A0A087XU08_POEFO Loading...

F-box/LRR-repeat protein 2

AlphaFold DB , UniProt , Accession A0A087XU08, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 432 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	36.9	Very low	246 Å²	246	166.1 Å²	166.1	100%	1.212	86%	0.86	S	S	*	*				0	96.2	0	-74.1	173	-172.5	0	0	107.5
2	N	32	Very low	37.2	Very low	169 Å²	169	166 Å²	166	90%	0.904	85%	0.848	S	S	*	*			trans	-130.9	129.3	175.6	-101.9	-6.7	0	0	0	108
3	G	39.4	Very low	37.2	Very low	69 Å²	69	158.7 Å²	158.7	71%	0.711	82%	0.821	S	S	*	*			trans	53.5	133.5	140.8	0	0	0	0	0	120.9
4	I	40.2	Very low	37.5	Very low	167 Å²	167	157.6 Å²	157.6	86%	0.856	83%	0.825	S	S	*	*				-169.4	124.5	106.6	-88.9	153.3	0	0	0	110.3
5	T	40.4	Very low	38.1	Very low	129 Å²	129	151.7 Å²	151.7	79%	0.791	80%	0.803	S	S	*	*			trans	-19.4	133.9	159.8	46.2	0	0	0	0	119.5
6	K	34.4	Very low	39	Very low	218 Å²	218	150.3 Å²	150.3	95%	0.948	80%	0.795	S	S	*	*			trans	-102.3	118.7	152.9	-97.8	-177.1	175.9	-178.8	0	110.5
7	S	31.9	Very low	40.3	Very low	103 Å²	103	147.3 Å²	147.3	72%	0.72	78%	0.776	S	S	*	*			trans	-61.2	140.9	178.9	167.8	0	0	0	0	112.6	F9	S7-F9 PolarHBondContact O-N 2.77Å
8	R	38.9	Very low	41.7	Very low	241 Å²	241	141.3 Å²	141.3	91%	0.909	75%	0.751	S	S	*	*	S	Bend	trans	-98	38.2	-173.1	-154	-178.4	-170	-176.7	3.2	112.5
9	F	40.3	Very low	43.3	Very low	177 Å²	177	139.5 Å²	139.5	78%	0.776	75%	0.748	S	S	*	*			trans	-132.5	81.7	180	-80.4	-87.5	0	0	0	110.4	S7	S7-F9 PolarHBondContact O-N 2.77Å
10	E	34.9	Very low	45	Very low	173 Å²	173	135.8 Å²	135.8	81%	0.808	73%	0.727	S	S	*	*			trans	-92.2	114	153.8	-88.8	-177.7	170.8	0	0	108.2	F12	E10-F12 PolarHBondContact O-N 3.48Å
11	V	39.1	Very low	46.6	Very low	135 Å²	135	130.4 Å²	130.4	82%	0.818	70%	0.699	S	S	*	*			trans	-71.6	103.1	175.1	175.5	0	0	0	0	107.3	S13	V11-S13 PolarHBondContact O-N 3.38Å
12	F	40	Very low	48.8	Very low	165 Å²	165	124.5 Å²	124.5	72%	0.724	67%	0.666	S	S	*	*			trans	-66.7	125	166.8	-78.4	-87.8	0	0	0	109	E10	E10-F12 PolarHBondContact O-N 3.48Å
13	S	37.2	Very low	51.5	Low	71 Å²	71	125.3 Å²	125.3	50%	0.497	66%	0.662	S	S	.	*			trans	-54.7	151.9	177.4	71.3	0	0	0	0	111.9	V11 S15	V11-S13 PolarHBondContact O-N 3.38Å; S13-S15 PolarHBondContact O-N 2.87Å; S13-S15 PolarHBondContact OG-OG 3.49Å
14	T	42.1	Very low	53.9	Low	143 Å²	143	124.6 Å²	124.6	88%	0.877	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	14.6	173.9	41.5	0	0	0	0	114.9
15	S	46.1	Very low	56.3	Low	70 Å²	70	119.8 Å²	119.8	49%	0.49	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.8	-16.9	-174.7	70.6	0	0	0	0	114.8	S13 E17 K22	S13-S15 PolarHBondContact O-N 2.87Å; S13-S15 PolarHBondContact OG-OG 3.49Å; S15-E17 PolarHBondContact O-N 3.39Å; S15-K22 PolarHBondContact O-NZ 3.4Å
16	D	52.5	Low	58.6	Low	128 Å²	128	118.5 Å²	118.5	68%	0.684	60%	0.604	S	S	*	*			trans	-89.4	15.2	-173.1	-88.8	-21.6	0	0	0	116.1	A18	D16-A18 PolarHBondContact O-N 2.77Å
17	E	61.1	Low	61.3	Low	100 Å²	100	114.4 Å²	114.4	47%	0.467	59%	0.589	S	S	.	*	S	Bend	trans	-74.4	129.8	171.6	-76.4	-168.7	160.4	0	0	111.6	S15 N21 K22	S15-E17 PolarHBondContact O-N 3.39Å; E17-N21 HydrophobicContact CB-CB 4.29Å; E17-K22 HydrophobicContact CB-CG 4.28Å; E17-K22 VanDerWaalsContact O-CE 3.24Å; E17-K22 WeakPolarHBondContact O-CE 3.39Å; E17-K22 PolarHBondContact O-NZ 2.96Å
18	A	65.5	Low	64.2	Low	40 Å²	40	113.9 Å²	113.9	33%	0.331	58%	0.577	S	S	.	*			trans	-49.5	141.6	175.3	0	0	0	0	0	110.8	D16 I20 N21	D16-A18 PolarHBondContact O-N 2.77Å; A18-I20 HydrophobicContact CB-CG2 4.12Å; A18-I20 PolarHBondContact O-N 3.49Å; A18-N21 WeakPolarHBondContact O-CB 3.24Å; A18-N21 PolarHBondContact O-N 3.3Å
19	P	72.1	Confident	66.7	Low	106 Å²	106	102.8 Å²	102.8	69%	0.688	54%	0.536	S	S	*	.	H	α-helix	trans	-53.5	-32	-172.6	-25.9	32.1	0	0	0	114.1	N21 K22 K23	P19-N21 VanDerWaalsContact C-N 3.35Å; P19-K22 PolarHBondContact O-N 3.24Å; P19-K23 PolarHBondContact O-N 3.3Å
20	I	77.8	Confident	69	Low	65 Å²	65	95.6 Å²	95.6	33%	0.333	51%	0.505	S	S	.	.	H	α-helix	trans	-63.9	-37.1	177.1	-165	172.3	0	0	0	112.6	A18 K22 K23 L24 L29 W51	A18-I20 HydrophobicContact CB-CG2 4.12Å; A18-I20 PolarHBondContact O-N 3.49Å; I20-K22 VanDerWaalsContact C-N 3.26Å; I20-K22 PolarHBondContact O-N 2.97Å; I20-K23 PolarHBondContact O-N 2.78Å; I20-L24 HydrophobicContact CD1-CD1 4.14Å; I20-L24 HydrophobicContact CG1-CD1 3.7Å; I20-L24 HydrophobicContact CG1-CG 4.33Å; I20-L24 PolarHBondContact O-N 3.47Å; I20-L29 HydrophobicContact CD1-CD2 4.27Å; I20-L29 HydrophobicContact CG1-CD2 4.08Å; I20-W51 HydrophobicContact CG2-CZ2 3.9Å
21	N	78	Confident	71.6	Confident	23 Å²	23	94.4 Å²	94.4	12%	0.123	49%	0.494	C	S	.	.	H	α-helix	trans	-71.1	-24.3	179	-61	-17.1	0	0	0	112.1	E17 A18 P19 W51	E17-N21 HydrophobicContact CB-CB 4.29Å; A18-N21 WeakPolarHBondContact O-CB 3.24Å; A18-N21 PolarHBondContact O-N 3.3Å; P19-N21 VanDerWaalsContact C-N 3.35Å; N21-W51 PolarHBondContact ND2-NE1 3.29Å; N21-W51 PolarHBondContact OD1-NE1 2.83Å
22	K	81.2	Confident	74.1	Confident	123 Å²	123	91.5 Å²	91.5	54%	0.535	47%	0.473	S	S	.	.	H	α-helix	trans	-83.5	-22.9	176.7	-63.9	179.9	-178.9	167.8	0	113	S15 E17 P19 I20	S15-K22 PolarHBondContact O-NZ 3.4Å; E17-K22 HydrophobicContact CB-CG 4.28Å; E17-K22 VanDerWaalsContact O-CE 3.24Å; E17-K22 WeakPolarHBondContact O-CE 3.39Å; E17-K22 PolarHBondContact O-NZ 2.96Å; P19-K22 PolarHBondContact O-N 3.24Å; I20-K22 VanDerWaalsContact C-N 3.26Å; I20-K22 PolarHBondContact O-N 2.97Å
23	K	88	Confident	76.5	Confident	185 Å²	185	83.9 Å²	83.9	80%	0.804	44%	0.439	S	S	*	.	H	α-helix	trans	-103.4	-27.6	-176	-73.9	-159.4	174.9	-170.3	0	114.4	P19 I20	P19-K23 PolarHBondContact O-N 3.3Å; I20-K23 PolarHBondContact O-N 2.78Å
24	L	89.4	Confident	78.8	Confident	55 Å²	55	83.1 Å²	83.1	29%	0.288	43%	0.434	S	S	.	.	S	Bend	trans	-109.7	132.9	-178.3	-64.1	179.7	0	0	0	111	I20 L28 L29 I32	I20-L24 HydrophobicContact CD1-CD1 4.14Å; I20-L24 HydrophobicContact CG1-CD1 3.7Å; I20-L24 HydrophobicContact CG1-CG 4.33Å; I20-L24 PolarHBondContact O-N 3.47Å; L24-L28 HydrophobicContact CD2-CD1 4.13Å; L24-L29 HydrophobicContact CB-CD2 4.17Å; L24-L29 HydrophobicContact CB-CG 4.08Å; L24-L29 HydrophobicContact CD1-CD2 4.16Å; L24-I32 HydrophobicContact CD1-CD1 3.72Å
25	P	91.3	Very high	80.9	Confident	66 Å²	66	84.1 Å²	84.1	43%	0.429	42%	0.423	S	S	.	.			trans	-69.2	160.2	172.2	33.5	-37.3	0	0	0	111.1	E27 L28 L29	P25-E27 WeakPolarHBondContact CB-OE2 3.4Å; P25-E27 PolarHBondContact O-N 3.07Å; P25-E27 VanDerWaalsContact O-N 3.16Å; P25-L28 HydrophobicContact CG-CB 4.28Å; P25-L28 HydrophobicContact CG-CD1 4.02Å; P25-L28 HydrophobicContact CG-CG 3.89Å; P25-L28 PolarHBondContact O-N 2.79Å; P25-L28 VanDerWaalsContact O-N 3.08Å; P25-L29 PolarHBondContact O-N 3.34Å
26	K	89.6	Confident	82.8	Confident	101 Å²	101	83.4 Å²	83.4	44%	0.439	41%	0.413	S	S	.	.	H	α-helix	trans	-52.7	-39.6	-175.6	170.8	168.7	-177.7	-167.4	0	112.6	L28 L29 L30 L54 D57	K26-L28 VanDerWaalsContact C-N 3.34Å; K26-L28 PolarHBondContact O-N 3.44Å; K26-L29 PolarHBondContact O-N 3.19Å; K26-L30 HydrophobicContact CG-CD1 4.14Å; K26-L30 HydrophobicContact CG-CG 4.36Å; K26-L30 WeakPolarHBondContact O-CG 3.4Å; K26-L30 PolarHBondContact O-N 3.08Å; K26-L54 HydrophobicContact CD-CD2 4.08Å; K26-L54 HydrophobicContact CG-CD2 3.66Å; K26-D57 IonicContact NZ-OD2 2.81Å
27	E	90.4	Very high	84.1	Confident	133 Å²	133	81.4 Å²	81.4	62%	0.621	40%	0.402	S	S	*	.	H	α-helix	trans	-64	-39.6	-177.3	-60.6	72.2	-157.6	0	0	111.5	P25 R31	P25-E27 WeakPolarHBondContact CB-OE2 3.4Å; P25-E27 PolarHBondContact O-N 3.07Å; P25-E27 VanDerWaalsContact O-N 3.16Å; E27-R31 WeakPolarHBondContact O-CB 3.29Å; E27-R31 PolarHBondContact O-N 3.07Å
28	L	92.2	Very high	85	Confident	91 Å²	91	78 Å²	78	48%	0.476	39%	0.388	S	S	.	.	H	α-helix	trans	-72.9	-36	176.7	-66	-171.7	0	0	0	111.5	L24 P25 K26 R31 I32	L24-L28 HydrophobicContact CD2-CD1 4.13Å; P25-L28 HydrophobicContact CG-CB 4.28Å; P25-L28 HydrophobicContact CG-CD1 4.02Å; P25-L28 HydrophobicContact CG-CG 3.89Å; P25-L28 PolarHBondContact O-N 2.79Å; P25-L28 VanDerWaalsContact O-N 3.08Å; K26-L28 VanDerWaalsContact C-N 3.34Å; K26-L28 PolarHBondContact O-N 3.44Å; L28-R31 WeakPolarHBondContact O-CB 3.48Å; L28-R31 PolarHBondContact O-N 3.09Å; L28-I32 VanDerWaalsContact O-CG1 3.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.45Å; L28-I32 PolarHBondContact O-N 3.41Å
29	L	91.1	Very high	85.8	Confident	8 Å²	8	78.6 Å²	78.6	4%	0.042	39%	0.388	C	S	.	.	H	α-helix	trans	-65.4	-42.6	174.3	-69.1	169.2	0	0	0	111.9	I20 L24 P25 K26 R31 I32 F33 L54	I20-L29 HydrophobicContact CD1-CD2 4.27Å; I20-L29 HydrophobicContact CG1-CD2 4.08Å; L24-L29 HydrophobicContact CB-CD2 4.17Å; L24-L29 HydrophobicContact CB-CG 4.08Å; L24-L29 HydrophobicContact CD1-CD2 4.16Å; P25-L29 PolarHBondContact O-N 3.34Å; K26-L29 PolarHBondContact O-N 3.19Å; L29-R31 VanDerWaalsContact C-N 3.3Å; L29-R31 PolarHBondContact O-N 3.41Å; L29-I32 WeakPolarHBondContact O-CB 3.38Å; L29-I32 PolarHBondContact O-N 3.04Å; L29-F33 WeakPolarHBondContact O-CD1 3.48Å; L29-F33 WeakPolarHBondContact O-CG 3.5Å; L29-F33 PolarHBondContact O-N 2.89Å; L29-L54 HydrophobicContact CB-CD1 3.96Å; L29-L54 HydrophobicContact CD1-CD1 3.74Å; L29-L54 HydrophobicContact CG-CD1 4.45Å
30	L	89.4	Confident	86.5	Confident	26 Å²	26	75.4 Å²	75.4	14%	0.136	37%	0.367	C	S	.	.	H	α-helix	trans	-62.9	-39.1	172.4	-73.1	178.2	0	0	0	111.5	K26 I32 F33 S34 L54 D57 N60	K26-L30 HydrophobicContact CG-CD1 4.14Å; K26-L30 HydrophobicContact CG-CG 4.36Å; K26-L30 WeakPolarHBondContact O-CG 3.4Å; K26-L30 PolarHBondContact O-N 3.08Å; L30-I32 VanDerWaalsContact C-N 3.32Å; L30-I32 PolarHBondContact O-N 3.26Å; L30-F33 PolarHBondContact O-N 3.21Å; L30-S34 WeakPolarHBondContact O-CB 3.45Å; L30-S34 PolarHBondContact O-N 2.96Å; L30-L54 HydrophobicContact CD2-CB 4.37Å; L30-L54 HydrophobicContact CD2-CD2 3.99Å; L30-L54 HydrophobicContact CG-CD2 4.08Å; L30-D57 HydrophobicContact CD2-CB 3.57Å; L30-N60 WeakPolarHBondContact CD2-ND2 3.33Å; L30-N60 PolarHBondContact O-OD1 3.16Å
31	R	88.8	Confident	87	Confident	149 Å²	149	72.4 Å²	72.4	56%	0.562	35%	0.351	S	S	*	.	H	α-helix	trans	-61	-42	174.1	-172.6	57.5	173.3	176.2	-1.8	111.5	E27 L28 L29 S34 Y35	E27-R31 WeakPolarHBondContact O-CB 3.29Å; E27-R31 PolarHBondContact O-N 3.07Å; L28-R31 WeakPolarHBondContact O-CB 3.48Å; L28-R31 PolarHBondContact O-N 3.09Å; L29-R31 VanDerWaalsContact C-N 3.3Å; L29-R31 PolarHBondContact O-N 3.41Å; R31-S34 PolarHBondContact O-N 3.38Å; R31-S34 PolarHBondContact O-OG 2.75Å; R31-Y35 HydrophobicContact CG-CE2 4.27Å; R31-Y35 PolarHBondContact NH2-OH 3.43Å; R31-Y35 WeakPolarHBondContact O-CD2 3.42Å; R31-Y35 WeakPolarHBondContact O-CE2 3.41Å
32	I	91.4	Very high	87.3	Confident	74 Å²	74	73.9 Å²	73.9	38%	0.379	36%	0.363	S	S	.	.	H	α-helix	trans	-61.8	-48.3	174.1	-67.5	163	0	0	0	110.5	L24 L28 L29 L30 S34 Y35	L24-I32 HydrophobicContact CD1-CD1 3.72Å; L28-I32 VanDerWaalsContact O-CG1 3.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.45Å; L28-I32 PolarHBondContact O-N 3.41Å; L29-I32 WeakPolarHBondContact O-CB 3.38Å; L29-I32 PolarHBondContact O-N 3.04Å; L30-I32 VanDerWaalsContact C-N 3.32Å; L30-I32 PolarHBondContact O-N 3.26Å; I32-S34 PolarHBondContact O-N 3.16Å; I32-Y35 PolarHBondContact O-N 3.26Å; I32-Y35 VanDerWaalsContact O-N 3.11Å
33	F	90.8	Very high	87.7	Confident	4 Å²	4	75.8 Å²	75.8	2%	0.018	37%	0.367	C	S	.	.	H	α-helix	trans	-64.2	-28.6	-178.2	-77.6	16.5	0	0	0	112.7	L29 L30 Y35 L36 L41 C44 W51 L54 A55	L29-F33 WeakPolarHBondContact O-CD1 3.48Å; L29-F33 WeakPolarHBondContact O-CG 3.5Å; L29-F33 PolarHBondContact O-N 2.89Å; L30-F33 PolarHBondContact O-N 3.21Å; F33-Y35 PolarHBondContact O-N 2.91Å; F33-Y35 VanDerWaalsContact O-N 3.11Å; F33-L36 HydrophobicContact CD1-CD1 3.81Å; F33-L36 HydrophobicContact CE1-CD1 4.34Å; F33-L36 HydrophobicContact CG-CD1 4.28Å; F33-L36 WeakPolarHBondContact O-CB 3.06Å; F33-L36 PolarHBondContact O-N 2.82Å; F33-L41 HydrophobicContact CB-CD2 3.91Å; F33-L41 HydrophobicContact CD2-CD2 4.23Å; F33-L41 HydrophobicContact CG-CD2 4.22Å; F33-C44 HydrophobicContact CE2-CB 4.36Å; F33-C44 HydrophobicContact CZ-CB 4.22Å; F33-W51 HydrophobicContact CE1-CD2 4.43Å; F33-W51 HydrophobicContact CE1-CE3 4.27Å; F33-W51 HydrophobicContact CE1-CH2 4.29Å; F33-W51 HydrophobicContact CE1-CZ2 4.43Å; F33-W51 HydrophobicContact CE1-CZ3 4.21Å; F33-W51 HydrophobicContact CZ-CB 4.46Å; F33-W51 AromaticContact CZ-CD2 3.69Å; F33-W51 HydrophobicContact CZ-CD2 3.69Å; F33-W51 AromaticContact CZ-CE3 3.7Å; F33-W51 HydrophobicContact CZ-CE3 3.7Å; F33-W51 HydrophobicContact CZ-CG 4.08Å; F33-W51 HydrophobicContact CZ-CH2 4.45Å; F33-W51 HydrophobicContact CZ-CZ2 4.44Å; F33-W51 HydrophobicContact CZ-CZ3 4.1Å; F33-L54 HydrophobicContact CD2-CB 3.86Å; F33-L54 HydrophobicContact CE2-CB 3.53Å; F33-L54 HydrophobicContact CZ-CB 4.44Å; F33-A55 HydrophobicContact CD2-CB 4.07Å; F33-A55 HydrophobicContact CE2-CB 3.81Å
34	S	86.1	Confident	87.8	Confident	55 Å²	55	67.5 Å²	67.5	39%	0.385	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-13	175.6	77.3	0	0	0	0	114.6	L30 R31 I32 N60	L30-S34 WeakPolarHBondContact O-CB 3.45Å; L30-S34 PolarHBondContact O-N 2.96Å; R31-S34 PolarHBondContact O-N 3.38Å; R31-S34 PolarHBondContact O-OG 2.75Å; I32-S34 PolarHBondContact O-N 3.16Å; S34-N60 PolarHBondContact N-OD1 2.83Å
35	Y	86.6	Confident	87.8	Confident	164 Å²	164	65.4 Å²	65.4	64%	0.643	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-5.9	173.3	-66.1	-79.9	0	0	0	113.6	R31 I32 F33	R31-Y35 HydrophobicContact CG-CE2 4.27Å; R31-Y35 PolarHBondContact NH2-OH 3.43Å; R31-Y35 WeakPolarHBondContact O-CD2 3.42Å; R31-Y35 WeakPolarHBondContact O-CE2 3.41Å; I32-Y35 PolarHBondContact O-N 3.26Å; I32-Y35 VanDerWaalsContact O-N 3.11Å; F33-Y35 PolarHBondContact O-N 2.91Å; F33-Y35 VanDerWaalsContact O-N 3.11Å
36	L	85.5	Confident	87.6	Confident	56 Å²	56	69.9 Å²	69.9	29%	0.293	34%	0.337	S	S	.	.	S	Bend	trans	-88.8	143.9	-177.7	-56.4	179.5	0	0	0	110.8	F33 T40 L41	F33-L36 HydrophobicContact CD1-CD1 3.81Å; F33-L36 HydrophobicContact CE1-CD1 4.34Å; F33-L36 HydrophobicContact CG-CD1 4.28Å; F33-L36 WeakPolarHBondContact O-CB 3.06Å; F33-L36 PolarHBondContact O-N 2.82Å; L36-T40 HydrophobicContact CB-CG2 4.17Å; L36-T40 HydrophobicContact CD1-CG2 4.21Å; L36-T40 HydrophobicContact CD2-CG2 4.05Å; L36-T40 HydrophobicContact CG-CG2 4.36Å; L36-L41 HydrophobicContact CB-CD2 4.16Å; L36-L41 HydrophobicContact CB-CG 3.96Å; L36-L41 HydrophobicContact CD1-CD2 4.37Å
37	D	80.8	Confident	87.7	Confident	85 Å²	85	69.3 Å²	69.3	46%	0.455	34%	0.342	S	S	.	.			trans	-71.3	166.1	172.5	70.1	72.9	0	0	0	111.9	V39 T40 L41	D37-V39 VanDerWaalsContact C-N 3.31Å; D37-V39 PolarHBondContact O-N 3.49Å; D37-V39 VanDerWaalsContact OD1-CA 3.31Å; D37-V39 WeakPolarHBondContact OD1-CA 3.48Å; D37-V39 VanDerWaalsContact OD1-CB 3.24Å; D37-V39 WeakPolarHBondContact OD1-CB 3.34Å; D37-V39 PolarHBondContact OD1-N 3.23Å; D37-T40 VanDerWaalsContact CG-OG1 3.3Å; D37-T40 PolarHBondContact O-N 2.95Å; D37-T40 PolarHBondContact OD1-N 2.89Å; D37-T40 PolarHBondContact OD1-OG1 3.26Å; D37-T40 WeakPolarHBondContact OD2-CB 3.42Å; D37-T40 PolarHBondContact OD2-OG1 3.46Å; D37-L41 WeakPolarHBondContact O-CB 3.45Å; D37-L41 WeakPolarHBondContact O-CG 3.45Å; D37-L41 PolarHBondContact O-N 2.89Å
38	V	79.8	Confident	87.6	Confident	29 Å²	29	65 Å²	65	18%	0.176	33%	0.326	C	S	.	.	H	α-helix	trans	-56.9	-41.4	-178.5	167.6	0	0	0	0	112.8	L41 C42 W61 I64 F69	V38-L41 PolarHBondContact O-N 3.24Å; V38-C42 WeakPolarHBondContact O-CB 3.3Å; V38-C42 PolarHBondContact O-N 3.11Å; V38-C42 PolarHBondContact O-SG 3.27Å; V38-W61 HydrophobicContact CB-CZ3 4.22Å; V38-W61 HydrophobicContact CG1-CH2 4.15Å; V38-W61 HydrophobicContact CG1-CZ3 3.69Å; V38-W61 HydrophobicContact CG2-CE3 4.42Å; V38-W61 HydrophobicContact CG2-CZ3 3.97Å; V38-I64 HydrophobicContact CG2-CG1 4.32Å; V38-I64 HydrophobicContact CG2-CG2 4.25Å; V38-F69 HydrophobicContact CB-CZ 4.45Å; V38-F69 HydrophobicContact CG1-CZ 4.06Å
39	V	81.3	Confident	87.3	Confident	52 Å²	52	69.8 Å²	69.8	32%	0.315	34%	0.344	S	S	.	.	H	α-helix	trans	-66.4	-45	-179.7	-179.2	0	0	0	0	109.7	D37 C42 R43 F69	D37-V39 VanDerWaalsContact C-N 3.31Å; D37-V39 PolarHBondContact O-N 3.49Å; D37-V39 VanDerWaalsContact OD1-CA 3.31Å; D37-V39 WeakPolarHBondContact OD1-CA 3.48Å; D37-V39 VanDerWaalsContact OD1-CB 3.24Å; D37-V39 WeakPolarHBondContact OD1-CB 3.34Å; D37-V39 PolarHBondContact OD1-N 3.23Å; V39-C42 WeakPolarHBondContact O-CB 3.47Å; V39-C42 PolarHBondContact O-N 3.28Å; V39-R43 WeakPolarHBondContact O-CG 3.4Å; V39-R43 PolarHBondContact O-N 3.1Å; V39-F69 HydrophobicContact CG2-CD1 4.32Å; V39-F69 HydrophobicContact CG2-CE1 3.36Å; V39-F69 HydrophobicContact CG2-CZ 3.64Å
40	T	87.4	Confident	87.1	Confident	40 Å²	40	70.9 Å²	70.9	25%	0.245	35%	0.354	C	S	.	.	H	α-helix	trans	-66	-41.2	179	-59.8	0	0	0	0	111.1	L36 D37 C42 R43 C44	L36-T40 HydrophobicContact CB-CG2 4.17Å; L36-T40 HydrophobicContact CD1-CG2 4.21Å; L36-T40 HydrophobicContact CD2-CG2 4.05Å; L36-T40 HydrophobicContact CG-CG2 4.36Å; D37-T40 VanDerWaalsContact CG-OG1 3.3Å; D37-T40 PolarHBondContact O-N 2.95Å; D37-T40 PolarHBondContact OD1-N 2.89Å; D37-T40 PolarHBondContact OD1-OG1 3.26Å; D37-T40 WeakPolarHBondContact OD2-CB 3.42Å; D37-T40 PolarHBondContact OD2-OG1 3.46Å; T40-C42 PolarHBondContact O-N 3.28Å; T40-R43 CarbonylContact O-C 3.49Å; T40-R43 WeakPolarHBondContact O-CB 3.48Å; T40-R43 PolarHBondContact O-N 2.83Å; T40-R43 VanDerWaalsContact O-N 3.1Å; T40-C44 PolarHBondContact O-N 3.47Å; T40-C44 PolarHBondContact O-SG 3.19Å
41	L	87.9	Confident	87.2	Confident	2 Å²	2	71.8 Å²	71.8	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-59.7	-43.5	172	-77.6	169	0	0	0	112	F33 L36 D37 V38 R43 C44 A45 A55 N60 W61	F33-L41 HydrophobicContact CB-CD2 3.91Å; F33-L41 HydrophobicContact CD2-CD2 4.23Å; F33-L41 HydrophobicContact CG-CD2 4.22Å; L36-L41 HydrophobicContact CB-CD2 4.16Å; L36-L41 HydrophobicContact CB-CG 3.96Å; L36-L41 HydrophobicContact CD1-CD2 4.37Å; D37-L41 WeakPolarHBondContact O-CB 3.45Å; D37-L41 WeakPolarHBondContact O-CG 3.45Å; D37-L41 PolarHBondContact O-N 2.89Å; V38-L41 PolarHBondContact O-N 3.24Å; L41-R43 VanDerWaalsContact C-N 3.26Å; L41-R43 PolarHBondContact O-N 3.1Å; L41-C44 WeakPolarHBondContact O-CB 3.21Å; L41-C44 PolarHBondContact O-N 2.69Å; L41-A45 PolarHBondContact O-N 3.36Å; L41-A55 HydrophobicContact CD2-CB 4.39Å; L41-A55 WeakPolarHBondContact O-CB 3.5Å; L41-N60 HydrophobicContact CD1-CB 4.1Å; L41-N60 HydrophobicContact CD2-CB 4.25Å; L41-W61 HydrophobicContact CB-CH2 4.09Å; L41-W61 HydrophobicContact CB-CZ2 3.91Å; L41-W61 HydrophobicContact CD1-CZ2 4.27Å
42	C	84.4	Confident	87.1	Confident	54 Å²	54	67.9 Å²	67.9	37%	0.365	35%	0.346	S	S	.	.	H	α-helix	trans	-61.5	-34.3	174.6	-76.1	0	0	0	0	112.5	V38 V39 T40 Q46	V38-C42 WeakPolarHBondContact O-CB 3.3Å; V38-C42 PolarHBondContact O-N 3.11Å; V38-C42 PolarHBondContact O-SG 3.27Å; V39-C42 WeakPolarHBondContact O-CB 3.47Å; V39-C42 PolarHBondContact O-N 3.28Å; T40-C42 PolarHBondContact O-N 3.28Å; C42-Q46 PolarHBondContact O-NE2 3.24Å
43	R	89.5	Confident	86.9	Confident	163 Å²	163	68.7 Å²	68.7	62%	0.615	35%	0.354	S	S	*	.	H	α-helix	trans	-71	-44.3	172.6	-68.1	171.5	-179	162.6	0.1	111.4	V39 T40 L41 A45 Q46	V39-R43 WeakPolarHBondContact O-CG 3.4Å; V39-R43 PolarHBondContact O-N 3.1Å; T40-R43 CarbonylContact O-C 3.49Å; T40-R43 WeakPolarHBondContact O-CB 3.48Å; T40-R43 PolarHBondContact O-N 2.83Å; T40-R43 VanDerWaalsContact O-N 3.1Å; L41-R43 VanDerWaalsContact C-N 3.26Å; L41-R43 PolarHBondContact O-N 3.1Å; R43-A45 PolarHBondContact O-N 3.1Å; R43-Q46 WeakPolarHBondContact O-CB 3.28Å; R43-Q46 PolarHBondContact O-N 3.16Å
44	C	90.9	Very high	86.7	Confident	11 Å²	11	69.1 Å²	69.1	7%	0.074	36%	0.356	C	S	.	.	H	α-helix	trans	-56.4	-38.1	174.7	-69.8	0	0	0	0	111.6	F33 T40 L41 Q46 V47 W51 A55	F33-C44 HydrophobicContact CE2-CB 4.36Å; F33-C44 HydrophobicContact CZ-CB 4.22Å; T40-C44 PolarHBondContact O-N 3.47Å; T40-C44 PolarHBondContact O-SG 3.19Å; L41-C44 WeakPolarHBondContact O-CB 3.21Å; L41-C44 PolarHBondContact O-N 2.69Å; C44-Q46 PolarHBondContact O-N 3.28Å; C44-Q46 VanDerWaalsContact O-N 3.09Å; C44-V47 WeakPolarHBondContact O-CB 3.41Å; C44-V47 PolarHBondContact O-N 2.78Å; C44-W51 HydrophobicContact CB-CE3 3.9Å; C44-W51 HydrophobicContact CB-CZ3 4.26Å; C44-W51 WeakPolarHBondContact O-CB 3.47Å; C44-A55 HydrophobicContact CB-CB 3.99Å
45	A	88.4	Confident	86.8	Confident	10 Å²	10	66.5 Å²	66.5	8%	0.083	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.1	177.8	0	0	0	0	0	113.8	L41 R43 N52 A55 L56	L41-A45 PolarHBondContact O-N 3.36Å; R43-A45 PolarHBondContact O-N 3.1Å; A45-N52 WeakPolarHBondContact O-CB 3.17Å; A45-N52 PolarHBondContact O-ND2 3Å; A45-A55 HydrophobicContact CB-CB 3.86Å; A45-L56 HydrophobicContact CB-CD1 4.48Å; A45-L56 HydrophobicContact CB-CD2 4.05Å; A45-L56 HydrophobicContact CB-CG 4.05Å
46	Q	88.3	Confident	86.7	Confident	160 Å²	160	60.4 Å²	60.4	75%	0.748	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-5.5	179.2	-62.7	168.8	59.4	0	0	112.9	C42 R43 C44	C42-Q46 PolarHBondContact O-NE2 3.24Å; R43-Q46 WeakPolarHBondContact O-CB 3.28Å; R43-Q46 PolarHBondContact O-N 3.16Å; C44-Q46 PolarHBondContact O-N 3.28Å; C44-Q46 VanDerWaalsContact O-N 3.09Å
47	V	91.4	Very high	86.7	Confident	89 Å²	89	59.7 Å²	59.7	54%	0.539	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-45.9	-174	175.7	0	0	0	0	112.6	C44 W51	C44-V47 WeakPolarHBondContact O-CB 3.41Å; C44-V47 PolarHBondContact O-N 2.78Å; V47-W51 HydrophobicContact CB-CB 4.26Å; V47-W51 HydrophobicContact CB-CD2 4.18Å; V47-W51 HydrophobicContact CB-CE3 3.79Å; V47-W51 HydrophobicContact CB-CG 4.39Å; V47-W51 HydrophobicContact CG1-CD2 4.09Å; V47-W51 HydrophobicContact CG1-CE3 3.95Å; V47-W51 HydrophobicContact CG1-CG 4.44Å; V47-W51 HydrophobicContact CG2-CE3 3.81Å; V47-W51 HydrophobicContact CG2-CZ3 4.23Å
48	S	88.6	Confident	86.6	Confident	42 Å²	42	56.3 Å²	56.3	29%	0.294	30%	0.298	S	S	.	.			trans	-160.3	168	-179.4	69.4	0	0	0	0	111.2	A50 W51 N52	S48-A50 VanDerWaalsContact C-N 3.32Å; S48-A50 PolarHBondContact O-N 2.94Å; S48-W51 PolarHBondContact O-N 3.45Å; S48-W51 WeakPolarHBondContact OG-CB 3.44Å; S48-W51 PolarHBondContact OG-N 2.97Å; S48-N52 VanDerWaalsContact O-CB 3.29Å; S48-N52 WeakPolarHBondContact O-CB 3.42Å; S48-N52 PolarHBondContact O-N 3.28Å
49	K	84.3	Confident	86.7	Confident	193 Å²	193	56.8 Å²	56.8	84%	0.839	30%	0.303	S	S	*	.	H	α-helix	trans	-60	-41.5	174.2	-67.8	-177.9	-177.6	175.2	0	112.3	N52 V53	K49-N52 WeakPolarHBondContact O-CB 3.32Å; K49-N52 PolarHBondContact O-N 3.42Å; K49-V53 WeakPolarHBondContact O-CG2 3.46Å; K49-V53 PolarHBondContact O-N 2.89Å; K49-V53 VanDerWaalsContact O-N 3.16Å
50	A	87.8	Confident	86.9	Confident	31 Å²	31	55 Å²	55	26%	0.256	29%	0.291	S	S	.	.	H	α-helix	trans	-63.8	-48	177.3	0	0	0	0	0	111	S48 N52 V53 L54	S48-A50 VanDerWaalsContact C-N 3.32Å; S48-A50 PolarHBondContact O-N 2.94Å; A50-N52 VanDerWaalsContact C-N 3.3Å; A50-N52 PolarHBondContact O-N 3.11Å; A50-V53 PolarHBondContact O-N 3.49Å; A50-L54 WeakPolarHBondContact O-CG 3.5Å; A50-L54 PolarHBondContact O-N 2.81Å
51	W	90.3	Very high	86.8	Confident	45 Å²	45	54 Å²	54	17%	0.17	28%	0.283	C	S	.	.	H	α-helix	trans	-67.1	-30.4	177.6	-78.8	35.3	0	0	0	112.7	I20 N21 F33 C44 V47 S48 L54 A55	I20-W51 HydrophobicContact CG2-CZ2 3.9Å; N21-W51 PolarHBondContact ND2-NE1 3.29Å; N21-W51 PolarHBondContact OD1-NE1 2.83Å; F33-W51 HydrophobicContact CE1-CD2 4.43Å; F33-W51 HydrophobicContact CE1-CE3 4.27Å; F33-W51 HydrophobicContact CE1-CH2 4.29Å; F33-W51 HydrophobicContact CE1-CZ2 4.43Å; F33-W51 HydrophobicContact CE1-CZ3 4.21Å; F33-W51 HydrophobicContact CZ-CB 4.46Å; F33-W51 AromaticContact CZ-CD2 3.69Å; F33-W51 HydrophobicContact CZ-CD2 3.69Å; F33-W51 AromaticContact CZ-CE3 3.7Å; F33-W51 HydrophobicContact CZ-CE3 3.7Å; F33-W51 HydrophobicContact CZ-CG 4.08Å; F33-W51 HydrophobicContact CZ-CH2 4.45Å; F33-W51 HydrophobicContact CZ-CZ2 4.44Å; F33-W51 HydrophobicContact CZ-CZ3 4.1Å; C44-W51 HydrophobicContact CB-CE3 3.9Å; C44-W51 HydrophobicContact CB-CZ3 4.26Å; C44-W51 WeakPolarHBondContact O-CB 3.47Å; V47-W51 HydrophobicContact CB-CB 4.26Å; V47-W51 HydrophobicContact CB-CD2 4.18Å; V47-W51 HydrophobicContact CB-CE3 3.79Å; V47-W51 HydrophobicContact CB-CG 4.39Å; V47-W51 HydrophobicContact CG1-CD2 4.09Å; V47-W51 HydrophobicContact CG1-CE3 3.95Å; V47-W51 HydrophobicContact CG1-CG 4.44Å; V47-W51 HydrophobicContact CG2-CE3 3.81Å; V47-W51 HydrophobicContact CG2-CZ3 4.23Å; S48-W51 PolarHBondContact O-N 3.45Å; S48-W51 WeakPolarHBondContact OG-CB 3.44Å; S48-W51 PolarHBondContact OG-N 2.97Å; W51-L54 PolarHBondContact O-N 3.27Å; W51-A55 WeakPolarHBondContact O-CA 3.06Å; W51-A55 WeakPolarHBondContact O-CB 3.5Å; W51-A55 PolarHBondContact O-N 2.67Å
52	N	87.8	Confident	86.6	Confident	67 Å²	67	57.5 Å²	57.5	36%	0.358	30%	0.299	S	S	.	.	H	α-helix	trans	-60	-49	172	-173	-90.9	0	0	0	111.4	A45 S48 K49 A50 L54 L56	A45-N52 WeakPolarHBondContact O-CB 3.17Å; A45-N52 PolarHBondContact O-ND2 3Å; S48-N52 VanDerWaalsContact O-CB 3.29Å; S48-N52 WeakPolarHBondContact O-CB 3.42Å; S48-N52 PolarHBondContact O-N 3.28Å; K49-N52 WeakPolarHBondContact O-CB 3.32Å; K49-N52 PolarHBondContact O-N 3.42Å; A50-N52 VanDerWaalsContact C-N 3.3Å; A50-N52 PolarHBondContact O-N 3.11Å; N52-L54 VanDerWaalsContact C-N 3.35Å; N52-L54 PolarHBondContact O-N 3.23Å; N52-L56 VanDerWaalsContact O-CB 3.28Å; N52-L56 WeakPolarHBondContact O-CB 3.42Å; N52-L56 WeakPolarHBondContact O-CG 3.29Å; N52-L56 PolarHBondContact O-N 2.78Å; N52-L56 VanDerWaalsContact O-N 3.1Å
53	V	86.1	Confident	86.7	Confident	90 Å²	90	61.4 Å²	61.4	55%	0.545	31%	0.31	S	S	.	.	H	α-helix	trans	-62.8	-43.4	177.5	175.1	0	0	0	0	111.1	K49 A50 D57	K49-V53 WeakPolarHBondContact O-CG2 3.46Å; K49-V53 PolarHBondContact O-N 2.89Å; K49-V53 VanDerWaalsContact O-N 3.16Å; A50-V53 PolarHBondContact O-N 3.49Å; V53-D57 PolarHBondContact O-N 2.58Å; V53-D57 VanDerWaalsContact O-N 3.16Å
54	L	88.3	Confident	86.2	Confident	13 Å²	13	53.9 Å²	53.9	7%	0.068	28%	0.282	C	S	.	.	H	α-helix	trans	-69.2	-49.4	-179.4	-66.1	170.6	0	0	0	112.3	K26 L29 L30 F33 A50 W51 N52 L56 D57 N60	K26-L54 HydrophobicContact CD-CD2 4.08Å; K26-L54 HydrophobicContact CG-CD2 3.66Å; L29-L54 HydrophobicContact CB-CD1 3.96Å; L29-L54 HydrophobicContact CD1-CD1 3.74Å; L29-L54 HydrophobicContact CG-CD1 4.45Å; L30-L54 HydrophobicContact CD2-CB 4.37Å; L30-L54 HydrophobicContact CD2-CD2 3.99Å; L30-L54 HydrophobicContact CG-CD2 4.08Å; F33-L54 HydrophobicContact CD2-CB 3.86Å; F33-L54 HydrophobicContact CE2-CB 3.53Å; F33-L54 HydrophobicContact CZ-CB 4.44Å; A50-L54 WeakPolarHBondContact O-CG 3.5Å; A50-L54 PolarHBondContact O-N 2.81Å; W51-L54 PolarHBondContact O-N 3.27Å; N52-L54 VanDerWaalsContact C-N 3.35Å; N52-L54 PolarHBondContact O-N 3.23Å; L54-L56 PolarHBondContact O-N 2.97Å; L54-D57 WeakPolarHBondContact O-CB 3.31Å; L54-D57 PolarHBondContact O-N 2.97Å; L54-D57 VanDerWaalsContact O-N 3.1Å; L54-N60 PolarHBondContact O-ND2 3.3Å
55	A	87.8	Confident	85.7	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.9	-32.2	-178.5	0	0	0	0	0	111.2	F33 L41 C44 A45 W51 W61	F33-A55 HydrophobicContact CD2-CB 4.07Å; F33-A55 HydrophobicContact CE2-CB 3.81Å; L41-A55 HydrophobicContact CD2-CB 4.39Å; L41-A55 WeakPolarHBondContact O-CB 3.5Å; C44-A55 HydrophobicContact CB-CB 3.99Å; A45-A55 HydrophobicContact CB-CB 3.86Å; W51-A55 WeakPolarHBondContact O-CA 3.06Å; W51-A55 WeakPolarHBondContact O-CB 3.5Å; W51-A55 PolarHBondContact O-N 2.67Å; A55-W61 PolarHBondContact O-NE1 3.23Å
56	L	83.4	Confident	85.1	Confident	37 Å²	37	56.5 Å²	56.5	19%	0.194	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	10.8	-180	-52.3	175.5	0	0	0	114.2	A45 N52 L54 W61 R84	A45-L56 HydrophobicContact CB-CD1 4.48Å; A45-L56 HydrophobicContact CB-CD2 4.05Å; A45-L56 HydrophobicContact CB-CG 4.05Å; N52-L56 VanDerWaalsContact O-CB 3.28Å; N52-L56 WeakPolarHBondContact O-CB 3.42Å; N52-L56 WeakPolarHBondContact O-CG 3.29Å; N52-L56 PolarHBondContact O-N 2.78Å; N52-L56 VanDerWaalsContact O-N 3.1Å; L54-L56 PolarHBondContact O-N 2.97Å; L56-W61 HydrophobicContact CD2-CZ2 4.13Å; L56-R84 PolarHBondContact O-NH2 3.28Å
57	D	85.4	Confident	84.3	Confident	41 Å²	41	53.9 Å²	53.9	22%	0.219	28%	0.28	C	S	.	.			trans	-67.5	130.2	171.7	-173.7	-75.1	0	0	0	110	K26 L30 V53 L54 S59 N60	K26-D57 IonicContact NZ-OD2 2.81Å; L30-D57 HydrophobicContact CD2-CB 3.57Å; V53-D57 PolarHBondContact O-N 2.58Å; V53-D57 VanDerWaalsContact O-N 3.16Å; L54-D57 WeakPolarHBondContact O-CB 3.31Å; L54-D57 PolarHBondContact O-N 2.97Å; L54-D57 VanDerWaalsContact O-N 3.1Å; D57-S59 PolarHBondContact O-N 2.97Å; D57-S59 VanDerWaalsContact OD1-CB 3.29Å; D57-S59 WeakPolarHBondContact OD1-CB 3.24Å; D57-S59 PolarHBondContact OD1-N 3.02Å; D57-S59 PolarHBondContact OD1-OG 3.01Å; D57-N60 WeakPolarHBondContact O-CB 3.45Å; D57-N60 PolarHBondContact O-N 2.81Å
58	G	78.9	Confident	83	Confident	13 Å²	13	55.2 Å²	55.2	13%	0.134	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-56.3	-25.2	-173.5	0	0	0	0	0	114.7	N60 W61 F88	G58-N60 PolarHBondContact O-N 3.31Å; G58-W61 PolarHBondContact O-N 3.34Å; G58-W61 VanDerWaalsContact O-N 3.07Å; G58-F88 WeakPolarHBondContact O-CB 3.42Å
59	S	83.1	Confident	81.7	Confident	40 Å²	40	56.9 Å²	56.9	28%	0.28	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-62.7	-26.3	176.1	63.1	0	0	0	0	113.7	D57 W61 Q62	D57-S59 PolarHBondContact O-N 2.97Å; D57-S59 VanDerWaalsContact OD1-CB 3.29Å; D57-S59 WeakPolarHBondContact OD1-CB 3.24Å; D57-S59 PolarHBondContact OD1-N 3.02Å; D57-S59 PolarHBondContact OD1-OG 3.01Å; S59-W61 VanDerWaalsContact C-N 3.31Å; S59-Q62 WeakPolarHBondContact O-CG 3.48Å
60	N	84.9	Confident	80.6	Confident	15 Å²	15	56.6 Å²	56.6	8%	0.08	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-80.4	-11.8	176.3	-65.9	-38.7	0	0	0	113.3	L30 S34 L41 L54 D57 G58	L30-N60 WeakPolarHBondContact CD2-ND2 3.33Å; L30-N60 PolarHBondContact O-OD1 3.16Å; S34-N60 PolarHBondContact N-OD1 2.83Å; L41-N60 HydrophobicContact CD1-CB 4.1Å; L41-N60 HydrophobicContact CD2-CB 4.25Å; L54-N60 PolarHBondContact O-ND2 3.3Å; D57-N60 WeakPolarHBondContact O-CB 3.45Å; D57-N60 PolarHBondContact O-N 2.81Å; G58-N60 PolarHBondContact O-N 3.31Å
61	W	85.1	Confident	79.6	Confident	19 Å²	19	59.8 Å²	59.8	7%	0.072	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-112.6	24.3	-174.4	-56.4	87.4	0	0	0	112.4	V38 L41 A55 L56 G58 S59 K63 I64 C85 L89	V38-W61 HydrophobicContact CB-CZ3 4.22Å; V38-W61 HydrophobicContact CG1-CH2 4.15Å; V38-W61 HydrophobicContact CG1-CZ3 3.69Å; V38-W61 HydrophobicContact CG2-CE3 4.42Å; V38-W61 HydrophobicContact CG2-CZ3 3.97Å; L41-W61 HydrophobicContact CB-CH2 4.09Å; L41-W61 HydrophobicContact CB-CZ2 3.91Å; L41-W61 HydrophobicContact CD1-CZ2 4.27Å; A55-W61 PolarHBondContact O-NE1 3.23Å; L56-W61 HydrophobicContact CD2-CZ2 4.13Å; G58-W61 PolarHBondContact O-N 3.34Å; G58-W61 VanDerWaalsContact O-N 3.07Å; S59-W61 VanDerWaalsContact C-N 3.31Å; W61-K63 VanDerWaalsContact C-N 3.28Å; W61-K63 PolarHBondContact O-N 3.47Å; W61-I64 HydrophobicContact CE3-CD1 3.93Å; W61-I64 HydrophobicContact CE3-CG1 4.35Å; W61-C85 HydrophobicContact CB-CB 4.33Å; W61-L89 WeakPolarHBondContact O-CD1 3.39Å
62	Q	84.6	Confident	79	Confident	75 Å²	75	61.1 Å²	61.1	35%	0.35	32%	0.315	S	S	.	.	S	Bend	trans	-68.8	-29.2	178.6	-69.5	-174.6	11.1	0	0	112.7	S59 R90 Q91	S59-Q62 WeakPolarHBondContact O-CG 3.48Å; Q62-R90 PolarHBondContact O-N 3.26Å; Q62-Q91 PolarHBondContact O-N 3.1Å
63	K	85	Confident	78.8	Confident	136 Å²	136	58.5 Å²	58.5	59%	0.591	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.4	-179	-56.4	-172.7	179.1	-172	0	109.3	W61 Q91	W61-K63 VanDerWaalsContact C-N 3.28Å; W61-K63 PolarHBondContact O-N 3.47Å; K63-Q91 WeakPolarHBondContact CA-O 3.12Å; K63-Q91 HydrophobicContact CB-CB 4.3Å; K63-Q91 VanDerWaalsContact CD-OE1 3.29Å; K63-Q91 VanDerWaalsContact CE-OE1 3.28Å; K63-Q91 HydrophobicContact CG-CB 4.02Å; K63-Q91 HydrophobicContact CG-CG 4.03Å
64	I	80.6	Confident	78.8	Confident	5 Å²	5	60.5 Å²	60.5	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	124.2	178.4	-65.1	177.3	0	0	0	108	V38 W61 L66 I81 L89 Q91 L92 S93	V38-I64 HydrophobicContact CG2-CG1 4.32Å; V38-I64 HydrophobicContact CG2-CG2 4.25Å; W61-I64 HydrophobicContact CE3-CD1 3.93Å; W61-I64 HydrophobicContact CE3-CG1 4.35Å; I64-L66 HydrophobicContact CG2-CD2 3.34Å; I64-L66 HydrophobicContact CG2-CG 3.74Å; I64-I81 HydrophobicContact CD1-CG2 3.55Å; I64-L89 HydrophobicContact CB-CD1 4.24Å; I64-L89 HydrophobicContact CD1-CD1 3.75Å; I64-L89 HydrophobicContact CG1-CD1 3.86Å; I64-Q91 PolarHBondContact N-O 3.28Å; I64-L92 HydrophobicContact CB-CD1 3.89Å; I64-L92 HydrophobicContact CG2-CD1 3.76Å; I64-L92 CarbonylContact O-C 3.52Å; I64-L92 WeakPolarHBondContact O-CA 3.4Å; I64-S93 PolarHBondContact O-N 3.43Å
