A0A087YQ21_POEFO Loading...

Leucine-rich repeat transmembrane protein FLRT3

AlphaFold DB (A0A3B3UAA8), UniProt , Accession A0A087YQ21, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 650 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	44	Very low	44.7	Very low	243 Å²	243	152.4 Å²	152.4	100%	1.197	75%	0.749	S	S	*	*				0	53.3	0	-80.6	-176.5	147.1	0	0	111.9
2	L	40.4	Very low	45.1	Very low	178 Å²	178	148.2 Å²	148.2	93%	0.932	73%	0.731	S	S	*	*			trans	-133	32.6	-177.8	-119.7	101.6	0	0	0	112.4
3	R	37.6	Very low	45.6	Very low	233 Å²	233	144.6 Å²	144.6	88%	0.879	72%	0.715	S	S	*	*	S	Bend	trans	-126.6	-5.2	177.6	-100.4	-177.5	176.3	-176.1	-1.3	115.2
4	H	42.7	Very low	45.8	Very low	174 Å²	174	147.4 Å²	147.4	81%	0.806	71%	0.713	S	S	*	*	S	Bend	trans	-101.9	-6.1	-179.5	-78.6	-36.7	0	0	0	116
5	C	38.3	Very low	46.1	Very low	108 Å²	108	142.6 Å²	142.6	73%	0.73	69%	0.691	S	S	*	*	H	α-helix	trans	-88.3	-17.3	178.9	-150.9	0	0	0	0	114.1
6	K	40.6	Very low	45.9	Very low	181 Å²	181	136.7 Å²	136.7	79%	0.787	68%	0.679	S	S	*	*	H	α-helix	trans	-85.4	-21.9	177.8	-85.2	-175.7	173.7	-179.1	0	114.1	L10	K6-L10 WeakPolarHBondContact O-CD1 3.24Å
7	S	45.6	Very low	45.8	Very low	84 Å²	84	136.5 Å²	136.5	59%	0.587	68%	0.68	S	S	*	*	H	α-helix	trans	-81	-26.6	-179.5	-161	0	0	0	0	113	F11	S7-F11 PolarHBondContact O-N 3.35Å
8	F	48.2	Very low	45.7	Very low	144 Å²	144	136.7 Å²	136.7	63%	0.632	68%	0.683	S	S	*	*	H	α-helix	trans	-78.8	-34.8	-178.8	-151.8	-99.7	0	0	0	112.2	F11 L12	F8-F11 PolarHBondContact O-N 3.44Å; F8-L12 HydrophobicContact CD1-CD1 3.84Å; F8-L12 HydrophobicContact CE1-CD1 3.89Å; F8-L12 PolarHBondContact O-N 3.18Å
9	V	50.6	Low	45.6	Very low	82 Å²	82	136.8 Å²	136.8	50%	0.497	69%	0.685	S	S	.	*	H	α-helix	trans	-71.4	-36.8	177.4	180	0	0	0	0	111.6	I13	V9-I13 HydrophobicContact CG1-CD1 3.93Å; V9-I13 WeakPolarHBondContact O-CD1 3.44Å; V9-I13 VanDerWaalsContact O-CG1 3.24Å; V9-I13 WeakPolarHBondContact O-CG1 3.5Å; V9-I13 PolarHBondContact O-N 3.17Å; V9-I13 VanDerWaalsContact O-N 3.12Å
10	L	50.6	Low	45.3	Very low	114 Å²	114	132.8 Å²	132.8	60%	0.597	68%	0.681	S	S	*	*	H	α-helix	trans	-71.7	-28.2	174.8	-98.8	113.9	0	0	0	113.6	K6 R14	K6-L10 WeakPolarHBondContact O-CD1 3.24Å; L10-R14 PolarHBondContact O-N 3.12Å; L10-R14 VanDerWaalsContact O-N 3.17Å
11	F	53.6	Low	45.3	Very low	135 Å²	135	133.7 Å²	133.7	59%	0.592	69%	0.686	S	S	*	*	H	α-helix	trans	-72.6	-39.1	175.9	-166.8	-106.3	0	0	0	111.5	S7 F8 R14 I15	S7-F11 PolarHBondContact O-N 3.35Å; F8-F11 PolarHBondContact O-N 3.44Å; F11-R14 PolarHBondContact O-N 2.91Å; F11-I15 HydrophobicContact CD1-CD1 3.68Å; F11-I15 HydrophobicContact CE1-CD1 3.3Å; F11-I15 HydrophobicContact CE1-CG1 4.46Å; F11-I15 HydrophobicContact CG-CD1 4.46Å; F11-I15 HydrophobicContact CZ-CD1 3.81Å; F11-I15 WeakPolarHBondContact O-CG1 3.48Å; F11-I15 PolarHBondContact O-N 3.37Å
12	L	48.8	Very low	45.2	Very low	102 Å²	102	125.9 Å²	125.9	53%	0.534	66%	0.66	S	S	.	*	H	α-helix	trans	-68.8	-34.4	174.2	-73.5	166.5	0	0	0	112.8	F8 G16	F8-L12 HydrophobicContact CD1-CD1 3.84Å; F8-L12 HydrophobicContact CE1-CD1 3.89Å; F8-L12 PolarHBondContact O-N 3.18Å; L12-G16 PolarHBondContact O-N 3.05Å
13	I	51.8	Low	45.3	Very low	102 Å²	102	124 Å²	124	52%	0.523	65%	0.651	S	S	.	*	H	α-helix	trans	-70.4	-32.6	175.2	-66.3	165.8	0	0	0	111.5	V9 L17	V9-I13 HydrophobicContact CG1-CD1 3.93Å; V9-I13 WeakPolarHBondContact O-CD1 3.44Å; V9-I13 VanDerWaalsContact O-CG1 3.24Å; V9-I13 WeakPolarHBondContact O-CG1 3.5Å; V9-I13 PolarHBondContact O-N 3.17Å; V9-I13 VanDerWaalsContact O-N 3.12Å; I13-L17 PolarHBondContact O-N 3.07Å
14	R	48.2	Very low	45.7	Very low	184 Å²	184	118.4 Å²	118.4	69%	0.694	65%	0.645	S	S	*	*	H	α-helix	trans	-76.5	-31	175	-79.7	-168.6	175.7	-163.1	-0.5	113.9	L10 F11 L18	L10-R14 PolarHBondContact O-N 3.12Å; L10-R14 VanDerWaalsContact O-N 3.17Å; F11-R14 PolarHBondContact O-N 2.91Å; R14-L18 PolarHBondContact O-N 3.24Å
15	I	50.2	Low	45.5	Very low	75 Å²	75	117.6 Å²	117.6	39%	0.385	65%	0.646	S	S	.	*	H	α-helix	trans	-74.7	-34.6	171.7	-68.3	171.4	0	0	0	110.6	F11 L17 L18 L19	F11-I15 HydrophobicContact CD1-CD1 3.68Å; F11-I15 HydrophobicContact CE1-CD1 3.3Å; F11-I15 HydrophobicContact CE1-CG1 4.46Å; F11-I15 HydrophobicContact CG-CD1 4.46Å; F11-I15 HydrophobicContact CZ-CD1 3.81Å; F11-I15 WeakPolarHBondContact O-CG1 3.48Å; F11-I15 PolarHBondContact O-N 3.37Å; I15-L17 VanDerWaalsContact C-N 3.31Å; I15-L17 PolarHBondContact O-N 3.36Å; I15-L18 PolarHBondContact O-N 3.45Å; I15-L19 HydrophobicContact CG2-CD1 4.21Å; I15-L19 PolarHBondContact O-N 3.32Å
16	G	44	Very low	45.6	Very low	48 Å²	48	118.7 Å²	118.7	50%	0.495	65%	0.649	S	S	.	*	H	α-helix	trans	-64.5	-30.9	171.2	0	0	0	0	0	113.9	L12	L12-G16 PolarHBondContact O-N 3.05Å
17	L	44	Very low	45.6	Very low	133 Å²	133	116 Å²	116	70%	0.696	65%	0.648	S	S	*	*	H	α-helix	trans	-82.5	-18.8	176.7	-119.2	91.2	0	0	0	114.5	I13 I15	I13-L17 PolarHBondContact O-N 3.07Å; I15-L17 VanDerWaalsContact C-N 3.31Å; I15-L17 PolarHBondContact O-N 3.36Å
18	L	43.8	Very low	45.8	Very low	141 Å²	141	116.8 Å²	116.8	74%	0.738	65%	0.653	S	S	*	*	H	α-helix	trans	-93.2	-14.4	176.8	-81.5	162.2	0	0	0	113.4	R14 I15 G20	R14-L18 PolarHBondContact O-N 3.24Å; I15-L18 PolarHBondContact O-N 3.45Å; L18-G20 VanDerWaalsContact C-N 3.31Å
19	L	43.2	Very low	46.3	Very low	138 Å²	138	112 Å²	112	72%	0.723	64%	0.64	S	S	*	*	S	Bend	trans	-86.5	-1.8	165.3	-79.1	157.8	0	0	0	113	I15	I15-L19 HydrophobicContact CG2-CD1 4.21Å; I15-L19 PolarHBondContact O-N 3.32Å
20	G	40	Very low	47.5	Very low	57 Å²	57	112.7 Å²	112.7	59%	0.588	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	6.6	176.1	0	0	0	0	0	115.4	L18	L18-G20 VanDerWaalsContact C-N 3.31Å
21	L	45	Very low	49.4	Very low	151 Å²	151	109.4 Å²	109.4	79%	0.791	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.8	32.3	174.3	-73.1	170.8	0	0	0	111.6	N23	L21-N23 PolarHBondContact O-N 3.35Å
22	A	41.2	Very low	51.3	Low	80 Å²	80	103.5 Å²	103.5	66%	0.661	61%	0.61	S	S	*	*	S	Bend	trans	-68.4	115.3	146.3	0	0	0	0	0	105.3
23	N	43.7	Very low	53.4	Low	139 Å²	139	105 Å²	105	74%	0.743	63%	0.628	S	S	*	*			trans	-35.4	139.4	163.5	-77	-31.1	0	0	0	108.4	L21 L25	L21-N23 PolarHBondContact O-N 3.35Å; N23-L25 PolarHBondContact O-N 3.18Å
24	P	45	Very low	55.3	Low	114 Å²	114	102.2 Å²	102.2	74%	0.74	62%	0.621	S	S	*	*			trans	-55.3	107.8	158.3	26.3	-28.1	0	0	0	104	V26	P24-V26 PolarHBondContact O-N 3.2Å
25	L	38.7	Very low	57.5	Low	158 Å²	158	94.1 Å²	94.1	83%	0.827	59%	0.593	S	S	*	*			trans	-44.6	121.3	158.2	-101.5	90.9	0	0	0	103.4	N23 T27	N23-L25 PolarHBondContact O-N 3.18Å; L25-T27 PolarHBondContact O-N 3.44Å
26	V	41.8	Very low	59.6	Low	131 Å²	131	98 Å²	98	79%	0.794	60%	0.602	S	S	*	*			trans	-8.1	103.9	165.1	179.3	0	0	0	0	108.7	P24 S28	P24-V26 PolarHBondContact O-N 3.2Å; V26-S28 PolarHBondContact O-N 3.32Å
27	T	40.4	Very low	62.1	Low	124 Å²	124	97.4 Å²	97.4	76%	0.761	59%	0.59	S	S	*	*			trans	-55.2	98.1	168.2	40	0	0	0	0	104.7	L25 A29	L25-T27 PolarHBondContact O-N 3.44Å; T27-A29 PolarHBondContact O-N 2.96Å
28	S	49.6	Very low	64.4	Low	101 Å²	101	95 Å²	95	71%	0.706	58%	0.578	S	S	*	*			trans	-50.8	110.3	168.3	51.2	0	0	0	0	103.7	V26 S30	V26-S28 PolarHBondContact O-N 3.32Å; S28-S30 PolarHBondContact O-N 3.3Å
29	A	58.8	Low	66.6	Low	43 Å²	43	91.1 Å²	91.1	36%	0.355	57%	0.572	S	S	.	*			trans	-50.4	115.3	177.8	0	0	0	0	0	105.9	T27 C31	T27-A29 PolarHBondContact O-N 2.96Å; A29-C31 PolarHBondContact O-N 3Å
30	S	75.6	Confident	69	Low	96 Å²	96	86.6 Å²	86.6	67%	0.671	55%	0.55	S	S	*	*			trans	-62.4	129.3	-168.3	55	0	0	0	0	108	S28	S28-S30 PolarHBondContact O-N 3.3Å
31	C	91.1	Very high	71.7	Confident	46 Å²	46	88 Å²	88	31%	0.311	54%	0.54	S	S	.	.			trans	-44.5	132.8	174.1	-171.9	0	0	0	0	110.7	A29 S33 R36 C37	A29-C31 PolarHBondContact O-N 3Å; C31-S33 PolarHBondContact O-N 3.24Å; C31-R36 VanDerWaalsContact SG-C 3.56Å; C31-C37 VanDerWaalsContact CA-SG 3.54Å; C31-C37 HydrophobicContact CB-CB 3.66Å; C31-C37 WeakPolarHBondContact CB-SG 3.3Å; C31-C37 WeakPolarHBondContact SG-CB 3.29Å; C31-C37 PolarHBondContact SG-N 2.83Å; C31-C37 CovalentContact SG-SG 2.03Å; C31-C37 PolarHBondContact SG-SG 2.85Å
32	P	93.4	Very high	74.2	Confident	11 Å²	11	80.9 Å²	80.9	7%	0.071	50%	0.503	C	S	.	.			trans	-54.1	135.2	177.9	-24.5	32	0	0	0	110.6	A34 C35 P53 M56	P32-A34 PolarHBondContact O-N 3.38Å; P32-A34 VanDerWaalsContact O-N 3.12Å; P32-C35 HydrophobicContact CB-CB 4.27Å; P32-C35 CarbonylContact O-C 3.02Å; P32-C35 WeakPolarHBondContact O-CA 3.28Å; P32-C35 PolarHBondContact O-N 2.87Å; P32-C35 VanDerWaalsContact O-O 3.06Å; P32-P53 HydrophobicContact CB-CB 3.62Å; P32-P53 HydrophobicContact CB-CG 4.47Å; P32-P53 HydrophobicContact CG-CB 4.11Å; P32-M56 HydrophobicContact CG-CG 4.21Å
33	S	91.1	Very high	76.9	Confident	132 Å²	132	80.5 Å²	80.5	92%	0.923	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.9	-174.2	57.5	0	0	0	0	114	C31 C35	C31-S33 PolarHBondContact O-N 3.24Å; S33-C35 VanDerWaalsContact C-N 3.28Å
34	A	92.1	Very high	79.4	Confident	44 Å²	44	74 Å²	74	36%	0.364	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.9	174.6	0	0	0	0	0	112.9	P32 R47 L49 P53	P32-A34 PolarHBondContact O-N 3.38Å; P32-A34 VanDerWaalsContact O-N 3.12Å; A34-R47 WeakPolarHBondContact O-CD 3.36Å; A34-R47 PolarHBondContact O-NE 3.13Å; A34-L49 HydrophobicContact CB-CD2 4.1Å; A34-P53 HydrophobicContact CB-CG 4.34Å
35	C	95.3	Very high	81.9	Confident	15 Å²	15	70 Å²	70	10%	0.101	42%	0.423	C	S	.	.	S	Bend	trans	-113.5	167	-173.7	-58.7	0	0	0	0	112.2	P32 S33 Y43 C44	P32-C35 HydrophobicContact CB-CB 4.27Å; P32-C35 CarbonylContact O-C 3.02Å; P32-C35 WeakPolarHBondContact O-CA 3.28Å; P32-C35 PolarHBondContact O-N 2.87Å; P32-C35 VanDerWaalsContact O-O 3.06Å; S33-C35 VanDerWaalsContact C-N 3.28Å; C35-Y43 WeakPolarHBondContact CA-O 3.49Å; C35-Y43 WeakPolarHBondContact CB-O 2.96Å; C35-C44 HydrophobicContact CB-CB 4.13Å; C35-C44 WeakPolarHBondContact CB-SG 3.45Å; C35-C44 WeakPolarHBondContact SG-CB 3.49Å; C35-C44 CovalentContact SG-SG 2.03Å; C35-C44 PolarHBondContact SG-SG 3.14Å
36	R	94.8	Very high	84.6	Confident	155 Å²	155	66.9 Å²	66.9	59%	0.585	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.6	168.4	174.6	-179.1	166.5	-172.1	-7.4	108.3	C31 D38 Y43	C31-R36 VanDerWaalsContact SG-C 3.56Å; R36-D38 IonicContact NH2-OD2 3.32Å; R36-D38 PolarHBondContact NH2-OD2 3.42Å; R36-Y43 PolarHBondContact N-O 3.43Å; R36-Y43 WeakPolarHBondContact O-CA 3.45Å; R36-Y43 WeakPolarHBondContact O-CB 3.04Å; R36-Y43 PolarHBondContact O-N 3.43Å
37	C	94.8	Very high	87.1	Confident	37 Å²	37	65.2 Å²	65.2	25%	0.25	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.6	176.9	-53.7	0	0	0	0	108.8	C31 F41 I42	C31-C37 VanDerWaalsContact CA-SG 3.54Å; C31-C37 HydrophobicContact CB-CB 3.66Å; C31-C37 WeakPolarHBondContact CB-SG 3.3Å; C31-C37 WeakPolarHBondContact SG-CB 3.29Å; C31-C37 PolarHBondContact SG-N 2.83Å; C31-C37 CovalentContact SG-SG 2.03Å; C31-C37 PolarHBondContact SG-SG 2.85Å; C37-F41 WeakPolarHBondContact CA-O 3.28Å; C37-I42 HydrophobicContact CB-CD1 3.85Å; C37-I42 VanDerWaalsContact SG-CD1 3.53Å
38	D	93.1	Very high	89.8	Confident	82 Å²	82	61.4 Å²	61.4	44%	0.439	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	102.2	-180	-160	-18.2	0	0	0	108.7	R36 T40 F41 Y43	R36-D38 IonicContact NH2-OD2 3.32Å; R36-D38 PolarHBondContact NH2-OD2 3.42Å; D38-T40 PolarHBondContact O-N 3.5Å; D38-F41 PolarHBondContact N-O 2.92Å; D38-F41 WeakPolarHBondContact O-CB 3.42Å; D38-F41 PolarHBondContact O-N 3.49Å; D38-Y43 HydrophobicContact CB-CD2 4.44Å; D38-Y43 HydrophobicContact CB-CE2 3.87Å
39	G	90.7	Very high	92	Very high	59 Å²	59	57.7 Å²	57.7	61%	0.608	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	-124.7	-166.2	0	0	0	0	0	111.1	F41	G39-F41 VanDerWaalsContact C-N 3.34Å
40	T	93.8	Very high	93.8	Very high	44 Å²	44	60 Å²	60	27%	0.27	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	2.1	179.4	64.2	0	0	0	0	113.9	D38 D59 A60 T61 V62	D38-T40 PolarHBondContact O-N 3.5Å; T40-D59 WeakPolarHBondContact CB-O 3.4Å; T40-D59 VanDerWaalsContact CG2-O 3.24Å; T40-D59 WeakPolarHBondContact CG2-O 3.47Å; T40-A60 WeakPolarHBondContact O-CA 3.5Å; T40-T61 VanDerWaalsContact CB-OG1 3.28Å; T40-T61 WeakPolarHBondContact CB-OG1 3.37Å; T40-T61 HydrophobicContact CG2-CG2 4.18Å; T40-T61 PolarHBondContact O-N 3.28Å; T40-T61 PolarHBondContact O-OG1 2.95Å; T40-T61 PolarHBondContact OG1-OG1 2.95Å; T40-V62 PolarHBondContact O-N 3.31Å
41	F	96.8	Very high	94.8	Very high	86 Å²	86	58.2 Å²	58.2	38%	0.377	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128.1	179.9	-62	-92.2	0	0	0	110.8	C37 D38 G39 Y43 V62 F64	C37-F41 WeakPolarHBondContact CA-O 3.28Å; D38-F41 PolarHBondContact N-O 2.92Å; D38-F41 WeakPolarHBondContact O-CB 3.42Å; D38-F41 PolarHBondContact O-N 3.49Å; G39-F41 VanDerWaalsContact C-N 3.34Å; F41-Y43 HydrophobicContact CB-CD2 4.48Å; F41-Y43 HydrophobicContact CB-CE2 3.65Å; F41-V62 HydrophobicContact CD1-CB 3.68Å; F41-V62 HydrophobicContact CD1-CG1 4.22Å; F41-V62 HydrophobicContact CD1-CG2 3.97Å; F41-V62 HydrophobicContact CE1-CB 3.99Å; F41-V62 HydrophobicContact CE1-CG2 3.74Å; F41-F64 HydrophobicContact CB-CE2 4.3Å; F41-F64 AromaticContact CD1-CE2 3.88Å; F41-F64 HydrophobicContact CD1-CE2 3.88Å; F41-F64 HydrophobicContact CD1-CZ 4.37Å
42	I	96.6	Very high	95	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	113.9	-178.1	-46.8	-59.6	0	0	0	109.6	C37 P57 A60 V62 L63 F64	C37-I42 HydrophobicContact CB-CD1 3.85Å; C37-I42 VanDerWaalsContact SG-CD1 3.53Å; I42-P57 HydrophobicContact CD1-CB 4.48Å; I42-P57 HydrophobicContact CD1-CG 3.79Å; I42-A60 HydrophobicContact CD1-CB 4.05Å; I42-A60 HydrophobicContact CG1-CB 3.62Å; I42-V62 PolarHBondContact N-O 3.01Å; I42-L63 HydrophobicContact CB-CD2 3.65Å; I42-L63 HydrophobicContact CG1-CD2 3.56Å; I42-L63 HydrophobicContact CG2-CD2 4.36Å; I42-F64 PolarHBondContact O-N 3.37Å
43	Y	97.5	Very high	95	Very high	73 Å²	73	56.8 Å²	56.8	29%	0.286	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	98.8	-179.1	-58.8	-90.4	0	0	0	110.5	C35 R36 D38 F41 R47 F64	C35-Y43 WeakPolarHBondContact CA-O 3.49Å; C35-Y43 WeakPolarHBondContact CB-O 2.96Å; R36-Y43 PolarHBondContact N-O 3.43Å; R36-Y43 WeakPolarHBondContact O-CA 3.45Å; R36-Y43 WeakPolarHBondContact O-CB 3.04Å; R36-Y43 PolarHBondContact O-N 3.43Å; D38-Y43 HydrophobicContact CB-CD2 4.44Å; D38-Y43 HydrophobicContact CB-CE2 3.87Å; F41-Y43 HydrophobicContact CB-CD2 4.48Å; F41-Y43 HydrophobicContact CB-CE2 3.65Å; Y43-R47 PolarHBondContact O-NH1 3.28Å; Y43-R47 PolarHBondContact O-NH2 2.87Å; Y43-F64 HydrophobicContact CD1-CB 4.39Å; Y43-F64 AromaticContact CD1-CD2 3.58Å; Y43-F64 HydrophobicContact CD1-CD2 3.58Å; Y43-F64 HydrophobicContact CD1-CE2 4.07Å; Y43-F64 HydrophobicContact CD1-CG 4.13Å; Y43-F64 AromaticContact CE1-CD2 3.56Å; Y43-F64 HydrophobicContact CE1-CD2 3.56Å; Y43-F64 AromaticContact CE1-CE2 3.53Å; Y43-F64 HydrophobicContact CE1-CE2 3.53Å; Y43-F64 HydrophobicContact CE1-CG 4.33Å; Y43-F64 HydrophobicContact CE1-CZ 4.29Å; Y43-F64 HydrophobicContact CG-CD2 4.21Å; Y43-F64 AromaticContact CZ-CE2 3.86Å
44	C	97.1	Very high	95	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.007	32%	0.316	C	S	.	.			trans	-117.6	10.4	174.4	-64.6	0	0	0	0	111.9	C35 R47 L49 F64 L65 N68	C35-C44 HydrophobicContact CB-CB 4.13Å; C35-C44 WeakPolarHBondContact CB-SG 3.45Å; C35-C44 WeakPolarHBondContact SG-CB 3.49Å; C35-C44 CovalentContact SG-SG 2.03Å; C35-C44 PolarHBondContact SG-SG 3.14Å; C44-R47 WeakPolarHBondContact O-CD 3.39Å; C44-L49 HydrophobicContact CB-CD1 3.92Å; C44-L49 VanDerWaalsContact O-CD1 3.3Å; C44-L49 WeakPolarHBondContact O-CD1 3.46Å; C44-F64 CarbonylContact C-O 3.43Å; C44-F64 VanDerWaalsContact CA-O 3.26Å; C44-F64 WeakPolarHBondContact CA-O 3.04Å; C44-F64 WeakPolarHBondContact CB-O 3.36Å; C44-F64 PolarHBondContact N-O 3.07Å; C44-L65 HydrophobicContact CB-CD2 3.49Å; C44-L65 VanDerWaalsContact CB-CD2 3.49Å; C44-L65 HydrophobicContact CB-CG 4.43Å; C44-N68 PolarHBondContact O-ND2 3.48Å
45	N	96.3	Very high	94.8	Very high	30 Å²	30	55.4 Å²	55.4	16%	0.16	32%	0.322	C	S	.	.			trans	-69.6	156	179.9	58.8	-71.3	0	0	0	113.4	R47 F64 Q66	N45-R47 VanDerWaalsContact C-N 3.3Å; N45-R47 WeakPolarHBondContact O-CG 3.33Å; N45-R47 PolarHBondContact O-N 2.72Å; N45-R47 PolarHBondContact O-NH1 3.31Å; N45-F64 HydrophobicContact CB-CB 4.33Å; N45-F64 PolarHBondContact N-O 3.4Å; N45-Q66 WeakPolarHBondContact CA-O 3.48Å; N45-Q66 VanDerWaalsContact CB-CD 3.44Å; N45-Q66 HydrophobicContact CB-CG 3.76Å; N45-Q66 WeakPolarHBondContact CB-O 3.44Å
46	D	96.1	Very high	94.6	Very high	94 Å²	94	55.4 Å²	55.4	50%	0.503	32%	0.321	S	S	.	.	S	Bend	trans	57	35	169.9	-54.8	-82.2	0	0	0	114.9	Q66 N67	D46-Q66 PolarHBondContact N-O 3.32Å; D46-Q66 VanDerWaalsContact N-O 3.09Å; D46-N67 WeakPolarHBondContact CA-O 3.27Å; D46-N67 PolarHBondContact N-O 2.98Å; D46-N67 WeakPolarHBondContact OD1-CB 3.41Å; D46-N67 PolarHBondContact OD1-ND2 2.89Å
47	R	95.2	Very high	94.5	Very high	95 Å²	95	48.6 Å²	48.6	36%	0.358	30%	0.297	S	S	.	.	S	Bend	trans	-116.7	3.7	-173	-80.5	158.1	171.6	92.2	-5.8	114	A34 Y43 C44 N45 L49 N68	A34-R47 WeakPolarHBondContact O-CD 3.36Å; A34-R47 PolarHBondContact O-NE 3.13Å; Y43-R47 PolarHBondContact O-NH1 3.28Å; Y43-R47 PolarHBondContact O-NH2 2.87Å; C44-R47 WeakPolarHBondContact O-CD 3.39Å; N45-R47 VanDerWaalsContact C-N 3.3Å; N45-R47 WeakPolarHBondContact O-CG 3.33Å; N45-R47 PolarHBondContact O-N 2.72Å; N45-R47 PolarHBondContact O-NH1 3.31Å; R47-L49 HydrophobicContact CB-CD1 4.18Å; R47-L49 HydrophobicContact CB-CD2 4.23Å; R47-L49 HydrophobicContact CB-CG 3.77Å; R47-L49 PolarHBondContact O-N 2.03Å; R47-N68 WeakPolarHBondContact CA-OD1 3.14Å; R47-N68 PolarHBondContact N-OD1 2.94Å
48	G	95.4	Very high	94.3	Very high	44 Å²	44	52.5 Å²	52.5	45%	0.454	31%	0.314	S	S	.	.			trans	64.1	24.1	-177.3	0	0	0	0	0	113.3	N68	G48-N68 PolarHBondContact N-OD1 3.04Å
49	L	96.4	Very high	94.3	Very high	24 Å²	24	52.8 Å²	52.8	13%	0.126	32%	0.316	C	S	.	.			trans	-65.7	134.7	-177.6	-61.1	173.6	0	0	0	110.6	A34 C44 R47 P53 N68 R69 I70	A34-L49 HydrophobicContact CB-CD2 4.1Å; C44-L49 HydrophobicContact CB-CD1 3.92Å; C44-L49 VanDerWaalsContact O-CD1 3.3Å; C44-L49 WeakPolarHBondContact O-CD1 3.46Å; R47-L49 HydrophobicContact CB-CD1 4.18Å; R47-L49 HydrophobicContact CB-CD2 4.23Å; R47-L49 HydrophobicContact CB-CG 3.77Å; R47-L49 PolarHBondContact O-N 2.03Å; L49-P53 HydrophobicContact CD1-CG 4.15Å; L49-P53 HydrophobicContact CD2-CG 4.38Å; L49-N68 HydrophobicContact CB-CB 4.16Å; L49-N68 PolarHBondContact N-OD1 2.98Å; L49-R69 CarbonylContact O-C 3.55Å; L49-R69 VanDerWaalsContact O-CA 3.3Å; L49-R69 WeakPolarHBondContact O-CA 3.3Å; L49-R69 PolarHBondContact O-N 3.41Å; L49-I70 HydrophobicContact CB-CG1 4.3Å; L49-I70 PolarHBondContact O-N 2.84Å; L49-I70 VanDerWaalsContact O-N 3.17Å
50	T	96.1	Very high	94.5	Very high	92 Å²	92	50 Å²	50	56%	0.564	29%	0.287	S	S	*	.	S	Bend	trans	-95.9	-16.2	173	53.2	0	0	0	0	113.1	R69 I70 K71	T50-R69 WeakPolarHBondContact CA-O 3.45Å; T50-R69 HydrophobicContact CG2-CB 4.35Å; T50-I70 WeakPolarHBondContact O-CA 3.26Å; T50-K71 PolarHBondContact O-N 2.83Å
51	S	96.5	Very high	94.7	Very high	58 Å²	58	49.8 Å²	49.8	41%	0.406	29%	0.286	S	S	.	.	S	Bend	trans	-145.1	155.5	176.4	57.3	0	0	0	0	109.7	G74	S51-G74 CarbonylContact C-O 3.54Å; S51-G74 VanDerWaalsContact CA-O 3.27Å; S51-G74 WeakPolarHBondContact CA-O 3.24Å; S51-G74 VanDerWaalsContact CB-O 3.31Å; S51-G74 WeakPolarHBondContact CB-O 3.46Å
52	I	96.3	Very high	94.7	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.026	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-72.4	127.4	175.7	-61.4	179.3	0	0	0	108.5	M56 L65 I70 G74 I75 P76 L79 L90	I52-M56 HydrophobicContact CG2-CE 2.99Å; I52-L65 HydrophobicContact CD1-CD1 3.83Å; I52-L65 HydrophobicContact CG1-CD1 4.2Å; I52-L65 HydrophobicContact CG1-CD2 4.25Å; I52-L65 HydrophobicContact CG2-CD1 4.47Å; I52-L65 HydrophobicContact CG2-CD2 4.22Å; I52-I70 HydrophobicContact CG1-CD1 3.99Å; I52-I70 HydrophobicContact CG1-CG2 4.14Å; I52-G74 PolarHBondContact N-O 2.85Å; I52-I75 HydrophobicContact CD1-CB 4.32Å; I52-I75 HydrophobicContact CD1-CG1 3.89Å; I52-I75 HydrophobicContact CD1-CG2 4.09Å; I52-P76 HydrophobicContact CB-CG 4.27Å; I52-P76 HydrophobicContact CG2-CG 4.38Å; I52-L79 HydrophobicContact CD1-CD2 4.01Å; I52-L79 HydrophobicContact CG2-CD1 4.42Å; I52-L90 HydrophobicContact CD1-CD2 4.49Å
53	P	94.1	Very high	94.8	Very high	22 Å²	22	46.3 Å²	46.3	14%	0.143	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-63.6	145.6	179	-25.6	37.1	0	0	0	113	P32 A34 L49 M56	P32-P53 HydrophobicContact CB-CB 3.62Å; P32-P53 HydrophobicContact CB-CG 4.47Å; P32-P53 HydrophobicContact CG-CB 4.11Å; A34-P53 HydrophobicContact CB-CG 4.34Å; L49-P53 HydrophobicContact CD1-CG 4.15Å; L49-P53 HydrophobicContact CD2-CG 4.38Å; P53-M56 WeakPolarHBondContact O-CE 3.45Å
54	T	90.4	Very high	94.8	Very high	98 Å²	98	44.6 Å²	44.6	60%	0.601	27%	0.266	S	S	*	.	S	Bend	trans	-83.3	163.6	174.7	57.4	0	0	0	0	111.5	P76	T54-P76 HydrophobicContact CG2-CB 4.36Å
55	G	87.6	Confident	94.8	Very high	48 Å²	48	44.6 Å²	44.6	50%	0.495	27%	0.266	S	S	.	.			trans	81.7	30.2	176.9	0	0	0	0	0	114.8
56	M	91.4	Very high	94.9	Very high	16 Å²	16	44 Å²	44	8%	0.079	26%	0.262	C	S	.	.			trans	-66.8	147.8	175.1	-65.3	-166.6	-152	0	0	112.3	P32 I52 P53 L63 L79 L82	P32-M56 HydrophobicContact CG-CG 4.21Å; I52-M56 HydrophobicContact CG2-CE 2.99Å; P53-M56 WeakPolarHBondContact O-CE 3.45Å; M56-L63 HydrophobicContact SD-CD1 3.99Å; M56-L63 HydrophobicContact SD-CD2 3.75Å; M56-L79 HydrophobicContact CE-CD1 3.81Å; M56-L79 HydrophobicContact SD-CD1 4.15Å; M56-L82 HydrophobicContact CB-CD1 3.84Å; M56-L82 HydrophobicContact CB-CD2 4.21Å; M56-L82 HydrophobicContact CG-CD1 4.36Å; M56-L82 HydrophobicContact SD-CD1 3.71Å
57	P	92.3	Very high	94.9	Very high	11 Å²	11	41.1 Å²	41.1	7%	0.071	25%	0.247	C	C	.	.			trans	-57.6	135.4	172.1	-21.8	32.9	0	0	0	112.7	I42 D59 A60	I42-P57 HydrophobicContact CD1-CB 4.48Å; I42-P57 HydrophobicContact CD1-CG 3.79Å; P57-D59 WeakPolarHBondContact CB-OD1 3.36Å; P57-D59 PolarHBondContact O-N 3.12Å; P57-A60 WeakPolarHBondContact O-CB 3.39Å; P57-A60 PolarHBondContact O-N 3Å
58	L	91.3	Very high	95	Very high	119 Å²	119	37.1 Å²	37.1	62%	0.623	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-18.3	-179	-63.9	175.6	0	0	0	113.3	A60 L82 N84	L58-A60 VanDerWaalsContact C-N 3.33Å; L58-L82 HydrophobicContact CD2-CD2 4.12Å; L58-N84 PolarHBondContact O-ND2 3.23Å
59	D	92.9	Very high	95.1	Very high	89 Å²	89	43 Å²	43	48%	0.476	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	3.3	175.1	63.5	-30.8	0	0	0	113	T40 P57 T61	T40-D59 WeakPolarHBondContact CB-O 3.4Å; T40-D59 VanDerWaalsContact CG2-O 3.24Å; T40-D59 WeakPolarHBondContact CG2-O 3.47Å; P57-D59 WeakPolarHBondContact CB-OD1 3.36Å; P57-D59 PolarHBondContact O-N 3.12Å; D59-T61 PolarHBondContact O-N 3.35Å
60	A	95.2	Very high	95.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.235	C	C	.	.			trans	-58.1	131.9	175.2	0	0	0	0	0	111.5	T40 I42 P57 L58 L63 N84 V85	T40-A60 WeakPolarHBondContact O-CA 3.5Å; I42-A60 HydrophobicContact CD1-CB 4.05Å; I42-A60 HydrophobicContact CG1-CB 3.62Å; P57-A60 WeakPolarHBondContact O-CB 3.39Å; P57-A60 PolarHBondContact O-N 3Å; L58-A60 VanDerWaalsContact C-N 3.33Å; A60-L63 HydrophobicContact CB-CD2 4.06Å; A60-N84 CarbonylContact O-C 3.13Å; A60-V85 HydrophobicContact CB-CG2 4.14Å; A60-V85 WeakPolarHBondContact O-CG2 3.48Å; A60-V85 PolarHBondContact O-N 2.98Å
61	T	96.4	Very high	95.1	Very high	39 Å²	39	42.9 Å²	42.9	24%	0.239	23%	0.232	C	C	.	.			trans	-111	-33.1	178.4	56.5	0	0	0	0	112.4	T40 D59 V85 E86 K87	T40-T61 VanDerWaalsContact CB-OG1 3.28Å; T40-T61 WeakPolarHBondContact CB-OG1 3.37Å; T40-T61 HydrophobicContact CG2-CG2 4.18Å; T40-T61 PolarHBondContact O-N 3.28Å; T40-T61 PolarHBondContact O-OG1 2.95Å; T40-T61 PolarHBondContact OG1-OG1 2.95Å; D59-T61 PolarHBondContact O-N 3.35Å; T61-V85 WeakPolarHBondContact O-CA 3.49Å; T61-E86 PolarHBondContact O-N 3.3Å; T61-K87 PolarHBondContact O-N 2.9Å
62	V	97.9	Very high	95	Very high	14 Å²	14	41.3 Å²	41.3	9%	0.085	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	128.1	-177.2	-178.3	0	0	0	0	110.1	T40 F41 I42 F64 K87 Y89	T40-V62 PolarHBondContact O-N 3.31Å; F41-V62 HydrophobicContact CD1-CB 3.68Å; F41-V62 HydrophobicContact CD1-CG1 4.22Å; F41-V62 HydrophobicContact CD1-CG2 3.97Å; F41-V62 HydrophobicContact CE1-CB 3.99Å; F41-V62 HydrophobicContact CE1-CG2 3.74Å; I42-V62 PolarHBondContact N-O 3.01Å; V62-F64 HydrophobicContact CG1-CD2 4.33Å; V62-F64 HydrophobicContact CG1-CE1 4.27Å; V62-F64 HydrophobicContact CG1-CE2 3.82Å; V62-F64 HydrophobicContact CG1-CZ 3.78Å; V62-K87 WeakPolarHBondContact CA-O 3.27Å; V62-K87 HydrophobicContact CG1-CB 4.18Å; V62-K87 HydrophobicContact CG2-CB 4.15Å; V62-K87 HydrophobicContact CG2-CD 4.36Å; V62-K87 HydrophobicContact CG2-CG 4.41Å; V62-Y89 HydrophobicContact CG1-CD2 4.22Å; V62-Y89 HydrophobicContact CG1-CE2 3.9Å
63	L	97.8	Very high	94.9	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.5	177.7	-53	-177.3	0	0	0	110.6	I42 M56 A60 L65 L79 L82 V85 K87 I88 Y89	I42-L63 HydrophobicContact CB-CD2 3.65Å; I42-L63 HydrophobicContact CG1-CD2 3.56Å; I42-L63 HydrophobicContact CG2-CD2 4.36Å; M56-L63 HydrophobicContact SD-CD1 3.99Å; M56-L63 HydrophobicContact SD-CD2 3.75Å; A60-L63 HydrophobicContact CB-CD2 4.06Å; L63-L65 HydrophobicContact CB-CD1 4.05Å; L63-L65 HydrophobicContact CB-CG 4.38Å; L63-L65 HydrophobicContact CD1-CD1 4.4Å; L63-L79 HydrophobicContact CD1-CD1 3.84Å; L63-L82 HydrophobicContact CD1-CD1 4.26Å; L63-V85 HydrophobicContact CD1-CG1 4.11Å; L63-V85 HydrophobicContact CD1-CG2 4.19Å; L63-V85 HydrophobicContact CD2-CG2 4.31Å; L63-V85 HydrophobicContact CG-CG1 4Å; L63-V85 HydrophobicContact CG-CG2 4.12Å; L63-K87 PolarHBondContact N-O 2.96Å; L63-I88 HydrophobicContact CB-CG1 4.19Å; L63-I88 HydrophobicContact CD1-CD1 4.18Å; L63-I88 HydrophobicContact CD1-CG1 4.1Å; L63-I88 HydrophobicContact CG-CG1 4.31Å; L63-Y89 PolarHBondContact O-N 2.79Å
64	F	98.1	Very high	94.9	Very high	37 Å²	37	45.8 Å²	45.8	16%	0.162	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	102.8	171.4	-61	-80.4	0	0	0	109.5	F41 I42 Y43 C44 N45 V62 Q66 Y89	F41-F64 HydrophobicContact CB-CE2 4.3Å; F41-F64 AromaticContact CD1-CE2 3.88Å; F41-F64 HydrophobicContact CD1-CE2 3.88Å; F41-F64 HydrophobicContact CD1-CZ 4.37Å; I42-F64 PolarHBondContact O-N 3.37Å; Y43-F64 HydrophobicContact CD1-CB 4.39Å; Y43-F64 AromaticContact CD1-CD2 3.58Å; Y43-F64 HydrophobicContact CD1-CD2 3.58Å; Y43-F64 HydrophobicContact CD1-CE2 4.07Å; Y43-F64 HydrophobicContact CD1-CG 4.13Å; Y43-F64 AromaticContact CE1-CD2 3.56Å; Y43-F64 HydrophobicContact CE1-CD2 3.56Å; Y43-F64 AromaticContact CE1-CE2 3.53Å; Y43-F64 HydrophobicContact CE1-CE2 3.53Å; Y43-F64 HydrophobicContact CE1-CG 4.33Å; Y43-F64 HydrophobicContact CE1-CZ 4.29Å; Y43-F64 HydrophobicContact CG-CD2 4.21Å; Y43-F64 AromaticContact CZ-CE2 3.86Å; C44-F64 CarbonylContact C-O 3.43Å; C44-F64 VanDerWaalsContact CA-O 3.26Å; C44-F64 WeakPolarHBondContact CA-O 3.04Å; C44-F64 WeakPolarHBondContact CB-O 3.36Å; C44-F64 PolarHBondContact N-O 3.07Å; N45-F64 HydrophobicContact CB-CB 4.33Å; N45-F64 PolarHBondContact N-O 3.4Å; V62-F64 HydrophobicContact CG1-CD2 4.33Å; V62-F64 HydrophobicContact CG1-CE1 4.27Å; V62-F64 HydrophobicContact CG1-CE2 3.82Å; V62-F64 HydrophobicContact CG1-CZ 3.78Å; F64-Q66 VanDerWaalsContact CA-OE1 3.3Å; F64-Y89 AromaticContact CD1-CD2 3.36Å; F64-Y89 HydrophobicContact CD1-CD2 3.36Å; F64-Y89 AromaticContact CD1-CE2 3.86Å; F64-Y89 HydrophobicContact CD1-CE2 3.86Å; F64-Y89 HydrophobicContact CD1-CG 4.08Å; F64-Y89 AromaticContact CE1-CD2 3.47Å; F64-Y89 HydrophobicContact CE1-CD2 3.47Å; F64-Y89 VanDerWaalsContact CE1-CD2 3.47Å; F64-Y89 AromaticContact CE1-CE2 3.42Å; F64-Y89 HydrophobicContact CE1-CE2 3.42Å; F64-Y89 VanDerWaalsContact CE1-CE2 3.42Å; F64-Y89 HydrophobicContact CE1-CG 4.42Å; F64-Y89 HydrophobicContact CG-CD2 4.26Å; F64-Y89 HydrophobicContact CZ-CD2 4.44Å; F64-Y89 HydrophobicContact CZ-CE2 4.18Å
65	L	97.8	Very high	95.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.227	C	C	.	.			trans	-122.4	8.7	-176.6	-65.7	160	0	0	0	112.2	C44 I52 L63 N68 I70 I88 Y89 L90 N93	C44-L65 HydrophobicContact CB-CD2 3.49Å; C44-L65 VanDerWaalsContact CB-CD2 3.49Å; C44-L65 HydrophobicContact CB-CG 4.43Å; I52-L65 HydrophobicContact CD1-CD1 3.83Å; I52-L65 HydrophobicContact CG1-CD1 4.2Å; I52-L65 HydrophobicContact CG1-CD2 4.25Å; I52-L65 HydrophobicContact CG2-CD1 4.47Å; I52-L65 HydrophobicContact CG2-CD2 4.22Å; L63-L65 HydrophobicContact CB-CD1 4.05Å; L63-L65 HydrophobicContact CB-CG 4.38Å; L63-L65 HydrophobicContact CD1-CD1 4.4Å; L65-N68 PolarHBondContact O-ND2 2.95Å; L65-I70 HydrophobicContact CB-CD1 4.13Å; L65-I70 HydrophobicContact CD2-CD1 4.31Å; L65-I88 HydrophobicContact CD1-CG2 4.27Å; L65-Y89 CarbonylContact C-O 3.52Å; L65-Y89 WeakPolarHBondContact CA-O 3.04Å; L65-Y89 VanDerWaalsContact CB-O 3.28Å; L65-Y89 WeakPolarHBondContact CB-O 3.33Å; L65-Y89 PolarHBondContact N-O 2.91Å; L65-L90 HydrophobicContact CB-CD2 3.63Å; L65-L90 HydrophobicContact CB-CG 4.2Å; L65-L90 HydrophobicContact CD1-CD2 4.06Å; L65-L90 HydrophobicContact CD1-CG 4.35Å; L65-L90 HydrophobicContact CG-CD2 4.48Å; L65-N93 PolarHBondContact O-ND2 3.39Å
66	Q	97.5	Very high	95.5	Very high	16 Å²	16	40.4 Å²	40.4	8%	0.075	21%	0.212	C	C	.	.			trans	-66	165.5	-178	69.3	-92.7	23.2	0	0	113.7	N45 D46 F64 N68 Y89 Y91	N45-Q66 WeakPolarHBondContact CA-O 3.48Å; N45-Q66 VanDerWaalsContact CB-CD 3.44Å; N45-Q66 HydrophobicContact CB-CG 3.76Å; N45-Q66 WeakPolarHBondContact CB-O 3.44Å; D46-Q66 PolarHBondContact N-O 3.32Å; D46-Q66 VanDerWaalsContact N-O 3.09Å; F64-Q66 VanDerWaalsContact CA-OE1 3.3Å; Q66-N68 VanDerWaalsContact C-N 3.28Å; Q66-N68 PolarHBondContact O-N 2.88Å; Q66-N68 PolarHBondContact O-ND2 3.43Å; Q66-Y89 PolarHBondContact N-O 3.32Å; Q66-Y89 VanDerWaalsContact OE1-CB 3.31Å; Q66-Y91 WeakPolarHBondContact CA-O 3.36Å; Q66-Y91 HydrophobicContact CB-CD1 3.7Å; Q66-Y91 HydrophobicContact CB-CD2 3.73Å; Q66-Y91 HydrophobicContact CB-CE1 3.47Å; Q66-Y91 VanDerWaalsContact CB-CE1 3.47Å; Q66-Y91 HydrophobicContact CB-CE2 3.5Å; Q66-Y91 HydrophobicContact CB-CG 3.82Å; Q66-Y91 WeakPolarHBondContact CB-O 3.36Å; Q66-Y91 HydrophobicContact CG-CD1 4.5Å; Q66-Y91 HydrophobicContact CG-CD2 4.46Å; Q66-Y91 HydrophobicContact CG-CE1 3.78Å; Q66-Y91 HydrophobicContact CG-CE2 3.74Å; Q66-Y91 WeakPolarHBondContact CG-OH 3.34Å
67	N	96.6	Very high	95.6	Very high	35 Å²	35	43.9 Å²	43.9	19%	0.187	23%	0.234	C	C	.	.	S	Bend	trans	55.9	44.2	173.4	-57.5	-11.3	0	0	0	112.2	D46 Y91 C92 C563	D46-N67 WeakPolarHBondContact CA-O 3.27Å; D46-N67 PolarHBondContact N-O 2.98Å; D46-N67 WeakPolarHBondContact OD1-CB 3.41Å; D46-N67 PolarHBondContact OD1-ND2 2.89Å; N67-Y91 PolarHBondContact N-O 2.95Å; N67-Y91 VanDerWaalsContact N-O 3.1Å; N67-C92 VanDerWaalsContact CA-O 3.27Å; N67-C92 WeakPolarHBondContact CA-O 3.03Å; N67-C92 PolarHBondContact N-O 2.8Å; N67-C92 VanDerWaalsContact OD1-CB 3.28Å; N67-C92 WeakPolarHBondContact OD1-CB 3.48Å; N67-C563 WeakPolarHBondContact OD1-CB 3.41Å
