDerWaalsContact C-N 3.3Å; V651-R653 PolarHBondContact O-N 3.01Å; V651-T654 PolarHBondContact O-N 3.3Å; V651-T654 VanDerWaalsContact O-N 3.16Å; V651-M655 HydrophobicContact CG1-CG 4.24Å; V651-M655 WeakPolarHBondContact O-CB 3.48Å; V651-M655 WeakPolarHBondContact O-CG 3.48Å; V651-M655 PolarHBondContact O-N 3.48Å
652	L	98.5	Very high	96.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.5	-41.9	-179	-68.7	166.9	0	0	0	111.8	I580 Y583 I585 A613 P614 F620 M648 N656 I657	I580-L652 HydrophobicContact CD1-CD1 4.21Å; Y583-L652 HydrophobicContact CD1-CD1 3.78Å; Y583-L652 HydrophobicContact CD1-CD2 4.45Å; Y583-L652 HydrophobicContact CD2-CD1 3.98Å; Y583-L652 HydrophobicContact CE1-CB 4.09Å; Y583-L652 HydrophobicContact CE1-CD1 4.07Å; Y583-L652 HydrophobicContact CE1-CD2 4.28Å; Y583-L652 HydrophobicContact CE1-CG 4.38Å; Y583-L652 HydrophobicContact CE2-CB 4.17Å; Y583-L652 HydrophobicContact CE2-CD1 4.26Å; Y583-L652 HydrophobicContact CG-CD1 3.71Å; I585-L652 HydrophobicContact CD1-CD1 4.45Å; A613-L652 HydrophobicContact CB-CD1 4.03Å; A613-L652 HydrophobicContact CB-CD2 4.41Å; P614-L652 HydrophobicContact CG-CD2 4.06Å; F620-L652 HydrophobicContact CD2-CD2 4.11Å; F620-L652 HydrophobicContact CE2-CD2 4.34Å; M648-L652 HydrophobicContact CG-CD1 4.01Å; M648-L652 HydrophobicContact CG-CG 4.31Å; M648-L652 WeakPolarHBondContact O-CB 3.48Å; M648-L652 VanDerWaalsContact O-CG 3.24Å; M648-L652 WeakPolarHBondContact O-CG 3.32Å; M648-L652 PolarHBondContact O-N 2.92Å; M648-L652 HydrophobicContact SD-CG 4.32Å; L652-N656 PolarHBondContact O-N 2.72Å; L652-I657 HydrophobicContact CB-CB 4.43Å; L652-I657 HydrophobicContact CD2-CB 3.81Å; L652-I657 HydrophobicContact CD2-CG1 3.88Å; L652-I657 HydrophobicContact CD2-CG2 3.87Å; L652-I657 PolarHBondContact O-N 2.94Å
653	R	97.5	Very high	95.5	Very high	159 Å²	159	45.9 Å²	45.9	60%	0.6	25%	0.249	S	C	*	.	H	α-helix	trans	-66.5	-46.6	174	-71.1	-169.5	-57.3	-87.5	1.7	112.6	G649 V651 M655 N656	G649-R653 WeakPolarHBondContact O-CG 3.49Å; G649-R653 PolarHBondContact O-N 3.25Å; G649-R653 PolarHBondContact O-NH1 2.68Å; V651-R653 VanDerWaalsContact C-N 3.3Å; V651-R653 PolarHBondContact O-N 3.01Å; R653-M655 PolarHBondContact O-N 3.39Å; R653-N656 PolarHBondContact O-N 3Å; R653-N656 PolarHBondContact O-OD1 2.73Å
654	T	97.5	Very high	93.8	Very high	47 Å²	47	52 Å²	52	29%	0.288	29%	0.287	S	S	.	.	H	α-helix	trans	-64.7	-31.7	-178	-56.1	0	0	0	0	112	L334 G650 V651	L334-T654 HydrophobicContact CD2-CG2 3.75Å; G650-T654 VanDerWaalsContact O-CB 3.32Å; G650-T654 WeakPolarHBondContact O-CB 3.35Å; G650-T654 PolarHBondContact O-N 3.1Å; G650-T654 PolarHBondContact O-OG1 2.56Å; V651-T654 PolarHBondContact O-N 3.3Å; V651-T654 VanDerWaalsContact O-N 3.16Å