65	D	79.1	Confident	78.7	Confident	69 Å²	69	60.5 Å²	60.5	37%	0.369	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	113.4	168.8	-172.3	2.6	0	0	0	109.1	F67 S93	D65-F67 WeakPolarHBondContact OD1-CB 3.39Å; D65-F67 PolarHBondContact OD1-N 3.07Å; D65-S93 VanDerWaalsContact OD1-CB 3.28Å; D65-S93 WeakPolarHBondContact OD1-CB 3.44Å; D65-S93 PolarHBondContact OD1-OG 3.06Å
66	L	77.1	Confident	78.8	Confident	6 Å²	6	69 Å²	69	3%	0.031	34%	0.339	C	S	.	.			trans	-95.6	1	-178.7	-51.6	-179	0	0	0	113.4	I64 N68 F69 I73 I81 L92 S93 L94	I64-L66 HydrophobicContact CG2-CD2 3.34Å; I64-L66 HydrophobicContact CG2-CG 3.74Å; L66-N68 PolarHBondContact O-N 3.28Å; L66-F69 HydrophobicContact CB-CD2 4.06Å; L66-F69 HydrophobicContact CB-CE2 4.32Å; L66-F69 HydrophobicContact CD2-CD2 4.14Å; L66-F69 HydrophobicContact CD2-CE2 3.59Å; L66-F69 WeakPolarHBondContact O-CD2 3.41Å; L66-F69 PolarHBondContact O-N 3.21Å; L66-I73 HydrophobicContact CB-CD1 3.19Å; L66-I73 HydrophobicContact CD1-CD1 3.68Å; L66-I73 HydrophobicContact CD1-CG2 4.37Å; L66-I73 HydrophobicContact CG-CD1 4Å; L66-I81 HydrophobicContact CD1-CD1 3.55Å; L66-I81 HydrophobicContact CD2-CD1 3.91Å; L66-I81 HydrophobicContact CG-CD1 4.31Å; L66-L92 HydrophobicContact CG-CD1 4.48Å; L66-S93 PolarHBondContact N-O 2.89Å; L66-S93 VanDerWaalsContact N-O 3.1Å; L66-L94 HydrophobicContact CD1-CD2 3.52Å; L66-L94 HydrophobicContact CG-CD2 4.22Å
67	F	70.2	Confident	79	Confident	106 Å²	106	70.2 Å²	70.2	47%	0.465	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-61.4	-31.8	175.7	-178.5	-107.5	0	0	0	112.3	D65 F69 Q70 R95	D65-F67 WeakPolarHBondContact OD1-CB 3.39Å; D65-F67 PolarHBondContact OD1-N 3.07Å; F67-F69 PolarHBondContact O-N 2.83Å; F67-Q70 PolarHBondContact O-N 3.16Å; F67-Q70 VanDerWaalsContact O-N 3.16Å; F67-R95 HydrophobicContact CD2-CB 4.41Å; F67-R95 HydrophobicContact CD2-CG 4.34Å; F67-R95 WeakPolarHBondContact CD2-O 3.23Å
68	N	63.9	Low	79.2	Confident	116 Å²	116	68.3 Å²	68.3	62%	0.62	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-64.6	-13.2	-176.1	-65.1	-39.1	0	0	0	114.6	L66 Q70	L66-N68 PolarHBondContact O-N 3.28Å; N68-Q70 PolarHBondContact O-N 2.91Å
69	F	62.4	Low	79.8	Confident	78 Å²	78	70.1 Å²	70.1	34%	0.342	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-75.6	-14	177.8	-67.1	-83.1	0	0	0	113	V38 V39 L66 F67 T71 I73	V38-F69 HydrophobicContact CB-CZ 4.45Å; V38-F69 HydrophobicContact CG1-CZ 4.06Å; V39-F69 HydrophobicContact CG2-CD1 4.32Å; V39-F69 HydrophobicContact CG2-CE1 3.36Å; V39-F69 HydrophobicContact CG2-CZ 3.64Å; L66-F69 HydrophobicContact CB-CD2 4.06Å; L66-F69 HydrophobicContact CB-CE2 4.32Å; L66-F69 HydrophobicContact CD2-CD2 4.14Å; L66-F69 HydrophobicContact CD2-CE2 3.59Å; L66-F69 WeakPolarHBondContact O-CD2 3.41Å; L66-F69 PolarHBondContact O-N 3.21Å; F67-F69 PolarHBondContact O-N 2.83Å; F69-T71 PolarHBondContact O-N 3.2Å; F69-T71 PolarHBondContact O-OG1 3.39Å; F69-I73 HydrophobicContact CD2-CD1 4.41Å
70	Q	60.3	Low	79.9	Confident	186 Å²	186	72.3 Å²	72.3	87%	0.869	35%	0.351	S	S	*	.			trans	54.4	14.1	177.6	-59.4	-179.2	1.9	0	0	114.8	F67 N68	F67-Q70 PolarHBondContact O-N 3.16Å; F67-Q70 VanDerWaalsContact O-N 3.16Å; N68-Q70 PolarHBondContact O-N 2.91Å
71	T	66.5	Low	80	Confident	99 Å²	99	72.8 Å²	72.8	61%	0.607	35%	0.354	S	S	*	.	S	Bend	trans	-125.9	139	177.5	55.4	0	0	0	0	108.4	F69 I73	F69-T71 PolarHBondContact O-N 3.2Å; F69-T71 PolarHBondContact O-OG1 3.39Å; T71-I73 WeakPolarHBondContact O-CG1 3.33Å; T71-I73 PolarHBondContact O-N 2.96Å
72	D	78.6	Confident	80.3	Confident	72 Å²	72	71.9 Å²	71.9	39%	0.385	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-58.6	129.9	174.4	-174.6	22	0	0	0	110.6	C97 L98 S99	D72-C97 VanDerWaalsContact OD1-C 3.24Å; D72-C97 WeakPolarHBondContact OD1-CA 3Å; D72-L98 PolarHBondContact OD1-N 3.44Å; D72-S99 PolarHBondContact OD1-N 3.04Å; D72-S99 WeakPolarHBondContact OD2-CB 3.43Å; D72-S99 PolarHBondContact OD2-N 3.38Å; D72-S99 VanDerWaalsContact OD2-N 3.11Å; D72-S99 PolarHBondContact OD2-OG 3.48Å
73	I	82.7	Confident	80.4	Confident	12 Å²	12	74.4 Å²	74.4	6%	0.062	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-96.3	124.6	-171.1	-61.7	-176.1	0	0	0	109.6	L66 F69 T71 V77 V78 C97	L66-I73 HydrophobicContact CB-CD1 3.19Å; L66-I73 HydrophobicContact CD1-CD1 3.68Å; L66-I73 HydrophobicContact CD1-CG2 4.37Å; L66-I73 HydrophobicContact CG-CD1 4Å; F69-I73 HydrophobicContact CD2-CD1 4.41Å; T71-I73 WeakPolarHBondContact O-CG1 3.33Å; T71-I73 PolarHBondContact O-N 2.96Å; I73-V77 HydrophobicContact CG2-CB 3.62Å; I73-V77 HydrophobicContact CG2-CG1 3.88Å; I73-V77 HydrophobicContact CG2-CG2 4.12Å; I73-V78 HydrophobicContact CG2-CG2 4.43Å; I73-C97 HydrophobicContact CB-CB 4.32Å
74	E	87.3	Confident	80.3	Confident	133 Å²	133	74.9 Å²	74.9	62%	0.621	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-67.7	144.1	174.1	-63.1	-177.3	-175.8	0	0	111.6	R76 V77	E74-R76 PolarHBondContact O-N 3.3Å; E74-V77 WeakPolarHBondContact O-CB 3.32Å; E74-V77 PolarHBondContact O-N 3.42Å
75	G	86.6	Confident	80.5	Confident	13 Å²	13	74.8 Å²	74.8	13%	0.134	36%	0.358	C	S	.	.	H	α-helix	trans	-53.7	-29.8	178.4	0	0	0	0	0	114.3	V77 V78 E79 S104	G75-V77 VanDerWaalsContact C-N 3.25Å; G75-V77 PolarHBondContact O-N 3.23Å; G75-V78 WeakPolarHBondContact O-CB 3.39Å; G75-V78 PolarHBondContact O-N 2.9Å; G75-V78 VanDerWaalsContact O-N 3.13Å; G75-E79 PolarHBondContact O-N 3.45Å; G75-S104 WeakPolarHBondContact O-CB 3.39Å
76	R	88.9	Confident	80.9	Confident	178 Å²	178	72.2 Å²	72.2	67%	0.672	35%	0.348	S	S	*	.	H	α-helix	trans	-60.8	-33.1	176.9	-171.7	175	-175.9	-179.9	0.9	112.9	E74 E79 N80	E74-R76 PolarHBondContact O-N 3.3Å; R76-E79 PolarHBondContact O-N 3.01Å; R76-N80 WeakPolarHBondContact O-CB 3.5Å; R76-N80 VanDerWaalsContact O-CG 3.25Å; R76-N80 PolarHBondContact O-N 3.13Å; R76-N80 PolarHBondContact O-ND2 3.41Å
77	V	87.8	Confident	81.4	Confident	63 Å²	63	73.8 Å²	73.8	38%	0.382	37%	0.366	S	S	.	.	H	α-helix	trans	-66.8	-45.3	176.5	178.8	0	0	0	0	109.8	I73 E74 G75 E79 N80 I81	I73-V77 HydrophobicContact CG2-CB 3.62Å; I73-V77 HydrophobicContact CG2-CG1 3.88Å; I73-V77 HydrophobicContact CG2-CG2 4.12Å; E74-V77 WeakPolarHBondContact O-CB 3.32Å; E74-V77 PolarHBondContact O-N 3.42Å; G75-V77 VanDerWaalsContact C-N 3.25Å; G75-V77 PolarHBondContact O-N 3.23Å; V77-E79 VanDerWaalsContact C-N 3.31Å; V77-E79 PolarHBondContact O-N 2.89Å; V77-N80 PolarHBondContact O-N 3.41Å; V77-I81 HydrophobicContact CG1-CD1 3.9Å; V77-I81 HydrophobicContact CG1-CG1 4.49Å; V77-I81 VanDerWaalsContact O-CG1 3.32Å; V77-I81 WeakPolarHBondContact O-CG1 3.46Å; V77-I81 PolarHBondContact O-N 3.2Å
78	V	90.1	Very high	82.3	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.006	37%	0.369	C	S	.	.	H	α-helix	trans	-59.7	-43	175.9	-177.6	0	0	0	0	110.9	I73 G75 N80 I81 S82 L94 V100 M105 F108	I73-V78 HydrophobicContact CG2-CG2 4.43Å; G75-V78 WeakPolarHBondContact O-CB 3.39Å; G75-V78 PolarHBondContact O-N 2.9Å; G75-V78 VanDerWaalsContact O-N 3.13Å; V78-N80 PolarHBondContact O-N 2.67Å; V78-I81 PolarHBondContact O-N 2.95Å; V78-S82 WeakPolarHBondContact O-CB 3.4Å; V78-S82 PolarHBondContact O-N 2.99Å; V78-L94 HydrophobicContact CG1-CD1 4.07Å; V78-L94 HydrophobicContact CG2-CD1 3.95Å; V78-L94 HydrophobicContact CG2-CD2 3.92Å; V78-V100 HydrophobicContact CG2-CG2 3.82Å; V78-M105 HydrophobicContact CG1-SD 4.23Å; V78-F108 HydrophobicContact CG1-CB 4.13Å; V78-F108 HydrophobicContact CG1-CD2 4.28Å; V78-F108 HydrophobicContact CG1-CG 4.42Å
79	E	90.9	Very high	83.6	Confident	51 Å²	51	69 Å²	69	24%	0.238	34%	0.339	C	S	.	.	H	α-helix	trans	-61.1	-45.1	175.4	-69.8	179.6	-150.8	0	0	112.5	G75 R76 V77 S82 K83 T107	G75-E79 PolarHBondContact O-N 3.45Å; R76-E79 PolarHBondContact O-N 3.01Å; V77-E79 VanDerWaalsContact C-N 3.31Å; V77-E79 PolarHBondContact O-N 2.89Å; E79-S82 PolarHBondContact O-N 3.45Å; E79-S82 PolarHBondContact O-OG 2.91Å; E79-K83 WeakPolarHBondContact O-CG 3.42Å; E79-K83 PolarHBondContact O-N 2.91Å; E79-T107 HydrophobicContact CB-CG2 4.25Å; E79-T107 HydrophobicContact CG-CG2 3.93Å
80	N	86.5	Confident	85.2	Confident	85 Å²	85	70.9 Å²	70.9	46%	0.455	34%	0.344	S	S	.	.	H	α-helix	trans	-63.8	-44	178.7	-73.7	-22.1	0	0	0	111.6	R76 V77 V78 S82 K83 R84	R76-N80 WeakPolarHBondContact O-CB 3.5Å; R76-N80 VanDerWaalsContact O-CG 3.25Å; R76-N80 PolarHBondContact O-N 3.13Å; R76-N80 PolarHBondContact O-ND2 3.41Å; V77-N80 PolarHBondContact O-N 3.41Å; V78-N80 PolarHBondContact O-N 2.67Å; N80-S82 VanDerWaalsContact C-N 3.28Å; N80-S82 PolarHBondContact O-N 2.96Å; N80-K83 PolarHBondContact O-N 3.32Å; N80-R84 WeakPolarHBondContact O-CB 3.39Å; N80-R84 PolarHBondContact O-N 3.49Å
81	I	86.3	Confident	86.9	Confident	26 Å²	26	65 Å²	65	13%	0.133	32%	0.317	C	S	.	.	H	α-helix	trans	-57.9	-45.2	173.7	-70.3	168.1	0	0	0	109.7	I64 L66 V77 V78 K83 R84 C85 L89	I64-I81 HydrophobicContact CD1-CG2 3.55Å; L66-I81 HydrophobicContact CD1-CD1 3.55Å; L66-I81 HydrophobicContact CD2-CD1 3.91Å; L66-I81 HydrophobicContact CG-CD1 4.31Å; V77-I81 HydrophobicContact CG1-CD1 3.9Å; V77-I81 HydrophobicContact CG1-CG1 4.49Å; V77-I81 VanDerWaalsContact O-CG1 3.32Å; V77-I81 WeakPolarHBondContact O-CG1 3.46Å; V77-I81 PolarHBondContact O-N 3.2Å; V78-I81 PolarHBondContact O-N 2.95Å; I81-K83 VanDerWaalsContact C-N 3.34Å; I81-K83 PolarHBondContact O-N 3.29Å; I81-R84 PolarHBondContact O-N 3.42Å; I81-C85 WeakPolarHBondContact O-CB 3.34Å; I81-C85 PolarHBondContact O-N 2.8Å; I81-C85 PolarHBondContact O-SG 3.03Å; I81-L89 HydrophobicContact CG2-CD2 4.38Å
82	S	90.8	Very high	88.2	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-40.7	-179.1	81.7	0	0	0	0	112.9	V78 E79 N80 G86 N111 C112	V78-S82 WeakPolarHBondContact O-CB 3.4Å; V78-S82 PolarHBondContact O-N 2.99Å; E79-S82 PolarHBondContact O-N 3.45Å; E79-S82 PolarHBondContact O-OG 2.91Å; N80-S82 VanDerWaalsContact C-N 3.28Å; N80-S82 PolarHBondContact O-N 2.96Å; S82-G86 VanDerWaalsContact O-CA 3.23Å; S82-G86 WeakPolarHBondContact O-CA 3.4Å; S82-G86 PolarHBondContact O-N 2.91Å; S82-N111 WeakPolarHBondContact O-CB 3.28Å; S82-N111 PolarHBondContact OG-ND2 2.89Å; S82-C112 VanDerWaalsContact CA-SG 3.58Å
83	K	87.5	Confident	88.9	Confident	128 Å²	128	58 Å²	58	56%	0.557	28%	0.277	S	S	*	.	H	α-helix	trans	-69.8	-36.2	177.8	-69.6	169.2	-172.7	165.4	0	111.3	E79 N80 I81	E79-K83 WeakPolarHBondContact O-CG 3.42Å; E79-K83 PolarHBondContact O-N 2.91Å; N80-K83 PolarHBondContact O-N 3.32Å; I81-K83 VanDerWaalsContact C-N 3.34Å; I81-K83 PolarHBondContact O-N 3.29Å
84	R	83.6	Confident	89.4	Confident	145 Å²	145	57.5 Å²	57.5	55%	0.547	27%	0.274	S	S	.	.	H	α-helix	trans	-75	-48.5	-178.6	-179.1	68.7	-154.8	-175.1	14	112.4	L56 N80 I81	L56-R84 PolarHBondContact O-NH2 3.28Å; N80-R84 WeakPolarHBondContact O-CB 3.39Å; N80-R84 PolarHBondContact O-N 3.49Å; I81-R84 PolarHBondContact O-N 3.42Å
85	C	84.6	Confident	89.5	Confident	4 Å²	4	57.1 Å²	57.1	3%	0.027	27%	0.267	C	S	.	.	H	α-helix	trans	-84.6	-37.1	-173.9	-50.7	0	0	0	0	111.1	W61 I81 G87 F88 L89	W61-C85 HydrophobicContact CB-CB 4.33Å; I81-C85 WeakPolarHBondContact O-CB 3.34Å; I81-C85 PolarHBondContact O-N 2.8Å; I81-C85 PolarHBondContact O-SG 3.03Å; C85-G87 PolarHBondContact O-N 2.91Å; C85-F88 PolarHBondContact O-N 3.39Å; C85-L89 HydrophobicContact CB-CB 3.91Å; C85-L89 HydrophobicContact CB-CD2 4.45Å
86	G	87.5	Confident	89.5	Confident	15 Å²	15	58.2 Å²	58.2	16%	0.155	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	48.1	-125.9	177.4	0	0	0	0	0	112.6	S82 F88 L89 N111	S82-G86 VanDerWaalsContact O-CA 3.23Å; S82-G86 WeakPolarHBondContact O-CA 3.4Å; S82-G86 PolarHBondContact O-N 2.91Å; G86-F88 PolarHBondContact O-N 3.3Å; G86-F88 VanDerWaalsContact O-N 3.16Å; G86-L89 PolarHBondContact O-N 3.11Å; G86-N111 CarbonylContact C-O 3.59Å; G86-N111 VanDerWaalsContact C-O 3.3Å; G86-N111 WeakPolarHBondContact CA-O 3.28Å
87	G	86.7	Confident	89.5	Confident	39 Å²	39	50 Å²	50	40%	0.402	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-69.4	-4.9	-177.5	0	0	0	0	0	116.2	C85 N114	C85-G87 PolarHBondContact O-N 2.91Å; G87-N114 WeakPolarHBondContact O-CB 3.36Å; G87-N114 PolarHBondContact O-ND2 2.86Å
88	F	89.6	Confident	89.5	Confident	122 Å²	122	51 Å²	51	54%	0.535	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-87.7	-22.7	177.9	-66.8	-78.8	0	0	0	113.3	G58 C85 G86 R90	G58-F88 WeakPolarHBondContact O-CB 3.42Å; C85-F88 PolarHBondContact O-N 3.39Å; G86-F88 PolarHBondContact O-N 3.3Å; G86-F88 VanDerWaalsContact O-N 3.16Å; F88-R90 PolarHBondContact O-N 3.16Å
89	L	91.7	Very high	89.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.266	C	S	.	.			trans	-71.1	121.9	-176.8	-170.5	62.2	0	0	0	110.3	W61 I64 I81 C85 G86 Q91 L92 F108 N114 I115	W61-L89 WeakPolarHBondContact O-CD1 3.39Å; I64-L89 HydrophobicContact CB-CD1 4.24Å; I64-L89 HydrophobicContact CD1-CD1 3.75Å; I64-L89 HydrophobicContact CG1-CD1 3.86Å; I81-L89 HydrophobicContact CG2-CD2 4.38Å; C85-L89 HydrophobicContact CB-CB 3.91Å; C85-L89 HydrophobicContact CB-CD2 4.45Å; G86-L89 PolarHBondContact O-N 3.11Å; L89-Q91 WeakPolarHBondContact CD1-O 3.43Å; L89-L92 HydrophobicContact CD2-CB 4.29Å; L89-L92 HydrophobicContact CD2-CD2 4.5Å; L89-F108 HydrophobicContact CD2-CE2 3.64Å; L89-F108 HydrophobicContact CD2-CZ 4.33Å; L89-N114 CarbonylContact O-C 3.59Å; L89-I115 HydrophobicContact CG-CD1 4.11Å; L89-I115 PolarHBondContact O-N 3.09Å
90	R	95.2	Very high	89.6	Confident	116 Å²	116	50.8 Å²	50.8	44%	0.438	26%	0.255	S	S	.	.			trans	-112.7	-27.7	179.1	-66.8	-169.4	-177.7	-141.2	11.3	112.8	Q62 F88 I115 E116 V117	Q62-R90 PolarHBondContact O-N 3.26Å; F88-R90 PolarHBondContact O-N 3.16Å; R90-I115 VanDerWaalsContact C-CD1 3.49Å; R90-I115 WeakPolarHBondContact O-CD1 3.46Å; R90-E116 WeakPolarHBondContact CD-OE1 3.42Å; R90-E116 IonicContact CZ-OE1 3.97Å; R90-E116 IonicContact NE-OE1 3.56Å; R90-E116 IonicContact NH1-OE1 3.32Å; R90-E116 PolarHBondContact NH1-OE1 2.79Å; R90-E116 PolarHBondContact O-N 3.34Å; R90-V117 PolarHBondContact O-N 3.34Å
91	Q	95.7	Very high	90	Very high	64 Å²	64	47.4 Å²	47.4	30%	0.299	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	127.8	-179.5	-47.5	-171	-11.7	0	0	110.7	Q62 K63 I64 L89 V117	Q62-Q91 PolarHBondContact O-N 3.1Å; K63-Q91 WeakPolarHBondContact CA-O 3.12Å; K63-Q91 HydrophobicContact CB-CB 4.3Å; K63-Q91 VanDerWaalsContact CD-OE1 3.29Å; K63-Q91 VanDerWaalsContact CE-OE1 3.28Å; K63-Q91 HydrophobicContact CG-CB 4.02Å; K63-Q91 HydrophobicContact CG-CG 4.03Å; I64-Q91 PolarHBondContact N-O 3.28Å; L89-Q91 WeakPolarHBondContact CD1-O 3.43Å; Q91-V117 VanDerWaalsContact CA-O 3.28Å; Q91-V117 WeakPolarHBondContact CA-O 3.4Å; Q91-V117 HydrophobicContact CB-CB 4.06Å; Q91-V117 HydrophobicContact CG-CB 3.85Å; Q91-V117 HydrophobicContact CG-CG2 3.98Å
92	L	94.1	Very high	90.6	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	129.6	174.7	178.7	64.2	0	0	0	110.4	I64 L66 L89 L94 F108 I115 V117 L118 N119	I64-L92 HydrophobicContact CB-CD1 3.89Å; I64-L92 HydrophobicContact CG2-CD1 3.76Å; I64-L92 CarbonylContact O-C 3.52Å; I64-L92 WeakPolarHBondContact O-CA 3.4Å; L66-L92 HydrophobicContact CG-CD1 4.48Å; L89-L92 HydrophobicContact CD2-CB 4.29Å; L89-L92 HydrophobicContact CD2-CD2 4.5Å; L92-L94 HydrophobicContact CD1-CD2 3.96Å; L92-L94 HydrophobicContact CD1-CG 4.44Å; L92-L94 HydrophobicContact CD2-CD1 4.01Å; L92-L94 HydrophobicContact CD2-CD2 4.05Å; L92-L94 HydrophobicContact CD2-CG 3.95Å; L92-L94 HydrophobicContact CG-CD2 4.05Å; L92-L94 HydrophobicContact CG-CG 3.98Å; L92-F108 HydrophobicContact CB-CE2 4.47Å; L92-F108 HydrophobicContact CB-CZ 4.35Å; L92-F108 HydrophobicContact CD2-CD2 3.88Å; L92-F108 HydrophobicContact CD2-CE2 3.3Å; L92-F108 HydrophobicContact CD2-CZ 3.68Å; L92-F108 HydrophobicContact CG-CE2 4.49Å; L92-I115 HydrophobicContact CB-CD1 4.14Å; L92-V117 PolarHBondContact N-O 3.4Å; L92-L118 HydrophobicContact CB-CD1 3.99Å; L92-L118 HydrophobicContact CD2-CD1 4.17Å; L92-L118 HydrophobicContact CG-CD1 4.26Å; L92-L118 WeakPolarHBondContact O-CA 3.42Å; L92-N119 PolarHBondContact O-N 3.31Å
93	S	93.3	Very high	90.9	Very high	19 Å²	19	51.2 Å²	51.2	13%	0.133	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.6	168.6	166.1	0	0	0	0	110.6	I64 D65 L66	I64-S93 PolarHBondContact O-N 3.43Å; D65-S93 VanDerWaalsContact OD1-CB 3.28Å; D65-S93 WeakPolarHBondContact OD1-CB 3.44Å; D65-S93 PolarHBondContact OD1-OG 3.06Å; L66-S93 PolarHBondContact N-O 2.89Å; L66-S93 VanDerWaalsContact N-O 3.1Å
94	L	92.3	Very high	91.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.247	C	C	.	.			trans	-117.1	24.9	173.4	-57.5	-178.6	0	0	0	110.9	L66 V78 L92 G96 C97 V100 M105 N119 L120 C123	L66-L94 HydrophobicContact CD1-CD2 3.52Å; L66-L94 HydrophobicContact CG-CD2 4.22Å; V78-L94 HydrophobicContact CG1-CD1 4.07Å; V78-L94 HydrophobicContact CG2-CD1 3.95Å; V78-L94 HydrophobicContact CG2-CD2 3.92Å; L92-L94 HydrophobicContact CD1-CD2 3.96Å; L92-L94 HydrophobicContact CD1-CG 4.44Å; L92-L94 HydrophobicContact CD2-CD1 4.01Å; L92-L94 HydrophobicContact CD2-CD2 4.05Å; L92-L94 HydrophobicContact CD2-CG 3.95Å; L92-L94 HydrophobicContact CG-CD2 4.05Å; L92-L94 HydrophobicContact CG-CG 3.98Å; L94-G96 PolarHBondContact O-N 3.47Å; L94-C97 HydrophobicContact CB-CB 4.34Å; L94-C97 VanDerWaalsContact O-CB 3.23Å; L94-C97 WeakPolarHBondContact O-CB 3.17Å; L94-C97 PolarHBondContact O-N 3.04Å; L94-C97 PolarHBondContact O-SG 3.49Å; L94-V100 HydrophobicContact CD1-CG1 4Å; L94-V100 HydrophobicContact CD1-CG2 4.38Å; L94-M105 HydrophobicContact CD1-SD 3.72Å; L94-N119 PolarHBondContact N-O 3.18Å; L94-L120 HydrophobicContact CB-CD2 4.21Å; L94-L120 HydrophobicContact CD1-CD2 3.86Å; L94-L120 HydrophobicContact CG-CD2 4.36Å; L94-C123 PolarHBondContact O-SG 3.18Å
95	R	90.5	Very high	91.9	Very high	126 Å²	126	38.5 Å²	38.5	48%	0.475	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	131.3	-177.6	178	174.1	-177.2	-168.4	-0.2	110.9	F67 C97 N121	F67-R95 HydrophobicContact CD2-CB 4.41Å; F67-R95 HydrophobicContact CD2-CG 4.34Å; F67-R95 WeakPolarHBondContact CD2-O 3.23Å; R95-C97 PolarHBondContact O-N 3.42Å; R95-N121 CarbonylContact C-O 3.51Å; R95-N121 VanDerWaalsContact CA-O 3.31Å; R95-N121 WeakPolarHBondContact CA-O 3.4Å; R95-N121 HydrophobicContact CB-CB 4.42Å; R95-N121 HydrophobicContact CG-CB 4.02Å
96	G	85.5	Confident	92.6	Very high	36 Å²	36	43.2 Å²	43.2	37%	0.371	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	5	178.3	0	0	0	0	0	115.4	L94 L98 N121	L94-G96 PolarHBondContact O-N 3.47Å; G96-L98 PolarHBondContact O-N 3.35Å; G96-N121 PolarHBondContact N-O 3.09Å
97	C	89.1	Confident	93.1	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.027	24%	0.243	C	C	.	.			trans	-80	85.3	177.7	-60.1	0	0	0	0	110.2	D72 I73 L94 R95 S99 V100 C123	D72-C97 VanDerWaalsContact OD1-C 3.24Å; D72-C97 WeakPolarHBondContact OD1-CA 3Å; I73-C97 HydrophobicContact CB-CB 4.32Å; L94-C97 HydrophobicContact CB-CB 4.34Å; L94-C97 VanDerWaalsContact O-CB 3.23Å; L94-C97 WeakPolarHBondContact O-CB 3.17Å; L94-C97 PolarHBondContact O-N 3.04Å; L94-C97 PolarHBondContact O-SG 3.49Å; R95-C97 PolarHBondContact O-N 3.42Å; C97-S99 PolarHBondContact O-N 3.02Å; C97-V100 HydrophobicContact CB-CB 4.37Å; C97-V100 HydrophobicContact CB-CG2 3.65Å; C97-V100 PolarHBondContact O-N 2.98Å; C97-C123 PolarHBondContact O-SG 3.02Å
98	L	89.2	Confident	93.6	Very high	86 Å²	86	42.2 Å²	42.2	45%	0.45	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.1	-176.5	-54	-177.2	0	0	0	113.4	D72 G96 G122 T124 K125	D72-L98 PolarHBondContact OD1-N 3.44Å; G96-L98 PolarHBondContact O-N 3.35Å; L98-G122 WeakPolarHBondContact CD2-O 3.37Å; L98-T124 HydrophobicContact CD2-CG2 4.44Å; L98-K125 WeakPolarHBondContact O-CD 3.45Å; L98-K125 WeakPolarHBondContact O-CG 3.41Å
99	S	90.2	Very high	94	Very high	46 Å²	46	36.4 Å²	36.4	32%	0.322	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-13	-179.5	-75.6	0	0	0	0	114.4	D72 C97 G101	D72-S99 PolarHBondContact OD1-N 3.04Å; D72-S99 WeakPolarHBondContact OD2-CB 3.43Å; D72-S99 PolarHBondContact OD2-N 3.38Å; D72-S99 VanDerWaalsContact OD2-N 3.11Å; D72-S99 PolarHBondContact OD2-OG 3.48Å; C97-S99 PolarHBondContact O-N 3.02Å; S99-G101 PolarHBondContact O-N 2.56Å
100	V	92.2	Very high	94.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.			trans	-72.9	126.3	176.8	176.9	0	0	0	0	109.7	V78 L94 C97 M105 I126	V78-V100 HydrophobicContact CG2-CG2 3.82Å; L94-V100 HydrophobicContact CD1-CG1 4Å; L94-V100 HydrophobicContact CD1-CG2 4.38Å; C97-V100 HydrophobicContact CB-CB 4.37Å; C97-V100 HydrophobicContact CB-CG2 3.65Å; C97-V100 PolarHBondContact O-N 2.98Å; V100-M105 HydrophobicContact CG1-CG 3.82Å; V100-M105 HydrophobicContact CG1-SD 3.76Å; V100-I126 HydrophobicContact CG1-CD1 4.38Å
101	G	95.1	Very high	94.3	Very high	14 Å²	14	37 Å²	37	14%	0.144	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-132.3	-176.2	179.5	0	0	0	0	0	113.2	S99 A103 S104 M105	S99-G101 PolarHBondContact O-N 2.56Å; G101-A103 VanDerWaalsContact C-N 3.3Å; G101-A103 PolarHBondContact O-N 3.11Å; G101-S104 PolarHBondContact N-OG 2.8Å; G101-S104 PolarHBondContact O-N 3.5Å; G101-S104 PolarHBondContact O-OG 3Å; G101-M105 PolarHBondContact O-N 2.94Å; G101-M105 VanDerWaalsContact O-N 3.13Å
102	D	97.8	Very high	94.3	Very high	33 Å²	33	34 Å²	34	18%	0.176	19%	0.194	C	C	.	.	H	α-helix	trans	-59.6	-35.2	-171.3	-62.2	-38.7	0	0	0	114.2	M105 K106 T127 T130	D102-M105 PolarHBondContact O-N 2.81Å; D102-K106 VanDerWaalsContact O-CB 3.25Å; D102-K106 WeakPolarHBondContact O-CB 3.38Å; D102-K106 PolarHBondContact O-N 3.37Å; D102-T127 PolarHBondContact OD1-N 2.97Å; D102-T127 PolarHBondContact OD1-OG1 2.85Å; D102-T127 WeakPolarHBondContact OD2-CB 3.49Å; D102-T127 WeakPolarHBondContact OD2-CG2 3.42Å; D102-T127 PolarHBondContact OD2-OG1 3.31Å; D102-T130 WeakPolarHBondContact CA-OG1 3.46Å; D102-T130 WeakPolarHBondContact OD1-CB 3.42Å; D102-T130 PolarHBondContact OD1-N 2.82Å; D102-T130 PolarHBondContact OD1-OG1 3.36Å
103	A	97.2	Very high	94.5	Very high	74 Å²	74	40.9 Å²	40.9	61%	0.612	22%	0.219	S	C	*	.	H	α-helix	trans	-62.3	-50.5	-179.7	0	0	0	0	0	111.8	G101 M105 K106 T107	G101-A103 VanDerWaalsContact C-N 3.3Å; G101-A103 PolarHBondContact O-N 3.11Å; A103-M105 VanDerWaalsContact C-N 3.32Å; A103-M105 PolarHBondContact O-N 3.42Å; A103-K106 PolarHBondContact O-N 3.16Å; A103-T107 PolarHBondContact O-N 3.3Å; A103-T107 PolarHBondContact O-OG1 2.89Å
104	S	96.1	Very high	94.6	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-63.1	-39.5	176.2	42.1	0	0	0	0	111.8	G75 G101 T107 F108	G75-S104 WeakPolarHBondContact O-CB 3.39Å; G101-S104 PolarHBondContact N-OG 2.8Å; G101-S104 PolarHBondContact O-N 3.5Å; G101-S104 PolarHBondContact O-OG 3Å; S104-T107 PolarHBondContact O-N 2.72Å; S104-F108 WeakPolarHBondContact O-CB 3.31Å; S104-F108 PolarHBondContact O-N 3.26Å
105	M	97.6	Very high	94.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-71.2	-31	179.7	-70.8	-49.4	-58.9	0	0	113.2	V78 L94 V100 G101 D102 A103 F108 A109 L118 L120 I126 T130	V78-M105 HydrophobicContact CG1-SD 4.23Å; L94-M105 HydrophobicContact CD1-SD 3.72Å; V100-M105 HydrophobicContact CG1-CG 3.82Å; V100-M105 HydrophobicContact CG1-SD 3.76Å; G101-M105 PolarHBondContact O-N 2.94Å; G101-M105 VanDerWaalsContact O-N 3.13Å; D102-M105 PolarHBondContact O-N 2.81Å; A103-M105 VanDerWaalsContact C-N 3.32Å; A103-M105 PolarHBondContact O-N 3.42Å; M105-F108 HydrophobicContact CE-CB 4.45Å; M105-F108 HydrophobicContact CE-CD1 3.5Å; M105-F108 VanDerWaalsContact CE-CD1 3.5Å; M105-F108 HydrophobicContact CE-CE1 4Å; M105-F108 HydrophobicContact CE-CG 4.12Å; M105-F108 WeakPolarHBondContact O-CB 3.23Å; M105-F108 PolarHBondContact O-N 2.83Å; M105-A109 WeakPolarHBondContact O-CB 3.16Å; M105-A109 PolarHBondContact O-N 3.03Å; M105-L118 HydrophobicContact CE-CD1 4.34Å; M105-L118 HydrophobicContact CE-CD2 3.93Å; M105-L120 HydrophobicContact CE-CD1 4.27Å; M105-L120 HydrophobicContact CE-CD2 3.86Å; M105-L120 HydrophobicContact SD-CD2 4.12Å; M105-I126 HydrophobicContact CB-CD1 4.33Å; M105-I126 HydrophobicContact CG-CD1 3.51Å; M105-T130 HydrophobicContact CB-CG2 3.76Å; M105-T130 HydrophobicContact CG-CG2 4.14Å
106	K	98.3	Very high	95.3	Very high	103 Å²	103	38.3 Å²	38.3	45%	0.448	21%	0.212	S	C	.	.	H	α-helix	trans	-64.3	-48.8	171.8	179.7	178.3	-180	179.6	0	111.2	D102 A103 F108 A109 Q110	D102-K106 VanDerWaalsContact O-CB 3.25Å; D102-K106 WeakPolarHBondContact O-CB 3.38Å; D102-K106 PolarHBondContact O-N 3.37Å; A103-K106 PolarHBondContact O-N 3.16Å; K106-F108 VanDerWaalsContact C-N 3.29Å; K106-F108 PolarHBondContact O-N 3.21Å; K106-A109 PolarHBondContact O-N 3.29Å; K106-Q110 VanDerWaalsContact O-CG 3.28Å; K106-Q110 WeakPolarHBondContact O-CG 3.47Å; K106-Q110 PolarHBondContact O-N 2.87Å; K106-Q110 VanDerWaalsContact O-N 3.11Å
107	T	97.6	Very high	95.9	Very high	33 Å²	33	38.1 Å²	38.1	20%	0.202	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-41.2	175.4	-62.9	0	0	0	0	111.2	E79 A103 S104 Q110 N111	E79-T107 HydrophobicContact CB-CG2 4.25Å; E79-T107 HydrophobicContact CG-CG2 3.93Å; A103-T107 PolarHBondContact O-N 3.3Å; A103-T107 PolarHBondContact O-OG1 2.89Å; S104-T107 PolarHBondContact O-N 2.72Å; T107-Q110 PolarHBondContact O-N 3.1Å; T107-N111 PolarHBondContact O-N 3.11Å; T107-N111 PolarHBondContact O-ND2 3.3Å
108	F	97.5	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.6	-53.8	174.1	167.9	-95	0	0	0	112.3	V78 L89 L92 S104 M105 K106 Q110 N111 C112 I115 L118	V78-F108 HydrophobicContact CG1-CB 4.13Å; V78-F108 HydrophobicContact CG1-CD2 4.28Å; V78-F108 HydrophobicContact CG1-CG 4.42Å; L89-F108 HydrophobicContact CD2-CE2 3.64Å; L89-F108 HydrophobicContact CD2-CZ 4.33Å; L92-F108 HydrophobicContact CB-CE2 4.47Å; L92-F108 HydrophobicContact CB-CZ 4.35Å; L92-F108 HydrophobicContact CD2-CD2 3.88Å; L92-F108 HydrophobicContact CD2-CE2 3.3Å; L92-F108 HydrophobicContact CD2-CZ 3.68Å; L92-F108 HydrophobicContact CG-CE2 4.49Å; S104-F108 WeakPolarHBondContact O-CB 3.31Å; S104-F108 PolarHBondContact O-N 3.26Å; M105-F108 HydrophobicContact CE-CB 4.45Å; M105-F108 HydrophobicContact CE-CD1 3.5Å; M105-F108 VanDerWaalsContact CE-CD1 3.5Å; M105-F108 HydrophobicContact CE-CE1 4Å; M105-F108 HydrophobicContact CE-CG 4.12Å; M105-F108 WeakPolarHBondContact O-CB 3.23Å; M105-F108 PolarHBondContact O-N 2.83Å; K106-F108 VanDerWaalsContact C-N 3.29Å; K106-F108 PolarHBondContact O-N 3.21Å; F108-Q110 VanDerWaalsContact C-N 3.26Å; F108-Q110 PolarHBondContact O-N 3.29Å; F108-N111 PolarHBondContact O-N 3.03Å; F108-N111 VanDerWaalsContact O-N 3.11Å; F108-C112 HydrophobicContact CD2-CB 4.14Å; F108-C112 HydrophobicContact CE1-CB 4.41Å; F108-C112 HydrophobicContact CE2-CB 3.73Å; F108-C112 HydrophobicContact CZ-CB 3.89Å; F108-C112 WeakPolarHBondContact O-CB 3.36Å; F108-C112 PolarHBondContact O-N 3.32Å; F108-I115 HydrophobicContact CE1-CG1 4.48Å; F108-I115 HydrophobicContact CZ-CB 4.43Å; F108-I115 HydrophobicContact CZ-CD1 3.94Å; F108-I115 HydrophobicContact CZ-CG1 4.05Å; F108-L118 HydrophobicContact CE1-CD1 4.09Å; F108-L118 HydrophobicContact CE1-CD2 4.22Å; F108-L118 HydrophobicContact CZ-CD1 4.16Å
109	A	97.9	Very high	96.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.8	-39.5	-177.6	0	0	0	0	0	111.8	M105 K106 N111 L134 F137	M105-A109 WeakPolarHBondContact O-CB 3.16Å; M105-A109 PolarHBondContact O-N 3.03Å; K106-A109 PolarHBondContact O-N 3.29Å; A109-N111 VanDerWaalsContact C-N 3.32Å; A109-N111 PolarHBondContact O-N 3.29Å; A109-L134 HydrophobicContact CB-CD2 4.19Å; A109-F137 HydrophobicContact CB-CB 4.25Å; A109-F137 HydrophobicContact CB-CD2 4.09Å; A109-F137 WeakPolarHBondContact O-CB 3.3Å
110	Q	97.5	Very high	97.1	Very high	70 Å²	70	33.4 Å²	33.4	33%	0.327	18%	0.175	S	C	.	.	H	α-helix	trans	-62.3	-37	178.4	-73.4	172.3	-11.3	0	0	113.4	K106 T107 F108 R113 F137	K106-Q110 VanDerWaalsContact O-CG 3.28Å; K106-Q110 WeakPolarHBondContact O-CG 3.47Å; K106-Q110 PolarHBondContact O-N 2.87Å; K106-Q110 VanDerWaalsContact O-N 3.11Å; T107-Q110 PolarHBondContact O-N 3.1Å; F108-Q110 VanDerWaalsContact C-N 3.26Å; F108-Q110 PolarHBondContact O-N 3.29Å; Q110-R113 PolarHBondContact O-NE 3.36Å; Q110-R113 VanDerWaalsContact O-NE 3.09Å; Q110-F137 HydrophobicContact CG-CD1 4.39Å; Q110-F137 HydrophobicContact CG-CD2 3.76Å; Q110-F137 HydrophobicContact CG-CE1 4.1Å; Q110-F137 HydrophobicContact CG-CE2 3.45Å; Q110-F137 VanDerWaalsContact CG-CE2 3.45Å; Q110-F137 HydrophobicContact CG-CG 4.25Å; Q110-F137 HydrophobicContact CG-CZ 3.63Å
111	N	96.4	Very high	97.2	Very high	59 Å²	59	34.8 Å²	34.8	32%	0.316	18%	0.183	S	C	.	.	H	α-helix	trans	-90.8	-34	-175.9	-66.5	-32.8	0	0	0	113	S82 G86 T107 F108 A109	S82-N111 WeakPolarHBondContact O-CB 3.28Å; S82-N111 PolarHBondContact OG-ND2 2.89Å; G86-N111 CarbonylContact C-O 3.59Å; G86-N111 VanDerWaalsContact C-O 3.3Å; G86-N111 WeakPolarHBondContact CA-O 3.28Å; T107-N111 PolarHBondContact O-N 3.11Å; T107-N111 PolarHBondContact O-ND2 3.3Å; F108-N111 PolarHBondContact O-N 3.03Å; F108-N111 VanDerWaalsContact O-N 3.11Å; A109-N111 VanDerWaalsContact C-N 3.32Å; A109-N111 PolarHBondContact O-N 3.29Å
112	C	95.8	Very high	97.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.182	C	C	.	.			trans	-105.3	54.9	-171.4	-59.5	0	0	0	0	112.6	S82 F108 N114 I115	S82-C112 VanDerWaalsContact CA-SG 3.58Å; F108-C112 HydrophobicContact CD2-CB 4.14Å; F108-C112 HydrophobicContact CE1-CB 4.41Å; F108-C112 HydrophobicContact CE2-CB 3.73Å; F108-C112 HydrophobicContact CZ-CB 3.89Å; F108-C112 WeakPolarHBondContact O-CB 3.36Å; F108-C112 PolarHBondContact O-N 3.32Å; C112-N114 PolarHBondContact O-N 3.34Å; C112-N114 VanDerWaalsContact O-N 3.1Å; C112-I115 WeakPolarHBondContact O-CB 3.35Å; C112-I115 WeakPolarHBondContact O-CG2 3.25Å; C112-I115 PolarHBondContact O-N 2.8Å; C112-I115 VanDerWaalsContact O-N 3.16Å
113	R	96.9	Very high	97	Very high	149 Å²	149	33.1 Å²	33.1	56%	0.562	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-12.5	-173	-56.2	-175.5	-170.2	176.5	0.4	115.3	Q110 F137	Q110-R113 PolarHBondContact O-NE 3.36Å; Q110-R113 VanDerWaalsContact O-NE 3.09Å; R113-F137 WeakPolarHBondContact CA-O 3.35Å; R113-F137 WeakPolarHBondContact CB-O 3.28Å
114	N	96.8	Very high	96.8	Very high	53 Å²	53	32.6 Å²	32.6	28%	0.283	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	12.1	178.6	-68.7	-34.2	0	0	0	113.1	G87 L89 C112 E116 K140	G87-N114 WeakPolarHBondContact O-CB 3.36Å; G87-N114 PolarHBondContact O-ND2 2.86Å; L89-N114 CarbonylContact O-C 3.59Å; C112-N114 PolarHBondContact O-N 3.34Å; C112-N114 VanDerWaalsContact O-N 3.1Å; N114-E116 PolarHBondContact O-N 3.13Å; N114-K140 PolarHBondContact OD1-NZ 3.09Å
115	I	97.9	Very high	96.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.			trans	-61.4	132.2	176.3	-165.4	74.1	0	0	0	110.4	L89 R90 L92 F108 C112 L118 C138 K140 L141	L89-I115 HydrophobicContact CG-CD1 4.11Å; L89-I115 PolarHBondContact O-N 3.09Å; R90-I115 VanDerWaalsContact C-CD1 3.49Å; R90-I115 WeakPolarHBondContact O-CD1 3.46Å; L92-I115 HydrophobicContact CB-CD1 4.14Å; F108-I115 HydrophobicContact CE1-CG1 4.48Å; F108-I115 HydrophobicContact CZ-CB 4.43Å; F108-I115 HydrophobicContact CZ-CD1 3.94Å; F108-I115 HydrophobicContact CZ-CG1 4.05Å; C112-I115 WeakPolarHBondContact O-CB 3.35Å; C112-I115 WeakPolarHBondContact O-CG2 3.25Å; C112-I115 PolarHBondContact O-N 2.8Å; C112-I115 VanDerWaalsContact O-N 3.16Å; I115-L118 HydrophobicContact CG1-CB 4.41Å; I115-C138 HydrophobicContact CG2-CB 3.66Å; I115-K140 CarbonylContact O-C 3.44Å; I115-L141 HydrophobicContact CG2-CD1 4.23Å; I115-L141 PolarHBondContact O-N 3.45Å
116	E	98.5	Very high	96.7	Very high	38 Å²	38	38 Å²	38	18%	0.178	19%	0.185	C	C	.	.			trans	-114	-33.5	180	-64.2	-179.1	-147.4	0	0	111.3	R90 N114 K142 Q143	R90-E116 WeakPolarHBondContact CD-OE1 3.42Å; R90-E116 IonicContact CZ-OE1 3.97Å; R90-E116 IonicContact NE-OE1 3.56Å; R90-E116 IonicContact NH1-OE1 3.32Å; R90-E116 PolarHBondContact NH1-OE1 2.79Å; R90-E116 PolarHBondContact O-N 3.34Å; N114-E116 PolarHBondContact O-N 3.13Å; E116-K142 WeakPolarHBondContact O-CA 3.41Å; E116-K142 PolarHBondContact O-N 2.59Å; E116-K142 IonicContact OE2-NZ 3.79Å; E116-Q143 PolarHBondContact O-N 2.95Å
117	V	98.6	Very high	96.7	Very high	32 Å²	32	35.3 Å²	35.3	19%	0.194	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.1	-179.8	-178.3	0	0	0	0	109.5	R90 Q91 L92 Q143	R90-V117 PolarHBondContact O-N 3.34Å; Q91-V117 VanDerWaalsContact CA-O 3.28Å; Q91-V117 WeakPolarHBondContact CA-O 3.4Å; Q91-V117 HydrophobicContact CB-CB 4.06Å; Q91-V117 HydrophobicContact CG-CB 3.85Å; Q91-V117 HydrophobicContact CG-CG2 3.98Å; L92-V117 PolarHBondContact N-O 3.4Å; V117-Q143 WeakPolarHBondContact CA-O 3.47Å; V117-Q143 HydrophobicContact CB-CB 4.33Å; V117-Q143 HydrophobicContact CG1-CB 4.06Å; V117-Q143 HydrophobicContact CG2-CB 4.07Å; V117-Q143 HydrophobicContact CG2-CG 4.14Å