68	N	97.3	Very high	95.6	Very high	10 Å²	10	49.2 Å²	49.2	5%	0.053	26%	0.258	C	S	.	.	S	Bend	trans	-122.6	-166	176.7	-78.8	-60.5	0	0	0	109.1	C44 R47 G48 L49 L65 Q66 I70 C92 N93	C44-N68 PolarHBondContact O-ND2 3.48Å; R47-N68 WeakPolarHBondContact CA-OD1 3.14Å; R47-N68 PolarHBondContact N-OD1 2.94Å; G48-N68 PolarHBondContact N-OD1 3.04Å; L49-N68 HydrophobicContact CB-CB 4.16Å; L49-N68 PolarHBondContact N-OD1 2.98Å; L65-N68 PolarHBondContact O-ND2 2.95Å; Q66-N68 VanDerWaalsContact C-N 3.28Å; Q66-N68 PolarHBondContact O-N 2.88Å; Q66-N68 PolarHBondContact O-ND2 3.43Å; N68-I70 HydrophobicContact CB-CD1 3.98Å; N68-I70 HydrophobicContact CB-CG1 3.92Å; N68-C92 PolarHBondContact N-O 3.39Å; N68-N93 WeakPolarHBondContact CA-OD1 3.5Å; N68-N93 WeakPolarHBondContact CB-OD1 3.22Å; N68-N93 PolarHBondContact O-OD1 3.18Å
69	R	97.2	Very high	95.7	Very high	167 Å²	167	43.8 Å²	43.8	63%	0.63	23%	0.229	S	C	*	.			trans	-120.7	32.4	176.7	-59.3	179.3	-173.9	176.7	0.8	110.8	L49 T50 K71 N93 N94	L49-R69 CarbonylContact O-C 3.55Å; L49-R69 VanDerWaalsContact O-CA 3.3Å; L49-R69 WeakPolarHBondContact O-CA 3.3Å; L49-R69 PolarHBondContact O-N 3.41Å; T50-R69 WeakPolarHBondContact CA-O 3.45Å; T50-R69 HydrophobicContact CG2-CB 4.35Å; R69-K71 PolarHBondContact O-N 3.38Å; R69-N93 PolarHBondContact N-OD1 3.05Å; R69-N94 VanDerWaalsContact CA-OD1 3.23Å; R69-N94 WeakPolarHBondContact CA-OD1 3.4Å; R69-N94 WeakPolarHBondContact CB-OD1 3.07Å
70	I	97.3	Very high	95.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.			trans	-68.8	128.7	-173.7	-61.8	164.1	0	0	0	108.7	L49 T50 I52 L65 N68 I75 L90 N93 N94 L95	L49-I70 HydrophobicContact CB-CG1 4.3Å; L49-I70 PolarHBondContact O-N 2.84Å; L49-I70 VanDerWaalsContact O-N 3.17Å; T50-I70 WeakPolarHBondContact O-CA 3.26Å; I52-I70 HydrophobicContact CG1-CD1 3.99Å; I52-I70 HydrophobicContact CG1-CG2 4.14Å; L65-I70 HydrophobicContact CB-CD1 4.13Å; L65-I70 HydrophobicContact CD2-CD1 4.31Å; N68-I70 HydrophobicContact CB-CD1 3.98Å; N68-I70 HydrophobicContact CB-CG1 3.92Å; I70-I75 HydrophobicContact CG2-CG1 4.38Å; I70-L90 HydrophobicContact CD1-CD2 4.11Å; I70-N93 HydrophobicContact CB-CB 4.42Å; I70-N93 VanDerWaalsContact CB-OD1 3.28Å; I70-N93 WeakPolarHBondContact CB-OD1 3.28Å; I70-N93 WeakPolarHBondContact CG1-OD1 3.28Å; I70-N93 PolarHBondContact N-OD1 3.34Å; I70-N94 CarbonylContact O-C 3.21Å; I70-N94 WeakPolarHBondContact O-CA 3.44Å; I70-N94 PolarHBondContact O-N 2.8Å; I70-L95 HydrophobicContact CG2-CD2 4.35Å; I70-L95 PolarHBondContact O-N 3.28Å
71	K	95.8	Very high	95.5	Very high	115 Å²	115	48.7 Å²	48.7	50%	0.5	26%	0.255	S	S	.	.			trans	-97.1	163.1	173.8	-61.3	-175.7	178.8	-174.5	0	110.7	T50 R69 S73 G74 N94	T50-K71 PolarHBondContact O-N 2.83Å; R69-K71 PolarHBondContact O-N 3.38Å; K71-S73 PolarHBondContact O-N 3.22Å; K71-G74 WeakPolarHBondContact O-CA 3.01Å; K71-G74 PolarHBondContact O-N 3.37Å; K71-N94 HydrophobicContact CG-CB 4.3Å
72	S	94	Very high	95.4	Very high	24 Å²	24	47.2 Å²	47.2	17%	0.168	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-58.5	-33.4	177.7	-53.5	0	0	0	0	112.4	G74 D96 E97	S72-G74 VanDerWaalsContact C-N 3.27Å; S72-G74 PolarHBondContact O-N 3.49Å; S72-D96 PolarHBondContact OG-N 2.82Å; S72-E97 PolarHBondContact OG-N 3.46Å; S72-E97 PolarHBondContact OG-O 3.49Å
73	S	93.9	Very high	95.2	Very high	113 Å²	113	51.4 Å²	51.4	79%	0.79	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-75.2	-11.5	173	58.4	0	0	0	0	114.6	K71 I75	K71-S73 PolarHBondContact O-N 3.22Å; S73-I75 VanDerWaalsContact C-N 3.27Å; S73-I75 PolarHBondContact O-N 3.03Å
74	G	93.8	Very high	95	Very high	8 Å²	8	55.3 Å²	55.3	8%	0.082	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-84.7	6	178	0	0	0	0	0	113.8	S51 I52 K71 S72 P76	S51-G74 CarbonylContact C-O 3.54Å; S51-G74 VanDerWaalsContact CA-O 3.27Å; S51-G74 WeakPolarHBondContact CA-O 3.24Å; S51-G74 VanDerWaalsContact CB-O 3.31Å; S51-G74 WeakPolarHBondContact CB-O 3.46Å; I52-G74 PolarHBondContact N-O 2.85Å; K71-G74 WeakPolarHBondContact O-CA 3.01Å; K71-G74 PolarHBondContact O-N 3.37Å; S72-G74 VanDerWaalsContact C-N 3.27Å; S72-G74 PolarHBondContact O-N 3.49Å; G74-P76 WeakPolarHBondContact O-CD 3.12Å
75	I	96.1	Very high	95	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.041	28%	0.284	C	S	.	.	S	Bend	trans	-99.3	108.7	-179.8	-56.4	-179.1	0	0	0	109.3	I52 I70 S73 L79 L95 P99 T100 N101	I52-I75 HydrophobicContact CD1-CB 4.32Å; I52-I75 HydrophobicContact CD1-CG1 3.89Å; I52-I75 HydrophobicContact CD1-CG2 4.09Å; I70-I75 HydrophobicContact CG2-CG1 4.38Å; S73-I75 VanDerWaalsContact C-N 3.27Å; S73-I75 PolarHBondContact O-N 3.03Å; I75-L79 HydrophobicContact CG2-CD2 3.8Å; I75-L95 HydrophobicContact CD1-CD2 4.21Å; I75-P99 HydrophobicContact CD1-CB 3.23Å; I75-T100 VanDerWaalsContact CG2-O 3.23Å; I75-T100 WeakPolarHBondContact CG2-O 3.43Å; I75-N101 HydrophobicContact CG2-CB 4.36Å; I75-N101 PolarHBondContact O-ND2 3.03Å
76	P	95.1	Very high	95	Very high	26 Å²	26	57.3 Å²	57.3	17%	0.169	30%	0.301	C	S	.	.			trans	-73.9	152.7	-173.9	30.6	-34.9	0	0	0	112.2	I52 T54 G74 E78 L79	I52-P76 HydrophobicContact CB-CG 4.27Å; I52-P76 HydrophobicContact CG2-CG 4.38Å; T54-P76 HydrophobicContact CG2-CB 4.36Å; G74-P76 WeakPolarHBondContact O-CD 3.12Å; P76-E78 VanDerWaalsContact C-N 3.26Å; P76-E78 WeakPolarHBondContact CB-OE2 3.37Å; P76-E78 PolarHBondContact O-N 3.26Å; P76-L79 HydrophobicContact CG-CB 4.47Å; P76-L79 VanDerWaalsContact O-CB 3.31Å; P76-L79 WeakPolarHBondContact O-CB 3.23Å; P76-L79 PolarHBondContact O-N 2.93Å
77	T	93.8	Very high	95	Very high	89 Å²	89	59.2 Å²	59.2	55%	0.546	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-68.5	-26.7	-179.3	51.3	0	0	0	0	112.5	L79 R80	T77-L79 PolarHBondContact O-N 2.68Å; T77-R80 WeakPolarHBondContact O-CB 3.48Å; T77-R80 PolarHBondContact O-N 2.75Å
78	E	91.5	Very high	95.1	Very high	122 Å²	122	57.6 Å²	57.6	57%	0.57	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-63.7	-22.9	177.2	-62.9	79.4	-174.4	0	0	112.6	P76 R80 G81	P76-E78 VanDerWaalsContact C-N 3.26Å; P76-E78 WeakPolarHBondContact CB-OE2 3.37Å; P76-E78 PolarHBondContact O-N 3.26Å; E78-R80 PolarHBondContact O-N 2.9Å; E78-G81 PolarHBondContact O-N 2.81Å
79	L	94.1	Very high	95.2	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.026	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-59.1	-32.5	178.1	-168.3	72.6	0	0	0	111.6	I52 M56 L63 I75 P76 T77 G81 L82 L102 P103	I52-L79 HydrophobicContact CD1-CD2 4.01Å; I52-L79 HydrophobicContact CG2-CD1 4.42Å; M56-L79 HydrophobicContact CE-CD1 3.81Å; M56-L79 HydrophobicContact SD-CD1 4.15Å; L63-L79 HydrophobicContact CD1-CD1 3.84Å; I75-L79 HydrophobicContact CG2-CD2 3.8Å; P76-L79 HydrophobicContact CG-CB 4.47Å; P76-L79 VanDerWaalsContact O-CB 3.31Å; P76-L79 WeakPolarHBondContact O-CB 3.23Å; P76-L79 PolarHBondContact O-N 2.93Å; T77-L79 PolarHBondContact O-N 2.68Å; L79-G81 PolarHBondContact O-N 2.99Å; L79-G81 VanDerWaalsContact O-N 3.12Å; L79-L82 HydrophobicContact CD1-CD1 3.72Å; L79-L82 PolarHBondContact O-N 3.09Å; L79-L82 VanDerWaalsContact O-N 3.11Å; L79-L102 HydrophobicContact CD2-CD2 4.26Å; L79-P103 HydrophobicContact CG-CG 4.36Å
80	R	92.9	Very high	95.2	Very high	149 Å²	149	51.6 Å²	51.6	56%	0.562	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-58.1	-25.9	175.3	-166.4	-179	-172.2	-164.9	3.7	113	T77 E78 L82 N101	T77-R80 WeakPolarHBondContact O-CB 3.48Å; T77-R80 PolarHBondContact O-N 2.75Å; E78-R80 PolarHBondContact O-N 2.9Å; R80-L82 VanDerWaalsContact C-N 3.3Å; R80-L82 PolarHBondContact O-N 3.46Å; R80-N101 PolarHBondContact N-O 2.97Å
81	G	91.3	Very high	95.2	Very high	44 Å²	44	53.2 Å²	53.2	45%	0.454	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-75.5	-11	180	0	0	0	0	0	114.8	E78 L79 V83	E78-G81 PolarHBondContact O-N 2.81Å; L79-G81 PolarHBondContact O-N 2.99Å; L79-G81 VanDerWaalsContact O-N 3.12Å; G81-V83 VanDerWaalsContact C-N 3.28Å; G81-V83 PolarHBondContact O-N 3.22Å
82	L	93.6	Very high	95.3	Very high	8 Å²	8	48.3 Å²	48.3	4%	0.042	26%	0.264	C	S	.	.			trans	-82	69.5	-179	-58.1	-177.3	0	0	0	111.9	M56 L58 L63 L79 R80 N84 V85 P103	M56-L82 HydrophobicContact CB-CD1 3.84Å; M56-L82 HydrophobicContact CB-CD2 4.21Å; M56-L82 HydrophobicContact CG-CD1 4.36Å; M56-L82 HydrophobicContact SD-CD1 3.71Å; L58-L82 HydrophobicContact CD2-CD2 4.12Å; L63-L82 HydrophobicContact CD1-CD1 4.26Å; L79-L82 HydrophobicContact CD1-CD1 3.72Å; L79-L82 PolarHBondContact O-N 3.09Å; L79-L82 VanDerWaalsContact O-N 3.11Å; R80-L82 VanDerWaalsContact C-N 3.3Å; R80-L82 PolarHBondContact O-N 3.46Å; L82-N84 PolarHBondContact O-N 2.71Å; L82-V85 HydrophobicContact CB-CB 4.41Å; L82-V85 HydrophobicContact CB-CG2 3.62Å; L82-V85 HydrophobicContact CD1-CG2 4.11Å; L82-V85 PolarHBondContact O-N 2.8Å; L82-V85 VanDerWaalsContact O-N 3.09Å; L82-P103 HydrophobicContact CB-CG 4.39Å; L82-P103 WeakPolarHBondContact O-CB 3.3Å
83	V	92.9	Very high	95.4	Very high	101 Å²	101	47.7 Å²	47.7	61%	0.612	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-21.4	-170.4	-64.2	0	0	0	0	115.5	G81	G81-V83 VanDerWaalsContact C-N 3.28Å; G81-V83 PolarHBondContact O-N 3.22Å
84	N	95.3	Very high	95.6	Very high	84 Å²	84	46 Å²	46	45%	0.449	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-6	-178.7	-63.1	-41.8	0	0	0	113.6	L58 A60 L82 E86	L58-N84 PolarHBondContact O-ND2 3.23Å; A60-N84 CarbonylContact O-C 3.13Å; L82-N84 PolarHBondContact O-N 2.71Å; N84-E86 PolarHBondContact O-N 2.03Å
85	V	97.3	Very high	95.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.			trans	-72.4	116.3	-179.4	173.5	0	0	0	0	109.5	A60 T61 L63 L82 I88 P103 G105 L106	A60-V85 HydrophobicContact CB-CG2 4.14Å; A60-V85 WeakPolarHBondContact O-CG2 3.48Å; A60-V85 PolarHBondContact O-N 2.98Å; T61-V85 WeakPolarHBondContact O-CA 3.49Å; L63-V85 HydrophobicContact CD1-CG1 4.11Å; L63-V85 HydrophobicContact CD1-CG2 4.19Å; L63-V85 HydrophobicContact CD2-CG2 4.31Å; L63-V85 HydrophobicContact CG-CG1 4Å; L63-V85 HydrophobicContact CG-CG2 4.12Å; L82-V85 HydrophobicContact CB-CB 4.41Å; L82-V85 HydrophobicContact CB-CG2 3.62Å; L82-V85 HydrophobicContact CD1-CG2 4.11Å; L82-V85 PolarHBondContact O-N 2.8Å; L82-V85 VanDerWaalsContact O-N 3.09Å; V85-I88 HydrophobicContact CG1-CD1 3.92Å; V85-I88 HydrophobicContact CG1-CG1 3.61Å; V85-P103 HydrophobicContact CB-CB 4.16Å; V85-P103 HydrophobicContact CB-CG 3.92Å; V85-P103 HydrophobicContact CG1-CG 4.08Å; V85-G105 CarbonylContact O-C 3.45Å; V85-L106 HydrophobicContact CG1-CD1 4.32Å; V85-L106 PolarHBondContact O-N 2.81Å
86	E	97.5	Very high	95.6	Very high	79 Å²	79	48.9 Å²	48.9	37%	0.369	26%	0.255	S	S	.	.			trans	-101.2	-26.1	178.2	-60.9	-166.4	143.2	0	0	112.2	T61 N84 K107 E108	T61-E86 PolarHBondContact O-N 3.3Å; N84-E86 PolarHBondContact O-N 2.03Å; E86-K107 HydrophobicContact CB-CD 4.46Å; E86-K107 HydrophobicContact CG-CD 4.47Å; E86-K107 PolarHBondContact O-N 2.89Å; E86-K107 IonicContact OE1-NZ 3.7Å; E86-K107 PolarHBondContact OE1-NZ 2.98Å; E86-E108 PolarHBondContact O-N 2.83Å
87	K	98.4	Very high	95.5	Very high	57 Å²	57	53 Å²	53	25%	0.248	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	132.4	-172.5	-49.4	-172.6	176.9	-145.9	0	112.5	T61 V62 L63 E108	T61-K87 PolarHBondContact O-N 2.9Å; V62-K87 WeakPolarHBondContact CA-O 3.27Å; V62-K87 HydrophobicContact CG1-CB 4.18Å; V62-K87 HydrophobicContact CG2-CB 4.15Å; V62-K87 HydrophobicContact CG2-CD 4.36Å; V62-K87 HydrophobicContact CG2-CG 4.41Å; L63-K87 PolarHBondContact N-O 2.96Å; K87-E108 WeakPolarHBondContact CA-O 3.31Å; K87-E108 HydrophobicContact CB-CB 4.34Å; K87-E108 VanDerWaalsContact CD-OE2 3.23Å; K87-E108 WeakPolarHBondContact CD-OE2 3.47Å; K87-E108 VanDerWaalsContact CE-CD 3.4Å; K87-E108 WeakPolarHBondContact CE-OE1 3.4Å; K87-E108 VanDerWaalsContact CE-OE2 3.24Å; K87-E108 WeakPolarHBondContact CE-OE2 3.28Å; K87-E108 HydrophobicContact CG-CB 4.04Å; K87-E108 HydrophobicContact CG-CG 4.34Å; K87-E108 IonicContact NZ-OE1 3.35Å; K87-E108 PolarHBondContact NZ-OE1 2.98Å; K87-E108 IonicContact NZ-OE2 2.89Å; K87-E108 PolarHBondContact NZ-OE2 2.97Å
88	I	98.4	Very high	95.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.8	177.3	-63.5	176.5	0	0	0	110.6	L63 L65 V85 L90 L102 P103 L106 E108 L109 H110	L63-I88 HydrophobicContact CB-CG1 4.19Å; L63-I88 HydrophobicContact CD1-CD1 4.18Å; L63-I88 HydrophobicContact CD1-CG1 4.1Å; L63-I88 HydrophobicContact CG-CG1 4.31Å; L65-I88 HydrophobicContact CD1-CG2 4.27Å; V85-I88 HydrophobicContact CG1-CD1 3.92Å; V85-I88 HydrophobicContact CG1-CG1 3.61Å; I88-L90 HydrophobicContact CG2-CB 4.43Å; I88-L90 HydrophobicContact CG2-CD1 3.61Å; I88-L90 HydrophobicContact CG2-CG 3.65Å; I88-L102 HydrophobicContact CD1-CD2 4.14Å; I88-P103 HydrophobicContact CD1-CG 4.05Å; I88-L106 HydrophobicContact CB-CD1 4.06Å; I88-L106 HydrophobicContact CD1-CD1 3.69Å; I88-L106 HydrophobicContact CD1-CD2 4.2Å; I88-L106 HydrophobicContact CG1-CD1 3.56Å; I88-E108 PolarHBondContact N-O 3.17Å; I88-L109 HydrophobicContact CB-CD1 4.07Å; I88-L109 HydrophobicContact CG2-CD1 4.18Å; I88-H110 PolarHBondContact O-N 3.45Å
89	Y	98.5	Very high	95.9	Very high	51 Å²	51	43.3 Å²	43.3	20%	0.2	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	106.8	170.8	-62.7	-81	0	0	0	110.6	V62 L63 F64 L65 Q66 Y91 H110	V62-Y89 HydrophobicContact CG1-CD2 4.22Å; V62-Y89 HydrophobicContact CG1-CE2 3.9Å; L63-Y89 PolarHBondContact O-N 2.79Å; F64-Y89 AromaticContact CD1-CD2 3.36Å; F64-Y89 HydrophobicContact CD1-CD2 3.36Å; F64-Y89 AromaticContact CD1-CE2 3.86Å; F64-Y89 HydrophobicContact CD1-CE2 3.86Å; F64-Y89 HydrophobicContact CD1-CG 4.08Å; F64-Y89 AromaticContact CE1-CD2 3.47Å; F64-Y89 HydrophobicContact CE1-CD2 3.47Å; F64-Y89 VanDerWaalsContact CE1-CD2 3.47Å; F64-Y89 AromaticContact CE1-CE2 3.42Å; F64-Y89 HydrophobicContact CE1-CE2 3.42Å; F64-Y89 VanDerWaalsContact CE1-CE2 3.42Å; F64-Y89 HydrophobicContact CE1-CG 4.42Å; F64-Y89 HydrophobicContact CG-CD2 4.26Å; F64-Y89 HydrophobicContact CZ-CD2 4.44Å; F64-Y89 HydrophobicContact CZ-CE2 4.18Å; L65-Y89 CarbonylContact C-O 3.52Å; L65-Y89 WeakPolarHBondContact CA-O 3.04Å; L65-Y89 VanDerWaalsContact CB-O 3.28Å; L65-Y89 WeakPolarHBondContact CB-O 3.33Å; L65-Y89 PolarHBondContact N-O 2.91Å; Q66-Y89 PolarHBondContact N-O 3.32Å; Q66-Y89 VanDerWaalsContact OE1-CB 3.31Å; Y89-Y91 HydrophobicContact CD1-CD1 4.12Å; Y89-Y91 AromaticContact CD1-CE1 3.79Å; Y89-Y91 HydrophobicContact CD1-CE1 3.79Å; Y89-Y91 HydrophobicContact CG-CE1 4.25Å; Y89-H110 HydrophobicContact CD1-CB 3.96Å; Y89-H110 AromaticContact CD1-CD2 3.3Å; Y89-H110 WeakPolarHBondContact CD1-CD2 3.04Å; Y89-H110 AromaticContact CD1-CG 3.72Å; Y89-H110 AromaticContact CD1-NE2 3.98Å; Y89-H110 AromaticContact CE1-CD2 3.13Å; Y89-H110 WeakPolarHBondContact CE1-CD2 3.24Å; Y89-H110 AromaticContact CE1-CG 3.85Å; Y89-H110 AromaticContact CE1-NE2 3.31Å; Y89-H110 VanDerWaalsContact CE1-NE2 3.31Å; Y89-H110 WeakPolarHBondContact CE1-NE2 3.21Å; Y89-H110 AromaticContact CZ-CD2 3.92Å; Y89-H110 AromaticContact CZ-NE2 3.95Å
90	L	97.9	Very high	95.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.			trans	-122.1	14.4	179	-86.1	167.6	0	0	0	112.6	I52 L65 I70 I88 N93 L95 L109 H110 L111 N114	I52-L90 HydrophobicContact CD1-CD2 4.49Å; L65-L90 HydrophobicContact CB-CD2 3.63Å; L65-L90 HydrophobicContact CB-CG 4.2Å; L65-L90 HydrophobicContact CD1-CD2 4.06Å; L65-L90 HydrophobicContact CD1-CG 4.35Å; L65-L90 HydrophobicContact CG-CD2 4.48Å; I70-L90 HydrophobicContact CD1-CD2 4.11Å; I88-L90 HydrophobicContact CG2-CB 4.43Å; I88-L90 HydrophobicContact CG2-CD1 3.61Å; I88-L90 HydrophobicContact CG2-CG 3.65Å; L90-N93 PolarHBondContact O-ND2 2.84Å; L90-L95 HydrophobicContact CB-CD1 4.44Å; L90-L109 HydrophobicContact CD1-CD1 4.46Å; L90-H110 CarbonylContact C-O 3.33Å; L90-H110 VanDerWaalsContact C-O 3.3Å; L90-H110 VanDerWaalsContact CA-O 3.29Å; L90-H110 WeakPolarHBondContact CA-O 3.37Å; L90-H110 WeakPolarHBondContact CB-O 3.33Å; L90-H110 PolarHBondContact N-O 3.42Å; L90-L111 HydrophobicContact CB-CD2 3.7Å; L90-L111 HydrophobicContact CD1-CD2 4.11Å; L90-N114 PolarHBondContact O-ND2 3.17Å
91	Y	97.6	Very high	95.9	Very high	35 Å²	35	40.8 Å²	40.8	14%	0.137	22%	0.22	C	C	.	.			trans	-65.3	156.7	178.3	66.5	-95.2	0	0	0	112.5	Q66 N67 Y89 N93 H110 Q112	Q66-Y91 WeakPolarHBondContact CA-O 3.36Å; Q66-Y91 HydrophobicContact CB-CD1 3.7Å; Q66-Y91 HydrophobicContact CB-CD2 3.73Å; Q66-Y91 HydrophobicContact CB-CE1 3.47Å; Q66-Y91 VanDerWaalsContact CB-CE1 3.47Å; Q66-Y91 HydrophobicContact CB-CE2 3.5Å; Q66-Y91 HydrophobicContact CB-CG 3.82Å; Q66-Y91 WeakPolarHBondContact CB-O 3.36Å; Q66-Y91 HydrophobicContact CG-CD1 4.5Å; Q66-Y91 HydrophobicContact CG-CD2 4.46Å; Q66-Y91 HydrophobicContact CG-CE1 3.78Å; Q66-Y91 HydrophobicContact CG-CE2 3.74Å; Q66-Y91 WeakPolarHBondContact CG-OH 3.34Å; N67-Y91 PolarHBondContact N-O 2.95Å; N67-Y91 VanDerWaalsContact N-O 3.1Å; Y89-Y91 HydrophobicContact CD1-CD1 4.12Å; Y89-Y91 AromaticContact CD1-CE1 3.79Å; Y89-Y91 HydrophobicContact CD1-CE1 3.79Å; Y89-Y91 HydrophobicContact CG-CE1 4.25Å; Y91-N93 PolarHBondContact O-ND2 2.99Å; Y91-H110 HydrophobicContact CD1-CB 4.32Å; Y91-H110 PolarHBondContact N-O 3.42Å; Y91-H110 VanDerWaalsContact N-O 3.17Å; Y91-Q112 CarbonylContact C-O 3.17Å; Y91-Q112 WeakPolarHBondContact CA-O 3.35Å; Y91-Q112 VanDerWaalsContact CB-O 3.23Å; Y91-Q112 WeakPolarHBondContact CB-O 3.31Å
92	C	96.9	Very high	96.1	Very high	11 Å²	11	38.8 Å²	38.8	7%	0.074	20%	0.199	C	C	.	.	S	Bend	trans	52.2	62.6	-175.4	-75.3	0	0	0	0	112.8	N67 N68 Q112 E113 C563	N67-C92 VanDerWaalsContact CA-O 3.27Å; N67-C92 WeakPolarHBondContact CA-O 3.03Å; N67-C92 PolarHBondContact N-O 2.8Å; N67-C92 VanDerWaalsContact OD1-CB 3.28Å; N67-C92 WeakPolarHBondContact OD1-CB 3.48Å; N68-C92 PolarHBondContact N-O 3.39Å; C92-Q112 PolarHBondContact N-O 3.43Å; C92-E113 VanDerWaalsContact CA-O 3.28Å; C92-E113 WeakPolarHBondContact CA-O 3.21Å; C92-E113 PolarHBondContact N-O 3.37Å; C92-E113 VanDerWaalsContact SG-CB 3.58Å; C92-C563 HydrophobicContact CB-CB 3.73Å; C92-C563 WeakPolarHBondContact CB-SG 3.39Å; C92-C563 WeakPolarHBondContact SG-CB 3.35Å; C92-C563 CovalentContact SG-SG 2.04Å; C92-C563 PolarHBondContact SG-SG 2.65Å
93	N	97.3	Very high	96.2	Very high	11 Å²	11	38.4 Å²	38.4	6%	0.059	20%	0.197	C	C	.	.	S	Bend	trans	-132.2	-168.2	174.9	-87.5	-74	0	0	0	110.2	L65 N68 R69 I70 L90 Y91 L95 N114	L65-N93 PolarHBondContact O-ND2 3.39Å; N68-N93 WeakPolarHBondContact CA-OD1 3.5Å; N68-N93 WeakPolarHBondContact CB-OD1 3.22Å; N68-N93 PolarHBondContact O-OD1 3.18Å; R69-N93 PolarHBondContact N-OD1 3.05Å; I70-N93 HydrophobicContact CB-CB 4.42Å; I70-N93 VanDerWaalsContact CB-OD1 3.28Å; I70-N93 WeakPolarHBondContact CB-OD1 3.28Å; I70-N93 WeakPolarHBondContact CG1-OD1 3.28Å; I70-N93 PolarHBondContact N-OD1 3.34Å; L90-N93 PolarHBondContact O-ND2 2.84Å; Y91-N93 PolarHBondContact O-ND2 2.99Å; N93-L95 HydrophobicContact CB-CG 4.35Å; N93-N114 VanDerWaalsContact CA-OD1 3.23Å; N93-N114 WeakPolarHBondContact CA-OD1 2.94Å; N93-N114 WeakPolarHBondContact CB-OD1 3.01Å; N93-N114 PolarHBondContact N-OD1 3.49Å; N93-N114 PolarHBondContact O-OD1 2.88Å
94	N	96.8	Very high	96.3	Very high	79 Å²	79	40.9 Å²	40.9	42%	0.422	20%	0.195	S	C	.	.			trans	-115.6	42.4	179.9	-69.5	103.7	0	0	0	111.3	R69 I70 K71 N114	R69-N94 VanDerWaalsContact CA-OD1 3.23Å; R69-N94 WeakPolarHBondContact CA-OD1 3.4Å; R69-N94 WeakPolarHBondContact CB-OD1 3.07Å; I70-N94 CarbonylContact O-C 3.21Å; I70-N94 WeakPolarHBondContact O-CA 3.44Å; I70-N94 PolarHBondContact O-N 2.8Å; K71-N94 HydrophobicContact CG-CB 4.3Å; N94-N114 PolarHBondContact N-OD1 3.14Å
95	L	96.5	Very high	96.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.			trans	-76.4	127.2	176.3	-57.3	175.1	0	0	0	110	I70 I75 L90 N93 L111 N114 N115 V116	I70-L95 HydrophobicContact CG2-CD2 4.35Å; I70-L95 PolarHBondContact O-N 3.28Å; I75-L95 HydrophobicContact CD1-CD2 4.21Å; L90-L95 HydrophobicContact CB-CD1 4.44Å; N93-L95 HydrophobicContact CB-CG 4.35Å; L95-L111 HydrophobicContact CD1-CD2 3.54Å; L95-N114 HydrophobicContact CB-CB 4.13Å; L95-N114 WeakPolarHBondContact CB-OD1 3.3Å; L95-N114 WeakPolarHBondContact CG-OD1 3.28Å; L95-N114 PolarHBondContact N-OD1 3.09Å; L95-N114 VanDerWaalsContact N-OD1 3.14Å; L95-N115 CarbonylContact O-C 3.21Å; L95-N115 VanDerWaalsContact O-CA 3.22Å; L95-N115 WeakPolarHBondContact O-CA 3.36Å; L95-N115 PolarHBondContact O-N 3.05Å; L95-V116 HydrophobicContact CB-CG2 4.03Å; L95-V116 PolarHBondContact O-N 3.06Å; L95-V116 VanDerWaalsContact O-N 3.14Å
96	D	93.1	Very high	96.3	Very high	76 Å²	76	38.1 Å²	38.1	41%	0.406	19%	0.186	S	C	.	.	S	Bend	trans	-100.1	-22.4	178.7	-63	-47.5	0	0	0	112.2	S72 N115 V116 R117	S72-D96 PolarHBondContact OG-N 2.82Å; D96-N115 CarbonylContact C-O 2.99Å; D96-N115 WeakPolarHBondContact CA-O 3.27Å; D96-N115 PolarHBondContact OD1-ND2 2.88Å; D96-V116 WeakPolarHBondContact O-CA 3.23Å; D96-R117 PolarHBondContact O-N 3.47Å
97	E	94.3	Very high	96.3	Very high	112 Å²	112	37.6 Å²	37.6	52%	0.523	18%	0.183	S	C	.	.	B	Isolated β-bridge	trans	-134.5	158	179.9	-66.1	177.6	-174.9	0	0	110.1	S72	S72-E97 PolarHBondContact OG-N 3.46Å; S72-E97 PolarHBondContact OG-O 3.49Å
98	F	96.6	Very high	96.3	Very high	7 Å²	7	36.3 Å²	36.3	3%	0.031	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-56.4	129.5	175.8	-164.7	-82.5	0	0	0	110.5	T100 L102 L109 L111 V116 M118 I119 S123 L124 I127 L133 L135	F98-T100 PolarHBondContact O-N 3.31Å; F98-L102 HydrophobicContact CE1-CD1 4.33Å; F98-L109 HydrophobicContact CE1-CD2 4.34Å; F98-L109 HydrophobicContact CE2-CD2 4.47Å; F98-L109 HydrophobicContact CZ-CD2 3.75Å; F98-L111 HydrophobicContact CD2-CD1 4.09Å; F98-L111 HydrophobicContact CE2-CD1 3.75Å; F98-L111 HydrophobicContact CZ-CD1 4.21Å; F98-V116 HydrophobicContact CB-CG1 4.48Å; F98-M118 PolarHBondContact N-O 2.04Å; F98-I119 HydrophobicContact CD2-CG1 4.35Å; F98-I119 HydrophobicContact CD2-CG2 4.38Å; F98-S123 WeakPolarHBondContact CD1-OG 3.18Å; F98-L124 HydrophobicContact CE1-CD2 4Å; F98-L124 HydrophobicContact CE2-CD2 3.99Å; F98-L124 HydrophobicContact CZ-CD2 3.54Å; F98-L124 HydrophobicContact CZ-CG 4.45Å; F98-I127 HydrophobicContact CE1-CD1 4.08Å; F98-I127 HydrophobicContact CZ-CD1 4.01Å; F98-L133 HydrophobicContact CE2-CD1 3.99Å; F98-L133 HydrophobicContact CE2-CD2 4.13Å; F98-L133 HydrophobicContact CZ-CD1 4.2Å; F98-L135 HydrophobicContact CD2-CD2 4.39Å; F98-L135 HydrophobicContact CE2-CD1 4.38Å; F98-L135 HydrophobicContact CE2-CD2 4.47Å
99	P	95.8	Very high	96.3	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-61.7	133.8	-174.2	26.5	-38.2	0	0	0	112.6	I75 L102 L111	I75-P99 HydrophobicContact CD1-CB 3.23Å; P99-L102 HydrophobicContact CB-CD1 4.31Å; P99-L102 HydrophobicContact CB-CD2 4.22Å; P99-L102 HydrophobicContact CB-CG 4.28Å; P99-L102 HydrophobicContact CG-CD1 3.82Å; P99-L102 HydrophobicContact CG-CD2 4.4Å; P99-L102 HydrophobicContact CG-CG 4.33Å; P99-L111 HydrophobicContact CG-CD1 3.98Å; P99-L111 HydrophobicContact CG-CD2 3.9Å
100	T	92.8	Very high	96.3	Very high	59 Å²	59	34.2 Å²	34.2	36%	0.362	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-100.2	169	170.8	57.9	0	0	0	0	110.4	I75 F98 L102	I75-T100 VanDerWaalsContact CG2-O 3.23Å; I75-T100 WeakPolarHBondContact CG2-O 3.43Å; F98-T100 PolarHBondContact O-N 3.31Å; T100-L102 VanDerWaalsContact C-N 3.3Å; T100-L102 PolarHBondContact O-N 3.18Å
101	N	94.9	Very high	96.3	Very high	41 Å²	41	34.2 Å²	34.2	22%	0.219	17%	0.17	C	C	.	.	S	Bend	trans	67.6	23.8	-178.8	-50.9	-48.1	0	0	0	115	I75 R80	I75-N101 HydrophobicContact CG2-CB 4.36Å; I75-N101 PolarHBondContact O-ND2 3.03Å; R80-N101 PolarHBondContact N-O 2.97Å
102	L	96.3	Very high	96.2	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	16%	0.163	C	C	.	.			trans	-71.7	153.6	176	-66.2	-179.8	0	0	0	112.1	L79 I88 F98 P99 T100 L106 L109 I127	L79-L102 HydrophobicContact CD2-CD2 4.26Å; I88-L102 HydrophobicContact CD1-CD2 4.14Å; F98-L102 HydrophobicContact CE1-CD1 4.33Å; P99-L102 HydrophobicContact CB-CD1 4.31Å; P99-L102 HydrophobicContact CB-CD2 4.22Å; P99-L102 HydrophobicContact CB-CG 4.28Å; P99-L102 HydrophobicContact CG-CD1 3.82Å; P99-L102 HydrophobicContact CG-CD2 4.4Å; P99-L102 HydrophobicContact CG-CG 4.33Å; T100-L102 VanDerWaalsContact C-N 3.3Å; T100-L102 PolarHBondContact O-N 3.18Å; L102-L106 HydrophobicContact CB-CD2 4.38Å; L102-L106 HydrophobicContact CD1-CD2 3.97Å; L102-L109 HydrophobicContact CD1-CD1 4.46Å; L102-L109 HydrophobicContact CD1-CD2 3.59Å; L102-I127 HydrophobicContact CB-CG2 3.62Å; L102-I127 HydrophobicContact CD1-CD1 4.1Å; L102-I127 HydrophobicContact CD1-CG2 4.26Å
103	P	95.5	Very high	96.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.			trans	-63.2	135.7	176	-17.8	29.8	0	0	0	112.2	L79 L82 V85 I88 G105 L106 I127	L79-P103 HydrophobicContact CG-CG 4.36Å; L82-P103 HydrophobicContact CB-CG 4.39Å; L82-P103 WeakPolarHBondContact O-CB 3.3Å; V85-P103 HydrophobicContact CB-CB 4.16Å; V85-P103 HydrophobicContact CB-CG 3.92Å; V85-P103 HydrophobicContact CG1-CG 4.08Å; I88-P103 HydrophobicContact CD1-CG 4.05Å; P103-G105 VanDerWaalsContact C-N 3.27Å; P103-G105 PolarHBondContact O-N 3.2Å; P103-L106 VanDerWaalsContact O-CB 3.23Å; P103-L106 WeakPolarHBondContact O-CB 3.09Å; P103-L106 PolarHBondContact O-N 3.1Å; P103-I127 WeakPolarHBondContact O-CG2 3.28Å
104	R	94.1	Very high	96.2	Very high	154 Å²	154	34.6 Å²	34.6	58%	0.581	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-31	-175.4	-170.6	177.8	-178.6	172.4	1.4	113.8	L106 P128 Y129	R104-L106 PolarHBondContact O-N 3.34Å; R104-P128 HydrophobicContact CG-CG 4.41Å; R104-Y129 WeakPolarHBondContact O-CD2 3.23Å
105	G	94.4	Very high	96.2	Very high	25 Å²	25	33 Å²	33	26%	0.258	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	5.4	-178.8	0	0	0	0	0	115	V85 P103 K107	V85-G105 CarbonylContact O-C 3.45Å; P103-G105 VanDerWaalsContact C-N 3.27Å; P103-G105 PolarHBondContact O-N 3.2Å; G105-K107 PolarHBondContact O-N 2.95Å
106	L	97.8	Very high	96.2	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.			trans	-63	129.9	-176.6	-172.1	69.1	0	0	0	111.8	V85 I88 L102 P103 R104 L109 I127 Y129 I130	V85-L106 HydrophobicContact CG1-CD1 4.32Å; V85-L106 PolarHBondContact O-N 2.81Å; I88-L106 HydrophobicContact CB-CD1 4.06Å; I88-L106 HydrophobicContact CD1-CD1 3.69Å; I88-L106 HydrophobicContact CD1-CD2 4.2Å; I88-L106 HydrophobicContact CG1-CD1 3.56Å; L102-L106 HydrophobicContact CB-CD2 4.38Å; L102-L106 HydrophobicContact CD1-CD2 3.97Å; P103-L106 VanDerWaalsContact O-CB 3.23Å; P103-L106 WeakPolarHBondContact O-CB 3.09Å; P103-L106 PolarHBondContact O-N 3.1Å; R104-L106 PolarHBondContact O-N 3.34Å; L106-L109 HydrophobicContact CD2-CB 3.99Å; L106-L109 HydrophobicContact CD2-CD1 4.17Å; L106-L109 HydrophobicContact CD2-CD2 4.09Å; L106-L109 HydrophobicContact CD2-CG 4.3Å; L106-I127 HydrophobicContact CB-CG2 4.09Å; L106-I127 HydrophobicContact CD2-CD1 4.4Å; L106-I127 HydrophobicContact CD2-CG2 4.09Å; L106-Y129 CarbonylContact O-C 3.48Å; L106-I130 HydrophobicContact CD2-CD1 4.3Å; L106-I130 HydrophobicContact CG-CD1 4.16Å; L106-I130 WeakPolarHBondContact O-CA 3.22Å; L106-I130 PolarHBondContact O-N 3.48Å
107	K	98.2	Very high	96.2	Very high	68 Å²	68	36 Å²	36	30%	0.296	17%	0.169	S	C	.	.			trans	-111.6	-37.4	178.9	-65.9	176	179.8	163.7	0	112.7	E86 G105 I130 E131 E132	E86-K107 HydrophobicContact CB-CD 4.46Å; E86-K107 HydrophobicContact CG-CD 4.47Å; E86-K107 PolarHBondContact O-N 2.89Å; E86-K107 IonicContact OE1-NZ 3.7Å; E86-K107 PolarHBondContact OE1-NZ 2.98Å; G105-K107 PolarHBondContact O-N 2.95Å; K107-I130 WeakPolarHBondContact O-CD1 3.23Å; K107-E131 HydrophobicContact CB-CG 4.38Å; K107-E131 WeakPolarHBondContact O-CA 3.39Å; K107-E131 PolarHBondContact O-N 3.41Å; K107-E132 PolarHBondContact O-N 2.96Å
108	E	98.6	Very high	96.1	Very high	30 Å²	30	35.1 Å²	35.1	14%	0.14	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.9	-178.9	-59.4	177.6	-159.6	0	0	110.8	E86 K87 I88 E132	E86-E108 PolarHBondContact O-N 2.83Å; K87-E108 WeakPolarHBondContact CA-O 3.31Å; K87-E108 HydrophobicContact CB-CB 4.34Å; K87-E108 VanDerWaalsContact CD-OE2 3.23Å; K87-E108 WeakPolarHBondContact CD-OE2 3.47Å; K87-E108 VanDerWaalsContact CE-CD 3.4Å; K87-E108 WeakPolarHBondContact CE-OE1 3.4Å; K87-E108 VanDerWaalsContact CE-OE2 3.24Å; K87-E108 WeakPolarHBondContact CE-OE2 3.28Å; K87-E108 HydrophobicContact CG-CB 4.04Å; K87-E108 HydrophobicContact CG-CG 4.34Å; K87-E108 IonicContact NZ-OE1 3.35Å; K87-E108 PolarHBondContact NZ-OE1 2.98Å; K87-E108 IonicContact NZ-OE2 2.89Å; K87-E108 PolarHBondContact NZ-OE2 2.97Å; I88-E108 PolarHBondContact N-O 3.17Å; E108-E132 WeakPolarHBondContact CA-O 3.48Å; E108-E132 HydrophobicContact CB-CB 4.43Å; E108-E132 HydrophobicContact CG-CB 4.06Å; E108-E132 HydrophobicContact CG-CG 4.07Å
109	L	98.6	Very high	96	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	120.4	-179.3	-178.8	56	0	0	0	111.2	I88 L90 F98 L102 L106 L111 I127 I130 E132 L133 H134	I88-L109 HydrophobicContact CB-CD1 4.07Å; I88-L109 HydrophobicContact CG2-CD1 4.18Å; L90-L109 HydrophobicContact CD1-CD1 4.46Å; F98-L109 HydrophobicContact CE1-CD2 4.34Å; F98-L109 HydrophobicContact CE2-CD2 4.47Å; F98-L109 HydrophobicContact CZ-CD2 3.75Å; L102-L109 HydrophobicContact CD1-CD1 4.46Å; L102-L109 HydrophobicContact CD1-CD2 3.59Å; L106-L109 HydrophobicContact CD2-CB 3.99Å; L106-L109 HydrophobicContact CD2-CD1 4.17Å; L106-L109 HydrophobicContact CD2-CD2 4.09Å; L106-L109 HydrophobicContact CD2-CG 4.3Å; L109-L111 HydrophobicContact CD1-CD1 4.44Å; L109-L111 HydrophobicContact CD1-CD2 4.12Å; L109-L111 HydrophobicContact CD1-CG 4.05Å; L109-L111 HydrophobicContact CD2-CD1 3.75Å; L109-L111 HydrophobicContact CD2-CG 4.24Å; L109-L111 HydrophobicContact CG-CD1 3.91Å; L109-L111 HydrophobicContact CG-CD2 4.44Å; L109-L111 HydrophobicContact CG-CG 3.86Å; L109-I127 HydrophobicContact CD2-CD1 4.06Å; L109-I130 HydrophobicContact CB-CD1 3.72Å; L109-E132 PolarHBondContact N-O 3.17Å; L109-L133 HydrophobicContact CB-CD1 4.01Å; L109-L133 HydrophobicContact CD2-CD1 3.91Å; L109-L133 HydrophobicContact CG-CD1 4.05Å; L109-H134 PolarHBondContact O-N 3.32Å