655	M	97.1	Very high	91.9	Very high	60 Å²	60	54.9 Å²	54.9	30%	0.296	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	7.2	179.9	-62.6	-61.6	-68.7	0	0	113.2	L334 F620 V651 R653 I657	L334-M655 HydrophobicContact CD1-CG 4.2Å; L334-M655 HydrophobicContact CD1-SD 3.96Å; L334-M655 HydrophobicContact CD2-CG 4.35Å; F620-M655 HydrophobicContact CE1-CG 4.48Å; F620-M655 HydrophobicContact CE2-CB 4.04Å; F620-M655 HydrophobicContact CE2-CG 4.16Å; F620-M655 HydrophobicContact CZ-CB 3.79Å; F620-M655 HydrophobicContact CZ-CE 4.17Å; F620-M655 HydrophobicContact CZ-CG 3.67Å; V651-M655 HydrophobicContact CG1-CG 4.24Å; V651-M655 WeakPolarHBondContact O-CB 3.48Å; V651-M655 WeakPolarHBondContact O-CG 3.48Å; V651-M655 PolarHBondContact O-N 3.48Å; R653-M655 PolarHBondContact O-N 3.39Å; M655-I657 VanDerWaalsContact C-N 3.27Å; M655-I657 HydrophobicContact CB-CD1 4.2Å; M655-I657 HydrophobicContact CB-CG1 4.08Å; M655-I657 PolarHBondContact O-N 2.87Å
656	N	96.7	Very high	89.8	Confident	148 Å²	148	58.5 Å²	58.5	79%	0.791	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	42.6	179.4	-59.3	-36.8	0	0	0	113.5	L652 R653	L652-N656 PolarHBondContact O-N 2.72Å; R653-N656 PolarHBondContact O-N 3Å; R653-N656 PolarHBondContact O-OD1 2.73Å
657	I	97.4	Very high	87.4	Confident	34 Å²	34	64.1 Å²	64.1	17%	0.174	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-77.3	131.8	178.1	-57.1	-53.4	0	0	0	110.1	Y583 P614 R619 F620 L652 M655	Y583-I657 HydrophobicContact CE1-CB 4.41Å; Y583-I657 HydrophobicContact CE1-CG2 4.24Å; Y583-I657 WeakPolarHBondContact CE1-O 3.49Å; Y583-I657 PolarHBondContact OH-O 3.28Å; P614-I657 HydrophobicContact CG-CG2 3.45Å; P614-I657 VanDerWaalsContact CG-CG2 3.45Å; R619-I657 HydrophobicContact CG-CD1 4.25Å; F620-I657 HydrophobicContact CE2-CD1 4.03Å; F620-I657 HydrophobicContact CE2-CG1 3.69Å; F620-I657 HydrophobicContact CZ-CD1 4.29Å; F620-I657 HydrophobicContact CZ-CG1 4.38Å; L652-I657 HydrophobicContact CB-CB 4.43Å; L652-I657 HydrophobicContact CD2-CB 3.81Å; L652-I657 HydrophobicContact CD2-CG1 3.88Å; L652-I657 HydrophobicContact CD2-CG2 3.87Å; L652-I657 PolarHBondContact O-N 2.94Å; M655-I657 VanDerWaalsContact C-N 3.27Å; M655-I657 HydrophobicContact CB-CD1 4.2Å; M655-I657 HydrophobicContact CB-CG1 4.08Å; M655-I657 PolarHBondContact O-N 2.87Å
658	E	95.5	Very high	84.6	Confident	166 Å²	166	74.3 Å²	74.3	78%	0.776	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-61.8	129.6	178	-168.3	178.7	172.5	0	0	111.7	Y583	Y583-E658 WeakPolarHBondContact CE1-O 3.47Å
659	P	96.2	Very high	83.9	Confident	47 Å²	47	78.1 Å²	78.1	31%	0.305	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-62.2	131.4	172.6	-24.9	36	0	0	0	113.2	G582 Y583 L662	G582-P659 CarbonylContact O-C 2.94Å; G582-P659 WeakPolarHBondContact O-CA 3.24Å; G582-P659 WeakPolarHBondContact O-CB 3.31Å; Y583-P659 VanDerWaalsContact CE1-CA 3.5Å; Y583-P659 HydrophobicContact CE1-CB 4.26Å; Y583-P659 HydrophobicContact CE1-CG 4.27Å; Y583-P659 HydrophobicContact CE2-CG 4.31Å; P659-L662 HydrophobicContact CB-CD1 3.98Å; P659-L662 HydrophobicContact CB-CD2 4.03Å; P659-L662 HydrophobicContact CB-CG 3.77Å; P659-L662 HydrophobicContact CG-CD1 4.43Å