118	L	98.4	Very high	96.7	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	123.1	177.7	-176.8	62.5	0	0	0	110.1	L92 M105 F108 I115 L120 L134 L141 Q143 L144 D145	L92-L118 HydrophobicContact CB-CD1 3.99Å; L92-L118 HydrophobicContact CD2-CD1 4.17Å; L92-L118 HydrophobicContact CG-CD1 4.26Å; L92-L118 WeakPolarHBondContact O-CA 3.42Å; M105-L118 HydrophobicContact CE-CD1 4.34Å; M105-L118 HydrophobicContact CE-CD2 3.93Å; F108-L118 HydrophobicContact CE1-CD1 4.09Å; F108-L118 HydrophobicContact CE1-CD2 4.22Å; F108-L118 HydrophobicContact CZ-CD1 4.16Å; I115-L118 HydrophobicContact CG1-CB 4.41Å; L118-L120 HydrophobicContact CD1-CD2 4Å; L118-L120 HydrophobicContact CD1-CG 4.46Å; L118-L120 HydrophobicContact CD2-CD1 4.04Å; L118-L120 HydrophobicContact CD2-CD2 4.33Å; L118-L120 HydrophobicContact CD2-CG 4.18Å; L118-L120 HydrophobicContact CG-CD1 4.39Å; L118-L120 HydrophobicContact CG-CD2 4.06Å; L118-L120 HydrophobicContact CG-CG 3.97Å; L118-L134 HydrophobicContact CD2-CD1 3.86Å; L118-L134 HydrophobicContact CD2-CD2 3.75Å; L118-L134 HydrophobicContact CD2-CG 4.47Å; L118-L141 HydrophobicContact CB-CD1 3.94Å; L118-Q143 PolarHBondContact N-O 2.8Å; L118-L144 HydrophobicContact CB-CD1 4.03Å; L118-L144 HydrophobicContact CD2-CD1 4.06Å; L118-L144 HydrophobicContact CG-CD1 4.16Å; L118-L144 WeakPolarHBondContact O-CA 3.35Å; L118-D145 PolarHBondContact O-N 3.27Å
119	N	97.8	Very high	96.8	Very high	36 Å²	36	38 Å²	38	19%	0.193	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115.3	174.6	-169.2	-37	0	0	0	110.4	L92 L94 N121 D145	L92-N119 PolarHBondContact O-N 3.31Å; L94-N119 PolarHBondContact N-O 3.18Å; N119-N121 WeakPolarHBondContact OD1-CB 3.49Å; N119-N121 PolarHBondContact OD1-N 3.22Å; N119-D145 HydrophobicContact CB-CB 4.24Å; N119-D145 PolarHBondContact ND2-OD2 3.24Å
120	L	96.9	Very high	96.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.			trans	-116.7	20.2	177.3	-55.8	179.4	0	0	0	111.6	L94 M105 L118 G122 C123 T130 D145 L146 C149	L94-L120 HydrophobicContact CB-CD2 4.21Å; L94-L120 HydrophobicContact CD1-CD2 3.86Å; L94-L120 HydrophobicContact CG-CD2 4.36Å; M105-L120 HydrophobicContact CE-CD1 4.27Å; M105-L120 HydrophobicContact CE-CD2 3.86Å; M105-L120 HydrophobicContact SD-CD2 4.12Å; L118-L120 HydrophobicContact CD1-CD2 4Å; L118-L120 HydrophobicContact CD1-CG 4.46Å; L118-L120 HydrophobicContact CD2-CD1 4.04Å; L118-L120 HydrophobicContact CD2-CD2 4.33Å; L118-L120 HydrophobicContact CD2-CG 4.18Å; L118-L120 HydrophobicContact CG-CD1 4.39Å; L118-L120 HydrophobicContact CG-CD2 4.06Å; L118-L120 HydrophobicContact CG-CG 3.97Å; L120-G122 PolarHBondContact O-N 3.47Å; L120-C123 HydrophobicContact CB-CB 4.31Å; L120-C123 VanDerWaalsContact O-CB 3.28Å; L120-C123 WeakPolarHBondContact O-CB 3.1Å; L120-C123 PolarHBondContact O-N 3.44Å; L120-T130 HydrophobicContact CD1-CG2 4.14Å; L120-D145 CarbonylContact C-O 3.4Å; L120-D145 WeakPolarHBondContact CA-O 3.45Å; L120-D145 PolarHBondContact N-O 3.17Å; L120-L146 HydrophobicContact CB-CD2 4.27Å; L120-L146 HydrophobicContact CD1-CD2 3.94Å; L120-C149 PolarHBondContact O-SG 3.09Å
121	N	95.8	Very high	96.9	Very high	30 Å²	30	34.6 Å²	34.6	16%	0.16	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	123.2	-178.9	177.4	-35.9	0	0	0	110.6	R95 G96 N119 C123 T147	R95-N121 CarbonylContact C-O 3.51Å; R95-N121 VanDerWaalsContact CA-O 3.31Å; R95-N121 WeakPolarHBondContact CA-O 3.4Å; R95-N121 HydrophobicContact CB-CB 4.42Å; R95-N121 HydrophobicContact CG-CB 4.02Å; G96-N121 PolarHBondContact N-O 3.09Å; N119-N121 WeakPolarHBondContact OD1-CB 3.49Å; N119-N121 PolarHBondContact OD1-N 3.22Å; N121-C123 VanDerWaalsContact C-N 3.28Å; N121-C123 PolarHBondContact O-N 3.08Å; N121-T147 CarbonylContact C-O 3.44Å; N121-T147 WeakPolarHBondContact CA-O 3.46Å; N121-T147 WeakPolarHBondContact ND2-CB 3.42Å
122	G	93.3	Very high	97	Very high	12 Å²	12	36.9 Å²	36.9	12%	0.124	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	3.9	179.2	0	0	0	0	0	114.9	L98 L120 T124 T147	L98-G122 WeakPolarHBondContact CD2-O 3.37Å; L120-G122 PolarHBondContact O-N 3.47Å; G122-T124 VanDerWaalsContact C-N 3.29Å; G122-T124 PolarHBondContact O-N 3.36Å; G122-T147 PolarHBondContact N-O 2.82Å
123	C	93.9	Very high	97.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.			trans	-73.8	82.8	171.7	-66.1	0	0	0	0	110.1	L94 C97 L120 N121 K125 I126 C149	L94-C123 PolarHBondContact O-SG 3.18Å; C97-C123 PolarHBondContact O-SG 3.02Å; L120-C123 HydrophobicContact CB-CB 4.31Å; L120-C123 VanDerWaalsContact O-CB 3.28Å; L120-C123 WeakPolarHBondContact O-CB 3.1Å; L120-C123 PolarHBondContact O-N 3.44Å; N121-C123 VanDerWaalsContact C-N 3.28Å; N121-C123 PolarHBondContact O-N 3.08Å; C123-K125 VanDerWaalsContact C-N 3.28Å; C123-K125 PolarHBondContact O-N 3.37Å; C123-I126 HydrophobicContact CB-CG1 3.58Å; C123-I126 WeakPolarHBondContact O-CB 3.29Å; C123-I126 WeakPolarHBondContact O-CG1 3.33Å; C123-I126 PolarHBondContact O-N 2.83Å; C123-C149 PolarHBondContact O-SG 3.41Å
124	T	93	Very high	97.2	Very high	62 Å²	62	30.3 Å²	30.3	38%	0.38	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.2	-169.8	54.9	0	0	0	0	115.1	L98 G122 I126	L98-T124 HydrophobicContact CD2-CG2 4.44Å; G122-T124 VanDerWaalsContact C-N 3.29Å; G122-T124 PolarHBondContact O-N 3.36Å; T124-I126 VanDerWaalsContact C-N 3.3Å
125	K	95.4	Very high	97.3	Very high	119 Å²	119	28.7 Å²	28.7	52%	0.517	16%	0.161	S	C	.	.	B	Isolated β-bridge	trans	-86.6	3.5	175.5	-64.9	-178.6	-175.3	172.7	0	113.9	L98 C123	L98-K125 WeakPolarHBondContact O-CD 3.45Å; L98-K125 WeakPolarHBondContact O-CG 3.41Å; C123-K125 VanDerWaalsContact C-N 3.28Å; C123-K125 PolarHBondContact O-N 3.37Å
126	I	96.4	Very high	97.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.			trans	-83	132.6	177.4	-64.5	-62.3	0	0	0	110.2	V100 M105 C123 T124 T130	V100-I126 HydrophobicContact CG1-CD1 4.38Å; M105-I126 HydrophobicContact CB-CD1 4.33Å; M105-I126 HydrophobicContact CG-CD1 3.51Å; C123-I126 HydrophobicContact CB-CG1 3.58Å; C123-I126 WeakPolarHBondContact O-CB 3.29Å; C123-I126 WeakPolarHBondContact O-CG1 3.33Å; C123-I126 PolarHBondContact O-N 2.83Å; T124-I126 VanDerWaalsContact C-N 3.3Å; I126-T130 HydrophobicContact CD1-CG2 4.31Å; I126-T130 WeakPolarHBondContact CD1-OG1 3.31Å; I126-T130 HydrophobicContact CG2-CG2 3.96Å
127	T	98.3	Very high	97.3	Very high	47 Å²	47	36.6 Å²	36.6	29%	0.288	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-125	-175.6	177.5	78.2	0	0	0	0	111.3	D102 S129 T130	D102-T127 PolarHBondContact OD1-N 2.97Å; D102-T127 PolarHBondContact OD1-OG1 2.85Å; D102-T127 WeakPolarHBondContact OD2-CB 3.49Å; D102-T127 WeakPolarHBondContact OD2-CG2 3.42Å; D102-T127 PolarHBondContact OD2-OG1 3.31Å; T127-S129 PolarHBondContact O-N 3.31Å; T127-S129 PolarHBondContact OG1-N 3.08Å; T127-T130 PolarHBondContact O-N 3.02Å
128	D	98.6	Very high	97.3	Very high	35 Å²	35	35.1 Å²	35.1	19%	0.187	19%	0.185	C	C	.	.	H	α-helix	trans	-52.8	-25.4	173.4	-60.1	-36.5	0	0	0	114	T130 C131 L132 T153 H155 S156	D128-T130 VanDerWaalsContact C-N 3.3Å; D128-T130 PolarHBondContact O-N 3.29Å; D128-C131 PolarHBondContact O-N 3.26Å; D128-L132 WeakPolarHBondContact O-CB 3.48Å; D128-L132 PolarHBondContact O-N 3.14Å; D128-T153 PolarHBondContact OD1-N 3.36Å; D128-T153 PolarHBondContact OD1-OG1 3.04Å; D128-T153 PolarHBondContact OD2-OG1 2.91Å; D128-H155 HydrophobicContact CB-CB 4.21Å; D128-S156 VanDerWaalsContact CA-OG 3.3Å; D128-S156 WeakPolarHBondContact CA-OG 3.44Å; D128-S156 WeakPolarHBondContact OD1-CB 3.34Å; D128-S156 PolarHBondContact OD1-N 2.59Å; D128-S156 VanDerWaalsContact OD1-N 3.17Å; D128-S156 PolarHBondContact OD1-OG 3.04Å
129	S	98.7	Very high	97.3	Very high	54 Å²	54	38.4 Å²	38.4	38%	0.378	21%	0.208	S	C	.	.	H	α-helix	trans	-61.8	-35.7	177.2	-170.7	0	0	0	0	113	T127 S133	T127-S129 PolarHBondContact O-N 3.31Å; T127-S129 PolarHBondContact OG1-N 3.08Å; S129-S133 PolarHBondContact O-N 3.05Å; S129-S133 PolarHBondContact O-OG 3.21Å
130	T	98.6	Very high	97.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.5	-48.2	173.5	-72	0	0	0	0	110.8	D102 M105 L120 I126 T127 D128 L132 S133 L134	D102-T130 WeakPolarHBondContact CA-OG1 3.46Å; D102-T130 WeakPolarHBondContact OD1-CB 3.42Å; D102-T130 PolarHBondContact OD1-N 2.82Å; D102-T130 PolarHBondContact OD1-OG1 3.36Å; M105-T130 HydrophobicContact CB-CG2 3.76Å; M105-T130 HydrophobicContact CG-CG2 4.14Å; L120-T130 HydrophobicContact CD1-CG2 4.14Å; I126-T130 HydrophobicContact CD1-CG2 4.31Å; I126-T130 WeakPolarHBondContact CD1-OG1 3.31Å; I126-T130 HydrophobicContact CG2-CG2 3.96Å; T127-T130 PolarHBondContact O-N 3.02Å; D128-T130 VanDerWaalsContact C-N 3.3Å; D128-T130 PolarHBondContact O-N 3.29Å; T130-L132 VanDerWaalsContact C-N 3.29Å; T130-L132 PolarHBondContact O-N 3.06Å; T130-S133 CarbonylContact O-C 3.51Å; T130-S133 WeakPolarHBondContact O-CA 3.38Å; T130-S133 WeakPolarHBondContact O-CB 3.34Å; T130-S133 PolarHBondContact O-N 3Å; T130-L134 HydrophobicContact CG2-CD1 4.1Å; T130-L134 HydrophobicContact CG2-CG 4.3Å; T130-L134 WeakPolarHBondContact O-CG 3.4Å; T130-L134 PolarHBondContact O-N 2.83Å
131	C	98.6	Very high	97.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-36.4	178.5	-67.8	0	0	0	0	112.2	D128 S133 L134 S135 S156 L160	D128-C131 PolarHBondContact O-N 3.26Å; C131-S133 VanDerWaalsContact C-N 3.34Å; C131-L134 PolarHBondContact O-N 3.02Å; C131-S135 VanDerWaalsContact O-CB 3.27Å; C131-S135 WeakPolarHBondContact O-CB 3.22Å; C131-S135 PolarHBondContact O-N 2.86Å; C131-S156 WeakPolarHBondContact CB-OG 3.3Å; C131-S156 VanDerWaalsContact SG-CB 3.55Å; C131-S156 PolarHBondContact SG-OG 3.14Å; C131-L160 HydrophobicContact CB-CD2 4.39Å; C131-L160 HydrophobicContact CB-CG 4.22Å
132	L	98.8	Very high	97.5	Very high	107 Å²	107	42.8 Å²	42.8	56%	0.56	22%	0.224	S	C	*	.	H	α-helix	trans	-62.4	-40.9	171.4	-177.4	64.2	0	0	0	112	D128 T130 K136 A159	D128-L132 WeakPolarHBondContact O-CB 3.48Å; D128-L132 PolarHBondContact O-N 3.14Å; T130-L132 VanDerWaalsContact C-N 3.29Å; T130-L132 PolarHBondContact O-N 3.06Å; L132-K136 PolarHBondContact O-N 3.09Å; L132-K136 VanDerWaalsContact O-N 3.12Å; L132-A159 HydrophobicContact CD1-CB 4.46Å
133	S	98.8	Very high	97.8	Very high	11 Å²	11	45.7 Å²	45.7	8%	0.077	24%	0.235	C	C	.	.	H	α-helix	trans	-67.3	-43.8	176.4	-60.3	0	0	0	0	111.6	S129 T130 C131 K136 F137	S129-S133 PolarHBondContact O-N 3.05Å; S129-S133 PolarHBondContact O-OG 3.21Å; T130-S133 CarbonylContact O-C 3.51Å; T130-S133 WeakPolarHBondContact O-CA 3.38Å; T130-S133 WeakPolarHBondContact O-CB 3.34Å; T130-S133 PolarHBondContact O-N 3Å; C131-S133 VanDerWaalsContact C-N 3.34Å; S133-K136 PolarHBondContact O-N 2.74Å; S133-F137 WeakPolarHBondContact O-CD2 3.4Å; S133-F137 PolarHBondContact O-N 2.92Å; S133-F137 VanDerWaalsContact O-N 3.17Å
134	L	98.6	Very high	98	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-46.5	175.2	-66.7	176	0	0	0	111.2	A109 L118 T130 C131 K136 F137 C138 L144 L160	A109-L134 HydrophobicContact CB-CD2 4.19Å; L118-L134 HydrophobicContact CD2-CD1 3.86Å; L118-L134 HydrophobicContact CD2-CD2 3.75Å; L118-L134 HydrophobicContact CD2-CG 4.47Å; T130-L134 HydrophobicContact CG2-CD1 4.1Å; T130-L134 HydrophobicContact CG2-CG 4.3Å; T130-L134 WeakPolarHBondContact O-CG 3.4Å; T130-L134 PolarHBondContact O-N 2.83Å; C131-L134 PolarHBondContact O-N 3.02Å; L134-K136 VanDerWaalsContact C-N 3.25Å; L134-K136 PolarHBondContact O-N 2.91Å; L134-F137 PolarHBondContact O-N 2.8Å; L134-C138 HydrophobicContact CD2-CB 4.31Å; L134-C138 WeakPolarHBondContact O-CA 3.41Å; L134-C138 VanDerWaalsContact O-CB 3.3Å; L134-C138 WeakPolarHBondContact O-CB 3.04Å; L134-C138 PolarHBondContact O-N 3.29Å; L134-L144 HydrophobicContact CD1-CD1 4.27Å; L134-L144 HydrophobicContact CD1-CD2 4.33Å; L134-L160 HydrophobicContact CB-CD2 4.5Å
135	S	98.4	Very high	98.3	Very high	19 Å²	19	43.6 Å²	43.6	13%	0.133	22%	0.221	C	C	.	.	H	α-helix	trans	-53	-43.2	174.7	177.3	0	0	0	0	112.5	C131 A159 G163	C131-S135 VanDerWaalsContact O-CB 3.27Å; C131-S135 WeakPolarHBondContact O-CB 3.22Å; C131-S135 PolarHBondContact O-N 2.86Å; S135-A159 WeakPolarHBondContact CB-O 3.38Å; S135-A159 PolarHBondContact OG-O 2.84Å; S135-G163 WeakPolarHBondContact O-CA 3.36Å; S135-G163 WeakPolarHBondContact OG-CA 3.38Å; S135-G163 PolarHBondContact OG-N 3.27Å
136	K	98.6	Very high	98.4	Very high	161 Å²	161	38 Å²	38	70%	0.7	20%	0.197	S	C	*	.	H	α-helix	trans	-73	-33.2	-176.8	-172.8	168.5	-180	169.9	0	114.1	L132 S133 L134	L132-K136 PolarHBondContact O-N 3.09Å; L132-K136 VanDerWaalsContact O-N 3.12Å; S133-K136 PolarHBondContact O-N 2.74Å; L134-K136 VanDerWaalsContact C-N 3.25Å; L134-K136 PolarHBondContact O-N 2.91Å
137	F	98.4	Very high	98.5	Very high	43 Å²	43	38.6 Å²	38.6	19%	0.189	20%	0.201	C	C	.	.	H	α-helix	trans	-121	-19.9	-167	-56.6	-65.8	0	0	0	115	A109 Q110 R113 S133 L134	A109-F137 HydrophobicContact CB-CB 4.25Å; A109-F137 HydrophobicContact CB-CD2 4.09Å; A109-F137 WeakPolarHBondContact O-CB 3.3Å; Q110-F137 HydrophobicContact CG-CD1 4.39Å; Q110-F137 HydrophobicContact CG-CD2 3.76Å; Q110-F137 HydrophobicContact CG-CE1 4.1Å; Q110-F137 HydrophobicContact CG-CE2 3.45Å; Q110-F137 VanDerWaalsContact CG-CE2 3.45Å; Q110-F137 HydrophobicContact CG-CG 4.25Å; Q110-F137 HydrophobicContact CG-CZ 3.63Å; R113-F137 WeakPolarHBondContact CA-O 3.35Å; R113-F137 WeakPolarHBondContact CB-O 3.28Å; S133-F137 WeakPolarHBondContact O-CD2 3.4Å; S133-F137 PolarHBondContact O-N 2.92Å; S133-F137 VanDerWaalsContact O-N 3.17Å; L134-F137 PolarHBondContact O-N 2.8Å
138	C	98.1	Very high	98.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.			trans	-117	53.2	-168.1	-57.3	0	0	0	0	112.4	I115 L134 K140 L141	I115-C138 HydrophobicContact CG2-CB 3.66Å; L134-C138 HydrophobicContact CD2-CB 4.31Å; L134-C138 WeakPolarHBondContact O-CA 3.41Å; L134-C138 VanDerWaalsContact O-CB 3.3Å; L134-C138 WeakPolarHBondContact O-CB 3.04Å; L134-C138 PolarHBondContact O-N 3.29Å; C138-K140 PolarHBondContact O-N 3.12Å; C138-K140 VanDerWaalsContact O-N 3.09Å; C138-L141 VanDerWaalsContact O-CB 3.3Å; C138-L141 WeakPolarHBondContact O-CB 3.28Å; C138-L141 PolarHBondContact O-N 3.01Å; C138-L141 VanDerWaalsContact O-N 3.12Å
139	S	97.8	Very high	98.4	Very high	70 Å²	70	36.6 Å²	36.6	49%	0.49	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-11.4	-175.4	58.7	0	0	0	0	115.5	L141 G163	S139-L141 VanDerWaalsContact C-N 3.35Å; S139-G163 WeakPolarHBondContact CA-O 3.34Å; S139-G163 WeakPolarHBondContact CB-O 3.43Å
140	K	98.4	Very high	98.2	Very high	96 Å²	96	37.5 Å²	37.5	42%	0.417	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	3	176	-64.2	-176.1	-178.4	173.3	0	113.6	N114 I115 C138 K142	N114-K140 PolarHBondContact OD1-NZ 3.09Å; I115-K140 CarbonylContact O-C 3.44Å; C138-K140 PolarHBondContact O-N 3.12Å; C138-K140 VanDerWaalsContact O-N 3.09Å; K140-K142 PolarHBondContact O-N 2.91Å
141	L	98.7	Very high	98.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.			trans	-63.5	124	-178.9	-168.4	68.5	0	0	0	110.2	I115 L118 C138 S139 L144 M166 L167	I115-L141 HydrophobicContact CG2-CD1 4.23Å; I115-L141 PolarHBondContact O-N 3.45Å; L118-L141 HydrophobicContact CB-CD1 3.94Å; C138-L141 VanDerWaalsContact O-CB 3.3Å; C138-L141 WeakPolarHBondContact O-CB 3.28Å; C138-L141 PolarHBondContact O-N 3.01Å; C138-L141 VanDerWaalsContact O-N 3.12Å; S139-L141 VanDerWaalsContact C-N 3.35Å; L141-L144 HydrophobicContact CD2-CB 4.03Å; L141-L144 HydrophobicContact CD2-CD1 4.35Å; L141-L144 HydrophobicContact CD2-CD2 4.08Å; L141-L144 HydrophobicContact CD2-CG 4.37Å; L141-M166 CarbonylContact O-C 3.57Å; L141-L167 HydrophobicContact CD2-CD1 4.32Å; L141-L167 HydrophobicContact CG-CD1 4.14Å; L141-L167 PolarHBondContact O-N 2.94Å
142	K	98.8	Very high	98.1	Very high	62 Å²	62	39.9 Å²	39.9	27%	0.27	21%	0.211	S	C	.	.			trans	-110.1	-33.9	179.9	-63.5	-175.8	178.9	179.4	0	112.4	E116 K140 E168 M169	E116-K142 WeakPolarHBondContact O-CA 3.41Å; E116-K142 PolarHBondContact O-N 2.59Å; E116-K142 IonicContact OE2-NZ 3.79Å; K140-K142 PolarHBondContact O-N 2.91Å; K142-E168 PolarHBondContact O-N 3.23Å; K142-M169 PolarHBondContact O-N 3.19Å
143	Q	98.9	Very high	98.1	Very high	74 Å²	74	35.9 Å²	35.9	35%	0.346	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.7	-178	-52.8	-171.4	2	0	0	110	E116 V117 L118 M169	E116-Q143 PolarHBondContact O-N 2.95Å; V117-Q143 WeakPolarHBondContact CA-O 3.47Å; V117-Q143 HydrophobicContact CB-CB 4.33Å; V117-Q143 HydrophobicContact CG1-CB 4.06Å; V117-Q143 HydrophobicContact CG2-CB 4.07Å; V117-Q143 HydrophobicContact CG2-CG 4.14Å; L118-Q143 PolarHBondContact N-O 2.8Å; Q143-M169 WeakPolarHBondContact CA-O 3.38Å; Q143-M169 HydrophobicContact CB-CB 4.27Å; Q143-M169 HydrophobicContact CB-CE 4.04Å; Q143-M169 HydrophobicContact CB-SD 4.38Å; Q143-M169 HydrophobicContact CG-CB 4Å; Q143-M169 HydrophobicContact CG-CE 4.4Å
144	L	98.9	Very high	98.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	123.9	177.8	-179.6	59.7	0	0	0	109.9	L118 L134 L141 L146 L160 L167 M169 L170 N171	L118-L144 HydrophobicContact CB-CD1 4.03Å; L118-L144 HydrophobicContact CD2-CD1 4.06Å; L118-L144 HydrophobicContact CG-CD1 4.16Å; L118-L144 WeakPolarHBondContact O-CA 3.35Å; L134-L144 HydrophobicContact CD1-CD1 4.27Å; L134-L144 HydrophobicContact CD1-CD2 4.33Å; L141-L144 HydrophobicContact CD2-CB 4.03Å; L141-L144 HydrophobicContact CD2-CD1 4.35Å; L141-L144 HydrophobicContact CD2-CD2 4.08Å; L141-L144 HydrophobicContact CD2-CG 4.37Å; L144-L146 HydrophobicContact CD1-CD2 4.27Å; L144-L146 HydrophobicContact CD1-CG 4.3Å; L144-L146 HydrophobicContact CD2-CD1 3.89Å; L144-L146 HydrophobicContact CD2-CG 4.1Å; L144-L146 HydrophobicContact CG-CD1 4.26Å; L144-L146 HydrophobicContact CG-CD2 4.42Å; L144-L146 HydrophobicContact CG-CG 3.94Å; L144-L160 HydrophobicContact CD2-CD1 3.71Å; L144-L160 HydrophobicContact CD2-CD2 3.84Å; L144-L160 HydrophobicContact CD2-CG 4.45Å; L144-L167 HydrophobicContact CB-CD1 4.01Å; L144-M169 PolarHBondContact N-O 3.19Å; L144-L170 HydrophobicContact CB-CD1 3.89Å; L144-L170 HydrophobicContact CD2-CD1 4Å; L144-L170 HydrophobicContact CG-CD1 4.01Å; L144-L170 WeakPolarHBondContact O-CA 3.36Å; L144-N171 PolarHBondContact O-N 3.17Å
145	D	98.8	Very high	98.1	Very high	18 Å²	18	43.7 Å²	43.7	10%	0.096	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	114.3	172.9	-174.1	-3.8	0	0	0	109.6	L118 N119 L120 T147 N171	L118-D145 PolarHBondContact O-N 3.27Å; N119-D145 HydrophobicContact CB-CB 4.24Å; N119-D145 PolarHBondContact ND2-OD2 3.24Å; L120-D145 CarbonylContact C-O 3.4Å; L120-D145 WeakPolarHBondContact CA-O 3.45Å; L120-D145 PolarHBondContact N-O 3.17Å; D145-T147 WeakPolarHBondContact OD1-CB 3.15Å; D145-T147 PolarHBondContact OD1-N 3.27Å; D145-T147 PolarHBondContact OD1-OG1 3.12Å; D145-N171 HydrophobicContact CB-CB 4.35Å
146	L	98.4	Very high	98.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.221	C	C	.	.			trans	-114.8	21.7	176.6	-66.5	171.9	0	0	0	111.2	L120 L144 S148 C149 V152 L160 L170 N171 L172 C175	L120-L146 HydrophobicContact CB-CD2 4.27Å; L120-L146 HydrophobicContact CD1-CD2 3.94Å; L144-L146 HydrophobicContact CD1-CD2 4.27Å; L144-L146 HydrophobicContact CD1-CG 4.3Å; L144-L146 HydrophobicContact CD2-CD1 3.89Å; L144-L146 HydrophobicContact CD2-CG 4.1Å; L144-L146 HydrophobicContact CG-CD1 4.26Å; L144-L146 HydrophobicContact CG-CD2 4.42Å; L144-L146 HydrophobicContact CG-CG 3.94Å; L146-S148 PolarHBondContact O-N 2.77Å; L146-C149 HydrophobicContact CB-CB 4.26Å; L146-C149 VanDerWaalsContact O-CB 3.28Å; L146-C149 WeakPolarHBondContact O-CB 3.44Å; L146-C149 PolarHBondContact O-N 3.39Å; L146-V152 HydrophobicContact CD1-CG1 4.38Å; L146-L160 HydrophobicContact CD1-CD1 4.47Å; L146-L170 HydrophobicContact CD1-CD1 4.41Å; L146-N171 CarbonylContact C-O 3.25Å; L146-N171 WeakPolarHBondContact CA-O 3.16Å; L146-N171 PolarHBondContact N-O 3.17Å; L146-L172 HydrophobicContact CB-CD2 4.28Å; L146-L172 HydrophobicContact CD1-CD2 3.98Å; L146-C175 PolarHBondContact O-SG 2.89Å
147	T	98.4	Very high	98.1	Very high	14 Å²	14	35.1 Å²	35.1	9%	0.086	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	130.3	179.8	-60.4	0	0	0	0	110.6	N121 G122 D145 C149 N171 S173	N121-T147 CarbonylContact C-O 3.44Å; N121-T147 WeakPolarHBondContact CA-O 3.46Å; N121-T147 WeakPolarHBondContact ND2-CB 3.42Å; G122-T147 PolarHBondContact N-O 2.82Å; D145-T147 WeakPolarHBondContact OD1-CB 3.15Å; D145-T147 PolarHBondContact OD1-N 3.27Å; D145-T147 PolarHBondContact OD1-OG1 3.12Å; T147-C149 PolarHBondContact O-N 3.25Å; T147-C149 VanDerWaalsContact O-N 3.15Å; T147-N171 PolarHBondContact OG1-ND2 2.85Å; T147-N171 PolarHBondContact OG1-OD1 3.06Å; T147-S173 CarbonylContact C-O 3.53Å; T147-S173 VanDerWaalsContact CA-O 3.3Å; T147-S173 WeakPolarHBondContact CA-O 3.44Å
148	S	96.9	Very high	98.1	Very high	39 Å²	39	37.7 Å²	37.7	27%	0.273	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	20.2	179.7	-53.3	0	0	0	0	115.2	L146 V150 S173	L146-S148 PolarHBondContact O-N 2.77Å; S148-V150 PolarHBondContact O-N 2.94Å; S148-V150 VanDerWaalsContact O-N 3.07Å; S148-S173 PolarHBondContact N-O 2.9Å
149	C	96.4	Very high	98.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.			trans	-80.7	71.1	165	-67.7	0	0	0	0	110	L120 C123 L146 T147 S151 V152	L120-C149 PolarHBondContact O-SG 3.09Å; C123-C149 PolarHBondContact O-SG 3.41Å; L146-C149 HydrophobicContact CB-CB 4.26Å; L146-C149 VanDerWaalsContact O-CB 3.28Å; L146-C149 WeakPolarHBondContact O-CB 3.44Å; L146-C149 PolarHBondContact O-N 3.39Å; T147-C149 PolarHBondContact O-N 3.25Å; T147-C149 VanDerWaalsContact O-N 3.15Å; C149-S151 PolarHBondContact O-N 3.18Å; C149-V152 HydrophobicContact CB-CG2 3.87Å; C149-V152 WeakPolarHBondContact O-CB 3.17Å; C149-V152 PolarHBondContact O-N 2.84Å
150	V	95.1	Very high	98.2	Very high	74 Å²	74	34.9 Å²	34.9	45%	0.448	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-16.6	-168.1	-62	0	0	0	0	116	S148 Q177	S148-V150 PolarHBondContact O-N 2.94Å; S148-V150 VanDerWaalsContact O-N 3.07Å; V150-Q177 PolarHBondContact O-NE2 2.65Å
151	S	96.9	Very high	98.2	Very high	49 Å²	49	30.6 Å²	30.6	34%	0.343	16%	0.162	S	C	.	.	B	Isolated β-bridge	trans	-92.5	4.6	177.8	-58.8	0	0	0	0	114	C149	C149-S151 PolarHBondContact O-N 3.18Å
152	V	97.5	Very high	98.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.182	C	C	.	.			trans	-80.5	130.3	172.4	164.3	0	0	0	0	110	L146 C149 S156 I178	L146-V152 HydrophobicContact CD1-CG1 4.38Å; C149-V152 HydrophobicContact CB-CG2 3.87Å; C149-V152 WeakPolarHBondContact O-CB 3.17Å; C149-V152 PolarHBondContact O-N 2.84Å; V152-S156 VanDerWaalsContact CG1-CB 3.49Å; V152-S156 WeakPolarHBondContact CG1-OG 3.46Å; V152-I178 HydrophobicContact CG1-CD1 4.21Å
153	T	98.6	Very high	98.1	Very high	24 Å²	24	32.2 Å²	32.2	15%	0.147	18%	0.178	C	C	.	.			trans	-119.6	-177.2	-179.3	81.5	0	0	0	0	112	D128 H155 S156 Q177 I178	D128-T153 PolarHBondContact OD1-N 3.36Å; D128-T153 PolarHBondContact OD1-OG1 3.04Å; D128-T153 PolarHBondContact OD2-OG1 2.91Å; T153-H155 PolarHBondContact O-N 3.01Å; T153-H155 VanDerWaalsContact O-N 3.07Å; T153-H155 PolarHBondContact OG1-N 3.5Å; T153-H155 PolarHBondContact OG1-ND1 3.25Å; T153-S156 WeakPolarHBondContact O-CB 3.45Å; T153-S156 PolarHBondContact O-N 3.4Å; T153-Q177 HydrophobicContact CG2-CB 4.41Å; T153-I178 WeakPolarHBondContact O-CD1 3.45Å
154	N	98.6	Very high	98.1	Very high	37 Å²	37	28.7 Å²	28.7	20%	0.198	16%	0.161	C	C	.	.	H	α-helix	trans	-53.3	-26.8	172.7	-65.6	-22.3	0	0	0	113.4	S156 L157 K158 T179 G182	N154-S156 VanDerWaalsContact C-N 3.33Å; N154-S156 PolarHBondContact O-N 3.38Å; N154-L157 PolarHBondContact O-N 2.94Å; N154-K158 PolarHBondContact O-N 3.49Å; N154-T179 PolarHBondContact ND2-OG1 3.21Å; N154-T179 PolarHBondContact OD1-N 3.22Å; N154-G182 WeakPolarHBondContact OD1-CA 3.39Å; N154-G182 PolarHBondContact OD1-N 2.94Å
155	H	98.7	Very high	98	Very high	138 Å²	138	36.6 Å²	36.6	64%	0.639	19%	0.191	S	C	*	.	H	α-helix	trans	-64.8	-36.6	176.8	-61.8	88.9	0	0	0	112.3	D128 T153 L157 K158 A159	D128-H155 HydrophobicContact CB-CB 4.21Å; T153-H155 PolarHBondContact O-N 3.01Å; T153-H155 VanDerWaalsContact O-N 3.07Å; T153-H155 PolarHBondContact OG1-N 3.5Å; T153-H155 PolarHBondContact OG1-ND1 3.25Å; H155-L157 VanDerWaalsContact C-N 3.34Å; H155-K158 PolarHBondContact O-N 2.95Å; H155-A159 WeakPolarHBondContact O-CB 3.41Å; H155-A159 PolarHBondContact O-N 3.08Å
156	S	98.7	Very high	98	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.9	-48.2	171.1	-77.3	0	0	0	0	111.5	D128 C131 V152 T153 N154 K158 A159 L160	D128-S156 VanDerWaalsContact CA-OG 3.3Å; D128-S156 WeakPolarHBondContact CA-OG 3.44Å; D128-S156 WeakPolarHBondContact OD1-CB 3.34Å; D128-S156 PolarHBondContact OD1-N 2.59Å; D128-S156 VanDerWaalsContact OD1-N 3.17Å; D128-S156 PolarHBondContact OD1-OG 3.04Å; C131-S156 WeakPolarHBondContact CB-OG 3.3Å; C131-S156 VanDerWaalsContact SG-CB 3.55Å; C131-S156 PolarHBondContact SG-OG 3.14Å; V152-S156 VanDerWaalsContact CG1-CB 3.49Å; V152-S156 WeakPolarHBondContact CG1-OG 3.46Å; T153-S156 WeakPolarHBondContact O-CB 3.45Å; T153-S156 PolarHBondContact O-N 3.4Å; N154-S156 VanDerWaalsContact C-N 3.33Å; N154-S156 PolarHBondContact O-N 3.38Å; S156-K158 VanDerWaalsContact C-N 3.32Å; S156-K158 PolarHBondContact O-N 2.59Å; S156-A159 PolarHBondContact O-N 3.03Å; S156-L160 VanDerWaalsContact O-CG 3.29Å; S156-L160 WeakPolarHBondContact O-CG 3.48Å; S156-L160 PolarHBondContact O-N 3.31Å
157	L	98.8	Very high	98	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.1	-39.1	-178	-62.3	-166.6	0	0	0	111.7	N154 H155 L160 S161 L170 L172 I178 G182 I183 L186	N154-L157 PolarHBondContact O-N 2.94Å; H155-L157 VanDerWaalsContact C-N 3.34Å; L157-L160 HydrophobicContact CD2-CD1 4.38Å; L157-L160 PolarHBondContact O-N 3.3Å; L157-S161 WeakPolarHBondContact O-CB 3.49Å; L157-S161 PolarHBondContact O-N 2.81Å; L157-L170 HydrophobicContact CD2-CD2 3.93Å; L157-L172 HydrophobicContact CD1-CD1 3.9Å; L157-L172 HydrophobicContact CD2-CD1 3.7Å; L157-L172 HydrophobicContact CD2-CD2 3.88Å; L157-L172 HydrophobicContact CD2-CG 4.4Å; L157-L172 HydrophobicContact CG-CD1 4.43Å; L157-I178 HydrophobicContact CD1-CD1 3.93Å; L157-I178 HydrophobicContact CD1-CG1 4.4Å; L157-I178 HydrophobicContact CD1-CG2 3.6Å; L157-I178 HydrophobicContact CG-CD1 4Å; L157-G182 WeakPolarHBondContact CB-O 3.45Å; L157-G182 VanDerWaalsContact CD1-C 3.42Å; L157-G182 WeakPolarHBondContact CD1-O 3.36Å; L157-I183 HydrophobicContact CD1-CD1 4.2Å; L157-L186 HydrophobicContact CB-CB 4.25Å
158	K	98.8	Very high	98	Very high	96 Å²	96	42.8 Å²	42.8	42%	0.417	22%	0.22	S	C	.	.	H	α-helix	trans	-60.5	-48.6	171	-176.4	65.6	178.3	81.1	0	111.6	N154 H155 S156 L160 S161 D162 A185	N154-K158 PolarHBondContact O-N 3.49Å; H155-K158 PolarHBondContact O-N 2.95Å; S156-K158 VanDerWaalsContact C-N 3.32Å; S156-K158 PolarHBondContact O-N 2.59Å; K158-L160 PolarHBondContact O-N 3.48Å; K158-S161 WeakPolarHBondContact O-CB 3.37Å; K158-S161 PolarHBondContact O-N 2.86Å; K158-S161 PolarHBondContact O-OG 3.49Å; K158-D162 IonicContact NZ-OD1 2.61Å; K158-D162 PolarHBondContact NZ-OD1 3.01Å; K158-D162 IonicContact NZ-OD2 3.9Å; K158-D162 PolarHBondContact NZ-OD2 3.19Å; K158-D162 PolarHBondContact O-N 2.84Å; K158-A185 HydrophobicContact CB-CB 4.17Å; K158-A185 HydrophobicContact CD-CB 3.83Å
159	A	98.8	Very high	98.1	Very high	11 Å²	11	43 Å²	43	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-59.1	-47.7	178.4	0	0	0	0	0	111.8	L132 S135 H155 S156 S161 D162 G163	L132-A159 HydrophobicContact CD1-CB 4.46Å; S135-A159 WeakPolarHBondContact CB-O 3.38Å; S135-A159 PolarHBondContact OG-O 2.84Å; H155-A159 WeakPolarHBondContact O-CB 3.41Å; H155-A159 PolarHBondContact O-N 3.08Å; S156-A159 PolarHBondContact O-N 3.03Å; A159-S161 VanDerWaalsContact C-N 3.32Å; A159-S161 PolarHBondContact O-N 2.58Å; A159-D162 PolarHBondContact O-N 2.92Å; A159-D162 VanDerWaalsContact O-N 3.14Å; A159-G163 PolarHBondContact O-N 2.8Å
160	L	98.7	Very high	98.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.9	-42	177.5	-68.2	173	0	0	0	111.4	C131 L134 L144 L146 S156 L157 K158 D162 G163 C164 L170	C131-L160 HydrophobicContact CB-CD2 4.39Å; C131-L160 HydrophobicContact CB-CG 4.22Å; L134-L160 HydrophobicContact CB-CD2 4.5Å; L144-L160 HydrophobicContact CD2-CD1 3.71Å; L144-L160 HydrophobicContact CD2-CD2 3.84Å; L144-L160 HydrophobicContact CD2-CG 4.45Å; L146-L160 HydrophobicContact CD1-CD1 4.47Å; S156-L160 VanDerWaalsContact O-CG 3.29Å; S156-L160 WeakPolarHBondContact O-CG 3.48Å; S156-L160 PolarHBondContact O-N 3.31Å; L157-L160 HydrophobicContact CD2-CD1 4.38Å; L157-L160 PolarHBondContact O-N 3.3Å; K158-L160 PolarHBondContact O-N 3.48Å; L160-D162 PolarHBondContact O-N 3.45Å; L160-G163 PolarHBondContact O-N 3.08Å; L160-C164 HydrophobicContact CD2-CB 4.35Å; L160-C164 WeakPolarHBondContact O-CA 3.47Å; L160-C164 WeakPolarHBondContact O-CB 3.37Å; L160-C164 PolarHBondContact O-N 2.81Å; L160-L170 HydrophobicContact CD1-CD1 4.45Å
161	S	98.3	Very high	98.4	Very high	6 Å²	6	40.6 Å²	40.6	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-58.2	-34	176.3	80.2	0	0	0	0	113.3	L157 K158 A159 A185	L157-S161 WeakPolarHBondContact O-CB 3.49Å; L157-S161 PolarHBondContact O-N 2.81Å; K158-S161 WeakPolarHBondContact O-CB 3.37Å; K158-S161 PolarHBondContact O-N 2.86Å; K158-S161 PolarHBondContact O-OG 3.49Å; A159-S161 VanDerWaalsContact C-N 3.32Å; A159-S161 PolarHBondContact O-N 2.58Å; S161-A185 WeakPolarHBondContact CB-O 3.45Å; S161-A185 PolarHBondContact OG-O 2.99Å
162	D	98.2	Very high	98.5	Very high	79 Å²	79	38.3 Å²	38.3	42%	0.422	19%	0.185	S	C	.	.	H	α-helix	trans	-78.1	-37.9	-176.7	-71	-28.9	0	0	0	112.8	K158 A159 L160 R165	K158-D162 IonicContact NZ-OD1 2.61Å; K158-D162 PolarHBondContact NZ-OD1 3.01Å; K158-D162 IonicContact NZ-OD2 3.9Å; K158-D162 PolarHBondContact NZ-OD2 3.19Å; K158-D162 PolarHBondContact O-N 2.84Å; A159-D162 PolarHBondContact O-N 2.92Å; A159-D162 VanDerWaalsContact O-N 3.14Å; L160-D162 PolarHBondContact O-N 3.45Å; D162-R165 PolarHBondContact O-NE 3.1Å
163	G	97.9	Very high	98.6	Very high	18 Å²	18	38.8 Å²	38.8	19%	0.186	19%	0.189	C	C	.	.	H	α-helix	trans	-115.3	-25.2	-169.4	0	0	0	0	0	116.2	S135 S139 A159 L160	S135-G163 WeakPolarHBondContact O-CA 3.36Å; S135-G163 WeakPolarHBondContact OG-CA 3.38Å; S135-G163 PolarHBondContact OG-N 3.27Å; S139-G163 WeakPolarHBondContact CA-O 3.34Å; S139-G163 WeakPolarHBondContact CB-O 3.43Å; A159-G163 PolarHBondContact O-N 2.8Å; L160-G163 PolarHBondContact O-N 3.08Å
164	C	98.3	Very high	98.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.204	C	C	.	.			trans	-108.2	50.5	-175.2	-60.2	0	0	0	0	111.8	L160 M166 L167 C190	L160-C164 HydrophobicContact CD2-CB 4.35Å; L160-C164 WeakPolarHBondContact O-CA 3.47Å; L160-C164 WeakPolarHBondContact O-CB 3.37Å; L160-C164 PolarHBondContact O-N 2.81Å; C164-M166 PolarHBondContact O-N 3.03Å; C164-M166 VanDerWaalsContact O-N 3.1Å; C164-L167 VanDerWaalsContact O-CB 3.28Å; C164-L167 WeakPolarHBondContact O-CB 3.39Å; C164-L167 PolarHBondContact O-N 2.76Å; C164-L167 VanDerWaalsContact O-N 3.1Å; C164-C190 PolarHBondContact O-SG 2.88Å
165	R	97.8	Very high	98.4	Very high	165 Å²	165	41.8 Å²	41.8	62%	0.623	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-10.8	-173.6	-59.4	-174.2	-173.9	157.4	2.5	115.1	D162 L167	D162-R165 PolarHBondContact O-NE 3.1Å; R165-L167 VanDerWaalsContact C-N 3.26Å
166	M	98.3	Very high	98.2	Very high	96 Å²	96	38.5 Å²	38.5	47%	0.473	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	7.2	174.3	-63.2	-168.3	71.2	0	0	113.1	L141 C164 E168	L141-M166 CarbonylContact O-C 3.57Å; C164-M166 PolarHBondContact O-N 3.03Å; C164-M166 VanDerWaalsContact O-N 3.1Å; M166-E168 PolarHBondContact O-N 2.78Å
167	L	98.7	Very high	98.1	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.203	C	C	.	.			trans	-66.3	119.3	-177.7	-159	71.9	0	0	0	110.8	L141 L144 C164 R165 L170 L186 C190	L141-L167 HydrophobicContact CD2-CD1 4.32Å; L141-L167 HydrophobicContact CG-CD1 4.14Å; L141-L167 PolarHBondContact O-N 2.94Å; L144-L167 HydrophobicContact CB-CD1 4.01Å; C164-L167 VanDerWaalsContact O-CB 3.28Å; C164-L167 WeakPolarHBondContact O-CB 3.39Å; C164-L167 PolarHBondContact O-N 2.76Å; C164-L167 VanDerWaalsContact O-N 3.1Å; R165-L167 VanDerWaalsContact C-N 3.26Å; L167-L170 HydrophobicContact CD2-CB 3.88Å; L167-L170 HydrophobicContact CD2-CD1 4.21Å; L167-L170 HydrophobicContact CD2-CD2 4.2Å; L167-L170 HydrophobicContact CD2-CG 4.3Å; L167-L186 HydrophobicContact CD2-CD1 4.39Å; L167-C190 HydrophobicContact CB-CB 4.4Å
168	E	98.8	Very high	98	Very high	66 Å²	66	43 Å²	43	31%	0.308	20%	0.203	S	C	.	.			trans	-104.8	-30.2	179.2	-67.5	172.9	-158.5	0	0	111.2	K142 M166 R194 A195	K142-E168 PolarHBondContact O-N 3.23Å; M166-E168 PolarHBondContact O-N 2.78Å; E168-R194 WeakPolarHBondContact O-CA 3.39Å; E168-R194 PolarHBondContact O-N 3.1Å; E168-A195 PolarHBondContact O-N 3.05Å