110	H	98.6	Very high	96	Very high	8 Å²	8	36.8 Å²	36.8	4%	0.037	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	110.3	179.7	-65.7	-78.1	0	0	0	110.9	I88 Y89 L90 Y91 Q112 H134	I88-H110 PolarHBondContact O-N 3.45Å; Y89-H110 HydrophobicContact CD1-CB 3.96Å; Y89-H110 AromaticContact CD1-CD2 3.3Å; Y89-H110 WeakPolarHBondContact CD1-CD2 3.04Å; Y89-H110 AromaticContact CD1-CG 3.72Å; Y89-H110 AromaticContact CD1-NE2 3.98Å; Y89-H110 AromaticContact CE1-CD2 3.13Å; Y89-H110 WeakPolarHBondContact CE1-CD2 3.24Å; Y89-H110 AromaticContact CE1-CG 3.85Å; Y89-H110 AromaticContact CE1-NE2 3.31Å; Y89-H110 VanDerWaalsContact CE1-NE2 3.31Å; Y89-H110 WeakPolarHBondContact CE1-NE2 3.21Å; Y89-H110 AromaticContact CZ-CD2 3.92Å; Y89-H110 AromaticContact CZ-NE2 3.95Å; L90-H110 CarbonylContact C-O 3.33Å; L90-H110 VanDerWaalsContact C-O 3.3Å; L90-H110 VanDerWaalsContact CA-O 3.29Å; L90-H110 WeakPolarHBondContact CA-O 3.37Å; L90-H110 WeakPolarHBondContact CB-O 3.33Å; L90-H110 PolarHBondContact N-O 3.42Å; Y91-H110 HydrophobicContact CD1-CB 4.32Å; Y91-H110 PolarHBondContact N-O 3.42Å; Y91-H110 VanDerWaalsContact N-O 3.17Å; H110-Q112 VanDerWaalsContact CB-OE1 3.23Å; H110-Q112 PolarHBondContact ND1-NE2 2.89Å; H110-H134 AromaticContact CE1-CD2 3.32Å; H110-H134 PolarHBondContact CE1-CD2 3.48Å; H110-H134 AromaticContact CE1-CE1 3.88Å; H110-H134 AromaticContact CE1-CG 3.98Å; H110-H134 AromaticContact CE1-NE2 3.22Å; H110-H134 PolarHBondContact CE1-NE2 2.82Å; H110-H134 AromaticContact ND1-CD2 3.17Å; H110-H134 PolarHBondContact ND1-CD2 3.4Å; H110-H134 AromaticContact ND1-CG 3.47Å; H110-H134 AromaticContact ND1-ND1 3.97Å; H110-H134 AromaticContact ND1-NE2 3.55Å
111	L	98.1	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.172	C	C	.	.			trans	-122.4	19.1	-177.5	-64.6	169.5	0	0	0	112.9	L90 L95 F98 P99 L109 N114 L133 H134 L135 N138	L90-L111 HydrophobicContact CB-CD2 3.7Å; L90-L111 HydrophobicContact CD1-CD2 4.11Å; L95-L111 HydrophobicContact CD1-CD2 3.54Å; F98-L111 HydrophobicContact CD2-CD1 4.09Å; F98-L111 HydrophobicContact CE2-CD1 3.75Å; F98-L111 HydrophobicContact CZ-CD1 4.21Å; P99-L111 HydrophobicContact CG-CD1 3.98Å; P99-L111 HydrophobicContact CG-CD2 3.9Å; L109-L111 HydrophobicContact CD1-CD1 4.44Å; L109-L111 HydrophobicContact CD1-CD2 4.12Å; L109-L111 HydrophobicContact CD1-CG 4.05Å; L109-L111 HydrophobicContact CD2-CD1 3.75Å; L109-L111 HydrophobicContact CD2-CG 4.24Å; L109-L111 HydrophobicContact CG-CD1 3.91Å; L109-L111 HydrophobicContact CG-CD2 4.44Å; L109-L111 HydrophobicContact CG-CG 3.86Å; L111-N114 PolarHBondContact O-ND2 3.22Å; L111-L133 HydrophobicContact CD1-CD1 4.35Å; L111-H134 CarbonylContact C-O 3.54Å; L111-H134 WeakPolarHBondContact CA-O 3.23Å; L111-H134 WeakPolarHBondContact CB-O 3.38Å; L111-H134 PolarHBondContact N-O 3.14Å; L111-L135 HydrophobicContact CB-CD2 3.84Å; L111-L135 HydrophobicContact CD1-CD2 3.75Å; L111-L135 HydrophobicContact CG-CD2 4.46Å; L111-N138 PolarHBondContact O-ND2 2.82Å
112	Q	96.1	Very high	96	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.			trans	-63.7	156.3	-175.9	-50.2	93.2	-40.8	0	0	112.5	Y91 C92 H110 N114 H134 D136 Y565	Y91-Q112 CarbonylContact C-O 3.17Å; Y91-Q112 WeakPolarHBondContact CA-O 3.35Å; Y91-Q112 VanDerWaalsContact CB-O 3.23Å; Y91-Q112 WeakPolarHBondContact CB-O 3.31Å; C92-Q112 PolarHBondContact N-O 3.43Å; H110-Q112 VanDerWaalsContact CB-OE1 3.23Å; H110-Q112 PolarHBondContact ND1-NE2 2.89Å; Q112-N114 PolarHBondContact O-N 3.04Å; Q112-N114 PolarHBondContact O-ND2 2.92Å; Q112-H134 HydrophobicContact CG-CB 3.8Å; Q112-H134 PolarHBondContact NE2-ND1 2.9Å; Q112-D136 CarbonylContact C-O 3.59Å; Q112-D136 WeakPolarHBondContact CA-O 3.23Å; Q112-D136 HydrophobicContact CB-CB 4.14Å; Q112-D136 HydrophobicContact CG-CB 3.73Å; Q112-D136 VanDerWaalsContact CG-OD2 3.3Å; Q112-D136 WeakPolarHBondContact CG-OD2 3.13Å; Q112-Y565 HydrophobicContact CB-CE2 4.34Å; Q112-Y565 HydrophobicContact CG-CE2 4.05Å; Q112-Y565 PolarHBondContact NE2-OH 2.96Å
113	E	96.1	Very high	95.9	Very high	47 Å²	47	37.8 Å²	37.8	22%	0.22	19%	0.187	C	C	.	.	S	Bend	trans	53.8	49.7	178	-63.9	-169.3	-115.5	0	0	112.6	C92 D136 D137 R561	C92-E113 VanDerWaalsContact CA-O 3.28Å; C92-E113 WeakPolarHBondContact CA-O 3.21Å; C92-E113 PolarHBondContact N-O 3.37Å; C92-E113 VanDerWaalsContact SG-CB 3.58Å; E113-D136 PolarHBondContact N-O 3.45Å; E113-D137 VanDerWaalsContact CA-O 3.27Å; E113-D137 WeakPolarHBondContact CA-O 3.4Å; E113-D137 HydrophobicContact CB-CB 4.48Å; E113-D137 HydrophobicContact CG-CB 3.85Å; E113-D137 PolarHBondContact N-O 2.98Å; E113-R561 IonicContact OE2-NH2 3.16Å; E113-R561 PolarHBondContact OE2-NH2 3.33Å
114	N	96.8	Very high	95.9	Very high	17 Å²	17	37.8 Å²	37.8	9%	0.091	19%	0.187	C	C	.	.	S	Bend	trans	-119.6	-166.6	171	-82.9	-83.7	0	0	0	109	L90 N93 N94 L95 L111 Q112 V116 D137 N138	L90-N114 PolarHBondContact O-ND2 3.17Å; N93-N114 VanDerWaalsContact CA-OD1 3.23Å; N93-N114 WeakPolarHBondContact CA-OD1 2.94Å; N93-N114 WeakPolarHBondContact CB-OD1 3.01Å; N93-N114 PolarHBondContact N-OD1 3.49Å; N93-N114 PolarHBondContact O-OD1 2.88Å; N94-N114 PolarHBondContact N-OD1 3.14Å; L95-N114 HydrophobicContact CB-CB 4.13Å; L95-N114 WeakPolarHBondContact CB-OD1 3.3Å; L95-N114 WeakPolarHBondContact CG-OD1 3.28Å; L95-N114 PolarHBondContact N-OD1 3.09Å; L95-N114 VanDerWaalsContact N-OD1 3.14Å; L111-N114 PolarHBondContact O-ND2 3.22Å; Q112-N114 PolarHBondContact O-N 3.04Å; Q112-N114 PolarHBondContact O-ND2 2.92Å; N114-V116 HydrophobicContact CB-CG2 4.1Å; N114-D137 PolarHBondContact N-O 2.91Å; N114-N138 WeakPolarHBondContact CA-OD1 3.5Å; N114-N138 WeakPolarHBondContact CB-OD1 3.21Å; N114-N138 PolarHBondContact O-OD1 3.3Å
115	N	96.3	Very high	95.9	Very high	45 Å²	45	32.1 Å²	32.1	24%	0.241	17%	0.173	C	C	.	.			trans	-118.3	33.2	174.2	-178.2	40.4	0	0	0	110.4	L95 D96 R117 S139	L95-N115 CarbonylContact O-C 3.21Å; L95-N115 VanDerWaalsContact O-CA 3.22Å; L95-N115 WeakPolarHBondContact O-CA 3.36Å; L95-N115 PolarHBondContact O-N 3.05Å; D96-N115 CarbonylContact C-O 2.99Å; D96-N115 WeakPolarHBondContact CA-O 3.27Å; D96-N115 PolarHBondContact OD1-ND2 2.88Å; N115-R117 PolarHBondContact ND2-NH2 2.88Å; N115-R117 PolarHBondContact O-N 3.11Å; N115-R117 PolarHBondContact OD1-NE 3Å; N115-R117 PolarHBondContact OD1-NH2 3.01Å; N115-S139 PolarHBondContact OD1-OG 2.73Å
116	V	96.6	Very high	95.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.			trans	-63.8	122.9	-177.8	178.5	0	0	0	0	108.9	L95 D96 F98 N114 L135 N138 S139 V140	L95-V116 HydrophobicContact CB-CG2 4.03Å; L95-V116 PolarHBondContact O-N 3.06Å; L95-V116 VanDerWaalsContact O-N 3.14Å; D96-V116 WeakPolarHBondContact O-CA 3.23Å; F98-V116 HydrophobicContact CB-CG1 4.48Å; N114-V116 HydrophobicContact CB-CG2 4.1Å; V116-L135 HydrophobicContact CG1-CD2 4.4Å; V116-N138 HydrophobicContact CB-CB 4.31Å; V116-N138 VanDerWaalsContact CB-OD1 3.27Å; V116-N138 WeakPolarHBondContact CB-OD1 3.3Å; V116-N138 WeakPolarHBondContact CG2-OD1 3.39Å; V116-N138 PolarHBondContact N-OD1 3.02Å; V116-S139 CarbonylContact O-C 3.3Å; V116-S139 WeakPolarHBondContact O-CA 3.4Å; V116-S139 PolarHBondContact O-N 3.2Å; V116-V140 HydrophobicContact CG1-CG2 4.28Å; V116-V140 WeakPolarHBondContact O-CG2 3.2Å; V116-V140 PolarHBondContact O-N 2.97Å
117	R	93.7	Very high	95.8	Very high	139 Å²	139	33.1 Å²	33.1	53%	0.525	17%	0.171	S	C	.	.			trans	-106.8	-50.8	177.3	-67.1	170.5	-169.8	177.4	1.3	111.4	D96 N115 S144	D96-R117 PolarHBondContact O-N 3.47Å; N115-R117 PolarHBondContact ND2-NH2 2.88Å; N115-R117 PolarHBondContact O-N 3.11Å; N115-R117 PolarHBondContact OD1-NE 3Å; N115-R117 PolarHBondContact OD1-NH2 3.01Å; R117-S144 WeakPolarHBondContact O-CB 3.06Å; R117-S144 PolarHBondContact O-OG 2.63Å
118	M	92.4	Very high	95.7	Very high	95 Å²	95	31 Å²	31	47%	0.468	16%	0.164	S	C	.	.	B	Isolated β-bridge	trans	-103.2	135.3	-170.8	-167.7	178.3	-68.7	0	0	112.1	F98 T120 S144	F98-M118 PolarHBondContact N-O 2.04Å; M118-T120 HydrophobicContact CG-CG2 3.9Å; M118-T120 HydrophobicContact SD-CG2 3.9Å; M118-S144 WeakPolarHBondContact CA-O 3.29Å
119	I	95.4	Very high	95.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-124.4	117.4	172.3	-54.4	179.8	0	0	0	107.7	F98 L124 L135 V140 S144 I145 E146 A149 F150	F98-I119 HydrophobicContact CD2-CG1 4.35Å; F98-I119 HydrophobicContact CD2-CG2 4.38Å; I119-L124 HydrophobicContact CG2-CD1 3.58Å; I119-L124 HydrophobicContact CG2-CG 4.15Å; I119-L135 HydrophobicContact CD1-CD1 3.65Å; I119-V140 HydrophobicContact CD1-CG1 3.93Å; I119-V140 HydrophobicContact CD1-CG2 4.19Å; I119-V140 HydrophobicContact CG1-CG1 4.41Å; I119-S144 PolarHBondContact N-O 3.02Å; I119-I145 HydrophobicContact CB-CG1 4.39Å; I119-I145 HydrophobicContact CD1-CG1 4.23Å; I119-E146 PolarHBondContact O-N 3.24Å; I119-A149 HydrophobicContact CG2-CB 4.32Å; I119-F150 HydrophobicContact CD1-CZ 4.49Å; I119-F150 HydrophobicContact CG2-CZ 4.49Å
120	T	95	Very high	95.6	Very high	43 Å²	43	34.7 Å²	34.7	26%	0.264	18%	0.177	S	C	.	.			trans	-110.8	150.3	-178.1	63	0	0	0	0	111	M118 A122 S123 L124 E146	M118-T120 HydrophobicContact CG-CG2 3.9Å; M118-T120 HydrophobicContact SD-CG2 3.9Å; T120-A122 PolarHBondContact O-N 2.94Å; T120-S123 PolarHBondContact O-N 3.4Å; T120-S123 VanDerWaalsContact O-N 3.12Å; T120-S123 PolarHBondContact O-OG 3.17Å; T120-S123 WeakPolarHBondContact OG1-CB 3.34Å; T120-S123 PolarHBondContact OG1-N 3.2Å; T120-S123 PolarHBondContact OG1-OG 2.81Å; T120-L124 PolarHBondContact O-N 3.03Å; T120-E146 VanDerWaalsContact CA-OE2 3.25Å; T120-E146 WeakPolarHBondContact CA-OE2 3.4Å; T120-E146 VanDerWaalsContact CB-OE2 3.29Å; T120-E146 WeakPolarHBondContact CB-OE2 3.45Å
121	H	94.6	Very high	95.6	Very high	56 Å²	56	37 Å²	37	26%	0.259	19%	0.188	S	C	.	.	H	α-helix	trans	-54.3	-43.4	172.9	176.2	-96.3	0	0	0	111.2	S123 L124 A125 E146 G148 D152	H121-S123 PolarHBondContact O-N 3.42Å; H121-L124 PolarHBondContact O-N 3.21Å; H121-A125 VanDerWaalsContact O-CB 3.24Å; H121-A125 WeakPolarHBondContact O-CB 3.31Å; H121-A125 PolarHBondContact O-N 2.91Å; H121-E146 PolarHBondContact N-OE2 3.48Å; H121-G148 PolarHBondContact CD2-O 3.27Å; H121-D152 IonicContact CE1-OD2 2.57Å; H121-D152 PolarHBondContact CE1-OD2 2.95Å; H121-D152 IonicContact NE2-OD2 2.83Å; H121-D152 PolarHBondContact NE2-OD2 2.93Å
122	A	93.8	Very high	95.6	Very high	63 Å²	63	39 Å²	39	52%	0.521	20%	0.198	S	C	.	.	H	α-helix	trans	-61.5	-28.6	-179.7	0	0	0	0	0	113.8	T120 Q126	T120-A122 PolarHBondContact O-N 2.94Å; A122-Q126 WeakPolarHBondContact O-CG 3.34Å; A122-Q126 PolarHBondContact O-NE2 3.12Å
123	S	94.2	Very high	95.7	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-77.8	-44.5	177.8	70.5	0	0	0	0	112	F98 T120 H121 Q126	F98-S123 WeakPolarHBondContact CD1-OG 3.18Å; T120-S123 PolarHBondContact O-N 3.4Å; T120-S123 VanDerWaalsContact O-N 3.12Å; T120-S123 PolarHBondContact O-OG 3.17Å; T120-S123 WeakPolarHBondContact OG1-CB 3.34Å; T120-S123 PolarHBondContact OG1-N 3.2Å; T120-S123 PolarHBondContact OG1-OG 2.81Å; H121-S123 PolarHBondContact O-N 3.42Å; S123-Q126 WeakPolarHBondContact O-CB 3.27Å; S123-Q126 PolarHBondContact O-N 3.22Å
124	L	95.5	Very high	95.8	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-73.7	-32.6	179.2	-73.3	170.7	0	0	0	113	F98 I119 T120 H121 Q126 I127 L133 A149 F150	F98-L124 HydrophobicContact CE1-CD2 4Å; F98-L124 HydrophobicContact CE2-CD2 3.99Å; F98-L124 HydrophobicContact CZ-CD2 3.54Å; F98-L124 HydrophobicContact CZ-CG 4.45Å; I119-L124 HydrophobicContact CG2-CD1 3.58Å; I119-L124 HydrophobicContact CG2-CG 4.15Å; T120-L124 PolarHBondContact O-N 3.03Å; H121-L124 PolarHBondContact O-N 3.21Å; L124-Q126 PolarHBondContact O-N 3.27Å; L124-Q126 VanDerWaalsContact O-N 3.08Å; L124-I127 HydrophobicContact CD2-CD1 4.33Å; L124-I127 CarbonylContact O-C 3.55Å; L124-I127 WeakPolarHBondContact O-CG1 3.41Å; L124-I127 PolarHBondContact O-N 3.28Å; L124-L133 HydrophobicContact CD2-CD2 4.19Å; L124-A149 HydrophobicContact CD1-CB 4.11Å; L124-A149 VanDerWaalsContact CD1-O 3.25Å; L124-A149 WeakPolarHBondContact CD1-O 3.42Å; L124-F150 HydrophobicContact CD1-CD1 3.53Å; L124-F150 HydrophobicContact CD1-CE1 3.6Å; L124-F150 HydrophobicContact CD1-CG 4.09Å; L124-F150 HydrophobicContact CD1-CZ 4.2Å
125	A	94.4	Very high	95.9	Very high	35 Å²	35	36.5 Å²	36.5	29%	0.289	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.7	175.6	0	0	0	0	0	113.4	H121 I127	H121-A125 VanDerWaalsContact O-CB 3.24Å; H121-A125 WeakPolarHBondContact O-CB 3.31Å; H121-A125 PolarHBondContact O-N 2.91Å; A125-I127 VanDerWaalsContact C-N 3.32Å
126	Q	93.5	Very high	95.9	Very high	46 Å²	46	34.5 Å²	34.5	22%	0.215	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-24.5	175	-64.9	171.3	42.2	0	0	112.8	A122 S123 L124 P128	A122-Q126 WeakPolarHBondContact O-CG 3.34Å; A122-Q126 PolarHBondContact O-NE2 3.12Å; S123-Q126 WeakPolarHBondContact O-CB 3.27Å; S123-Q126 PolarHBondContact O-N 3.22Å; L124-Q126 PolarHBondContact O-N 3.27Å; L124-Q126 VanDerWaalsContact O-N 3.08Å; Q126-P128 WeakPolarHBondContact O-CD 3.15Å
127	I	96.5	Very high	95.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.			trans	-122.6	60.9	-176.1	52.8	168.4	0	0	0	111.1	F98 L102 P103 L106 L109 L124 A125 Y129 I130	F98-I127 HydrophobicContact CE1-CD1 4.08Å; F98-I127 HydrophobicContact CZ-CD1 4.01Å; L102-I127 HydrophobicContact CB-CG2 3.62Å; L102-I127 HydrophobicContact CD1-CD1 4.1Å; L102-I127 HydrophobicContact CD1-CG2 4.26Å; P103-I127 WeakPolarHBondContact O-CG2 3.28Å; L106-I127 HydrophobicContact CB-CG2 4.09Å; L106-I127 HydrophobicContact CD2-CD1 4.4Å; L106-I127 HydrophobicContact CD2-CG2 4.09Å; L109-I127 HydrophobicContact CD2-CD1 4.06Å; L124-I127 HydrophobicContact CD2-CD1 4.33Å; L124-I127 CarbonylContact O-C 3.55Å; L124-I127 WeakPolarHBondContact O-CG1 3.41Å; L124-I127 PolarHBondContact O-N 3.28Å; A125-I127 VanDerWaalsContact C-N 3.32Å; I127-Y129 PolarHBondContact O-N 3.25Å; I127-Y129 VanDerWaalsContact O-N 3.13Å; I127-I130 HydrophobicContact CD1-CB 4.32Å; I127-I130 HydrophobicContact CD1-CD1 4.31Å; I127-I130 HydrophobicContact CD1-CG1 4.39Å; I127-I130 WeakPolarHBondContact O-CB 3.37Å; I127-I130 WeakPolarHBondContact O-CG2 3.21Å; I127-I130 PolarHBondContact O-N 3.38Å
128	P	95.6	Very high	96.1	Very high	24 Å²	24	30.6 Å²	30.6	16%	0.156	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-18.2	-171.7	29.4	-37	0	0	0	113.8	R104 Q126 Y155	R104-P128 HydrophobicContact CG-CG 4.41Å; Q126-P128 WeakPolarHBondContact O-CD 3.15Å; P128-Y155 WeakPolarHBondContact O-CD2 3.47Å
129	Y	96.9	Very high	96.3	Very high	106 Å²	106	27.5 Å²	27.5	42%	0.416	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	12.4	-179.7	-58.2	-69.5	0	0	0	113.5	R104 L106 I127 E131 Y155	R104-Y129 WeakPolarHBondContact O-CD2 3.23Å; L106-Y129 CarbonylContact O-C 3.48Å; I127-Y129 PolarHBondContact O-N 3.25Å; I127-Y129 VanDerWaalsContact O-N 3.13Å; Y129-E131 PolarHBondContact O-N 2.95Å; Y129-Y155 AromaticContact CD1-CD2 3.86Å; Y129-Y155 HydrophobicContact CD1-CD2 3.86Å; Y129-Y155 AromaticContact CD1-CE2 3.63Å; Y129-Y155 HydrophobicContact CD1-CE2 3.63Å; Y129-Y155 AromaticContact CE1-CE2 3.9Å; Y129-Y155 HydrophobicContact CE1-CE2 3.9Å
130	I	97.9	Very high	96.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.			trans	-61.7	131	177.9	-166.8	74.2	0	0	0	110.5	L106 K107 L109 I127 L133 Y155 L156	L106-I130 HydrophobicContact CD2-CD1 4.3Å; L106-I130 HydrophobicContact CG-CD1 4.16Å; L106-I130 WeakPolarHBondContact O-CA 3.22Å; L106-I130 PolarHBondContact O-N 3.48Å; K107-I130 WeakPolarHBondContact O-CD1 3.23Å; L109-I130 HydrophobicContact CB-CD1 3.72Å; I127-I130 HydrophobicContact CD1-CB 4.32Å; I127-I130 HydrophobicContact CD1-CD1 4.31Å; I127-I130 HydrophobicContact CD1-CG1 4.39Å; I127-I130 WeakPolarHBondContact O-CB 3.37Å; I127-I130 WeakPolarHBondContact O-CG2 3.21Å; I127-I130 PolarHBondContact O-N 3.38Å; I130-L133 HydrophobicContact CG1-CB 4.49Å; I130-Y155 CarbonylContact O-C 3.12Å; I130-L156 HydrophobicContact CG1-CD1 4.39Å; I130-L156 HydrophobicContact CG2-CD1 4.23Å; I130-L156 VanDerWaalsContact O-CA 3.24Å; I130-L156 WeakPolarHBondContact O-CA 3.36Å; I130-L156 PolarHBondContact O-N 2.73Å
131	E	98.4	Very high	96.3	Very high	56 Å²	56	27.2 Å²	27.2	26%	0.262	15%	0.152	S	C	.	.			trans	-111.1	-39.3	180	-63.7	-176	-151.4	0	0	111.7	K107 Y129 Y155 R157 L158	K107-E131 HydrophobicContact CB-CG 4.38Å; K107-E131 WeakPolarHBondContact O-CA 3.39Å; K107-E131 PolarHBondContact O-N 3.41Å; Y129-E131 PolarHBondContact O-N 2.95Å; E131-Y155 WeakPolarHBondContact CA-O 3.5Å; E131-R157 PolarHBondContact O-N 3.03Å; E131-L158 PolarHBondContact O-N 2.85Å
132	E	98.6	Very high	96	Very high	44 Å²	44	25.5 Å²	25.5	21%	0.206	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	120.7	-179.3	-50.3	-169.8	171.7	0	0	110.7	K107 E108 L109 L158	K107-E132 PolarHBondContact O-N 2.96Å; E108-E132 WeakPolarHBondContact CA-O 3.48Å; E108-E132 HydrophobicContact CB-CB 4.43Å; E108-E132 HydrophobicContact CG-CB 4.06Å; E108-E132 HydrophobicContact CG-CG 4.07Å; L109-E132 PolarHBondContact N-O 3.17Å; E132-L158 HydrophobicContact CB-CB 4.33Å; E132-L158 HydrophobicContact CB-CD1 4.4Å; E132-L158 VanDerWaalsContact CD-CD1 3.48Å; E132-L158 HydrophobicContact CG-CB 4.27Å; E132-L158 HydrophobicContact CG-CD1 3.71Å; E132-L158 HydrophobicContact CG-CG 4.11Å; E132-L158 WeakPolarHBondContact OE1-CD1 3.24Å
133	L	98.4	Very high	95.8	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	116.8	178.6	-178.1	58.9	0	0	0	111	F98 L109 L111 L124 I130 L135 F150 L156 L158 L159 F160	F98-L133 HydrophobicContact CE2-CD1 3.99Å; F98-L133 HydrophobicContact CE2-CD2 4.13Å; F98-L133 HydrophobicContact CZ-CD1 4.2Å; L109-L133 HydrophobicContact CB-CD1 4.01Å; L109-L133 HydrophobicContact CD2-CD1 3.91Å; L109-L133 HydrophobicContact CG-CD1 4.05Å; L111-L133 HydrophobicContact CD1-CD1 4.35Å; L124-L133 HydrophobicContact CD2-CD2 4.19Å; I130-L133 HydrophobicContact CG1-CB 4.49Å; L133-L135 HydrophobicContact CD1-CD1 4.34Å; L133-L135 HydrophobicContact CD1-CG 4.29Å; L133-L135 HydrophobicContact CD2-CD1 3.8Å; L133-L135 HydrophobicContact CG-CD1 3.92Å; L133-L135 HydrophobicContact CG-CG 4.2Å; L133-F150 HydrophobicContact CD2-CE1 4.1Å; L133-L156 HydrophobicContact CB-CD1 3.82Å; L133-L158 PolarHBondContact N-O 3.42Å; L133-L159 HydrophobicContact CB-CD1 4.24Å; L133-L159 HydrophobicContact CD2-CD1 3.97Å; L133-L159 HydrophobicContact CG-CD1 4.21Å; L133-F160 PolarHBondContact O-N 3.35Å
134	H	98.4	Very high	95.7	Very high	9 Å²	9	29.8 Å²	29.8	4%	0.042	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.1	177.1	-58.2	-108.5	0	0	0	111.2	L109 H110 L111 Q112 D136 F160	L109-H134 PolarHBondContact O-N 3.32Å; H110-H134 AromaticContact CE1-CD2 3.32Å; H110-H134 PolarHBondContact CE1-CD2 3.48Å; H110-H134 AromaticContact CE1-CE1 3.88Å; H110-H134 AromaticContact CE1-CG 3.98Å; H110-H134 AromaticContact CE1-NE2 3.22Å; H110-H134 PolarHBondContact CE1-NE2 2.82Å; H110-H134 AromaticContact ND1-CD2 3.17Å; H110-H134 PolarHBondContact ND1-CD2 3.4Å; H110-H134 AromaticContact ND1-CG 3.47Å; H110-H134 AromaticContact ND1-ND1 3.97Å; H110-H134 AromaticContact ND1-NE2 3.55Å; L111-H134 CarbonylContact C-O 3.54Å; L111-H134 WeakPolarHBondContact CA-O 3.23Å; L111-H134 WeakPolarHBondContact CB-O 3.38Å; L111-H134 PolarHBondContact N-O 3.14Å; Q112-H134 HydrophobicContact CG-CB 3.8Å; Q112-H134 PolarHBondContact NE2-ND1 2.9Å; H134-D136 IonicContact ND1-OD2 3.92Å; H134-F160 AromaticContact CE1-CD2 3.4Å; H134-F160 WeakPolarHBondContact CE1-CD2 3.44Å; H134-F160 AromaticContact CE1-CE2 3.37Å; H134-F160 WeakPolarHBondContact CE1-CE2 3.44Å; H134-F160 AromaticContact ND1-CD2 3.21Å; H134-F160 WeakPolarHBondContact ND1-CD2 3.46Å; H134-F160 AromaticContact ND1-CE2 3.72Å
135	L	97.6	Very high	95.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.			trans	-125.5	24.8	178.6	-75.3	161.9	0	0	0	111.2	F98 L111 V116 I119 L133 N138 F160 L161 N164	F98-L135 HydrophobicContact CD2-CD2 4.39Å; F98-L135 HydrophobicContact CE2-CD1 4.38Å; F98-L135 HydrophobicContact CE2-CD2 4.47Å; L111-L135 HydrophobicContact CB-CD2 3.84Å; L111-L135 HydrophobicContact CD1-CD2 3.75Å; L111-L135 HydrophobicContact CG-CD2 4.46Å; V116-L135 HydrophobicContact CG1-CD2 4.4Å; I119-L135 HydrophobicContact CD1-CD1 3.65Å; L133-L135 HydrophobicContact CD1-CD1 4.34Å; L133-L135 HydrophobicContact CD1-CG 4.29Å; L133-L135 HydrophobicContact CD2-CD1 3.8Å; L133-L135 HydrophobicContact CG-CD1 3.92Å; L133-L135 HydrophobicContact CG-CG 4.2Å; L135-N138 PolarHBondContact O-ND2 3.14Å; L135-N138 VanDerWaalsContact O-ND2 3.1Å; L135-F160 CarbonylContact C-O 3.56Å; L135-F160 WeakPolarHBondContact CA-O 3.21Å; L135-F160 PolarHBondContact N-O 2.99Å; L135-L161 HydrophobicContact CB-CD2 3.58Å; L135-L161 HydrophobicContact CB-CG 4.2Å; L135-L161 HydrophobicContact CD1-CD2 4Å; L135-L161 HydrophobicContact CG-CD2 4.45Å; L135-N164 PolarHBondContact O-ND2 3.19Å
136	D	96.9	Very high	95.6	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	18%	0.179	C	C	.	.			trans	-57.4	149.4	177.3	-49.4	-78.2	0	0	0	111.6	Q112 E113 H134 N138 F160 S162	Q112-D136 CarbonylContact C-O 3.59Å; Q112-D136 WeakPolarHBondContact CA-O 3.23Å; Q112-D136 HydrophobicContact CB-CB 4.14Å; Q112-D136 HydrophobicContact CG-CB 3.73Å; Q112-D136 VanDerWaalsContact CG-OD2 3.3Å; Q112-D136 WeakPolarHBondContact CG-OD2 3.13Å; E113-D136 PolarHBondContact N-O 3.45Å; H134-D136 IonicContact ND1-OD2 3.92Å; D136-N138 PolarHBondContact O-N 3.43Å; D136-N138 PolarHBondContact O-ND2 2.86Å; D136-F160 WeakPolarHBondContact OD1-CB 3.4Å; D136-S162 CarbonylContact C-O 3.23Å; D136-S162 VanDerWaalsContact CA-O 3.26Å; D136-S162 WeakPolarHBondContact CA-O 3.49Å; D136-S162 WeakPolarHBondContact OD1-CB 3.18Å; D136-S162 PolarHBondContact OD1-N 3.43Å; D136-S162 PolarHBondContact OD1-OG 2.93Å
137	D	97.3	Very high	95.4	Very high	50 Å²	50	38.9 Å²	38.9	27%	0.267	20%	0.204	S	C	.	.	S	Bend	trans	54.2	53.8	175.5	-63	-78.1	0	0	0	113	E113 N114 S162 R163	E113-D137 VanDerWaalsContact CA-O 3.27Å; E113-D137 WeakPolarHBondContact CA-O 3.4Å; E113-D137 HydrophobicContact CB-CB 4.48Å; E113-D137 HydrophobicContact CG-CB 3.85Å; E113-D137 PolarHBondContact N-O 2.98Å; N114-D137 PolarHBondContact N-O 2.91Å; D137-S162 PolarHBondContact N-O 3.27Å; D137-R163 WeakPolarHBondContact CA-O 3.46Å; D137-R163 VanDerWaalsContact OD1-CD 3.27Å; D137-R163 WeakPolarHBondContact OD1-CD 3.24Å; D137-R163 IonicContact OD1-CZ 2.64Å; D137-R163 IonicContact OD1-NE 3.75Å; D137-R163 PolarHBondContact OD1-NE 3Å; D137-R163 IonicContact OD1-NH2 2.76Å; D137-R163 IonicContact OD2-CZ 2.94Å; D137-R163 VanDerWaalsContact OD2-CZ 3.24Å; D137-R163 IonicContact OD2-NE 3.24Å; D137-R163 PolarHBondContact OD2-NE 3.35Å; D137-R163 IonicContact OD2-NH2 2.78Å; D137-R163 PolarHBondContact OD2-NH2 3.38Å
138	N	97	Very high	94.9	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.032	21%	0.213	C	C	.	.	S	Bend	trans	-124.7	-168.2	174.4	-84	-82.1	0	0	0	109.9	L111 N114 V116 L135 D136 V140 N164	L111-N138 PolarHBondContact O-ND2 2.82Å; N114-N138 WeakPolarHBondContact CA-OD1 3.5Å; N114-N138 WeakPolarHBondContact CB-OD1 3.21Å; N114-N138 PolarHBondContact O-OD1 3.3Å; V116-N138 HydrophobicContact CB-CB 4.31Å; V116-N138 VanDerWaalsContact CB-OD1 3.27Å; V116-N138 WeakPolarHBondContact CB-OD1 3.3Å; V116-N138 WeakPolarHBondContact CG2-OD1 3.39Å; V116-N138 PolarHBondContact N-OD1 3.02Å; L135-N138 PolarHBondContact O-ND2 3.14Å; L135-N138 VanDerWaalsContact O-ND2 3.1Å; D136-N138 PolarHBondContact O-N 3.43Å; D136-N138 PolarHBondContact O-ND2 2.86Å; N138-V140 HydrophobicContact CB-CG2 4.17Å; N138-N164 WeakPolarHBondContact CA-OD1 3.27Å; N138-N164 WeakPolarHBondContact CB-OD1 3.11Å; N138-N164 PolarHBondContact O-OD1 2.72Å
139	S	96.1	Very high	94.8	Very high	31 Å²	31	38.7 Å²	38.7	22%	0.217	21%	0.206	C	C	.	.			trans	-118.4	33.4	179.1	-62.7	0	0	0	0	112	N115 V116 N164	N115-S139 PolarHBondContact OD1-OG 2.73Å; V116-S139 CarbonylContact O-C 3.3Å; V116-S139 WeakPolarHBondContact O-CA 3.4Å; V116-S139 PolarHBondContact O-N 3.2Å; S139-N164 PolarHBondContact N-OD1 3.41Å
140	V	96.1	Very high	94.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.187	C	C	.	.			trans	-73.3	135.4	-179.7	-175.3	0	0	0	0	109.8	V116 I119 N138 I145 L161 N164 H165 L166	V116-V140 HydrophobicContact CG1-CG2 4.28Å; V116-V140 WeakPolarHBondContact O-CG2 3.2Å; V116-V140 PolarHBondContact O-N 2.97Å; I119-V140 HydrophobicContact CD1-CG1 3.93Å; I119-V140 HydrophobicContact CD1-CG2 4.19Å; I119-V140 HydrophobicContact CG1-CG1 4.41Å; N138-V140 HydrophobicContact CB-CG2 4.17Å; V140-I145 HydrophobicContact CG1-CD1 3.79Å; V140-I145 HydrophobicContact CG1-CG1 3.66Å; V140-L161 HydrophobicContact CB-CD2 4.18Å; V140-L161 HydrophobicContact CG1-CD2 4.25Å; V140-L161 HydrophobicContact CG2-CD2 4.21Å; V140-N164 HydrophobicContact CB-CB 4.45Å; V140-N164 WeakPolarHBondContact CB-OD1 3.37Å; V140-N164 WeakPolarHBondContact CG2-OD1 3.33Å; V140-N164 PolarHBondContact N-OD1 2.86Å; V140-H165 CarbonylContact O-C 3.6Å; V140-H165 VanDerWaalsContact O-C 3.29Å; V140-H165 VanDerWaalsContact O-CA 3.3Å; V140-H165 WeakPolarHBondContact O-CA 3.46Å; V140-H165 PolarHBondContact O-N 3.25Å; V140-L166 HydrophobicContact CG1-CD2 4.34Å; V140-L166 PolarHBondContact O-N 3.26Å
141	S	94.1	Very high	94.3	Very high	36 Å²	36	42.9 Å²	42.9	25%	0.252	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-123	160.8	176.2	72.5	0	0	0	0	110.2	V143 S144 I145	S141-V143 PolarHBondContact O-N 2.64Å; S141-S144 PolarHBondContact N-OG 2.93Å; S141-S144 PolarHBondContact O-N 2.78Å; S141-S144 VanDerWaalsContact O-N 3.1Å; S141-S144 PolarHBondContact O-OG 2.75Å; S141-S144 WeakPolarHBondContact OG-CB 3.43Å; S141-S144 PolarHBondContact OG-N 2.76Å; S141-S144 PolarHBondContact OG-OG 2.85Å; S141-I145 PolarHBondContact O-N 2.93Å
142	A	89.3	Confident	94	Very high	20 Å²	20	43.1 Å²	43.1	17%	0.165	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-61.3	-32.7	-179.5	0	0	0	0	0	112.7	S144 T168	A142-S144 VanDerWaalsContact C-N 3.33Å; A142-T168 HydrophobicContact CB-CG2 3.64Å
143	V	90.1	Very high	93.8	Very high	138 Å²	138	41 Å²	41	84%	0.836	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-76.1	-23.2	179.2	-177.4	0	0	0	0	112.1	S141	S141-V143 PolarHBondContact O-N 2.64Å
144	S	91	Very high	93.7	Very high	19 Å²	19	45.9 Å²	45.9	13%	0.133	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-91	-2.3	-178.4	63.7	0	0	0	0	113.6	R117 M118 I119 S141 A142	R117-S144 WeakPolarHBondContact O-CB 3.06Å; R117-S144 PolarHBondContact O-OG 2.63Å; M118-S144 WeakPolarHBondContact CA-O 3.29Å; I119-S144 PolarHBondContact N-O 3.02Å; S141-S144 PolarHBondContact N-OG 2.93Å; S141-S144 PolarHBondContact O-N 2.78Å; S141-S144 VanDerWaalsContact O-N 3.1Å; S141-S144 PolarHBondContact O-OG 2.75Å; S141-S144 WeakPolarHBondContact OG-CB 3.43Å; S141-S144 PolarHBondContact OG-N 2.76Å; S141-S144 PolarHBondContact OG-OG 2.85Å; A142-S144 VanDerWaalsContact C-N 3.33Å
145	I	94.9	Very high	93.6	Very high	16 Å²	16	51.6 Å²	51.6	8%	0.082	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-92.3	118.5	166.5	-58.5	175.9	0	0	0	107.2	I119 V140 S141 A149 F150 L166 P170	I119-I145 HydrophobicContact CB-CG1 4.39Å; I119-I145 HydrophobicContact CD1-CG1 4.23Å; V140-I145 HydrophobicContact CG1-CD1 3.79Å; V140-I145 HydrophobicContact CG1-CG1 3.66Å; S141-I145 PolarHBondContact O-N 2.93Å; I145-A149 HydrophobicContact CG2-CB 3.93Å; I145-F150 HydrophobicContact CG2-CD2 4.5Å; I145-F150 HydrophobicContact CG2-CE2 3.86Å; I145-L166 HydrophobicContact CD1-CD2 4.1Å; I145-P170 HydrophobicContact CD1-CB 4.25Å; I145-P170 HydrophobicContact CD1-CG 4.18Å
146	E	93.4	Very high	93.6	Very high	96 Å²	96	51.6 Å²	51.6	45%	0.449	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-59.6	143.2	174.5	-172.3	179.3	174.7	0	0	110.7	I119 T120 H121 G148 A149	I119-E146 PolarHBondContact O-N 3.24Å; T120-E146 VanDerWaalsContact CA-OE2 3.25Å; T120-E146 WeakPolarHBondContact CA-OE2 3.4Å; T120-E146 VanDerWaalsContact CB-OE2 3.29Å; T120-E146 WeakPolarHBondContact CB-OE2 3.45Å; H121-E146 PolarHBondContact N-OE2 3.48Å; E146-G148 PolarHBondContact O-N 3.06Å; E146-A149 HydrophobicContact CB-CB 4.24Å; E146-A149 WeakPolarHBondContact O-CB 3.38Å; E146-A149 PolarHBondContact O-N 3.41Å
147	E	88.1	Confident	93.7	Very high	161 Å²	161	56 Å²	56	75%	0.752	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	124.7	178.8	-171.7	178.4	174.8	0	0	110.5	A149 I171	E147-A149 VanDerWaalsContact C-N 3.26Å; E147-A149 PolarHBondContact O-N 3.38Å; E147-I171 HydrophobicContact CG-CD1 4.24Å
148	G	87	Confident	93.8	Very high	17 Å²	17	55 Å²	55	18%	0.175	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	22.5	-175.5	0	0	0	0	0	114.1	H121 E146 F150 R151	H121-G148 PolarHBondContact CD2-O 3.27Å; E146-G148 PolarHBondContact O-N 3.06Å; G148-F150 PolarHBondContact O-N 3.22Å; G148-R151 WeakPolarHBondContact O-CB 3.27Å; G148-R151 PolarHBondContact O-N 3.32Å
149	A	94.1	Very high	93.8	Very high	2 Å²	2	54.8 Å²	54.8	2%	0.017	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-32.8	176.9	0	0	0	0	0	113.3	I119 L124 I145 E146 E147	I119-A149 HydrophobicContact CG2-CB 4.32Å; L124-A149 HydrophobicContact CD1-CB 4.11Å; L124-A149 VanDerWaalsContact CD1-O 3.25Å; L124-A149 WeakPolarHBondContact CD1-O 3.42Å; I145-A149 HydrophobicContact CG2-CB 3.93Å; E146-A149 HydrophobicContact CB-CB 4.24Å; E146-A149 WeakPolarHBondContact O-CB 3.38Å; E146-A149 PolarHBondContact O-N 3.41Å; E147-A149 VanDerWaalsContact C-N 3.26Å; E147-A149 PolarHBondContact O-N 3.38Å
150	F	94.5	Very high	93.9	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.009	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	7.4	-178.7	-58.6	-83	0	0	0	114.5	I119 L124 L133 I145 G148 D152 S153 L156 L159 L173 P174	I119-F150 HydrophobicContact CD1-CZ 4.49Å; I119-F150 HydrophobicContact CG2-CZ 4.49Å; L124-F150 HydrophobicContact CD1-CD1 3.53Å; L124-F150 HydrophobicContact CD1-CE1 3.6Å; L124-F150 HydrophobicContact CD1-CG 4.09Å; L124-F150 HydrophobicContact CD1-CZ 4.2Å; L133-F150 HydrophobicContact CD2-CE1 4.1Å; I145-F150 HydrophobicContact CG2-CD2 4.5Å; I145-F150 HydrophobicContact CG2-CE2 3.86Å; G148-F150 PolarHBondContact O-N 3.22Å; F150-D152 VanDerWaalsContact C-N 3.3Å; F150-D152 PolarHBondContact O-N 3.17Å; F150-S153 WeakPolarHBondContact O-CB 3.46Å; F150-S153 PolarHBondContact O-N 3.22Å; F150-S153 VanDerWaalsContact O-N 3.07Å; F150-L156 HydrophobicContact CD1-CD2 3.89Å; F150-L156 HydrophobicContact CE1-CD2 4.35Å; F150-L159 HydrophobicContact CE1-CD1 4.15Å; F150-L159 HydrophobicContact CE1-CD2 4.26Å; F150-L159 HydrophobicContact CZ-CD1 4.37Å; F150-L159 HydrophobicContact CZ-CD2 4.19Å; F150-L173 HydrophobicContact CD2-CD2 4.03Å; F150-L173 HydrophobicContact CE2-CD2 4.31Å; F150-P174 HydrophobicContact CB-CG 4.28Å
151	R	89.3	Confident	94	Very high	192 Å²	192	53.9 Å²	53.9	73%	0.725	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-38.5	-173.4	-176.6	178.7	-176.6	176.5	2.1	113.6	G148	G148-R151 WeakPolarHBondContact O-CB 3.27Å; G148-R151 PolarHBondContact O-N 3.32Å
152	D	91.6	Very high	94.2	Very high	62 Å²	62	52.3 Å²	52.3	33%	0.332	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-7.8	-179	-72.4	-19.9	0	0	0	113.2	H121 F150 N154	H121-D152 IonicContact CE1-OD2 2.57Å; H121-D152 PolarHBondContact CE1-OD2 2.95Å; H121-D152 IonicContact NE2-OD2 2.83Å; H121-D152 PolarHBondContact NE2-OD2 2.93Å; F150-D152 VanDerWaalsContact C-N 3.3Å; F150-D152 PolarHBondContact O-N 3.17Å; D152-N154 PolarHBondContact O-N 3.4Å; D152-N154 PolarHBondContact O-ND2 3.24Å
153	S	95.6	Very high	94.6	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.263	C	S	.	.			trans	-81.4	54.8	-179.1	-54.3	0	0	0	0	111.8	F150 Y155 L156	F150-S153 WeakPolarHBondContact O-CB 3.46Å; F150-S153 PolarHBondContact O-N 3.22Å; F150-S153 VanDerWaalsContact O-N 3.07Å; S153-Y155 PolarHBondContact O-N 2.67Å; S153-Y155 VanDerWaalsContact O-N 3.1Å; S153-L156 VanDerWaalsContact O-CB 3.31Å; S153-L156 WeakPolarHBondContact O-CB 3.37Å; S153-L156 PolarHBondContact O-N 3.05Å; S153-L156 VanDerWaalsContact O-N 3.08Å