660	D	95.7	Very high	83.1	Confident	40 Å²	40	82.1 Å²	82.1	21%	0.214	45%	0.447	C	S	.	.	S	Bend	trans	-111.3	10.4	-177.9	70.3	-24.9	0	0	0	114.3	G582 Y583 R584 P614 S616	G582-D660 PolarHBondContact O-N 2.64Å; G582-D660 VanDerWaalsContact O-N 3.17Å; Y583-D660 WeakPolarHBondContact CA-OD1 3.33Å; R584-D660 WeakPolarHBondContact CB-OD2 3.48Å; R584-D660 VanDerWaalsContact CD-O 3.28Å; R584-D660 WeakPolarHBondContact CD-O 3.19Å; R584-D660 PolarHBondContact N-OD1 2.83Å; P614-D660 HydrophobicContact CB-CB 4.42Å; P614-D660 VanDerWaalsContact CB-OD2 3.29Å; P614-D660 WeakPolarHBondContact CB-OD2 3.3Å; S616-D660 VanDerWaalsContact CB-OD2 3.26Å; S616-D660 WeakPolarHBondContact CB-OD2 3.23Å; S616-D660 PolarHBondContact N-OD2 2.88Å; S616-D660 WeakPolarHBondContact OG-CB 3.45Å; S616-D660 PolarHBondContact OG-OD2 2.86Å
661	A	92.3	Very high	82.3	Confident	45 Å²	45	86.4 Å²	86.4	37%	0.372	47%	0.47	S	S	.	.			trans	-128.3	21.7	177.2	0	0	0	0	0	114	G582 R584 T663	G582-A661 WeakPolarHBondContact O-CA 3.41Å; G582-A661 WeakPolarHBondContact O-CB 3.32Å; G582-A661 PolarHBondContact O-N 2.81Å; R584-A661 HydrophobicContact CG-CB 3.78Å; A661-T663 PolarHBondContact O-N 3.27Å
662	L	83	Confident	81.3	Confident	63 Å²	63	91.5 Å²	91.5	33%	0.33	50%	0.498	S	S	.	.			trans	-66.5	130.2	174.7	-62	174.4	0	0	0	110.1	P659 D666 K667	P659-L662 HydrophobicContact CB-CD1 3.98Å; P659-L662 HydrophobicContact CB-CD2 4.03Å; P659-L662 HydrophobicContact CB-CG 3.77Å; P659-L662 HydrophobicContact CG-CD1 4.43Å; L662-D666 HydrophobicContact CB-CB 4.39Å; L662-D666 HydrophobicContact CD2-CB 4.05Å; L662-K667 HydrophobicContact CB-CG 4.28Å; L662-K667 HydrophobicContact CD1-CG 4.44Å
663	T	70.2	Confident	80.2	Confident	90 Å²	90	97.3 Å²	97.3	55%	0.552	53%	0.529	S	S	*	.			trans	-71.6	160.1	168.8	58.2	0	0	0	0	109.3	A661 G665 D666	A661-T663 PolarHBondContact O-N 3.27Å; T663-G665 PolarHBondContact O-N 2.74Å; T663-D666 PolarHBondContact O-N 3.31Å
664	T	63.7	Low	79.1	Confident	141 Å²	141	93.1 Å²	93.1	87%	0.865	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-17	-179.2	34.5	0	0	0	0	114.6
665	G	58.5	Low	77.8	Confident	59 Å²	59	96.4 Å²	96.4	61%	0.608	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-18	176	0	0	0	0	0	115.9	T663	T663-G665 PolarHBondContact O-N 2.74Å
666	D	55.4	Low	76.3	Confident	85 Å²	85	99.2 Å²	99.2	46%	0.455	56%	0.56	S	S	.	*	S	Bend	trans	-98.3	6.3	-176	-75.1	-14.5	0	0	0	112.8	L662 T663	L662-D666 HydrophobicContact CB-CB 4.39Å; L662-D666 HydrophobicContact CD2-CB 4.05Å; T663-D666 PolarHBondContact O-N 3.31Å
667	K	47.6	Very low	74.6	Confident	158 Å²	158	95.2 Å²	95.2	69%	0.687	54%	0.54	S	S	*	.			trans	-88.6	0.1	-179.3	-76.7	-166	174.7	-169.1	0	114.7	L662	L662-K667 HydrophobicContact CB-CG 4.28Å; L662-K667 HydrophobicContact CD1-CG 4.44Å
668	N	39.6	Very low	72.5	Confident	214 Å²	214	100.7 Å²	100.7	100%	1.144	57%	0.573	S	S	*	*			trans	-107.1	0	172	-67.1	-12.7	0	0	0	109.6

Retrieved 668 of 668 residues in 4270 ms (Link to these results)

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