169	M	98.9	Very high	98	Very high	44 Å²	44	40 Å²	40	22%	0.217	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.2	177.7	-177.5	-94.5	-91.8	0	0	111.4	K142 Q143 L144 A195 F197	K142-M169 PolarHBondContact O-N 3.19Å; Q143-M169 WeakPolarHBondContact CA-O 3.38Å; Q143-M169 HydrophobicContact CB-CB 4.27Å; Q143-M169 HydrophobicContact CB-CE 4.04Å; Q143-M169 HydrophobicContact CB-SD 4.38Å; Q143-M169 HydrophobicContact CG-CB 4Å; Q143-M169 HydrophobicContact CG-CE 4.4Å; L144-M169 PolarHBondContact N-O 3.19Å; M169-A195 VanDerWaalsContact CA-O 3.3Å; M169-A195 WeakPolarHBondContact CA-O 3.46Å; M169-A195 HydrophobicContact CB-CB 4.07Å; M169-A195 HydrophobicContact CG-CB 3.74Å; M169-F197 HydrophobicContact CG-CD2 4.43Å; M169-F197 HydrophobicContact CG-CE2 3.91Å; M169-F197 HydrophobicContact SD-CE2 4.37Å
170	L	98.9	Very high	97.9	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	129.9	172.4	-177.5	62.6	0	0	0	110.2	L144 L146 L157 L160 L167 L172 L186 L193 A195 L196 F197	L144-L170 HydrophobicContact CB-CD1 3.89Å; L144-L170 HydrophobicContact CD2-CD1 4Å; L144-L170 HydrophobicContact CG-CD1 4.01Å; L144-L170 WeakPolarHBondContact O-CA 3.36Å; L146-L170 HydrophobicContact CD1-CD1 4.41Å; L157-L170 HydrophobicContact CD2-CD2 3.93Å; L160-L170 HydrophobicContact CD1-CD1 4.45Å; L167-L170 HydrophobicContact CD2-CB 3.88Å; L167-L170 HydrophobicContact CD2-CD1 4.21Å; L167-L170 HydrophobicContact CD2-CD2 4.2Å; L167-L170 HydrophobicContact CD2-CG 4.3Å; L170-L172 HydrophobicContact CD1-CD2 4.27Å; L170-L172 HydrophobicContact CD1-CG 4.43Å; L170-L172 HydrophobicContact CD2-CD1 3.76Å; L170-L172 HydrophobicContact CD2-CD2 4.2Å; L170-L172 HydrophobicContact CD2-CG 3.94Å; L170-L172 HydrophobicContact CG-CD1 4.24Å; L170-L172 HydrophobicContact CG-CD2 4.25Å; L170-L172 HydrophobicContact CG-CG 3.91Å; L170-L186 HydrophobicContact CD2-CD1 3.86Å; L170-L186 HydrophobicContact CD2-CD2 3.49Å; L170-L186 VanDerWaalsContact CD2-CD2 3.49Å; L170-L186 HydrophobicContact CD2-CG 4.33Å; L170-L193 HydrophobicContact CB-CD1 4.29Å; L170-A195 PolarHBondContact N-O 3.17Å; L170-L196 HydrophobicContact CB-CD1 4.1Å; L170-L196 HydrophobicContact CD2-CD1 4.39Å; L170-L196 HydrophobicContact CG-CD1 4.42Å; L170-L196 WeakPolarHBondContact O-CA 3.22Å; L170-F197 PolarHBondContact O-N 3.16Å
171	N	98.9	Very high	97.9	Very high	24 Å²	24	49 Å²	49	13%	0.128	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.6	172.1	-171	-8.9	0	0	0	110.4	L144 D145 L146 T147 S173 F197	L144-N171 PolarHBondContact O-N 3.17Å; D145-N171 HydrophobicContact CB-CB 4.35Å; L146-N171 CarbonylContact C-O 3.25Å; L146-N171 WeakPolarHBondContact CA-O 3.16Å; L146-N171 PolarHBondContact N-O 3.17Å; T147-N171 PolarHBondContact OG1-ND2 2.85Å; T147-N171 PolarHBondContact OG1-OD1 3.06Å; N171-S173 VanDerWaalsContact OD1-CB 3.25Å; N171-S173 WeakPolarHBondContact OD1-CB 3.5Å; N171-S173 PolarHBondContact OD1-N 3.04Å; N171-S173 PolarHBondContact OD1-OG 2.63Å; N171-F197 HydrophobicContact CB-CB 4.04Å; N171-F197 HydrophobicContact CB-CD2 4.04Å; N171-F197 HydrophobicContact CB-CG 4.39Å; N171-F197 WeakPolarHBondContact OD1-CB 3.45Å
172	L	98.6	Very high	97.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.23	C	C	.	.			trans	-118.7	20.2	179.1	-62.4	166.8	0	0	0	111.1	L146 L157 L170 W174 C175 F197 L198 C201	L146-L172 HydrophobicContact CB-CD2 4.28Å; L146-L172 HydrophobicContact CD1-CD2 3.98Å; L157-L172 HydrophobicContact CD1-CD1 3.9Å; L157-L172 HydrophobicContact CD2-CD1 3.7Å; L157-L172 HydrophobicContact CD2-CD2 3.88Å; L157-L172 HydrophobicContact CD2-CG 4.4Å; L157-L172 HydrophobicContact CG-CD1 4.43Å; L170-L172 HydrophobicContact CD1-CD2 4.27Å; L170-L172 HydrophobicContact CD1-CG 4.43Å; L170-L172 HydrophobicContact CD2-CD1 3.76Å; L170-L172 HydrophobicContact CD2-CD2 4.2Å; L170-L172 HydrophobicContact CD2-CG 3.94Å; L170-L172 HydrophobicContact CG-CD1 4.24Å; L170-L172 HydrophobicContact CG-CD2 4.25Å; L170-L172 HydrophobicContact CG-CG 3.91Å; L172-W174 PolarHBondContact O-N 3.32Å; L172-C175 HydrophobicContact CB-CB 4.3Å; L172-C175 WeakPolarHBondContact O-CB 3.45Å; L172-C175 PolarHBondContact O-N 2.99Å; L172-F197 PolarHBondContact N-O 3.06Å; L172-L198 HydrophobicContact CB-CD2 4.26Å; L172-L198 HydrophobicContact CD1-CD2 4Å; L172-C201 PolarHBondContact O-SG 3Å
173	S	98.6	Very high	98	Very high	10 Å²	10	45 Å²	45	7%	0.07	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	132.2	-176.9	-59.4	0	0	0	0	110.5	T147 S148 N171 C175 R199	T147-S173 CarbonylContact C-O 3.53Å; T147-S173 VanDerWaalsContact CA-O 3.3Å; T147-S173 WeakPolarHBondContact CA-O 3.44Å; S148-S173 PolarHBondContact N-O 2.9Å; N171-S173 VanDerWaalsContact OD1-CB 3.25Å; N171-S173 WeakPolarHBondContact OD1-CB 3.5Å; N171-S173 PolarHBondContact OD1-N 3.04Å; N171-S173 PolarHBondContact OD1-OG 2.63Å; S173-C175 PolarHBondContact O-N 3.1Å; S173-R199 CarbonylContact C-O 3.59Å; S173-R199 WeakPolarHBondContact CA-O 3.39Å
174	W	97.8	Very high	98	Very high	125 Å²	125	45.7 Å²	45.7	47%	0.473	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	21.5	-176.5	-50.2	97.8	0	0	0	115	L172 D176 R199	L172-W174 PolarHBondContact O-N 3.32Å; W174-D176 PolarHBondContact O-N 3.48Å; W174-R199 PolarHBondContact N-O 3.43Å
175	C	97.1	Very high	98	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.216	C	C	.	.			trans	-91.6	76.9	165.6	-63.4	0	0	0	0	109.3	L146 L172 S173 Q177 I178 C201	L146-C175 PolarHBondContact O-SG 2.89Å; L172-C175 HydrophobicContact CB-CB 4.3Å; L172-C175 WeakPolarHBondContact O-CB 3.45Å; L172-C175 PolarHBondContact O-N 2.99Å; S173-C175 PolarHBondContact O-N 3.1Å; C175-Q177 PolarHBondContact O-N 2.81Å; C175-I178 HydrophobicContact CB-CG1 3.92Å; C175-I178 WeakPolarHBondContact O-CB 3.39Å; C175-I178 WeakPolarHBondContact O-CG1 3.43Å; C175-I178 PolarHBondContact O-N 2.72Å; C175-C201 PolarHBondContact O-SG 3.03Å
176	D	93.3	Very high	98	Very high	68 Å²	68	38.8 Å²	38.8	36%	0.364	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-12	-168.5	-161.9	41.2	0	0	0	113.9	W174 I178 T202 Q203	W174-D176 PolarHBondContact O-N 3.48Å; D176-I178 PolarHBondContact O-N 2.96Å; D176-T202 WeakPolarHBondContact OD1-CB 3.39Å; D176-T202 PolarHBondContact OD1-N 2.85Å; D176-T202 PolarHBondContact OD1-OG1 3.41Å; D176-Q203 WeakPolarHBondContact O-CG 3.48Å; D176-Q203 PolarHBondContact O-NE2 3.01Å
177	Q	96.2	Very high	98	Very high	96 Å²	96	34.2 Å²	34.2	45%	0.449	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-1.5	174.7	-61.2	-170.1	53.9	0	0	113.9	V150 T153 C175	V150-Q177 PolarHBondContact O-NE2 2.65Å; T153-Q177 HydrophobicContact CG2-CB 4.41Å; C175-Q177 PolarHBondContact O-N 2.81Å
178	I	97.8	Very high	98	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.192	C	C	.	.			trans	-82.3	127.7	177.1	-59.5	-54.3	0	0	0	109.7	V152 T153 L157 C175 D176 I183 L204	V152-I178 HydrophobicContact CG1-CD1 4.21Å; T153-I178 WeakPolarHBondContact O-CD1 3.45Å; L157-I178 HydrophobicContact CD1-CD1 3.93Å; L157-I178 HydrophobicContact CD1-CG1 4.4Å; L157-I178 HydrophobicContact CD1-CG2 3.6Å; L157-I178 HydrophobicContact CG-CD1 4Å; C175-I178 HydrophobicContact CB-CG1 3.92Å; C175-I178 WeakPolarHBondContact O-CB 3.39Å; C175-I178 WeakPolarHBondContact O-CG1 3.43Å; C175-I178 PolarHBondContact O-N 2.72Å; D176-I178 PolarHBondContact O-N 2.96Å; I178-I183 HydrophobicContact CG2-CD1 4.04Å; I178-I183 HydrophobicContact CG2-CG1 4.24Å; I178-L204 HydrophobicContact CG2-CD2 4.39Å
179	T	98	Very high	97.9	Very high	32 Å²	32	39.1 Å²	39.1	20%	0.196	19%	0.185	C	C	.	.			trans	-118.2	179.5	176.1	75.9	0	0	0	0	110.6	N154 D181 G182 I183 Q203	N154-T179 PolarHBondContact ND2-OG1 3.21Å; N154-T179 PolarHBondContact OD1-N 3.22Å; T179-D181 PolarHBondContact O-N 3Å; T179-D181 PolarHBondContact OG1-N 2.84Å; T179-G182 PolarHBondContact O-N 3.32Å; T179-G182 VanDerWaalsContact O-N 3.12Å; T179-I183 PolarHBondContact O-N 3.37Å; T179-Q203 HydrophobicContact CG2-CB 4.23Å
180	R	97.8	Very high	97.9	Very high	96 Å²	96	37 Å²	37	36%	0.362	17%	0.174	S	C	.	.	H	α-helix	trans	-46.2	-42.9	172.4	172.9	-174.7	166.9	-177	-10	113.4	G182 I183 E184 A208	R180-G182 VanDerWaalsContact C-N 3.28Å; R180-G182 PolarHBondContact O-N 3.28Å; R180-I183 PolarHBondContact O-N 3.33Å; R180-I183 VanDerWaalsContact O-N 3.17Å; R180-E184 IonicContact NE-OE2 2.65Å; R180-E184 IonicContact NH2-OE2 2.7Å; R180-E184 WeakPolarHBondContact O-CB 3.26Å; R180-E184 PolarHBondContact O-N 2.8Å; R180-A208 HydrophobicContact CB-CB 4.3Å; R180-A208 HydrophobicContact CG-CB 4.47Å
181	D	98.4	Very high	97.8	Very high	105 Å²	105	40.8 Å²	40.8	56%	0.561	20%	0.197	S	C	*	.	H	α-helix	trans	-63.8	-36.2	-175.7	-65.4	-26.8	0	0	0	112.2	T179 E184 A185	T179-D181 PolarHBondContact O-N 3Å; T179-D181 PolarHBondContact OG1-N 2.84Å; D181-E184 PolarHBondContact O-N 3.15Å; D181-A185 WeakPolarHBondContact O-CB 3.3Å; D181-A185 PolarHBondContact O-N 3.19Å
182	G	98.6	Very high	97.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.5	-44.5	174	0	0	0	0	0	111.9	N154 L157 T179 R180 E184 A185 L186	N154-G182 WeakPolarHBondContact OD1-CA 3.39Å; N154-G182 PolarHBondContact OD1-N 2.94Å; L157-G182 WeakPolarHBondContact CB-O 3.45Å; L157-G182 VanDerWaalsContact CD1-C 3.42Å; L157-G182 WeakPolarHBondContact CD1-O 3.36Å; T179-G182 PolarHBondContact O-N 3.32Å; T179-G182 VanDerWaalsContact O-N 3.12Å; R180-G182 VanDerWaalsContact C-N 3.28Å; R180-G182 PolarHBondContact O-N 3.28Å; G182-E184 VanDerWaalsContact C-N 3.32Å; G182-E184 PolarHBondContact O-N 3.38Å; G182-A185 PolarHBondContact O-N 2.62Å; G182-L186 WeakPolarHBondContact O-CB 3.28Å; G182-L186 PolarHBondContact O-N 2.86Å
183	I	98.6	Very high	97.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-40.2	175.7	-60.5	-58.8	0	0	0	111	L157 I178 T179 R180 L186 A187 L198 L204 A208 L212	L157-I183 HydrophobicContact CD1-CD1 4.2Å; I178-I183 HydrophobicContact CG2-CD1 4.04Å; I178-I183 HydrophobicContact CG2-CG1 4.24Å; T179-I183 PolarHBondContact O-N 3.37Å; R180-I183 PolarHBondContact O-N 3.33Å; R180-I183 VanDerWaalsContact O-N 3.17Å; I183-L186 PolarHBondContact O-N 2.85Å; I183-A187 VanDerWaalsContact O-CB 3.22Å; I183-A187 WeakPolarHBondContact O-CB 3.35Å; I183-A187 PolarHBondContact O-N 3.25Å; I183-L198 HydrophobicContact CD1-CD2 3.83Å; I183-L204 HydrophobicContact CG1-CD2 3.74Å; I183-A208 HydrophobicContact CB-CB 4.24Å; I183-A208 HydrophobicContact CG1-CB 4.3Å; I183-A208 HydrophobicContact CG2-CB 4.22Å; I183-L212 HydrophobicContact CG2-CD1 4.4Å; I183-L212 HydrophobicContact CG2-CD2 3.8Å; I183-L212 HydrophobicContact CG2-CG 3.88Å
184	E	98.6	Very high	97.8	Very high	33 Å²	33	45.4 Å²	45.4	15%	0.154	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-48.6	175.6	-172.6	163.1	162.6	0	0	111.7	R180 D181 G182 A187 R188 Q211	R180-E184 IonicContact NE-OE2 2.65Å; R180-E184 IonicContact NH2-OE2 2.7Å; R180-E184 WeakPolarHBondContact O-CB 3.26Å; R180-E184 PolarHBondContact O-N 2.8Å; D181-E184 PolarHBondContact O-N 3.15Å; G182-E184 VanDerWaalsContact C-N 3.32Å; G182-E184 PolarHBondContact O-N 3.38Å; E184-A187 PolarHBondContact O-N 3.26Å; E184-R188 VanDerWaalsContact O-CG 3.3Å; E184-R188 WeakPolarHBondContact O-CG 3.39Å; E184-R188 PolarHBondContact O-N 2.89Å; E184-R188 VanDerWaalsContact O-N 3.17Å; E184-R188 IonicContact OE1-CZ 3.83Å; E184-R188 VanDerWaalsContact OE1-CZ 3.28Å; E184-R188 IonicContact OE1-NE 3.31Å; E184-R188 IonicContact OE1-NH2 2.68Å; E184-R188 PolarHBondContact OE1-NH2 3.07Å; E184-Q211 HydrophobicContact CB-CB 4.36Å; E184-Q211 HydrophobicContact CB-CG 3.82Å; E184-Q211 HydrophobicContact CG-CB 4.49Å; E184-Q211 HydrophobicContact CG-CG 3.86Å; E184-Q211 PolarHBondContact OE2-NE2 2.96Å
185	A	98.6	Very high	97.8	Very high	19 Å²	19	40.1 Å²	40.1	16%	0.157	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-48.6	176.9	0	0	0	0	0	111.5	K158 S161 D181 G182 R188 G189	K158-A185 HydrophobicContact CB-CB 4.17Å; K158-A185 HydrophobicContact CD-CB 3.83Å; S161-A185 WeakPolarHBondContact CB-O 3.45Å; S161-A185 PolarHBondContact OG-O 2.99Å; D181-A185 WeakPolarHBondContact O-CB 3.3Å; D181-A185 PolarHBondContact O-N 3.19Å; G182-A185 PolarHBondContact O-N 2.62Å; A185-R188 PolarHBondContact O-N 3.21Å; A185-G189 PolarHBondContact O-N 2.98Å
186	L	98.6	Very high	97.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.1	-53.9	177.4	179.4	69.6	0	0	0	111.6	L157 L167 L170 G182 I183 R188 G189 C190 L193 L196	L157-L186 HydrophobicContact CB-CB 4.25Å; L167-L186 HydrophobicContact CD2-CD1 4.39Å; L170-L186 HydrophobicContact CD2-CD1 3.86Å; L170-L186 HydrophobicContact CD2-CD2 3.49Å; L170-L186 VanDerWaalsContact CD2-CD2 3.49Å; L170-L186 HydrophobicContact CD2-CG 4.33Å; G182-L186 WeakPolarHBondContact O-CB 3.28Å; G182-L186 PolarHBondContact O-N 2.86Å; I183-L186 PolarHBondContact O-N 2.85Å; L186-R188 VanDerWaalsContact C-N 3.28Å; L186-R188 PolarHBondContact O-N 3.03Å; L186-G189 PolarHBondContact O-N 3Å; L186-G189 VanDerWaalsContact O-N 3.14Å; L186-C190 HydrophobicContact CD1-CB 4.2Å; L186-C190 WeakPolarHBondContact O-CB 3.42Å; L186-C190 PolarHBondContact O-N 3.03Å; L186-L193 HydrophobicContact CD2-CD2 4.43Å; L186-L196 HydrophobicContact CD2-CD1 4.27Å
187	A	98.2	Very high	98.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-37.3	-173.2	0	0	0	0	0	111.9	I183 E184 G189 L212 H215	I183-A187 VanDerWaalsContact O-CB 3.22Å; I183-A187 WeakPolarHBondContact O-CB 3.35Å; I183-A187 PolarHBondContact O-N 3.25Å; E184-A187 PolarHBondContact O-N 3.26Å; A187-G189 VanDerWaalsContact C-N 3.34Å; A187-G189 PolarHBondContact O-N 2.53Å; A187-L212 HydrophobicContact CB-CD2 4.24Å; A187-H215 HydrophobicContact CB-CB 3.94Å; A187-H215 VanDerWaalsContact O-CB 3.32Å; A187-H215 WeakPolarHBondContact O-CB 3.3Å
188	R	98	Very high	98.3	Very high	154 Å²	154	34.9 Å²	34.9	58%	0.581	18%	0.176	S	C	*	.	H	α-helix	trans	-65.3	-32.5	177.4	-73.8	174.9	179.3	-159.8	3.5	113.8	E184 A185 L186	E184-R188 VanDerWaalsContact O-CG 3.3Å; E184-R188 WeakPolarHBondContact O-CG 3.39Å; E184-R188 PolarHBondContact O-N 2.89Å; E184-R188 VanDerWaalsContact O-N 3.17Å; E184-R188 IonicContact OE1-CZ 3.83Å; E184-R188 VanDerWaalsContact OE1-CZ 3.28Å; E184-R188 IonicContact OE1-NE 3.31Å; E184-R188 IonicContact OE1-NH2 2.68Å; E184-R188 PolarHBondContact OE1-NH2 3.07Å; A185-R188 PolarHBondContact O-N 3.21Å; L186-R188 VanDerWaalsContact C-N 3.28Å; L186-R188 PolarHBondContact O-N 3.03Å
189	G	97.6	Very high	98.3	Very high	16 Å²	16	39.5 Å²	39.5	17%	0.165	19%	0.194	C	C	.	.	H	α-helix	trans	-95.2	-35.4	-178.1	0	0	0	0	0	114.2	A185 L186 A187	A185-G189 PolarHBondContact O-N 2.98Å; L186-G189 PolarHBondContact O-N 3Å; L186-G189 VanDerWaalsContact O-N 3.14Å; A187-G189 VanDerWaalsContact C-N 3.34Å; A187-G189 PolarHBondContact O-N 2.53Å
190	C	97.9	Very high	98.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.			trans	-106.5	61.2	-175.4	-60.4	0	0	0	0	111	C164 L167 L186 G192 L193	C164-C190 PolarHBondContact O-SG 2.88Å; L167-C190 HydrophobicContact CB-CB 4.4Å; L186-C190 HydrophobicContact CD1-CB 4.2Å; L186-C190 WeakPolarHBondContact O-CB 3.42Å; L186-C190 PolarHBondContact O-N 3.03Å; C190-G192 PolarHBondContact O-N 3.25Å; C190-L193 WeakPolarHBondContact O-CB 3.35Å; C190-L193 PolarHBondContact O-N 3.01Å
191	T	97.2	Very high	98.2	Very high	78 Å²	78	33.6 Å²	33.6	48%	0.479	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.8	-175.7	57.4	0	0	0	0	114.1	L193 H215	T191-L193 VanDerWaalsContact C-N 3.27Å; T191-L193 PolarHBondContact O-N 2.97Å; T191-H215 WeakPolarHBondContact CB-O 3.48Å
192	G	97.4	Very high	98.1	Very high	30 Å²	30	31.2 Å²	31.2	31%	0.309	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	9.8	175.3	0	0	0	0	0	114.8	C190 R194	C190-G192 PolarHBondContact O-N 3.25Å; G192-R194 PolarHBondContact O-N 3.43Å
193	L	98.6	Very high	98	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.			trans	-63.6	126.3	-177	-161.6	72.2	0	0	0	111.2	L170 L186 C190 T191 L196 E218 L219	L170-L193 HydrophobicContact CB-CD1 4.29Å; L186-L193 HydrophobicContact CD2-CD2 4.43Å; C190-L193 WeakPolarHBondContact O-CB 3.35Å; C190-L193 PolarHBondContact O-N 3.01Å; T191-L193 VanDerWaalsContact C-N 3.27Å; T191-L193 PolarHBondContact O-N 2.97Å; L193-L196 HydrophobicContact CD2-CB 3.89Å; L193-L196 HydrophobicContact CD2-CD1 4.16Å; L193-L196 HydrophobicContact CD2-CD2 3.97Å; L193-L196 HydrophobicContact CD2-CG 4.21Å; L193-E218 CarbonylContact O-C 3.56Å; L193-L219 HydrophobicContact CD2-CD1 4.41Å; L193-L219 HydrophobicContact CG-CD1 4.37Å; L193-L219 PolarHBondContact O-N 2.85Å
194	R	98.8	Very high	97.9	Very high	102 Å²	102	35.7 Å²	35.7	39%	0.385	18%	0.179	S	C	.	.			trans	-107.6	-35.2	179.3	-61.7	-173.9	177	-72.8	-3.5	112.2	E168 G192 E218 T220 T221	E168-R194 WeakPolarHBondContact O-CA 3.39Å; E168-R194 PolarHBondContact O-N 3.1Å; G192-R194 PolarHBondContact O-N 3.43Å; R194-E218 IonicContact CZ-OE2 3.21Å; R194-E218 IonicContact NH1-OE2 3.52Å; R194-E218 PolarHBondContact NH1-OE2 3.49Å; R194-E218 IonicContact NH2-OE2 3.89Å; R194-T220 PolarHBondContact O-N 3.3Å; R194-T220 PolarHBondContact O-OG1 2.68Å; R194-T220 VanDerWaalsContact O-OG1 3.09Å; R194-T221 PolarHBondContact O-N 3.16Å
195	A	98.9	Very high	97.8	Very high	13 Å²	13	36.9 Å²	36.9	11%	0.107	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.2	-178.4	0	0	0	0	0	111.8	E168 M169 L170 F197 T221	E168-A195 PolarHBondContact O-N 3.05Å; M169-A195 VanDerWaalsContact CA-O 3.3Å; M169-A195 WeakPolarHBondContact CA-O 3.46Å; M169-A195 HydrophobicContact CB-CB 4.07Å; M169-A195 HydrophobicContact CG-CB 3.74Å; L170-A195 PolarHBondContact N-O 3.17Å; A195-F197 HydrophobicContact CB-CE2 3.93Å; A195-F197 HydrophobicContact CB-CZ 4.42Å; A195-T221 WeakPolarHBondContact CA-O 3.45Å; A195-T221 HydrophobicContact CB-CG2 4.37Å
196	L	98.9	Very high	97.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	119	178	-174.9	56.1	0	0	0	110.4	L170 L186 L193 L198 L212 L219 T221 I222 N223	L170-L196 HydrophobicContact CB-CD1 4.1Å; L170-L196 HydrophobicContact CD2-CD1 4.39Å; L170-L196 HydrophobicContact CG-CD1 4.42Å; L170-L196 WeakPolarHBondContact O-CA 3.22Å; L186-L196 HydrophobicContact CD2-CD1 4.27Å; L193-L196 HydrophobicContact CD2-CB 3.89Å; L193-L196 HydrophobicContact CD2-CD1 4.16Å; L193-L196 HydrophobicContact CD2-CD2 3.97Å; L193-L196 HydrophobicContact CD2-CG 4.21Å; L196-L198 HydrophobicContact CD1-CD2 3.93Å; L196-L198 HydrophobicContact CD1-CG 4.31Å; L196-L198 HydrophobicContact CD2-CD1 3.84Å; L196-L198 HydrophobicContact CD2-CD2 4.3Å; L196-L198 HydrophobicContact CD2-CG 4.25Å; L196-L198 HydrophobicContact CG-CD1 3.94Å; L196-L198 HydrophobicContact CG-CD2 3.97Å; L196-L198 HydrophobicContact CG-CG 3.84Å; L196-L212 HydrophobicContact CD2-CD1 3.87Å; L196-L212 HydrophobicContact CD2-CD2 3.7Å; L196-L212 HydrophobicContact CD2-CG 4.45Å; L196-L219 HydrophobicContact CB-CD1 4.18Å; L196-T221 PolarHBondContact N-O 3.2Å; L196-I222 VanDerWaalsContact O-CA 3.31Å; L196-I222 WeakPolarHBondContact O-CA 3.32Å; L196-N223 PolarHBondContact O-N 3.14Å
197	F	98.9	Very high	97.8	Very high	54 Å²	54	37.2 Å²	37.2	24%	0.237	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.8	178.9	-54.7	-94.8	0	0	0	109.6	M169 L170 N171 L172 A195 T221 N223	M169-F197 HydrophobicContact CG-CD2 4.43Å; M169-F197 HydrophobicContact CG-CE2 3.91Å; M169-F197 HydrophobicContact SD-CE2 4.37Å; L170-F197 PolarHBondContact O-N 3.16Å; N171-F197 HydrophobicContact CB-CB 4.04Å; N171-F197 HydrophobicContact CB-CD2 4.04Å; N171-F197 HydrophobicContact CB-CG 4.39Å; N171-F197 WeakPolarHBondContact OD1-CB 3.45Å; L172-F197 PolarHBondContact N-O 3.06Å; A195-F197 HydrophobicContact CB-CE2 3.93Å; A195-F197 HydrophobicContact CB-CZ 4.42Å; F197-T221 HydrophobicContact CE1-CG2 3.93Å; F197-T221 HydrophobicContact CZ-CG2 3.84Å; F197-N223 HydrophobicContact CB-CB 4.41Å; F197-N223 HydrophobicContact CD1-CB 3.66Å; F197-N223 HydrophobicContact CE1-CB 4.43Å; F197-N223 HydrophobicContact CG-CB 4.42Å
198	L	98.5	Very high	97.8	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.188	C	C	.	.			trans	-129	20.5	-171.2	-57.8	168.3	0	0	0	111.1	L172 I183 L196 G200 C201 L204 N223 M224 C227	L172-L198 HydrophobicContact CB-CD2 4.26Å; L172-L198 HydrophobicContact CD1-CD2 4Å; I183-L198 HydrophobicContact CD1-CD2 3.83Å; L196-L198 HydrophobicContact CD1-CD2 3.93Å; L196-L198 HydrophobicContact CD1-CG 4.31Å; L196-L198 HydrophobicContact CD2-CD1 3.84Å; L196-L198 HydrophobicContact CD2-CD2 4.3Å; L196-L198 HydrophobicContact CD2-CG 4.25Å; L196-L198 HydrophobicContact CG-CD1 3.94Å; L196-L198 HydrophobicContact CG-CD2 3.97Å; L196-L198 HydrophobicContact CG-CG 3.84Å; L198-G200 PolarHBondContact O-N 3.36Å; L198-C201 HydrophobicContact CB-CB 4.44Å; L198-C201 WeakPolarHBondContact O-CB 3.29Å; L198-C201 PolarHBondContact O-N 2.62Å; L198-L204 HydrophobicContact CB-CD1 3.9Å; L198-L204 HydrophobicContact CD1-CD1 3.8Å; L198-L204 HydrophobicContact CD2-CD1 4.07Å; L198-L204 HydrophobicContact CG-CD1 4.12Å; L198-N223 CarbonylContact C-O 3.23Å; L198-N223 WeakPolarHBondContact CA-O 3.25Å; L198-N223 WeakPolarHBondContact CB-O 3.47Å; L198-N223 PolarHBondContact N-O 3.3Å; L198-M224 HydrophobicContact CD1-CG 4.35Å; L198-C227 PolarHBondContact O-SG 3.35Å
199	R	98.4	Very high	97.8	Very high	97 Å²	97	30 Å²	30	37%	0.366	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	128.2	-178.2	168.7	174.6	-179.1	174.5	2.3	110.3	S173 W174 C201 Q225	S173-R199 CarbonylContact C-O 3.59Å; S173-R199 WeakPolarHBondContact CA-O 3.39Å; W174-R199 PolarHBondContact N-O 3.43Å; R199-C201 PolarHBondContact O-N 3.08Å; R199-Q225 CarbonylContact C-O 3.38Å; R199-Q225 VanDerWaalsContact CA-O 3.3Å; R199-Q225 WeakPolarHBondContact CA-O 3.45Å; R199-Q225 HydrophobicContact CB-CB 4.17Å; R199-Q225 VanDerWaalsContact CD-OE1 3.25Å; R199-Q225 HydrophobicContact CG-CB 3.9Å; R199-Q225 HydrophobicContact CG-CG 4.26Å; R199-Q225 VanDerWaalsContact CZ-OE1 3.25Å
200	G	96.8	Very high	97.8	Very high	3 Å²	3	32.3 Å²	32.3	3%	0.031	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	13.4	177.6	0	0	0	0	0	114.7	L198 T202 Q225	L198-G200 PolarHBondContact O-N 3.36Å; G200-T202 VanDerWaalsContact C-N 3.32Å; G200-T202 PolarHBondContact O-N 3.26Å; G200-T202 VanDerWaalsContact O-N 3.15Å; G200-Q225 PolarHBondContact N-O 2.96Å
201	C	97.2	Very high	97.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.			trans	-80.3	83.2	165.8	-67.1	0	0	0	0	108.5	L172 C175 L198 R199 Q203 L204 C227	L172-C201 PolarHBondContact O-SG 3Å; C175-C201 PolarHBondContact O-SG 3.03Å; L198-C201 HydrophobicContact CB-CB 4.44Å; L198-C201 WeakPolarHBondContact O-CB 3.29Å; L198-C201 PolarHBondContact O-N 2.62Å; R199-C201 PolarHBondContact O-N 3.08Å; C201-Q203 VanDerWaalsContact C-N 3.27Å; C201-Q203 PolarHBondContact O-N 3.47Å; C201-L204 HydrophobicContact CB-CD1 3.57Å; C201-L204 HydrophobicContact CB-CG 3.88Å; C201-L204 PolarHBondContact O-N 3.03Å; C201-C227 PolarHBondContact O-SG 3.43Å
202	T	95.8	Very high	97.9	Very high	55 Å²	55	29 Å²	29	34%	0.337	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-16.7	-166.7	67.1	0	0	0	0	113.5	D176 G200 L204 Q229	D176-T202 WeakPolarHBondContact OD1-CB 3.39Å; D176-T202 PolarHBondContact OD1-N 2.85Å; D176-T202 PolarHBondContact OD1-OG1 3.41Å; G200-T202 VanDerWaalsContact C-N 3.32Å; G200-T202 PolarHBondContact O-N 3.26Å; G200-T202 VanDerWaalsContact O-N 3.15Å; T202-L204 VanDerWaalsContact C-N 3.29Å; T202-L204 PolarHBondContact O-N 2.59Å; T202-Q229 PolarHBondContact O-NE2 3.24Å
203	Q	95.8	Very high	97.9	Very high	91 Å²	91	30.3 Å²	30.3	43%	0.425	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-2.1	177	-62.5	-163.2	62	0	0	114.6	D176 T179 C201	D176-Q203 WeakPolarHBondContact O-CG 3.48Å; D176-Q203 PolarHBondContact O-NE2 3.01Å; T179-Q203 HydrophobicContact CG2-CB 4.23Å; C201-Q203 VanDerWaalsContact C-N 3.27Å; C201-Q203 PolarHBondContact O-N 3.47Å
204	L	96.9	Very high	97.9	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	17%	0.168	C	C	.	.			trans	-82.9	130.8	-178.2	-65.1	-179.1	0	0	0	112.3	I178 I183 L198 C201 T202 A208 Q229	I178-L204 HydrophobicContact CG2-CD2 4.39Å; I183-L204 HydrophobicContact CG1-CD2 3.74Å; L198-L204 HydrophobicContact CB-CD1 3.9Å; L198-L204 HydrophobicContact CD1-CD1 3.8Å; L198-L204 HydrophobicContact CD2-CD1 4.07Å; L198-L204 HydrophobicContact CG-CD1 4.12Å; C201-L204 HydrophobicContact CB-CD1 3.57Å; C201-L204 HydrophobicContact CB-CG 3.88Å; C201-L204 PolarHBondContact O-N 3.03Å; T202-L204 VanDerWaalsContact C-N 3.29Å; T202-L204 PolarHBondContact O-N 2.59Å; L204-A208 HydrophobicContact CD2-CB 4.14Å; L204-Q229 WeakPolarHBondContact O-CB 3.37Å
205	D	96.8	Very high	97.9	Very high	58 Å²	58	33.9 Å²	33.9	31%	0.31	16%	0.162	S	C	.	.			trans	-114.6	178.3	179.1	68.7	8.1	0	0	0	112.2	G207 A208 I230	D205-G207 PolarHBondContact O-N 3.13Å; D205-G207 VanDerWaalsContact O-N 3.12Å; D205-G207 VanDerWaalsContact OD1-CA 3.29Å; D205-G207 WeakPolarHBondContact OD1-CA 3.09Å; D205-G207 PolarHBondContact OD1-N 3.29Å; D205-A208 WeakPolarHBondContact O-CB 3.27Å; D205-A208 PolarHBondContact O-N 3.4Å; D205-A208 PolarHBondContact OD1-N 3.09Å; D205-I230 VanDerWaalsContact O-CD1 3.3Å; D205-I230 WeakPolarHBondContact O-CD1 3.37Å
206	D	98.4	Very high	97.8	Very high	18 Å²	18	33.3 Å²	33.3	10%	0.096	16%	0.157	C	C	.	.	H	α-helix	trans	-58.6	-25.3	177.4	-66.6	-32.6	0	0	0	113.4	A208 L209 K210 T231 G234	D206-A208 VanDerWaalsContact C-N 3.28Å; D206-A208 PolarHBondContact O-N 3.09Å; D206-L209 PolarHBondContact O-N 3.34Å; D206-K210 WeakPolarHBondContact O-CG 3.28Å; D206-K210 PolarHBondContact O-N 3.29Å; D206-K210 VanDerWaalsContact O-N 3.08Å; D206-T231 PolarHBondContact OD1-N 3.2Å; D206-T231 WeakPolarHBondContact OD2-CB 3.46Å; D206-T231 PolarHBondContact OD2-OG1 2.75Å; D206-G234 VanDerWaalsContact OD1-CA 3.26Å; D206-G234 WeakPolarHBondContact OD1-CA 3.47Å; D206-G234 PolarHBondContact OD1-N 2.85Å; D206-G234 VanDerWaalsContact OD1-N 3.12Å
207	G	98.3	Very high	97.7	Very high	7 Å²	7	36.4 Å²	36.4	7%	0.072	18%	0.178	C	C	.	.	H	α-helix	trans	-63	-34.2	175.2	0	0	0	0	0	112.3	D205 K210 Q211	D205-G207 PolarHBondContact O-N 3.13Å; D205-G207 VanDerWaalsContact O-N 3.12Å; D205-G207 VanDerWaalsContact OD1-CA 3.29Å; D205-G207 WeakPolarHBondContact OD1-CA 3.09Å; D205-G207 PolarHBondContact OD1-N 3.29Å; G207-K210 PolarHBondContact O-N 3.24Å; G207-Q211 WeakPolarHBondContact O-CG 3.48Å; G207-Q211 PolarHBondContact O-N 3.43Å
208	A	98.3	Very high	97.7	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.017	18%	0.178	C	C	.	.	H	α-helix	trans	-63.6	-43.5	173.8	0	0	0	0	0	111.7	R180 I183 L204 D205 D206 K210 Q211 L212	R180-A208 HydrophobicContact CB-CB 4.3Å; R180-A208 HydrophobicContact CG-CB 4.47Å; I183-A208 HydrophobicContact CB-CB 4.24Å; I183-A208 HydrophobicContact CG1-CB 4.3Å; I183-A208 HydrophobicContact CG2-CB 4.22Å; L204-A208 HydrophobicContact CD2-CB 4.14Å; D205-A208 WeakPolarHBondContact O-CB 3.27Å; D205-A208 PolarHBondContact O-N 3.4Å; D205-A208 PolarHBondContact OD1-N 3.09Å; D206-A208 VanDerWaalsContact C-N 3.28Å; D206-A208 PolarHBondContact O-N 3.09Å; A208-K210 VanDerWaalsContact C-N 3.34Å; A208-K210 PolarHBondContact O-N 3Å; A208-Q211 WeakPolarHBondContact O-CB 3.44Å; A208-Q211 PolarHBondContact O-N 3.02Å; A208-L212 PolarHBondContact O-N 3.31Å
209	L	98.5	Very high	97.7	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-68.2	-33.9	-179.9	-56.5	-167	0	0	0	112.7	D206 Q211 L212 Q213 I222 M224 I230 G234 L235 L238	D206-L209 PolarHBondContact O-N 3.34Å; L209-Q211 PolarHBondContact O-N 3.39Å; L209-L212 HydrophobicContact CD2-CD1 4.02Å; L209-L212 PolarHBondContact O-N 3.13Å; L209-Q213 WeakPolarHBondContact O-CB 3.34Å; L209-Q213 PolarHBondContact O-N 3.28Å; L209-I222 HydrophobicContact CD2-CD1 4.3Å; L209-M224 HydrophobicContact CD1-CE 4.05Å; L209-M224 HydrophobicContact CD1-SD 3.87Å; L209-M224 HydrophobicContact CD2-CE 4.36Å; L209-M224 HydrophobicContact CD2-SD 3.31Å; L209-M224 WeakPolarHBondContact CD2-SD 3.4Å; L209-M224 HydrophobicContact CG-SD 4.21Å; L209-I230 HydrophobicContact CD1-CD1 3.96Å; L209-I230 HydrophobicContact CD1-CG1 4.48Å; L209-I230 HydrophobicContact CD1-CG2 3.69Å; L209-I230 HydrophobicContact CG-CD1 3.99Å; L209-G234 WeakPolarHBondContact CB-O 3.3Å; L209-L235 HydrophobicContact CD1-CD2 4.27Å; L209-L235 HydrophobicContact CD1-CG 4.41Å; L209-L238 HydrophobicContact CB-CB 4.36Å
210	K	98.3	Very high	97.7	Very high	63 Å²	63	32.9 Å²	32.9	27%	0.274	17%	0.168	S	C	.	.	H	α-helix	trans	-60.5	-31	170.4	-71.8	171.2	-177.1	170.6	0	112.6	D206 G207 A208 K214 E233 S237	D206-K210 WeakPolarHBondContact O-CG 3.28Å; D206-K210 PolarHBondContact O-N 3.29Å; D206-K210 VanDerWaalsContact O-N 3.08Å; G207-K210 PolarHBondContact O-N 3.24Å; A208-K210 VanDerWaalsContact C-N 3.34Å; A208-K210 PolarHBondContact O-N 3Å; K210-K214 VanDerWaalsContact O-CG 3.28Å; K210-K214 WeakPolarHBondContact O-CG 3.37Å; K210-K214 PolarHBondContact O-N 3.07Å; K210-E233 WeakPolarHBondContact CE-OE1 3.46Å; K210-E233 VanDerWaalsContact NZ-CD 3.3Å; K210-E233 IonicContact NZ-OE1 2.64Å; K210-E233 PolarHBondContact NZ-OE1 2.89Å; K210-E233 IonicContact NZ-OE2 3.7Å; K210-S237 WeakPolarHBondContact CG-OG 3.46Å
211	Q	98.4	Very high	97.8	Very high	9 Å²	9	33.7 Å²	33.7	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-76.1	-40.1	176.2	-57.4	-57.4	-31.1	0	0	111.8	E184 G207 A208 L209 Q213 K214 H215	E184-Q211 HydrophobicContact CB-CB 4.36Å; E184-Q211 HydrophobicContact CB-CG 3.82Å; E184-Q211 HydrophobicContact CG-CB 4.49Å; E184-Q211 HydrophobicContact CG-CG 3.86Å; E184-Q211 PolarHBondContact OE2-NE2 2.96Å; G207-Q211 WeakPolarHBondContact O-CG 3.48Å; G207-Q211 PolarHBondContact O-N 3.43Å; A208-Q211 WeakPolarHBondContact O-CB 3.44Å; A208-Q211 PolarHBondContact O-N 3.02Å; L209-Q211 PolarHBondContact O-N 3.39Å; Q211-Q213 VanDerWaalsContact C-N 3.35Å; Q211-K214 PolarHBondContact O-N 2.76Å; Q211-H215 PolarHBondContact O-CD2 3.18Å; Q211-H215 PolarHBondContact O-N 2.78Å; Q211-H215 VanDerWaalsContact O-N 3.16Å
212	L	98.4	Very high	97.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.9	-45	173.8	-63.8	177.3	0	0	0	111.2	I183 A187 L196 A208 L209 K214 H215 C216 I222 L238	I183-L212 HydrophobicContact CG2-CD1 4.4Å; I183-L212 HydrophobicContact CG2-CD2 3.8Å; I183-L212 HydrophobicContact CG2-CG 3.88Å; A187-L212 HydrophobicContact CB-CD2 4.24Å; L196-L212 HydrophobicContact CD2-CD1 3.87Å; L196-L212 HydrophobicContact CD2-CD2 3.7Å; L196-L212 HydrophobicContact CD2-CG 4.45Å; A208-L212 PolarHBondContact O-N 3.31Å; L209-L212 HydrophobicContact CD2-CD1 4.02Å; L209-L212 PolarHBondContact O-N 3.13Å; L212-K214 VanDerWaalsContact C-N 3.25Å; L212-K214 PolarHBondContact O-N 2.96Å; L212-H215 PolarHBondContact O-N 2.79Å; L212-C216 WeakPolarHBondContact O-CA 3.49Å; L212-C216 WeakPolarHBondContact O-CB 3.35Å; L212-C216 PolarHBondContact O-N 2.93Å; L212-I222 HydrophobicContact CD1-CD1 3.76Å; L212-L238 HydrophobicContact CB-CD1 3.8Å; L212-L238 HydrophobicContact CD1-CD1 4.36Å
213	Q	97.6	Very high	98.1	Very high	57 Å²	57	32.2 Å²	32.2	27%	0.266	16%	0.162	S	C	.	.	H	α-helix	trans	-51.7	-43	173.9	177.4	-79.4	-55.4	0	0	112.6	L209 Q211 S237	L209-Q213 WeakPolarHBondContact O-CB 3.34Å; L209-Q213 PolarHBondContact O-N 3.28Å; Q211-Q213 VanDerWaalsContact C-N 3.35Å; Q213-S237 WeakPolarHBondContact CG-O 3.36Å
214	K	97.8	Very high	98.1	Very high	123 Å²	123	28 Å²	28	54%	0.535	14%	0.142	S	C	.	.	H	α-helix	trans	-75.3	-34.3	-175.8	-73.2	174.4	-169.7	179.3	0	113.8	K210 Q211 L212	K210-K214 VanDerWaalsContact O-CG 3.28Å; K210-K214 WeakPolarHBondContact O-CG 3.37Å; K210-K214 PolarHBondContact O-N 3.07Å; Q211-K214 PolarHBondContact O-N 2.76Å; L212-K214 VanDerWaalsContact C-N 3.25Å; L212-K214 PolarHBondContact O-N 2.96Å
215	H	98.1	Very high	98.2	Very high	55 Å²	55	29.3 Å²	29.3	26%	0.255	15%	0.148	S	C	.	.	H	α-helix	trans	-120.5	-14.5	-164.1	-61.8	-61.8	0	0	0	114.7	A187 T191 Q211 L212 P217	A187-H215 HydrophobicContact CB-CB 3.94Å; A187-H215 VanDerWaalsContact O-CB 3.32Å; A187-H215 WeakPolarHBondContact O-CB 3.3Å; T191-H215 WeakPolarHBondContact CB-O 3.48Å; Q211-H215 PolarHBondContact O-CD2 3.18Å; Q211-H215 PolarHBondContact O-N 2.78Å; Q211-H215 VanDerWaalsContact O-N 3.16Å; L212-H215 PolarHBondContact O-N 2.79Å; H215-P217 VanDerWaalsContact C-CD 3.41Å; H215-P217 WeakPolarHBondContact O-CD 3.45Å
216	C	98	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.			trans	-122.9	63.4	-174.5	-57.7	0	0	0	0	112.7	L212 E218 L219 C242	L212-C216 WeakPolarHBondContact O-CA 3.49Å; L212-C216 WeakPolarHBondContact O-CB 3.35Å; L212-C216 PolarHBondContact O-N 2.93Å; C216-E218 PolarHBondContact O-N 3.31Å; C216-L219 WeakPolarHBondContact O-CB 3.36Å; C216-L219 PolarHBondContact O-N 3.1Å; C216-C242 PolarHBondContact O-SG 3.28Å
217	P	97.5	Very high	98.1	Very high	66 Å²	66	27.2 Å²	27.2	43%	0.429	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-16.3	-179.2	30.1	-36.6	0	0	0	113.8	H215 L219	H215-P217 VanDerWaalsContact C-CD 3.41Å; H215-P217 WeakPolarHBondContact O-CD 3.45Å; P217-L219 VanDerWaalsContact C-N 3.29Å