154	N	94.6	Very high	94.9	Very high	103 Å²	103	49.7 Å²	49.7	55%	0.551	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.6	-171.5	-65.8	-62	0	0	0	114.3	D152 S176	D152-N154 PolarHBondContact O-N 3.4Å; D152-N154 PolarHBondContact O-ND2 3.24Å; N154-S176 WeakPolarHBondContact O-CB 3.32Å; N154-S176 PolarHBondContact O-OG 2.7Å
155	Y	97.3	Very high	95.2	Very high	129 Å²	129	53 Å²	53	51%	0.506	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	1	179.7	-62.5	-86.2	0	0	0	113.4	P128 Y129 I130 E131 S153 R157	P128-Y155 WeakPolarHBondContact O-CD2 3.47Å; Y129-Y155 AromaticContact CD1-CD2 3.86Å; Y129-Y155 HydrophobicContact CD1-CD2 3.86Å; Y129-Y155 AromaticContact CD1-CE2 3.63Å; Y129-Y155 HydrophobicContact CD1-CE2 3.63Å; Y129-Y155 AromaticContact CE1-CE2 3.9Å; Y129-Y155 HydrophobicContact CE1-CE2 3.9Å; I130-Y155 CarbonylContact O-C 3.12Å; E131-Y155 WeakPolarHBondContact CA-O 3.5Å; S153-Y155 PolarHBondContact O-N 2.67Å; S153-Y155 VanDerWaalsContact O-N 3.1Å; Y155-R157 WeakPolarHBondContact O-CG 3.4Å; Y155-R157 PolarHBondContact O-N 2.99Å
156	L	98.1	Very high	95.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	23%	0.234	C	C	.	.			trans	-69.4	116.2	-174.9	-175.1	66.7	0	0	0	110.8	I130 L133 F150 S153 L159 P174 S176 I177	I130-L156 HydrophobicContact CG1-CD1 4.39Å; I130-L156 HydrophobicContact CG2-CD1 4.23Å; I130-L156 VanDerWaalsContact O-CA 3.24Å; I130-L156 WeakPolarHBondContact O-CA 3.36Å; I130-L156 PolarHBondContact O-N 2.73Å; L133-L156 HydrophobicContact CB-CD1 3.82Å; F150-L156 HydrophobicContact CD1-CD2 3.89Å; F150-L156 HydrophobicContact CE1-CD2 4.35Å; S153-L156 VanDerWaalsContact O-CB 3.31Å; S153-L156 WeakPolarHBondContact O-CB 3.37Å; S153-L156 PolarHBondContact O-N 3.05Å; S153-L156 VanDerWaalsContact O-N 3.08Å; L156-L159 HydrophobicContact CD2-CB 4.29Å; L156-P174 HydrophobicContact CB-CG 4.11Å; L156-P174 HydrophobicContact CD2-CG 4.18Å; L156-S176 CarbonylContact O-C 3.39Å; L156-S176 VanDerWaalsContact O-C 3.23Å; L156-S176 PolarHBondContact O-OG 3.02Å; L156-S176 VanDerWaalsContact O-OG 3.1Å; L156-I177 WeakPolarHBondContact O-CA 3.46Å; L156-I177 WeakPolarHBondContact O-CG1 3.15Å; L156-I177 PolarHBondContact O-N 2.72Å
157	R	98.3	Very high	95.4	Very high	97 Å²	97	50.2 Å²	50.2	37%	0.366	23%	0.231	S	C	.	.			trans	-106.7	-38.4	-177.2	-68.2	169.4	71.4	-143.3	-6	112	E131 Y155 E178 E179	E131-R157 PolarHBondContact O-N 3.03Å; Y155-R157 WeakPolarHBondContact O-CG 3.4Å; Y155-R157 PolarHBondContact O-N 2.99Å; R157-E178 HydrophobicContact CB-CG 4.48Å; R157-E178 IonicContact CZ-OE1 2.72Å; R157-E178 IonicContact NE-OE1 3.92Å; R157-E178 PolarHBondContact NE-OE1 2.91Å; R157-E178 VanDerWaalsContact NH2-CD 3.35Å; R157-E178 IonicContact NH2-OE1 2.73Å; R157-E178 PolarHBondContact NH2-OE1 3.43Å; R157-E178 IonicContact NH2-OE2 2.99Å; R157-E178 PolarHBondContact NH2-OE2 3.3Å; R157-E178 PolarHBondContact O-N 3.39Å; R157-E179 PolarHBondContact O-N 3.32Å; R157-E179 VanDerWaalsContact O-N 3.09Å
158	L	98.6	Very high	95.8	Very high	29 Å²	29	44.3 Å²	44.3	15%	0.152	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.1	-178.5	-51	179.9	0	0	0	109.6	E131 E132 L133 F160 E179	E131-L158 PolarHBondContact O-N 2.85Å; E132-L158 HydrophobicContact CB-CB 4.33Å; E132-L158 HydrophobicContact CB-CD1 4.4Å; E132-L158 VanDerWaalsContact CD-CD1 3.48Å; E132-L158 HydrophobicContact CG-CB 4.27Å; E132-L158 HydrophobicContact CG-CD1 3.71Å; E132-L158 HydrophobicContact CG-CG 4.11Å; E132-L158 WeakPolarHBondContact OE1-CD1 3.24Å; L133-L158 PolarHBondContact N-O 3.42Å; L158-F160 HydrophobicContact CB-CE1 3.97Å; L158-F160 HydrophobicContact CB-CZ 4.13Å; L158-F160 HydrophobicContact CD1-CZ 4.3Å; L158-E179 HydrophobicContact CD2-CB 3.46Å; L158-E179 VanDerWaalsContact CD2-CB 3.46Å
159	L	98.3	Very high	96.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	110.2	174.6	174.7	64	0	0	0	109.8	L133 F150 L156 L161 L173 E179 L180 R181	L133-L159 HydrophobicContact CB-CD1 4.24Å; L133-L159 HydrophobicContact CD2-CD1 3.97Å; L133-L159 HydrophobicContact CG-CD1 4.21Å; F150-L159 HydrophobicContact CE1-CD1 4.15Å; F150-L159 HydrophobicContact CE1-CD2 4.26Å; F150-L159 HydrophobicContact CZ-CD1 4.37Å; F150-L159 HydrophobicContact CZ-CD2 4.19Å; L156-L159 HydrophobicContact CD2-CB 4.29Å; L159-L161 HydrophobicContact CD1-CD1 3.99Å; L159-L161 HydrophobicContact CD1-CG 4.27Å; L159-L161 HydrophobicContact CD2-CD1 4.08Å; L159-L161 HydrophobicContact CG-CD1 4.04Å; L159-L173 HydrophobicContact CD2-CD2 3.66Å; L159-E179 PolarHBondContact N-O 3.06Å; L159-E179 VanDerWaalsContact N-O 3.12Å; L159-L180 HydrophobicContact CB-CD2 3.86Å; L159-L180 HydrophobicContact CD2-CD2 4.12Å; L159-L180 HydrophobicContact CG-CD2 4.31Å; L159-R181 PolarHBondContact O-N 3.29Å
160	F	98.5	Very high	96.1	Very high	12 Å²	12	44 Å²	44	5%	0.053	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.7	179.9	-55.9	-13.9	0	0	0	110.1	L133 H134 L135 D136 L158 E179 R181	L133-F160 PolarHBondContact O-N 3.35Å; H134-F160 AromaticContact CE1-CD2 3.4Å; H134-F160 WeakPolarHBondContact CE1-CD2 3.44Å; H134-F160 AromaticContact CE1-CE2 3.37Å; H134-F160 WeakPolarHBondContact CE1-CE2 3.44Å; H134-F160 AromaticContact ND1-CD2 3.21Å; H134-F160 WeakPolarHBondContact ND1-CD2 3.46Å; H134-F160 AromaticContact ND1-CE2 3.72Å; L135-F160 CarbonylContact C-O 3.56Å; L135-F160 WeakPolarHBondContact CA-O 3.21Å; L135-F160 PolarHBondContact N-O 2.99Å; D136-F160 WeakPolarHBondContact OD1-CB 3.4Å; L158-F160 HydrophobicContact CB-CE1 3.97Å; L158-F160 HydrophobicContact CB-CZ 4.13Å; L158-F160 HydrophobicContact CD1-CZ 4.3Å; F160-E179 HydrophobicContact CE1-CB 4.21Å; F160-E179 HydrophobicContact CE1-CG 3.79Å; F160-E179 HydrophobicContact CZ-CG 4.45Å; F160-R181 HydrophobicContact CB-CB 4.28Å; F160-R181 HydrophobicContact CD1-CB 3.84Å; F160-R181 HydrophobicContact CD1-CG 3.66Å; F160-R181 HydrophobicContact CE1-CG 3.96Å; F160-R181 HydrophobicContact CG-CB 4.22Å; F160-R181 HydrophobicContact CG-CG 4.27Å
161	L	97.6	Very high	96	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.219	C	C	.	.			trans	-129.4	32.3	-179.1	-86.3	163.3	0	0	0	109.6	L135 V140 L159 N164 L166 R181 F182 N185	L135-L161 HydrophobicContact CB-CD2 3.58Å; L135-L161 HydrophobicContact CB-CG 4.2Å; L135-L161 HydrophobicContact CD1-CD2 4Å; L135-L161 HydrophobicContact CG-CD2 4.45Å; V140-L161 HydrophobicContact CB-CD2 4.18Å; V140-L161 HydrophobicContact CG1-CD2 4.25Å; V140-L161 HydrophobicContact CG2-CD2 4.21Å; L159-L161 HydrophobicContact CD1-CD1 3.99Å; L159-L161 HydrophobicContact CD1-CG 4.27Å; L159-L161 HydrophobicContact CD2-CD1 4.08Å; L159-L161 HydrophobicContact CG-CD1 4.04Å; L161-N164 PolarHBondContact O-ND2 3.19Å; L161-N164 VanDerWaalsContact O-ND2 3.16Å; L161-L166 HydrophobicContact CB-CD1 4.1Å; L161-L166 HydrophobicContact CD1-CD1 4.45Å; L161-R181 CarbonylContact C-O 3.21Å; L161-R181 PolarHBondContact N-O 2.59Å; L161-F182 HydrophobicContact CB-CD1 3.66Å; L161-F182 HydrophobicContact CB-CE1 3.74Å; L161-F182 HydrophobicContact CD1-CD1 4.45Å; L161-F182 HydrophobicContact CD1-CE1 3.71Å; L161-F182 HydrophobicContact CG-CE1 4.32Å; L161-N185 PolarHBondContact O-ND2 2.94Å
162	S	97.5	Very high	96	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.021	21%	0.206	C	C	.	.			trans	-62.3	149.3	178	-26.3	0	0	0	0	110.7	D136 D137 N164 R181 D183	D136-S162 CarbonylContact C-O 3.23Å; D136-S162 VanDerWaalsContact CA-O 3.26Å; D136-S162 WeakPolarHBondContact CA-O 3.49Å; D136-S162 WeakPolarHBondContact OD1-CB 3.18Å; D136-S162 PolarHBondContact OD1-N 3.43Å; D136-S162 PolarHBondContact OD1-OG 2.93Å; D137-S162 PolarHBondContact N-O 3.27Å; S162-N164 PolarHBondContact O-N 3.21Å; S162-N164 PolarHBondContact O-ND2 3.01Å; S162-R181 PolarHBondContact N-O 3.1Å; S162-D183 CarbonylContact C-O 3.55Å; S162-D183 VanDerWaalsContact CA-O 3.24Å; S162-D183 WeakPolarHBondContact CA-O 3.45Å; S162-D183 PolarHBondContact OG-OD1 3.44Å
163	R	97.4	Very high	96.1	Very high	99 Å²	99	38.1 Å²	38.1	37%	0.374	19%	0.193	S	C	.	.	S	Bend	trans	52.3	53.7	177.7	-65.8	-175	-66.3	-74.5	-5	113.4	D137 D183 D184	D137-R163 WeakPolarHBondContact CA-O 3.46Å; D137-R163 VanDerWaalsContact OD1-CD 3.27Å; D137-R163 WeakPolarHBondContact OD1-CD 3.24Å; D137-R163 IonicContact OD1-CZ 2.64Å; D137-R163 IonicContact OD1-NE 3.75Å; D137-R163 PolarHBondContact OD1-NE 3Å; D137-R163 IonicContact OD1-NH2 2.76Å; D137-R163 IonicContact OD2-CZ 2.94Å; D137-R163 VanDerWaalsContact OD2-CZ 3.24Å; D137-R163 IonicContact OD2-NE 3.24Å; D137-R163 PolarHBondContact OD2-NE 3.35Å; D137-R163 IonicContact OD2-NH2 2.78Å; D137-R163 PolarHBondContact OD2-NH2 3.38Å; R163-D183 PolarHBondContact N-O 3.43Å; R163-D184 WeakPolarHBondContact CA-O 3.48Å; R163-D184 HydrophobicContact CG-CB 3.55Å; R163-D184 IonicContact NH1-OD2 2.75Å
164	N	97	Very high	96.1	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	20%	0.197	C	C	.	.	S	Bend	trans	-119.2	-161.2	174.4	-86.4	-84.6	0	0	0	110.5	L135 N138 S139 V140 L161 S162 L166 N185	L135-N164 PolarHBondContact O-ND2 3.19Å; N138-N164 WeakPolarHBondContact CA-OD1 3.27Å; N138-N164 WeakPolarHBondContact CB-OD1 3.11Å; N138-N164 PolarHBondContact O-OD1 2.72Å; S139-N164 PolarHBondContact N-OD1 3.41Å; V140-N164 HydrophobicContact CB-CB 4.45Å; V140-N164 WeakPolarHBondContact CB-OD1 3.37Å; V140-N164 WeakPolarHBondContact CG2-OD1 3.33Å; V140-N164 PolarHBondContact N-OD1 2.86Å; L161-N164 PolarHBondContact O-ND2 3.19Å; L161-N164 VanDerWaalsContact O-ND2 3.16Å; S162-N164 PolarHBondContact O-N 3.21Å; S162-N164 PolarHBondContact O-ND2 3.01Å; N164-L166 HydrophobicContact CB-CG 4.44Å; N164-N185 VanDerWaalsContact CA-OD1 3.23Å; N164-N185 WeakPolarHBondContact CA-OD1 3.41Å; N164-N185 WeakPolarHBondContact CB-OD1 3.26Å; N164-N185 PolarHBondContact N-OD1 2.95Å; N164-N185 PolarHBondContact O-OD1 2.86Å
165	H	96.7	Very high	96.1	Very high	88 Å²	88	38.2 Å²	38.2	41%	0.407	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-117.5	32.7	-179.5	-55.7	-30.1	0	0	0	111.8	V140 N185	V140-H165 CarbonylContact O-C 3.6Å; V140-H165 VanDerWaalsContact O-C 3.29Å; V140-H165 VanDerWaalsContact O-CA 3.3Å; V140-H165 WeakPolarHBondContact O-CA 3.46Å; V140-H165 PolarHBondContact O-N 3.25Å; H165-N185 PolarHBondContact N-OD1 3.05Å
166	L	96.8	Very high	96.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.			trans	-70	130.5	178	-60.8	175.7	0	0	0	110.7	V140 I145 L161 N164 F182 N185 R186 I187	V140-L166 HydrophobicContact CG1-CD2 4.34Å; V140-L166 PolarHBondContact O-N 3.26Å; I145-L166 HydrophobicContact CD1-CD2 4.1Å; L161-L166 HydrophobicContact CB-CD1 4.1Å; L161-L166 HydrophobicContact CD1-CD1 4.45Å; N164-L166 HydrophobicContact CB-CG 4.44Å; L166-F182 HydrophobicContact CD1-CD1 3.77Å; L166-F182 HydrophobicContact CD1-CE1 4.12Å; L166-F182 HydrophobicContact CD1-CG 4.48Å; L166-N185 HydrophobicContact CB-CB 4.2Å; L166-N185 WeakPolarHBondContact CB-OD1 3.45Å; L166-N185 WeakPolarHBondContact CG-OD1 3.3Å; L166-N185 PolarHBondContact N-OD1 2.98Å; L166-N185 VanDerWaalsContact N-OD1 3.1Å; L166-R186 CarbonylContact O-C 3.56Å; L166-R186 VanDerWaalsContact O-CA 3.26Å; L166-R186 WeakPolarHBondContact O-CA 3.05Å; L166-R186 PolarHBondContact O-N 3.49Å; L166-I187 HydrophobicContact CB-CD1 4.4Å; L166-I187 HydrophobicContact CB-CG1 4.07Å; L166-I187 PolarHBondContact O-N 3.09Å; L166-I187 VanDerWaalsContact O-N 3.12Å
167	S	96.3	Very high	96.1	Very high	55 Å²	55	33.4 Å²	33.4	39%	0.385	18%	0.177	S	C	.	.	S	Bend	trans	-99.1	-20.2	173.6	53.9	0	0	0	0	113.5	R186 I187 S188	S167-R186 WeakPolarHBondContact CA-O 3.37Å; S167-I187 WeakPolarHBondContact O-CA 3.29Å; S167-S188 PolarHBondContact O-N 3.32Å
168	T	96.4	Very high	96.1	Very high	37 Å²	37	30.7 Å²	30.7	23%	0.227	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-147.6	161.8	176.2	-176.8	0	0	0	0	109	A142 S189	A142-T168 HydrophobicContact CB-CG2 3.64Å; T168-S189 PolarHBondContact OG1-O 2.84Å
169	I	95.6	Very high	96.1	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-70.4	131	167.5	-59.3	-176.6	0	0	0	108.5	L173 F182 I187 I190 L195 L206	I169-L173 HydrophobicContact CG2-CD1 3.98Å; I169-F182 HydrophobicContact CD1-CD2 4.23Å; I169-F182 HydrophobicContact CD1-CE2 4.37Å; I169-F182 HydrophobicContact CG1-CD2 4.1Å; I169-F182 HydrophobicContact CG1-CE2 4.21Å; I169-F182 HydrophobicContact CG2-CE2 3.81Å; I169-F182 HydrophobicContact CG2-CZ 4.47Å; I169-I187 HydrophobicContact CG1-CD1 4.25Å; I169-I190 HydrophobicContact CD1-CD1 4.16Å; I169-I190 HydrophobicContact CD1-CG1 3.97Å; I169-I190 HydrophobicContact CD1-CG2 4.04Å; I169-I190 HydrophobicContact CG1-CG1 4.37Å; I169-L195 HydrophobicContact CD1-CD1 4.24Å; I169-L195 HydrophobicContact CD1-CD2 4.02Å; I169-L195 HydrophobicContact CD1-CG 4.32Å; I169-L195 HydrophobicContact CG2-CD2 4.25Å; I169-L206 HydrophobicContact CD1-CD1 4.49Å; I169-L206 HydrophobicContact CD1-CD2 4.09Å
170	P	93.3	Very high	96.1	Very high	12 Å²	12	30.8 Å²	30.8	8%	0.078	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-66.9	144.5	178.1	27.4	-34.2	0	0	0	111.4	I145 L173	I145-P170 HydrophobicContact CD1-CB 4.25Å; I145-P170 HydrophobicContact CD1-CG 4.18Å; P170-L173 HydrophobicContact CG-CD1 4.42Å; P170-L173 HydrophobicContact CG-CD2 4.14Å; P170-L173 HydrophobicContact CG-CG 4.33Å
171	I	90.7	Very high	96.1	Very high	76 Å²	76	32.4 Å²	32.4	39%	0.39	17%	0.174	S	C	.	.	S	Bend	trans	-81.4	154.4	173.8	61.2	170.6	0	0	0	110.9	E147	E147-I171 HydrophobicContact CG-CD1 4.24Å
172	G	89.8	Confident	96.1	Very high	44 Å²	44	32.4 Å²	32.4	45%	0.454	17%	0.174	S	C	.	.			trans	78.2	29.9	177.2	0	0	0	0	0	114.4
173	L	94.6	Very high	96.1	Very high	11 Å²	11	33.4 Å²	33.4	6%	0.058	18%	0.179	C	C	.	.			trans	-68.8	139.7	168.4	-70.9	175.5	0	0	0	110.5	F150 L159 I169 P170 I177 L180 F182 L198	F150-L173 HydrophobicContact CD2-CD2 4.03Å; F150-L173 HydrophobicContact CE2-CD2 4.31Å; L159-L173 HydrophobicContact CD2-CD2 3.66Å; I169-L173 HydrophobicContact CG2-CD1 3.98Å; P170-L173 HydrophobicContact CG-CD1 4.42Å; P170-L173 HydrophobicContact CG-CD2 4.14Å; P170-L173 HydrophobicContact CG-CG 4.33Å; L173-I177 HydrophobicContact CB-CD1 4.02Å; L173-I177 HydrophobicContact CD2-CD1 4.25Å; L173-L180 HydrophobicContact CD1-CD1 4.02Å; L173-L180 HydrophobicContact CD1-CD2 4.48Å; L173-F182 HydrophobicContact CD1-CE2 4.42Å; L173-F182 HydrophobicContact CD1-CZ 4.18Å; L173-L198 HydrophobicContact CB-CD1 4.46Å; L173-L198 HydrophobicContact CB-CD2 4.01Å; L173-L198 HydrophobicContact CD1-CD1 4.3Å
174	P	94.9	Very high	96.2	Very high	13 Å²	13	31 Å²	31	8%	0.084	17%	0.174	C	C	.	.			trans	-70.2	141.6	-176.2	24.2	-32.5	0	0	0	112.6	F150 L156 S176 I177 L198	F150-P174 HydrophobicContact CB-CG 4.28Å; L156-P174 HydrophobicContact CB-CG 4.11Å; L156-P174 HydrophobicContact CD2-CG 4.18Å; P174-S176 PolarHBondContact O-N 3.37Å; P174-S176 VanDerWaalsContact O-N 3.11Å; P174-I177 HydrophobicContact CG-CD1 3.75Å; P174-I177 HydrophobicContact CG-CG1 3.98Å; P174-I177 WeakPolarHBondContact O-CG1 3.36Å; P174-I177 PolarHBondContact O-N 2.77Å; P174-L198 WeakPolarHBondContact O-CD2 3.34Å
175	M	94.8	Very high	96.2	Very high	93 Å²	93	31.3 Å²	31.3	46%	0.458	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.4	179.6	177.7	-176.6	-65.7	0	0	113.8	I177 D197 I199 N200	M175-I177 PolarHBondContact O-N 2.94Å; M175-D197 HydrophobicContact CE-CB 4.48Å; M175-D197 WeakPolarHBondContact CG-O 3.23Å; M175-I199 HydrophobicContact CE-CD1 4.45Å; M175-I199 HydrophobicContact CG-CD1 4.32Å; M175-I199 HydrophobicContact CG-CG1 3.8Å; M175-I199 HydrophobicContact SD-CD1 3.83Å; M175-I199 HydrophobicContact SD-CG1 3.97Å; M175-N200 WeakPolarHBondContact O-CB 3.36Å; M175-N200 PolarHBondContact O-ND2 2.91Å
176	S	96.8	Very high	96.2	Very high	27 Å²	27	34.9 Å²	34.9	19%	0.189	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-10.1	179.3	41.8	0	0	0	0	114.4	N154 L156 P174 E178	N154-S176 WeakPolarHBondContact O-CB 3.32Å; N154-S176 PolarHBondContact O-OG 2.7Å; L156-S176 CarbonylContact O-C 3.39Å; L156-S176 VanDerWaalsContact O-C 3.23Å; L156-S176 PolarHBondContact O-OG 3.02Å; L156-S176 VanDerWaalsContact O-OG 3.1Å; P174-S176 PolarHBondContact O-N 3.37Å; P174-S176 VanDerWaalsContact O-N 3.11Å; S176-E178 PolarHBondContact O-N 3.45Å
177	I	97.8	Very high	96.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.			trans	-64.5	131.9	-177.6	-71.7	170	0	0	0	111.5	L156 L173 P174 M175 L180 N200 L201	L156-I177 WeakPolarHBondContact O-CA 3.46Å; L156-I177 WeakPolarHBondContact O-CG1 3.15Å; L156-I177 PolarHBondContact O-N 2.72Å; L173-I177 HydrophobicContact CB-CD1 4.02Å; L173-I177 HydrophobicContact CD2-CD1 4.25Å; P174-I177 HydrophobicContact CG-CD1 3.75Å; P174-I177 HydrophobicContact CG-CG1 3.98Å; P174-I177 WeakPolarHBondContact O-CG1 3.36Å; P174-I177 PolarHBondContact O-N 2.77Å; M175-I177 PolarHBondContact O-N 2.94Å; I177-L180 HydrophobicContact CD1-CD2 4.08Å; I177-L180 HydrophobicContact CG2-CD1 4.21Å; I177-L180 HydrophobicContact CG2-CD2 3.62Å; I177-L180 HydrophobicContact CG2-CG 3.55Å; I177-N200 CarbonylContact O-C 3.45Å; I177-N200 VanDerWaalsContact O-C 3.26Å; I177-L201 HydrophobicContact CG2-CD1 3.78Å; I177-L201 WeakPolarHBondContact O-CA 3.49Å; I177-L201 PolarHBondContact O-N 2.87Å
178	E	98.3	Very high	96.3	Very high	41 Å²	41	34.9 Å²	34.9	19%	0.192	19%	0.185	C	C	.	.			trans	-109.6	-31.4	176.2	-64.3	-173.1	-148.5	0	0	112.5	R157 S176 K202 R203	R157-E178 HydrophobicContact CB-CG 4.48Å; R157-E178 IonicContact CZ-OE1 2.72Å; R157-E178 IonicContact NE-OE1 3.92Å; R157-E178 PolarHBondContact NE-OE1 2.91Å; R157-E178 VanDerWaalsContact NH2-CD 3.35Å; R157-E178 IonicContact NH2-OE1 2.73Å; R157-E178 PolarHBondContact NH2-OE1 3.43Å; R157-E178 IonicContact NH2-OE2 2.99Å; R157-E178 PolarHBondContact NH2-OE2 3.3Å; R157-E178 PolarHBondContact O-N 3.39Å; S176-E178 PolarHBondContact O-N 3.45Å; E178-K202 HydrophobicContact CB-CD 4.49Å; E178-K202 WeakPolarHBondContact O-CA 3.42Å; E178-K202 WeakPolarHBondContact O-CB 3.15Å; E178-K202 PolarHBondContact O-N 2.99Å; E178-K202 IonicContact OE2-NZ 3.21Å; E178-K202 PolarHBondContact OE2-NZ 3.29Å; E178-R203 PolarHBondContact O-N 2.81Å; E178-R203 VanDerWaalsContact O-N 3.08Å
179	E	98.6	Very high	96.4	Very high	30 Å²	30	35.4 Å²	35.4	14%	0.14	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	125.7	178.6	-171.8	170.2	174.2	0	0	111.7	R157 L158 L159 F160 R181 R203	R157-E179 PolarHBondContact O-N 3.32Å; R157-E179 VanDerWaalsContact O-N 3.09Å; L158-E179 HydrophobicContact CD2-CB 3.46Å; L158-E179 VanDerWaalsContact CD2-CB 3.46Å; L159-E179 PolarHBondContact N-O 3.06Å; L159-E179 VanDerWaalsContact N-O 3.12Å; F160-E179 HydrophobicContact CE1-CB 4.21Å; F160-E179 HydrophobicContact CE1-CG 3.79Å; F160-E179 HydrophobicContact CZ-CG 4.45Å; E179-R181 HydrophobicContact CG-CG 4.42Å; E179-R181 IonicContact OE1-CZ 3.71Å; E179-R181 IonicContact OE1-NE 2.83Å; E179-R181 PolarHBondContact OE1-NE 2.67Å; E179-R181 IonicContact OE1-NH2 2.67Å; E179-R181 PolarHBondContact OE1-NH2 3.47Å; E179-R203 WeakPolarHBondContact CA-O 3.43Å; E179-R203 HydrophobicContact CB-CB 4.4Å; E179-R203 HydrophobicContact CG-CB 3.95Å; E179-R203 HydrophobicContact CG-CG 4.08Å; E179-R203 IonicContact OE1-CZ 4Å; E179-R203 IonicContact OE1-NH1 3.06Å; E179-R203 PolarHBondContact OE1-NH1 2.83Å
180	L	98.5	Very high	96.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.8	172.3	-72.5	178.5	0	0	0	110.4	L159 L173 I177 F182 L198 L201 R203 L204 I205	L159-L180 HydrophobicContact CB-CD2 3.86Å; L159-L180 HydrophobicContact CD2-CD2 4.12Å; L159-L180 HydrophobicContact CG-CD2 4.31Å; L173-L180 HydrophobicContact CD1-CD1 4.02Å; L173-L180 HydrophobicContact CD1-CD2 4.48Å; I177-L180 HydrophobicContact CD1-CD2 4.08Å; I177-L180 HydrophobicContact CG2-CD1 4.21Å; I177-L180 HydrophobicContact CG2-CD2 3.62Å; I177-L180 HydrophobicContact CG2-CG 3.55Å; L180-F182 HydrophobicContact CB-CE2 4.26Å; L180-F182 HydrophobicContact CD1-CE2 4.03Å; L180-F182 HydrophobicContact CD1-CZ 4.45Å; L180-F182 HydrophobicContact CD2-CE2 4.27Å; L180-F182 HydrophobicContact CD2-CZ 3.96Å; L180-F182 HydrophobicContact CG-CE2 4.42Å; L180-L198 HydrophobicContact CD1-CD1 3.64Å; L180-L201 HydrophobicContact CB-CD1 4.09Å; L180-L201 HydrophobicContact CD1-CD1 3.96Å; L180-L201 HydrophobicContact CD1-CD2 4.21Å; L180-L201 HydrophobicContact CG-CD1 3.72Å; L180-R203 PolarHBondContact N-O 2.84Å; L180-L204 HydrophobicContact CB-CD1 3.8Å; L180-L204 HydrophobicContact CD1-CD1 4.34Å; L180-I205 PolarHBondContact O-N 3.21Å
181	R	98.5	Very high	96.5	Very high	47 Å²	47	37.2 Å²	37.2	18%	0.177	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	113.1	171.1	-64.2	-170.5	-171.5	177.7	8.6	110.1	L159 F160 L161 S162 E179 I205	L159-R181 PolarHBondContact O-N 3.29Å; F160-R181 HydrophobicContact CB-CB 4.28Å; F160-R181 HydrophobicContact CD1-CB 3.84Å; F160-R181 HydrophobicContact CD1-CG 3.66Å; F160-R181 HydrophobicContact CE1-CG 3.96Å; F160-R181 HydrophobicContact CG-CB 4.22Å; F160-R181 HydrophobicContact CG-CG 4.27Å; L161-R181 CarbonylContact C-O 3.21Å; L161-R181 PolarHBondContact N-O 2.59Å; S162-R181 PolarHBondContact N-O 3.1Å; E179-R181 HydrophobicContact CG-CG 4.42Å; E179-R181 IonicContact OE1-CZ 3.71Å; E179-R181 IonicContact OE1-NE 2.83Å; E179-R181 PolarHBondContact OE1-NE 2.67Å; E179-R181 IonicContact OE1-NH2 2.67Å; E179-R181 PolarHBondContact OE1-NH2 3.47Å; R181-I205 HydrophobicContact CG-CB 4.28Å; R181-I205 HydrophobicContact CG-CG1 4.2Å
182	F	98.1	Very high	96.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.			trans	-125	25.4	175.6	-62.8	-43	0	0	0	110.8	L161 L166 I169 L173 L180 N185 I187 I205 L206 N209	L161-F182 HydrophobicContact CB-CD1 3.66Å; L161-F182 HydrophobicContact CB-CE1 3.74Å; L161-F182 HydrophobicContact CD1-CD1 4.45Å; L161-F182 HydrophobicContact CD1-CE1 3.71Å; L161-F182 HydrophobicContact CG-CE1 4.32Å; L166-F182 HydrophobicContact CD1-CD1 3.77Å; L166-F182 HydrophobicContact CD1-CE1 4.12Å; L166-F182 HydrophobicContact CD1-CG 4.48Å; I169-F182 HydrophobicContact CD1-CD2 4.23Å; I169-F182 HydrophobicContact CD1-CE2 4.37Å; I169-F182 HydrophobicContact CG1-CD2 4.1Å; I169-F182 HydrophobicContact CG1-CE2 4.21Å; I169-F182 HydrophobicContact CG2-CE2 3.81Å; I169-F182 HydrophobicContact CG2-CZ 4.47Å; L173-F182 HydrophobicContact CD1-CE2 4.42Å; L173-F182 HydrophobicContact CD1-CZ 4.18Å; L180-F182 HydrophobicContact CB-CE2 4.26Å; L180-F182 HydrophobicContact CD1-CE2 4.03Å; L180-F182 HydrophobicContact CD1-CZ 4.45Å; L180-F182 HydrophobicContact CD2-CE2 4.27Å; L180-F182 HydrophobicContact CD2-CZ 3.96Å; L180-F182 HydrophobicContact CG-CE2 4.42Å; F182-N185 PolarHBondContact O-ND2 3.42Å; F182-N185 VanDerWaalsContact O-ND2 3.09Å; F182-I187 HydrophobicContact CB-CD1 3.73Å; F182-I187 HydrophobicContact CG-CD1 4.29Å; F182-I205 PolarHBondContact N-O 3.45Å; F182-L206 HydrophobicContact CB-CD2 3.87Å; F182-L206 HydrophobicContact CD2-CD2 4.2Å; F182-N209 PolarHBondContact O-ND2 3.34Å
183	D	97.7	Very high	96.6	Very high	24 Å²	24	42.3 Å²	42.3	13%	0.128	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	152.9	178	47.8	-69.8	0	0	0	113	S162 R163 N185 I205 D207	S162-D183 CarbonylContact C-O 3.55Å; S162-D183 VanDerWaalsContact CA-O 3.24Å; S162-D183 WeakPolarHBondContact CA-O 3.45Å; S162-D183 PolarHBondContact OG-OD1 3.44Å; R163-D183 PolarHBondContact N-O 3.43Å; D183-N185 VanDerWaalsContact C-N 3.31Å; D183-N185 PolarHBondContact O-N 3.42Å; D183-N185 PolarHBondContact O-ND2 3.25Å; D183-N185 VanDerWaalsContact O-ND2 3.14Å; D183-I205 HydrophobicContact CB-CG2 4.04Å; D183-I205 PolarHBondContact N-O 2.79Å; D183-D207 CarbonylContact C-O 3.2Å; D183-D207 WeakPolarHBondContact CA-O 3.23Å; D183-D207 HydrophobicContact CB-CB 4.01Å; D183-D207 WeakPolarHBondContact CB-O 3.13Å
184	D	98.1	Very high	96.6	Very high	49 Å²	49	42 Å²	42	26%	0.262	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	42.2	177.7	-57.8	-35	0	0	0	113.2	R163 D207 G208 R234	R163-D184 WeakPolarHBondContact CA-O 3.48Å; R163-D184 HydrophobicContact CG-CB 3.55Å; R163-D184 IonicContact NH1-OD2 2.75Å; D184-D207 PolarHBondContact N-O 3.2Å; D184-G208 WeakPolarHBondContact CA-O 3.29Å; D184-R234 IonicContact OD1-CZ 2.75Å; D184-R234 IonicContact OD1-NH1 2.74Å; D184-R234 PolarHBondContact OD1-NH1 2.99Å; D184-R234 IonicContact OD1-NH2 3.24Å; D184-R234 PolarHBondContact OD1-NH2 3.08Å
185	N	98.1	Very high	96.6	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.053	21%	0.209	C	C	.	.	S	Bend	trans	-105.8	-163	173.2	-85.3	-85.2	0	0	0	110.8	L161 N164 H165 L166 F182 D183 I187 N209	L161-N185 PolarHBondContact O-ND2 2.94Å; N164-N185 VanDerWaalsContact CA-OD1 3.23Å; N164-N185 WeakPolarHBondContact CA-OD1 3.41Å; N164-N185 WeakPolarHBondContact CB-OD1 3.26Å; N164-N185 PolarHBondContact N-OD1 2.95Å; N164-N185 PolarHBondContact O-OD1 2.86Å; H165-N185 PolarHBondContact N-OD1 3.05Å; L166-N185 HydrophobicContact CB-CB 4.2Å; L166-N185 WeakPolarHBondContact CB-OD1 3.45Å; L166-N185 WeakPolarHBondContact CG-OD1 3.3Å; L166-N185 PolarHBondContact N-OD1 2.98Å; L166-N185 VanDerWaalsContact N-OD1 3.1Å; F182-N185 PolarHBondContact O-ND2 3.42Å; F182-N185 VanDerWaalsContact O-ND2 3.09Å; D183-N185 VanDerWaalsContact C-N 3.31Å; D183-N185 PolarHBondContact O-N 3.42Å; D183-N185 PolarHBondContact O-ND2 3.25Å; D183-N185 VanDerWaalsContact O-ND2 3.14Å; N185-I187 HydrophobicContact CB-CD1 4.29Å; N185-I187 HydrophobicContact CB-CG1 4Å; N185-N209 VanDerWaalsContact CA-OD1 3.32Å; N185-N209 WeakPolarHBondContact CA-OD1 3.41Å; N185-N209 WeakPolarHBondContact CB-OD1 3.49Å; N185-N209 PolarHBondContact N-OD1 3.23Å; N185-N209 PolarHBondContact O-OD1 3.41Å
186	R	97.3	Very high	96.4	Very high	162 Å²	162	41.6 Å²	41.6	61%	0.611	21%	0.208	S	C	*	.			trans	-116.5	30.7	176.2	-57.8	-175.7	-177.2	-146.1	0.7	111.3	L166 S167 S188 N209 L210	L166-R186 CarbonylContact O-C 3.56Å; L166-R186 VanDerWaalsContact O-CA 3.26Å; L166-R186 WeakPolarHBondContact O-CA 3.05Å; L166-R186 PolarHBondContact O-N 3.49Å; S167-R186 WeakPolarHBondContact CA-O 3.37Å; R186-S188 PolarHBondContact O-N 3.16Å; R186-N209 PolarHBondContact N-OD1 2.79Å; R186-L210 HydrophobicContact CB-CD1 4.1Å
187	I	98.2	Very high	96.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.			trans	-68.3	118.1	-173.7	-60.5	174.3	0	0	0	108.9	L166 S167 I169 F182 N185 S189 I190 L206 N209 L210 L211	L166-I187 HydrophobicContact CB-CD1 4.4Å; L166-I187 HydrophobicContact CB-CG1 4.07Å; L166-I187 PolarHBondContact O-N 3.09Å; L166-I187 VanDerWaalsContact O-N 3.12Å; S167-I187 WeakPolarHBondContact O-CA 3.29Å; I169-I187 HydrophobicContact CG1-CD1 4.25Å; F182-I187 HydrophobicContact CB-CD1 3.73Å; F182-I187 HydrophobicContact CG-CD1 4.29Å; N185-I187 HydrophobicContact CB-CD1 4.29Å; N185-I187 HydrophobicContact CB-CG1 4Å; I187-S189 WeakPolarHBondContact CG2-O 3.34Å; I187-I190 HydrophobicContact CG2-CG1 4.37Å; I187-L206 HydrophobicContact CD1-CD2 3.93Å; I187-N209 HydrophobicContact CB-CB 4.19Å; I187-N209 VanDerWaalsContact CB-OD1 3.29Å; I187-N209 WeakPolarHBondContact CB-OD1 3.2Å; I187-N209 WeakPolarHBondContact CG1-OD1 3.25Å; I187-N209 PolarHBondContact N-OD1 3.5Å; I187-L210 CarbonylContact O-C 3.15Å; I187-L210 WeakPolarHBondContact O-CA 3.24Å; I187-L210 PolarHBondContact O-N 2.88Å; I187-L211 HydrophobicContact CG2-CD2 3.81Å; I187-L211 HydrophobicContact CG2-CG 4.42Å; I187-L211 PolarHBondContact O-N 2.84Å
188	S	97.3	Very high	96	Very high	55 Å²	55	44.9 Å²	44.9	39%	0.385	22%	0.224	S	C	.	.			trans	-106.9	-20.1	177.5	56.4	0	0	0	0	113	S167 R186 G215	S167-S188 PolarHBondContact O-N 3.32Å; R186-S188 PolarHBondContact O-N 3.16Å; S188-G215 WeakPolarHBondContact O-CA 3.42Å
189	S	96.8	Very high	95.9	Very high	49 Å²	49	45.9 Å²	45.9	34%	0.343	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-140.7	148	-179.5	57.7	0	0	0	0	113.3	T168 I187 G215	T168-S189 PolarHBondContact OG1-O 2.84Å; I187-S189 WeakPolarHBondContact CG2-O 3.34Å; S189-G215 CarbonylContact C-O 3.27Å; S189-G215 WeakPolarHBondContact CA-O 3.46Å
190	I	96.9	Very high	95.8	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.015	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-128.1	111.7	174	-58.6	174.8	0	0	0	107	I169 I187 L195 L206 L211 G215 I216 G217 A220 F221	I169-I190 HydrophobicContact CD1-CD1 4.16Å; I169-I190 HydrophobicContact CD1-CG1 3.97Å; I169-I190 HydrophobicContact CD1-CG2 4.04Å; I169-I190 HydrophobicContact CG1-CG1 4.37Å; I187-I190 HydrophobicContact CG2-CG1 4.37Å; I190-L195 HydrophobicContact CG2-CD1 3.72Å; I190-L195 HydrophobicContact CG2-CG 4.28Å; I190-L206 HydrophobicContact CD1-CD1 3.71Å; I190-L211 HydrophobicContact CD1-CD1 3.89Å; I190-L211 HydrophobicContact CD1-CD2 3.84Å; I190-L211 HydrophobicContact CG1-CD2 3.76Å; I190-G215 PolarHBondContact N-O 2.87Å; I190-I216 HydrophobicContact CD1-CG1 4.37Å; I190-G217 PolarHBondContact O-N 2.96Å; I190-A220 HydrophobicContact CG2-CB 4.04Å; I190-F221 HydrophobicContact CD1-CE1 4.39Å; I190-F221 HydrophobicContact CD1-CZ 4.07Å
191	S	93.9	Very high	95.8	Very high	47 Å²	47	47.3 Å²	47.3	33%	0.329	24%	0.238	S	C	.	.			trans	-80.6	151.6	174.7	66.1	0	0	0	0	110.8	Q193 S194	S191-Q193 VanDerWaalsContact C-N 3.26Å; S191-Q193 PolarHBondContact O-N 3.29Å; S191-S194 PolarHBondContact O-N 3.33Å; S191-S194 VanDerWaalsContact O-N 3.15Å; S191-S194 PolarHBondContact O-OG 3.21Å; S191-S194 WeakPolarHBondContact OG-CB 3.31Å; S191-S194 PolarHBondContact OG-N 3.35Å
192	E	92.9	Very high	95.8	Very high	90 Å²	90	49.3 Å²	49.3	42%	0.421	25%	0.248	S	C	.	.	H	α-helix	trans	-60.5	-38.6	178.2	-59.4	-178.3	167.9	0	0	111.8	S194 L195 Q196 E218 M219	E192-S194 VanDerWaalsContact C-N 3.27Å; E192-S194 PolarHBondContact O-N 2.7Å; E192-L195 PolarHBondContact O-N 3.12Å; E192-Q196 WeakPolarHBondContact O-CB 3.24Å; E192-Q196 PolarHBondContact O-N 2.99Å; E192-E218 PolarHBondContact OE1-N 3.38Å; E192-M219 HydrophobicContact CG-CB 4.49Å; E192-M219 PolarHBondContact OE1-N 3.27Å; E192-M219 VanDerWaalsContact OE1-N 3.16Å
193	Q	91.5	Very high	95.8	Very high	138 Å²	138	51.4 Å²	51.4	65%	0.645	26%	0.256	S	S	*	.	H	α-helix	trans	-65.5	-26.6	178.6	-64	173.6	1.2	0	0	113.3	S191 L195	S191-Q193 VanDerWaalsContact C-N 3.26Å; S191-Q193 PolarHBondContact O-N 3.29Å; Q193-L195 VanDerWaalsContact C-N 3.28Å; Q193-L195 PolarHBondContact O-N 3.39Å
194	S	93.3	Very high	95.9	Very high	4 Å²	4	50.2 Å²	50.2	3%	0.028	25%	0.25	C	S	.	.	H	α-helix	trans	-68.9	-25.7	-176.9	67.2	0	0	0	0	113.7	S191 E192	S191-S194 PolarHBondContact O-N 3.33Å; S191-S194 VanDerWaalsContact O-N 3.15Å; S191-S194 PolarHBondContact O-OG 3.21Å; S191-S194 WeakPolarHBondContact OG-CB 3.31Å; S191-S194 PolarHBondContact OG-N 3.35Å; E192-S194 VanDerWaalsContact C-N 3.27Å; E192-S194 PolarHBondContact O-N 2.7Å