218	E	98.2	Very high	98	Very high	52 Å²	52	30 Å²	30	24%	0.243	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	3.6	179.6	-66.5	-60.7	129.9	0	0	113.9	L193 R194 C216 T220 K244	L193-E218 CarbonylContact O-C 3.56Å; R194-E218 IonicContact CZ-OE2 3.21Å; R194-E218 IonicContact NH1-OE2 3.52Å; R194-E218 PolarHBondContact NH1-OE2 3.49Å; R194-E218 IonicContact NH2-OE2 3.89Å; C216-E218 PolarHBondContact O-N 3.31Å; E218-T220 PolarHBondContact O-N 3.09Å; E218-K244 IonicContact OE1-NZ 3.36Å; E218-K244 PolarHBondContact OE1-NZ 3.24Å; E218-K244 IonicContact OE2-NZ 2.62Å; E218-K244 PolarHBondContact OE2-NZ 3.26Å
219	L	98.7	Very high	97.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.			trans	-65.2	122	-176.7	-159.7	72.9	0	0	0	110.9	L193 L196 C216 P217 I222 L238 C242 K244 L245	L193-L219 HydrophobicContact CD2-CD1 4.41Å; L193-L219 HydrophobicContact CG-CD1 4.37Å; L193-L219 PolarHBondContact O-N 2.85Å; L196-L219 HydrophobicContact CB-CD1 4.18Å; C216-L219 WeakPolarHBondContact O-CB 3.36Å; C216-L219 PolarHBondContact O-N 3.1Å; P217-L219 VanDerWaalsContact C-N 3.29Å; L219-I222 HydrophobicContact CD2-CB 4.02Å; L219-I222 HydrophobicContact CD2-CD1 4.05Å; L219-I222 HydrophobicContact CD2-CG1 4.32Å; L219-L238 HydrophobicContact CD2-CD1 4.36Å; L219-C242 HydrophobicContact CB-CB 4.28Å; L219-K244 CarbonylContact O-C 3.48Å; L219-L245 HydrophobicContact CD2-CD2 4.4Å; L219-L245 HydrophobicContact CG-CD2 4.4Å; L219-L245 PolarHBondContact O-N 3.46Å
220	T	98.8	Very high	97.8	Very high	26 Å²	26	34.7 Å²	34.7	16%	0.16	18%	0.177	C	C	.	.			trans	-109	-27.3	177.5	62.6	0	0	0	0	112.1	R194 E218 K244 Q246 I247	R194-T220 PolarHBondContact O-N 3.3Å; R194-T220 PolarHBondContact O-OG1 2.68Å; R194-T220 VanDerWaalsContact O-OG1 3.09Å; E218-T220 PolarHBondContact O-N 3.09Å; T220-K244 WeakPolarHBondContact CA-O 3.31Å; T220-K244 HydrophobicContact CG2-CB 4.37Å; T220-Q246 PolarHBondContact O-N 3.45Å; T220-I247 PolarHBondContact O-N 3.18Å
221	T	98.9	Very high	97.8	Very high	19 Å²	19	33.9 Å²	33.9	12%	0.117	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126.5	-175.3	-57.8	0	0	0	0	110	R194 A195 L196 F197 I247	R194-T221 PolarHBondContact O-N 3.16Å; A195-T221 WeakPolarHBondContact CA-O 3.45Å; A195-T221 HydrophobicContact CB-CG2 4.37Å; L196-T221 PolarHBondContact N-O 3.2Å; F197-T221 HydrophobicContact CE1-CG2 3.93Å; F197-T221 HydrophobicContact CZ-CG2 3.84Å; T221-I247 WeakPolarHBondContact CA-O 3.36Å; T221-I247 HydrophobicContact CG2-CB 3.95Å; T221-I247 HydrophobicContact CG2-CG2 4.02Å
222	I	98.8	Very high	97.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131.3	169.4	-162.5	177.6	0	0	0	110	L196 L209 L212 L219 M224 L238 L245 I247 L248 C249	L196-I222 VanDerWaalsContact O-CA 3.31Å; L196-I222 WeakPolarHBondContact O-CA 3.32Å; L209-I222 HydrophobicContact CD2-CD1 4.3Å; L212-I222 HydrophobicContact CD1-CD1 3.76Å; L219-I222 HydrophobicContact CD2-CB 4.02Å; L219-I222 HydrophobicContact CD2-CD1 4.05Å; L219-I222 HydrophobicContact CD2-CG1 4.32Å; I222-M224 HydrophobicContact CD1-CE 4.02Å; I222-M224 HydrophobicContact CD1-CG 4.05Å; I222-M224 HydrophobicContact CD1-SD 3.6Å; I222-M224 VanDerWaalsContact CD1-SD 3.6Å; I222-M224 HydrophobicContact CG1-CE 4.48Å; I222-M224 HydrophobicContact CG1-CG 3.96Å; I222-M224 HydrophobicContact CG1-SD 4.17Å; I222-M224 HydrophobicContact CG2-CE 4.35Å; I222-L238 HydrophobicContact CD1-CD1 4.35Å; I222-L238 HydrophobicContact CD1-CD2 3.73Å; I222-L238 HydrophobicContact CG2-CD2 4.1Å; I222-L245 HydrophobicContact CB-CD2 4.49Å; I222-L245 HydrophobicContact CG2-CD2 4.01Å; I222-I247 PolarHBondContact N-O 2.61Å; I222-L248 HydrophobicContact CG2-CD1 3.24Å; I222-L248 WeakPolarHBondContact O-CA 3.46Å; I222-C249 PolarHBondContact O-N 3.35Å
223	N	98.8	Very high	97.9	Very high	25 Å²	25	40.2 Å²	40.2	13%	0.134	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.1	173.4	-175.8	-41.2	0	0	0	108.7	L196 F197 L198 Q225 C249	L196-N223 PolarHBondContact O-N 3.14Å; F197-N223 HydrophobicContact CB-CB 4.41Å; F197-N223 HydrophobicContact CD1-CB 3.66Å; F197-N223 HydrophobicContact CE1-CB 4.43Å; F197-N223 HydrophobicContact CG-CB 4.42Å; L198-N223 CarbonylContact C-O 3.23Å; L198-N223 WeakPolarHBondContact CA-O 3.25Å; L198-N223 WeakPolarHBondContact CB-O 3.47Å; L198-N223 PolarHBondContact N-O 3.3Å; N223-Q225 WeakPolarHBondContact OD1-CB 3.43Å; N223-Q225 PolarHBondContact OD1-N 2.93Å; N223-C249 HydrophobicContact CB-CB 4.13Å
224	M	97.7	Very high	97.9	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	20%	0.195	C	C	.	.			trans	-126.4	30.9	179.9	-59.3	179.4	-67	0	0	110.3	L198 L209 I222 S226 C227 L235 L238 L248 C249 I250 C253	L198-M224 HydrophobicContact CD1-CG 4.35Å; L209-M224 HydrophobicContact CD1-CE 4.05Å; L209-M224 HydrophobicContact CD1-SD 3.87Å; L209-M224 HydrophobicContact CD2-CE 4.36Å; L209-M224 HydrophobicContact CD2-SD 3.31Å; L209-M224 WeakPolarHBondContact CD2-SD 3.4Å; L209-M224 HydrophobicContact CG-SD 4.21Å; I222-M224 HydrophobicContact CD1-CE 4.02Å; I222-M224 HydrophobicContact CD1-CG 4.05Å; I222-M224 HydrophobicContact CD1-SD 3.6Å; I222-M224 VanDerWaalsContact CD1-SD 3.6Å; I222-M224 HydrophobicContact CG1-CE 4.48Å; I222-M224 HydrophobicContact CG1-CG 3.96Å; I222-M224 HydrophobicContact CG1-SD 4.17Å; I222-M224 HydrophobicContact CG2-CE 4.35Å; M224-S226 PolarHBondContact O-N 2.99Å; M224-C227 HydrophobicContact CB-CB 4.1Å; M224-C227 VanDerWaalsContact O-CB 3.31Å; M224-C227 WeakPolarHBondContact O-CB 3.45Å; M224-C227 PolarHBondContact O-N 2.96Å; M224-L235 HydrophobicContact CE-CD2 3.56Å; M224-L238 HydrophobicContact CE-CD2 4.31Å; M224-L248 HydrophobicContact CE-CD1 3.99Å; M224-C249 PolarHBondContact N-O 3.34Å; M224-I250 HydrophobicContact CE-CG2 3.95Å; M224-C253 PolarHBondContact O-SG 3.03Å; M224-C253 VanDerWaalsContact O-SG 3.35Å
225	Q	98.3	Very high	97.9	Very high	32 Å²	32	31.7 Å²	31.7	15%	0.15	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	129.8	178.6	179.4	175.9	10.7	0	0	110.1	R199 G200 N223 C227 S251	R199-Q225 CarbonylContact C-O 3.38Å; R199-Q225 VanDerWaalsContact CA-O 3.3Å; R199-Q225 WeakPolarHBondContact CA-O 3.45Å; R199-Q225 HydrophobicContact CB-CB 4.17Å; R199-Q225 VanDerWaalsContact CD-OE1 3.25Å; R199-Q225 HydrophobicContact CG-CB 3.9Å; R199-Q225 HydrophobicContact CG-CG 4.26Å; R199-Q225 VanDerWaalsContact CZ-OE1 3.25Å; G200-Q225 PolarHBondContact N-O 2.96Å; N223-Q225 WeakPolarHBondContact OD1-CB 3.43Å; N223-Q225 PolarHBondContact OD1-N 2.93Å; Q225-C227 PolarHBondContact O-N 3.09Å; Q225-S251 CarbonylContact C-O 3.13Å; Q225-S251 VanDerWaalsContact CA-O 3.24Å; Q225-S251 WeakPolarHBondContact CA-O 3.48Å; Q225-S251 WeakPolarHBondContact CG-O 3.33Å
226	S	97	Very high	98	Very high	31 Å²	31	30.3 Å²	30.3	22%	0.217	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	22.8	-178.3	-54.3	0	0	0	0	115.1	M224 T228 S251	M224-S226 PolarHBondContact O-N 2.99Å; S226-T228 VanDerWaalsContact C-N 3.33Å; S226-T228 PolarHBondContact O-N 2.93Å; S226-S251 PolarHBondContact N-O 3.32Å
227	C	96.5	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.			trans	-83.7	75.8	165	-66.7	0	0	0	0	110	L198 C201 M224 Q225 Q229 I230 C253	L198-C227 PolarHBondContact O-SG 3.35Å; C201-C227 PolarHBondContact O-SG 3.43Å; M224-C227 HydrophobicContact CB-CB 4.1Å; M224-C227 VanDerWaalsContact O-CB 3.31Å; M224-C227 WeakPolarHBondContact O-CB 3.45Å; M224-C227 PolarHBondContact O-N 2.96Å; Q225-C227 PolarHBondContact O-N 3.09Å; C227-Q229 PolarHBondContact O-N 3.46Å; C227-Q229 VanDerWaalsContact O-N 3.14Å; C227-I230 HydrophobicContact CB-CG1 3.79Å; C227-I230 WeakPolarHBondContact O-CB 3.5Å; C227-I230 WeakPolarHBondContact O-CG1 3.37Å; C227-I230 PolarHBondContact O-N 2.79Å; C227-I230 VanDerWaalsContact O-N 3.14Å; C227-C253 PolarHBondContact O-SG 2.89Å; C227-C253 VanDerWaalsContact O-SG 3.41Å
228	T	94.6	Very high	98	Very high	66 Å²	66	28.1 Å²	28.1	41%	0.405	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.5	-167.1	55.6	0	0	0	0	115.5	S226 I230 N255	S226-T228 VanDerWaalsContact C-N 3.33Å; S226-T228 PolarHBondContact O-N 2.93Å; T228-I230 VanDerWaalsContact C-N 3.34Å; T228-N255 PolarHBondContact O-ND2 3.42Å
229	Q	96.6	Very high	98	Very high	102 Å²	102	25.7 Å²	25.7	48%	0.477	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-4.5	177.5	-64.2	-174.4	73	0	0	113.5	T202 L204 C227	T202-Q229 PolarHBondContact O-NE2 3.24Å; L204-Q229 WeakPolarHBondContact O-CB 3.37Å; C227-Q229 PolarHBondContact O-N 3.46Å; C227-Q229 VanDerWaalsContact O-N 3.14Å
230	I	97.5	Very high	98	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.169	C	C	.	.			trans	-76.2	134.7	174.6	-59.7	-56.7	0	0	0	110.1	D205 L209 C227 T228 L235	D205-I230 VanDerWaalsContact O-CD1 3.3Å; D205-I230 WeakPolarHBondContact O-CD1 3.37Å; L209-I230 HydrophobicContact CD1-CD1 3.96Å; L209-I230 HydrophobicContact CD1-CG1 4.48Å; L209-I230 HydrophobicContact CD1-CG2 3.69Å; L209-I230 HydrophobicContact CG-CD1 3.99Å; C227-I230 HydrophobicContact CB-CG1 3.79Å; C227-I230 WeakPolarHBondContact O-CB 3.5Å; C227-I230 WeakPolarHBondContact O-CG1 3.37Å; C227-I230 PolarHBondContact O-N 2.79Å; C227-I230 VanDerWaalsContact O-N 3.14Å; T228-I230 VanDerWaalsContact C-N 3.34Å; I230-L235 HydrophobicContact CG2-CD1 4.44Å; I230-L235 HydrophobicContact CG2-CG 4.02Å
231	T	98.5	Very high	97.9	Very high	45 Å²	45	32.7 Å²	32.7	28%	0.276	17%	0.167	S	C	.	.	B	Isolated β-bridge	trans	-123.7	-176.7	177.3	83.6	0	0	0	0	111.1	D206 E233 G234 L235 N255	D206-T231 PolarHBondContact OD1-N 3.2Å; D206-T231 WeakPolarHBondContact OD2-CB 3.46Å; D206-T231 PolarHBondContact OD2-OG1 2.75Å; T231-E233 PolarHBondContact O-N 3.42Å; T231-E233 PolarHBondContact OG1-N 3.45Å; T231-G234 PolarHBondContact O-N 3.25Å; T231-L235 PolarHBondContact O-N 3.07Å; T231-N255 HydrophobicContact CG2-CB 4.1Å
232	D	98.7	Very high	97.8	Very high	29 Å²	29	31.8 Å²	31.8	16%	0.155	16%	0.162	C	C	.	.	H	α-helix	trans	-57.4	-32.1	173.1	-64.6	-43.2	0	0	0	113.2	G234 L235 V236 T257 A259 S260	D232-G234 PolarHBondContact O-N 3Å; D232-L235 PolarHBondContact O-N 3.15Å; D232-V236 WeakPolarHBondContact O-CB 3.32Å; D232-V236 WeakPolarHBondContact O-CG2 3.35Å; D232-V236 PolarHBondContact O-N 3.02Å; D232-T257 PolarHBondContact OD1-N 2.97Å; D232-T257 WeakPolarHBondContact OD2-CB 3.47Å; D232-T257 WeakPolarHBondContact OD2-CG2 3.45Å; D232-T257 PolarHBondContact OD2-N 3.21Å; D232-T257 PolarHBondContact OD2-OG1 3.47Å; D232-A259 HydrophobicContact CB-CB 4.07Å; D232-S260 WeakPolarHBondContact CA-OG 3.3Å; D232-S260 VanDerWaalsContact OD1-CB 3.31Å; D232-S260 WeakPolarHBondContact OD1-CB 3.46Å; D232-S260 PolarHBondContact OD1-N 3.21Å; D232-S260 PolarHBondContact OD1-OG 2.86Å
233	E	98.6	Very high	97.8	Very high	114 Å²	114	36.1 Å²	36.1	53%	0.533	18%	0.182	S	C	.	.	H	α-helix	trans	-61.6	-45.6	-178	-166.5	-170.3	174.6	0	0	111.6	K210 T231 S237	K210-E233 WeakPolarHBondContact CE-OE1 3.46Å; K210-E233 VanDerWaalsContact NZ-CD 3.3Å; K210-E233 IonicContact NZ-OE1 2.64Å; K210-E233 PolarHBondContact NZ-OE1 2.89Å; K210-E233 IonicContact NZ-OE2 3.7Å; T231-E233 PolarHBondContact O-N 3.42Å; T231-E233 PolarHBondContact OG1-N 3.45Å; E233-S237 WeakPolarHBondContact O-CB 3.46Å; E233-S237 PolarHBondContact O-N 3.01Å; E233-S237 VanDerWaalsContact O-N 3.12Å
234	G	98.4	Very high	97.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.1	-45.9	178.9	0	0	0	0	0	112.3	D206 L209 T231 D232 S237 L238	D206-G234 VanDerWaalsContact OD1-CA 3.26Å; D206-G234 WeakPolarHBondContact OD1-CA 3.47Å; D206-G234 PolarHBondContact OD1-N 2.85Å; D206-G234 VanDerWaalsContact OD1-N 3.12Å; L209-G234 WeakPolarHBondContact CB-O 3.3Å; T231-G234 PolarHBondContact O-N 3.25Å; D232-G234 PolarHBondContact O-N 3Å; G234-S237 WeakPolarHBondContact O-CB 3.24Å; G234-S237 PolarHBondContact O-N 2.96Å; G234-L238 PolarHBondContact O-N 3.46Å
235	L	98.5	Very high	97.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.1	-43.5	180	-79.5	175.6	0	0	0	112.5	L209 M224 I230 T231 D232 S237 L238 C239 L248 I250 V256 S260	L209-L235 HydrophobicContact CD1-CD2 4.27Å; L209-L235 HydrophobicContact CD1-CG 4.41Å; M224-L235 HydrophobicContact CE-CD2 3.56Å; I230-L235 HydrophobicContact CG2-CD1 4.44Å; I230-L235 HydrophobicContact CG2-CG 4.02Å; T231-L235 PolarHBondContact O-N 3.07Å; D232-L235 PolarHBondContact O-N 3.15Å; L235-S237 VanDerWaalsContact C-N 3.27Å; L235-S237 PolarHBondContact O-N 2.87Å; L235-L238 WeakPolarHBondContact O-CB 3.37Å; L235-L238 PolarHBondContact O-N 3.07Å; L235-C239 PolarHBondContact O-N 3.07Å; L235-C239 PolarHBondContact O-SG 2.82Å; L235-L248 HydrophobicContact CD2-CD1 4.5Å; L235-I250 HydrophobicContact CD1-CD1 4.34Å; L235-I250 HydrophobicContact CD1-CG2 4Å; L235-I250 HydrophobicContact CD2-CG2 3.87Å; L235-V256 HydrophobicContact CD1-CB 4.36Å; L235-V256 HydrophobicContact CD1-CG1 3.86Å; L235-V256 HydrophobicContact CD1-CG2 3.51Å; L235-S260 WeakPolarHBondContact CB-OG 3.2Å; L235-S260 WeakPolarHBondContact CD1-OG 3.34Å
236	V	98.8	Very high	97.9	Very high	27 Å²	27	39.9 Å²	39.9	16%	0.164	20%	0.197	C	C	.	.	H	α-helix	trans	-59	-42.9	174.4	171.6	0	0	0	0	110.1	D232 R240 A263	D232-V236 WeakPolarHBondContact O-CB 3.32Å; D232-V236 WeakPolarHBondContact O-CG2 3.35Å; D232-V236 PolarHBondContact O-N 3.02Å; V236-R240 WeakPolarHBondContact O-CG 3.37Å; V236-R240 PolarHBondContact O-N 3.48Å; V236-A263 HydrophobicContact CB-CB 4.18Å; V236-A263 HydrophobicContact CG1-CB 4.25Å; V236-A263 HydrophobicContact CG2-CB 3.76Å
237	S	98.4	Very high	98	Very high	20 Å²	20	41 Å²	41	14%	0.14	20%	0.2	C	C	.	.	H	α-helix	trans	-60.1	-51.9	174.8	-168.8	0	0	0	0	110.8	K210 Q213 E233 G234 L235 C239 R240 G241	K210-S237 WeakPolarHBondContact CG-OG 3.46Å; Q213-S237 WeakPolarHBondContact CG-O 3.36Å; E233-S237 WeakPolarHBondContact O-CB 3.46Å; E233-S237 PolarHBondContact O-N 3.01Å; E233-S237 VanDerWaalsContact O-N 3.12Å; G234-S237 WeakPolarHBondContact O-CB 3.24Å; G234-S237 PolarHBondContact O-N 2.96Å; L235-S237 VanDerWaalsContact C-N 3.27Å; L235-S237 PolarHBondContact O-N 2.87Å; S237-C239 VanDerWaalsContact C-N 3.33Å; S237-C239 PolarHBondContact O-N 3.32Å; S237-R240 PolarHBondContact O-N 3.33Å; S237-R240 VanDerWaalsContact O-N 3.12Å; S237-G241 PolarHBondContact O-N 2.99Å
238	L	98.5	Very high	98.1	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-54	-49.3	-179.5	-174	71.4	0	0	0	111.8	L209 L212 L219 I222 M224 G234 L235 R240 G241 C242 L245	L209-L238 HydrophobicContact CB-CB 4.36Å; L212-L238 HydrophobicContact CB-CD1 3.8Å; L212-L238 HydrophobicContact CD1-CD1 4.36Å; L219-L238 HydrophobicContact CD2-CD1 4.36Å; I222-L238 HydrophobicContact CD1-CD1 4.35Å; I222-L238 HydrophobicContact CD1-CD2 3.73Å; I222-L238 HydrophobicContact CG2-CD2 4.1Å; M224-L238 HydrophobicContact CE-CD2 4.31Å; G234-L238 PolarHBondContact O-N 3.46Å; L235-L238 WeakPolarHBondContact O-CB 3.37Å; L235-L238 PolarHBondContact O-N 3.07Å; L238-R240 VanDerWaalsContact C-N 3.25Å; L238-R240 PolarHBondContact O-N 3.05Å; L238-G241 PolarHBondContact O-N 2.74Å; L238-C242 WeakPolarHBondContact O-CB 3.33Å; L238-C242 PolarHBondContact O-N 2.82Å; L238-L245 HydrophobicContact CD2-CD1 4.31Å; L238-L245 HydrophobicContact CG-CD1 4.36Å
239	C	98.2	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.1	-36	-179.2	-64.9	0	0	0	0	112.5	L235 S237 G241 A263 L264 N267	L235-C239 PolarHBondContact O-N 3.07Å; L235-C239 PolarHBondContact O-SG 2.82Å; S237-C239 VanDerWaalsContact C-N 3.33Å; S237-C239 PolarHBondContact O-N 3.32Å; C239-G241 VanDerWaalsContact C-N 3.26Å; C239-G241 PolarHBondContact O-N 3.41Å; C239-A263 HydrophobicContact CB-CB 4.23Å; C239-L264 WeakPolarHBondContact SG-CD2 3.32Å; C239-N267 HydrophobicContact CB-CB 4.16Å; C239-N267 WeakPolarHBondContact O-CB 3.43Å
240	R	97.8	Very high	98.4	Very high	163 Å²	163	33.1 Å²	33.1	62%	0.615	16%	0.159	S	C	*	.	H	α-helix	trans	-71.3	-15	178.8	-72.2	174.6	-178.7	175.1	2.9	114.4	V236 S237 L238 H243	V236-R240 WeakPolarHBondContact O-CG 3.37Å; V236-R240 PolarHBondContact O-N 3.48Å; S237-R240 PolarHBondContact O-N 3.33Å; S237-R240 VanDerWaalsContact O-N 3.12Å; L238-R240 VanDerWaalsContact C-N 3.25Å; L238-R240 PolarHBondContact O-N 3.05Å; R240-H243 PolarHBondContact O-CE1 2.99Å; R240-H243 PolarHBondContact O-NE2 2.91Å
241	G	96.7	Very high	98.4	Very high	11 Å²	11	33.2 Å²	33.2	11%	0.113	16%	0.159	C	C	.	.	H	α-helix	trans	-111.2	-29.1	177.1	0	0	0	0	0	114.2	S237 L238 C239	S237-G241 PolarHBondContact O-N 2.99Å; L238-G241 PolarHBondContact O-N 2.74Å; C239-G241 VanDerWaalsContact C-N 3.26Å; C239-G241 PolarHBondContact O-N 3.41Å
242	C	97.9	Very high	98.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.152	C	C	.	.			trans	-107.5	63.5	-172.1	-58.1	0	0	0	0	111.6	C216 L219 L238 K244 L245	C216-C242 PolarHBondContact O-SG 3.28Å; L219-C242 HydrophobicContact CB-CB 4.28Å; L238-C242 WeakPolarHBondContact O-CB 3.33Å; L238-C242 PolarHBondContact O-N 2.82Å; C242-K244 PolarHBondContact O-N 3.41Å; C242-K244 VanDerWaalsContact O-N 3.09Å; C242-L245 HydrophobicContact CB-CD1 3.87Å; C242-L245 HydrophobicContact CB-CG 3.88Å; C242-L245 VanDerWaalsContact O-CG 3.29Å; C242-L245 WeakPolarHBondContact O-CG 3.34Å; C242-L245 PolarHBondContact O-N 2.86Å
243	H	98.1	Very high	98.3	Very high	91 Å²	91	30.2 Å²	30.2	42%	0.421	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-12.5	-176.5	-57.9	-62.1	0	0	0	115.1	R240 L245 N267	R240-H243 PolarHBondContact O-CE1 2.99Å; R240-H243 PolarHBondContact O-NE2 2.91Å; H243-L245 VanDerWaalsContact C-N 3.34Å; H243-N267 WeakPolarHBondContact CA-O 3.18Å; H243-N267 PolarHBondContact ND1-O 3.26Å
244	K	98.6	Very high	98	Very high	81 Å²	81	27.3 Å²	27.3	35%	0.352	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	7.5	178.7	-61.3	-174.4	-178.1	177.7	0	113	E218 L219 T220 C242 Q246	E218-K244 IonicContact OE1-NZ 3.36Å; E218-K244 PolarHBondContact OE1-NZ 3.24Å; E218-K244 IonicContact OE2-NZ 2.62Å; E218-K244 PolarHBondContact OE2-NZ 3.26Å; L219-K244 CarbonylContact O-C 3.48Å; T220-K244 WeakPolarHBondContact CA-O 3.31Å; T220-K244 HydrophobicContact CG2-CB 4.37Å; C242-K244 PolarHBondContact O-N 3.41Å; C242-K244 VanDerWaalsContact O-N 3.09Å; K244-Q246 WeakPolarHBondContact O-CG 3.42Å; K244-Q246 PolarHBondContact O-N 2.7Å
245	L	98.8	Very high	98	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.			trans	-58	128.9	178	-81.8	171	0	0	0	111.2	L219 I222 L238 C242 H243 C268 Q270 L271	L219-L245 HydrophobicContact CD2-CD2 4.4Å; L219-L245 HydrophobicContact CG-CD2 4.4Å; L219-L245 PolarHBondContact O-N 3.46Å; I222-L245 HydrophobicContact CB-CD2 4.49Å; I222-L245 HydrophobicContact CG2-CD2 4.01Å; L238-L245 HydrophobicContact CD2-CD1 4.31Å; L238-L245 HydrophobicContact CG-CD1 4.36Å; C242-L245 HydrophobicContact CB-CD1 3.87Å; C242-L245 HydrophobicContact CB-CG 3.88Å; C242-L245 VanDerWaalsContact O-CG 3.29Å; C242-L245 WeakPolarHBondContact O-CG 3.34Å; C242-L245 PolarHBondContact O-N 2.86Å; H243-L245 VanDerWaalsContact C-N 3.34Å; L245-C268 HydrophobicContact CB-CB 4.34Å; L245-Q270 CarbonylContact O-C 3.34Å; L245-L271 PolarHBondContact O-N 3.23Å
246	Q	98.9	Very high	97.9	Very high	57 Å²	57	31 Å²	31	27%	0.266	16%	0.156	S	C	.	.			trans	-120.5	-33	178.4	-61.5	-176.7	10	0	0	111.4	T220 K244 Q270 K272 I273	T220-Q246 PolarHBondContact O-N 3.45Å; K244-Q246 WeakPolarHBondContact O-CG 3.42Å; K244-Q246 PolarHBondContact O-N 2.7Å; Q246-Q270 HydrophobicContact CG-CB 4.25Å; Q246-K272 HydrophobicContact CB-CG 4.45Å; Q246-K272 WeakPolarHBondContact O-CA 3.39Å; Q246-K272 PolarHBondContact O-N 2.65Å; Q246-I273 PolarHBondContact O-N 3.14Å
247	I	98.9	Very high	97.9	Very high	55 Å²	55	31.8 Å²	31.8	28%	0.282	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	119	-177.7	-56.1	178.3	0	0	0	108.6	T220 T221 I222 I273	T220-I247 PolarHBondContact O-N 3.18Å; T221-I247 WeakPolarHBondContact CA-O 3.36Å; T221-I247 HydrophobicContact CG2-CB 3.95Å; T221-I247 HydrophobicContact CG2-CG2 4.02Å; I222-I247 PolarHBondContact N-O 2.61Å; I247-I273 WeakPolarHBondContact CA-O 3.39Å; I247-I273 HydrophobicContact CB-CB 4.35Å; I247-I273 HydrophobicContact CD1-CD1 4.03Å; I247-I273 HydrophobicContact CG1-CB 4.09Å; I247-I273 HydrophobicContact CG1-CD1 4.06Å; I247-I273 HydrophobicContact CG1-CG1 4.21Å; I247-I273 HydrophobicContact CG2-CB 4.08Å; I247-I273 HydrophobicContact CG2-CG2 4.23Å
248	L	98.9	Very high	97.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.5	175.2	175.5	63	0	0	0	109.7	I222 M224 L235 I250 L264 L271 I273 L274 E275	I222-L248 HydrophobicContact CG2-CD1 3.24Å; I222-L248 WeakPolarHBondContact O-CA 3.46Å; M224-L248 HydrophobicContact CE-CD1 3.99Å; L235-L248 HydrophobicContact CD2-CD1 4.5Å; L248-I250 HydrophobicContact CD1-CG2 3.68Å; L248-I250 HydrophobicContact CD2-CG2 4.18Å; L248-I250 HydrophobicContact CG-CG2 3.9Å; L248-L264 HydrophobicContact CD2-CD1 3.49Å; L248-L264 VanDerWaalsContact CD2-CD1 3.49Å; L248-L264 HydrophobicContact CD2-CD2 3.44Å; L248-L264 VanDerWaalsContact CD2-CD2 3.44Å; L248-L264 HydrophobicContact CD2-CG 4.05Å; L248-L271 HydrophobicContact CB-CD1 4.2Å; L248-I273 PolarHBondContact N-O 2.68Å; L248-L274 HydrophobicContact CB-CD1 4.31Å; L248-L274 HydrophobicContact CD2-CD1 4.09Å; L248-L274 HydrophobicContact CG-CD1 4.22Å; L248-L274 WeakPolarHBondContact O-CA 3.32Å; L248-E275 PolarHBondContact O-N 3.44Å
249	C	98.8	Very high	97.9	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.014	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119	167.1	179.7	0	0	0	0	109.9	I222 N223 M224 E275	I222-C249 PolarHBondContact O-N 3.35Å; N223-C249 HydrophobicContact CB-CB 4.13Å; M224-C249 PolarHBondContact N-O 3.34Å; C249-E275 WeakPolarHBondContact CA-O 3.37Å; C249-E275 HydrophobicContact CB-CB 3.93Å; C249-E275 WeakPolarHBondContact CB-OE2 3.4Å; C249-E275 PolarHBondContact SG-OE2 3.37Å
250	I	98.4	Very high	98	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.18	C	C	.	.			trans	-123.6	19	176.9	52.1	165.3	0	0	0	111	M224 L235 L248 G252 C253 V256 L274 E275 A276 C279	M224-I250 HydrophobicContact CE-CG2 3.95Å; L235-I250 HydrophobicContact CD1-CD1 4.34Å; L235-I250 HydrophobicContact CD1-CG2 4Å; L235-I250 HydrophobicContact CD2-CG2 3.87Å; L248-I250 HydrophobicContact CD1-CG2 3.68Å; L248-I250 HydrophobicContact CD2-CG2 4.18Å; L248-I250 HydrophobicContact CG-CG2 3.9Å; I250-G252 PolarHBondContact O-N 3.28Å; I250-C253 HydrophobicContact CB-CB 4.37Å; I250-C253 WeakPolarHBondContact O-CB 3.24Å; I250-C253 PolarHBondContact O-N 3.2Å; I250-C253 PolarHBondContact O-SG 2.75Å; I250-C253 VanDerWaalsContact O-SG 3.37Å; I250-V256 HydrophobicContact CD1-CG1 3.96Å; I250-L274 HydrophobicContact CG1-CD1 4.47Å; I250-E275 PolarHBondContact N-O 3.27Å; I250-A276 HydrophobicContact CD1-CB 4.17Å; I250-A276 HydrophobicContact CG1-CB 4.11Å; I250-C279 PolarHBondContact O-SG 2.79Å; I250-C279 VanDerWaalsContact O-SG 3.38Å
251	S	98.6	Very high	98	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.014	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	129.6	-175.6	-63.3	0	0	0	0	111.4	Q225 S226 C253 E275 A277	Q225-S251 CarbonylContact C-O 3.13Å; Q225-S251 VanDerWaalsContact CA-O 3.24Å; Q225-S251 WeakPolarHBondContact CA-O 3.48Å; Q225-S251 WeakPolarHBondContact CG-O 3.33Å; S226-S251 PolarHBondContact N-O 3.32Å; S251-C253 VanDerWaalsContact C-N 3.31Å; S251-E275 PolarHBondContact N-O 3.06Å; S251-E275 VanDerWaalsContact OG-C 3.25Å; S251-E275 PolarHBondContact OG-O 2.86Å; S251-E275 VanDerWaalsContact OG-O 3.1Å; S251-A277 CarbonylContact C-O 3.54Å; S251-A277 WeakPolarHBondContact CA-O 3.38Å; S251-A277 WeakPolarHBondContact CB-O 3.46Å; S251-A277 PolarHBondContact OG-N 3.45Å; S251-A277 VanDerWaalsContact OG-N 3.15Å
252	G	97.4	Very high	98.1	Very high	11 Å²	11	28.1 Å²	28.1	11%	0.113	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	6.9	-174.5	0	0	0	0	0	114.9	I250 S254 A277	I250-G252 PolarHBondContact O-N 3.28Å; G252-S254 VanDerWaalsContact C-N 3.34Å; G252-S254 PolarHBondContact O-N 3.45Å; G252-A277 PolarHBondContact N-O 3.49Å
253	C	96.7	Very high	98.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.161	C	C	.	.			trans	-82.5	81.2	166	-60.7	0	0	0	0	109	M224 C227 I250 S251 N255 V256 C279	M224-C253 PolarHBondContact O-SG 3.03Å; M224-C253 VanDerWaalsContact O-SG 3.35Å; C227-C253 PolarHBondContact O-SG 2.89Å; C227-C253 VanDerWaalsContact O-SG 3.41Å; I250-C253 HydrophobicContact CB-CB 4.37Å; I250-C253 WeakPolarHBondContact O-CB 3.24Å; I250-C253 PolarHBondContact O-N 3.2Å; I250-C253 PolarHBondContact O-SG 2.75Å; I250-C253 VanDerWaalsContact O-SG 3.37Å; S251-C253 VanDerWaalsContact C-N 3.31Å; C253-N255 PolarHBondContact O-N 2.96Å; C253-N255 VanDerWaalsContact O-N 3.17Å; C253-V256 HydrophobicContact CB-CG2 3.68Å; C253-V256 WeakPolarHBondContact O-CB 3.37Å; C253-V256 WeakPolarHBondContact O-CG2 3.35Å; C253-V256 PolarHBondContact O-N 3.18Å; C253-C279 PolarHBondContact O-SG 3.33Å; C253-C279 VanDerWaalsContact O-SG 3.35Å
254	S	93.9	Very high	98.2	Very high	53 Å²	53	24.2 Å²	24.2	37%	0.371	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-12.6	-170.9	58.4	0	0	0	0	115.2	G252 V256 L281	G252-S254 VanDerWaalsContact C-N 3.34Å; G252-S254 PolarHBondContact O-N 3.45Å; S254-V256 VanDerWaalsContact C-N 3.32Å; S254-L281 WeakPolarHBondContact O-CD1 3.06Å
255	N	96.4	Very high	98.2	Very high	77 Å²	77	20.4 Å²	20.4	41%	0.412	13%	0.125	S	C	.	.	B	Isolated β-bridge	trans	-91.4	8.2	179.1	-62.7	-42.5	0	0	0	113.2	T228 T231 C253	T228-N255 PolarHBondContact O-ND2 3.42Å; T231-N255 HydrophobicContact CG2-CB 4.1Å; C253-N255 PolarHBondContact O-N 2.96Å; C253-N255 VanDerWaalsContact O-N 3.17Å
256	V	97.8	Very high	98.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.153	C	C	.	.			trans	-89.8	132.8	-179.9	176.4	0	0	0	0	110.4	L235 I250 C253 S254 V282	L235-V256 HydrophobicContact CD1-CB 4.36Å; L235-V256 HydrophobicContact CD1-CG1 3.86Å; L235-V256 HydrophobicContact CD1-CG2 3.51Å; I250-V256 HydrophobicContact CD1-CG1 3.96Å; C253-V256 HydrophobicContact CB-CG2 3.68Å; C253-V256 WeakPolarHBondContact O-CB 3.37Å; C253-V256 WeakPolarHBondContact O-CG2 3.35Å; C253-V256 PolarHBondContact O-N 3.18Å; S254-V256 VanDerWaalsContact C-N 3.32Å; V256-V282 HydrophobicContact CG1-CG1 4.49Å
257	T	98.7	Very high	98.1	Very high	44 Å²	44	25 Å²	25	27%	0.27	15%	0.151	S	C	.	.	B	Isolated β-bridge	trans	-122.7	-173.5	-180	80.1	0	0	0	0	111.8	D232 A259 S260 L281	D232-T257 PolarHBondContact OD1-N 2.97Å; D232-T257 WeakPolarHBondContact OD2-CB 3.47Å; D232-T257 WeakPolarHBondContact OD2-CG2 3.45Å; D232-T257 PolarHBondContact OD2-N 3.21Å; D232-T257 PolarHBondContact OD2-OG1 3.47Å; T257-A259 PolarHBondContact O-N 3.02Å; T257-A259 VanDerWaalsContact O-N 3.08Å; T257-A259 PolarHBondContact OG1-N 3.39Å; T257-S260 PolarHBondContact O-N 3.18Å; T257-S260 VanDerWaalsContact O-N 3.12Å; T257-L281 HydrophobicContact CG2-CB 4.06Å; T257-L281 HydrophobicContact CG2-CD1 4.15Å
258	D	98.8	Very high	98.1	Very high	29 Å²	29	22.3 Å²	22.3	16%	0.155	14%	0.137	C	C	.	.	H	α-helix	trans	-57	-20.6	175	-66.9	-31.2	0	0	0	114.1	S260 L261 T262 T283 G286	D258-S260 VanDerWaalsContact C-N 3.34Å; D258-S260 PolarHBondContact O-N 3.07Å; D258-L261 PolarHBondContact O-N 2.64Å; D258-T262 VanDerWaalsContact O-CB 3.26Å; D258-T262 WeakPolarHBondContact O-CB 3.21Å; D258-T262 PolarHBondContact O-N 3.03Å; D258-T262 PolarHBondContact O-OG1 3.42Å; D258-T283 PolarHBondContact OD1-N 3.17Å; D258-T283 PolarHBondContact OD2-OG1 3.25Å; D258-G286 VanDerWaalsContact CG-N 3.32Å; D258-G286 WeakPolarHBondContact OD1-CA 3.42Å; D258-G286 PolarHBondContact OD1-N 2.94Å; D258-G286 VanDerWaalsContact OD1-N 3.16Å
259	A	98.8	Very high	98.1	Very high	46 Å²	46	25.7 Å²	25.7	38%	0.38	16%	0.159	S	C	.	.	H	α-helix	trans	-62.5	-40.9	175.4	0	0	0	0	0	111.9	D232 T257 A263	D232-A259 HydrophobicContact CB-CB 4.07Å; T257-A259 PolarHBondContact O-N 3.02Å; T257-A259 VanDerWaalsContact O-N 3.08Å; T257-A259 PolarHBondContact OG1-N 3.39Å; A259-A263 PolarHBondContact O-N 3.22Å
260	S	98.6	Very high	98.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.9	-44.4	174.4	-71.3	0	0	0	0	112.5	D232 L235 T257 D258 T262 A263 L264	D232-S260 WeakPolarHBondContact CA-OG 3.3Å; D232-S260 VanDerWaalsContact OD1-CB 3.31Å; D232-S260 WeakPolarHBondContact OD1-CB 3.46Å; D232-S260 PolarHBondContact OD1-N 3.21Å; D232-S260 PolarHBondContact OD1-OG 2.86Å; L235-S260 WeakPolarHBondContact CB-OG 3.2Å; L235-S260 WeakPolarHBondContact CD1-OG 3.34Å; T257-S260 PolarHBondContact O-N 3.18Å; T257-S260 VanDerWaalsContact O-N 3.12Å; D258-S260 VanDerWaalsContact C-N 3.34Å; D258-S260 PolarHBondContact O-N 3.07Å; S260-T262 VanDerWaalsContact C-N 3.3Å; S260-T262 PolarHBondContact O-N 3.2Å; S260-A263 PolarHBondContact O-N 3.37Å; S260-L264 WeakPolarHBondContact O-CG 3.42Å; S260-L264 PolarHBondContact O-N 3.16Å
261	L	98.7	Very high	98.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-39.4	177.7	-63.4	-173.9	0	0	0	111.8	D258 L264 G265 L274 V282 F287	D258-L261 PolarHBondContact O-N 2.64Å; L261-L264 HydrophobicContact CD2-CD1 4.22Å; L261-L264 PolarHBondContact O-N 3.36Å; L261-G265 PolarHBondContact O-N 3.4Å; L261-L274 HydrophobicContact CD2-CD2 4.06Å; L261-V282 HydrophobicContact CD1-CB 3.75Å; L261-V282 HydrophobicContact CD1-CG1 3.91Å; L261-V282 HydrophobicContact CD1-CG2 4.39Å; L261-V282 HydrophobicContact CG-CG1 4.24Å; L261-F287 HydrophobicContact CD1-CD1 3.89Å; L261-F287 HydrophobicContact CD1-CD2 4.13Å; L261-F287 HydrophobicContact CD1-CE1 3.71Å; L261-F287 HydrophobicContact CD1-CE2 3.98Å; L261-F287 HydrophobicContact CD1-CG 4.07Å; L261-F287 HydrophobicContact CD1-CZ 3.74Å; L261-F287 HydrophobicContact CD2-CE1 4.29Å
262	T	98.8	Very high	98.1	Very high	43 Å²	43	32.7 Å²	32.7	26%	0.264	19%	0.19	S	C	.	.	H	α-helix	trans	-60.6	-47.6	173	-63.6	0	0	0	0	110.8	D258 S260 L264 G265 L266 V289	D258-T262 VanDerWaalsContact O-CB 3.26Å; D258-T262 WeakPolarHBondContact O-CB 3.21Å; D258-T262 PolarHBondContact O-N 3.03Å; D258-T262 PolarHBondContact O-OG1 3.42Å; S260-T262 VanDerWaalsContact C-N 3.3Å; S260-T262 PolarHBondContact O-N 3.2Å; T262-L264 VanDerWaalsContact C-N 3.34Å; T262-L264 PolarHBondContact O-N 2.81Å; T262-G265 PolarHBondContact O-N 2.81Å; T262-L266 HydrophobicContact CG2-CD1 3.88Å; T262-L266 HydrophobicContact CG2-CG 4.45Å; T262-L266 WeakPolarHBondContact O-CB 3.33Å; T262-L266 VanDerWaalsContact O-CG 3.27Å; T262-L266 WeakPolarHBondContact O-CG 3.44Å; T262-L266 PolarHBondContact O-N 3.28Å; T262-V289 HydrophobicContact CG2-CG1 4.21Å
263	A	98.8	Very high	98.2	Very high	8 Å²	8	33.6 Å²	33.6	7%	0.066	19%	0.192	C	C	.	.	H	α-helix	trans	-64.4	-37.6	178.4	0	0	0	0	0	112.9	V236 C239 A259 S260 L266 N267	V236-A263 HydrophobicContact CB-CB 4.18Å; V236-A263 HydrophobicContact CG1-CB 4.25Å; V236-A263 HydrophobicContact CG2-CB 3.76Å; C239-A263 HydrophobicContact CB-CB 4.23Å; A259-A263 PolarHBondContact O-N 3.22Å; S260-A263 PolarHBondContact O-N 3.37Å; A263-L266 PolarHBondContact O-N 2.84Å; A263-N267 WeakPolarHBondContact O-CB 3.41Å; A263-N267 PolarHBondContact O-N 3.42Å; A263-N267 VanDerWaalsContact O-N 3.1Å; A263-N267 PolarHBondContact O-ND2 3.2Å
264	L	98.6	Very high	98.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.9	-52.7	172.8	-77.5	163.6	0	0	0	111.2	C239 L248 S260 L261 T262 L266 N267 C268 L274 L290	C239-L264 WeakPolarHBondContact SG-CD2 3.32Å; L248-L264 HydrophobicContact CD2-CD1 3.49Å; L248-L264 VanDerWaalsContact CD2-CD1 3.49Å; L248-L264 HydrophobicContact CD2-CD2 3.44Å; L248-L264 VanDerWaalsContact CD2-CD2 3.44Å; L248-L264 HydrophobicContact CD2-CG 4.05Å; S260-L264 WeakPolarHBondContact O-CG 3.42Å; S260-L264 PolarHBondContact O-N 3.16Å; L261-L264 HydrophobicContact CD2-CD1 4.22Å; L261-L264 PolarHBondContact O-N 3.36Å; T262-L264 VanDerWaalsContact C-N 3.34Å; T262-L264 PolarHBondContact O-N 2.81Å; L264-L266 VanDerWaalsContact C-N 3.29Å; L264-L266 PolarHBondContact O-N 3.39Å; L264-N267 PolarHBondContact O-N 3.43Å; L264-C268 HydrophobicContact CD2-CB 4.47Å; L264-C268 WeakPolarHBondContact O-CA 3.47Å; L264-C268 WeakPolarHBondContact O-CB 3.2Å; L264-C268 PolarHBondContact O-N 2.94Å; L264-L274 HydrophobicContact CD1-CD1 4.35Å; L264-L290 HydrophobicContact CB-CD1 3.67Å; L264-L290 HydrophobicContact CD1-CD1 4.41Å
265	G	98.5	Very high	98.5	Very high	2 Å²	2	34.3 Å²	34.3	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-55.1	-45.5	178.1	0	0	0	0	0	112.1	L261 T262 N267 N293	L261-G265 PolarHBondContact O-N 3.4Å; T262-G265 PolarHBondContact O-N 2.81Å; G265-N267 PolarHBondContact O-N 3.5Å; G265-N293 WeakPolarHBondContact O-CB 3.45Å
266	L	98.6	Very high	98.6	Very high	112 Å²	112	30.6 Å²	30.6	59%	0.586	17%	0.17	S	C	*	.	H	α-helix	trans	-74.6	-22.3	-175.9	-66.1	176.6	0	0	0	114.7	T262 A263 L264	T262-L266 HydrophobicContact CG2-CD1 3.88Å; T262-L266 HydrophobicContact CG2-CG 4.45Å; T262-L266 WeakPolarHBondContact O-CB 3.33Å; T262-L266 VanDerWaalsContact O-CG 3.27Å; T262-L266 WeakPolarHBondContact O-CG 3.44Å; T262-L266 PolarHBondContact O-N 3.28Å; A263-L266 PolarHBondContact O-N 2.84Å; L264-L266 VanDerWaalsContact C-N 3.29Å; L264-L266 PolarHBondContact O-N 3.39Å
267	N	98.6	Very high	98.6	Very high	40 Å²	40	31 Å²	31	21%	0.214	17%	0.173	C	C	.	.	H	α-helix	trans	-123.9	-14.2	-169.5	-61.3	-88.6	0	0	0	114.9	C239 H243 A263 L264 G265 P269	C239-N267 HydrophobicContact CB-CB 4.16Å; C239-N267 WeakPolarHBondContact O-CB 3.43Å; H243-N267 WeakPolarHBondContact CA-O 3.18Å; H243-N267 PolarHBondContact ND1-O 3.26Å; A263-N267 WeakPolarHBondContact O-CB 3.41Å; A263-N267 PolarHBondContact O-N 3.42Å; A263-N267 VanDerWaalsContact O-N 3.1Å; A263-N267 PolarHBondContact O-ND2 3.2Å; L264-N267 PolarHBondContact O-N 3.43Å; G265-N267 PolarHBondContact O-N 3.5Å; N267-P269 VanDerWaalsContact C-CD 3.48Å; N267-P269 WeakPolarHBondContact O-CD 3.21Å
268	C	98.5	Very high	98.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.179	C	C	.	.			trans	-125.3	66.1	-173.6	-56.2	0	0	0	0	111.8	L245 L264 Q270 L271 C294	L245-C268 HydrophobicContact CB-CB 4.34Å; L264-C268 HydrophobicContact CD2-CB 4.47Å; L264-C268 WeakPolarHBondContact O-CA 3.47Å; L264-C268 WeakPolarHBondContact O-CB 3.2Å; L264-C268 PolarHBondContact O-N 2.94Å; C268-Q270 PolarHBondContact O-N 3.48Å; C268-Q270 VanDerWaalsContact O-N 3.12Å; C268-L271 WeakPolarHBondContact O-CB 3.33Å; C268-L271 PolarHBondContact O-N 3.31Å; C268-C294 PolarHBondContact O-SG 3.1Å; C268-C294 VanDerWaalsContact O-SG 3.36Å
269	P	98.1	Very high	98.6	Very high	71 Å²	71	32.5 Å²	32.5	46%	0.461	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.9	-175.8	28.7	-36.4	0	0	0	113.8	N267 L271	N267-P269 VanDerWaalsContact C-CD 3.48Å; N267-P269 WeakPolarHBondContact O-CD 3.21Å; P269-L271 VanDerWaalsContact C-N 3.32Å
270	Q	98.4	Very high	98.4	Very high	88 Å²	88	32.5 Å²	32.5	41%	0.411	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	8.6	178.4	-59.2	-174	7.5	0	0	113.3	L245 Q246 C268 K272	L245-Q270 CarbonylContact O-C 3.34Å; Q246-Q270 HydrophobicContact CG-CB 4.25Å; C268-Q270 PolarHBondContact O-N 3.48Å; C268-Q270 VanDerWaalsContact O-N 3.12Å; Q270-K272 WeakPolarHBondContact O-CG 3.44Å; Q270-K272 PolarHBondContact O-N 3.12Å
271	L	98.8	Very high	98.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.			trans	-62.9	127.2	-178.1	-166.5	69.8	0	0	0	110.8	L245 L248 C268 P269 L274 L290 C294 E296 L297	L245-L271 PolarHBondContact O-N 3.23Å; L248-L271 HydrophobicContact CB-CD1 4.2Å; C268-L271 WeakPolarHBondContact O-CB 3.33Å; C268-L271 PolarHBondContact O-N 3.31Å; P269-L271 VanDerWaalsContact C-N 3.32Å; L271-L274 HydrophobicContact CD2-CB 4.34Å; L271-L290 HydrophobicContact CD2-CD1 4.08Å; L271-C294 HydrophobicContact CB-CB 4.37Å; L271-E296 CarbonylContact O-C 3.48Å; L271-E296 VanDerWaalsContact O-C 3.23Å; L271-L297 HydrophobicContact CB-CD2 4.47Å; L271-L297 HydrophobicContact CD2-CD2 4.13Å; L271-L297 HydrophobicContact CG-CD2 4.08Å; L271-L297 PolarHBondContact O-N 2.87Å
272	K	98.8	Very high	98.4	Very high	63 Å²	63	36.6 Å²	36.6	27%	0.274	19%	0.19	S	C	.	.			trans	-115.6	-39.4	-178.6	-60.7	-174.9	176.2	-175.2	0	112.8	Q246 Q270 E296 E298 K299	Q246-K272 HydrophobicContact CB-CG 4.45Å; Q246-K272 WeakPolarHBondContact O-CA 3.39Å; Q246-K272 PolarHBondContact O-N 2.65Å; Q270-K272 WeakPolarHBondContact O-CG 3.44Å; Q270-K272 PolarHBondContact O-N 3.12Å; K272-E296 WeakPolarHBondContact CA-O 3.48Å; K272-E296 HydrophobicContact CG-CB 4.4Å; K272-E298 HydrophobicContact CB-CG 4.49Å; K272-E298 PolarHBondContact O-N 3.43Å; K272-K299 PolarHBondContact O-N 3.14Å
273	I	98.9	Very high	98.4	Very high	30 Å²	30	36.2 Å²	36.2	15%	0.154	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.2	-175.9	-55.7	-177.4	0	0	0	108.6	Q246 I247 L248 E275 K299	Q246-I273 PolarHBondContact O-N 3.14Å; I247-I273 WeakPolarHBondContact CA-O 3.39Å; I247-I273 HydrophobicContact CB-CB 4.35Å; I247-I273 HydrophobicContact CD1-CD1 4.03Å; I247-I273 HydrophobicContact CG1-CB 4.09Å; I247-I273 HydrophobicContact CG1-CD1 4.06Å; I247-I273 HydrophobicContact CG1-CG1 4.21Å; I247-I273 HydrophobicContact CG2-CB 4.08Å; I247-I273 HydrophobicContact CG2-CG2 4.23Å; L248-I273 PolarHBondContact N-O 2.68Å; I273-E275 HydrophobicContact CG2-CG 4.22Å; I273-K299 WeakPolarHBondContact CA-O 3.19Å; I273-K299 HydrophobicContact CD1-CD 4.19Å; I273-K299 HydrophobicContact CG1-CB 4.11Å; I273-K299 HydrophobicContact CG1-CD 4.45Å; I273-K299 HydrophobicContact CG1-CG 4.35Å; I273-K299 HydrophobicContact CG2-CB 4.21Å
274	L	98.9	Very high	98.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	115.1	172.1	178	61.6	0	0	0	109.5	L248 I250 L261 L264 L271 A276 F287 L290 K299 M300 D301	L248-L274 HydrophobicContact CB-CD1 4.31Å; L248-L274 HydrophobicContact CD2-CD1 4.09Å; L248-L274 HydrophobicContact CG-CD1 4.22Å; L248-L274 WeakPolarHBondContact O-CA 3.32Å; I250-L274 HydrophobicContact CG1-CD1 4.47Å; L261-L274 HydrophobicContact CD2-CD2 4.06Å; L264-L274 HydrophobicContact CD1-CD1 4.35Å; L271-L274 HydrophobicContact CD2-CB 4.34Å; L274-A276 HydrophobicContact CG-CB 4.42Å; L274-F287 HydrophobicContact CD2-CE1 4.24Å; L274-L290 HydrophobicContact CD2-CD1 4.28Å; L274-L290 HydrophobicContact CD2-CD2 3.69Å; L274-K299 PolarHBondContact N-O 3.45Å; L274-M300 HydrophobicContact CB-CG 4.47Å; L274-M300 HydrophobicContact CD2-CE 4.44Å; L274-M300 VanDerWaalsContact O-CA 3.3Å; L274-M300 WeakPolarHBondContact O-CA 3.43Å; L274-D301 PolarHBondContact O-N 2.81Å
275	E	98.9	Very high	98.4	Very high	67 Å²	67	41.4 Å²	41.4	31%	0.313	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	105.1	173.1	-63.6	172.7	-174.4	0	0	108.9	L248 C249 I250 S251 I273 D301	L248-E275 PolarHBondContact O-N 3.44Å; C249-E275 WeakPolarHBondContact CA-O 3.37Å; C249-E275 HydrophobicContact CB-CB 3.93Å; C249-E275 WeakPolarHBondContact CB-OE2 3.4Å; C249-E275 PolarHBondContact SG-OE2 3.37Å; I250-E275 PolarHBondContact N-O 3.27Å; S251-E275 PolarHBondContact N-O 3.06Å; S251-E275 VanDerWaalsContact OG-C 3.25Å; S251-E275 PolarHBondContact OG-O 2.86Å; S251-E275 VanDerWaalsContact OG-O 3.1Å; I273-E275 HydrophobicContact CG2-CG 4.22Å; E275-D301 HydrophobicContact CB-CB 4.34Å; E275-D301 HydrophobicContact CG-CB 4.19Å
276	A	98.4	Very high	98.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.			trans	-122.1	25	-175.4	0	0	0	0	0	112.7	I250 L274 R278 C279 D301 L302 C305	I250-A276 HydrophobicContact CD1-CB 4.17Å; I250-A276 HydrophobicContact CG1-CB 4.11Å; L274-A276 HydrophobicContact CG-CB 4.42Å; A276-R278 PolarHBondContact O-N 3.34Å; A276-C279 HydrophobicContact CB-CB 4.5Å; A276-C279 VanDerWaalsContact O-CB 3.26Å; A276-C279 WeakPolarHBondContact O-CB 3.47Å; A276-C279 PolarHBondContact O-N 3.18Å; A276-C279 VanDerWaalsContact O-N 3.12Å; A276-C279 PolarHBondContact O-SG 3.26Å; A276-D301 CarbonylContact C-O 3.5Å; A276-D301 PolarHBondContact N-O 3.32Å; A276-L302 HydrophobicContact CB-CD2 4.4Å; A276-C305 PolarHBondContact O-SG 3.32Å; A276-C305 VanDerWaalsContact O-SG 3.34Å
277	A	98.6	Very high	98.4	Very high	7 Å²	7	36 Å²	36	6%	0.058	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	137.2	179	0	0	0	0	0	111.6	S251 G252 C279 D301 E303	S251-A277 CarbonylContact C-O 3.54Å; S251-A277 WeakPolarHBondContact CA-O 3.38Å; S251-A277 WeakPolarHBondContact CB-O 3.46Å; S251-A277 PolarHBondContact OG-N 3.45Å; S251-A277 VanDerWaalsContact OG-N 3.15Å; G252-A277 PolarHBondContact N-O 3.49Å; A277-C279 PolarHBondContact O-N 3.09Å; A277-D301 PolarHBondContact N-O 3.17Å; A277-E303 CarbonylContact C-O 3.59Å; A277-E303 WeakPolarHBondContact CA-O 3.49Å; A277-E303 HydrophobicContact CB-CB 3.88Å
278	R	98	Very high	98.4	Very high	106 Å²	106	35.1 Å²	35.1	40%	0.4	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	21	-178.3	-51.5	-178.5	-69.7	-164.5	-2.9	114.7	A276 S280 E303 E304	A276-R278 PolarHBondContact O-N 3.34Å; R278-S280 PolarHBondContact O-N 3.41Å; R278-E303 PolarHBondContact N-O 3.17Å; R278-E304 HydrophobicContact CG-CB 3.93Å; R278-E304 HydrophobicContact CG-CG 4.27Å; R278-E304 WeakPolarHBondContact CG-OE2 3.32Å
279	C	97.6	Very high	98.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.			trans	-86.4	79.7	163.2	-68.3	0	0	0	0	108.8	I250 C253 A276 A277 L281 V282	I250-C279 PolarHBondContact O-SG 2.79Å; I250-C279 VanDerWaalsContact O-SG 3.38Å; C253-C279 PolarHBondContact O-SG 3.33Å; C253-C279 VanDerWaalsContact O-SG 3.35Å; A276-C279 HydrophobicContact CB-CB 4.5Å; A276-C279 VanDerWaalsContact O-CB 3.26Å; A276-C279 WeakPolarHBondContact O-CB 3.47Å; A276-C279 PolarHBondContact O-N 3.18Å; A276-C279 VanDerWaalsContact O-N 3.12Å; A276-C279 PolarHBondContact O-SG 3.26Å; A277-C279 PolarHBondContact O-N 3.09Å; C279-L281 PolarHBondContact O-N 3.37Å; C279-V282 HydrophobicContact CB-CG1 4.09Å; C279-V282 HydrophobicContact CB-CG2 4.46Å; C279-V282 WeakPolarHBondContact O-CG2 3.49Å; C279-V282 PolarHBondContact O-N 3.19Å
280	S	96.1	Very high	98.5	Very high	46 Å²	46	33.6 Å²	33.6	32%	0.322	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-8.9	-170.4	55.6	0	0	0	0	115.6	R278 L307	R278-S280 PolarHBondContact O-N 3.41Å; S280-L307 WeakPolarHBondContact O-CD1 3.41Å
281	L	98.1	Very high	98.5	Very high	85 Å²	85	29.4 Å²	29.4	45%	0.445	16%	0.155	S	C	.	.	B	Isolated β-bridge	trans	-96.7	-3.2	-178.8	-59.6	178.5	0	0	0	114	S254 T257 C279	S254-L281 WeakPolarHBondContact O-CD1 3.06Å; T257-L281 HydrophobicContact CG2-CB 4.06Å; T257-L281 HydrophobicContact CG2-CD1 4.15Å; C279-L281 PolarHBondContact O-N 3.37Å
282	V	98.4	Very high	98.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.			trans	-82.4	144.6	175.2	-54.4	0	0	0	0	110.3	V256 L261 C279 F287 C305	V256-V282 HydrophobicContact CG1-CG1 4.49Å; L261-V282 HydrophobicContact CD1-CB 3.75Å; L261-V282 HydrophobicContact CD1-CG1 3.91Å; L261-V282 HydrophobicContact CD1-CG2 4.39Å; L261-V282 HydrophobicContact CG-CG1 4.24Å; C279-V282 HydrophobicContact CB-CG1 4.09Å; C279-V282 HydrophobicContact CB-CG2 4.46Å; C279-V282 WeakPolarHBondContact O-CG2 3.49Å; C279-V282 PolarHBondContact O-N 3.19Å; V282-F287 HydrophobicContact CB-CE2 4.26Å; V282-F287 HydrophobicContact CG2-CE2 3.58Å; V282-F287 HydrophobicContact CG2-CZ 3.82Å; V282-C305 HydrophobicContact CG2-CB 4.19Å
283	T	98.8	Very high	98.4	Very high	35 Å²	35	35.9 Å²	35.9	22%	0.215	18%	0.182	C	C	.	.			trans	-130.7	179.2	-176.4	82.2	0	0	0	0	111.1	D258 V285 G286 F287 L307	D258-T283 PolarHBondContact OD1-N 3.17Å; D258-T283 PolarHBondContact OD2-OG1 3.25Å; T283-V285 PolarHBondContact O-N 3.09Å; T283-V285 VanDerWaalsContact O-N 3.12Å; T283-V285 PolarHBondContact OG1-N 2.54Å; T283-G286 PolarHBondContact O-N 2.97Å; T283-F287 WeakPolarHBondContact O-CD2 3.45Å; T283-F287 PolarHBondContact O-N 2.95Å; T283-L307 HydrophobicContact CG2-CB 4.11Å; T283-L307 HydrophobicContact CG2-CD1 3.92Å
284	D	98.8	Very high	98.4	Very high	23 Å²	23	34.4 Å²	34.4	12%	0.123	18%	0.175	C	C	.	.	H	α-helix	trans	-58.1	-24.1	174.9	-54.5	-60	0	0	0	113.6	T288 T309 N311 T312	D284-T288 VanDerWaalsContact O-CB 3.29Å; D284-T288 WeakPolarHBondContact O-CB 3.48Å; D284-T288 PolarHBondContact O-N 2.62Å; D284-T288 PolarHBondContact O-OG1 3.3Å; D284-T309 VanDerWaalsContact CG-OG1 3.27Å; D284-T309 PolarHBondContact OD1-N 3.15Å; D284-T309 PolarHBondContact OD1-OG1 3.32Å; D284-T309 WeakPolarHBondContact OD2-CB 3.44Å; D284-T309 WeakPolarHBondContact OD2-CG2 3.37Å; D284-T309 PolarHBondContact OD2-OG1 2.82Å; D284-N311 HydrophobicContact CB-CB 4.21Å; D284-N311 WeakPolarHBondContact CB-ND2 3.2Å; D284-T312 WeakPolarHBondContact CA-OG1 3.5Å; D284-T312 WeakPolarHBondContact OD1-CB 3.11Å; D284-T312 PolarHBondContact OD1-N 3.4Å; D284-T312 VanDerWaalsContact OD1-N 3.12Å; D284-T312 PolarHBondContact OD1-OG1 3.27Å
285	V	98.7	Very high	98.4	Very high	94 Å²	94	38.5 Å²	38.5	57%	0.57	19%	0.194	S	C	*	.	H	α-helix	trans	-63.9	-49.8	179.8	176.9	0	0	0	0	110.6	T283 T288 V289	T283-V285 PolarHBondContact O-N 3.09Å; T283-V285 VanDerWaalsContact O-N 3.12Å; T283-V285 PolarHBondContact OG1-N 2.54Å; V285-T288 PolarHBondContact O-N 3.31Å; V285-V289 PolarHBondContact O-N 3.22Å
286	G	98.6	Very high	98.4	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-45.3	178.5	0	0	0	0	0	111.9	D258 T283 T288 V289 L290	D258-G286 VanDerWaalsContact CG-N 3.32Å; D258-G286 WeakPolarHBondContact OD1-CA 3.42Å; D258-G286 PolarHBondContact OD1-N 2.94Å; D258-G286 VanDerWaalsContact OD1-N 3.16Å; T283-G286 PolarHBondContact O-N 2.97Å; G286-T288 VanDerWaalsContact C-N 3.32Å; G286-T288 PolarHBondContact O-N 2.86Å; G286-V289 PolarHBondContact O-N 3.46Å; G286-L290 PolarHBondContact O-N 2.94Å
287	F	98.7	Very high	98.4	Very high	1 Å²	1	38 Å²	38	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-66.5	-31.8	178.2	-71.3	-60.8	0	0	0	113.6	L261 L274 V282 T283 V289 L290 A291 M300 L302 V308 T312	L261-F287 HydrophobicContact CD1-CD1 3.89Å; L261-F287 HydrophobicContact CD1-CD2 4.13Å; L261-F287 HydrophobicContact CD1-CE1 3.71Å; L261-F287 HydrophobicContact CD1-CE2 3.98Å; L261-F287 HydrophobicContact CD1-CG 4.07Å; L261-F287 HydrophobicContact CD1-CZ 3.74Å; L261-F287 HydrophobicContact CD2-CE1 4.29Å; L274-F287 HydrophobicContact CD2-CE1 4.24Å; V282-F287 HydrophobicContact CB-CE2 4.26Å; V282-F287 HydrophobicContact CG2-CE2 3.58Å; V282-F287 HydrophobicContact CG2-CZ 3.82Å; T283-F287 WeakPolarHBondContact O-CD2 3.45Å; T283-F287 PolarHBondContact O-N 2.95Å; F287-V289 VanDerWaalsContact C-N 3.33Å; F287-V289 PolarHBondContact O-N 2.92Å; F287-L290 HydrophobicContact CD1-CD2 4.06Å; F287-L290 PolarHBondContact O-N 3.35Å; F287-A291 VanDerWaalsContact O-CB 3.24Å; F287-A291 WeakPolarHBondContact O-CB 3.3Å; F287-A291 PolarHBondContact O-N 3.38Å; F287-M300 HydrophobicContact CD1-CE 3.75Å; F287-M300 HydrophobicContact CE1-CE 3.71Å; F287-L302 HydrophobicContact CE1-CD1 4.23Å; F287-L302 HydrophobicContact CE1-CD2 3.62Å; F287-L302 HydrophobicContact CE2-CD1 4.21Å; F287-L302 HydrophobicContact CE2-CD2 4.36Å; F287-L302 HydrophobicContact CZ-CD1 3.97Å; F287-L302 HydrophobicContact CZ-CD2 3.41Å; F287-L302 VanDerWaalsContact CZ-CD2 3.41Å; F287-L302 HydrophobicContact CZ-CG 4.3Å; F287-V308 HydrophobicContact CD2-CG2 3.95Å; F287-V308 HydrophobicContact CE2-CG2 3.54Å; F287-T312 HydrophobicContact CB-CG2 3.82Å; F287-T312 HydrophobicContact CD2-CG2 4.01Å; F287-T312 HydrophobicContact CG-CG2 3.92Å
288	T	98.8	Very high	98.4	Very high	21 Å²	21	39.8 Å²	39.8	13%	0.129	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-45.8	173.6	-62.1	0	0	0	0	111	D284 V285 G286 R292 Q315	D284-T288 VanDerWaalsContact O-CB 3.29Å; D284-T288 WeakPolarHBondContact O-CB 3.48Å; D284-T288 PolarHBondContact O-N 2.62Å; D284-T288 PolarHBondContact O-OG1 3.3Å; V285-T288 PolarHBondContact O-N 3.31Å; G286-T288 VanDerWaalsContact C-N 3.32Å; G286-T288 PolarHBondContact O-N 2.86Å; T288-R292 WeakPolarHBondContact O-CB 3.41Å; T288-R292 VanDerWaalsContact O-CG 3.25Å; T288-R292 WeakPolarHBondContact O-CG 3.43Å; T288-R292 PolarHBondContact O-N 3.07Å; T288-Q315 HydrophobicContact CG2-CG 3.98Å
289	V	98.8	Very high	98.4	Very high	40 Å²	40	39.4 Å²	39.4	24%	0.242	20%	0.2	C	C	.	.	H	α-helix	trans	-68.5	-43.3	178.3	-179.4	0	0	0	0	111	T262 V285 G286 F287 R292 N293	T262-V289 HydrophobicContact CG2-CG1 4.21Å; V285-V289 PolarHBondContact O-N 3.22Å; G286-V289 PolarHBondContact O-N 3.46Å; F287-V289 VanDerWaalsContact C-N 3.33Å; F287-V289 PolarHBondContact O-N 2.92Å; V289-R292 PolarHBondContact O-N 3.28Å; V289-N293 PolarHBondContact O-ND2 3.38Å
290	L	98.8	Very high	98.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-56.9	-55.2	177.1	-172.4	96.9	0	0	0	111.1	L264 L271 L274 G286 F287 R292 N293 C294 L297 M300	L264-L290 HydrophobicContact CB-CD1 3.67Å; L264-L290 HydrophobicContact CD1-CD1 4.41Å; L271-L290 HydrophobicContact CD2-CD1 4.08Å; L274-L290 HydrophobicContact CD2-CD1 4.28Å; L274-L290 HydrophobicContact CD2-CD2 3.69Å; G286-L290 PolarHBondContact O-N 2.94Å; F287-L290 HydrophobicContact CD1-CD2 4.06Å; F287-L290 PolarHBondContact O-N 3.35Å; L290-R292 VanDerWaalsContact C-N 3.29Å; L290-R292 PolarHBondContact O-N 3Å; L290-N293 PolarHBondContact O-N 3.37Å; L290-N293 VanDerWaalsContact O-N 3.12Å; L290-C294 WeakPolarHBondContact O-CB 3.4Å; L290-C294 PolarHBondContact O-N 2.81Å; L290-L297 HydrophobicContact CD2-CD1 3.83Å; L290-L297 HydrophobicContact CG-CD1 4.34Å; L290-M300 HydrophobicContact CD2-CE 4.08Å
291	A	98.6	Very high	98.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57.9	-42.2	-176.7	0	0	0	0	0	111.8	F287 N293 Q315 L316 H319	F287-A291 VanDerWaalsContact O-CB 3.24Å; F287-A291 WeakPolarHBondContact O-CB 3.3Å; F287-A291 PolarHBondContact O-N 3.38Å; A291-N293 PolarHBondContact O-N 2.94Å; A291-Q315 HydrophobicContact CB-CB 4.1Å; A291-L316 HydrophobicContact CB-CD2 3.99Å; A291-H319 HydrophobicContact CB-CB 4.24Å; A291-H319 WeakPolarHBondContact O-CB 3.45Å
292	R	98.6	Very high	98.7	Very high	133 Å²	133	35.3 Å²	35.3	50%	0.502	17%	0.174	S	C	.	.	H	α-helix	trans	-63.9	-19.3	-179.6	-78.1	177.3	-178.4	-173.2	4.3	115	T288 V289 L290 H295	T288-R292 WeakPolarHBondContact O-CB 3.41Å; T288-R292 VanDerWaalsContact O-CG 3.25Å; T288-R292 WeakPolarHBondContact O-CG 3.43Å; T288-R292 PolarHBondContact O-N 3.07Å; V289-R292 PolarHBondContact O-N 3.28Å; L290-R292 VanDerWaalsContact C-N 3.29Å; L290-R292 PolarHBondContact O-N 3Å; R292-H295 PolarHBondContact O-CE1 2.82Å; R292-H295 PolarHBondContact O-NE2 2.92Å
293	N	98.6	Very high	98.7	Very high	65 Å²	65	38.4 Å²	38.4	35%	0.348	19%	0.189	S	C	.	.	H	α-helix	trans	-121.1	-17.6	-175.4	-62.8	-83.3	0	0	0	113.5	G265 V289 L290 A291	G265-N293 WeakPolarHBondContact O-CB 3.45Å; V289-N293 PolarHBondContact O-ND2 3.38Å; L290-N293 PolarHBondContact O-N 3.37Å; L290-N293 VanDerWaalsContact O-N 3.12Å; A291-N293 PolarHBondContact O-N 2.94Å
294	C	98.4	Very high	98.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.195	C	C	.	.			trans	-108.8	74.9	-179.3	-62	0	0	0	0	111.4	C268 L271 L290 E296 L297	C268-C294 PolarHBondContact O-SG 3.1Å; C268-C294 VanDerWaalsContact O-SG 3.36Å; L271-C294 HydrophobicContact CB-CB 4.37Å; L290-C294 WeakPolarHBondContact O-CB 3.4Å; L290-C294 PolarHBondContact O-N 2.81Å; C294-E296 PolarHBondContact O-N 2.81Å; C294-L297 HydrophobicContact CB-CD1 3.77Å; C294-L297 HydrophobicContact CB-CG 3.89Å; C294-L297 WeakPolarHBondContact O-CD1 3.5Å; C294-L297 WeakPolarHBondContact O-CG 3.47Å; C294-L297 PolarHBondContact O-N 3.48Å
295	H	98.4	Very high	98.6	Very high	86 Å²	86	39.2 Å²	39.2	40%	0.398	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-9.8	-177.7	-53	-54.5	0	0	0	114.5	R292 L297 H319	R292-H295 PolarHBondContact O-CE1 2.82Å; R292-H295 PolarHBondContact O-NE2 2.92Å; H295-L297 VanDerWaalsContact C-N 3.34Å; H295-H319 PolarHBondContact ND1-O 3.21Å
296	E	98.5	Very high	98.6	Very high	55 Å²	55	38.7 Å²	38.7	26%	0.257	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	5	179.6	-66.9	-65	141.1	0	0	113	L271 K272 C294 E298 R322	L271-E296 CarbonylContact O-C 3.48Å; L271-E296 VanDerWaalsContact O-C 3.23Å; K272-E296 WeakPolarHBondContact CA-O 3.48Å; K272-E296 HydrophobicContact CG-CB 4.4Å; C294-E296 PolarHBondContact O-N 2.81Å; E296-E298 PolarHBondContact O-N 2.99Å; E296-R322 IonicContact OE1-CZ 3.98Å; E296-R322 IonicContact OE1-NE 2.63Å; E296-R322 PolarHBondContact OE1-NE 2.84Å; E296-R322 IonicContact OE1-NH1 3.37Å; E296-R322 PolarHBondContact OE1-NH1 3.08Å; E296-R322 IonicContact OE1-NH2 2.81Å; E296-R322 WeakPolarHBondContact OE2-CD 3.41Å; E296-R322 IonicContact OE2-CZ 3.81Å; E296-R322 IonicContact OE2-NE 3.2Å; E296-R322 IonicContact OE2-NH1 3.35Å; E296-R322 PolarHBondContact OE2-NH1 2.87Å
297	L	98.7	Very high	98.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.202	C	C	.	.			trans	-60	124.8	178.3	-77.6	168.1	0	0	0	111.4	L271 L290 C294 H295 M300 C320 R322 L323	L271-L297 HydrophobicContact CB-CD2 4.47Å; L271-L297 HydrophobicContact CD2-CD2 4.13Å; L271-L297 HydrophobicContact CG-CD2 4.08Å; L271-L297 PolarHBondContact O-N 2.87Å; L290-L297 HydrophobicContact CD2-CD1 3.83Å; L290-L297 HydrophobicContact CG-CD1 4.34Å; C294-L297 HydrophobicContact CB-CD1 3.77Å; C294-L297 HydrophobicContact CB-CG 3.89Å; C294-L297 WeakPolarHBondContact O-CD1 3.5Å; C294-L297 WeakPolarHBondContact O-CG 3.47Å; C294-L297 PolarHBondContact O-N 3.48Å; H295-L297 VanDerWaalsContact C-N 3.34Å; L297-M300 HydrophobicContact CD1-SD 3.94Å; L297-M300 HydrophobicContact CD2-CG 4.32Å; L297-M300 HydrophobicContact CD2-SD 4.46Å; L297-C320 HydrophobicContact CB-CB 4.43Å; L297-R322 CarbonylContact O-C 3.42Å; L297-L323 WeakPolarHBondContact O-CA 3.32Å; L297-L323 PolarHBondContact O-N 3.34Å; L297-L323 VanDerWaalsContact O-N 3.09Å
298	E	98.7	Very high	98.5	Very high	46 Å²	46	42.3 Å²	42.3	22%	0.215	20%	0.202	C	C	.	.			trans	-115.4	-38.1	-179.4	-67.3	178.2	-158.5	0	0	111.4	K272 E296 R322 Q324 A325	K272-E298 HydrophobicContact CB-CG 4.49Å; K272-E298 PolarHBondContact O-N 3.43Å; E296-E298 PolarHBondContact O-N 2.99Å; E298-R322 HydrophobicContact CG-CB 4.36Å; E298-Q324 WeakPolarHBondContact O-CA 3.49Å; E298-Q324 WeakPolarHBondContact O-CB 3.33Å; E298-Q324 PolarHBondContact O-N 2.97Å; E298-A325 PolarHBondContact O-N 3.48Å; E298-A325 VanDerWaalsContact O-N 3.07Å
299	K	98.9	Very high	98.5	Very high	98 Å²	98	43.4 Å²	43.4	43%	0.426	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	133.1	-178.2	-54.6	-172.2	178.6	179.5	0	111.6	K272 I273 L274 A325	K272-K299 PolarHBondContact O-N 3.14Å; I273-K299 WeakPolarHBondContact CA-O 3.19Å; I273-K299 HydrophobicContact CD1-CD 4.19Å; I273-K299 HydrophobicContact CG1-CB 4.11Å; I273-K299 HydrophobicContact CG1-CD 4.45Å; I273-K299 HydrophobicContact CG1-CG 4.35Å; I273-K299 HydrophobicContact CG2-CB 4.21Å; L274-K299 PolarHBondContact N-O 3.45Å; K299-A325 WeakPolarHBondContact CA-O 3.49Å; K299-A325 HydrophobicContact CB-CB 4.36Å; K299-A325 HydrophobicContact CD-CB 4.38Å; K299-A325 HydrophobicContact CG-CB 4Å
300	M	98.8	Very high	98.5	Very high	5 Å²	5	43 Å²	43	3%	0.025	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	127.6	174	-70	-179.4	65.5	0	0	110.1	L274 F287 L290 L297 L302 L316 L323 A325 L326 S327	L274-M300 HydrophobicContact CB-CG 4.47Å; L274-M300 HydrophobicContact CD2-CE 4.44Å; L274-M300 VanDerWaalsContact O-CA 3.3Å; L274-M300 WeakPolarHBondContact O-CA 3.43Å; F287-M300 HydrophobicContact CD1-CE 3.75Å; F287-M300 HydrophobicContact CE1-CE 3.71Å; L290-M300 HydrophobicContact CD2-CE 4.08Å; L297-M300 HydrophobicContact CD1-SD 3.94Å; L297-M300 HydrophobicContact CD2-CG 4.32Å; L297-M300 HydrophobicContact CD2-SD 4.46Å; M300-L302 HydrophobicContact CE-CD1 4.1Å; M300-L302 HydrophobicContact CE-CD2 3.93Å; M300-L302 HydrophobicContact CE-CG 4.37Å; M300-L316 HydrophobicContact CE-CD1 4.25Å; M300-L316 HydrophobicContact CE-CD2 4.13Å; M300-L316 HydrophobicContact SD-CD1 4.02Å; M300-L316 HydrophobicContact SD-CD2 3.55Å; M300-L316 VanDerWaalsContact SD-CD2 3.55Å; M300-L316 HydrophobicContact SD-CG 4.47Å; M300-L323 HydrophobicContact CG-CD1 4.27Å; M300-L323 HydrophobicContact SD-CD1 4.46Å; M300-A325 PolarHBondContact N-O 3.48Å; M300-L326 HydrophobicContact CB-CD1 3.73Å; M300-L326 WeakPolarHBondContact O-CA 3.44Å; M300-S327 PolarHBondContact O-N 3.36Å
301	D	98.8	Very high	98.5	Very high	39 Å²	39	46.2 Å²	46.2	21%	0.209	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	109.9	170.8	174.8	11.4	0	0	0	108.6	L274 E275 A276 A277 E303	L274-D301 PolarHBondContact O-N 2.81Å; E275-D301 HydrophobicContact CB-CB 4.34Å; E275-D301 HydrophobicContact CG-CB 4.19Å; A276-D301 CarbonylContact C-O 3.5Å; A276-D301 PolarHBondContact N-O 3.32Å; A277-D301 PolarHBondContact N-O 3.17Å; D301-E303 WeakPolarHBondContact OD1-CB 3.23Å; D301-E303 PolarHBondContact OD1-N 2.8Å; D301-E303 VanDerWaalsContact OD1-N 3.07Å
302	L	98.6	Very high	98.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.222	C	C	.	.			trans	-115.5	23.3	-178	-50.5	-173	0	0	0	111.4	A276 F287 M300 E304 C305 T312 L326 S327 L328 C331	A276-L302 HydrophobicContact CB-CD2 4.4Å; F287-L302 HydrophobicContact CE1-CD1 4.23Å; F287-L302 HydrophobicContact CE1-CD2 3.62Å; F287-L302 HydrophobicContact CE2-CD1 4.21Å; F287-L302 HydrophobicContact CE2-CD2 4.36Å; F287-L302 HydrophobicContact CZ-CD1 3.97Å; F287-L302 HydrophobicContact CZ-CD2 3.41Å; F287-L302 VanDerWaalsContact CZ-CD2 3.41Å; F287-L302 HydrophobicContact CZ-CG 4.3Å; M300-L302 HydrophobicContact CE-CD1 4.1Å; M300-L302 HydrophobicContact CE-CD2 3.93Å; M300-L302 HydrophobicContact CE-CG 4.37Å; L302-E304 PolarHBondContact O-N 3.48Å; L302-C305 HydrophobicContact CB-CB 4.23Å; L302-C305 VanDerWaalsContact O-CB 3.23Å; L302-C305 WeakPolarHBondContact O-CB 3.38Å; L302-C305 PolarHBondContact O-N 2.79Å; L302-T312 HydrophobicContact CD1-CG2 4.3Å; L302-L326 HydrophobicContact CD1-CD1 4.45Å; L302-S327 WeakPolarHBondContact CB-O 3.49Å; L302-S327 PolarHBondContact N-O 2.99Å; L302-L328 HydrophobicContact CB-CD2 4.31Å; L302-L328 HydrophobicContact CD1-CD2 4.02Å; L302-C331 PolarHBondContact O-SG 3.21Å
303	E	98.6	Very high	98.6	Very high	65 Å²	65	39.9 Å²	39.9	30%	0.304	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	134.2	179.8	177	-178.1	155.1	0	0	111.4	A277 R278 D301 C305 S329	A277-E303 CarbonylContact C-O 3.59Å; A277-E303 WeakPolarHBondContact CA-O 3.49Å; A277-E303 HydrophobicContact CB-CB 3.88Å; R278-E303 PolarHBondContact N-O 3.17Å; D301-E303 WeakPolarHBondContact OD1-CB 3.23Å; D301-E303 PolarHBondContact OD1-N 2.8Å; D301-E303 VanDerWaalsContact OD1-N 3.07Å; E303-C305 PolarHBondContact O-N 2.85Å; E303-C305 VanDerWaalsContact O-N 3.15Å; E303-S329 CarbonylContact C-O 3.33Å; E303-S329 WeakPolarHBondContact CA-O 3.31Å
304	E	98.1	Very high	98.6	Very high	75 Å²	75	39.1 Å²	39.1	35%	0.35	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	21.1	-176.5	-65.4	-177.8	-143.5	0	0	115	R278 L302 I306 S329 H330	R278-E304 HydrophobicContact CG-CB 3.93Å; R278-E304 HydrophobicContact CG-CG 4.27Å; R278-E304 WeakPolarHBondContact CG-OE2 3.32Å; L302-E304 PolarHBondContact O-N 3.48Å; E304-I306 PolarHBondContact O-N 2.74Å; E304-S329 PolarHBondContact N-O 3.48Å; E304-H330 HydrophobicContact CB-CB 4.43Å; E304-H330 HydrophobicContact CG-CB 3.74Å
305	C	98.2	Very high	98.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.			trans	-80	71.9	163.7	-69.6	0	0	0	0	110	A276 V282 L302 E303 L307 V308 C331	A276-C305 PolarHBondContact O-SG 3.32Å; A276-C305 VanDerWaalsContact O-SG 3.34Å; V282-C305 HydrophobicContact CG2-CB 4.19Å; L302-C305 HydrophobicContact CB-CB 4.23Å; L302-C305 VanDerWaalsContact O-CB 3.23Å; L302-C305 WeakPolarHBondContact O-CB 3.38Å; L302-C305 PolarHBondContact O-N 2.79Å; E303-C305 PolarHBondContact O-N 2.85Å; E303-C305 VanDerWaalsContact O-N 3.15Å; C305-L307 PolarHBondContact O-N 3.15Å; C305-V308 HydrophobicContact CB-CB 4.41Å; C305-V308 HydrophobicContact CB-CG2 3.62Å; C305-V308 VanDerWaalsContact O-CB 3.3Å; C305-V308 WeakPolarHBondContact O-CB 3.22Å; C305-V308 WeakPolarHBondContact O-CG2 3.25Å; C305-V308 PolarHBondContact O-N 2.75Å; C305-C331 PolarHBondContact O-SG 3.18Å
306	I	97.8	Very high	98.6	Very high	84 Å²	84	36 Å²	36	43%	0.431	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.4	-167.7	63.9	175	0	0	0	115.9	E304 L333	E304-I306 PolarHBondContact O-N 2.74Å; I306-L333 WeakPolarHBondContact O-CD1 3.12Å
307	L	98.4	Very high	98.6	Very high	77 Å²	77	34.2 Å²	34.2	40%	0.403	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-0.9	178.9	-59.9	177.9	0	0	0	113.2	S280 T283 C305	S280-L307 WeakPolarHBondContact O-CD1 3.41Å; T283-L307 HydrophobicContact CG2-CB 4.11Å; T283-L307 HydrophobicContact CG2-CD1 3.92Å; C305-L307 PolarHBondContact O-N 3.15Å
308	V	98.4	Very high	98.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.			trans	-76.5	131.9	177	172.9	0	0	0	0	109.8	F287 C305 T312 I334	F287-V308 HydrophobicContact CD2-CG2 3.95Å; F287-V308 HydrophobicContact CE2-CG2 3.54Å; C305-V308 HydrophobicContact CB-CB 4.41Å; C305-V308 HydrophobicContact CB-CG2 3.62Å; C305-V308 VanDerWaalsContact O-CB 3.3Å; C305-V308 WeakPolarHBondContact O-CB 3.22Å; C305-V308 WeakPolarHBondContact O-CG2 3.25Å; C305-V308 PolarHBondContact O-N 2.75Å; V308-T312 HydrophobicContact CG1-CG2 3.91Å; V308-I334 HydrophobicContact CG1-CD1 4.22Å
309	T	98.8	Very high	98.6	Very high	44 Å²	44	39.3 Å²	39.3	27%	0.27	20%	0.201	S	C	.	.			trans	-120.4	-179.1	178.7	76.7	0	0	0	0	111.3	D284 N311 T312 L333 I334	D284-T309 VanDerWaalsContact CG-OG1 3.27Å; D284-T309 PolarHBondContact OD1-N 3.15Å; D284-T309 PolarHBondContact OD1-OG1 3.32Å; D284-T309 WeakPolarHBondContact OD2-CB 3.44Å; D284-T309 WeakPolarHBondContact OD2-CG2 3.37Å; D284-T309 PolarHBondContact OD2-OG1 2.82Å; T309-N311 PolarHBondContact O-N 3.01Å; T309-N311 PolarHBondContact OG1-N 3.25Å; T309-T312 PolarHBondContact O-N 3.17Å; T309-L333 HydrophobicContact CG2-CB 4.09Å; T309-L333 HydrophobicContact CG2-CD1 3.9Å; T309-I334 VanDerWaalsContact C-CD1 3.47Å
310	D	98.8	Very high	98.6	Very high	31 Å²	31	34.6 Å²	34.6	17%	0.166	18%	0.18	C	C	.	.	H	α-helix	trans	-54	-24.9	174.9	-66.5	-24.4	0	0	0	113.3	T312 L313 V314 T335 G338	D310-T312 VanDerWaalsContact C-N 3.31Å; D310-T312 PolarHBondContact O-N 3.35Å; D310-L313 PolarHBondContact O-N 3.49Å; D310-L313 VanDerWaalsContact O-N 3.12Å; D310-V314 WeakPolarHBondContact O-CG2 3.44Å; D310-V314 PolarHBondContact O-N 3.36Å; D310-T335 PolarHBondContact OD1-N 3.15Å; D310-T335 WeakPolarHBondContact OD2-CB 3.42Å; D310-T335 PolarHBondContact OD2-OG1 3.35Å; D310-G338 VanDerWaalsContact CG-N 3.32Å; D310-G338 WeakPolarHBondContact OD1-CA 3.34Å; D310-G338 PolarHBondContact OD1-N 3.42Å
311	N	98.8	Very high	98.5	Very high	67 Å²	67	37.1 Å²	37.1	36%	0.358	20%	0.197	S	C	.	.	H	α-helix	trans	-61.5	-38.5	177.3	-178.2	64.3	0	0	0	112.2	D284 T309 L313 V314 Q315	D284-N311 HydrophobicContact CB-CB 4.21Å; D284-N311 WeakPolarHBondContact CB-ND2 3.2Å; T309-N311 PolarHBondContact O-N 3.01Å; T309-N311 PolarHBondContact OG1-N 3.25Å; N311-L313 VanDerWaalsContact C-N 3.32Å; N311-L313 PolarHBondContact O-N 2.94Å; N311-V314 PolarHBondContact O-N 3Å; N311-Q315 WeakPolarHBondContact O-CG 3.15Å; N311-Q315 PolarHBondContact O-N 3.23Å
312	T	98.8	Very high	98.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.8	-46.4	173	-72.2	0	0	0	0	111.1	D284 F287 L302 V308 T309 D310 V314 Q315 L316	D284-T312 WeakPolarHBondContact CA-OG1 3.5Å; D284-T312 WeakPolarHBondContact OD1-CB 3.11Å; D284-T312 PolarHBondContact OD1-N 3.4Å; D284-T312 VanDerWaalsContact OD1-N 3.12Å; D284-T312 PolarHBondContact OD1-OG1 3.27Å; F287-T312 HydrophobicContact CB-CG2 3.82Å; F287-T312 HydrophobicContact CD2-CG2 4.01Å; F287-T312 HydrophobicContact CG-CG2 3.92Å; L302-T312 HydrophobicContact CD1-CG2 4.3Å; V308-T312 HydrophobicContact CG1-CG2 3.91Å; T309-T312 PolarHBondContact O-N 3.17Å; D310-T312 VanDerWaalsContact C-N 3.31Å; D310-T312 PolarHBondContact O-N 3.35Å; T312-V314 VanDerWaalsContact C-N 3.33Å; T312-V314 PolarHBondContact O-N 3.34Å; T312-Q315 PolarHBondContact O-N 3.3Å; T312-L316 HydrophobicContact CG2-CD1 3.98Å; T312-L316 HydrophobicContact CG2-CG 4.38Å; T312-L316 WeakPolarHBondContact O-CG 3.31Å; T312-L316 PolarHBondContact O-N 3.23Å
313	L	98.8	Very high	98.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.3	-39.4	178.5	-57.6	-171.7	0	0	0	112.1	D310 N311 L316 S317 L326 L328 I334 I339	D310-L313 PolarHBondContact O-N 3.49Å; D310-L313 VanDerWaalsContact O-N 3.12Å; N311-L313 VanDerWaalsContact C-N 3.32Å; N311-L313 PolarHBondContact O-N 2.94Å; L313-L316 HydrophobicContact CD2-CD1 4.49Å; L313-L316 PolarHBondContact O-N 3.36Å; L313-S317 WeakPolarHBondContact O-CB 3.41Å; L313-S317 PolarHBondContact O-N 3.03Å; L313-S317 PolarHBondContact O-OG 3.36Å; L313-L326 HydrophobicContact CD2-CD2 3.65Å; L313-L328 HydrophobicContact CD1-CD1 3.86Å; L313-L328 HydrophobicContact CD2-CD1 3.63Å; L313-L328 HydrophobicContact CD2-CD2 4.01Å; L313-L328 HydrophobicContact CD2-CG 4.43Å; L313-L328 HydrophobicContact CG-CD1 4.32Å; L313-I334 HydrophobicContact CD1-CD1 3.94Å; L313-I334 HydrophobicContact CD1-CG2 3.9Å; L313-I334 HydrophobicContact CG-CD1 4.09Å; L313-I339 HydrophobicContact CD1-CD1 3.89Å
314	V	98.8	Very high	98.5	Very high	49 Å²	49	40.1 Å²	40.1	30%	0.297	21%	0.205	S	C	.	.	H	α-helix	trans	-59.2	-48	173.6	172.1	0	0	0	0	110.8	D310 N311 T312 L316 S317 I318 A341	D310-V314 WeakPolarHBondContact O-CG2 3.44Å; D310-V314 PolarHBondContact O-N 3.36Å; N311-V314 PolarHBondContact O-N 3Å; T312-V314 VanDerWaalsContact C-N 3.33Å; T312-V314 PolarHBondContact O-N 3.34Å; V314-L316 PolarHBondContact O-N 3.19Å; V314-S317 PolarHBondContact O-N 2.99Å; V314-S317 PolarHBondContact O-OG 3.12Å; V314-I318 HydrophobicContact CG1-CD1 3.87Å; V314-I318 WeakPolarHBondContact O-CD1 3.42Å; V314-I318 VanDerWaalsContact O-CG1 3.31Å; V314-I318 WeakPolarHBondContact O-CG1 3.12Å; V314-I318 PolarHBondContact O-N 2.8Å; V314-A341 HydrophobicContact CG2-CB 3.83Å