195	L	94.8	Very high	95.9	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-119.4	-1.5	-177.2	-61.6	178.7	0	0	0	113.2	I169 I190 E192 Q193 D197 L198 L204 F221 L224	I169-L195 HydrophobicContact CD1-CD1 4.24Å; I169-L195 HydrophobicContact CD1-CD2 4.02Å; I169-L195 HydrophobicContact CD1-CG 4.32Å; I169-L195 HydrophobicContact CG2-CD2 4.25Å; I190-L195 HydrophobicContact CG2-CD1 3.72Å; I190-L195 HydrophobicContact CG2-CG 4.28Å; E192-L195 PolarHBondContact O-N 3.12Å; Q193-L195 VanDerWaalsContact C-N 3.28Å; Q193-L195 PolarHBondContact O-N 3.39Å; L195-D197 VanDerWaalsContact C-N 3.34Å; L195-D197 PolarHBondContact O-N 2.82Å; L195-L198 HydrophobicContact CD2-CD1 3.67Å; L195-L198 PolarHBondContact O-N 2.9Å; L195-L204 HydrophobicContact CD1-CD2 4.12Å; L195-F221 HydrophobicContact CD1-CD1 3.94Å; L195-F221 HydrophobicContact CD1-CE1 3.84Å; L195-L224 HydrophobicContact CB-CD2 4.35Å; L195-L224 HydrophobicContact CD1-CD1 4.4Å
196	Q	90.9	Very high	95.9	Very high	96 Å²	96	47.7 Å²	47.7	45%	0.449	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-41.8	-168.8	-175.4	169.4	12.9	0	0	114.1	E192	E192-Q196 WeakPolarHBondContact O-CB 3.24Å; E192-Q196 PolarHBondContact O-N 2.99Å
197	D	91.7	Very high	96	Very high	94 Å²	94	40.3 Å²	40.3	50%	0.503	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-1.7	-173	-64	-35.1	0	0	0	113.7	M175 L195 I199	M175-D197 HydrophobicContact CE-CB 4.48Å; M175-D197 WeakPolarHBondContact CG-O 3.23Å; L195-D197 VanDerWaalsContact C-N 3.34Å; L195-D197 PolarHBondContact O-N 2.82Å; D197-I199 PolarHBondContact O-N 3.49Å
198	L	95.5	Very high	95.9	Very high	2 Å²	2	41 Å²	41	1%	0.01	22%	0.216	C	C	.	.			trans	-83.8	53	-171.2	-59.2	-176.1	0	0	0	112.9	L173 P174 L180 L195 N200 L201 L224	L173-L198 HydrophobicContact CB-CD1 4.46Å; L173-L198 HydrophobicContact CB-CD2 4.01Å; L173-L198 HydrophobicContact CD1-CD1 4.3Å; P174-L198 WeakPolarHBondContact O-CD2 3.34Å; L180-L198 HydrophobicContact CD1-CD1 3.64Å; L195-L198 HydrophobicContact CD2-CD1 3.67Å; L195-L198 PolarHBondContact O-N 2.9Å; L198-N200 PolarHBondContact O-N 2.58Å; L198-L201 HydrophobicContact CB-CB 4.09Å; L198-L201 HydrophobicContact CB-CD2 4.46Å; L198-L201 HydrophobicContact CD1-CD2 4.36Å; L198-L201 WeakPolarHBondContact O-CB 3.15Å; L198-L201 PolarHBondContact O-N 2.93Å; L198-L201 VanDerWaalsContact O-N 3.13Å; L198-L224 HydrophobicContact CB-CD2 3.84Å; L198-L224 WeakPolarHBondContact O-CD2 3.46Å
199	I	95.2	Very high	96	Very high	62 Å²	62	38.7 Å²	38.7	32%	0.318	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.8	-176.4	59.2	164.3	0	0	0	113.8	M175 D197 I225 N226	M175-I199 HydrophobicContact CE-CD1 4.45Å; M175-I199 HydrophobicContact CG-CD1 4.32Å; M175-I199 HydrophobicContact CG-CG1 3.8Å; M175-I199 HydrophobicContact SD-CD1 3.83Å; M175-I199 HydrophobicContact SD-CG1 3.97Å; D197-I199 PolarHBondContact O-N 3.49Å; I199-I225 HydrophobicContact CB-CD1 4.35Å; I199-I225 HydrophobicContact CB-CG1 4.26Å; I199-N226 WeakPolarHBondContact O-CB 3.29Å; I199-N226 PolarHBondContact O-ND2 3.12Å
200	N	96.8	Very high	96	Very high	60 Å²	60	41.1 Å²	41.1	32%	0.321	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-2.8	178.7	-63.5	-50	0	0	0	113.4	M175 I177 L198 K202	M175-N200 WeakPolarHBondContact O-CB 3.36Å; M175-N200 PolarHBondContact O-ND2 2.91Å; I177-N200 CarbonylContact O-C 3.45Å; I177-N200 VanDerWaalsContact O-C 3.26Å; L198-N200 PolarHBondContact O-N 2.58Å; N200-K202 PolarHBondContact O-N 2.99Å
201	L	98.3	Very high	96.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.			trans	-65.1	122.3	-177.7	-173.2	68.5	0	0	0	110.1	I177 L180 L198 L204 L224 N226 L227	I177-L201 HydrophobicContact CG2-CD1 3.78Å; I177-L201 WeakPolarHBondContact O-CA 3.49Å; I177-L201 PolarHBondContact O-N 2.87Å; L180-L201 HydrophobicContact CB-CD1 4.09Å; L180-L201 HydrophobicContact CD1-CD1 3.96Å; L180-L201 HydrophobicContact CD1-CD2 4.21Å; L180-L201 HydrophobicContact CG-CD1 3.72Å; L198-L201 HydrophobicContact CB-CB 4.09Å; L198-L201 HydrophobicContact CB-CD2 4.46Å; L198-L201 HydrophobicContact CD1-CD2 4.36Å; L198-L201 WeakPolarHBondContact O-CB 3.15Å; L198-L201 PolarHBondContact O-N 2.93Å; L198-L201 VanDerWaalsContact O-N 3.13Å; L201-L204 HydrophobicContact CD2-CB 4.06Å; L201-L204 HydrophobicContact CD2-CD1 4.46Å; L201-L204 HydrophobicContact CD2-CD2 4.33Å; L201-L224 HydrophobicContact CB-CD2 4.34Å; L201-L224 HydrophobicContact CD2-CD1 4.17Å; L201-L224 HydrophobicContact CD2-CD2 3.97Å; L201-N226 CarbonylContact O-C 3.24Å; L201-L227 HydrophobicContact CD2-CD1 4.21Å; L201-L227 HydrophobicContact CG-CD1 4.11Å; L201-L227 WeakPolarHBondContact O-CA 3.24Å; L201-L227 PolarHBondContact O-N 3.43Å
202	K	98.3	Very high	96.2	Very high	90 Å²	90	41.8 Å²	41.8	39%	0.391	21%	0.208	S	C	.	.			trans	-102.4	-31.5	178.8	-64.9	173.1	-172.5	162.4	0	112.1	E178 N200 N226 T228 E229	E178-K202 HydrophobicContact CB-CD 4.49Å; E178-K202 WeakPolarHBondContact O-CA 3.42Å; E178-K202 WeakPolarHBondContact O-CB 3.15Å; E178-K202 PolarHBondContact O-N 2.99Å; E178-K202 IonicContact OE2-NZ 3.21Å; E178-K202 PolarHBondContact OE2-NZ 3.29Å; N200-K202 PolarHBondContact O-N 2.99Å; K202-N226 WeakPolarHBondContact CA-O 3.41Å; K202-T228 WeakPolarHBondContact O-CA 3.49Å; K202-T228 PolarHBondContact O-N 3.25Å; K202-T228 PolarHBondContact O-OG1 2.74Å; K202-E229 PolarHBondContact O-N 3.3Å
203	R	98.7	Very high	96.4	Very high	43 Å²	43	39.5 Å²	39.5	16%	0.162	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	121.9	-173.3	-177.4	166.9	-165.5	-125.8	-1.2	111.3	E178 E179 L180 I205 E229	E178-R203 PolarHBondContact O-N 2.81Å; E178-R203 VanDerWaalsContact O-N 3.08Å; E179-R203 WeakPolarHBondContact CA-O 3.43Å; E179-R203 HydrophobicContact CB-CB 4.4Å; E179-R203 HydrophobicContact CG-CB 3.95Å; E179-R203 HydrophobicContact CG-CG 4.08Å; E179-R203 IonicContact OE1-CZ 4Å; E179-R203 IonicContact OE1-NH1 3.06Å; E179-R203 PolarHBondContact OE1-NH1 2.83Å; L180-R203 PolarHBondContact N-O 2.84Å; R203-I205 HydrophobicContact CG-CD1 3.86Å; R203-I205 HydrophobicContact CG-CG1 4.08Å; R203-E229 WeakPolarHBondContact CA-O 3.47Å; R203-E229 HydrophobicContact CG-CB 4.16Å; R203-E229 HydrophobicContact CG-CG 4.42Å; R203-E229 IonicContact CZ-OE1 3.91Å; R203-E229 VanDerWaalsContact CZ-OE1 3.28Å; R203-E229 VanDerWaalsContact NE-CD 3.31Å; R203-E229 IonicContact NE-OE1 2.99Å; R203-E229 PolarHBondContact NE-OE1 2.76Å; R203-E229 IonicContact NE-OE2 2.67Å; R203-E229 IonicContact NH2-OE1 3.33Å; R203-E229 PolarHBondContact NH2-OE1 2.75Å
204	L	98.6	Very high	96.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	113.6	178.9	-179.7	56.7	0	0	0	109.8	L180 L195 L201 L206 F221 L224 L227 E229 L230 S231	L180-L204 HydrophobicContact CB-CD1 3.8Å; L180-L204 HydrophobicContact CD1-CD1 4.34Å; L195-L204 HydrophobicContact CD1-CD2 4.12Å; L201-L204 HydrophobicContact CD2-CB 4.06Å; L201-L204 HydrophobicContact CD2-CD1 4.46Å; L201-L204 HydrophobicContact CD2-CD2 4.33Å; L204-L206 HydrophobicContact CD1-CD1 4.07Å; L204-L206 HydrophobicContact CD1-CG 4.09Å; L204-L206 HydrophobicContact CD2-CD1 3.87Å; L204-L206 HydrophobicContact CG-CD1 3.83Å; L204-L206 HydrophobicContact CG-CG 4.18Å; L204-F221 HydrophobicContact CD2-CD1 4.28Å; L204-F221 HydrophobicContact CD2-CE1 3.95Å; L204-L224 HydrophobicContact CD2-CD1 4.28Å; L204-L227 HydrophobicContact CB-CD1 3.88Å; L204-E229 PolarHBondContact N-O 3.42Å; L204-L230 HydrophobicContact CB-CD1 4.13Å; L204-L230 HydrophobicContact CD2-CD1 3.96Å; L204-L230 HydrophobicContact CG-CD1 4.08Å; L204-S231 PolarHBondContact O-N 2.95Å
205	I	98.6	Very high	96.7	Very high	6 Å²	6	45 Å²	45	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.1	-179.8	-48	-59.6	0	0	0	109.3	L180 R181 F182 D183 R203 D207 E229	L180-I205 PolarHBondContact O-N 3.21Å; R181-I205 HydrophobicContact CG-CB 4.28Å; R181-I205 HydrophobicContact CG-CG1 4.2Å; F182-I205 PolarHBondContact N-O 3.45Å; D183-I205 HydrophobicContact CB-CG2 4.04Å; D183-I205 PolarHBondContact N-O 2.79Å; R203-I205 HydrophobicContact CG-CD1 3.86Å; R203-I205 HydrophobicContact CG-CG1 4.08Å; I205-D207 HydrophobicContact CG2-CB 4.41Å; I205-E229 HydrophobicContact CD1-CG 4.48Å
206	L	98.4	Very high	96.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.222	C	C	.	.			trans	-127	25.6	-177.3	-75	162.8	0	0	0	111.2	I169 F182 I187 I190 L204 N209 L211 S231 L232 N235	I169-L206 HydrophobicContact CD1-CD1 4.49Å; I169-L206 HydrophobicContact CD1-CD2 4.09Å; F182-L206 HydrophobicContact CB-CD2 3.87Å; F182-L206 HydrophobicContact CD2-CD2 4.2Å; I187-L206 HydrophobicContact CD1-CD2 3.93Å; I190-L206 HydrophobicContact CD1-CD1 3.71Å; L204-L206 HydrophobicContact CD1-CD1 4.07Å; L204-L206 HydrophobicContact CD1-CG 4.09Å; L204-L206 HydrophobicContact CD2-CD1 3.87Å; L204-L206 HydrophobicContact CG-CD1 3.83Å; L204-L206 HydrophobicContact CG-CG 4.18Å; L206-N209 PolarHBondContact O-ND2 3.22Å; L206-L211 HydrophobicContact CB-CD1 4.18Å; L206-L211 HydrophobicContact CD1-CD1 4.42Å; L206-S231 PolarHBondContact N-O 2.75Å; L206-L232 HydrophobicContact CB-CD2 3.77Å; L206-L232 HydrophobicContact CD1-CD2 3.96Å; L206-N235 PolarHBondContact O-ND2 3.08Å
207	D	98.4	Very high	97	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.032	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	149	-177.3	-62.2	-12.2	0	0	0	111.6	D183 D184 I205 N209 S231 L232 V233 R570	D183-D207 CarbonylContact C-O 3.2Å; D183-D207 WeakPolarHBondContact CA-O 3.23Å; D183-D207 HydrophobicContact CB-CB 4.01Å; D183-D207 WeakPolarHBondContact CB-O 3.13Å; D184-D207 PolarHBondContact N-O 3.2Å; I205-D207 HydrophobicContact CG2-CB 4.41Å; D207-N209 PolarHBondContact O-N 3.12Å; D207-N209 PolarHBondContact O-ND2 3.03Å; D207-S231 VanDerWaalsContact CG-OG 3.26Å; D207-S231 WeakPolarHBondContact OD1-CB 3.38Å; D207-S231 PolarHBondContact OD1-OG 2.75Å; D207-S231 PolarHBondContact OD2-OG 3.08Å; D207-L232 PolarHBondContact OD1-N 2.74Å; D207-V233 CarbonylContact C-O 3.26Å; D207-V233 WeakPolarHBondContact CA-O 3.49Å; D207-V233 HydrophobicContact CB-CB 4.15Å; D207-V233 WeakPolarHBondContact OD1-CB 3.32Å; D207-V233 WeakPolarHBondContact OD1-CG2 3.1Å; D207-V233 PolarHBondContact OD1-N 2.8Å; D207-R570 IonicContact OD2-NH1 3.29Å
208	G	98	Very high	97	Very high	14 Å²	14	44.2 Å²	44.2	14%	0.144	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	34.8	170.3	0	0	0	0	0	114.6	D184 V233 R234	D184-G208 WeakPolarHBondContact CA-O 3.29Å; G208-V233 PolarHBondContact N-O 3.06Å; G208-R234 VanDerWaalsContact CA-NH2 3.35Å; G208-R234 VanDerWaalsContact CA-O 3.23Å; G208-R234 WeakPolarHBondContact CA-O 3.39Å; G208-R234 PolarHBondContact N-O 3.19Å
209	N	98.5	Very high	96.8	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.037	23%	0.234	C	C	.	.	S	Bend	trans	-109.6	-175.8	178.6	-82.7	-74.8	0	0	0	111.5	F182 N185 R186 I187 L206 D207 L211 R234 N235	F182-N209 PolarHBondContact O-ND2 3.34Å; N185-N209 VanDerWaalsContact CA-OD1 3.32Å; N185-N209 WeakPolarHBondContact CA-OD1 3.41Å; N185-N209 WeakPolarHBondContact CB-OD1 3.49Å; N185-N209 PolarHBondContact N-OD1 3.23Å; N185-N209 PolarHBondContact O-OD1 3.41Å; R186-N209 PolarHBondContact N-OD1 2.79Å; I187-N209 HydrophobicContact CB-CB 4.19Å; I187-N209 VanDerWaalsContact CB-OD1 3.29Å; I187-N209 WeakPolarHBondContact CB-OD1 3.2Å; I187-N209 WeakPolarHBondContact CG1-OD1 3.25Å; I187-N209 PolarHBondContact N-OD1 3.5Å; L206-N209 PolarHBondContact O-ND2 3.22Å; D207-N209 PolarHBondContact O-N 3.12Å; D207-N209 PolarHBondContact O-ND2 3.03Å; N209-L211 HydrophobicContact CB-CD1 4.4Å; N209-L211 HydrophobicContact CB-CG 4.22Å; N209-R234 PolarHBondContact N-O 3.13Å; N209-N235 VanDerWaalsContact CA-OD1 3.32Å; N209-N235 WeakPolarHBondContact CA-OD1 3.49Å; N209-N235 WeakPolarHBondContact CB-OD1 3.19Å; N209-N235 PolarHBondContact N-OD1 2.8Å; N209-N235 PolarHBondContact O-OD1 2.79Å
210	L	97.9	Very high	96.8	Very high	101 Å²	101	45 Å²	45	53%	0.529	22%	0.221	S	C	.	.			trans	-102.1	26	-179.6	-57.6	175.8	0	0	0	111.5	R186 I187	R186-L210 HydrophobicContact CB-CD1 4.1Å; I187-L210 CarbonylContact O-C 3.15Å; I187-L210 WeakPolarHBondContact O-CA 3.24Å; I187-L210 PolarHBondContact O-N 2.88Å
211	L	98.1	Very high	96.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.206	C	C	.	.			trans	-71.3	136	-175.1	-66.4	167.9	0	0	0	111.2	I187 I190 L206 N209 I216 L232 N235 S236	I187-L211 HydrophobicContact CG2-CD2 3.81Å; I187-L211 HydrophobicContact CG2-CG 4.42Å; I187-L211 PolarHBondContact O-N 2.84Å; I190-L211 HydrophobicContact CD1-CD1 3.89Å; I190-L211 HydrophobicContact CD1-CD2 3.84Å; I190-L211 HydrophobicContact CG1-CD2 3.76Å; L206-L211 HydrophobicContact CB-CD1 4.18Å; L206-L211 HydrophobicContact CD1-CD1 4.42Å; N209-L211 HydrophobicContact CB-CD1 4.4Å; N209-L211 HydrophobicContact CB-CG 4.22Å; L211-I216 HydrophobicContact CD2-CG1 4.4Å; L211-L232 HydrophobicContact CD1-CD2 3.69Å; L211-N235 HydrophobicContact CB-CB 4.27Å; L211-N235 VanDerWaalsContact CB-OD1 3.28Å; L211-N235 WeakPolarHBondContact CB-OD1 3.42Å; L211-N235 PolarHBondContact N-OD1 3.09Å; L211-S236 CarbonylContact O-C 3.42Å; L211-S236 VanDerWaalsContact O-C 3.24Å; L211-S236 VanDerWaalsContact O-CA 3.25Å; L211-S236 WeakPolarHBondContact O-CA 3.41Å; L211-S236 WeakPolarHBondContact O-CB 3.26Å; L211-S236 PolarHBondContact O-N 2.77Å
212	N	97	Very high	96.5	Very high	64 Å²	64	45.8 Å²	45.8	34%	0.342	22%	0.224	S	C	.	.			trans	-126.9	169.4	167.4	66.6	43.6	0	0	0	109.2	R214 G215	N212-R214 PolarHBondContact O-N 2.91Å; N212-R214 WeakPolarHBondContact OD1-CA 3.25Å; N212-R214 WeakPolarHBondContact OD1-CB 3.49Å; N212-R214 PolarHBondContact OD1-N 3.49Å; N212-G215 PolarHBondContact O-N 3.38Å; N212-G215 VanDerWaalsContact O-N 3.11Å; N212-G215 PolarHBondContact OD1-N 3.41Å
213	N	95.9	Very high	96.3	Very high	41 Å²	41	44.9 Å²	44.9	22%	0.219	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.9	-177.9	-66.4	96.1	0	0	0	114.4	T238 S239	N213-T238 WeakPolarHBondContact OD1-CA 3.37Å; N213-T238 PolarHBondContact OD1-N 3.45Å; N213-T238 PolarHBondContact OD1-OG1 3.42Å; N213-S239 PolarHBondContact ND2-O 3.31Å; N213-S239 PolarHBondContact ND2-OG 3.43Å; N213-S239 VanDerWaalsContact ND2-OG 3.14Å; N213-S239 PolarHBondContact OD1-N 2.86Å
214	R	95.4	Very high	96.2	Very high	243 Å²	243	42.9 Å²	42.9	92%	0.917	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-26.6	178.3	-62.7	-179.4	179.5	176.8	-1.5	112.3	N212 I216	N212-R214 PolarHBondContact O-N 2.91Å; N212-R214 WeakPolarHBondContact OD1-CA 3.25Å; N212-R214 WeakPolarHBondContact OD1-CB 3.49Å; N212-R214 PolarHBondContact OD1-N 3.49Å; R214-I216 VanDerWaalsContact C-N 3.31Å
215	G	95.4	Very high	96	Very high	14 Å²	14	46.6 Å²	46.6	14%	0.144	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-19.4	178.1	0	0	0	0	0	113.2	S188 S189 I190 N212	S188-G215 WeakPolarHBondContact O-CA 3.42Å; S189-G215 CarbonylContact C-O 3.27Å; S189-G215 WeakPolarHBondContact CA-O 3.46Å; I190-G215 PolarHBondContact N-O 2.87Å; N212-G215 PolarHBondContact O-N 3.38Å; N212-G215 VanDerWaalsContact O-N 3.11Å; N212-G215 PolarHBondContact OD1-N 3.41Å
216	I	97	Very high	96	Very high	20 Å²	20	49.2 Å²	49.2	10%	0.103	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-93.4	122.2	179.4	-58.8	176.2	0	0	0	108.7	I190 L211 R214 A220 F221 L237 P241	I190-I216 HydrophobicContact CD1-CG1 4.37Å; L211-I216 HydrophobicContact CD2-CG1 4.4Å; R214-I216 VanDerWaalsContact C-N 3.31Å; I216-A220 HydrophobicContact CG2-CB 4.11Å; I216-F221 HydrophobicContact CD1-CE2 4.42Å; I216-F221 HydrophobicContact CG2-CD2 4.35Å; I216-F221 HydrophobicContact CG2-CE2 3.56Å; I216-F221 HydrophobicContact CG2-CZ 4.03Å; I216-L237 HydrophobicContact CD1-CD2 3.77Å; I216-P241 HydrophobicContact CD1-CG 4.38Å
217	G	95.1	Very high	96	Very high	22 Å²	22	49.2 Å²	49.2	23%	0.227	25%	0.249	C	C	.	.			trans	-58.3	144.1	171.9	0	0	0	0	0	112.2	I190 M219 A220	I190-G217 PolarHBondContact O-N 2.96Å; G217-M219 PolarHBondContact O-N 3.47Å; G217-A220 VanDerWaalsContact O-CB 3.25Å; G217-A220 WeakPolarHBondContact O-CB 3.09Å; G217-A220 PolarHBondContact O-N 3.1Å; G217-A220 VanDerWaalsContact O-N 3.07Å
218	E	91.1	Very high	95.9	Very high	134 Å²	134	50.8 Å²	50.8	63%	0.626	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-33.1	-172.8	-174.4	173.2	176.8	0	0	112.5	E192 N243	E192-E218 PolarHBondContact OE1-N 3.38Å; E218-N243 PolarHBondContact O-ND2 3.42Å
219	M	92.8	Very high	96	Very high	76 Å²	76	51 Å²	51	37%	0.374	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	18.3	178.8	-60.9	-60.8	174.9	0	0	113.1	E192 G217 F221 I222 N243	E192-M219 HydrophobicContact CG-CB 4.49Å; E192-M219 PolarHBondContact OE1-N 3.27Å; E192-M219 VanDerWaalsContact OE1-N 3.16Å; G217-M219 PolarHBondContact O-N 3.47Å; M219-F221 VanDerWaalsContact C-N 3.25Å; M219-F221 PolarHBondContact O-N 3.14Å; M219-F221 VanDerWaalsContact O-N 3.15Å; M219-I222 HydrophobicContact CB-CG2 4.01Å; M219-I222 WeakPolarHBondContact O-CG2 3.39Å; M219-I222 PolarHBondContact O-N 3.32Å; M219-I222 HydrophobicContact SD-CD1 3.78Å; M219-I222 HydrophobicContact SD-CG2 4.46Å; M219-N243 HydrophobicContact SD-CB 4.18Å; M219-N243 PolarHBondContact SD-ND2 3.46Å
220	A	95.2	Very high	96	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.033	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.9	-171.7	0	0	0	0	0	114.3	I190 I216 G217	I190-A220 HydrophobicContact CG2-CB 4.04Å; I216-A220 HydrophobicContact CG2-CB 4.11Å; G217-A220 VanDerWaalsContact O-CB 3.25Å; G217-A220 WeakPolarHBondContact O-CB 3.09Å; G217-A220 PolarHBondContact O-N 3.1Å; G217-A220 VanDerWaalsContact O-N 3.07Å
221	F	95.9	Very high	96	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.013	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-7.3	-175.4	-54.6	-60.3	0	0	0	114.5	I190 L195 L204 I216 M219 N223 L224 P241 L244	I190-F221 HydrophobicContact CD1-CE1 4.39Å; I190-F221 HydrophobicContact CD1-CZ 4.07Å; L195-F221 HydrophobicContact CD1-CD1 3.94Å; L195-F221 HydrophobicContact CD1-CE1 3.84Å; L204-F221 HydrophobicContact CD2-CD1 4.28Å; L204-F221 HydrophobicContact CD2-CE1 3.95Å; I216-F221 HydrophobicContact CD1-CE2 4.42Å; I216-F221 HydrophobicContact CG2-CD2 4.35Å; I216-F221 HydrophobicContact CG2-CE2 3.56Å; I216-F221 HydrophobicContact CG2-CZ 4.03Å; M219-F221 VanDerWaalsContact C-N 3.25Å; M219-F221 PolarHBondContact O-N 3.14Å; M219-F221 VanDerWaalsContact O-N 3.15Å; F221-N223 VanDerWaalsContact C-N 3.29Å; F221-N223 PolarHBondContact O-N 3.09Å; F221-L224 HydrophobicContact CB-CD1 4.25Å; F221-L224 HydrophobicContact CD1-CD1 3.88Å; F221-L224 WeakPolarHBondContact O-CB 3.49Å; F221-L224 PolarHBondContact O-N 2.88Å; F221-L224 VanDerWaalsContact O-N 3.15Å; F221-P241 HydrophobicContact CD2-CB 4.24Å; F221-P241 HydrophobicContact CE2-CB 3.94Å; F221-P241 HydrophobicContact CE2-CG 4.31Å; F221-L244 HydrophobicContact CB-CD2 4.48Å; F221-L244 HydrophobicContact CD2-CD2 4Å; F221-L244 HydrophobicContact CG-CD2 4.46Å
222	I	93.4	Very high	96	Very high	74 Å²	74	46.1 Å²	46.1	38%	0.379	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-34.5	-166.2	-163.7	170.7	0	0	0	113.1	M219 L224	M219-I222 HydrophobicContact CB-CG2 4.01Å; M219-I222 WeakPolarHBondContact O-CG2 3.39Å; M219-I222 PolarHBondContact O-N 3.32Å; M219-I222 HydrophobicContact SD-CD1 3.78Å; M219-I222 HydrophobicContact SD-CG2 4.46Å; I222-L224 VanDerWaalsContact C-N 3.31Å; I222-L224 PolarHBondContact O-N 3.33Å
223	N	93.3	Very high	96.1	Very high	71 Å²	71	43.9 Å²	43.9	38%	0.38	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-2.9	-176.7	-68.3	-22.2	0	0	0	113.7	F221 I225	F221-N223 VanDerWaalsContact C-N 3.29Å; F221-N223 PolarHBondContact O-N 3.09Å; N223-I225 PolarHBondContact O-N 3.39Å
224	L	96.3	Very high	96.2	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	23%	0.23	C	C	.	.			trans	-80.6	62.1	-178.8	-53.7	177.1	0	0	0	110.5	L195 L198 L201 L204 F221 I222 N226 L227 P245	L195-L224 HydrophobicContact CB-CD2 4.35Å; L195-L224 HydrophobicContact CD1-CD1 4.4Å; L198-L224 HydrophobicContact CB-CD2 3.84Å; L198-L224 WeakPolarHBondContact O-CD2 3.46Å; L201-L224 HydrophobicContact CB-CD2 4.34Å; L201-L224 HydrophobicContact CD2-CD1 4.17Å; L201-L224 HydrophobicContact CD2-CD2 3.97Å; L204-L224 HydrophobicContact CD2-CD1 4.28Å; F221-L224 HydrophobicContact CB-CD1 4.25Å; F221-L224 HydrophobicContact CD1-CD1 3.88Å; F221-L224 WeakPolarHBondContact O-CB 3.49Å; F221-L224 PolarHBondContact O-N 2.88Å; F221-L224 VanDerWaalsContact O-N 3.15Å; I222-L224 VanDerWaalsContact C-N 3.31Å; I222-L224 PolarHBondContact O-N 3.33Å; L224-N226 PolarHBondContact O-N 2.92Å; L224-L227 HydrophobicContact CB-CB 3.86Å; L224-L227 HydrophobicContact CB-CD2 4.19Å; L224-L227 HydrophobicContact CD1-CD2 3.99Å; L224-L227 WeakPolarHBondContact O-CB 3.17Å; L224-L227 PolarHBondContact O-N 3.1Å; L224-P245 HydrophobicContact CB-CG 4.33Å; L224-P245 WeakPolarHBondContact O-CB 3.38Å
225	I	94.9	Very high	96.4	Very high	77 Å²	77	36.2 Å²	36.2	40%	0.395	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.4	-169.3	58.1	171	0	0	0	114.1	I199 N223 T247 S248	I199-I225 HydrophobicContact CB-CD1 4.35Å; I199-I225 HydrophobicContact CB-CG1 4.26Å; N223-I225 PolarHBondContact O-N 3.39Å; I225-T247 WeakPolarHBondContact CA-OG1 3.28Å; I225-T247 PolarHBondContact O-OG1 3.48Å; I225-S248 WeakPolarHBondContact O-CB 3.43Å; I225-S248 PolarHBondContact O-OG 3.44Å
226	N	97.3	Very high	96.5	Very high	61 Å²	61	37.9 Å²	37.9	33%	0.326	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	7.2	179.2	-68.9	-25.6	0	0	0	112.8	I199 L201 K202 L224 T228	I199-N226 WeakPolarHBondContact O-CB 3.29Å; I199-N226 PolarHBondContact O-ND2 3.12Å; L201-N226 CarbonylContact O-C 3.24Å; K202-N226 WeakPolarHBondContact CA-O 3.41Å; L224-N226 PolarHBondContact O-N 2.92Å; N226-T228 PolarHBondContact O-N 2.91Å
227	L	98.2	Very high	96.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.			trans	-67.9	120.1	-177.7	-168.5	70.7	0	0	0	110	L201 L204 L224 L230 P245 S248 L249	L201-L227 HydrophobicContact CD2-CD1 4.21Å; L201-L227 HydrophobicContact CG-CD1 4.11Å; L201-L227 WeakPolarHBondContact O-CA 3.24Å; L201-L227 PolarHBondContact O-N 3.43Å; L204-L227 HydrophobicContact CB-CD1 3.88Å; L224-L227 HydrophobicContact CB-CB 3.86Å; L224-L227 HydrophobicContact CB-CD2 4.19Å; L224-L227 HydrophobicContact CD1-CD2 3.99Å; L224-L227 WeakPolarHBondContact O-CB 3.17Å; L224-L227 PolarHBondContact O-N 3.1Å; L227-L230 HydrophobicContact CD2-CB 4.09Å; L227-P245 HydrophobicContact CB-CG 4.18Å; L227-P245 HydrophobicContact CD2-CG 4Å; L227-S248 CarbonylContact O-C 3.53Å; L227-L249 HydrophobicContact CD2-CD1 4.16Å; L227-L249 HydrophobicContact CG-CD1 4.13Å; L227-L249 WeakPolarHBondContact O-CA 3.47Å; L227-L249 PolarHBondContact O-N 2.57Å; L227-L249 VanDerWaalsContact O-N 3.1Å
228	T	98.3	Very high	96.7	Very high	40 Å²	40	38.5 Å²	38.5	25%	0.245	20%	0.198	C	C	.	.			trans	-102.8	-33.6	179.7	63.7	0	0	0	0	112.2	K202 N226 S248 E250 K251	K202-T228 WeakPolarHBondContact O-CA 3.49Å; K202-T228 PolarHBondContact O-N 3.25Å; K202-T228 PolarHBondContact O-OG1 2.74Å; N226-T228 PolarHBondContact O-N 2.91Å; T228-S248 WeakPolarHBondContact CA-O 3.13Å; T228-E250 WeakPolarHBondContact O-CA 3.31Å; T228-E250 WeakPolarHBondContact O-CB 3.33Å; T228-E250 PolarHBondContact O-N 2.97Å; T228-K251 PolarHBondContact O-N 2.96Å
229	E	98.6	Very high	97	Very high	18 Å²	18	32.8 Å²	32.8	8%	0.084	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	119.2	-177	-176.9	172.5	136.7	0	0	110.3	K202 R203 L204 I205 K251	K202-E229 PolarHBondContact O-N 3.3Å; R203-E229 WeakPolarHBondContact CA-O 3.47Å; R203-E229 HydrophobicContact CG-CB 4.16Å; R203-E229 HydrophobicContact CG-CG 4.42Å; R203-E229 IonicContact CZ-OE1 3.91Å; R203-E229 VanDerWaalsContact CZ-OE1 3.28Å; R203-E229 VanDerWaalsContact NE-CD 3.31Å; R203-E229 IonicContact NE-OE1 2.99Å; R203-E229 PolarHBondContact NE-OE1 2.76Å; R203-E229 IonicContact NE-OE2 2.67Å; R203-E229 IonicContact NH2-OE1 3.33Å; R203-E229 PolarHBondContact NH2-OE1 2.75Å; L204-E229 PolarHBondContact N-O 3.42Å; I205-E229 HydrophobicContact CD1-CG 4.48Å; E229-K251 WeakPolarHBondContact CA-O 3.24Å; E229-K251 HydrophobicContact CB-CB 4.34Å; E229-K251 HydrophobicContact CG-CB 4.11Å; E229-K251 HydrophobicContact CG-CD 4.49Å; E229-K251 WeakPolarHBondContact OE2-CE 3.36Å; E229-K251 IonicContact OE2-NZ 2.81Å; E229-K251 PolarHBondContact OE2-NZ 3.23Å
230	L	98.6	Very high	97.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123	171.1	178.8	59.4	0	0	0	109.5	L204 L227 L232 L244 L249 K251 L252 H253	L204-L230 HydrophobicContact CB-CD1 4.13Å; L204-L230 HydrophobicContact CD2-CD1 3.96Å; L204-L230 HydrophobicContact CG-CD1 4.08Å; L227-L230 HydrophobicContact CD2-CB 4.09Å; L230-L232 HydrophobicContact CD1-CD1 4.33Å; L230-L232 HydrophobicContact CD1-CG 4.25Å; L230-L232 HydrophobicContact CD2-CD1 4.03Å; L230-L232 HydrophobicContact CG-CD1 4.13Å; L230-L232 HydrophobicContact CG-CG 4.34Å; L230-L244 HydrophobicContact CD2-CD2 3.51Å; L230-L249 HydrophobicContact CB-CD1 4.06Å; L230-K251 PolarHBondContact N-O 2.91Å; L230-L252 HydrophobicContact CB-CD1 4.11Å; L230-L252 HydrophobicContact CD2-CD1 4Å; L230-L252 HydrophobicContact CG-CD1 4.16Å; L230-H253 PolarHBondContact O-N 3.34Å
231	S	98.7	Very high	97.3	Very high	5 Å²	5	29.4 Å²	29.4	4%	0.035	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120	179	-159.1	0	0	0	0	111.5	L204 L206 D207	L204-S231 PolarHBondContact O-N 2.95Å; L206-S231 PolarHBondContact N-O 2.75Å; D207-S231 VanDerWaalsContact CG-OG 3.26Å; D207-S231 WeakPolarHBondContact OD1-CB 3.38Å; D207-S231 PolarHBondContact OD1-OG 2.75Å; D207-S231 PolarHBondContact OD2-OG 3.08Å
232	L	98.5	Very high	97	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.			trans	-128.7	32.1	-178.8	-71.6	163.1	0	0	0	110.4	L206 D207 L211 L230 N235 L237 P241 H253 L254 N257	L206-L232 HydrophobicContact CB-CD2 3.77Å; L206-L232 HydrophobicContact CD1-CD2 3.96Å; D207-L232 PolarHBondContact OD1-N 2.74Å; L211-L232 HydrophobicContact CD1-CD2 3.69Å; L230-L232 HydrophobicContact CD1-CD1 4.33Å; L230-L232 HydrophobicContact CD1-CG 4.25Å; L230-L232 HydrophobicContact CD2-CD1 4.03Å; L230-L232 HydrophobicContact CG-CD1 4.13Å; L230-L232 HydrophobicContact CG-CG 4.34Å; L232-N235 VanDerWaalsContact C-ND2 3.33Å; L232-N235 PolarHBondContact O-ND2 3.22Å; L232-N235 VanDerWaalsContact O-ND2 3.07Å; L232-L237 HydrophobicContact CB-CD1 4.08Å; L232-L237 HydrophobicContact CD1-CD1 4.16Å; L232-P241 HydrophobicContact CD1-CG 3.63Å; L232-H253 PolarHBondContact N-O 3.23Å; L232-L254 HydrophobicContact CB-CD2 4.05Å; L232-L254 HydrophobicContact CD1-CD2 4.1Å; L232-N257 PolarHBondContact O-ND2 3.27Å
233	V	98.6	Very high	97.1	Very high	18 Å²	18	31.6 Å²	31.6	11%	0.109	18%	0.177	C	C	.	.			trans	-64.9	148.6	-175.8	-177.3	0	0	0	0	110.7	D207 G208 N235 H253 Q255	D207-V233 CarbonylContact C-O 3.26Å; D207-V233 WeakPolarHBondContact CA-O 3.49Å; D207-V233 HydrophobicContact CB-CB 4.15Å; D207-V233 WeakPolarHBondContact OD1-CB 3.32Å; D207-V233 WeakPolarHBondContact OD1-CG2 3.1Å; D207-V233 PolarHBondContact OD1-N 2.8Å; G208-V233 PolarHBondContact N-O 3.06Å; V233-N235 PolarHBondContact O-N 2.64Å; V233-N235 PolarHBondContact O-ND2 2.73Å; V233-H253 HydrophobicContact CG2-CB 3.8Å; V233-Q255 WeakPolarHBondContact CA-O 3.15Å; V233-Q255 HydrophobicContact CG1-CB 4.05Å
234	R	98.2	Very high	97.2	Very high	117 Å²	117	29.1 Å²	29.1	44%	0.442	16%	0.163	S	C	.	.	S	Bend	trans	54.7	50.8	175.8	-70.5	160.6	42.7	-126.1	-8.1	112.6	D184 G208 N209 Q255 D256	D184-R234 IonicContact OD1-CZ 2.75Å; D184-R234 IonicContact OD1-NH1 2.74Å; D184-R234 PolarHBondContact OD1-NH1 2.99Å; D184-R234 IonicContact OD1-NH2 3.24Å; D184-R234 PolarHBondContact OD1-NH2 3.08Å; G208-R234 VanDerWaalsContact CA-NH2 3.35Å; G208-R234 VanDerWaalsContact CA-O 3.23Å; G208-R234 WeakPolarHBondContact CA-O 3.39Å; G208-R234 PolarHBondContact N-O 3.19Å; N209-R234 PolarHBondContact N-O 3.13Å; R234-Q255 PolarHBondContact N-O 3.1Å; R234-D256 VanDerWaalsContact CA-O 3.24Å; R234-D256 WeakPolarHBondContact CA-O 3.32Å; R234-D256 HydrophobicContact CG-CB 3.85Å; R234-D256 PolarHBondContact N-O 2.76Å
235	N	98.5	Very high	97.1	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.027	17%	0.165	C	C	.	.	S	Bend	trans	-117.7	-172.5	171.5	-82.5	-81.1	0	0	0	109.6	L206 N209 L211 L232 V233 L237 N257	L206-N235 PolarHBondContact O-ND2 3.08Å; N209-N235 VanDerWaalsContact CA-OD1 3.32Å; N209-N235 WeakPolarHBondContact CA-OD1 3.49Å; N209-N235 WeakPolarHBondContact CB-OD1 3.19Å; N209-N235 PolarHBondContact N-OD1 2.8Å; N209-N235 PolarHBondContact O-OD1 2.79Å; L211-N235 HydrophobicContact CB-CB 4.27Å; L211-N235 VanDerWaalsContact CB-OD1 3.28Å; L211-N235 WeakPolarHBondContact CB-OD1 3.42Å; L211-N235 PolarHBondContact N-OD1 3.09Å; L232-N235 VanDerWaalsContact C-ND2 3.33Å; L232-N235 PolarHBondContact O-ND2 3.22Å; L232-N235 VanDerWaalsContact O-ND2 3.07Å; V233-N235 PolarHBondContact O-N 2.64Å; V233-N235 PolarHBondContact O-ND2 2.73Å; N235-L237 HydrophobicContact CB-CG 4.29Å; N235-N257 WeakPolarHBondContact CA-OD1 3.41Å; N235-N257 WeakPolarHBondContact CB-OD1 3.11Å; N235-N257 PolarHBondContact N-OD1 2.98Å; N235-N257 PolarHBondContact O-OD1 2.96Å; N235-N257 VanDerWaalsContact O-OD1 3.11Å
236	S	97.9	Very high	96.9	Very high	50 Å²	50	26.7 Å²	26.7	35%	0.35	16%	0.157	S	C	.	.			trans	-109	37.1	179	-60.9	0	0	0	0	112.3	L211	L211-S236 CarbonylContact O-C 3.42Å; L211-S236 VanDerWaalsContact O-C 3.24Å; L211-S236 VanDerWaalsContact O-CA 3.25Å; L211-S236 WeakPolarHBondContact O-CA 3.41Å; L211-S236 WeakPolarHBondContact O-CB 3.26Å; L211-S236 PolarHBondContact O-N 2.77Å
237	L	98.3	Very high	96.7	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.167	C	C	.	.			trans	-73.5	137.9	179.1	-58.1	176.3	0	0	0	111.1	I216 L232 N235 P241 L254 N257 H258 I259	I216-L237 HydrophobicContact CD1-CD2 3.77Å; L232-L237 HydrophobicContact CB-CD1 4.08Å; L232-L237 HydrophobicContact CD1-CD1 4.16Å; N235-L237 HydrophobicContact CB-CG 4.29Å; L237-P241 HydrophobicContact CD1-CG 4.42Å; L237-L254 HydrophobicContact CD1-CD2 4Å; L237-N257 HydrophobicContact CB-CB 4.24Å; L237-N257 VanDerWaalsContact CB-OD1 3.27Å; L237-N257 WeakPolarHBondContact CB-OD1 3.32Å; L237-N257 VanDerWaalsContact CG-OD1 3.3Å; L237-N257 WeakPolarHBondContact CG-OD1 3.28Å; L237-N257 PolarHBondContact N-OD1 3.41Å; L237-H258 CarbonylContact O-C 3.5Å; L237-H258 WeakPolarHBondContact O-CA 3.47Å; L237-H258 PolarHBondContact O-N 3.23Å; L237-I259 HydrophobicContact CB-CG1 4.21Å; L237-I259 PolarHBondContact O-N 2.98Å
238	T	97.8	Very high	96.6	Very high	54 Å²	54	29.6 Å²	29.6	33%	0.331	18%	0.178	S	C	.	.	S	Bend	trans	-104	-18.9	176.9	61.4	0	0	0	0	113.5	N213 H258 I259 N260	N213-T238 WeakPolarHBondContact OD1-CA 3.37Å; N213-T238 PolarHBondContact OD1-N 3.45Å; N213-T238 PolarHBondContact OD1-OG1 3.42Å; T238-H258 WeakPolarHBondContact CA-O 3.15Å; T238-I259 WeakPolarHBondContact O-CA 3.36Å; T238-N260 PolarHBondContact O-N 2.86Å; T238-N260 PolarHBondContact O-OD1 3.35Å
239	S	97.6	Very high	96.6	Very high	15 Å²	15	27.7 Å²	27.7	11%	0.105	17%	0.167	C	C	.	.	S	Bend	trans	-142.8	160.4	168.9	55.6	0	0	0	0	109.6	N213	N213-S239 PolarHBondContact ND2-O 3.31Å; N213-S239 PolarHBondContact ND2-OG 3.43Å; N213-S239 VanDerWaalsContact ND2-OG 3.14Å; N213-S239 PolarHBondContact OD1-N 2.86Å