315	Q	98.8	Very high	98.5	Very high	21 Å²	21	37.5 Å²	37.5	10%	0.098	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-40.7	179.9	-61	-55.3	-56.7	0	0	112.4	T288 A291 N311 T312 S317 I318 H319	T288-Q315 HydrophobicContact CG2-CG 3.98Å; A291-Q315 HydrophobicContact CB-CB 4.1Å; N311-Q315 WeakPolarHBondContact O-CG 3.15Å; N311-Q315 PolarHBondContact O-N 3.23Å; T312-Q315 PolarHBondContact O-N 3.3Å; Q315-S317 VanDerWaalsContact C-N 3.34Å; Q315-S317 PolarHBondContact O-N 3.35Å; Q315-I318 PolarHBondContact O-N 2.68Å; Q315-H319 PolarHBondContact O-CD2 2.9Å; Q315-H319 PolarHBondContact O-N 3.15Å
316	L	98.6	Very high	98.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.4	-41.9	174.8	-67.2	176	0	0	0	111.5	A291 M300 T312 L313 V314 I318 H319 C320 L323 L326	A291-L316 HydrophobicContact CB-CD2 3.99Å; M300-L316 HydrophobicContact CE-CD1 4.25Å; M300-L316 HydrophobicContact CE-CD2 4.13Å; M300-L316 HydrophobicContact SD-CD1 4.02Å; M300-L316 HydrophobicContact SD-CD2 3.55Å; M300-L316 VanDerWaalsContact SD-CD2 3.55Å; M300-L316 HydrophobicContact SD-CG 4.47Å; T312-L316 HydrophobicContact CG2-CD1 3.98Å; T312-L316 HydrophobicContact CG2-CG 4.38Å; T312-L316 WeakPolarHBondContact O-CG 3.31Å; T312-L316 PolarHBondContact O-N 3.23Å; L313-L316 HydrophobicContact CD2-CD1 4.49Å; L313-L316 PolarHBondContact O-N 3.36Å; V314-L316 PolarHBondContact O-N 3.19Å; L316-I318 PolarHBondContact O-N 3.47Å; L316-H319 PolarHBondContact O-N 3.39Å; L316-C320 HydrophobicContact CD2-CB 4.4Å; L316-C320 WeakPolarHBondContact O-CB 3.24Å; L316-C320 PolarHBondContact O-N 3.33Å; L316-L323 HydrophobicContact CB-CD2 4.48Å; L316-L326 HydrophobicContact CD1-CD1 4.38Å
317	S	98.3	Very high	98.6	Very high	17 Å²	17	33.9 Å²	33.9	12%	0.119	18%	0.178	C	C	.	.	H	α-helix	trans	-60.4	-31.7	178.4	81.5	0	0	0	0	112.7	L313 V314 Q315 S345	L313-S317 WeakPolarHBondContact O-CB 3.41Å; L313-S317 PolarHBondContact O-N 3.03Å; L313-S317 PolarHBondContact O-OG 3.36Å; V314-S317 PolarHBondContact O-N 2.99Å; V314-S317 PolarHBondContact O-OG 3.12Å; Q315-S317 VanDerWaalsContact C-N 3.34Å; Q315-S317 PolarHBondContact O-N 3.35Å; S317-S345 WeakPolarHBondContact O-CB 3.47Å
318	I	98.5	Very high	98.6	Very high	105 Å²	105	30.2 Å²	30.2	54%	0.538	16%	0.159	S	C	.	.	H	α-helix	trans	-85.3	-43.6	-179.2	-63.8	163.8	0	0	0	111.2	V314 Q315 L316	V314-I318 HydrophobicContact CG1-CD1 3.87Å; V314-I318 WeakPolarHBondContact O-CD1 3.42Å; V314-I318 VanDerWaalsContact O-CG1 3.31Å; V314-I318 WeakPolarHBondContact O-CG1 3.12Å; V314-I318 PolarHBondContact O-N 2.8Å; Q315-I318 PolarHBondContact O-N 2.68Å; L316-I318 PolarHBondContact O-N 3.47Å
319	H	98.6	Very high	98.6	Very high	48 Å²	48	30.4 Å²	30.4	22%	0.222	16%	0.16	C	C	.	.	H	α-helix	trans	-109.3	-10.1	-163.5	-61.2	-68.5	0	0	0	115.2	A291 H295 Q315 L316 P321	A291-H319 HydrophobicContact CB-CB 4.24Å; A291-H319 WeakPolarHBondContact O-CB 3.45Å; H295-H319 PolarHBondContact ND1-O 3.21Å; Q315-H319 PolarHBondContact O-CD2 2.9Å; Q315-H319 PolarHBondContact O-N 3.15Å; L316-H319 PolarHBondContact O-N 3.39Å; H319-P321 VanDerWaalsContact C-CD 3.47Å; H319-P321 WeakPolarHBondContact O-CD 3.36Å
320	C	98.4	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.			trans	-117.9	73.6	-175.2	-58.7	0	0	0	0	111.9	L297 L316 R322 L323 C347	L297-C320 HydrophobicContact CB-CB 4.43Å; L316-C320 HydrophobicContact CD2-CB 4.4Å; L316-C320 WeakPolarHBondContact O-CB 3.24Å; L316-C320 PolarHBondContact O-N 3.33Å; C320-R322 PolarHBondContact O-N 2.68Å; C320-R322 VanDerWaalsContact O-N 3.13Å; C320-L323 HydrophobicContact CB-CB 4.45Å; C320-L323 PolarHBondContact O-N 2.78Å; C320-C347 WeakPolarHBondContact O-CB 3.34Å; C320-C347 PolarHBondContact O-SG 3.17Å; C320-C347 VanDerWaalsContact O-SG 3.4Å
321	P	98	Very high	98.5	Very high	57 Å²	57	29.6 Å²	29.6	37%	0.37	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-11.5	-174.1	29.8	-37.3	0	0	0	114.2	H319 C347	H319-P321 VanDerWaalsContact C-CD 3.47Å; H319-P321 WeakPolarHBondContact O-CD 3.36Å; P321-C347 WeakPolarHBondContact O-CB 3.32Å
322	R	98.2	Very high	98.5	Very high	115 Å²	115	31.7 Å²	31.7	43%	0.434	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	2.8	-178.5	-63.3	-167.5	178.5	-166.7	1.5	114.3	E296 L297 E298 C320 Q324	E296-R322 IonicContact OE1-CZ 3.98Å; E296-R322 IonicContact OE1-NE 2.63Å; E296-R322 PolarHBondContact OE1-NE 2.84Å; E296-R322 IonicContact OE1-NH1 3.37Å; E296-R322 PolarHBondContact OE1-NH1 3.08Å; E296-R322 IonicContact OE1-NH2 2.81Å; E296-R322 WeakPolarHBondContact OE2-CD 3.41Å; E296-R322 IonicContact OE2-CZ 3.81Å; E296-R322 IonicContact OE2-NE 3.2Å; E296-R322 IonicContact OE2-NH1 3.35Å; E296-R322 PolarHBondContact OE2-NH1 2.87Å; L297-R322 CarbonylContact O-C 3.42Å; E298-R322 HydrophobicContact CG-CB 4.36Å; C320-R322 PolarHBondContact O-N 2.68Å; C320-R322 VanDerWaalsContact O-N 3.13Å; R322-Q324 WeakPolarHBondContact O-CG 3.48Å; R322-Q324 PolarHBondContact O-N 3.41Å
323	L	98.6	Very high	98.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.			trans	-62	130.2	-176.6	-166.7	67.2	0	0	0	110.9	L297 M300 L316 C320 L326 L342 C347 R351	L297-L323 WeakPolarHBondContact O-CA 3.32Å; L297-L323 PolarHBondContact O-N 3.34Å; L297-L323 VanDerWaalsContact O-N 3.09Å; M300-L323 HydrophobicContact CG-CD1 4.27Å; M300-L323 HydrophobicContact SD-CD1 4.46Å; L316-L323 HydrophobicContact CB-CD2 4.48Å; C320-L323 HydrophobicContact CB-CB 4.45Å; C320-L323 PolarHBondContact O-N 2.78Å; L323-L326 HydrophobicContact CD2-CB 4.45Å; L323-L326 HydrophobicContact CD2-CD2 4.39Å; L323-L342 HydrophobicContact CD2-CD1 4.2Å; L323-C347 HydrophobicContact CB-CB 4.03Å; L323-R351 WeakPolarHBondContact O-CB 3.49Å
324	Q	98.4	Very high	98.5	Very high	53 Å²	53	35.8 Å²	35.8	25%	0.248	18%	0.181	C	C	.	.			trans	-123	-41.6	-174.4	-72.8	164.5	48.1	0	0	112	E298 R322 R351 T353 V354	E298-Q324 WeakPolarHBondContact O-CA 3.49Å; E298-Q324 WeakPolarHBondContact O-CB 3.33Å; E298-Q324 PolarHBondContact O-N 2.97Å; R322-Q324 WeakPolarHBondContact O-CG 3.48Å; R322-Q324 PolarHBondContact O-N 3.41Å; Q324-R351 HydrophobicContact CG-CB 4.36Å; Q324-R351 WeakPolarHBondContact CG-O 3.3Å; Q324-T353 PolarHBondContact O-N 3.27Å; Q324-T353 PolarHBondContact O-OG1 3.42Å; Q324-V354 PolarHBondContact O-N 2.63Å; Q324-V354 VanDerWaalsContact O-N 3.08Å
325	A	98.8	Very high	98.5	Very high	19 Å²	19	35.2 Å²	35.2	16%	0.157	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.8	-180	0	0	0	0	0	110.7	E298 K299 M300 V354	E298-A325 PolarHBondContact O-N 3.48Å; E298-A325 VanDerWaalsContact O-N 3.07Å; K299-A325 WeakPolarHBondContact CA-O 3.49Å; K299-A325 HydrophobicContact CB-CB 4.36Å; K299-A325 HydrophobicContact CD-CB 4.38Å; K299-A325 HydrophobicContact CG-CB 4Å; M300-A325 PolarHBondContact N-O 3.48Å; A325-V354 WeakPolarHBondContact CA-O 3.42Å; A325-V354 HydrophobicContact CB-CB 3.97Å
326	L	98.8	Very high	98.5	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	120.3	177.7	-178	63.5	0	0	0	109.9	M300 L302 L313 L316 L323 L328 L342 V354 V355 E356	M300-L326 HydrophobicContact CB-CD1 3.73Å; M300-L326 WeakPolarHBondContact O-CA 3.44Å; L302-L326 HydrophobicContact CD1-CD1 4.45Å; L313-L326 HydrophobicContact CD2-CD2 3.65Å; L316-L326 HydrophobicContact CD1-CD1 4.38Å; L323-L326 HydrophobicContact CD2-CB 4.45Å; L323-L326 HydrophobicContact CD2-CD2 4.39Å; L326-L328 HydrophobicContact CD1-CD2 4.16Å; L326-L328 HydrophobicContact CD1-CG 4.44Å; L326-L328 HydrophobicContact CD2-CD1 3.91Å; L326-L328 HydrophobicContact CD2-CD2 4.28Å; L326-L328 HydrophobicContact CD2-CG 4.12Å; L326-L328 HydrophobicContact CG-CD1 4.26Å; L326-L328 HydrophobicContact CG-CD2 4.18Å; L326-L328 HydrophobicContact CG-CG 3.96Å; L326-L342 HydrophobicContact CD2-CD2 3.82Å; L326-V354 PolarHBondContact N-O 3.11Å; L326-V355 WeakPolarHBondContact O-CA 3.47Å; L326-E356 PolarHBondContact O-N 3.18Å
327	S	98.8	Very high	98.5	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.3	167.6	-176.8	0	0	0	0	110.5	M300 L302 E356	M300-S327 PolarHBondContact O-N 3.36Å; L302-S327 WeakPolarHBondContact CB-O 3.49Å; L302-S327 PolarHBondContact N-O 2.99Å; S327-E356 WeakPolarHBondContact CB-OE2 3.3Å; S327-E356 PolarHBondContact OG-OE2 3.12Å
328	L	98.7	Very high	98.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.			trans	-128.1	21.5	176.7	-57.5	165.7	0	0	0	110.1	L302 L313 L326 H330 C331 I334 I339 E356 L357 C360	L302-L328 HydrophobicContact CB-CD2 4.31Å; L302-L328 HydrophobicContact CD1-CD2 4.02Å; L313-L328 HydrophobicContact CD1-CD1 3.86Å; L313-L328 HydrophobicContact CD2-CD1 3.63Å; L313-L328 HydrophobicContact CD2-CD2 4.01Å; L313-L328 HydrophobicContact CD2-CG 4.43Å; L313-L328 HydrophobicContact CG-CD1 4.32Å; L326-L328 HydrophobicContact CD1-CD2 4.16Å; L326-L328 HydrophobicContact CD1-CG 4.44Å; L326-L328 HydrophobicContact CD2-CD1 3.91Å; L326-L328 HydrophobicContact CD2-CD2 4.28Å; L326-L328 HydrophobicContact CD2-CG 4.12Å; L326-L328 HydrophobicContact CG-CD1 4.26Å; L326-L328 HydrophobicContact CG-CD2 4.18Å; L326-L328 HydrophobicContact CG-CG 3.96Å; L328-H330 PolarHBondContact O-N 3.28Å; L328-C331 HydrophobicContact CB-CB 4.19Å; L328-C331 WeakPolarHBondContact O-CB 3.48Å; L328-C331 PolarHBondContact O-N 3.25Å; L328-I334 HydrophobicContact CD1-CG1 4.42Å; L328-I334 HydrophobicContact CD1-CG2 4.36Å; L328-I339 HydrophobicContact CD1-CD1 4.37Å; L328-E356 PolarHBondContact N-O 3.03Å; L328-L357 HydrophobicContact CB-CD2 4.11Å; L328-L357 HydrophobicContact CD1-CD2 3.79Å; L328-L357 HydrophobicContact CG-CD2 4.47Å; L328-C360 PolarHBondContact O-SG 3.25Å
329	S	98.4	Very high	98.5	Very high	4 Å²	4	33.6 Å²	33.6	3%	0.028	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	136.1	-178.5	-64.9	0	0	0	0	110.2	E303 E304 C331 D358	E303-S329 CarbonylContact C-O 3.33Å; E303-S329 WeakPolarHBondContact CA-O 3.31Å; E304-S329 PolarHBondContact N-O 3.48Å; S329-C331 PolarHBondContact O-N 3.29Å; S329-C331 VanDerWaalsContact O-N 3.17Å; S329-D358 CarbonylContact C-O 3.59Å; S329-D358 WeakPolarHBondContact CA-O 3.39Å; S329-D358 WeakPolarHBondContact OG-CB 3.44Å; S329-D358 PolarHBondContact OG-N 3.38Å; S329-D358 PolarHBondContact OG-OD2 3.17Å
330	H	98.3	Very high	98.5	Very high	58 Å²	58	36 Å²	36	27%	0.269	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	13.5	-173.1	-59.3	-86.9	0	0	0	115.9	E304 L328 E332 D358 N359	E304-H330 HydrophobicContact CB-CB 4.43Å; E304-H330 HydrophobicContact CG-CB 3.74Å; L328-H330 PolarHBondContact O-N 3.28Å; H330-E332 VanDerWaalsContact C-N 3.33Å; H330-E332 PolarHBondContact O-N 2.89Å; H330-E332 VanDerWaalsContact O-N 3.11Å; H330-D358 PolarHBondContact N-O 3.28Å; H330-N359 VanDerWaalsContact CE1-CB 3.44Å; H330-N359 WeakPolarHBondContact CE1-CB 3.46Å; H330-N359 PolarHBondContact CE1-ND2 2.96Å; H330-N359 VanDerWaalsContact CE1-ND2 3.34Å; H330-N359 WeakPolarHBondContact ND1-CB 3.19Å; H330-N359 PolarHBondContact NE2-ND2 3.37Å
331	C	98.2	Very high	98.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.			trans	-81.2	81.9	164.8	-65.2	0	0	0	0	109.3	L302 C305 L328 S329 L333 I334 C360	L302-C331 PolarHBondContact O-SG 3.21Å; C305-C331 PolarHBondContact O-SG 3.18Å; L328-C331 HydrophobicContact CB-CB 4.19Å; L328-C331 WeakPolarHBondContact O-CB 3.48Å; L328-C331 PolarHBondContact O-N 3.25Å; S329-C331 PolarHBondContact O-N 3.29Å; S329-C331 VanDerWaalsContact O-N 3.17Å; C331-L333 PolarHBondContact O-N 3.12Å; C331-L333 VanDerWaalsContact O-N 3.1Å; C331-I334 HydrophobicContact CB-CG1 3.63Å; C331-I334 PolarHBondContact O-N 3.16Å; C331-C360 PolarHBondContact O-SG 2.81Å
332	E	97.6	Very high	98.5	Very high	112 Å²	112	34.2 Å²	34.2	52%	0.523	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.8	-169.7	-64.9	-176	-166.5	0	0	114.8	H330 P361 L362	H330-E332 VanDerWaalsContact C-N 3.33Å; H330-E332 PolarHBondContact O-N 2.89Å; H330-E332 VanDerWaalsContact O-N 3.11Å; E332-P361 HydrophobicContact CB-CG 4.32Å; E332-P361 HydrophobicContact CG-CG 4.47Å; E332-L362 WeakPolarHBondContact O-CD1 3.31Å
333	L	98.5	Very high	98.4	Very high	85 Å²	85	28.8 Å²	28.8	45%	0.445	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-1.5	-179	-57.6	177.8	0	0	0	113.9	I306 T309 C331	I306-L333 WeakPolarHBondContact O-CD1 3.12Å; T309-L333 HydrophobicContact CG2-CB 4.09Å; T309-L333 HydrophobicContact CG2-CD1 3.9Å; C331-L333 PolarHBondContact O-N 3.12Å; C331-L333 VanDerWaalsContact O-N 3.1Å
334	I	98.6	Very high	98.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.			trans	-77.8	133.2	176.5	-62.6	-61.7	0	0	0	110.3	V308 T309 L313 L328 C331 I339 L362 I363	V308-I334 HydrophobicContact CG1-CD1 4.22Å; T309-I334 VanDerWaalsContact C-CD1 3.47Å; L313-I334 HydrophobicContact CD1-CD1 3.94Å; L313-I334 HydrophobicContact CD1-CG2 3.9Å; L313-I334 HydrophobicContact CG-CD1 4.09Å; L328-I334 HydrophobicContact CD1-CG1 4.42Å; L328-I334 HydrophobicContact CD1-CG2 4.36Å; C331-I334 HydrophobicContact CB-CG1 3.63Å; C331-I334 PolarHBondContact O-N 3.16Å; I334-I339 HydrophobicContact CG2-CD1 4.31Å; I334-I339 HydrophobicContact CG2-CG1 4.46Å; I334-L362 WeakPolarHBondContact O-CB 3.46Å; I334-I363 HydrophobicContact CG2-CD1 4.17Å
335	T	98.8	Very high	98.3	Very high	37 Å²	37	31.2 Å²	31.2	23%	0.227	16%	0.162	C	C	.	.			trans	-120.9	175.3	179.3	85	0	0	0	0	112	D310 D337 G338 I339 L362	D310-T335 PolarHBondContact OD1-N 3.15Å; D310-T335 WeakPolarHBondContact OD2-CB 3.42Å; D310-T335 PolarHBondContact OD2-OG1 3.35Å; T335-D337 PolarHBondContact O-N 2.93Å; T335-D337 VanDerWaalsContact O-N 3.15Å; T335-D337 PolarHBondContact OG1-N 3.26Å; T335-D337 VanDerWaalsContact OG1-N 3.16Å; T335-G338 PolarHBondContact O-N 3.41Å; T335-I339 PolarHBondContact O-N 3.44Å; T335-L362 HydrophobicContact CG2-CB 4.2Å; T335-L362 HydrophobicContact CG2-CD1 3.84Å
336	D	98.7	Very high	98.2	Very high	23 Å²	23	34.1 Å²	34.1	12%	0.123	18%	0.178	C	C	.	.	H	α-helix	trans	-56.4	-26.9	174	-60.5	-45.3	0	0	0	112.7	I339 R340 T364 V366 T367	D336-I339 PolarHBondContact O-N 3.39Å; D336-R340 WeakPolarHBondContact O-CB 3.24Å; D336-R340 PolarHBondContact O-N 3.2Å; D336-T364 PolarHBondContact OD1-N 3.29Å; D336-T364 WeakPolarHBondContact OD2-CB 3.37Å; D336-T364 WeakPolarHBondContact OD2-CG2 3.41Å; D336-T364 PolarHBondContact OD2-OG1 3.14Å; D336-V366 HydrophobicContact CB-CB 4.15Å; D336-V366 HydrophobicContact CB-CG1 4Å; D336-T367 WeakPolarHBondContact CA-OG1 2.99Å; D336-T367 VanDerWaalsContact OD1-CB 3.24Å; D336-T367 WeakPolarHBondContact OD1-CB 3.39Å; D336-T367 PolarHBondContact OD1-N 3.31Å; D336-T367 VanDerWaalsContact OD1-N 3.14Å; D336-T367 PolarHBondContact OD1-OG1 3.07Å
337	D	98.6	Very high	98.1	Very high	86 Å²	86	34 Å²	34	46%	0.46	18%	0.177	S	C	.	.	H	α-helix	trans	-70.6	-38.9	-179.1	-90.7	-38.6	0	0	0	113.3	T335 I339 R340 A341	T335-D337 PolarHBondContact O-N 2.93Å; T335-D337 VanDerWaalsContact O-N 3.15Å; T335-D337 PolarHBondContact OG1-N 3.26Å; T335-D337 VanDerWaalsContact OG1-N 3.16Å; D337-I339 VanDerWaalsContact C-N 3.34Å; D337-R340 WeakPolarHBondContact O-CB 3.36Å; D337-R340 PolarHBondContact O-N 2.98Å; D337-R340 IonicContact OD1-CZ 3.47Å; D337-R340 VanDerWaalsContact OD1-CZ 3.32Å; D337-R340 IonicContact OD1-NE 3.99Å; D337-R340 PolarHBondContact OD1-NE 3.36Å; D337-R340 IonicContact OD1-NH2 3.54Å; D337-R340 PolarHBondContact OD1-NH2 2.85Å; D337-A341 PolarHBondContact O-N 3.26Å
338	G	98.5	Very high	98	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.7	-41.4	173.8	0	0	0	0	0	111.5	D310 T335 A341 L342	D310-G338 VanDerWaalsContact CG-N 3.32Å; D310-G338 WeakPolarHBondContact OD1-CA 3.34Å; D310-G338 PolarHBondContact OD1-N 3.42Å; T335-G338 PolarHBondContact O-N 3.41Å; G338-A341 WeakPolarHBondContact O-CB 3.37Å; G338-A341 PolarHBondContact O-N 3.32Å; G338-L342 PolarHBondContact O-N 3.12Å; G338-L342 VanDerWaalsContact O-N 3.09Å
339	I	98.6	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.4	-37.3	175.8	-54.4	-60.4	0	0	0	111.5	L313 L328 I334 T335 D336 D337 A341 L342 S343 L357 I363 T367 L371	L313-I339 HydrophobicContact CD1-CD1 3.89Å; L328-I339 HydrophobicContact CD1-CD1 4.37Å; I334-I339 HydrophobicContact CG2-CD1 4.31Å; I334-I339 HydrophobicContact CG2-CG1 4.46Å; T335-I339 PolarHBondContact O-N 3.44Å; D336-I339 PolarHBondContact O-N 3.39Å; D337-I339 VanDerWaalsContact C-N 3.34Å; I339-A341 VanDerWaalsContact C-N 3.33Å; I339-A341 PolarHBondContact O-N 3.02Å; I339-L342 PolarHBondContact O-N 2.97Å; I339-S343 WeakPolarHBondContact O-CB 3.47Å; I339-S343 PolarHBondContact O-N 2.88Å; I339-S343 PolarHBondContact O-OG 3.12Å; I339-L357 HydrophobicContact CD1-CD1 4.1Å; I339-L357 HydrophobicContact CD1-CD2 3.74Å; I339-L357 HydrophobicContact CG1-CD1 4.37Å; I339-I363 HydrophobicContact CG1-CD1 3.92Å; I339-T367 HydrophobicContact CB-CG2 4.33Å; I339-T367 HydrophobicContact CG1-CG2 4.25Å; I339-T367 HydrophobicContact CG2-CG2 3.9Å; I339-L371 HydrophobicContact CG2-CD1 4.24Å; I339-L371 HydrophobicContact CG2-CD2 3.73Å; I339-L371 HydrophobicContact CG2-CG 3.83Å
340	R	98.6	Very high	97.7	Very high	99 Å²	99	43.2 Å²	43.2	37%	0.374	22%	0.219	S	C	.	.	H	α-helix	trans	-56.5	-46.7	171.8	-176.9	177.2	56.6	74	3.1	111.3	D336 D337 S343 N344	D336-R340 WeakPolarHBondContact O-CB 3.24Å; D336-R340 PolarHBondContact O-N 3.2Å; D337-R340 WeakPolarHBondContact O-CB 3.36Å; D337-R340 PolarHBondContact O-N 2.98Å; D337-R340 IonicContact OD1-CZ 3.47Å; D337-R340 VanDerWaalsContact OD1-CZ 3.32Å; D337-R340 IonicContact OD1-NE 3.99Å; D337-R340 PolarHBondContact OD1-NE 3.36Å; D337-R340 IonicContact OD1-NH2 3.54Å; D337-R340 PolarHBondContact OD1-NH2 2.85Å; R340-S343 WeakPolarHBondContact CA-OG 3.29Å; R340-S343 PolarHBondContact O-N 2.84Å; R340-S343 PolarHBondContact O-OG 2.94Å; R340-N344 WeakPolarHBondContact O-CB 3.2Å; R340-N344 PolarHBondContact O-N 3.34Å; R340-N344 VanDerWaalsContact O-N 3.16Å; R340-N344 PolarHBondContact O-ND2 3.3Å
341	A	98.4	Very high	97.6	Very high	20 Å²	20	45.7 Å²	45.7	17%	0.165	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-47.2	177.1	0	0	0	0	0	111.6	V314 D337 G338 I339 N344 S345	V314-A341 HydrophobicContact CG2-CB 3.83Å; D337-A341 PolarHBondContact O-N 3.26Å; G338-A341 WeakPolarHBondContact O-CB 3.37Å; G338-A341 PolarHBondContact O-N 3.32Å; I339-A341 VanDerWaalsContact C-N 3.33Å; I339-A341 PolarHBondContact O-N 3.02Å; A341-N344 PolarHBondContact O-N 3.26Å; A341-S345 PolarHBondContact O-N 3.16Å
342	L	97.9	Very high	97.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-46	177.7	-173.1	66.2	0	0	0	112.3	L323 L326 G338 I339 N344 S345 G348 L352	L323-L342 HydrophobicContact CD2-CD1 4.2Å; L326-L342 HydrophobicContact CD2-CD2 3.82Å; G338-L342 PolarHBondContact O-N 3.12Å; G338-L342 VanDerWaalsContact O-N 3.09Å; I339-L342 PolarHBondContact O-N 2.97Å; L342-N344 VanDerWaalsContact C-N 3.26Å; L342-N344 PolarHBondContact O-N 3.35Å; L342-S345 WeakPolarHBondContact O-CB 3.49Å; L342-S345 PolarHBondContact O-N 2.91Å; L342-S345 VanDerWaalsContact O-N 3.13Å; L342-S345 PolarHBondContact O-OG 2.59Å; L342-G348 WeakPolarHBondContact O-CA 3.39Å; L342-L352 HydrophobicContact CD2-CD2 3.98Å; L342-L352 HydrophobicContact CG-CD2 4.19Å
343	S	97.6	Very high	97.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.4	-27.2	-178.9	70.4	0	0	0	0	114.1	I339 R340 S373	I339-S343 WeakPolarHBondContact O-CB 3.47Å; I339-S343 PolarHBondContact O-N 2.88Å; I339-S343 PolarHBondContact O-OG 3.12Å; R340-S343 WeakPolarHBondContact CA-OG 3.29Å; R340-S343 PolarHBondContact O-N 2.84Å; R340-S343 PolarHBondContact O-OG 2.94Å; S343-S373 PolarHBondContact O-OG 3.34Å
344	N	97.4	Very high	97.7	Very high	95 Å²	95	38.8 Å²	38.8	51%	0.508	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-4.2	178.4	-73	-30	0	0	0	113.3	R340 A341 L342	R340-N344 WeakPolarHBondContact O-CB 3.2Å; R340-N344 PolarHBondContact O-N 3.34Å; R340-N344 VanDerWaalsContact O-N 3.16Å; R340-N344 PolarHBondContact O-ND2 3.3Å; A341-N344 PolarHBondContact O-N 3.26Å; L342-N344 VanDerWaalsContact C-N 3.26Å; L342-N344 PolarHBondContact O-N 3.35Å
345	S	97.2	Very high	97.7	Very high	10 Å²	10	38.8 Å²	38.8	7%	0.07	20%	0.195	C	C	.	.	S	Bend	trans	-81.4	167	179.6	71.6	0	0	0	0	113.3	S317 A341 L342 C347 G348 Q349	S317-S345 WeakPolarHBondContact O-CB 3.47Å; A341-S345 PolarHBondContact O-N 3.16Å; L342-S345 WeakPolarHBondContact O-CB 3.49Å; L342-S345 PolarHBondContact O-N 2.91Å; L342-S345 VanDerWaalsContact O-N 3.13Å; L342-S345 PolarHBondContact O-OG 2.59Å; S345-C347 VanDerWaalsContact C-N 3.3Å; S345-C347 PolarHBondContact O-N 3.26Å; S345-C347 PolarHBondContact OG-SG 3.1Å; S345-G348 PolarHBondContact O-N 3.36Å; S345-G348 PolarHBondContact OG-N 3.46Å; S345-Q349 WeakPolarHBondContact O-CG 3.45Å; S345-Q349 PolarHBondContact O-N 3.22Å
346	T	95.8	Very high	97.7	Very high	79 Å²	79	38.8 Å²	38.8	49%	0.485	19%	0.193	S	C	.	.	H	α-helix	trans	-60.5	-40.4	173.6	56.5	0	0	0	0	111.7	E350	T346-E350 WeakPolarHBondContact O-CB 3.32Å; T346-E350 PolarHBondContact O-N 3.25Å; T346-E350 VanDerWaalsContact O-N 3.08Å
347	C	96.5	Very high	97.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-69.9	-41	178	62.9	0	0	0	0	111.3	C320 P321 L323 S345 Q349 E350 R351 L352	C320-C347 WeakPolarHBondContact O-CB 3.34Å; C320-C347 PolarHBondContact O-SG 3.17Å; C320-C347 VanDerWaalsContact O-SG 3.4Å; P321-C347 WeakPolarHBondContact O-CB 3.32Å; L323-C347 HydrophobicContact CB-CB 4.03Å; S345-C347 VanDerWaalsContact C-N 3.3Å; S345-C347 PolarHBondContact O-N 3.26Å; S345-C347 PolarHBondContact OG-SG 3.1Å; C347-Q349 PolarHBondContact O-N 3.04Å; C347-E350 PolarHBondContact O-N 3.34Å; C347-R351 HydrophobicContact CB-CB 4.49Å; C347-R351 CarbonylContact O-C 3.43Å; C347-R351 WeakPolarHBondContact O-CA 3.48Å; C347-R351 WeakPolarHBondContact O-CB 3.45Å; C347-R351 PolarHBondContact O-N 2.9Å; C347-L352 PolarHBondContact O-N 3.33Å
348	G	96.6	Very high	97.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-54.5	-49.2	175.1	0	0	0	0	0	112.9	L342 S345 C374	L342-G348 WeakPolarHBondContact O-CA 3.39Å; S345-G348 PolarHBondContact O-N 3.36Å; S345-G348 PolarHBondContact OG-N 3.46Å; G348-C374 WeakPolarHBondContact O-CA 3.47Å; G348-C374 WeakPolarHBondContact O-CB 3.44Å; G348-C374 PolarHBondContact O-SG 3.03Å
349	Q	95.5	Very high	97.5	Very high	91 Å²	91	36.9 Å²	36.9	43%	0.425	18%	0.182	S	C	.	.	H	α-helix	trans	-76.6	-33.9	-175.6	-66.3	178	-0.2	0	0	113.5	S345 C347	S345-Q349 WeakPolarHBondContact O-CG 3.45Å; S345-Q349 PolarHBondContact O-N 3.22Å; C347-Q349 PolarHBondContact O-N 3.04Å
350	E	95.2	Very high	97.5	Very high	113 Å²	113	36.9 Å²	36.9	53%	0.528	18%	0.182	S	C	.	.	H	α-helix	trans	-112.6	-15.8	-168.9	-60.6	-172.2	177.3	0	0	115.6	T346 C347 R376	T346-E350 WeakPolarHBondContact O-CB 3.32Å; T346-E350 PolarHBondContact O-N 3.25Å; T346-E350 VanDerWaalsContact O-N 3.08Å; C347-E350 PolarHBondContact O-N 3.34Å; E350-R376 WeakPolarHBondContact O-CD 3.36Å; E350-R376 PolarHBondContact O-NE 3.48Å; E350-R376 VanDerWaalsContact O-NE 3.08Å; E350-R376 PolarHBondContact O-NH1 3.07Å; E350-R376 VanDerWaalsContact O-NH1 3.09Å
351	R	97.4	Very high	97.4	Very high	109 Å²	109	35 Å²	35	41%	0.411	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.1	-30.1	-164.9	-62.3	-65.4	-179.5	150.5	1.2	115.1	L323 Q324 C347 T353	L323-R351 WeakPolarHBondContact O-CB 3.49Å; Q324-R351 HydrophobicContact CG-CB 4.36Å; Q324-R351 WeakPolarHBondContact CG-O 3.3Å; C347-R351 HydrophobicContact CB-CB 4.49Å; C347-R351 CarbonylContact O-C 3.43Å; C347-R351 WeakPolarHBondContact O-CA 3.48Å; C347-R351 WeakPolarHBondContact O-CB 3.45Å; C347-R351 PolarHBondContact O-N 2.9Å; R351-T353 WeakPolarHBondContact O-CG2 3.38Å; R351-T353 PolarHBondContact O-N 3.21Å
352	L	98.2	Very high	97.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.			trans	-65.7	119.9	-174.3	-168.2	67.4	0	0	0	110.6	L342 C347 V355 R376 L377	L342-L352 HydrophobicContact CD2-CD2 3.98Å; L342-L352 HydrophobicContact CG-CD2 4.19Å; C347-L352 PolarHBondContact O-N 3.33Å; L352-V355 HydrophobicContact CD1-CG2 3.97Å; L352-V355 HydrophobicContact CD2-CG2 3.56Å; L352-V355 HydrophobicContact CG-CG2 3.81Å; L352-R376 CarbonylContact O-C 3.42Å; L352-R376 VanDerWaalsContact O-C 3.25Å; L352-L377 HydrophobicContact CG-CD1 4.28Å; L352-L377 WeakPolarHBondContact O-CA 3.49Å; L352-L377 PolarHBondContact O-N 2.63Å
353	T	98.3	Very high	97.4	Very high	30 Å²	30	37.8 Å²	37.8	18%	0.184	20%	0.195	C	C	.	.			trans	-116.3	-29	-177.9	59.5	0	0	0	0	113	Q324 R351 R376 E378 R379	Q324-T353 PolarHBondContact O-N 3.27Å; Q324-T353 PolarHBondContact O-OG1 3.42Å; R351-T353 WeakPolarHBondContact O-CG2 3.38Å; R351-T353 PolarHBondContact O-N 3.21Å; T353-R376 WeakPolarHBondContact CA-O 3.42Å; T353-E378 PolarHBondContact O-N 2.95Å; T353-R379 PolarHBondContact O-N 3.42Å
354	V	98.6	Very high	97.4	Very high	22 Å²	22	39 Å²	39	13%	0.133	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	129.8	-177.6	-177.7	0	0	0	0	110.8	Q324 A325 L326 E356 R379	Q324-V354 PolarHBondContact O-N 2.63Å; Q324-V354 VanDerWaalsContact O-N 3.08Å; A325-V354 WeakPolarHBondContact CA-O 3.42Å; A325-V354 HydrophobicContact CB-CB 3.97Å; L326-V354 PolarHBondContact N-O 3.11Å; V354-E356 HydrophobicContact CG1-CG 4.12Å; V354-R379 WeakPolarHBondContact CA-O 3.28Å; V354-R379 HydrophobicContact CG1-CB 4.41Å; V354-R379 HydrophobicContact CG2-CB 4.26Å
355	V	98.4	Very high	97.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	122.7	171.9	176.4	0	0	0	0	109.2	L326 L352 L357 L377 R379 I380 E381	L326-V355 WeakPolarHBondContact O-CA 3.47Å; L352-V355 HydrophobicContact CD1-CG2 3.97Å; L352-V355 HydrophobicContact CD2-CG2 3.56Å; L352-V355 HydrophobicContact CG-CG2 3.81Å; V355-L357 HydrophobicContact CG1-CD1 3.93Å; V355-L357 HydrophobicContact CG1-CD2 3.91Å; V355-L357 HydrophobicContact CG1-CG 3.72Å; V355-L377 HydrophobicContact CB-CD1 4.47Å; V355-L377 HydrophobicContact CG2-CD1 3.95Å; V355-R379 PolarHBondContact N-O 3.31Å; V355-R379 VanDerWaalsContact N-O 3.1Å; V355-I380 VanDerWaalsContact O-CA 3.26Å; V355-I380 WeakPolarHBondContact O-CA 3.33Å; V355-E381 PolarHBondContact O-N 2.85Å
356	E	98.8	Very high	97.5	Very high	37 Å²	37	38.5 Å²	38.5	17%	0.173	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.2	178.1	-59.1	169.6	-170.2	0	0	108.3	L326 S327 L328 V354 R379 E381	L326-E356 PolarHBondContact O-N 3.18Å; S327-E356 WeakPolarHBondContact CB-OE2 3.3Å; S327-E356 PolarHBondContact OG-OE2 3.12Å; L328-E356 PolarHBondContact N-O 3.03Å; V354-E356 HydrophobicContact CG1-CG 4.12Å; E356-R379 IonicContact OE1-CZ 3.87Å; E356-R379 IonicContact OE1-NH1 3.85Å; E356-R379 IonicContact OE1-NH2 2.92Å; E356-R379 PolarHBondContact OE1-NH2 3.12Å; E356-E381 HydrophobicContact CB-CB 4.25Å; E356-E381 HydrophobicContact CG-CB 4.08Å; E356-E381 HydrophobicContact CG-CG 3.95Å
357	L	98.4	Very high	97.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.			trans	-128	25.1	-175.1	-56.3	170.9	0	0	0	110.9	L328 I339 V355 N359 C360 I363 T367 E381 L382 C385	L328-L357 HydrophobicContact CB-CD2 4.11Å; L328-L357 HydrophobicContact CD1-CD2 3.79Å; L328-L357 HydrophobicContact CG-CD2 4.47Å; I339-L357 HydrophobicContact CD1-CD1 4.1Å; I339-L357 HydrophobicContact CD1-CD2 3.74Å; I339-L357 HydrophobicContact CG1-CD1 4.37Å; V355-L357 HydrophobicContact CG1-CD1 3.93Å; V355-L357 HydrophobicContact CG1-CD2 3.91Å; V355-L357 HydrophobicContact CG1-CG 3.72Å; L357-N359 PolarHBondContact O-N 3.33Å; L357-C360 HydrophobicContact CB-CB 4.43Å; L357-C360 WeakPolarHBondContact O-CB 3.26Å; L357-C360 PolarHBondContact O-N 3.43Å; L357-C360 VanDerWaalsContact O-N 3.15Å; L357-C360 PolarHBondContact O-SG 3.49Å; L357-I363 HydrophobicContact CD1-CD1 4.32Å; L357-I363 HydrophobicContact CD1-CG1 4.4Å; L357-I363 HydrophobicContact CD1-CG2 4.31Å; L357-T367 HydrophobicContact CD1-CG2 3.91Å; L357-E381 PolarHBondContact N-O 3.43Å; L357-L382 HydrophobicContact CB-CD2 4.14Å; L357-L382 HydrophobicContact CD1-CD2 4.07Å; L357-C385 PolarHBondContact O-SG 3.35Å
358	D	97.7	Very high	97.7	Very high	19 Å²	19	34.7 Å²	34.7	10%	0.102	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	139.8	-176	-56.6	-44.2	0	0	0	109.8	S329 H330 C360 E381 L382 Y383	S329-D358 CarbonylContact C-O 3.59Å; S329-D358 WeakPolarHBondContact CA-O 3.39Å; S329-D358 WeakPolarHBondContact OG-CB 3.44Å; S329-D358 PolarHBondContact OG-N 3.38Å; S329-D358 PolarHBondContact OG-OD2 3.17Å; H330-D358 PolarHBondContact N-O 3.28Å; D358-C360 PolarHBondContact O-N 3.41Å; D358-E381 WeakPolarHBondContact OD1-CB 3.37Å; D358-L382 PolarHBondContact OD1-N 3.37Å; D358-Y383 CarbonylContact C-O 3.57Å; D358-Y383 VanDerWaalsContact CA-O 3.24Å; D358-Y383 WeakPolarHBondContact CA-O 3.31Å; D358-Y383 WeakPolarHBondContact OD1-CB 3.35Å; D358-Y383 WeakPolarHBondContact OD1-CD2 3.42Å; D358-Y383 PolarHBondContact OD1-N 3.5Å
359	N	97.1	Very high	97.8	Very high	49 Å²	49	38.3 Å²	38.3	26%	0.262	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	29.6	-178.7	-62.5	-92.7	0	0	0	114.2	H330 L357 P361 Y383 D384	H330-N359 VanDerWaalsContact CE1-CB 3.44Å; H330-N359 WeakPolarHBondContact CE1-CB 3.46Å; H330-N359 PolarHBondContact CE1-ND2 2.96Å; H330-N359 VanDerWaalsContact CE1-ND2 3.34Å; H330-N359 WeakPolarHBondContact ND1-CB 3.19Å; H330-N359 PolarHBondContact NE2-ND2 3.37Å; L357-N359 PolarHBondContact O-N 3.33Å; N359-P361 VanDerWaalsContact O-CD 3.25Å; N359-P361 WeakPolarHBondContact O-CD 3.3Å; N359-Y383 PolarHBondContact N-O 3.12Å; N359-D384 WeakPolarHBondContact OD1-CB 3.26Å
360	C	97.6	Very high	97.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.			trans	-94.1	97.4	164.6	-65.2	0	0	0	0	109.7	L328 C331 L357 D358 L362 I363	L328-C360 PolarHBondContact O-SG 3.25Å; C331-C360 PolarHBondContact O-SG 2.81Å; L357-C360 HydrophobicContact CB-CB 4.43Å; L357-C360 WeakPolarHBondContact O-CB 3.26Å; L357-C360 PolarHBondContact O-N 3.43Å; L357-C360 VanDerWaalsContact O-N 3.15Å; L357-C360 PolarHBondContact O-SG 3.49Å; D358-C360 PolarHBondContact O-N 3.41Å; C360-L362 VanDerWaalsContact C-N 3.26Å; C360-L362 PolarHBondContact O-N 3.48Å; C360-I363 HydrophobicContact CB-CB 4.34Å; C360-I363 HydrophobicContact CB-CG1 3.51Å; C360-I363 PolarHBondContact O-N 3.19Å
361	P	97.2	Very high	98	Very high	60 Å²	60	30.9 Å²	30.9	39%	0.39	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-17	-168.8	29.5	-35.6	0	0	0	114	E332 N359 Q387	E332-P361 HydrophobicContact CB-CG 4.32Å; E332-P361 HydrophobicContact CG-CG 4.47Å; N359-P361 VanDerWaalsContact O-CD 3.25Å; N359-P361 WeakPolarHBondContact O-CD 3.3Å; P361-Q387 PolarHBondContact O-NE2 3.12Å
362	L	98	Very high	97.9	Very high	78 Å²	78	27.8 Å²	27.8	41%	0.408	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-1.7	-179.6	-56.3	177.7	0	0	0	113.3	E332 I334 T335 C360	E332-L362 WeakPolarHBondContact O-CD1 3.31Å; I334-L362 WeakPolarHBondContact O-CB 3.46Å; T335-L362 HydrophobicContact CG2-CB 4.2Å; T335-L362 HydrophobicContact CG2-CD1 3.84Å; C360-L362 VanDerWaalsContact C-N 3.26Å; C360-L362 PolarHBondContact O-N 3.48Å
363	I	98.2	Very high	97.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.			trans	-80.3	128.7	176.3	-65.4	-63.1	0	0	0	110.2	I334 I339 L357 C360 T367 L382 Q387 V388	I334-I363 HydrophobicContact CG2-CD1 4.17Å; I339-I363 HydrophobicContact CG1-CD1 3.92Å; L357-I363 HydrophobicContact CD1-CD1 4.32Å; L357-I363 HydrophobicContact CD1-CG1 4.4Å; L357-I363 HydrophobicContact CD1-CG2 4.31Å; C360-I363 HydrophobicContact CB-CB 4.34Å; C360-I363 HydrophobicContact CB-CG1 3.51Å; C360-I363 PolarHBondContact O-N 3.19Å; I363-T367 WeakPolarHBondContact CD1-OG1 3.42Å; I363-T367 HydrophobicContact CG2-CG2 3.88Å; I363-L382 HydrophobicContact CG2-CD2 4.4Å; I363-Q387 WeakPolarHBondContact O-CB 3.49Å; I363-V388 HydrophobicContact CG2-CG2 3.97Å
364	T	98.4	Very high	97.7	Very high	26 Å²	26	27.7 Å²	27.7	16%	0.16	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-122.2	-176.2	-177.9	80.9	0	0	0	0	112.1	D336 V366 T367 Q387	D336-T364 PolarHBondContact OD1-N 3.29Å; D336-T364 WeakPolarHBondContact OD2-CB 3.37Å; D336-T364 WeakPolarHBondContact OD2-CG2 3.41Å; D336-T364 PolarHBondContact OD2-OG1 3.14Å; T364-V366 PolarHBondContact O-N 3.45Å; T364-V366 VanDerWaalsContact O-N 3.1Å; T364-V366 WeakPolarHBondContact OG1-CB 3.33Å; T364-V366 WeakPolarHBondContact OG1-CG2 3.44Å; T364-V366 PolarHBondContact OG1-N 2.8Å; T364-V366 VanDerWaalsContact OG1-N 3.09Å; T364-T367 WeakPolarHBondContact O-CB 3.25Å; T364-T367 PolarHBondContact O-N 3.04Å; T364-Q387 HydrophobicContact CG2-CB 3.9Å
365	D	98.2	Very high	97.4	Very high	26 Å²	26	32.9 Å²	32.9	14%	0.139	17%	0.173	C	C	.	.	H	α-helix	trans	-54.5	-23	169.3	-88.8	11.9	0	0	0	113.4	L368 E369 T389 G392 R395	D365-L368 WeakPolarHBondContact O-CB 3.48Å; D365-L368 PolarHBondContact O-N 3.14Å; D365-L368 VanDerWaalsContact O-N 3.16Å; D365-E369 PolarHBondContact O-N 2.64Å; D365-T389 VanDerWaalsContact CG-OG1 3.31Å; D365-T389 PolarHBondContact OD1-N 2.89Å; D365-T389 PolarHBondContact OD1-OG1 3.12Å; D365-T389 PolarHBondContact OD2-OG1 3.44Å; D365-G392 WeakPolarHBondContact OD2-CA 3.45Å; D365-G392 PolarHBondContact OD2-N 3.18Å; D365-R395 IonicContact OD2-CZ 2.84Å; D365-R395 IonicContact OD2-NH1 2.58Å; D365-R395 IonicContact OD2-NH2 3.83Å; D365-R395 PolarHBondContact OD2-NH2 3.5Å
366	V	98.3	Very high	97.4	Very high	68 Å²	68	39.6 Å²	39.6	41%	0.412	20%	0.198	S	C	.	.	H	α-helix	trans	-65.1	-39.4	179	176.6	0	0	0	0	111.3	D336 T364 L368 E369 H370	D336-V366 HydrophobicContact CB-CB 4.15Å; D336-V366 HydrophobicContact CB-CG1 4Å; T364-V366 PolarHBondContact O-N 3.45Å; T364-V366 VanDerWaalsContact O-N 3.1Å; T364-V366 WeakPolarHBondContact OG1-CB 3.33Å; T364-V366 WeakPolarHBondContact OG1-CG2 3.44Å; T364-V366 PolarHBondContact OG1-N 2.8Å; T364-V366 VanDerWaalsContact OG1-N 3.09Å; V366-L368 PolarHBondContact O-N 2.83Å; V366-E369 WeakPolarHBondContact O-CA 3.29Å; V366-E369 WeakPolarHBondContact O-CB 3.27Å; V366-E369 PolarHBondContact O-N 2.87Å; V366-H370 VanDerWaalsContact CG1-NE2 3.32Å; V366-H370 WeakPolarHBondContact CG1-NE2 3.43Å; V366-H370 PolarHBondContact O-CD2 3.45Å; V366-H370 VanDerWaalsContact O-CD2 3.31Å; V366-H370 PolarHBondContact O-N 3.35Å
367	T	98.3	Very high	97.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-53.3	-42.6	170.4	-82.1	0	0	0	0	112	D336 I339 L357 I363 T364 E369 H370 L371	D336-T367 WeakPolarHBondContact CA-OG1 2.99Å; D336-T367 VanDerWaalsContact OD1-CB 3.24Å; D336-T367 WeakPolarHBondContact OD1-CB 3.39Å; D336-T367 PolarHBondContact OD1-N 3.31Å; D336-T367 VanDerWaalsContact OD1-N 3.14Å; D336-T367 PolarHBondContact OD1-OG1 3.07Å; I339-T367 HydrophobicContact CB-CG2 4.33Å; I339-T367 HydrophobicContact CG1-CG2 4.25Å; I339-T367 HydrophobicContact CG2-CG2 3.9Å; L357-T367 HydrophobicContact CD1-CG2 3.91Å; I363-T367 WeakPolarHBondContact CD1-OG1 3.42Å; I363-T367 HydrophobicContact CG2-CG2 3.88Å; T364-T367 WeakPolarHBondContact O-CB 3.25Å; T364-T367 PolarHBondContact O-N 3.04Å; T367-E369 VanDerWaalsContact C-N 3.3Å; T367-E369 PolarHBondContact O-N 3.47Å; T367-H370 PolarHBondContact O-N 3.42Å; T367-L371 HydrophobicContact CG2-CD1 3.83Å; T367-L371 HydrophobicContact CG2-CG 4.4Å; T367-L371 WeakPolarHBondContact O-CG 3.45Å; T367-L371 PolarHBondContact O-N 3.12Å
368	L	98	Very high	97.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69.4	-28.8	178.6	-58	-176.6	0	0	0	112.9	D365 V366 K372 I380 L382 V388 G392 I393 I396	D365-L368 WeakPolarHBondContact O-CB 3.48Å; D365-L368 PolarHBondContact O-N 3.14Å; D365-L368 VanDerWaalsContact O-N 3.16Å; V366-L368 PolarHBondContact O-N 2.83Å; L368-K372 WeakPolarHBondContact O-CG 3.44Å; L368-I380 HydrophobicContact CD2-CD1 4.41Å; L368-L382 HydrophobicContact CD2-CD1 3.76Å; L368-V388 HydrophobicContact CD1-CG1 3.72Å; L368-G392 VanDerWaalsContact CD1-C 3.42Å; L368-I393 HydrophobicContact CD1-CG1 3.84Å; L368-I396 HydrophobicContact CB-CB 4.4Å; L368-I396 HydrophobicContact CB-CD1 4.37Å; L368-I396 HydrophobicContact CD1-CG2 4.45Å; L368-I396 HydrophobicContact CD2-CD1 4.2Å
369	E	97.6	Very high	97.3	Very high	76 Å²	76	47.1 Å²	47.1	36%	0.355	23%	0.229	S	C	.	.	H	α-helix	trans	-69.4	-40.3	172.5	-64.7	-64.7	138.1	0	0	111.1	D365 V366 T367 K372 R395	D365-E369 PolarHBondContact O-N 2.64Å; V366-E369 WeakPolarHBondContact O-CA 3.29Å; V366-E369 WeakPolarHBondContact O-CB 3.27Å; V366-E369 PolarHBondContact O-N 2.87Å; T367-E369 VanDerWaalsContact C-N 3.3Å; T367-E369 PolarHBondContact O-N 3.47Å; E369-K372 WeakPolarHBondContact O-CB 3.33Å; E369-K372 IonicContact OE1-NZ 3.58Å; E369-K372 PolarHBondContact OE1-NZ 3.37Å; E369-K372 WeakPolarHBondContact OE2-CE 3.5Å; E369-K372 IonicContact OE2-NZ 2.74Å; E369-K372 PolarHBondContact OE2-NZ 2.98Å; E369-R395 IonicContact OE1-CZ 2.78Å; E369-R395 IonicContact OE1-NE 3.55Å; E369-R395 PolarHBondContact OE1-NE 3.25Å; E369-R395 IonicContact OE1-NH2 2.97Å
370	H	98	Very high	97.3	Very high	47 Å²	47	44.8 Å²	44.8	22%	0.218	22%	0.217	C	C	.	.	H	α-helix	trans	-65.1	-46	175.3	-68	-40.2	0	0	0	112.7	V366 T367 K372 S373	V366-H370 VanDerWaalsContact CG1-NE2 3.32Å; V366-H370 WeakPolarHBondContact CG1-NE2 3.43Å; V366-H370 PolarHBondContact O-CD2 3.45Å; V366-H370 VanDerWaalsContact O-CD2 3.31Å; V366-H370 PolarHBondContact O-N 3.35Å; T367-H370 PolarHBondContact O-N 3.42Å; H370-K372 PolarHBondContact O-N 3.37Å; H370-S373 PolarHBondContact O-N 3.1Å; H370-S373 PolarHBondContact O-OG 2.95Å
371	L	97.5	Very high	97.4	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-66.9	-6.5	-177.7	-69.3	174.5	0	0	0	114.6	I339 T367 S373 C374 L377 I380 I396	I339-L371 HydrophobicContact CG2-CD1 4.24Å; I339-L371 HydrophobicContact CG2-CD2 3.73Å; I339-L371 HydrophobicContact CG2-CG 3.83Å; T367-L371 HydrophobicContact CG2-CD1 3.83Å; T367-L371 HydrophobicContact CG2-CG 4.4Å; T367-L371 WeakPolarHBondContact O-CG 3.45Å; T367-L371 PolarHBondContact O-N 3.12Å; L371-S373 PolarHBondContact O-N 3.47Å; L371-C374 WeakPolarHBondContact O-CB 3.39Å; L371-C374 PolarHBondContact O-N 2.83Å; L371-C374 VanDerWaalsContact O-N 3.08Å; L371-L377 HydrophobicContact CB-CD2 3.97Å; L371-L377 HydrophobicContact CD1-CD2 4.27Å; L371-L377 HydrophobicContact CD2-CD2 4.18Å; L371-L377 HydrophobicContact CG-CD2 4.37Å; L371-I380 HydrophobicContact CD1-CD1 3.88Å; L371-I396 HydrophobicContact CB-CD1 4.02Å
372	K	95.5	Very high	97.4	Very high	44 Å²	44	43.4 Å²	43.4	19%	0.191	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-61.5	-27.6	172.8	-70.9	176.7	-175.5	177.6	0	113.3	L368 E369 H370 C374 H375 I396 Q399	L368-K372 WeakPolarHBondContact O-CG 3.44Å; E369-K372 WeakPolarHBondContact O-CB 3.33Å; E369-K372 IonicContact OE1-NZ 3.58Å; E369-K372 PolarHBondContact OE1-NZ 3.37Å; E369-K372 WeakPolarHBondContact OE2-CE 3.5Å; E369-K372 IonicContact OE2-NZ 2.74Å; E369-K372 PolarHBondContact OE2-NZ 2.98Å; H370-K372 PolarHBondContact O-N 3.37Å; K372-C374 PolarHBondContact O-N 3.45Å; K372-H375 PolarHBondContact O-ND1 3.36Å; K372-I396 HydrophobicContact CG-CG1 4.39Å; K372-Q399 HydrophobicContact CB-CG 4.15Å; K372-Q399 HydrophobicContact CD-CB 4.44Å; K372-Q399 HydrophobicContact CD-CG 4.38Å; K372-Q399 HydrophobicContact CG-CB 4.26Å; K372-Q399 HydrophobicContact CG-CG 4.14Å
373	S	94.5	Very high	97.3	Very high	29 Å²	29	44 Å²	44	20%	0.203	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-73.4	-16.9	176	60.3	0	0	0	0	113	S343 H370 L371 H375	S343-S373 PolarHBondContact O-OG 3.34Å; H370-S373 PolarHBondContact O-N 3.1Å; H370-S373 PolarHBondContact O-OG 2.95Å; L371-S373 PolarHBondContact O-N 3.47Å; S373-H375 VanDerWaalsContact C-N 3.35Å; S373-H375 PolarHBondContact O-N 2.99Å
374	C	96.8	Very high	97	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.223	C	C	.	.			trans	-82.9	77.1	-179.1	-55.2	0	0	0	0	110.2	G348 L371 K372 R376 L377	G348-C374 WeakPolarHBondContact O-CA 3.47Å; G348-C374 WeakPolarHBondContact O-CB 3.44Å; G348-C374 PolarHBondContact O-SG 3.03Å; L371-C374 WeakPolarHBondContact O-CB 3.39Å; L371-C374 PolarHBondContact O-N 2.83Å; L371-C374 VanDerWaalsContact O-N 3.08Å; K372-C374 PolarHBondContact O-N 3.45Å; C374-R376 PolarHBondContact O-N 3.18Å; C374-R376 VanDerWaalsContact O-N 3.09Å; C374-L377 HydrophobicContact CB-CB 3.94Å; C374-L377 HydrophobicContact CB-CD2 4.15Å; C374-L377 WeakPolarHBondContact O-CB 2.98Å; C374-L377 PolarHBondContact O-N 3.31Å
375	H	94.1	Very high	96.9	Very high	131 Å²	131	47 Å²	47	61%	0.606	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.5	-171	-56.6	-41	0	0	0	115.1	K372 S373	K372-H375 PolarHBondContact O-ND1 3.36Å; S373-H375 VanDerWaalsContact C-N 3.35Å; S373-H375 PolarHBondContact O-N 2.99Å
376	R	96.4	Very high	96.6	Very high	141 Å²	141	54.3 Å²	54.3	53%	0.532	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	4.3	175.2	-62.1	-153.6	-177.5	172.7	-2.9	113.8	E350 L352 T353 C374 E378	E350-R376 WeakPolarHBondContact O-CD 3.36Å; E350-R376 PolarHBondContact O-NE 3.48Å; E350-R376 VanDerWaalsContact O-NE 3.08Å; E350-R376 PolarHBondContact O-NH1 3.07Å; E350-R376 VanDerWaalsContact O-NH1 3.09Å; L352-R376 CarbonylContact O-C 3.42Å; L352-R376 VanDerWaalsContact O-C 3.25Å; T353-R376 WeakPolarHBondContact CA-O 3.42Å; C374-R376 PolarHBondContact O-N 3.18Å; C374-R376 VanDerWaalsContact O-N 3.09Å; R376-E378 PolarHBondContact O-N 2.56Å
377	L	97.6	Very high	96.5	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.042	25%	0.254	C	S	.	.			trans	-69.1	116.3	-176.8	-165.3	62.5	0	0	0	110.1	L352 V355 L371 C374 I380 I403	L352-L377 HydrophobicContact CG-CD1 4.28Å; L352-L377 WeakPolarHBondContact O-CA 3.49Å; L352-L377 PolarHBondContact O-N 2.63Å; V355-L377 HydrophobicContact CB-CD1 4.47Å; V355-L377 HydrophobicContact CG2-CD1 3.95Å; L371-L377 HydrophobicContact CB-CD2 3.97Å; L371-L377 HydrophobicContact CD1-CD2 4.27Å; L371-L377 HydrophobicContact CD2-CD2 4.18Å; L371-L377 HydrophobicContact CG-CD2 4.37Å; C374-L377 HydrophobicContact CB-CB 3.94Å; C374-L377 HydrophobicContact CB-CD2 4.15Å; C374-L377 WeakPolarHBondContact O-CB 2.98Å; C374-L377 PolarHBondContact O-N 3.31Å; L377-I380 HydrophobicContact CD2-CD1 3.58Å; L377-I380 HydrophobicContact CD2-CG1 3.65Å; L377-I380 HydrophobicContact CG-CD1 4.41Å; L377-I380 HydrophobicContact CG-CG1 4.01Å; L377-I403 HydrophobicContact CB-CD1 4.18Å; L377-I403 HydrophobicContact CD2-CD1 3.85Å; L377-I403 HydrophobicContact CG-CD1 3.87Å
378	E	97.8	Very high	96.4	Very high	125 Å²	125	56.2 Å²	56.2	58%	0.584	26%	0.256	S	S	*	.			trans	-100	-32.7	-177.2	-65	-179.9	-175.1	0	0	111.7	T353 R376 K404	T353-E378 PolarHBondContact O-N 2.95Å; R376-E378 PolarHBondContact O-N 2.56Å; E378-K404 PolarHBondContact O-N 3.12Å
379	R	98.3	Very high	96.4	Very high	82 Å²	82	59 Å²	59	31%	0.309	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	133.9	-174.9	-173.7	171	71.8	148.3	-4.9	112.5	T353 V354 V355 E356 E381 K404	T353-R379 PolarHBondContact O-N 3.42Å; V354-R379 WeakPolarHBondContact CA-O 3.28Å; V354-R379 HydrophobicContact CG1-CB 4.41Å; V354-R379 HydrophobicContact CG2-CB 4.26Å; V355-R379 PolarHBondContact N-O 3.31Å; V355-R379 VanDerWaalsContact N-O 3.1Å; E356-R379 IonicContact OE1-CZ 3.87Å; E356-R379 IonicContact OE1-NH1 3.85Å; E356-R379 IonicContact OE1-NH2 2.92Å; E356-R379 PolarHBondContact OE1-NH2 3.12Å; R379-E381 WeakPolarHBondContact CD-OE1 3.48Å; R379-E381 HydrophobicContact CG-CG 4.19Å; R379-E381 IonicContact CZ-OE1 3.28Å; R379-E381 IonicContact NE-OE1 3.91Å; R379-E381 IonicContact NH1-OE1 3.09Å; R379-E381 PolarHBondContact NH1-OE1 3.16Å; R379-K404 CarbonylContact C-O 3.51Å; R379-K404 WeakPolarHBondContact CA-O 3.4Å
380	I	98.1	Very high	96.2	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130	167.7	-47.3	174	0	0	0	109.1	V355 L368 L371 L377 L382 I396 I403 K404 V405 H406	V355-I380 VanDerWaalsContact O-CA 3.26Å; V355-I380 WeakPolarHBondContact O-CA 3.33Å; L368-I380 HydrophobicContact CD2-CD1 4.41Å; L371-I380 HydrophobicContact CD1-CD1 3.88Å; L377-I380 HydrophobicContact CD2-CD1 3.58Å; L377-I380 HydrophobicContact CD2-CG1 3.65Å; L377-I380 HydrophobicContact CG-CD1 4.41Å; L377-I380 HydrophobicContact CG-CG1 4.01Å; I380-L382 HydrophobicContact CG2-CD1 4.02Å; I380-L382 HydrophobicContact CG2-CD2 3.82Å; I380-L382 HydrophobicContact CG2-CG 3.72Å; I380-I396 HydrophobicContact CD1-CD1 3.61Å; I380-I403 HydrophobicContact CD1-CD1 3.49Å; I380-I403 VanDerWaalsContact CD1-CD1 3.49Å; I380-I403 HydrophobicContact CG1-CD1 3.76Å; I380-I403 HydrophobicContact CG1-CG1 4.38Å; I380-K404 PolarHBondContact N-O 2.81Å; I380-V405 WeakPolarHBondContact O-CA 3.39Å; I380-H406 PolarHBondContact O-N 3.32Å
381	E	98.1	Very high	96.1	Very high	26 Å²	26	61.9 Å²	61.9	12%	0.121	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.2	172.5	-50	-158.9	159.7	0	0	109.6	V355 E356 L357 D358 R379 Y383 H406	V355-E381 PolarHBondContact O-N 2.85Å; E356-E381 HydrophobicContact CB-CB 4.25Å; E356-E381 HydrophobicContact CG-CB 4.08Å; E356-E381 HydrophobicContact CG-CG 3.95Å; L357-E381 PolarHBondContact N-O 3.43Å; D358-E381 WeakPolarHBondContact OD1-CB 3.37Å; R379-E381 WeakPolarHBondContact CD-OE1 3.48Å; R379-E381 HydrophobicContact CG-CG 4.19Å; R379-E381 IonicContact CZ-OE1 3.28Å; R379-E381 IonicContact NE-OE1 3.91Å; R379-E381 IonicContact NH1-OE1 3.09Å; R379-E381 PolarHBondContact NH1-OE1 3.16Å; E381-Y383 HydrophobicContact CB-CD2 4.49Å; E381-H406 HydrophobicContact CG-CB 4.25Å; E381-H406 IonicContact OE1-CE1 2.72Å; E381-H406 IonicContact OE1-ND1 3.85Å; E381-H406 PolarHBondContact OE1-ND1 2.61Å; E381-H406 VanDerWaalsContact OE1-ND1 3.09Å
382	L	97.4	Very high	96.1	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.021	29%	0.289	C	S	.	.			trans	-139.2	28.7	-170.9	-58.1	167.3	0	0	0	111.1	L357 D358 I363 L368 I380 D384 C385 V388 V405 H406 A407	L357-L382 HydrophobicContact CB-CD2 4.14Å; L357-L382 HydrophobicContact CD1-CD2 4.07Å; D358-L382 PolarHBondContact OD1-N 3.37Å; I363-L382 HydrophobicContact CG2-CD2 4.4Å; L368-L382 HydrophobicContact CD2-CD1 3.76Å; I380-L382 HydrophobicContact CG2-CD1 4.02Å; I380-L382 HydrophobicContact CG2-CD2 3.82Å; I380-L382 HydrophobicContact CG2-CG 3.72Å; L382-D384 PolarHBondContact O-N 3.29Å; L382-C385 HydrophobicContact CB-CB 4.29Å; L382-C385 PolarHBondContact O-N 2.88Å; L382-V388 HydrophobicContact CD1-CG1 4.15Å; L382-V405 HydrophobicContact CD1-CG1 3.71Å; L382-H406 PolarHBondContact N-O 3.38Å; L382-A407 HydrophobicContact CB-CB 4.16Å
383	Y	95.8	Very high	96.1	Very high	91 Å²	91	60.3 Å²	60.3	36%	0.357	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	134.1	173.8	-64	-71.5	0	0	0	109.5	D358 N359 E381 C385 H406	D358-Y383 CarbonylContact C-O 3.57Å; D358-Y383 VanDerWaalsContact CA-O 3.24Å; D358-Y383 WeakPolarHBondContact CA-O 3.31Å; D358-Y383 WeakPolarHBondContact OD1-CB 3.35Å; D358-Y383 WeakPolarHBondContact OD1-CD2 3.42Å; D358-Y383 PolarHBondContact OD1-N 3.5Å; N359-Y383 PolarHBondContact N-O 3.12Å; E381-Y383 HydrophobicContact CB-CD2 4.49Å; Y383-C385 PolarHBondContact O-N 3.19Å; Y383-C385 VanDerWaalsContact O-N 3.07Å; Y383-H406 HydrophobicContact CE2-CB 3.81Å
384	D	93.4	Very high	96.2	Very high	82 Å²	82	66.4 Å²	66.4	44%	0.439	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	16.8	-178.8	-61.7	-45.1	0	0	0	116.8	N359 L382 Q386	N359-D384 WeakPolarHBondContact OD1-CB 3.26Å; L382-D384 PolarHBondContact O-N 3.29Å; D384-Q386 VanDerWaalsContact C-N 3.34Å; D384-Q386 PolarHBondContact O-N 3Å
385	C	94.9	Very high	96.1	Very high	8 Å²	8	71.2 Å²	71.2	5%	0.054	32%	0.324	C	S	.	.			trans	-78.2	79	163.4	-66.5	0	0	0	0	111	L357 L382 Y383 Q387 V388	L357-C385 PolarHBondContact O-SG 3.35Å; L382-C385 HydrophobicContact CB-CB 4.29Å; L382-C385 PolarHBondContact O-N 2.88Å; Y383-C385 PolarHBondContact O-N 3.19Å; Y383-C385 VanDerWaalsContact O-N 3.07Å; C385-Q387 PolarHBondContact O-N 3.25Å; C385-V388 HydrophobicContact CB-CB 4.25Å; C385-V388 HydrophobicContact CB-CG2 3.76Å; C385-V388 WeakPolarHBondContact O-CB 3.43Å; C385-V388 PolarHBondContact O-N 3.21Å
386	Q	93.2	Very high	96.3	Very high	178 Å²	178	65 Å²	65	83%	0.832	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.5	-169.5	-61.5	-177.1	8.3	0	0	115.2	D384	D384-Q386 VanDerWaalsContact C-N 3.34Å; D384-Q386 PolarHBondContact O-N 3Å
387	Q	95.5	Very high	96.3	Very high	102 Å²	102	64.1 Å²	64.1	48%	0.477	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-87.4	-6.1	178.4	-55.4	-169	53.5	0	0	113.4	P361 I363 T364 C385	P361-Q387 PolarHBondContact O-NE2 3.12Å; I363-Q387 WeakPolarHBondContact O-CB 3.49Å; T364-Q387 HydrophobicContact CG2-CB 3.9Å; C385-Q387 PolarHBondContact O-N 3.25Å
388	V	96.6	Very high	96.1	Very high	7 Å²	7	67.7 Å²	67.7	4%	0.042	32%	0.322	C	S	.	.			trans	-82.4	128.2	172.7	176.1	0	0	0	0	109.6	I363 L368 L382 C385 I393 F409	I363-V388 HydrophobicContact CG2-CG2 3.97Å; L368-V388 HydrophobicContact CD1-CG1 3.72Å; L382-V388 HydrophobicContact CD1-CG1 4.15Å; C385-V388 HydrophobicContact CB-CB 4.25Å; C385-V388 HydrophobicContact CB-CG2 3.76Å; C385-V388 WeakPolarHBondContact O-CB 3.43Å; C385-V388 PolarHBondContact O-N 3.21Å; V388-I393 HydrophobicContact CG1-CD1 4.11Å; V388-I393 HydrophobicContact CG1-CG1 3.91Å; V388-F409 WeakPolarHBondContact O-CE1 3.36Å
389	T	96.5	Very high	96	Very high	58 Å²	58	67.1 Å²	67.1	36%	0.356	32%	0.319	S	S	.	.			trans	-100	156.8	-176.5	82.2	0	0	0	0	112.2	D365 A391 G392 I393	D365-T389 VanDerWaalsContact CG-OG1 3.31Å; D365-T389 PolarHBondContact OD1-N 2.89Å; D365-T389 PolarHBondContact OD1-OG1 3.12Å; D365-T389 PolarHBondContact OD2-OG1 3.44Å; T389-A391 PolarHBondContact O-N 3.29Å; T389-A391 PolarHBondContact OG1-N 3.46Å; T389-G392 PolarHBondContact O-N 3.45Å; T389-G392 PolarHBondContact OG1-N 2.89Å; T389-I393 PolarHBondContact O-N 3.39Å
390	R	95.2	Very high	95.8	Very high	137 Å²	137	64 Å²	64	52%	0.517	31%	0.309	S	S	.	.	H	α-helix	trans	-57.9	-27.9	169	-67	-177.5	178.6	176	-0.5	112.3	K394 F409	R390-K394 VanDerWaalsContact O-CG 3.31Å; R390-K394 WeakPolarHBondContact O-CG 3.42Å; R390-K394 PolarHBondContact O-N 2.55Å; R390-K394 VanDerWaalsContact O-N 3.14Å; R390-F409 HydrophobicContact CG-CD1 3.66Å; R390-F409 HydrophobicContact CG-CD2 3.91Å; R390-F409 HydrophobicContact CG-CE1 3.66Å; R390-F409 HydrophobicContact CG-CE2 3.92Å; R390-F409 HydrophobicContact CG-CG 3.78Å; R390-F409 HydrophobicContact CG-CZ 3.79Å
391	A	95.6	Very high	95.5	Very high	47 Å²	47	69 Å²	69	39%	0.388	34%	0.341	S	S	.	.	H	α-helix	trans	-72.4	-43.4	178.4	0	0	0	0	0	111.1	T389 K394 R395	T389-A391 PolarHBondContact O-N 3.29Å; T389-A391 PolarHBondContact OG1-N 3.46Å; A391-K394 PolarHBondContact O-N 2.84Å; A391-R395 WeakPolarHBondContact O-CG 3.26Å; A391-R395 PolarHBondContact O-N 3.41Å
392	G	96.4	Very high	95.2	Very high	0 Å²	0	75 Å²	75	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-57.2	-48.1	173.2	0	0	0	0	0	112.5	D365 L368 T389 K394 R395 I396	D365-G392 WeakPolarHBondContact OD2-CA 3.45Å; D365-G392 PolarHBondContact OD2-N 3.18Å; L368-G392 VanDerWaalsContact CD1-C 3.42Å; T389-G392 PolarHBondContact O-N 3.45Å; T389-G392 PolarHBondContact OG1-N 2.89Å; G392-K394 VanDerWaalsContact C-N 3.31Å; G392-K394 PolarHBondContact O-N 3.44Å; G392-R395 WeakPolarHBondContact O-CB 3.29Å; G392-R395 PolarHBondContact O-N 3.31Å; G392-I396 PolarHBondContact O-N 3.08Å
393	I	96.3	Very high	95.2	Very high	11 Å²	11	75.4 Å²	75.4	6%	0.056	38%	0.376	C	S	.	.	H	α-helix	trans	-62	-39.1	177.9	-63.5	-179.6	0	0	0	111.9	L368 V388 T389 R395 I396 R397 V405 A407 F409	L368-I393 HydrophobicContact CD1-CG1 3.84Å; V388-I393 HydrophobicContact CG1-CD1 4.11Å; V388-I393 HydrophobicContact CG1-CG1 3.91Å; T389-I393 PolarHBondContact O-N 3.39Å; I393-R395 VanDerWaalsContact C-N 3.34Å; I393-I396 VanDerWaalsContact O-CG2 3.29Å; I393-I396 WeakPolarHBondContact O-CG2 3.36Å; I393-R397 HydrophobicContact CG2-CG 4.5Å; I393-R397 WeakPolarHBondContact O-CG 3.17Å; I393-R397 PolarHBondContact O-N 3.46Å; I393-R397 VanDerWaalsContact O-N 3.14Å; I393-V405 HydrophobicContact CD1-CG1 3.96Å; I393-V405 HydrophobicContact CG1-CG1 4.08Å; I393-V405 HydrophobicContact CG2-CB 4Å; I393-V405 HydrophobicContact CG2-CG1 3.91Å; I393-V405 HydrophobicContact CG2-CG2 4.33Å; I393-A407 HydrophobicContact CD1-CB 3.73Å; I393-F409 HydrophobicContact CD1-CE2 3.47Å; I393-F409 VanDerWaalsContact CD1-CE2 3.47Å; I393-F409 HydrophobicContact CD1-CZ 3.44Å; I393-F409 VanDerWaalsContact CD1-CZ 3.44Å; I393-F409 HydrophobicContact CG1-CZ 4.45Å
394	K	95.6	Very high	95.3	Very high	157 Å²	157	77.6 Å²	77.6	68%	0.683	39%	0.387	S	S	*	.	H	α-helix	trans	-62.9	-40.3	173.9	-78.1	178.9	179.1	-173.8	0	111.9	R390 A391 G392 A398	R390-K394 VanDerWaalsContact O-CG 3.31Å; R390-K394 WeakPolarHBondContact O-CG 3.42Å; R390-K394 PolarHBondContact O-N 2.55Å; R390-K394 VanDerWaalsContact O-N 3.14Å; A391-K394 PolarHBondContact O-N 2.84Å; G392-K394 VanDerWaalsContact C-N 3.31Å; G392-K394 PolarHBondContact O-N 3.44Å; K394-A398 PolarHBondContact O-N 3.38Å; K394-A398 VanDerWaalsContact O-N 3.08Å
395	R	96.5	Very high	95.4	Very high	101 Å²	101	74 Å²	74	38%	0.381	37%	0.368	S	S	.	.	H	α-helix	trans	-65.1	-43.7	179.3	-71.9	-169.9	-59.5	-85.6	-0.6	112.3	D365 E369 A391 G392 I393 A398 Q399	D365-R395 IonicContact OD2-CZ 2.84Å; D365-R395 IonicContact OD2-NH1 2.58Å; D365-R395 IonicContact OD2-NH2 3.83Å; D365-R395 PolarHBondContact OD2-NH2 3.5Å; E369-R395 IonicContact OE1-CZ 2.78Å; E369-R395 IonicContact OE1-NE 3.55Å; E369-R395 PolarHBondContact OE1-NE 3.25Å; E369-R395 IonicContact OE1-NH2 2.97Å; A391-R395 WeakPolarHBondContact O-CG 3.26Å; A391-R395 PolarHBondContact O-N 3.41Å; G392-R395 WeakPolarHBondContact O-CB 3.29Å; G392-R395 PolarHBondContact O-N 3.31Å; I393-R395 VanDerWaalsContact C-N 3.34Å; R395-A398 PolarHBondContact O-N 3.12Å; R395-Q399 PolarHBondContact O-N 3.39Å
396	I	96.5	Very high	95.4	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-68.7	-40.5	178.6	-167.5	171.5	0	0	0	111.9	L368 L371 K372 I380 G392 I393 A398 Q399 L400 I403 V405	L368-I396 HydrophobicContact CB-CB 4.4Å; L368-I396 HydrophobicContact CB-CD1 4.37Å; L368-I396 HydrophobicContact CD1-CG2 4.45Å; L368-I396 HydrophobicContact CD2-CD1 4.2Å; L371-I396 HydrophobicContact CB-CD1 4.02Å; K372-I396 HydrophobicContact CG-CG1 4.39Å; I380-I396 HydrophobicContact CD1-CD1 3.61Å; G392-I396 PolarHBondContact O-N 3.08Å; I393-I396 VanDerWaalsContact O-CG2 3.29Å; I393-I396 WeakPolarHBondContact O-CG2 3.36Å; I396-A398 PolarHBondContact O-N 3.06Å; I396-Q399 PolarHBondContact O-N 3.19Å; I396-L400 HydrophobicContact CG1-CD1 4.23Å; I396-L400 PolarHBondContact O-N 2.84Å; I396-I403 HydrophobicContact CD1-CD1 4.19Å; I396-I403 HydrophobicContact CG1-CD1 4.5Å; I396-V405 HydrophobicContact CG2-CG2 4.18Å
397	R	96.3	Very high	95.3	Very high	123 Å²	123	69.4 Å²	69.4	46%	0.464	35%	0.351	S	S	.	.	H	α-helix	trans	-64.3	-28	175.1	-72	180	-178.8	-171.5	0.8	113.3	I393 Q399 L400 P401 I403 V405	I393-R397 HydrophobicContact CG2-CG 4.5Å; I393-R397 WeakPolarHBondContact O-CG 3.17Å; I393-R397 PolarHBondContact O-N 3.46Å; I393-R397 VanDerWaalsContact O-N 3.14Å; R397-Q399 VanDerWaalsContact C-N 3.31Å; R397-L400 CarbonylContact O-C 3.3Å; R397-P401 WeakPolarHBondContact O-CA 3.02Å; R397-I403 HydrophobicContact CG-CG2 3.97Å; R397-V405 HydrophobicContact CG-CG2 4.24Å; R397-V405 PolarHBondContact NH2-O 2.97Å
398	A	95.2	Very high	94.9	Very high	82 Å²	82	71.6 Å²	71.6	68%	0.678	36%	0.356	S	S	*	.	H	α-helix	trans	-69.4	-31.1	173	0	0	0	0	0	112.2	K394 R395 I396	K394-A398 PolarHBondContact O-N 3.38Å; K394-A398 VanDerWaalsContact O-N 3.08Å; R395-A398 PolarHBondContact O-N 3.12Å; I396-A398 PolarHBondContact O-N 3.06Å
399	Q	94.8	Very high	93.8	Very high	113 Å²	113	74.5 Å²	74.5	53%	0.528	37%	0.368	S	S	.	.	H	α-helix	trans	-86.2	-35.3	178.7	-171.3	62.9	33.8	0	0	112.7	K372 R395 I396 R397	K372-Q399 HydrophobicContact CB-CG 4.15Å; K372-Q399 HydrophobicContact CD-CB 4.44Å; K372-Q399 HydrophobicContact CD-CG 4.38Å; K372-Q399 HydrophobicContact CG-CB 4.26Å; K372-Q399 HydrophobicContact CG-CG 4.14Å; R395-Q399 PolarHBondContact O-N 3.39Å; I396-Q399 PolarHBondContact O-N 3.19Å; R397-Q399 VanDerWaalsContact C-N 3.31Å
400	L	94.9	Very high	92.2	Very high	17 Å²	17	74.9 Å²	74.9	9%	0.089	38%	0.377	C	S	.	.	S	Bend	trans	-123.4	87.5	-179.3	-59.8	176	0	0	0	108.1	I396 R397 D402 I403	I396-L400 HydrophobicContact CG1-CD1 4.23Å; I396-L400 PolarHBondContact O-N 2.84Å; R397-L400 CarbonylContact O-C 3.3Å; L400-D402 VanDerWaalsContact C-N 3.32Å; L400-D402 PolarHBondContact O-N 3Å; L400-I403 HydrophobicContact CB-CB 3.96Å; L400-I403 HydrophobicContact CB-CD1 4.44Å; L400-I403 HydrophobicContact CB-CG2 3.96Å; L400-I403 HydrophobicContact CD1-CD1 3.89Å; L400-I403 WeakPolarHBondContact O-CG2 3.36Å; L400-I403 PolarHBondContact O-N 3.43Å
401	P	91.1	Very high	90.4	Very high	104 Å²	104	72.9 Å²	72.9	68%	0.675	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-32.4	-169.5	-24.6	35	0	0	0	114.6	R397 I403	R397-P401 WeakPolarHBondContact O-CA 3.02Å; P401-I403 VanDerWaalsContact C-N 3.33Å
402	D	92.6	Very high	88.6	Confident	153 Å²	153	76.7 Å²	76.7	82%	0.818	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-1.5	-175.8	-62	-45	0	0	0	113.2	L400 K404	L400-D402 VanDerWaalsContact C-N 3.32Å; L400-D402 PolarHBondContact O-N 3Å; D402-K404 PolarHBondContact O-N 3.17Å
403	I	96.4	Very high	86.5	Confident	12 Å²	12	82.7 Å²	82.7	6%	0.062	44%	0.437	C	S	.	.			trans	-71.2	131	-176	-160.9	171.5	0	0	0	112.1	L377 I380 I396 R397 L400 P401 V405	L377-I403 HydrophobicContact CB-CD1 4.18Å; L377-I403 HydrophobicContact CD2-CD1 3.85Å; L377-I403 HydrophobicContact CG-CD1 3.87Å; I380-I403 HydrophobicContact CD1-CD1 3.49Å; I380-I403 VanDerWaalsContact CD1-CD1 3.49Å; I380-I403 HydrophobicContact CG1-CD1 3.76Å; I380-I403 HydrophobicContact CG1-CG1 4.38Å; I396-I403 HydrophobicContact CD1-CD1 4.19Å; I396-I403 HydrophobicContact CG1-CD1 4.5Å; R397-I403 HydrophobicContact CG-CG2 3.97Å; L400-I403 HydrophobicContact CB-CB 3.96Å; L400-I403 HydrophobicContact CB-CD1 4.44Å; L400-I403 HydrophobicContact CB-CG2 3.96Å; L400-I403 HydrophobicContact CD1-CD1 3.89Å; L400-I403 WeakPolarHBondContact O-CG2 3.36Å; L400-I403 PolarHBondContact O-N 3.43Å; P401-I403 VanDerWaalsContact C-N 3.33Å; I403-V405 HydrophobicContact CG1-CG2 4.43Å; I403-V405 HydrophobicContact CG2-CG2 4Å
404	K	97.4	Very high	84.3	Confident	137 Å²	137	87.3 Å²	87.3	60%	0.596	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	103.2	172.3	-63.6	176.6	-173.8	169.3	0	109.3	E378 R379 I380 D402	E378-K404 PolarHBondContact O-N 3.12Å; R379-K404 CarbonylContact C-O 3.51Å; R379-K404 WeakPolarHBondContact CA-O 3.4Å; I380-K404 PolarHBondContact N-O 2.81Å; D402-K404 PolarHBondContact O-N 3.17Å
405	V	96.4	Very high	82.1	Confident	6 Å²	6	85.2 Å²	85.2	4%	0.036	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	115.1	171.2	-171.5	0	0	0	0	109.1	I380 L382 I393 I396 R397 I403	I380-V405 WeakPolarHBondContact O-CA 3.39Å; L382-V405 HydrophobicContact CD1-CG1 3.71Å; I393-V405 HydrophobicContact CD1-CG1 3.96Å; I393-V405 HydrophobicContact CG1-CG1 4.08Å; I393-V405 HydrophobicContact CG2-CB 4Å; I393-V405 HydrophobicContact CG2-CG1 3.91Å; I393-V405 HydrophobicContact CG2-CG2 4.33Å; I396-V405 HydrophobicContact CG2-CG2 4.18Å; R397-V405 HydrophobicContact CG-CG2 4.24Å; R397-V405 PolarHBondContact NH2-O 2.97Å; I403-V405 HydrophobicContact CG1-CG2 4.43Å; I403-V405 HydrophobicContact CG2-CG2 4Å
406	H	94.4	Very high	79.7	Confident	61 Å²	61	85.5 Å²	85.5	28%	0.282	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.4	174.9	-60.4	150.5	0	0	0	109.3	I380 E381 L382 Y383	I380-H406 PolarHBondContact O-N 3.32Å; E381-H406 HydrophobicContact CG-CB 4.25Å; E381-H406 IonicContact OE1-CE1 2.72Å; E381-H406 IonicContact OE1-ND1 3.85Å; E381-H406 PolarHBondContact OE1-ND1 2.61Å; E381-H406 VanDerWaalsContact OE1-ND1 3.09Å; L382-H406 PolarHBondContact N-O 3.38Å; Y383-H406 HydrophobicContact CE2-CB 3.81Å
407	A	91.8	Very high	77.5	Confident	29 Å²	29	89.7 Å²	89.7	24%	0.24	51%	0.514	C	S	.	.			trans	-152.6	144.8	178.6	0	0	0	0	0	109.2	L382 I393 F409	L382-A407 HydrophobicContact CB-CB 4.16Å; I393-A407 HydrophobicContact CD1-CB 3.73Å; A407-F409 HydrophobicContact CB-CE2 3.85Å; A407-F409 HydrophobicContact CB-CZ 4.4Å
408	Y	86.4	Confident	75.3	Confident	148 Å²	148	90.3 Å²	90.3	58%	0.58	53%	0.531	S	S	*	.			trans	-96.6	123.7	172	-176.4	-105.9	0	0	0	110.2	A410	Y408-A410 HydrophobicContact CE1-CB 3.81Å
409	F	73.9	Confident	72.9	Confident	69 Å²	69	94.7 Å²	94.7	30%	0.303	54%	0.538	S	S	.	.			trans	-113.1	106.5	166.1	-65.9	-83.7	0	0	0	107.4	V388 R390 I393 A407	V388-F409 WeakPolarHBondContact O-CE1 3.36Å; R390-F409 HydrophobicContact CG-CD1 3.66Å; R390-F409 HydrophobicContact CG-CD2 3.91Å; R390-F409 HydrophobicContact CG-CE1 3.66Å; R390-F409 HydrophobicContact CG-CE2 3.92Å; R390-F409 HydrophobicContact CG-CG 3.78Å; R390-F409 HydrophobicContact CG-CZ 3.79Å; I393-F409 HydrophobicContact CD1-CE2 3.47Å; I393-F409 VanDerWaalsContact CD1-CE2 3.47Å; I393-F409 HydrophobicContact CD1-CZ 3.44Å; I393-F409 VanDerWaalsContact CD1-CZ 3.44Å; I393-F409 HydrophobicContact CG1-CZ 4.45Å; A407-F409 HydrophobicContact CB-CE2 3.85Å; A407-F409 HydrophobicContact CB-CZ 4.4Å
410	A	62.2	Low	70.5	Confident	65 Å²	65	93.1 Å²	93.1	54%	0.537	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-48.2	132.7	171.7	0	0	0	0	0	109.2	Y408 V412	Y408-A410 HydrophobicContact CE1-CB 3.81Å; A410-V412 PolarHBondContact O-N 3Å
411	P	58.8	Low	68.3	Low	96 Å²	96	96.7 Å²	96.7	62%	0.623	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-56.7	137.5	171	22.8	-30	0	0	0	108.2	T413	P411-T413 PolarHBondContact O-N 3.18Å
412	V	56.2	Low	65.8	Low	126 Å²	126	94.8 Å²	94.8	76%	0.764	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-53	118.5	-179.7	-165	0	0	0	0	107.5	A410 P414	A410-V412 PolarHBondContact O-N 3Å; V412-P414 WeakPolarHBondContact O-CD 3.47Å; V412-P414 VanDerWaalsContact O-N 3.16Å
413	T	53.9	Low	63.7	Low	126 Å²	126	97.3 Å²	97.3	77%	0.773	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-55.6	123.1	172.7	-9.8	0	0	0	0	106.6	P411	P411-T413 PolarHBondContact O-N 3.18Å
414	P	49.2	Very low	61	Low	109 Å²	109	107 Å²	107	71%	0.708	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-52.8	137.4	177.6	-22.8	30.9	0	0	0	108.7	V412	V412-P414 WeakPolarHBondContact O-CD 3.47Å; V412-P414 VanDerWaalsContact O-N 3.16Å
415	P	50.4	Low	58.4	Low	113 Å²	113	108.6 Å²	108.6	73%	0.734	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-53.6	141.3	176.7	21.7	-31.1	0	0	0	108.7	S417	P415-S417 PolarHBondContact O-N 2.61Å
416	P	45.5	Very low	55.7	Low	106 Å²	106	112.4 Å²	112.4	69%	0.688	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-55.1	117.8	178.8	21.1	-30.4	0	0	0	108.4	V418	P416-V418 PolarHBondContact O-N 2.79Å
417	S	50.5	Low	53.3	Low	89 Å²	89	120.9 Å²	120.9	62%	0.622	70%	0.704	S	S	*	*			trans	-56.6	112.4	176.3	51.1	0	0	0	0	108.5	P415 H419	P415-S417 PolarHBondContact O-N 2.61Å; S417-H419 PolarHBondContact O-N 3.29Å
418	V	49.4	Very low	51	Low	136 Å²	136	124.7 Å²	124.7	82%	0.824	73%	0.728	S	S	*	*			trans	-74.3	66.8	178.6	-169.7	0	0	0	0	109.1	P416	P416-V418 PolarHBondContact O-N 2.79Å
419	H	44.5	Very low	48.6	Very low	174 Å²	174	122.9 Å²	122.9	81%	0.806	74%	0.735	S	S	*	*			trans	-141.9	114	172	-77.3	67.9	0	0	0	109.9	S417	S417-H419 PolarHBondContact O-N 3.29Å
420	G	43.8	Very low	47	Very low	79 Å²	79	126.9 Å²	126.9	81%	0.814	76%	0.758	S	S	*	*			trans	71.7	118.9	145.6	0	0	0	0	0	118.3
421	G	48.9	Very low	45.9	Very low	92 Å²	92	131.6 Å²	131.6	95%	0.948	77%	0.773	S	S	*	*			trans	-58.2	135	174.2	0	0	0	0	0	114.1
422	G	38.8	Very low	44.7	Very low	64 Å²	64	138.8 Å²	138.8	66%	0.66	81%	0.805	S	S	*	*			trans	-172	126.8	168.4	0	0	0	0	0	108.3	R424	G422-R424 PolarHBondContact O-N 3.08Å
423	Q	48.4	Very low	44.1	Very low	206 Å²	206	139.5 Å²	139.5	96%	0.963	81%	0.807	S	S	*	*			trans	-48.3	120.8	-175.1	-76	171.2	-29.8	0	0	111.8	L425	Q423-L425 PolarHBondContact O-N 2.56Å
424	R	40.7	Very low	43.6	Very low	215 Å²	215	140.2 Å²	140.2	81%	0.811	81%	0.809	S	S	*	*			trans	-85.5	102.3	178.4	-69.5	-176.8	177.4	-166.2	-0.9	109.8	G422	G422-R424 PolarHBondContact O-N 3.08Å
425	L	42.9	Very low	43.3	Very low	172 Å²	172	141.9 Å²	141.9	90%	0.901	81%	0.814	S	S	*	*			trans	-70.6	122.4	153.1	-82.7	155.8	0	0	0	108	Q423 R427	Q423-L425 PolarHBondContact O-N 2.56Å; L425-R427 PolarHBondContact O-N 3.17Å
426	C	38.5	Very low	42.9	Very low	86 Å²	86	143.6 Å²	143.6	58%	0.581	82%	0.819	S	S	*	*			trans	-67.7	123.5	174.2	-172.3	0	0	0	0	109.6	C428	C426-C428 PolarHBondContact O-N 3.27Å; C426-C428 VanDerWaalsContact O-N 3.16Å; C426-C428 PolarHBondContact SG-SG 2.64Å
427	R	44.3	Very low	42.7	Very low	238 Å²	238	145.9 Å²	145.9	90%	0.898	83%	0.827	S	S	*	*	G	3₁₀ helix	trans	-74.4	9.9	176.6	-91.5	-174.6	175.3	-172.8	-1.4	114.1	L425 C429	L425-R427 PolarHBondContact O-N 3.17Å; R427-C429 VanDerWaalsContact C-N 3.3Å; R427-C429 PolarHBondContact O-N 2.58Å
428	C	43.3	Very low	42.2	Very low	110 Å²	110	149.7 Å²	149.7	74%	0.743	84%	0.841	S	S	*	*	G	3₁₀ helix	trans	-82.5	-0.1	176.6	-56.7	0	0	0	0	114	C426	C426-C428 PolarHBondContact O-N 3.27Å; C426-C428 VanDerWaalsContact O-N 3.16Å; C426-C428 PolarHBondContact SG-SG 2.64Å
429	C	37.3	Very low	41.7	Very low	110 Å²	110	150.7 Å²	150.7	74%	0.743	84%	0.842	S	S	*	*	G	3₁₀ helix	trans	-108	25.7	-178.8	-60.8	0	0	0	0	115.1	R427	R427-C429 VanDerWaalsContact C-N 3.3Å; R427-C429 PolarHBondContact O-N 2.58Å
430	I	38.7	Very low	41.5	Very low	153 Å²	153	148.9 Å²	148.9	79%	0.785	85%	0.845	S	S	*	*	S	Bend	trans	-121.1	20.4	174	-58.7	177	0	0	0	112
431	I	39.8	Very low	41.3	Very low	164 Å²	164	154.8 Å²	154.8	84%	0.841	85%	0.847	S	S	*	*			trans	-137.6	74.2	161.6	-52.4	178.7	0	0	0	107.8
432	L	34.2	Very low	40.6	Very low	247 Å²	247	160.5 Å²	160.5	100%	1.293	84%	0.838	S	S	*	*			trans	-147.8	0	149.8	-95.5	171.6	0	0	0	107

Retrieved 432 of 432 residues in 135.3 ms (Link to these results)

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