240	P	97.4	Very high	96.5	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.026	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-56	148.7	167.6	-23.5	35.2	0	0	0	111.1	L254 R261 V262 A266 F267	P240-L254 HydrophobicContact CB-CD1 4.07Å; P240-L254 HydrophobicContact CG-CD1 4.36Å; P240-R261 WeakPolarHBondContact CD-O 3.35Å; P240-V262 HydrophobicContact CG-CG1 4.23Å; P240-V262 HydrophobicContact CG-CG2 4.26Å; P240-A266 HydrophobicContact CB-CB 4.29Å; P240-A266 HydrophobicContact CG-CB 4.41Å; P240-F267 HydrophobicContact CB-CE1 3.97Å; P240-F267 HydrophobicContact CB-CZ 4.15Å; P240-F267 HydrophobicContact CG-CE1 4.09Å; P240-F267 HydrophobicContact CG-CZ 3.73Å
241	P	95.9	Very high	96.5	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.026	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-59.8	145	174.3	-20.1	31.5	0	0	0	111.7	I216 F221 L232 L237 L244	I216-P241 HydrophobicContact CD1-CG 4.38Å; F221-P241 HydrophobicContact CD2-CB 4.24Å; F221-P241 HydrophobicContact CE2-CB 3.94Å; F221-P241 HydrophobicContact CE2-CG 4.31Å; L232-P241 HydrophobicContact CD1-CG 3.63Å; L237-P241 HydrophobicContact CD1-CG 4.42Å; P241-L244 HydrophobicContact CB-CD2 4.1Å
242	A	91.5	Very high	96.5	Very high	57 Å²	57	32.9 Å²	32.9	47%	0.471	19%	0.189	S	C	.	.	S	Bend	trans	-77.5	161.6	174.1	0	0	0	0	0	111.1	L244	A242-L244 VanDerWaalsContact C-N 3.31Å; A242-L244 PolarHBondContact O-N 3Å
243	N	93.7	Very high	96.6	Very high	66 Å²	66	34.1 Å²	34.1	35%	0.353	20%	0.195	S	C	.	.	S	Bend	trans	54.6	40.6	168.9	-52.4	-41.8	0	0	0	114.6	E218 M219	E218-N243 PolarHBondContact O-ND2 3.42Å; M219-N243 HydrophobicContact SD-CB 4.18Å; M219-N243 PolarHBondContact SD-ND2 3.46Å
244	L	95.7	Very high	96.6	Very high	19 Å²	19	33.2 Å²	33.2	10%	0.099	19%	0.19	C	C	.	.			trans	-65	142.7	173.6	-67.8	176.5	0	0	0	111	F221 L230 P241 A242 G246 L249 L252 L270	F221-L244 HydrophobicContact CB-CD2 4.48Å; F221-L244 HydrophobicContact CD2-CD2 4Å; F221-L244 HydrophobicContact CG-CD2 4.46Å; L230-L244 HydrophobicContact CD2-CD2 3.51Å; P241-L244 HydrophobicContact CB-CD2 4.1Å; A242-L244 VanDerWaalsContact C-N 3.31Å; A242-L244 PolarHBondContact O-N 3Å; L244-G246 PolarHBondContact O-N 2.93Å; L244-L249 HydrophobicContact CB-CD2 4.48Å; L244-L252 HydrophobicContact CD1-CD1 4.25Å; L244-L252 HydrophobicContact CD1-CD2 3.63Å; L244-L270 HydrophobicContact CB-CD2 4.12Å; L244-L270 HydrophobicContact CD1-CD1 4.4Å
245	P	94.3	Very high	96.5	Very high	7 Å²	7	28.7 Å²	28.7	5%	0.045	17%	0.173	C	C	.	.			trans	-72.6	113.9	-178.2	29.4	-34.7	0	0	0	110.7	L224 L227 L249	L224-P245 HydrophobicContact CB-CG 4.33Å; L224-P245 WeakPolarHBondContact O-CB 3.38Å; L227-P245 HydrophobicContact CB-CG 4.18Å; L227-P245 HydrophobicContact CD2-CG 4Å; P245-L249 WeakPolarHBondContact O-CB 3.38Å
246	G	90.5	Very high	96.5	Very high	21 Å²	21	32.6 Å²	32.6	22%	0.216	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.8	-179.6	0	0	0	0	0	115.8	L244	L244-G246 PolarHBondContact O-N 2.93Å
247	T	93.3	Very high	96.6	Very high	87 Å²	87	30.4 Å²	30.4	53%	0.534	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-45.6	-172.5	43.6	0	0	0	0	113.5	I225 Q272	I225-T247 WeakPolarHBondContact CA-OG1 3.28Å; I225-T247 PolarHBondContact O-OG1 3.48Å; T247-Q272 WeakPolarHBondContact O-CG 3.13Å
248	S	96.2	Very high	96.6	Very high	35 Å²	35	36 Å²	36	25%	0.245	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	-0.2	-173.3	-53.2	0	0	0	0	113.8	I225 L227 T228 E250	I225-S248 WeakPolarHBondContact O-CB 3.43Å; I225-S248 PolarHBondContact O-OG 3.44Å; L227-S248 CarbonylContact O-C 3.53Å; T228-S248 WeakPolarHBondContact CA-O 3.13Å; S248-E250 PolarHBondContact O-N 2.97Å
249	L	98.1	Very high	96.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.189	C	C	.	.			trans	-71.5	116.5	-171.5	-170.1	70.8	0	0	0	111.1	L227 L230 L244 P245 L270 Q272 L273	L227-L249 HydrophobicContact CD2-CD1 4.16Å; L227-L249 HydrophobicContact CG-CD1 4.13Å; L227-L249 WeakPolarHBondContact O-CA 3.47Å; L227-L249 PolarHBondContact O-N 2.57Å; L227-L249 VanDerWaalsContact O-N 3.1Å; L230-L249 HydrophobicContact CB-CD1 4.06Å; L244-L249 HydrophobicContact CB-CD2 4.48Å; P245-L249 WeakPolarHBondContact O-CB 3.38Å; L249-L270 HydrophobicContact CD2-CD2 4.17Å; L249-Q272 CarbonylContact O-C 3.54Å; L249-Q272 VanDerWaalsContact O-C 3.27Å; L249-L273 HydrophobicContact CD2-CD1 4.21Å; L249-L273 HydrophobicContact CG-CD1 4.01Å; L249-L273 VanDerWaalsContact O-CA 3.25Å; L249-L273 WeakPolarHBondContact O-CA 3.47Å; L249-L273 PolarHBondContact O-N 3.27Å; L249-L273 VanDerWaalsContact O-N 3.12Å
250	E	98.3	Very high	96.6	Very high	81 Å²	81	36.1 Å²	36.1	38%	0.379	20%	0.202	S	C	.	.			trans	-104.8	-36.4	-174.5	-79.4	-177.2	-165.1	0	0	112.1	T228 S248 Y274 R275	T228-E250 WeakPolarHBondContact O-CA 3.31Å; T228-E250 WeakPolarHBondContact O-CB 3.33Å; T228-E250 PolarHBondContact O-N 2.97Å; S248-E250 PolarHBondContact O-N 2.97Å; E250-Y274 HydrophobicContact CB-CD1 3.67Å; E250-Y274 HydrophobicContact CB-CE1 3.79Å; E250-Y274 HydrophobicContact CG-CD1 4.19Å; E250-Y274 HydrophobicContact CG-CE1 4.47Å; E250-Y274 VanDerWaalsContact O-CD1 3.3Å; E250-Y274 WeakPolarHBondContact O-CD1 3.42Å; E250-Y274 PolarHBondContact O-N 3.11Å; E250-R275 PolarHBondContact O-N 3.2Å; E250-R275 VanDerWaalsContact O-N 3.08Å
251	K	98.6	Very high	96.5	Very high	51 Å²	51	43.2 Å²	43.2	22%	0.222	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126.7	-175.5	-56.7	-176.5	-130.6	161.2	0	111.6	T228 E229 L230 Y274 R275	T228-K251 PolarHBondContact O-N 2.96Å; E229-K251 WeakPolarHBondContact CA-O 3.24Å; E229-K251 HydrophobicContact CB-CB 4.34Å; E229-K251 HydrophobicContact CG-CB 4.11Å; E229-K251 HydrophobicContact CG-CD 4.49Å; E229-K251 WeakPolarHBondContact OE2-CE 3.36Å; E229-K251 IonicContact OE2-NZ 2.81Å; E229-K251 PolarHBondContact OE2-NZ 3.23Å; L230-K251 PolarHBondContact N-O 2.91Å; K251-Y274 HydrophobicContact CD-CE1 4.15Å; K251-Y274 WeakPolarHBondContact CD-OH 3.25Å; K251-Y274 WeakPolarHBondContact CE-OH 3.43Å; K251-Y274 HydrophobicContact CG-CD1 4.37Å; K251-Y274 HydrophobicContact CG-CE1 3.56Å; K251-R275 WeakPolarHBondContact CA-O 3.47Å; K251-R275 HydrophobicContact CG-CB 4.25Å
252	L	98.6	Very high	96.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	118.4	175.9	-178.5	58	0	0	0	110.3	L230 L244 L254 F267 L270 L273 R275 L276 D277	L230-L252 HydrophobicContact CB-CD1 4.11Å; L230-L252 HydrophobicContact CD2-CD1 4Å; L230-L252 HydrophobicContact CG-CD1 4.16Å; L244-L252 HydrophobicContact CD1-CD1 4.25Å; L244-L252 HydrophobicContact CD1-CD2 3.63Å; L252-L254 HydrophobicContact CD1-CD1 4.34Å; L252-L254 HydrophobicContact CD1-CD2 4.44Å; L252-L254 HydrophobicContact CD1-CG 4.15Å; L252-L254 HydrophobicContact CD2-CD1 3.98Å; L252-L254 HydrophobicContact CG-CD1 3.99Å; L252-L254 HydrophobicContact CG-CG 4.09Å; L252-F267 HydrophobicContact CD2-CD1 4.22Å; L252-F267 HydrophobicContact CD2-CE1 3.9Å; L252-L270 HydrophobicContact CD2-CD1 4.48Å; L252-L273 HydrophobicContact CB-CD1 3.79Å; L252-L273 HydrophobicContact CB-CD2 4.42Å; L252-R275 PolarHBondContact N-O 3.15Å; L252-L276 HydrophobicContact CB-CD1 4.01Å; L252-L276 HydrophobicContact CD2-CD1 3.86Å; L252-L276 HydrophobicContact CG-CD1 3.97Å; L252-D277 PolarHBondContact O-N 3.22Å
253	H	98.7	Very high	96.7	Very high	25 Å²	25	43.7 Å²	43.7	12%	0.116	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	112.4	-177.1	-61.9	-59.1	0	0	0	110.2	L230 L232 V233 Q255	L230-H253 PolarHBondContact O-N 3.34Å; L232-H253 PolarHBondContact N-O 3.23Å; V233-H253 HydrophobicContact CG2-CB 3.8Å; H253-Q255 VanDerWaalsContact CB-OE1 3.24Å
254	L	98.6	Very high	96.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.			trans	-128.1	24.2	-176.3	-67.8	171	0	0	0	111.6	L232 L237 P240 L252 N257 I259 F267 D277 L278 N281	L232-L254 HydrophobicContact CB-CD2 4.05Å; L232-L254 HydrophobicContact CD1-CD2 4.1Å; L237-L254 HydrophobicContact CD1-CD2 4Å; P240-L254 HydrophobicContact CB-CD1 4.07Å; P240-L254 HydrophobicContact CG-CD1 4.36Å; L252-L254 HydrophobicContact CD1-CD1 4.34Å; L252-L254 HydrophobicContact CD1-CD2 4.44Å; L252-L254 HydrophobicContact CD1-CG 4.15Å; L252-L254 HydrophobicContact CD2-CD1 3.98Å; L252-L254 HydrophobicContact CG-CD1 3.99Å; L252-L254 HydrophobicContact CG-CG 4.09Å; L254-N257 PolarHBondContact O-ND2 3.46Å; L254-I259 HydrophobicContact CB-CD1 4.02Å; L254-I259 HydrophobicContact CD1-CD1 4.35Å; L254-F267 HydrophobicContact CD1-CE1 4.42Å; L254-D277 CarbonylContact C-O 3.59Å; L254-D277 WeakPolarHBondContact CA-O 3.39Å; L254-D277 PolarHBondContact N-O 3.04Å; L254-L278 HydrophobicContact CB-CD2 3.82Å; L254-L278 HydrophobicContact CD1-CD2 3.71Å; L254-L278 HydrophobicContact CG-CD2 4.43Å; L254-N281 PolarHBondContact O-ND2 3.02Å
255	Q	98.1	Very high	96.4	Very high	21 Å²	21	46.3 Å²	46.3	10%	0.098	26%	0.259	C	S	.	.			trans	-67.7	157.4	-175.9	-51.8	94.3	-45.2	0	0	112.2	V233 R234 H253 N257 D277 S279	V233-Q255 WeakPolarHBondContact CA-O 3.15Å; V233-Q255 HydrophobicContact CG1-CB 4.05Å; R234-Q255 PolarHBondContact N-O 3.1Å; H253-Q255 VanDerWaalsContact CB-OE1 3.24Å; Q255-N257 VanDerWaalsContact C-N 3.27Å; Q255-N257 PolarHBondContact O-N 3.1Å; Q255-N257 PolarHBondContact O-ND2 3.47Å; Q255-D277 HydrophobicContact CG-CB 3.88Å; Q255-D277 VanDerWaalsContact CG-OD1 3.24Å; Q255-D277 WeakPolarHBondContact CG-OD1 3.47Å; Q255-D277 WeakPolarHBondContact CG-OD2 3.45Å; Q255-D277 PolarHBondContact NE2-OD2 3.38Å; Q255-S279 CarbonylContact C-O 3.47Å; Q255-S279 WeakPolarHBondContact CA-O 3.39Å; Q255-S279 WeakPolarHBondContact CB-O 3.3Å
256	D	98.2	Very high	96.4	Very high	88 Å²	88	46.7 Å²	46.7	47%	0.471	26%	0.263	S	S	.	.	S	Bend	trans	52.5	45.2	171.7	-56	-41.4	0	0	0	112.7	R234 S279 G280	R234-D256 VanDerWaalsContact CA-O 3.24Å; R234-D256 WeakPolarHBondContact CA-O 3.32Å; R234-D256 HydrophobicContact CG-CB 3.85Å; R234-D256 PolarHBondContact N-O 2.76Å; D256-S279 PolarHBondContact N-O 3.49Å; D256-G280 VanDerWaalsContact CA-O 3.31Å; D256-G280 WeakPolarHBondContact CA-O 3.44Å
257	N	98.6	Very high	96.7	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	25%	0.253	C	S	.	.	S	Bend	trans	-111.1	-170.6	172.7	-85.6	-90.3	0	0	0	109.6	L232 N235 L237 L254 Q255 I259 N281	L232-N257 PolarHBondContact O-ND2 3.27Å; N235-N257 WeakPolarHBondContact CA-OD1 3.41Å; N235-N257 WeakPolarHBondContact CB-OD1 3.11Å; N235-N257 PolarHBondContact N-OD1 2.98Å; N235-N257 PolarHBondContact O-OD1 2.96Å; N235-N257 VanDerWaalsContact O-OD1 3.11Å; L237-N257 HydrophobicContact CB-CB 4.24Å; L237-N257 VanDerWaalsContact CB-OD1 3.27Å; L237-N257 WeakPolarHBondContact CB-OD1 3.32Å; L237-N257 VanDerWaalsContact CG-OD1 3.3Å; L237-N257 WeakPolarHBondContact CG-OD1 3.28Å; L237-N257 PolarHBondContact N-OD1 3.41Å; L254-N257 PolarHBondContact O-ND2 3.46Å; Q255-N257 VanDerWaalsContact C-N 3.27Å; Q255-N257 PolarHBondContact O-N 3.1Å; Q255-N257 PolarHBondContact O-ND2 3.47Å; N257-I259 HydrophobicContact CB-CD1 4.27Å; N257-I259 HydrophobicContact CB-CG1 4Å; N257-N281 WeakPolarHBondContact CA-OD1 3.14Å; N257-N281 WeakPolarHBondContact CB-OD1 3.49Å; N257-N281 PolarHBondContact N-OD1 2.93Å; N257-N281 PolarHBondContact O-OD1 3.21Å
258	H	98	Very high	96.7	Very high	117 Å²	117	43 Å²	43	54%	0.542	24%	0.238	S	C	.	.			trans	-109.3	31.9	175.6	-60.8	-40.7	0	0	0	111.9	L237 T238 N260	L237-H258 CarbonylContact O-C 3.5Å; L237-H258 WeakPolarHBondContact O-CA 3.47Å; L237-H258 PolarHBondContact O-N 3.23Å; T238-H258 WeakPolarHBondContact CA-O 3.15Å; H258-N260 PolarHBondContact O-N 3.49Å; H258-N260 VanDerWaalsContact O-N 3.1Å
259	I	98.5	Very high	96.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.259	C	S	.	.			trans	-66	116.1	-174.5	-62.7	172	0	0	0	108.7	L237 T238 L254 N257 L278 N281 N282 L283	L237-I259 HydrophobicContact CB-CG1 4.21Å; L237-I259 PolarHBondContact O-N 2.98Å; T238-I259 WeakPolarHBondContact O-CA 3.36Å; L254-I259 HydrophobicContact CB-CD1 4.02Å; L254-I259 HydrophobicContact CD1-CD1 4.35Å; N257-I259 HydrophobicContact CB-CD1 4.27Å; N257-I259 HydrophobicContact CB-CG1 4Å; I259-L278 HydrophobicContact CD1-CD2 3.98Å; I259-N281 HydrophobicContact CB-CB 4.08Å; I259-N281 VanDerWaalsContact CB-OD1 3.22Å; I259-N281 WeakPolarHBondContact CB-OD1 3.48Å; I259-N281 WeakPolarHBondContact CG1-OD1 3.31Å; I259-N281 PolarHBondContact N-OD1 3.38Å; I259-N282 CarbonylContact O-C 3.57Å; I259-N282 WeakPolarHBondContact O-CA 3.2Å; I259-N282 PolarHBondContact O-N 2.99Å; I259-L283 HydrophobicContact CG2-CD2 3.85Å; I259-L283 HydrophobicContact CG2-CG 4.26Å; I259-L283 PolarHBondContact O-N 2.88Å
260	N	97.5	Very high	96.6	Very high	71 Å²	71	49.5 Å²	49.5	38%	0.38	26%	0.259	S	S	.	.			trans	-110.3	-13.5	-178.8	64.8	14.2	0	0	0	113	T238 H258 N282	T238-N260 PolarHBondContact O-N 2.86Å; T238-N260 PolarHBondContact O-OD1 3.35Å; H258-N260 PolarHBondContact O-N 3.49Å; H258-N260 VanDerWaalsContact O-N 3.1Å; N260-N282 HydrophobicContact CB-CB 4.48Å
261	R	95.9	Very high	96.5	Very high	153 Å²	153	51.8 Å²	51.8	58%	0.577	26%	0.264	S	S	*	.			trans	-146.9	144.9	178.6	67.1	-167.6	-179.6	-143.8	-0.8	111	P240	P240-R261 WeakPolarHBondContact CD-O 3.35Å
262	V	97.2	Very high	96.4	Very high	9 Å²	9	53.8 Å²	53.8	6%	0.055	27%	0.274	C	S	.	.			trans	-112.9	116	167.8	-176.1	0	0	0	0	107.3	P240 A266 F267 L283 L286 P287 V290	P240-V262 HydrophobicContact CG-CG1 4.23Å; P240-V262 HydrophobicContact CG-CG2 4.26Å; V262-A266 HydrophobicContact CG1-CB 3.81Å; V262-F267 HydrophobicContact CG1-CD2 4.14Å; V262-F267 HydrophobicContact CG1-CE2 3.57Å; V262-F267 HydrophobicContact CG1-CZ 4.12Å; V262-L283 HydrophobicContact CG2-CD1 4.32Å; V262-L283 HydrophobicContact CG2-CD2 3.75Å; V262-L286 HydrophobicContact CB-CD2 4.26Å; V262-L286 HydrophobicContact CG2-CD2 3.79Å; V262-P287 WeakPolarHBondContact O-CD 3.14Å; V262-P287 VanDerWaalsContact O-CG 3.22Å; V262-P287 WeakPolarHBondContact O-CG 3.46Å; V262-V290 HydrophobicContact CB-CG2 4.37Å; V262-V290 HydrophobicContact CG1-CG2 3.48Å; V262-V290 VanDerWaalsContact CG1-CG2 3.48Å
263	P	95.1	Very high	96.4	Very high	62 Å²	62	53.8 Å²	53.8	40%	0.403	27%	0.274	S	S	.	.			trans	-58.4	147.3	169.8	-23.5	32.4	0	0	0	111.6	G265 A266	P263-G265 PolarHBondContact O-N 3Å; P263-A266 HydrophobicContact CB-CB 4.21Å; P263-A266 HydrophobicContact CG-CB 4.38Å; P263-A266 VanDerWaalsContact O-CB 3.24Å; P263-A266 WeakPolarHBondContact O-CB 3.5Å; P263-A266 PolarHBondContact O-N 3.39Å
264	S	91.3	Very high	96.3	Very high	93 Å²	93	55 Å²	55	65%	0.65	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-34.7	-176.5	47.4	0	0	0	0	113.7
265	G	90.8	Very high	96.3	Very high	48 Å²	48	56.3 Å²	56.3	50%	0.495	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	9.3	177.5	0	0	0	0	0	115.5	P263 F267 A268	P263-G265 PolarHBondContact O-N 3Å; G265-F267 PolarHBondContact O-N 3.17Å; G265-A268 WeakPolarHBondContact O-CB 3.26Å; G265-A268 PolarHBondContact O-N 2.94Å
266	A	94.8	Very high	96.3	Very high	14 Å²	14	55.3 Å²	55.3	12%	0.116	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.1	-172.7	0	0	0	0	0	114	P240 V262 P263	P240-A266 HydrophobicContact CB-CB 4.29Å; P240-A266 HydrophobicContact CG-CB 4.41Å; V262-A266 HydrophobicContact CG1-CB 3.81Å; P263-A266 HydrophobicContact CB-CB 4.21Å; P263-A266 HydrophobicContact CG-CB 4.38Å; P263-A266 VanDerWaalsContact O-CB 3.24Å; P263-A266 WeakPolarHBondContact O-CB 3.5Å; P263-A266 PolarHBondContact O-N 3.39Å
267	F	96.6	Very high	96.3	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.009	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	16.6	178.3	-52.4	-50.6	0	0	0	112.6	P240 L252 L254 V262 G265 L270 L276 L278 V290 F291 L294	P240-F267 HydrophobicContact CB-CE1 3.97Å; P240-F267 HydrophobicContact CB-CZ 4.15Å; P240-F267 HydrophobicContact CG-CE1 4.09Å; P240-F267 HydrophobicContact CG-CZ 3.73Å; L252-F267 HydrophobicContact CD2-CD1 4.22Å; L252-F267 HydrophobicContact CD2-CE1 3.9Å; L254-F267 HydrophobicContact CD1-CE1 4.42Å; V262-F267 HydrophobicContact CG1-CD2 4.14Å; V262-F267 HydrophobicContact CG1-CE2 3.57Å; V262-F267 HydrophobicContact CG1-CZ 4.12Å; G265-F267 PolarHBondContact O-N 3.17Å; F267-L270 HydrophobicContact CB-CD1 4.08Å; F267-L270 HydrophobicContact CD1-CD1 3.97Å; F267-L270 PolarHBondContact O-N 3.07Å; F267-L276 HydrophobicContact CD2-CD2 4.22Å; F267-L276 HydrophobicContact CE1-CD1 4.29Å; F267-L276 HydrophobicContact CE1-CD2 4.43Å; F267-L276 HydrophobicContact CE2-CD2 3.98Å; F267-L276 HydrophobicContact CZ-CD1 4.36Å; F267-L276 HydrophobicContact CZ-CD2 4.11Å; F267-L278 HydrophobicContact CE2-CD1 4.09Å; F267-L278 HydrophobicContact CZ-CD1 3.95Å; F267-L278 HydrophobicContact CZ-CD2 4.45Å; F267-V290 HydrophobicContact CD2-CG2 3.99Å; F267-V290 HydrophobicContact CE2-CG2 4.41Å; F267-F291 HydrophobicContact CD2-CD1 4.3Å; F267-F291 HydrophobicContact CD2-CE1 4.14Å; F267-F291 HydrophobicContact CE2-CE1 4.18Å; F267-L294 HydrophobicContact CB-CD2 4.22Å
268	A	93.5	Very high	96.3	Very high	28 Å²	28	51 Å²	51	23%	0.231	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	145.4	176.8	0	0	0	0	0	110.4	G265 L270 D293	G265-A268 WeakPolarHBondContact O-CB 3.26Å; G265-A268 PolarHBondContact O-N 2.94Å; A268-L270 PolarHBondContact O-N 2.85Å; A268-D293 WeakPolarHBondContact CA-OD2 3.33Å
269	Y	94.4	Very high	96.3	Very high	171 Å²	171	45.9 Å²	45.9	67%	0.671	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	4.5	178.7	-44.5	-70.8	0	0	0	116.9	R271 D293	Y269-R271 PolarHBondContact O-N 3Å; Y269-D293 PolarHBondContact N-OD2 3.27Å
270	L	96.8	Very high	96.3	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.242	C	C	.	.			trans	-79	53.6	178	-59.9	-174.2	0	0	0	112.5	L244 L249 L252 F267 A268 Q272 L273 L294	L244-L270 HydrophobicContact CB-CD2 4.12Å; L244-L270 HydrophobicContact CD1-CD1 4.4Å; L249-L270 HydrophobicContact CD2-CD2 4.17Å; L252-L270 HydrophobicContact CD2-CD1 4.48Å; F267-L270 HydrophobicContact CB-CD1 4.08Å; F267-L270 HydrophobicContact CD1-CD1 3.97Å; F267-L270 PolarHBondContact O-N 3.07Å; A268-L270 PolarHBondContact O-N 2.85Å; L270-Q272 VanDerWaalsContact C-N 3.3Å; L270-Q272 PolarHBondContact O-N 3.07Å; L270-L273 HydrophobicContact CB-CB 4.11Å; L270-L273 HydrophobicContact CB-CD2 4.48Å; L270-L273 HydrophobicContact CD1-CD2 4.21Å; L270-L273 WeakPolarHBondContact O-CB 3.48Å; L270-L273 PolarHBondContact O-N 2.83Å; L270-L273 VanDerWaalsContact O-N 3.11Å; L270-L294 HydrophobicContact CB-CD2 3.75Å; L270-L294 WeakPolarHBondContact O-CD2 3.37Å
271	R	96.2	Very high	96.4	Very high	129 Å²	129	43.8 Å²	43.8	49%	0.487	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-27.2	-170	-64.5	-176	177.5	178.9	-1.6	114.5	Y269 L273 D293 D295 N296	Y269-R271 PolarHBondContact O-N 3Å; R271-L273 VanDerWaalsContact C-N 3.31Å; R271-D293 WeakPolarHBondContact CA-O 3.2Å; R271-D293 WeakPolarHBondContact CG-O 3.43Å; R271-D295 WeakPolarHBondContact CD-OD2 3.34Å; R271-D295 WeakPolarHBondContact CG-OD2 3.42Å; R271-D295 IonicContact NE-OD2 3.74Å; R271-N296 VanDerWaalsContact O-CB 3.31Å; R271-N296 WeakPolarHBondContact O-CB 3.5Å; R271-N296 PolarHBondContact O-N 3.05Å
272	Q	97.3	Very high	96.5	Very high	93 Å²	93	41.2 Å²	41.2	44%	0.435	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.5	178.4	-59.8	-53.5	-38.4	0	0	113.3	T247 L249 L270 Y274	T247-Q272 WeakPolarHBondContact O-CG 3.13Å; L249-Q272 CarbonylContact O-C 3.54Å; L249-Q272 VanDerWaalsContact O-C 3.27Å; L270-Q272 VanDerWaalsContact C-N 3.3Å; L270-Q272 PolarHBondContact O-N 3.07Å; Q272-Y274 PolarHBondContact O-N 3.43Å; Q272-Y274 VanDerWaalsContact O-N 3.09Å
273	L	98.1	Very high	96.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.			trans	-67.8	112.2	-171.6	-164.5	78.3	0	0	0	110.4	L249 L252 L270 R271 L276 L294 N296 L297	L249-L273 HydrophobicContact CD2-CD1 4.21Å; L249-L273 HydrophobicContact CG-CD1 4.01Å; L249-L273 VanDerWaalsContact O-CA 3.25Å; L249-L273 WeakPolarHBondContact O-CA 3.47Å; L249-L273 PolarHBondContact O-N 3.27Å; L249-L273 VanDerWaalsContact O-N 3.12Å; L252-L273 HydrophobicContact CB-CD1 3.79Å; L252-L273 HydrophobicContact CB-CD2 4.42Å; L270-L273 HydrophobicContact CB-CB 4.11Å; L270-L273 HydrophobicContact CB-CD2 4.48Å; L270-L273 HydrophobicContact CD1-CD2 4.21Å; L270-L273 WeakPolarHBondContact O-CB 3.48Å; L270-L273 PolarHBondContact O-N 2.83Å; L270-L273 VanDerWaalsContact O-N 3.11Å; R271-L273 VanDerWaalsContact C-N 3.31Å; L273-L276 HydrophobicContact CD2-CB 4.01Å; L273-L276 HydrophobicContact CD2-CD1 4.47Å; L273-L294 HydrophobicContact CB-CD2 4.21Å; L273-L294 HydrophobicContact CD2-CD2 3.94Å; L273-N296 CarbonylContact O-C 3.56Å; L273-L297 WeakPolarHBondContact O-CA 3.45Å; L273-L297 PolarHBondContact O-N 3.1Å
274	Y	97.4	Very high	96.6	Very high	50 Å²	50	40 Å²	40	20%	0.196	22%	0.217	C	C	.	.			trans	-99.3	-23.7	178.7	85.5	-98.3	0	0	0	112.3	E250 K251 Q272 N296 T298 H299	E250-Y274 HydrophobicContact CB-CD1 3.67Å; E250-Y274 HydrophobicContact CB-CE1 3.79Å; E250-Y274 HydrophobicContact CG-CD1 4.19Å; E250-Y274 HydrophobicContact CG-CE1 4.47Å; E250-Y274 VanDerWaalsContact O-CD1 3.3Å; E250-Y274 WeakPolarHBondContact O-CD1 3.42Å; E250-Y274 PolarHBondContact O-N 3.11Å; K251-Y274 HydrophobicContact CD-CE1 4.15Å; K251-Y274 WeakPolarHBondContact CD-OH 3.25Å; K251-Y274 WeakPolarHBondContact CE-OH 3.43Å; K251-Y274 HydrophobicContact CG-CD1 4.37Å; K251-Y274 HydrophobicContact CG-CE1 3.56Å; Q272-Y274 PolarHBondContact O-N 3.43Å; Q272-Y274 VanDerWaalsContact O-N 3.09Å; Y274-N296 WeakPolarHBondContact CA-O 2.98Å; Y274-N296 WeakPolarHBondContact CB-O 3.32Å; Y274-T298 WeakPolarHBondContact CD2-OG1 3.22Å; Y274-T298 PolarHBondContact O-N 2.91Å; Y274-T298 PolarHBondContact O-OG1 2.86Å; Y274-H299 PolarHBondContact O-N 3.04Å
275	R	98.4	Very high	96.8	Very high	29 Å²	29	37.1 Å²	37.1	11%	0.109	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	120.1	179.8	-174.8	164.2	-173.1	161.2	-1.1	112	E250 K251 L252 H299 D573	E250-R275 PolarHBondContact O-N 3.2Å; E250-R275 VanDerWaalsContact O-N 3.08Å; K251-R275 WeakPolarHBondContact CA-O 3.47Å; K251-R275 HydrophobicContact CG-CB 4.25Å; L252-R275 PolarHBondContact N-O 3.15Å; R275-H299 WeakPolarHBondContact CA-O 3.38Å; R275-H299 HydrophobicContact CB-CB 4.22Å; R275-H299 HydrophobicContact CG-CB 3.93Å; R275-D573 IonicContact NH1-OD1 3.47Å; R275-D573 PolarHBondContact NH1-OD1 3.2Å
276	L	98.4	Very high	97.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.1	173	177.1	57.1	0	0	0	109.6	L252 F267 L273 L278 F291 L294 L297 H299 L300 L301	L252-L276 HydrophobicContact CB-CD1 4.01Å; L252-L276 HydrophobicContact CD2-CD1 3.86Å; L252-L276 HydrophobicContact CG-CD1 3.97Å; F267-L276 HydrophobicContact CD2-CD2 4.22Å; F267-L276 HydrophobicContact CE1-CD1 4.29Å; F267-L276 HydrophobicContact CE1-CD2 4.43Å; F267-L276 HydrophobicContact CE2-CD2 3.98Å; F267-L276 HydrophobicContact CZ-CD1 4.36Å; F267-L276 HydrophobicContact CZ-CD2 4.11Å; L273-L276 HydrophobicContact CD2-CB 4.01Å; L273-L276 HydrophobicContact CD2-CD1 4.47Å; L276-L278 HydrophobicContact CD1-CD1 4.41Å; L276-L278 HydrophobicContact CD1-CG 4.23Å; L276-L278 HydrophobicContact CD2-CD1 4.13Å; L276-L278 HydrophobicContact CG-CD1 4.26Å; L276-L278 HydrophobicContact CG-CG 4.39Å; L276-F291 HydrophobicContact CD2-CE1 4.11Å; L276-L294 HydrophobicContact CD2-CD1 4.27Å; L276-L297 HydrophobicContact CB-CD1 4.15Å; L276-H299 PolarHBondContact N-O 3.16Å; L276-L300 HydrophobicContact CB-CD1 3.91Å; L276-L300 HydrophobicContact CD2-CD1 3.8Å; L276-L300 HydrophobicContact CG-CD1 3.86Å; L276-L300 WeakPolarHBondContact O-CA 3.39Å; L276-L301 PolarHBondContact O-N 2.95Å
277	D	98.5	Very high	97.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	115.1	176	-161.4	-16.1	0	0	0	111.4	L252 L254 Q255 S279 L301	L252-D277 PolarHBondContact O-N 3.22Å; L254-D277 CarbonylContact C-O 3.59Å; L254-D277 WeakPolarHBondContact CA-O 3.39Å; L254-D277 PolarHBondContact N-O 3.04Å; Q255-D277 HydrophobicContact CG-CB 3.88Å; Q255-D277 VanDerWaalsContact CG-OD1 3.24Å; Q255-D277 WeakPolarHBondContact CG-OD1 3.47Å; Q255-D277 WeakPolarHBondContact CG-OD2 3.45Å; Q255-D277 PolarHBondContact NE2-OD2 3.38Å; D277-S279 WeakPolarHBondContact OD1-CB 3.39Å; D277-S279 PolarHBondContact OD1-N 2.93Å; D277-S279 PolarHBondContact OD1-OG 3.47Å; D277-L301 HydrophobicContact CB-CB 4.09Å; D277-L301 HydrophobicContact CB-CD1 4.28Å; D277-L301 VanDerWaalsContact CG-CB 3.47Å; D277-L301 VanDerWaalsContact OD1-CB 3.29Å; D277-L301 WeakPolarHBondContact OD1-CB 3.33Å; D277-L301 VanDerWaalsContact OD2-CD1 3.28Å; D277-L301 WeakPolarHBondContact OD2-CD1 3.4Å
278	L	98.3	Very high	97	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.217	C	C	.	.			trans	-117.3	19.5	178.4	-75.2	163.6	0	0	0	110.8	L254 I259 F267 L276 N281 L283 L301 L302 N305	L254-L278 HydrophobicContact CB-CD2 3.82Å; L254-L278 HydrophobicContact CD1-CD2 3.71Å; L254-L278 HydrophobicContact CG-CD2 4.43Å; I259-L278 HydrophobicContact CD1-CD2 3.98Å; F267-L278 HydrophobicContact CE2-CD1 4.09Å; F267-L278 HydrophobicContact CZ-CD1 3.95Å; F267-L278 HydrophobicContact CZ-CD2 4.45Å; L276-L278 HydrophobicContact CD1-CD1 4.41Å; L276-L278 HydrophobicContact CD1-CG 4.23Å; L276-L278 HydrophobicContact CD2-CD1 4.13Å; L276-L278 HydrophobicContact CG-CD1 4.26Å; L276-L278 HydrophobicContact CG-CG 4.39Å; L278-N281 PolarHBondContact O-ND2 2.94Å; L278-L283 HydrophobicContact CB-CD1 4.35Å; L278-L283 HydrophobicContact CD1-CD1 4.46Å; L278-L301 PolarHBondContact N-O 3Å; L278-L302 HydrophobicContact CB-CD2 3.71Å; L278-L302 HydrophobicContact CD1-CD2 3.97Å; L278-N305 PolarHBondContact O-ND2 2.93Å
279	S	98.3	Very high	96.9	Very high	11 Å²	11	43.9 Å²	43.9	8%	0.077	22%	0.22	C	C	.	.			trans	-65.7	149.1	-177	-53.8	0	0	0	0	112.5	Q255 D256 D277 N281 R303	Q255-S279 CarbonylContact C-O 3.47Å; Q255-S279 WeakPolarHBondContact CA-O 3.39Å; Q255-S279 WeakPolarHBondContact CB-O 3.3Å; D256-S279 PolarHBondContact N-O 3.49Å; D277-S279 WeakPolarHBondContact OD1-CB 3.39Å; D277-S279 PolarHBondContact OD1-N 2.93Å; D277-S279 PolarHBondContact OD1-OG 3.47Å; S279-N281 PolarHBondContact O-ND2 3.24Å; S279-R303 CarbonylContact C-O 3.34Å; S279-R303 WeakPolarHBondContact CA-O 3.25Å; S279-R303 WeakPolarHBondContact CB-O 3.5Å; S279-R303 PolarHBondContact OG-N 2.93Å
280	G	97.9	Very high	97	Very high	18 Å²	18	36 Å²	36	19%	0.186	19%	0.19	C	C	.	.	S	Bend	trans	70.4	36.1	177.3	0	0	0	0	0	113.5	D256 R303 N304	D256-G280 VanDerWaalsContact CA-O 3.31Å; D256-G280 WeakPolarHBondContact CA-O 3.44Å; G280-R303 PolarHBondContact N-O 2.93Å; G280-N304 WeakPolarHBondContact CA-O 3.43Å; G280-N304 PolarHBondContact N-O 2.93Å
281	N	98.7	Very high	96.9	Very high	9 Å²	9	36.4 Å²	36.4	5%	0.048	19%	0.191	C	C	.	.	S	Bend	trans	-114.5	-176.4	176.6	-81.7	-74.4	0	0	0	110.9	L254 N257 I259 L278 S279 L283 N304 N305 P306	L254-N281 PolarHBondContact O-ND2 3.02Å; N257-N281 WeakPolarHBondContact CA-OD1 3.14Å; N257-N281 WeakPolarHBondContact CB-OD1 3.49Å; N257-N281 PolarHBondContact N-OD1 2.93Å; N257-N281 PolarHBondContact O-OD1 3.21Å; I259-N281 HydrophobicContact CB-CB 4.08Å; I259-N281 VanDerWaalsContact CB-OD1 3.22Å; I259-N281 WeakPolarHBondContact CB-OD1 3.48Å; I259-N281 WeakPolarHBondContact CG1-OD1 3.31Å; I259-N281 PolarHBondContact N-OD1 3.38Å; L278-N281 PolarHBondContact O-ND2 2.94Å; S279-N281 PolarHBondContact O-ND2 3.24Å; N281-L283 HydrophobicContact CB-CG 4.43Å; N281-N304 PolarHBondContact N-O 2.88Å; N281-N305 WeakPolarHBondContact CA-OD1 3.17Å; N281-N305 WeakPolarHBondContact CB-OD1 3.34Å; N281-N305 PolarHBondContact N-OD1 3.2Å; N281-N305 PolarHBondContact O-OD1 2.88Å; N281-P306 WeakPolarHBondContact O-CD 3.35Å
282	N	98.1	Very high	96.7	Very high	98 Å²	98	37.7 Å²	37.7	52%	0.524	20%	0.203	S	C	.	.			trans	-107.8	34.6	-178	-153.5	57.3	0	0	0	112.3	I259 N260	I259-N282 CarbonylContact O-C 3.57Å; I259-N282 WeakPolarHBondContact O-CA 3.2Å; I259-N282 PolarHBondContact O-N 2.99Å; N260-N282 HydrophobicContact CB-CB 4.48Å
283	L	97.9	Very high	96.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.195	C	C	.	.			trans	-76.3	124.7	-178.9	-67.9	168.1	0	0	0	111.4	I259 V262 L278 N281 L286 L302 N305 P306 W307	I259-L283 HydrophobicContact CG2-CD2 3.85Å; I259-L283 HydrophobicContact CG2-CG 4.26Å; I259-L283 PolarHBondContact O-N 2.88Å; V262-L283 HydrophobicContact CG2-CD1 4.32Å; V262-L283 HydrophobicContact CG2-CD2 3.75Å; L278-L283 HydrophobicContact CB-CD1 4.35Å; L278-L283 HydrophobicContact CD1-CD1 4.46Å; N281-L283 HydrophobicContact CB-CG 4.43Å; L283-L286 HydrophobicContact CD1-CD2 4.43Å; L283-L302 HydrophobicContact CD1-CD2 4.48Å; L283-N305 HydrophobicContact CB-CB 4.28Å; L283-N305 WeakPolarHBondContact CB-OD1 3.33Å; L283-N305 PolarHBondContact N-OD1 2.74Å; L283-N305 VanDerWaalsContact N-OD1 3.13Å; L283-P306 CarbonylContact O-C 3.53Å; L283-P306 VanDerWaalsContact O-CD 3.25Å; L283-P306 WeakPolarHBondContact O-CD 3.22Å; L283-W307 HydrophobicContact CB-CH2 3.57Å; L283-W307 HydrophobicContact CB-CZ2 4.25Å; L283-W307 HydrophobicContact CB-CZ3 3.75Å; L283-W307 HydrophobicContact CD1-CH2 3.92Å; L283-W307 HydrophobicContact CG-CH2 4.36Å
284	S	96.6	Very high	96.5	Very high	46 Å²	46	36 Å²	36	32%	0.322	20%	0.197	S	C	.	.			trans	-101.2	-29.6	174.7	59.8	0	0	0	0	113.1	P306 Q308	S284-P306 WeakPolarHBondContact CA-O 3.33Å; S284-Q308 PolarHBondContact O-N 3.43Å
285	S	95.8	Very high	96.3	Very high	33 Å²	33	39.1 Å²	39.1	23%	0.231	22%	0.217	C	C	.	.			trans	-154.4	165.1	178	58.5	0	0	0	0	110.5
286	L	96.7	Very high	96.1	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.026	23%	0.229	C	C	.	.			trans	-123.4	140.3	176.6	-66.5	170.2	0	0	0	110.2	V262 L283 V290 F291 W307 M313 W315 F332	V262-L286 HydrophobicContact CB-CD2 4.26Å; V262-L286 HydrophobicContact CG2-CD2 3.79Å; L283-L286 HydrophobicContact CD1-CD2 4.43Å; L286-V290 HydrophobicContact CB-CG1 4.27Å; L286-F291 HydrophobicContact CD1-CE2 3.71Å; L286-F291 HydrophobicContact CD1-CZ 3.67Å; L286-W307 HydrophobicContact CD1-CH2 3.89Å; L286-W307 HydrophobicContact CD1-CZ3 4.09Å; L286-W307 HydrophobicContact CD2-CH2 4.15Å; L286-W307 HydrophobicContact CD2-CZ3 4.33Å; L286-W307 HydrophobicContact CG-CH2 3.86Å; L286-W307 HydrophobicContact CG-CZ3 3.73Å; L286-M313 HydrophobicContact CB-CE 4.07Å; L286-M313 WeakPolarHBondContact O-CE 3.5Å; L286-W315 HydrophobicContact CB-CZ2 3.85Å; L286-W315 PolarHBondContact O-NE1 3.24Å; L286-W315 VanDerWaalsContact O-NE1 3.14Å; L286-F332 HydrophobicContact CD1-CE1 3.84Å; L286-F332 HydrophobicContact CD1-CZ 3.75Å
287	P	95.9	Very high	96.1	Very high	40 Å²	40	41.5 Å²	41.5	26%	0.26	23%	0.232	S	C	.	.			trans	-67.5	147.2	173.4	26.7	-29.1	0	0	0	110.7	V262 V290 W315	V262-P287 WeakPolarHBondContact O-CD 3.14Å; V262-P287 VanDerWaalsContact O-CG 3.22Å; V262-P287 WeakPolarHBondContact O-CG 3.46Å; P287-V290 HydrophobicContact CG-CB 3.99Å; P287-V290 HydrophobicContact CG-CG2 4.02Å; P287-V290 WeakPolarHBondContact O-CB 3.43Å; P287-V290 WeakPolarHBondContact O-CG1 3.48Å; P287-V290 PolarHBondContact O-N 2.96Å; P287-W315 WeakPolarHBondContact O-CZ2 3.27Å
288	Q	94.4	Very high	96	Very high	159 Å²	159	42.3 Å²	42.3	74%	0.743	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	139	176	-175.7	175.6	-12.2	0	0	110.6	V290 W315	Q288-V290 VanDerWaalsContact C-N 3.29Å; Q288-V290 PolarHBondContact O-N 3.23Å; Q288-W315 HydrophobicContact CB-CD2 4.32Å; Q288-W315 HydrophobicContact CB-CG 4.11Å; Q288-W315 HydrophobicContact CG-CB 4.23Å; Q288-W315 HydrophobicContact CG-CD2 4.27Å; Q288-W315 HydrophobicContact CG-CG 4.02Å
289	G	91.1	Very high	95.9	Very high	30 Å²	30	45.5 Å²	45.5	31%	0.309	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	1.5	177.8	0	0	0	0	0	115	F291 E292	G289-F291 PolarHBondContact O-N 3.01Å; G289-E292 VanDerWaalsContact O-CB 3.22Å; G289-E292 WeakPolarHBondContact O-CB 3.14Å; G289-E292 PolarHBondContact O-N 3.36Å
290	V	96.2	Very high	95.9	Very high	4 Å²	4	45 Å²	45	2%	0.024	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16	-176.4	73.8	0	0	0	0	115.1	V262 F267 L286 P287 Q288 W315	V262-V290 HydrophobicContact CB-CG2 4.37Å; V262-V290 HydrophobicContact CG1-CG2 3.48Å; V262-V290 VanDerWaalsContact CG1-CG2 3.48Å; F267-V290 HydrophobicContact CD2-CG2 3.99Å; F267-V290 HydrophobicContact CE2-CG2 4.41Å; L286-V290 HydrophobicContact CB-CG1 4.27Å; P287-V290 HydrophobicContact CG-CB 3.99Å; P287-V290 HydrophobicContact CG-CG2 4.02Å; P287-V290 WeakPolarHBondContact O-CB 3.43Å; P287-V290 WeakPolarHBondContact O-CG1 3.48Å; P287-V290 PolarHBondContact O-N 2.96Å; Q288-V290 VanDerWaalsContact C-N 3.29Å; Q288-V290 PolarHBondContact O-N 3.23Å; V290-W315 HydrophobicContact CG1-CH2 4Å; V290-W315 HydrophobicContact CG1-CZ2 4.21Å
291	F	95.3	Very high	95.9	Very high	10 Å²	10	44.8 Å²	44.8	4%	0.044	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	11.5	178.7	-54.3	-46.5	0	0	0	113.1	F267 L276 L286 G289 D293 L294 L300 W315 W319	F267-F291 HydrophobicContact CD2-CD1 4.3Å; F267-F291 HydrophobicContact CD2-CE1 4.14Å; F267-F291 HydrophobicContact CE2-CE1 4.18Å; L276-F291 HydrophobicContact CD2-CE1 4.11Å; L286-F291 HydrophobicContact CD1-CE2 3.71Å; L286-F291 HydrophobicContact CD1-CZ 3.67Å; G289-F291 PolarHBondContact O-N 3.01Å; F291-D293 PolarHBondContact O-N 2.58Å; F291-L294 HydrophobicContact CB-CD1 4.03Å; F291-L294 HydrophobicContact CD1-CD1 3.62Å; F291-L294 HydrophobicContact CG-CD1 4.23Å; F291-L294 PolarHBondContact O-N 3.35Å; F291-L300 HydrophobicContact CD2-CD2 4.34Å; F291-L300 HydrophobicContact CE1-CD1 4.47Å; F291-L300 HydrophobicContact CE2-CD2 3.94Å; F291-L300 HydrophobicContact CZ-CD1 4.46Å; F291-L300 HydrophobicContact CZ-CD2 4.04Å; F291-W315 HydrophobicContact CD2-CH2 4.01Å; F291-W315 HydrophobicContact CE2-CH2 4.26Å; F291-W319 HydrophobicContact CB-CZ2 4.1Å; F291-W319 AromaticContact CD2-CH2 3.86Å; F291-W319 HydrophobicContact CD2-CH2 3.86Å; F291-W319 AromaticContact CD2-CZ2 3.91Å; F291-W319 HydrophobicContact CD2-CZ2 3.91Å; F291-W319 HydrophobicContact CD2-CZ3 4.23Å; F291-W319 HydrophobicContact CE2-CH2 4.36Å; F291-W319 HydrophobicContact CE2-CZ3 4.47Å; F291-W319 HydrophobicContact CG-CZ2 4.36Å
292	E	92.6	Very high	95.8	Very high	156 Å²	156	44.3 Å²	44.3	73%	0.729	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-39.7	-172.9	-172.4	171.5	178.6	0	0	112.9	G289 L294	G289-E292 VanDerWaalsContact O-CB 3.22Å; G289-E292 WeakPolarHBondContact O-CB 3.14Å; G289-E292 PolarHBondContact O-N 3.36Å; E292-L294 VanDerWaalsContact C-N 3.3Å; E292-L294 PolarHBondContact O-N 3.3Å
293	D	94.2	Very high	95.7	Very high	48 Å²	48	44.4 Å²	44.4	26%	0.257	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	3.6	-179.9	-75.8	-28.9	0	0	0	114.3	A268 Y269 R271 F291 D295	A268-D293 WeakPolarHBondContact CA-OD2 3.33Å; Y269-D293 PolarHBondContact N-OD2 3.27Å; R271-D293 WeakPolarHBondContact CA-O 3.2Å; R271-D293 WeakPolarHBondContact CG-O 3.43Å; F291-D293 PolarHBondContact O-N 2.58Å; D293-D295 VanDerWaalsContact C-N 3.28Å; D293-D295 PolarHBondContact O-N 3.47Å; D293-D295 VanDerWaalsContact O-N 3.09Å
294	L	95.6	Very high	95.7	Very high	11 Å²	11	50.8 Å²	50.8	6%	0.058	27%	0.267	C	S	.	.			trans	-88.3	59.8	-176.2	-59.3	-175.4	0	0	0	112.1	F267 L270 L273 L276 F291 E292 N296 L297	F267-L294 HydrophobicContact CB-CD2 4.22Å; L270-L294 HydrophobicContact CB-CD2 3.75Å; L270-L294 WeakPolarHBondContact O-CD2 3.37Å; L273-L294 HydrophobicContact CB-CD2 4.21Å; L273-L294 HydrophobicContact CD2-CD2 3.94Å; L276-L294 HydrophobicContact CD2-CD1 4.27Å; F291-L294 HydrophobicContact CB-CD1 4.03Å; F291-L294 HydrophobicContact CD1-CD1 3.62Å; F291-L294 HydrophobicContact CG-CD1 4.23Å; F291-L294 PolarHBondContact O-N 3.35Å; E292-L294 VanDerWaalsContact C-N 3.3Å; E292-L294 PolarHBondContact O-N 3.3Å; L294-N296 VanDerWaalsContact C-N 3.3Å; L294-N296 PolarHBondContact O-N 3.46Å; L294-L297 HydrophobicContact CB-CB 4.02Å; L294-L297 HydrophobicContact CB-CD2 4.25Å; L294-L297 HydrophobicContact CD1-CD1 4.39Å; L294-L297 HydrophobicContact CD1-CD2 3.97Å; L294-L297 VanDerWaalsContact O-CB 3.3Å; L294-L297 WeakPolarHBondContact O-CB 3.47Å; L294-L297 PolarHBondContact O-N 2.78Å; L294-L297 VanDerWaalsContact O-N 3.15Å
295	D	93.4	Very high	95.7	Very high	115 Å²	115	49.1 Å²	49.1	62%	0.615	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-38.5	-171.4	-62.5	-28.1	0	0	0	114.1	R271 D293	R271-D295 WeakPolarHBondContact CD-OD2 3.34Å; R271-D295 WeakPolarHBondContact CG-OD2 3.42Å; R271-D295 IonicContact NE-OD2 3.74Å; D293-D295 VanDerWaalsContact C-N 3.28Å; D293-D295 PolarHBondContact O-N 3.47Å; D293-D295 VanDerWaalsContact O-N 3.09Å
296	N	95.4	Very high	95.8	Very high	66 Å²	66	49.3 Å²	49.3	35%	0.353	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	11.6	-175.6	-159.7	29.8	0	0	0	113.8	R271 L273 Y274 L294 T298	R271-N296 VanDerWaalsContact O-CB 3.31Å; R271-N296 WeakPolarHBondContact O-CB 3.5Å; R271-N296 PolarHBondContact O-N 3.05Å; L273-N296 CarbonylContact O-C 3.56Å; Y274-N296 WeakPolarHBondContact CA-O 2.98Å; Y274-N296 WeakPolarHBondContact CB-O 3.32Å; L294-N296 VanDerWaalsContact C-N 3.3Å; L294-N296 PolarHBondContact O-N 3.46Å; N296-T298 PolarHBondContact O-N 3.3Å
297	L	96.4	Very high	95.8	Very high	13 Å²	13	49.1 Å²	49.1	7%	0.068	25%	0.254	C	S	.	.			trans	-62	127.8	-175.3	-166.4	66.8	0	0	0	111.3	L273 L276 L294 L300 V327	L273-L297 WeakPolarHBondContact O-CA 3.45Å; L273-L297 PolarHBondContact O-N 3.1Å; L276-L297 HydrophobicContact CB-CD1 4.15Å; L294-L297 HydrophobicContact CB-CB 4.02Å; L294-L297 HydrophobicContact CB-CD2 4.25Å; L294-L297 HydrophobicContact CD1-CD1 4.39Å; L294-L297 HydrophobicContact CD1-CD2 3.97Å; L294-L297 VanDerWaalsContact O-CB 3.3Å; L294-L297 WeakPolarHBondContact O-CB 3.47Å; L294-L297 PolarHBondContact O-N 2.78Å; L294-L297 VanDerWaalsContact O-N 3.15Å; L297-L300 HydrophobicContact CD2-CB 4.16Å; L297-L300 HydrophobicContact CD2-CD2 4.37Å; L297-V327 WeakPolarHBondContact O-CG2 3.44Å
298	T	96.6	Very high	95.8	Very high	17 Å²	17	51 Å²	51	10%	0.104	26%	0.259	C	S	.	.			trans	-124.7	-29.1	177.2	57.1	0	0	0	0	112.4	Y274 N296 K326 N328	Y274-T298 WeakPolarHBondContact CD2-OG1 3.22Å; Y274-T298 PolarHBondContact O-N 2.91Å; Y274-T298 PolarHBondContact O-OG1 2.86Å; N296-T298 PolarHBondContact O-N 3.3Å; T298-K326 HydrophobicContact CG2-CD 4.41Å; T298-K326 HydrophobicContact CG2-CG 4.42Å; T298-N328 PolarHBondContact O-N 3.13Å
299	H	97.6	Very high	95.9	Very high	67 Å²	67	43.4 Å²	43.4	31%	0.31	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	113.5	-179.5	-63.3	-70.7	0	0	0	110.1	Y274 R275 L276	Y274-H299 PolarHBondContact O-N 3.04Å; R275-H299 WeakPolarHBondContact CA-O 3.38Å; R275-H299 HydrophobicContact CB-CB 4.22Å; R275-H299 HydrophobicContact CG-CB 3.93Å; L276-H299 PolarHBondContact N-O 3.16Å
300	L	97.6	Very high	95.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	115.6	172.2	-179.1	61.3	0	0	0	109.7	L276 F291 L297 L302 W319 N328 V329 R330	L276-L300 HydrophobicContact CB-CD1 3.91Å; L276-L300 HydrophobicContact CD2-CD1 3.8Å; L276-L300 HydrophobicContact CG-CD1 3.86Å; L276-L300 WeakPolarHBondContact O-CA 3.39Å; F291-L300 HydrophobicContact CD2-CD2 4.34Å; F291-L300 HydrophobicContact CE1-CD1 4.47Å; F291-L300 HydrophobicContact CE2-CD2 3.94Å; F291-L300 HydrophobicContact CZ-CD1 4.46Å; F291-L300 HydrophobicContact CZ-CD2 4.04Å; L297-L300 HydrophobicContact CD2-CB 4.16Å; L297-L300 HydrophobicContact CD2-CD2 4.37Å; L300-L302 HydrophobicContact CD1-CD1 4.05Å; L300-L302 HydrophobicContact CD1-CG 4.23Å; L300-L302 HydrophobicContact CD2-CD1 3.71Å; L300-L302 HydrophobicContact CG-CD1 3.65Å; L300-L302 HydrophobicContact CG-CG 4.18Å; L300-W319 HydrophobicContact CD2-CH2 3.58Å; L300-W319 HydrophobicContact CD2-CZ3 4.1Å; L300-N328 PolarHBondContact N-O 3.02Å; L300-V329 HydrophobicContact CB-CG1 4.23Å; L300-V329 HydrophobicContact CB-CG2 4.16Å; L300-V329 HydrophobicContact CD2-CG1 4.02Å; L300-V329 HydrophobicContact CD2-CG2 4.42Å; L300-V329 HydrophobicContact CG-CG1 4.25Å; L300-V329 WeakPolarHBondContact O-CA 3.43Å; L300-R330 PolarHBondContact O-N 3.26Å
301	L	98.1	Very high	95.7	Very high	13 Å²	13	46.8 Å²	46.8	7%	0.068	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.9	-175.1	-58.8	173.6	0	0	0	109.4	L276 D277 L278 R330	L276-L301 PolarHBondContact O-N 2.95Å; D277-L301 HydrophobicContact CB-CB 4.09Å; D277-L301 HydrophobicContact CB-CD1 4.28Å; D277-L301 VanDerWaalsContact CG-CB 3.47Å; D277-L301 VanDerWaalsContact OD1-CB 3.29Å; D277-L301 WeakPolarHBondContact OD1-CB 3.33Å; D277-L301 VanDerWaalsContact OD2-CD1 3.28Å; D277-L301 WeakPolarHBondContact OD2-CD1 3.4Å; L278-L301 PolarHBondContact N-O 3Å; L301-R330 HydrophobicContact CD2-CB 4.11Å; L301-R330 HydrophobicContact CD2-CG 4.38Å
302	L	97.1	Very high	95.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.27	C	S	.	.			trans	-136.9	22.2	-170.8	-76.4	158.6	0	0	0	111.6	L278 L283 L300 N305 W307 R330 F332	L278-L302 HydrophobicContact CB-CD2 3.71Å; L278-L302 HydrophobicContact CD1-CD2 3.97Å; L283-L302 HydrophobicContact CD1-CD2 4.48Å; L300-L302 HydrophobicContact CD1-CD1 4.05Å; L300-L302 HydrophobicContact CD1-CG 4.23Å; L300-L302 HydrophobicContact CD2-CD1 3.71Å; L300-L302 HydrophobicContact CG-CD1 3.65Å; L300-L302 HydrophobicContact CG-CG 4.18Å; L302-N305 PolarHBondContact O-ND2 3.2Å; L302-N305 VanDerWaalsContact O-ND2 3.16Å; L302-W307 HydrophobicContact CB-CZ2 3.94Å; L302-W307 HydrophobicContact CD2-CH2 3.94Å; L302-W307 HydrophobicContact CD2-CZ2 3.64Å; L302-W307 HydrophobicContact CG-CZ2 4.25Å; L302-W307 PolarHBondContact O-NE1 3.44Å; L302-R330 PolarHBondContact N-O 2.89Å; L302-F332 HydrophobicContact CD1-CD1 4.45Å; L302-F332 HydrophobicContact CD1-CD2 4.04Å; L302-F332 HydrophobicContact CD1-CE1 3.82Å; L302-F332 HydrophobicContact CD1-CE2 3.33Å; L302-F332 HydrophobicContact CD1-CZ 3.22Å
303	R	96	Very high	95.6	Very high	100 Å²	100	47.2 Å²	47.2	38%	0.377	24%	0.235	S	C	.	.			trans	-64.4	157	-175.8	-66.6	-179.9	177.5	138.1	-4.5	110.3	S279 G280 N305	S279-R303 CarbonylContact C-O 3.34Å; S279-R303 WeakPolarHBondContact CA-O 3.25Å; S279-R303 WeakPolarHBondContact CB-O 3.5Å; S279-R303 PolarHBondContact OG-N 2.93Å; G280-R303 PolarHBondContact N-O 2.93Å; R303-N305 PolarHBondContact O-N 3.09Å; R303-N305 PolarHBondContact O-ND2 3.08Å
304	N	96.8	Very high	95.6	Very high	133 Å²	133	48.6 Å²	48.6	71%	0.711	24%	0.239	S	C	*	.	S	Bend	trans	55.1	50.1	176.1	-53.7	-18.6	0	0	0	112.6	G280 N281	G280-N304 WeakPolarHBondContact CA-O 3.43Å; G280-N304 PolarHBondContact N-O 2.93Å; N281-N304 PolarHBondContact N-O 2.88Å
305	N	97.9	Very high	95.5	Very high	12 Å²	12	49.8 Å²	49.8	6%	0.064	24%	0.242	C	C	.	.			trans	-124.2	140.9	169.6	-81.9	-80.6	0	0	0	109.1	L278 N281 L283 L302 R303 W307	L278-N305 PolarHBondContact O-ND2 2.93Å; N281-N305 WeakPolarHBondContact CA-OD1 3.17Å; N281-N305 WeakPolarHBondContact CB-OD1 3.34Å; N281-N305 PolarHBondContact N-OD1 3.2Å; N281-N305 PolarHBondContact O-OD1 2.88Å; L283-N305 HydrophobicContact CB-CB 4.28Å; L283-N305 WeakPolarHBondContact CB-OD1 3.33Å; L283-N305 PolarHBondContact N-OD1 2.74Å; L283-N305 VanDerWaalsContact N-OD1 3.13Å; L302-N305 PolarHBondContact O-ND2 3.2Å; L302-N305 VanDerWaalsContact O-ND2 3.16Å; R303-N305 PolarHBondContact O-N 3.09Å; R303-N305 PolarHBondContact O-ND2 3.08Å; N305-W307 HydrophobicContact CB-CD2 4.24Å; N305-W307 HydrophobicContact CB-CH2 4.45Å; N305-W307 HydrophobicContact CB-CZ2 3.65Å; N305-W307 PolarHBondContact O-N 3.1Å
306	P	97.3	Very high	95.6	Very high	37 Å²	37	44.3 Å²	44.3	24%	0.24	21%	0.213	C	C	.	.			trans	-79.4	63.5	-177.1	34	-37.8	0	0	0	112.8	N281 L283 S284 Q308 Q335	N281-P306 WeakPolarHBondContact O-CD 3.35Å; L283-P306 CarbonylContact O-C 3.53Å; L283-P306 VanDerWaalsContact O-CD 3.25Å; L283-P306 WeakPolarHBondContact O-CD 3.22Å; S284-P306 WeakPolarHBondContact CA-O 3.33Å; P306-Q308 PolarHBondContact O-N 2.87Å; P306-Q335 HydrophobicContact CB-CB 4.48Å; P306-Q335 HydrophobicContact CB-CG 4.41Å
307	W	97.1	Very high	95.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	123	-175.9	-62	112.4	0	0	0	112.9	L283 L286 L302 N305 G331 F332 Q335 G336 I345	L283-W307 HydrophobicContact CB-CH2 3.57Å; L283-W307 HydrophobicContact CB-CZ2 4.25Å; L283-W307 HydrophobicContact CB-CZ3 3.75Å; L283-W307 HydrophobicContact CD1-CH2 3.92Å; L283-W307 HydrophobicContact CG-CH2 4.36Å; L286-W307 HydrophobicContact CD1-CH2 3.89Å; L286-W307 HydrophobicContact CD1-CZ3 4.09Å; L286-W307 HydrophobicContact CD2-CH2 4.15Å; L286-W307 HydrophobicContact CD2-CZ3 4.33Å; L286-W307 HydrophobicContact CG-CH2 3.86Å; L286-W307 HydrophobicContact CG-CZ3 3.73Å; L302-W307 HydrophobicContact CB-CZ2 3.94Å; L302-W307 HydrophobicContact CD2-CH2 3.94Å; L302-W307 HydrophobicContact CD2-CZ2 3.64Å; L302-W307 HydrophobicContact CG-CZ2 4.25Å; L302-W307 PolarHBondContact O-NE1 3.44Å; N305-W307 HydrophobicContact CB-CD2 4.24Å; N305-W307 HydrophobicContact CB-CH2 4.45Å; N305-W307 HydrophobicContact CB-CZ2 3.65Å; N305-W307 PolarHBondContact O-N 3.1Å; W307-G331 PolarHBondContact NE1-O 3.23Å; W307-F332 HydrophobicContact CD2-CD1 4.11Å; W307-F332 HydrophobicContact CD2-CE1 4.32Å; W307-F332 AromaticContact CE2-CD1 3.88Å; W307-F332 HydrophobicContact CE3-CE1 4.45Å; W307-F332 HydrophobicContact CG-CD1 4.49Å; W307-F332 HydrophobicContact CH2-CE1 4.13Å; W307-F332 HydrophobicContact CZ2-CD1 4.25Å; W307-F332 AromaticContact CZ2-CE1 3.98Å; W307-F332 HydrophobicContact CZ2-CE1 3.98Å; W307-F332 HydrophobicContact CZ3-CE1 4.37Å; W307-Q335 PolarHBondContact O-N 3.46Å; W307-G336 PolarHBondContact O-N 3.1Å; W307-I345 HydrophobicContact CB-CD1 4.47Å
308	Q	95.9	Very high	95.5	Very high	79 Å²	79	44 Å²	44	37%	0.369	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	104	174.6	-63.7	-63.8	-10.8	0	0	109.4	S284 P306 T310 M313 G336	S284-Q308 PolarHBondContact O-N 3.43Å; P306-Q308 PolarHBondContact O-N 2.87Å; Q308-T310 PolarHBondContact O-N 3.5Å; Q308-M313 VanDerWaalsContact O-CG 3.29Å; Q308-M313 WeakPolarHBondContact O-CG 3.11Å; Q308-G336 VanDerWaalsContact OE1-C 3.29Å; Q308-G336 VanDerWaalsContact OE1-CA 3.28Å
309	C	95	Very high	95.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.215	C	C	.	.			trans	-83.7	64.4	-173.7	-66.1	0	0	0	0	111.9	C334 G336 V340 I345 L348 F353	C309-C334 HydrophobicContact CB-CB 3.83Å; C309-C334 WeakPolarHBondContact CB-SG 3.31Å; C309-C334 WeakPolarHBondContact SG-CA 3.2Å; C309-C334 WeakPolarHBondContact SG-CB 3.34Å; C309-C334 CovalentContact SG-SG 2.02Å; C309-C334 PolarHBondContact SG-SG 3.37Å; C309-G336 PolarHBondContact N-O 2.89Å; C309-V340 HydrophobicContact CB-CG2 3.9Å; C309-I345 VanDerWaalsContact SG-CG1 3.56Å; C309-L348 HydrophobicContact CB-CD1 4.12Å; C309-F353 HydrophobicContact CB-CE1 4.25Å
310	T	92.4	Very high	95.3	Very high	54 Å²	54	43.2 Å²	43.2	33%	0.331	21%	0.205	S	C	.	.	S	Bend	trans	-99.4	-174.2	174.2	65.3	0	0	0	0	110.8	Q308 R312 M313 F353	Q308-T310 PolarHBondContact O-N 3.5Å; T310-R312 PolarHBondContact O-N 3.06Å; T310-M313 PolarHBondContact O-N 2.86Å; T310-F353 VanDerWaalsContact O-CD1 3.26Å; T310-F353 WeakPolarHBondContact O-CD1 3.32Å
311	C	91.6	Very high	95.2	Very high	52 Å²	52	49.4 Å²	49.4	35%	0.351	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-52.3	-33.1	-178.4	-158.8	0	0	0	0	114.2	M313 K314 C355	C311-M313 PolarHBondContact O-N 3.04Å; C311-M313 VanDerWaalsContact O-N 3.1Å; C311-K314 VanDerWaalsContact O-CB 3.31Å; C311-K314 WeakPolarHBondContact O-CB 3.21Å; C311-K314 PolarHBondContact O-N 3.02Å; C311-K314 VanDerWaalsContact O-N 3.12Å; C311-C355 WeakPolarHBondContact CA-SG 3.42Å; C311-C355 HydrophobicContact CB-CB 3.88Å; C311-C355 WeakPolarHBondContact CB-SG 3.35Å; C311-C355 WeakPolarHBondContact SG-CB 3.36Å; C311-C355 CovalentContact SG-SG 2.04Å; C311-C355 PolarHBondContact SG-SG 3.08Å
312	R	91.5	Very high	95	Very high	174 Å²	174	53.1 Å²	53.1	66%	0.657	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-60.6	-21.2	176.5	-64.6	-175.9	-179.2	-174.9	0.1	113.5	T310 W315	T310-R312 PolarHBondContact O-N 3.06Å; R312-W315 PolarHBondContact O-NE1 2.76Å
313	M	94.3	Very high	94.8	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-98.7	0.1	-179.8	-65.1	-68.9	78	0	0	115.2	L286 Q308 T310 C311 W315 V316 R317 F353	L286-M313 HydrophobicContact CB-CE 4.07Å; L286-M313 WeakPolarHBondContact O-CE 3.5Å; Q308-M313 VanDerWaalsContact O-CG 3.29Å; Q308-M313 WeakPolarHBondContact O-CG 3.11Å; T310-M313 PolarHBondContact O-N 2.86Å; C311-M313 PolarHBondContact O-N 3.04Å; C311-M313 VanDerWaalsContact O-N 3.1Å; M313-W315 VanDerWaalsContact C-N 3.3Å; M313-W315 PolarHBondContact O-N 2.84Å; M313-V316 HydrophobicContact CE-CG2 3.53Å; M313-V316 WeakPolarHBondContact O-CB 3.34Å; M313-V316 PolarHBondContact O-N 2.96Å; M313-V316 VanDerWaalsContact O-N 3.13Å; M313-V316 HydrophobicContact SD-CG2 3.8Å; M313-R317 PolarHBondContact O-N 3.07Å; M313-F353 HydrophobicContact CB-CE1 4.24Å
314	K	93.4	Very high	94.6	Very high	78 Å²	78	54.3 Å²	54.3	34%	0.339	27%	0.274	S	S	.	.	H	α-helix	trans	-56.5	-43.5	174.1	179.6	178.9	169.5	179.4	0	112.2	C311 V316 R317 D318 T350	C311-K314 VanDerWaalsContact O-CB 3.31Å; C311-K314 WeakPolarHBondContact O-CB 3.21Å; C311-K314 PolarHBondContact O-N 3.02Å; C311-K314 VanDerWaalsContact O-N 3.12Å; K314-V316 VanDerWaalsContact C-N 3.27Å; K314-V316 PolarHBondContact O-N 2.95Å; K314-R317 WeakPolarHBondContact O-CB 3.25Å; K314-R317 PolarHBondContact O-N 3.04Å; K314-D318 PolarHBondContact O-N 3.07Å; K314-D318 VanDerWaalsContact O-N 3.16Å; K314-T350 HydrophobicContact CD-CG2 4.01Å; K314-T350 VanDerWaalsContact CE-CG2 3.49Å
315	W	94.6	Very high	94.2	Very high	35 Å²	35	55.4 Å²	55.4	13%	0.133	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-34.6	179.6	80.3	-97.9	0	0	0	112.2	L286 P287 Q288 V290 F291 R312 M313 R317 D318 W319	L286-W315 HydrophobicContact CB-CZ2 3.85Å; L286-W315 PolarHBondContact O-NE1 3.24Å; L286-W315 VanDerWaalsContact O-NE1 3.14Å; P287-W315 WeakPolarHBondContact O-CZ2 3.27Å; Q288-W315 HydrophobicContact CB-CD2 4.32Å; Q288-W315 HydrophobicContact CB-CG 4.11Å; Q288-W315 HydrophobicContact CG-CB 4.23Å; Q288-W315 HydrophobicContact CG-CD2 4.27Å; Q288-W315 HydrophobicContact CG-CG 4.02Å; V290-W315 HydrophobicContact CG1-CH2 4Å; V290-W315 HydrophobicContact CG1-CZ2 4.21Å; F291-W315 HydrophobicContact CD2-CH2 4.01Å; F291-W315 HydrophobicContact CE2-CH2 4.26Å; R312-W315 PolarHBondContact O-NE1 2.76Å; M313-W315 VanDerWaalsContact C-N 3.3Å; M313-W315 PolarHBondContact O-N 2.84Å; W315-R317 VanDerWaalsContact C-N 3.34Å; W315-R317 PolarHBondContact O-N 3.01Å; W315-D318 PolarHBondContact O-N 3.13Å; W315-W319 HydrophobicContact CE3-CB 4.01Å; W315-W319 HydrophobicContact CE3-CG 4.47Å; W315-W319 HydrophobicContact CZ3-CB 4.08Å; W315-W319 HydrophobicContact CZ3-CD2 4.37Å; W315-W319 HydrophobicContact CZ3-CG 4.07Å; W315-W319 WeakPolarHBondContact O-CB 3.3Å; W315-W319 PolarHBondContact O-N 3.23Å
316	V	95.9	Very high	93.9	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.4	-42	178.7	174.8	0	0	0	0	110.1	M313 K314 W319 L320 F332 I345	M313-V316 HydrophobicContact CE-CG2 3.53Å; M313-V316 WeakPolarHBondContact O-CB 3.34Å; M313-V316 PolarHBondContact O-N 2.96Å; M313-V316 VanDerWaalsContact O-N 3.13Å; M313-V316 HydrophobicContact SD-CG2 3.8Å; K314-V316 VanDerWaalsContact C-N 3.27Å; K314-V316 PolarHBondContact O-N 2.95Å; V316-W319 PolarHBondContact O-N 3.22Å; V316-L320 HydrophobicContact CG1-CD1 3.98Å; V316-L320 HydrophobicContact CG1-CG 4.25Å; V316-L320 WeakPolarHBondContact O-CB 3.4Å; V316-L320 WeakPolarHBondContact O-CG 3.42Å; V316-L320 PolarHBondContact O-N 3.29Å; V316-F332 HydrophobicContact CG1-CD1 4.01Å; V316-F332 HydrophobicContact CG1-CD2 4.22Å; V316-F332 HydrophobicContact CG1-CE1 3.69Å; V316-F332 HydrophobicContact CG1-CE2 3.91Å; V316-F332 HydrophobicContact CG1-CG 4.25Å; V316-F332 HydrophobicContact CG1-CZ 3.6Å; V316-I345 HydrophobicContact CB-CG2 4.43Å; V316-I345 HydrophobicContact CG1-CG2 4.2Å
317	R	95.1	Very high	93.7	Very high	6 Å²	6	61.5 Å²	61.5	2%	0.023	31%	0.31	C	S	.	.	H	α-helix	trans	-59.4	-50.3	173.7	176.2	-157.5	66.1	-175.7	3	111.1	M313 K314 W315 W319 L320 R321 I345 L348 T349 T350 F353	M313-R317 PolarHBondContact O-N 3.07Å; K314-R317 WeakPolarHBondContact O-CB 3.25Å; K314-R317 PolarHBondContact O-N 3.04Å; W315-R317 VanDerWaalsContact C-N 3.34Å; W315-R317 PolarHBondContact O-N 3.01Å; R317-W319 VanDerWaalsContact C-N 3.29Å; R317-W319 PolarHBondContact O-N 2.88Å; R317-L320 PolarHBondContact O-N 3.45Å; R317-R321 WeakPolarHBondContact O-CG 3.44Å; R317-R321 PolarHBondContact O-N 2.77Å; R317-R321 VanDerWaalsContact O-N 3.1Å; R317-I345 HydrophobicContact CB-CG2 3.89Å; R317-I345 WeakPolarHBondContact CG-O 3.49Å; R317-L348 WeakPolarHBondContact CD-O 3.47Å; R317-T349 PolarHBondContact NH1-O 3.13Å; R317-T350 PolarHBondContact NH1-OG1 3.26Å; R317-T350 PolarHBondContact NH2-OG1 2.94Å; R317-F353 HydrophobicContact CB-CE2 4.5Å; R317-F353 HydrophobicContact CB-CZ 4.18Å
318	D	94.2	Very high	93.5	Very high	68 Å²	68	64.5 Å²	64.5	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-62.7	-41	-176.6	-64.6	-20.9	0	0	0	110.6	K314 W315 R321 S322	K314-D318 PolarHBondContact O-N 3.07Å; K314-D318 VanDerWaalsContact O-N 3.16Å; W315-D318 PolarHBondContact O-N 3.13Å; D318-R321 PolarHBondContact O-N 3.21Å; D318-S322 PolarHBondContact O-N 3.43Å
319	W	95.3	Very high	93.5	Very high	48 Å²	48	62 Å²	62	18%	0.182	32%	0.316	C	S	.	.	H	α-helix	trans	-61	-48	171.9	178.6	79	0	0	0	112.4	F291 L300 W315 V316 R317 R321 S322 L323 V329 F332	F291-W319 HydrophobicContact CB-CZ2 4.1Å; F291-W319 AromaticContact CD2-CH2 3.86Å; F291-W319 HydrophobicContact CD2-CH2 3.86Å; F291-W319 AromaticContact CD2-CZ2 3.91Å; F291-W319 HydrophobicContact CD2-CZ2 3.91Å; F291-W319 HydrophobicContact CD2-CZ3 4.23Å; F291-W319 HydrophobicContact CE2-CH2 4.36Å; F291-W319 HydrophobicContact CE2-CZ3 4.47Å; F291-W319 HydrophobicContact CG-CZ2 4.36Å; L300-W319 HydrophobicContact CD2-CH2 3.58Å; L300-W319 HydrophobicContact CD2-CZ3 4.1Å; W315-W319 HydrophobicContact CE3-CB 4.01Å; W315-W319 HydrophobicContact CE3-CG 4.47Å; W315-W319 HydrophobicContact CZ3-CB 4.08Å; W315-W319 HydrophobicContact CZ3-CD2 4.37Å; W315-W319 HydrophobicContact CZ3-CG 4.07Å; W315-W319 WeakPolarHBondContact O-CB 3.3Å; W315-W319 PolarHBondContact O-N 3.23Å; V316-W319 PolarHBondContact O-N 3.22Å; R317-W319 VanDerWaalsContact C-N 3.29Å; R317-W319 PolarHBondContact O-N 2.88Å; W319-R321 PolarHBondContact O-N 3.29Å; W319-R321 VanDerWaalsContact O-N 3.11Å; W319-S322 PolarHBondContact O-N 2.92Å; W319-S322 PolarHBondContact O-OG 3.16Å; W319-L323 HydrophobicContact CD2-CD1 4.21Å; W319-L323 HydrophobicContact CD2-CD2 4.45Å; W319-L323 HydrophobicContact CD2-CG 4.22Å; W319-L323 HydrophobicContact CE3-CD1 3.98Å; W319-L323 HydrophobicContact CE3-CG 4.48Å; W319-L323 HydrophobicContact CH2-CD1 3.71Å; W319-L323 HydrophobicContact CH2-CD2 4.28Å; W319-L323 HydrophobicContact CH2-CG 4.42Å; W319-L323 HydrophobicContact CZ2-CD1 3.96Å; W319-L323 HydrophobicContact CZ2-CD2 3.7Å; W319-L323 HydrophobicContact CZ2-CG 4.17Å; W319-L323 HydrophobicContact CZ3-CD1 3.73Å; W319-L323 WeakPolarHBondContact O-CG 3.44Å; W319-L323 PolarHBondContact O-N 2.95Å; W319-V329 HydrophobicContact CH2-CG2 4.15Å; W319-V329 HydrophobicContact CZ3-CG2 4.32Å; W319-F332 HydrophobicContact CZ3-CE2 4.15Å
320	L	95	Very high	93.5	Very high	18 Å²	18	67.6 Å²	67.6	9%	0.094	34%	0.337	C	S	.	.	H	α-helix	trans	-59.8	-25.3	176.9	-74.9	172.4	0	0	0	113.6	V316 R317 L323 V329 F332 I345 K346	V316-L320 HydrophobicContact CG1-CD1 3.98Å; V316-L320 HydrophobicContact CG1-CG 4.25Å; V316-L320 WeakPolarHBondContact O-CB 3.4Å; V316-L320 WeakPolarHBondContact O-CG 3.42Å; V316-L320 PolarHBondContact O-N 3.29Å; R317-L320 PolarHBondContact O-N 3.45Å; L320-L323 HydrophobicContact CD2-CD1 4Å; L320-V329 HydrophobicContact CD2-CB 3.99Å; L320-V329 HydrophobicContact CD2-CG1 3.78Å; L320-V329 HydrophobicContact CD2-CG2 4.26Å; L320-F332 HydrophobicContact CD1-CB 4.19Å; L320-F332 HydrophobicContact CD1-CD2 3.86Å; L320-F332 HydrophobicContact CD1-CG 4.23Å; L320-F332 HydrophobicContact CD2-CD2 3.97Å; L320-F332 HydrophobicContact CD2-CE2 4.23Å; L320-F332 HydrophobicContact CG-CD2 4.36Å; L320-I345 HydrophobicContact CD1-CB 4.3Å; L320-I345 HydrophobicContact CD1-CG2 4.36Å; L320-K346 HydrophobicContact CB-CB 4.34Å; L320-K346 HydrophobicContact CB-CG 4.32Å; L320-K346 HydrophobicContact CD1-CB 4.23Å
321	R	94.1	Very high	93.5	Very high	130 Å²	130	65.7 Å²	65.7	49%	0.491	33%	0.328	S	S	.	.	H	α-helix	trans	-85.1	-29.7	176	-70.8	179.9	178.7	179.6	1.8	112.8	R317 D318 W319 K346 L348	R317-R321 WeakPolarHBondContact O-CG 3.44Å; R317-R321 PolarHBondContact O-N 2.77Å; R317-R321 VanDerWaalsContact O-N 3.1Å; D318-R321 PolarHBondContact O-N 3.21Å; W319-R321 PolarHBondContact O-N 3.29Å; W319-R321 VanDerWaalsContact O-N 3.11Å; R321-K346 HydrophobicContact CG-CG 4.27Å; R321-K346 PolarHBondContact NE-O 3.09Å; R321-K346 PolarHBondContact NH2-O 3.48Å; R321-L348 PolarHBondContact NH2-O 2.81Å; R321-L348 VanDerWaalsContact NH2-O 3.11Å
322	S	94.4	Very high	93.7	Very high	91 Å²	91	63.8 Å²	63.8	64%	0.636	31%	0.314	S	S	*	.	H	α-helix	trans	-84.2	-13.7	176.8	67.7	0	0	0	0	113.7	D318 W319	D318-S322 PolarHBondContact O-N 3.43Å; W319-S322 PolarHBondContact O-N 2.92Å; W319-S322 PolarHBondContact O-OG 3.16Å
323	L	92.9	Very high	93.8	Very high	40 Å²	40	60.9 Å²	60.9	21%	0.209	31%	0.309	C	S	.	.	S	Bend	trans	-59.8	138.7	-178.6	-84	175.8	0	0	0	113.7	W319 L320 V327 V329	W319-L323 HydrophobicContact CD2-CD1 4.21Å; W319-L323 HydrophobicContact CD2-CD2 4.45Å; W319-L323 HydrophobicContact CD2-CG 4.22Å; W319-L323 HydrophobicContact CE3-CD1 3.98Å; W319-L323 HydrophobicContact CE3-CG 4.48Å; W319-L323 HydrophobicContact CH2-CD1 3.71Å; W319-L323 HydrophobicContact CH2-CD2 4.28Å; W319-L323 HydrophobicContact CH2-CG 4.42Å; W319-L323 HydrophobicContact CZ2-CD1 3.96Å; W319-L323 HydrophobicContact CZ2-CD2 3.7Å; W319-L323 HydrophobicContact CZ2-CG 4.17Å; W319-L323 HydrophobicContact CZ3-CD1 3.73Å; W319-L323 WeakPolarHBondContact O-CG 3.44Å; W319-L323 PolarHBondContact O-N 2.95Å; L320-L323 HydrophobicContact CD2-CD1 4Å; L323-V327 HydrophobicContact CD1-CG1 4.46Å; L323-V327 HydrophobicContact CD2-CB 4.25Å; L323-V327 HydrophobicContact CD2-CG1 4.22Å; L323-V327 HydrophobicContact CD2-CG2 4.26Å; L323-V329 HydrophobicContact CD1-CG2 3.5Å; L323-V329 VanDerWaalsContact CD1-CG2 3.5Å
324	P	91.8	Very high	93.9	Very high	85 Å²	85	60.9 Å²	60.9	55%	0.552	31%	0.309	S	S	*	.			trans	-62.3	150.9	170	-20	31.5	0	0	0	112.6	K326 V327	P324-K326 PolarHBondContact O-N 2.89Å; P324-K326 VanDerWaalsContact O-N 3.1Å; P324-V327 HydrophobicContact CB-CG2 4.49Å; P324-V327 PolarHBondContact O-N 3.11Å
325	T	88.1	Confident	94.1	Very high	156 Å²	156	62 Å²	62	96%	0.957	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.9	179.2	52.7	0	0	0	0	114.6	V327	T325-V327 VanDerWaalsContact C-N 3.28Å; T325-V327 PolarHBondContact O-N 2.95Å
326	K	90.9	Very high	94	Very high	149 Å²	149	60.6 Å²	60.6	65%	0.648	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-27.9	175.5	-173.6	-174.5	175.8	-162.2	0	112.4	T298 P324 N328	T298-K326 HydrophobicContact CG2-CD 4.41Å; T298-K326 HydrophobicContact CG2-CG 4.42Å; P324-K326 PolarHBondContact O-N 2.89Å; P324-K326 VanDerWaalsContact O-N 3.1Å; K326-N328 PolarHBondContact O-N 2.99Å
327	V	93.2	Very high	93.8	Very high	28 Å²	28	62.4 Å²	62.4	17%	0.17	32%	0.323	C	S	.	.			trans	-86.2	112.5	-174.7	-168.6	0	0	0	0	109.8	L297 L323 P324 T325 V329	L297-V327 WeakPolarHBondContact O-CG2 3.44Å; L323-V327 HydrophobicContact CD1-CG1 4.46Å; L323-V327 HydrophobicContact CD2-CB 4.25Å; L323-V327 HydrophobicContact CD2-CG1 4.22Å; L323-V327 HydrophobicContact CD2-CG2 4.26Å; P324-V327 HydrophobicContact CB-CG2 4.49Å; P324-V327 PolarHBondContact O-N 3.11Å; T325-V327 VanDerWaalsContact C-N 3.28Å; T325-V327 PolarHBondContact O-N 2.95Å; V327-V329 HydrophobicContact CG1-CG2 3.89Å
328	N	94.3	Very high	93.7	Very high	63 Å²	63	68.7 Å²	68.7	34%	0.337	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	103.3	176.4	-175.3	7.2	0	0	0	110	T298 L300 K326 R330	T298-N328 PolarHBondContact O-N 3.13Å; L300-N328 PolarHBondContact N-O 3.02Å; K326-N328 PolarHBondContact O-N 2.99Å; N328-R330 WeakPolarHBondContact OD1-CG 3.16Å; N328-R330 PolarHBondContact OD1-NE 3.01Å
329	V	95.8	Very high	93.5	Very high	26 Å²	26	73 Å²	73	16%	0.158	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	129	175.6	-172.1	0	0	0	0	110.3	L300 W319 L320 L323 V327 F332	L300-V329 HydrophobicContact CB-CG1 4.23Å; L300-V329 HydrophobicContact CB-CG2 4.16Å; L300-V329 HydrophobicContact CD2-CG1 4.02Å; L300-V329 HydrophobicContact CD2-CG2 4.42Å; L300-V329 HydrophobicContact CG-CG1 4.25Å; L300-V329 WeakPolarHBondContact O-CA 3.43Å; W319-V329 HydrophobicContact CH2-CG2 4.15Å; W319-V329 HydrophobicContact CZ3-CG2 4.32Å; L320-V329 HydrophobicContact CD2-CB 3.99Å; L320-V329 HydrophobicContact CD2-CG1 3.78Å; L320-V329 HydrophobicContact CD2-CG2 4.26Å; L323-V329 HydrophobicContact CD1-CG2 3.5Å; L323-V329 VanDerWaalsContact CD1-CG2 3.5Å; V327-V329 HydrophobicContact CG1-CG2 3.89Å; V329-F332 HydrophobicContact CG1-CD2 3.67Å; V329-F332 HydrophobicContact CG1-CE2 3.74Å
330	R	94.4	Very high	93.5	Very high	118 Å²	118	70.9 Å²	70.9	45%	0.445	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	143.2	178.5	-59	-64.6	-177.9	176.6	10.7	111.3	L300 L301 L302 N328	L300-R330 PolarHBondContact O-N 3.26Å; L301-R330 HydrophobicContact CD2-CB 4.11Å; L301-R330 HydrophobicContact CD2-CG 4.38Å; L302-R330 PolarHBondContact N-O 2.89Å; N328-R330 WeakPolarHBondContact OD1-CG 3.16Å; N328-R330 PolarHBondContact OD1-NE 3.01Å
331	G	92	Very high	93.4	Very high	14 Å²	14	75.1 Å²	75.1	14%	0.144	38%	0.383	C	S	.	.			trans	108.5	-0.1	169.1	0	0	0	0	0	116.7	W307 M333	W307-G331 PolarHBondContact NE1-O 3.23Å; G331-M333 PolarHBondContact O-N 2.86Å
332	F	95.4	Very high	93.4	Very high	13 Å²	13	71.7 Å²	71.7	6%	0.057	39%	0.389	C	S	.	.			trans	-80.4	78.5	172.4	-77.6	-60	0	0	0	112.2	L286 L302 W307 V316 W319 L320 V329 I345	L286-F332 HydrophobicContact CD1-CE1 3.84Å; L286-F332 HydrophobicContact CD1-CZ 3.75Å; L302-F332 HydrophobicContact CD1-CD1 4.45Å; L302-F332 HydrophobicContact CD1-CD2 4.04Å; L302-F332 HydrophobicContact CD1-CE1 3.82Å; L302-F332 HydrophobicContact CD1-CE2 3.33Å; L302-F332 HydrophobicContact CD1-CZ 3.22Å; W307-F332 HydrophobicContact CD2-CD1 4.11Å; W307-F332 HydrophobicContact CD2-CE1 4.32Å; W307-F332 AromaticContact CE2-CD1 3.88Å; W307-F332 HydrophobicContact CE3-CE1 4.45Å; W307-F332 HydrophobicContact CG-CD1 4.49Å; W307-F332 HydrophobicContact CH2-CE1 4.13Å; W307-F332 HydrophobicContact CZ2-CD1 4.25Å; W307-F332 AromaticContact CZ2-CE1 3.98Å; W307-F332 HydrophobicContact CZ2-CE1 3.98Å; W307-F332 HydrophobicContact CZ3-CE1 4.37Å; V316-F332 HydrophobicContact CG1-CD1 4.01Å; V316-F332 HydrophobicContact CG1-CD2 4.22Å; V316-F332 HydrophobicContact CG1-CE1 3.69Å; V316-F332 HydrophobicContact CG1-CE2 3.91Å; V316-F332 HydrophobicContact CG1-CG 4.25Å; V316-F332 HydrophobicContact CG1-CZ 3.6Å; W319-F332 HydrophobicContact CZ3-CE2 4.15Å; L320-F332 HydrophobicContact CD1-CB 4.19Å; L320-F332 HydrophobicContact CD1-CD2 3.86Å; L320-F332 HydrophobicContact CD1-CG 4.23Å; L320-F332 HydrophobicContact CD2-CD2 3.97Å; L320-F332 HydrophobicContact CD2-CE2 4.23Å; L320-F332 HydrophobicContact CG-CD2 4.36Å; V329-F332 HydrophobicContact CG1-CD2 3.67Å; V329-F332 HydrophobicContact CG1-CE2 3.74Å; F332-I345 HydrophobicContact CB-CB 4.2Å; F332-I345 HydrophobicContact CB-CD1 3.94Å; F332-I345 HydrophobicContact CB-CG1 4.11Å; F332-I345 HydrophobicContact CD1-CD1 3.71Å; F332-I345 HydrophobicContact CG-CD1 4.18Å; F332-I345 PolarHBondContact O-N 2.85Å; F332-I345 VanDerWaalsContact O-N 3.13Å
333	M	95.6	Very high	93.3	Very high	112 Å²	112	71.3 Å²	71.3	55%	0.552	38%	0.377	S	S	*	.	B	Isolated β-bridge	trans	-119.1	131.6	171.6	-63.7	-176.7	-71	0	0	109.4	G331 Q335	G331-M333 PolarHBondContact O-N 2.86Å; M333-Q335 PolarHBondContact O-N 3.02Å
334	C	96.2	Very high	93.5	Very high	1 Å²	1	71 Å²	71	1%	0.007	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	129.9	-177.6	-60.4	0	0	0	0	111.1	C309 V340 K341 G342 M343	C309-C334 HydrophobicContact CB-CB 3.83Å; C309-C334 WeakPolarHBondContact CB-SG 3.31Å; C309-C334 WeakPolarHBondContact SG-CA 3.2Å; C309-C334 WeakPolarHBondContact SG-CB 3.34Å; C309-C334 CovalentContact SG-SG 2.02Å; C309-C334 PolarHBondContact SG-SG 3.37Å; C334-V340 HydrophobicContact CB-CG2 4.21Å; C334-V340 WeakPolarHBondContact CB-O 3.23Å; C334-K341 CarbonylContact O-C 3.55Å; C334-K341 WeakPolarHBondContact O-CA 3.37Å; C334-G342 PolarHBondContact O-N 2.78Å; C334-M343 PolarHBondContact N-O 3.15Å; C334-M343 PolarHBondContact SG-O 3.43Å
335	Q	96.4	Very high	93.6	Very high	102 Å²	102	67 Å²	67	48%	0.477	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-22.3	170.3	-170.5	63.3	12.1	0	0	111.8	P306 W307 M333 K341	P306-Q335 HydrophobicContact CB-CB 4.48Å; P306-Q335 HydrophobicContact CB-CG 4.41Å; W307-Q335 PolarHBondContact O-N 3.46Å; M333-Q335 PolarHBondContact O-N 3.02Å; Q335-K341 WeakPolarHBondContact O-CD 3.25Å; Q335-K341 WeakPolarHBondContact O-CG 3.48Å
336	G	92.8	Very high	93.9	Very high	4 Å²	4	64.7 Å²	64.7	4%	0.041	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	169.9	171.8	0	0	0	0	0	111.8	W307 Q308 C309	W307-G336 PolarHBondContact O-N 3.1Å; Q308-G336 VanDerWaalsContact OE1-C 3.29Å; Q308-G336 VanDerWaalsContact OE1-CA 3.28Å; C309-G336 PolarHBondContact N-O 2.89Å
337	P	92.8	Very high	94	Very high	38 Å²	38	63.2 Å²	63.2	25%	0.247	33%	0.331	C	S	.	.	S	Bend	cis	-67	166.7	-6.3	28.3	-34.8	0	0	0	113	K339 V340 K341	P337-K339 PolarHBondContact O-N 3.18Å; P337-V340 HydrophobicContact CG-CG2 4.05Å; P337-V340 WeakPolarHBondContact O-CG2 3.31Å; P337-V340 PolarHBondContact O-N 2.67Å; P337-K341 PolarHBondContact O-N 2.97Å
338	D	91.3	Very high	93.9	Very high	138 Å²	138	62 Å²	62	74%	0.738	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-53.8	-30.1	-172.3	-71	-43.4	0	0	0	114.1	V340 K341	D338-V340 VanDerWaalsContact C-N 3.26Å; D338-V340 PolarHBondContact O-N 3.03Å; D338-K341 PolarHBondContact O-N 3.11Å
339	K	91.4	Very high	93.6	Very high	158 Å²	158	62 Å²	62	69%	0.687	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-58.2	-34.5	177.3	-62.3	179.5	-173.6	168.6	0	113.7	P337 D354	P337-K339 PolarHBondContact O-N 3.18Å; K339-D354 IonicContact NZ-OD1 2.82Å; K339-D354 PolarHBondContact NZ-OD1 3.11Å
340	V	93.8	Very high	93	Very high	4 Å²	4	63.8 Å²	63.8	2%	0.024	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-117.2	7.4	-174.5	-64.1	0	0	0	0	112.5	C309 C334 P337 D338 G342 M343 L348 M352	C309-V340 HydrophobicContact CB-CG2 3.9Å; C334-V340 HydrophobicContact CB-CG2 4.21Å; C334-V340 WeakPolarHBondContact CB-O 3.23Å; P337-V340 HydrophobicContact CG-CG2 4.05Å; P337-V340 WeakPolarHBondContact O-CG2 3.31Å; P337-V340 PolarHBondContact O-N 2.67Å; D338-V340 VanDerWaalsContact C-N 3.26Å; D338-V340 PolarHBondContact O-N 3.03Å; V340-G342 PolarHBondContact O-N 2.83Å; V340-M343 HydrophobicContact CB-SD 4.38Å; V340-M343 HydrophobicContact CG1-SD 4.46Å; V340-M343 VanDerWaalsContact O-CB 3.31Å; V340-M343 WeakPolarHBondContact O-CB 3.09Å; V340-M343 WeakPolarHBondContact O-CG 3.48Å; V340-M343 PolarHBondContact O-N 3.29Å; V340-M343 VanDerWaalsContact O-N 3.1Å; V340-L348 HydrophobicContact CB-CD1 4.43Å; V340-L348 HydrophobicContact CB-CD2 4.1Å; V340-L348 HydrophobicContact CG1-CD2 3.89Å; V340-M352 HydrophobicContact CG1-CB 4.2Å; V340-M352 HydrophobicContact CG1-CE 4.05Å
341	K	93.9	Very high	92.4	Very high	107 Å²	107	64.3 Å²	64.3	47%	0.465	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	133.3	-178.7	-176.5	173.8	-175.6	-179.6	0	111.1	C334 Q335 P337 D338 M343	C334-K341 CarbonylContact O-C 3.55Å; C334-K341 WeakPolarHBondContact O-CA 3.37Å; Q335-K341 WeakPolarHBondContact O-CD 3.25Å; Q335-K341 WeakPolarHBondContact O-CG 3.48Å; P337-K341 PolarHBondContact O-N 2.97Å; D338-K341 PolarHBondContact O-N 3.11Å; K341-M343 VanDerWaalsContact C-N 3.26Å; K341-M343 PolarHBondContact O-N 2.83Å
342	G	93.3	Very high	91.9	Very high	59 Å²	59	66.6 Å²	66.6	61%	0.608	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	-10	-176.1	0	0	0	0	0	114.8	C334 V340	C334-G342 PolarHBondContact O-N 2.78Å; V340-G342 PolarHBondContact O-N 2.83Å
343	M	94.2	Very high	91.4	Very high	82 Å²	82	66.1 Å²	66.1	40%	0.404	35%	0.354	S	S	.	.			trans	-80.4	146.3	178.7	-58.2	-174.8	-177.9	0	0	111.4	C334 V340 K341 L348 M352	C334-M343 PolarHBondContact N-O 3.15Å; C334-M343 PolarHBondContact SG-O 3.43Å; V340-M343 HydrophobicContact CB-SD 4.38Å; V340-M343 HydrophobicContact CG1-SD 4.46Å; V340-M343 VanDerWaalsContact O-CB 3.31Å; V340-M343 WeakPolarHBondContact O-CB 3.09Å; V340-M343 WeakPolarHBondContact O-CG 3.48Å; V340-M343 PolarHBondContact O-N 3.29Å; V340-M343 VanDerWaalsContact O-N 3.1Å; K341-M343 VanDerWaalsContact C-N 3.26Å; K341-M343 PolarHBondContact O-N 2.83Å; M343-L348 HydrophobicContact CB-CD2 3.89Å; M343-L348 HydrophobicContact CG-CD2 4.47Å; M343-L348 HydrophobicContact SD-CD2 3.76Å; M343-M352 HydrophobicContact CE-CE 4.36Å; M343-M352 HydrophobicContact SD-CE 3.83Å
344	A	95.3	Very high	90.6	Very high	34 Å²	34	65.2 Å²	65.2	28%	0.281	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-76.5	135	173.2	0	0	0	0	0	110.6	K346 D347	A344-K346 PolarHBondContact O-N 2.8Å; A344-K346 VanDerWaalsContact O-N 3.16Å; A344-D347 PolarHBondContact O-N 2.85Å
345	I	95.4	Very high	89.8	Confident	0 Å²	0	67 Å²	67	0%	0	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-57.7	-36.3	-175.7	-63.4	-175.5	0	0	0	112.1	W307 C309 V316 R317 L320 F332 D347 L348 F353	W307-I345 HydrophobicContact CB-CD1 4.47Å; C309-I345 VanDerWaalsContact SG-CG1 3.56Å; V316-I345 HydrophobicContact CB-CG2 4.43Å; V316-I345 HydrophobicContact CG1-CG2 4.2Å; R317-I345 HydrophobicContact CB-CG2 3.89Å; R317-I345 WeakPolarHBondContact CG-O 3.49Å; L320-I345 HydrophobicContact CD1-CB 4.3Å; L320-I345 HydrophobicContact CD1-CG2 4.36Å; F332-I345 HydrophobicContact CB-CB 4.2Å; F332-I345 HydrophobicContact CB-CD1 3.94Å; F332-I345 HydrophobicContact CB-CG1 4.11Å; F332-I345 HydrophobicContact CD1-CD1 3.71Å; F332-I345 HydrophobicContact CG-CD1 4.18Å; F332-I345 PolarHBondContact O-N 2.85Å; F332-I345 VanDerWaalsContact O-N 3.13Å; I345-D347 PolarHBondContact O-N 2.98Å; I345-L348 PolarHBondContact O-N 2.93Å; I345-F353 HydrophobicContact CG2-CZ 4.39Å
346	K	93.1	Very high	88.7	Confident	108 Å²	108	66.1 Å²	66.1	47%	0.47	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-59.5	-30.8	180	-173.3	178.8	179.6	176.2	0	113.1	L320 R321 A344	L320-K346 HydrophobicContact CB-CB 4.34Å; L320-K346 HydrophobicContact CB-CG 4.32Å; L320-K346 HydrophobicContact CD1-CB 4.23Å; R321-K346 HydrophobicContact CG-CG 4.27Å; R321-K346 PolarHBondContact NE-O 3.09Å; R321-K346 PolarHBondContact NH2-O 3.48Å; A344-K346 PolarHBondContact O-N 2.8Å; A344-K346 VanDerWaalsContact O-N 3.16Å
347	D	92.6	Very high	86.8	Confident	119 Å²	119	73.9 Å²	73.9	64%	0.636	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-93.2	-11.2	-171.1	-58.1	-27.6	0	0	0	112.5	A344 I345	A344-D347 PolarHBondContact O-N 2.85Å; I345-D347 PolarHBondContact O-N 2.98Å
348	L	91.5	Very high	84.6	Confident	1 Å²	1	77.2 Å²	77.2	1%	0.005	44%	0.438	C	S	.	.			trans	-68.3	142.7	178.2	-64.9	179.9	0	0	0	112.6	C309 R317 R321 V340 M343 I345 M352 F353	C309-L348 HydrophobicContact CB-CD1 4.12Å; R317-L348 WeakPolarHBondContact CD-O 3.47Å; R321-L348 PolarHBondContact NH2-O 2.81Å; R321-L348 VanDerWaalsContact NH2-O 3.11Å; V340-L348 HydrophobicContact CB-CD1 4.43Å; V340-L348 HydrophobicContact CB-CD2 4.1Å; V340-L348 HydrophobicContact CG1-CD2 3.89Å; M343-L348 HydrophobicContact CB-CD2 3.89Å; M343-L348 HydrophobicContact CG-CD2 4.47Å; M343-L348 HydrophobicContact SD-CD2 3.76Å; I345-L348 PolarHBondContact O-N 2.93Å; L348-M352 HydrophobicContact CD2-CE 4.03Å; L348-M352 HydrophobicContact CD2-SD 3.87Å; L348-F353 HydrophobicContact CB-CE2 3.65Å; L348-F353 HydrophobicContact CB-CZ 3.77Å; L348-F353 HydrophobicContact CD1-CE1 3.91Å; L348-F353 HydrophobicContact CD1-CE2 4.18Å; L348-F353 HydrophobicContact CD1-CZ 3.58Å; L348-F353 HydrophobicContact CG-CZ 4.32Å
349	T	88.4	Confident	82.4	Confident	65 Å²	65	79.2 Å²	79.2	40%	0.399	44%	0.443	S	S	.	.			trans	-85	167.4	169.8	59.9	0	0	0	0	110.8	R317 D351 M352 F353	R317-T349 PolarHBondContact NH1-O 3.13Å; T349-D351 WeakPolarHBondContact CB-OD1 3.22Å; T349-D351 PolarHBondContact OG1-OD1 2.82Å; T349-M352 PolarHBondContact O-N 3.47Å; T349-M352 VanDerWaalsContact OG1-CG 3.23Å; T349-M352 WeakPolarHBondContact OG1-CG 3.1Å; T349-M352 PolarHBondContact OG1-SD 2.97Å; T349-M352 VanDerWaalsContact OG1-SD 3.36Å; T349-F353 VanDerWaalsContact O-CD2 3.25Å; T349-F353 WeakPolarHBondContact O-CD2 3.4Å; T349-F353 WeakPolarHBondContact O-CE2 3.46Å
350	T	83.2	Confident	80	Confident	63 Å²	63	78.2 Å²	78.2	39%	0.387	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-72.8	-33.3	-169.5	-48.7	0	0	0	0	112.9	K314 R317 M352 F353	K314-T350 HydrophobicContact CD-CG2 4.01Å; K314-T350 VanDerWaalsContact CE-CG2 3.49Å; R317-T350 PolarHBondContact NH1-OG1 3.26Å; R317-T350 PolarHBondContact NH2-OG1 2.94Å; T350-M352 VanDerWaalsContact C-N 3.26Å; T350-M352 PolarHBondContact O-N 2.79Å; T350-F353 PolarHBondContact O-N 3.06Å
351	D	81.8	Confident	77.3	Confident	128 Å²	128	86.1 Å²	86.1	68%	0.684	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-67.1	-21.7	175.2	54.9	-57.5	0	0	0	113.5	T349 F353	T349-D351 WeakPolarHBondContact CB-OD1 3.22Å; T349-D351 PolarHBondContact OG1-OD1 2.82Å; D351-F353 VanDerWaalsContact C-N 3.29Å
352	M	82.9	Confident	74.2	Confident	62 Å²	62	86.5 Å²	86.5	31%	0.305	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-78.4	-15.2	177.3	-63.8	176.6	94.5	0	0	113.2	V340 M343 L348 T349 T350	V340-M352 HydrophobicContact CG1-CB 4.2Å; V340-M352 HydrophobicContact CG1-CE 4.05Å; M343-M352 HydrophobicContact CE-CE 4.36Å; M343-M352 HydrophobicContact SD-CE 3.83Å; L348-M352 HydrophobicContact CD2-CE 4.03Å; L348-M352 HydrophobicContact CD2-SD 3.87Å; T349-M352 PolarHBondContact O-N 3.47Å; T349-M352 VanDerWaalsContact OG1-CG 3.23Å; T349-M352 WeakPolarHBondContact OG1-CG 3.1Å; T349-M352 PolarHBondContact OG1-SD 2.97Å; T349-M352 VanDerWaalsContact OG1-SD 3.36Å; T350-M352 VanDerWaalsContact C-N 3.26Å; T350-M352 PolarHBondContact O-N 2.79Å
353	F	83.3	Confident	71.2	Confident	3 Å²	3	88.9 Å²	88.9	1%	0.013	50%	0.498	C	S	.	.	S	Bend	trans	-86.4	116.1	167.5	-60.9	-86.3	0	0	0	106.3	C309 T310 M313 R317 I345 L348 T349 T350 D351 C355	C309-F353 HydrophobicContact CB-CE1 4.25Å; T310-F353 VanDerWaalsContact O-CD1 3.26Å; T310-F353 WeakPolarHBondContact O-CD1 3.32Å; M313-F353 HydrophobicContact CB-CE1 4.24Å; R317-F353 HydrophobicContact CB-CE2 4.5Å; R317-F353 HydrophobicContact CB-CZ 4.18Å; I345-F353 HydrophobicContact CG2-CZ 4.39Å; L348-F353 HydrophobicContact CB-CE2 3.65Å; L348-F353 HydrophobicContact CB-CZ 3.77Å; L348-F353 HydrophobicContact CD1-CE1 3.91Å; L348-F353 HydrophobicContact CD1-CE2 4.18Å; L348-F353 HydrophobicContact CD1-CZ 3.58Å; L348-F353 HydrophobicContact CG-CZ 4.32Å; T349-F353 VanDerWaalsContact O-CD2 3.25Å; T349-F353 WeakPolarHBondContact O-CD2 3.4Å; T349-F353 WeakPolarHBondContact O-CE2 3.46Å; T350-F353 PolarHBondContact O-N 3.06Å; D351-F353 VanDerWaalsContact C-N 3.29Å; F353-C355 PolarHBondContact O-N 2.83Å
354	D	79.6	Confident	68.5	Low	94 Å²	94	95.4 Å²	95.4	50%	0.503	52%	0.52	S	S	.	.			trans	-65.2	63.4	178.7	-62.9	-55.6	0	0	0	111.1	K339 A356	K339-D354 IonicContact NZ-OD1 2.82Å; K339-D354 PolarHBondContact NZ-OD1 3.11Å; D354-A356 PolarHBondContact O-N 2.57Å
355	C	79.6	Confident	65.3	Low	39 Å²	39	102.5 Å²	102.5	26%	0.264	55%	0.547	S	S	.	.			trans	-82.5	107.2	174.6	-70.3	0	0	0	0	108	C311 F353	C311-C355 WeakPolarHBondContact CA-SG 3.42Å; C311-C355 HydrophobicContact CB-CB 3.88Å; C311-C355 WeakPolarHBondContact CB-SG 3.35Å; C311-C355 WeakPolarHBondContact SG-CB 3.36Å; C311-C355 CovalentContact SG-SG 2.04Å; C311-C355 PolarHBondContact SG-SG 3.08Å; F353-C355 PolarHBondContact O-N 2.83Å
356	A	72.8	Confident	62.1	Low	83 Å²	83	108.3 Å²	108.3	69%	0.686	58%	0.583	S	S	*	*			trans	-67.6	141.3	162.3	0	0	0	0	0	108.6	D354 S358	D354-A356 PolarHBondContact O-N 2.57Å; A356-S358 PolarHBondContact O-N 3.01Å
357	D	52.4	Low	59.1	Low	166 Å²	166	108.4 Å²	108.4	89%	0.888	60%	0.597	S	S	*	*	S	Bend	trans	-66.9	25.6	-179.7	-73.4	-42.3	0	0	0	114.5
358	S	47.9	Very low	56	Low	108 Å²	108	108.8 Å²	108.8	76%	0.755	60%	0.604	S	S	*	*			trans	-124.5	51.7	-174	-127	0	0	0	0	112.6	A356	A356-S358 PolarHBondContact O-N 3.01Å
359	E	43.3	Very low	53.1	Low	181 Å²	181	115.2 Å²	115.2	85%	0.846	64%	0.643	S	S	*	*			trans	-137.1	61.8	156.3	-72.7	-165.1	178.6	0	0	109.5
360	L	43	Very low	50.2	Low	136 Å²	136	117.1 Å²	117.1	71%	0.712	66%	0.659	S	S	*	*			trans	-107.5	118.7	162.9	-96.2	146.8	0	0	0	107.7
361	F	36.3	Very low	47.6	Very low	170 Å²	170	121.3 Å²	121.3	75%	0.746	68%	0.679	S	S	*	*			trans	75.9	87.2	170.8	-52.1	-78.2	0	0	0	117.8	T363	F361-T363 VanDerWaalsContact C-N 3.31Å; F361-T363 PolarHBondContact O-N 2.85Å
362	S	29.1	Very low	45.2	Very low	115 Å²	115	122.1 Å²	122.1	80%	0.804	68%	0.683	S	S	*	*			trans	-81.7	87	138.3	61.8	0	0	0	0	107.7	Y364	S362-Y364 PolarHBondContact O-N 2.84Å
363	T	30.1	Very low	42.5	Very low	109 Å²	109	128 Å²	128	67%	0.669	72%	0.715	S	S	*	*			trans	-56.9	122.4	160.8	31.5	0	0	0	0	108.3	F361 E365	F361-T363 VanDerWaalsContact C-N 3.31Å; F361-T363 PolarHBondContact O-N 2.85Å; T363-E365 PolarHBondContact O-N 3.11Å
364	Y	36.1	Very low	40	Very low	219 Å²	219	136.7 Å²	136.7	86%	0.859	76%	0.755	S	S	*	*			trans	-55.9	108	162.5	-69.8	-91.1	0	0	0	108.3	S362 T366	S362-Y364 PolarHBondContact O-N 2.84Å; Y364-T366 VanDerWaalsContact C-N 3.28Å; Y364-T366 PolarHBondContact O-N 2.66Å
365	E	28.2	Very low	37.6	Very low	183 Å²	183	137.7 Å²	137.7	86%	0.855	77%	0.766	S	S	*	*			trans	-74	92.6	159.3	-79.5	-167.7	165.1	0	0	108	T363 S367	T363-E365 PolarHBondContact O-N 3.11Å; E365-S367 PolarHBondContact O-N 2.95Å
366	T	29.9	Very low	35.1	Very low	123 Å²	123	141.5 Å²	141.5	76%	0.755	79%	0.794	S	S	*	*			trans	-59.1	99.7	159	-5	0	0	0	0	108.3	Y364 T368	Y364-T366 VanDerWaalsContact C-N 3.28Å; Y364-T366 PolarHBondContact O-N 2.66Å; T366-T368 PolarHBondContact O-N 3.26Å
367	S	29.6	Very low	33	Very low	110 Å²	110	146.5 Å²	146.5	77%	0.769	80%	0.803	S	S	*	*			trans	-83.1	89	162.6	28.4	0	0	0	0	108.3	E365 V369	E365-S367 PolarHBondContact O-N 2.95Å; S367-V369 PolarHBondContact O-N 3.4Å
368	T	28.2	Very low	31.9	Very low	126 Å²	126	144.2 Å²	144.2	77%	0.773	80%	0.797	S	S	*	*			trans	-66.4	105.6	162	47.8	0	0	0	0	108.8	T366	T366-T368 PolarHBondContact O-N 3.26Å
369	V	30.3	Very low	30.9	Very low	137 Å²	137	148.3 Å²	148.3	83%	0.83	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-95.9	116.7	158.3	180	0	0	0	0	107.5	S367 N371	S367-V369 PolarHBondContact O-N 3.4Å; V369-N371 PolarHBondContact O-N 3.15Å
370	S	27.8	Very low	30.1	Very low	104 Å²	104	150.9 Å²	150.9	73%	0.727	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-64.1	126.8	-177.9	-164.7	0	0	0	0	111.4
371	N	28.5	Very low	29.5	Very low	151 Å²	151	149.5 Å²	149.5	81%	0.807	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-62.4	133.8	160.5	-88.9	-24.7	0	0	0	109.9	V369	V369-N371 PolarHBondContact O-N 3.15Å
372	N	30.4	Very low	28.9	Very low	146 Å²	146	146.5 Å²	146.5	78%	0.781	81%	0.806	S	S	*	*			trans	-166.7	104.6	146.6	-91.5	-26.9	0	0	0	108.8
373	L	26.8	Very low	28.9	Very low	186 Å²	186	150.8 Å²	150.8	97%	0.974	81%	0.81	S	S	*	*			trans	-176.4	143.4	135.2	-96.1	146.1	0	0	0	111.4
374	H	29.9	Very low	28.8	Very low	185 Å²	185	151.1 Å²	151.1	86%	0.856	81%	0.812	S	S	*	*			trans	-77.5	172.1	-162.1	-123.4	-14.8	0	0	0	114.6
375	P	28.9	Very low	28.4	Very low	114 Å²	114	147.3 Å²	147.3	74%	0.74	81%	0.811	S	S	*	*			trans	-86.4	145.5	-160.5	36.4	-36.8	0	0	0	113.4
376	S	26.7	Very low	28.4	Very low	119 Å²	119	149.5 Å²	149.5	83%	0.832	81%	0.812	S	S	*	*			trans	-127.1	136.1	162.8	53.2	0	0	0	0	110.6
377	Q	29.1	Very low	28.3	Very low	189 Å²	189	155.3 Å²	155.3	88%	0.883	82%	0.82	S	S	*	*			trans	-60.5	158.2	-173.1	-77.2	169	-65.4	0	0	114.7
378	P	29.3	Very low	28.3	Very low	118 Å²	118	156.1 Å²	156.1	77%	0.766	82%	0.823	S	S	*	*			trans	-81.4	128.2	175.7	32.5	-30.4	0	0	0	111.2
379	Q	27.1	Very low	28.3	Very low	193 Å²	193	156.8 Å²	156.8	90%	0.902	83%	0.826	S	S	*	*			trans	-126.1	115.9	169	-135.9	176.8	7.4	0	0	109.2
380	W	27.8	Very low	28.2	Very low	236 Å²	236	156.8 Å²	156.8	89%	0.894	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-77.2	136.5	177.2	-73.9	75	0	0	0	110.9
381	P	28.6	Very low	28.3	Very low	107 Å²	107	161.5 Å²	161.5	70%	0.695	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-83.7	127.1	165.2	28.5	-26.4	0	0	0	111.2
382	S	25.3	Very low	28.3	Very low	107 Å²	107	157.5 Å²	157.5	75%	0.748	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-69.2	127.4	176.9	48.3	0	0	0	0	112.6	V384	S382-V384 PolarHBondContact O-N 2.87Å
383	F	28.3	Very low	28.2	Very low	204 Å²	204	156.6 Å²	156.6	90%	0.895	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-77.9	116.6	168.8	-68.7	-86.5	0	0	0	110.5
384	V	27.3	Very low	28.4	Very low	116 Å²	116	155.4 Å²	155.4	70%	0.703	83%	0.825	S	S	*	*			trans	-99.9	111.1	168.6	177.3	0	0	0	0	108.2	S382 R386	S382-V384 PolarHBondContact O-N 2.87Å; V384-R386 PolarHBondContact O-N 2.86Å
385	T	28.1	Very low	28.8	Very low	139 Å²	139	154.4 Å²	154.4	85%	0.853	82%	0.824	S	S	*	*			trans	-69.1	116.7	170.3	39.9	0	0	0	0	110.9
386	R	28	Very low	29.2	Very low	229 Å²	229	154.3 Å²	154.3	86%	0.864	83%	0.827	S	S	*	*			trans	-114.5	123.7	159.3	-74.7	-168.9	-176.9	-155	2.1	109.5	V384	V384-R386 PolarHBondContact O-N 2.86Å
387	R	29	Very low	29.5	Very low	245 Å²	245	156.6 Å²	156.6	93%	0.925	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-67.2	134.7	172.7	-68.8	178.3	178.7	-179.1	-1.4	110.2
388	P	29	Very low	29.6	Very low	128 Å²	128	155 Å²	155	83%	0.831	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-85.8	142	165.5	2.5	15.8	0	0	0	111.5
389	V	27.5	Very low	29.8	Very low	139 Å²	139	158 Å²	158	84%	0.842	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-81.9	141.4	-179.6	170.7	0	0	0	0	110.4
390	V	29.9	Very low	30.1	Very low	138 Å²	138	157.2 Å²	157.2	84%	0.836	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.1	129.4	176.7	177.5	0	0	0	0	111.2
391	K	28.2	Very low	30.3	Very low	202 Å²	202	149.8 Å²	149.8	88%	0.878	80%	0.796	S	S	*	*			trans	-134.2	135.5	157	-84.3	-173	175.8	-178	0	108.7
392	G	29.3	Very low	30.5	Very low	68 Å²	68	151.2 Å²	151.2	70%	0.701	80%	0.803	S	S	*	*			trans	-72.1	175.5	-170.6	0	0	0	0	0	115.7
393	P	28.8	Very low	31	Very low	127 Å²	127	151 Å²	151	83%	0.825	80%	0.798	S	S	*	*			trans	-86.1	138.9	-166.6	32.8	-32.5	0	0	0	113.5
394	D	29.5	Very low	31.1	Very low	161 Å²	161	147 Å²	147	86%	0.861	80%	0.795	S	S	*	*			trans	-99.4	120.3	169.4	-109.6	-25	0	0	0	109.6	S396	D394-S396 PolarHBondContact O-N 3.29Å
395	I	39.3	Very low	31.4	Very low	163 Å²	163	147.8 Å²	147.8	84%	0.836	80%	0.8	S	S	*	*	S	Bend	trans	-86.5	98.3	-180	-62.3	167.2	0	0	0	108.5
396	S	37.2	Very low	32	Very low	113 Å²	113	147.8 Å²	147.8	79%	0.79	81%	0.806	S	S	*	*			trans	160	64.4	153.5	50.6	0	0	0	0	113.6	D394	D394-S396 PolarHBondContact O-N 3.29Å
397	K	33.2	Very low	32.7	Very low	166 Å²	166	139.4 Å²	139.4	72%	0.722	79%	0.791	S	S	*	*			trans	-131.5	125.5	170.8	-77.8	-175.7	177.9	171.5	0	113.6	Y399	K397-Y399 WeakPolarHBondContact O-CD2 3.34Å
398	N	30.8	Very low	33.6	Very low	155 Å²	155	139.3 Å²	139.3	83%	0.829	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-71.9	123	155.9	-73.7	-22.1	0	0	0	107.7
399	Y	32.8	Very low	34.9	Very low	181 Å²	181	138.8 Å²	138.8	71%	0.71	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-84.8	121.1	178.9	-66.3	-88.8	0	0	0	110.3	K397	K397-Y399 WeakPolarHBondContact O-CD2 3.34Å
400	H	34.1	Very low	36.7	Very low	177 Å²	177	134 Å²	134	82%	0.819	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-100.7	135	165.8	-75.4	-65.6	0	0	0	109.8	T402	H400-T402 PolarHBondContact O-N 2.96Å
401	S	32.1	Very low	38.9	Very low	80 Å²	80	127.6 Å²	127.6	56%	0.559	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-50.4	121.6	-178.7	165.8	0	0	0	0	113.4	T403 K409	S401-T403 PolarHBondContact O-N 3.23Å; S401-K409 PolarHBondContact OG-NZ 2.92Å
402	T	33.8	Very low	41.3	Very low	137 Å²	137	122 Å²	122	84%	0.84	69%	0.688	S	S	*	*			trans	-85.8	100.4	166	45.6	0	0	0	0	110.2	H400	H400-T402 PolarHBondContact O-N 2.96Å
403	T	34.7	Very low	44	Very low	104 Å²	104	119.5 Å²	119.5	64%	0.638	66%	0.659	S	S	*	*			trans	-162.9	113.2	154.5	17.3	0	0	0	0	107.4	S401	S401-T403 PolarHBondContact O-N 3.23Å
404	S	30.5	Very low	46.6	Very low	118 Å²	118	116.3 Å²	116.3	83%	0.825	64%	0.64	S	S	*	*			trans	-88.6	106.4	169.8	65.1	0	0	0	0	109.1
405	T	33.7	Very low	49.3	Very low	134 Å²	134	110.3 Å²	110.3	82%	0.822	61%	0.608	S	S	*	*			trans	-159.2	132.5	150.1	-5.3	0	0	0	0	107.7	G407	T405-G407 PolarHBondContact O-N 3.26Å
406	S	41.3	Very low	51.4	Low	138 Å²	138	110.2 Å²	110.2	97%	0.965	60%	0.602	S	S	*	*			trans	-67.4	94.9	-172.6	175.6	0	0	0	0	111.2
407	G	42.3	Very low	53.2	Low	54 Å²	54	107.7 Å²	107.7	56%	0.557	59%	0.585	S	S	*	*	S	Bend	trans	-149.8	139.5	168.1	0	0	0	0	0	109.1	T405 K409	T405-G407 PolarHBondContact O-N 3.26Å; G407-K409 PolarHBondContact O-N 3.11Å
408	R	47.3	Very low	55	Low	242 Å²	242	103.2 Å²	103.2	91%	0.913	57%	0.574	S	S	*	*			trans	-59.8	111.8	178	-84.9	177.8	171	170.8	-3.2	108.9	I410	R408-I410 PolarHBondContact O-N 3.05Å
409	K	56.1	Low	57.1	Low	118 Å²	118	98 Å²	98	51%	0.513	55%	0.549	S	S	.	.			trans	-63.5	116.8	177.7	-69.8	-173	178.3	-173.9	0	109.9	S401 G407	S401-K409 PolarHBondContact OG-NZ 2.92Å; G407-K409 PolarHBondContact O-N 3.11Å
410	I	66.3	Low	59.3	Low	38 Å²	38	90.6 Å²	90.6	20%	0.195	53%	0.526	C	S	.	.	S	Bend	trans	-72.6	-38.4	-174.4	-62.6	152.6	0	0	0	111.2	R408 V429 S430 M433 L489 D491	R408-I410 PolarHBondContact O-N 3.05Å; I410-V429 HydrophobicContact CG2-CG1 4.5Å; I410-V429 WeakPolarHBondContact O-CA 3.12Å; I410-S430 WeakPolarHBondContact CA-OG 3.31Å; I410-S430 PolarHBondContact O-N 3Å; I410-S430 PolarHBondContact O-OG 3.15Å; I410-S430 VanDerWaalsContact O-OG 3.07Å; I410-M433 HydrophobicContact CG2-CE 3.24Å; I410-L489 HydrophobicContact CD1-CD2 3.45Å; I410-L489 VanDerWaalsContact CD1-CD2 3.45Å; I410-L489 HydrophobicContact CG1-CD2 4.17Å; I410-L489 HydrophobicContact CG2-CD2 4.3Å; I410-D491 HydrophobicContact CD1-CB 4.45Å
411	I	74.9	Confident	61.5	Low	4 Å²	4	86 Å²	86	2%	0.021	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.3	-179.9	-56.9	166.6	0	0	0	109.1	I413 W427 R428 V429 M433 L436 M479 P481 V495	I411-I413 HydrophobicContact CG2-CG1 4Å; I411-W427 HydrophobicContact CG2-CB 4.47Å; I411-R428 WeakPolarHBondContact CA-O 3Å; I411-V429 HydrophobicContact CG1-CG1 4.19Å; I411-V429 HydrophobicContact CG1-CG2 4.46Å; I411-M433 HydrophobicContact CD1-SD 4.47Å; I411-L436 HydrophobicContact CD1-CD2 3.6Å; I411-L436 HydrophobicContact CG1-CD2 4.39Å; I411-M479 HydrophobicContact CG2-SD 4.33Å; I411-P481 HydrophobicContact CD1-CB 4.35Å; I411-P481 HydrophobicContact CD1-CG 4.39Å; I411-V495 HydrophobicContact CB-CG2 4.27Å
412	T	80.1	Confident	64	Low	83 Å²	83	82.6 Å²	82.6	51%	0.509	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120.8	170.4	-55.9	0	0	0	0	109.2	W427 R428	T412-W427 CarbonylContact O-C 3.4Å; T412-W427 WeakPolarHBondContact O-CA 3.35Å; T412-W427 WeakPolarHBondContact O-CB 3.37Å; T412-R428 PolarHBondContact N-O 3Å; T412-R428 PolarHBondContact O-N 3.27Å
413	I	85.9	Confident	66.4	Low	17 Å²	17	76.1 Å²	76.1	9%	0.087	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.5	-178.9	-50	171.9	0	0	0	109.6	I411 V415 I425 W427 M479 V495 I497	I411-I413 HydrophobicContact CG2-CG1 4Å; I413-V415 HydrophobicContact CG2-CG2 4.21Å; I413-I425 HydrophobicContact CG2-CG2 3.87Å; I413-W427 HydrophobicContact CG1-CB 4.38Å; I413-M479 HydrophobicContact CD1-CB 3.44Å; I413-M479 VanDerWaalsContact CD1-CB 3.44Å; I413-M479 HydrophobicContact CG1-CB 4.28Å; I413-V495 HydrophobicContact CD1-CB 3.99Å; I413-V495 HydrophobicContact CD1-CG1 3.84Å; I413-V495 WeakPolarHBondContact CD1-O 3.44Å; I413-V495 HydrophobicContact CG1-CG1 4.03Å; I413-I497 HydrophobicContact CG2-CG2 4.02Å
414	S	83.1	Confident	68.9	Low	60 Å²	60	74 Å²	74	42%	0.42	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141.6	171.7	47.1	0	0	0	0	110.6	S426	S414-S426 PolarHBondContact N-O 3.19Å; S414-S426 PolarHBondContact O-N 2.02Å; S414-S426 PolarHBondContact OG-O 2.68Å; S414-S426 VanDerWaalsContact OG-O 3.11Å; S414-S426 PolarHBondContact OG-OG 2.85Å
415	V	86.3	Confident	71.7	Confident	34 Å²	34	68.4 Å²	68.4	21%	0.206	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.7	-174.8	-177.3	0	0	0	0	110.4	I413 I423 H424 I425 I477 I497 T499	I413-V415 HydrophobicContact CG2-CG2 4.21Å; V415-I423 HydrophobicContact CG1-CG2 3.14Å; V415-H424 WeakPolarHBondContact CA-O 3.49Å; V415-I425 HydrophobicContact CG2-CG1 4.31Å; V415-I425 HydrophobicContact CG2-CG2 4.26Å; V415-I477 HydrophobicContact CG1-CD1 4.03Å; V415-I477 HydrophobicContact CG2-CD1 4.07Å; V415-I497 HydrophobicContact CG2-CD1 4.39Å; V415-I497 HydrophobicContact CG2-CG2 3.47Å; V415-I497 VanDerWaalsContact CG2-CG2 3.47Å; V415-T499 HydrophobicContact CG1-CG2 3.8Å
416	K	82.3	Confident	74.2	Confident	161 Å²	161	63.9 Å²	63.9	70%	0.7	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.6	120.7	176.5	-170.2	179	-178.8	-176.8	0	110	S418 H424	K416-S418 PolarHBondContact O-N 3.22Å; K416-H424 PolarHBondContact N-O 2.79Å; K416-H424 PolarHBondContact O-N 3.1Å
417	S	76.4	Confident	76.5	Confident	61 Å²	61	57.6 Å²	57.6	43%	0.427	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	119.7	171	59.1	0	0	0	0	109.4	E500	S417-E500 WeakPolarHBondContact CB-O 3.47Å
418	S	69.2	Low	78.4	Confident	72 Å²	72	64.9 Å²	64.9	50%	0.503	33%	0.327	S	S	.	.			trans	-97.7	-33.9	-175.8	64.6	0	0	0	0	113	K416 A422	K416-S418 PolarHBondContact O-N 3.22Å; S418-A422 PolarHBondContact N-O 3.11Å; S418-A422 WeakPolarHBondContact OG-CB 3.25Å; S418-A422 PolarHBondContact OG-O 3.33Å
419	S	76.8	Confident	79.8	Confident	44 Å²	44	55.4 Å²	55.4	31%	0.308	30%	0.296	S	S	.	.	S	Bend	trans	-150.9	-173.4	178.9	63.9	0	0	0	0	110.7	D421 A422 G502	S419-D421 WeakPolarHBondContact CB-OD1 3.19Å; S419-D421 PolarHBondContact O-N 3.37Å; S419-D421 PolarHBondContact OG-N 3.24Å; S419-D421 PolarHBondContact OG-OD1 3.13Å; S419-A422 PolarHBondContact N-O 3.27Å; S419-A422 VanDerWaalsContact OG-CB 3.25Å; S419-A422 WeakPolarHBondContact OG-CB 3.45Å; S419-A422 PolarHBondContact OG-N 3.12Å; S419-G502 PolarHBondContact O-N 3.36Å
420	A	77.8	Confident	80.4	Confident	26 Å²	26	53.6 Å²	53.6	22%	0.215	30%	0.298	C	S	.	.	S	Bend	trans	-68.2	-17.3	174.4	0	0	0	0	0	112.9	P471 G502	A420-P471 HydrophobicContact CB-CB 4.11Å; A420-P471 WeakPolarHBondContact O-CA 3.28Å; A420-P471 WeakPolarHBondContact O-CB 3.21Å; A420-G502 VanDerWaalsContact CA-O 3.32Å; A420-G502 WeakPolarHBondContact CA-O 3.4Å; A420-G502 WeakPolarHBondContact CB-O 3.19Å
421	D	81.6	Confident	80.5	Confident	82 Å²	82	56.2 Å²	56.2	44%	0.439	31%	0.31	S	S	.	.	S	Bend	trans	-130.7	3.9	-172.4	64.6	-27.8	0	0	0	114.1	S419 T467 A468 L469	S419-D421 WeakPolarHBondContact CB-OD1 3.19Å; S419-D421 PolarHBondContact O-N 3.37Å; S419-D421 PolarHBondContact OG-N 3.24Å; S419-D421 PolarHBondContact OG-OD1 3.13Å; D421-T467 CarbonylContact O-C 2.93Å; D421-A468 PolarHBondContact O-N 2.82Å; D421-L469 WeakPolarHBondContact CA-O 3.37Å; D421-L469 WeakPolarHBondContact CB-O 3.36Å; D421-L469 WeakPolarHBondContact O-CB 3.3Å; D421-L469 PolarHBondContact O-N 2.93Å
422	A	82.7	Confident	80.1	Confident	8 Å²	8	62.6 Å²	62.6	7%	0.066	35%	0.352	C	S	.	.			trans	-141.3	138.6	-176.9	0	0	0	0	0	114.3	S418 S419 L465 L466 T467	S418-A422 PolarHBondContact N-O 3.11Å; S418-A422 WeakPolarHBondContact OG-CB 3.25Å; S418-A422 PolarHBondContact OG-O 3.33Å; S419-A422 PolarHBondContact N-O 3.27Å; S419-A422 VanDerWaalsContact OG-CB 3.25Å; S419-A422 WeakPolarHBondContact OG-CB 3.45Å; S419-A422 PolarHBondContact OG-N 3.12Å; A422-L465 HydrophobicContact CB-CD1 4.31Å; A422-L466 CarbonylContact C-O 3.52Å; A422-L466 WeakPolarHBondContact CA-O 3.36Å; A422-L466 VanDerWaalsContact CB-O 3.26Å; A422-L466 WeakPolarHBondContact CB-O 3.46Å; A422-T467 HydrophobicContact CB-CG2 4.36Å
423	I	85.9	Confident	79.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.8	-179.8	-66.2	177.2	0	0	0	109.4	V415 I425 L466 L469 Y475 I477 T499 T501	V415-I423 HydrophobicContact CG1-CG2 3.14Å; I423-I425 HydrophobicContact CG2-CG1 4.27Å; I423-L466 HydrophobicContact CB-CB 4.35Å; I423-L466 PolarHBondContact N-O 2.68Å; I423-L466 PolarHBondContact O-N 3.08Å; I423-L469 HydrophobicContact CB-CD1 3.87Å; I423-L469 HydrophobicContact CD1-CD1 3.51Å; I423-L469 HydrophobicContact CG1-CD1 3.53Å; I423-Y475 HydrophobicContact CD1-CD2 4.1Å; I423-I477 HydrophobicContact CG2-CD1 4.07Å; I423-T499 HydrophobicContact CD1-CG2 3.7Å; I423-T499 HydrophobicContact CG2-CG2 4.33Å; I423-T501 HydrophobicContact CD1-CG2 3.76Å; I423-T501 HydrophobicContact CG1-CG2 3.94Å
424	H	85.8	Confident	78.8	Confident	61 Å²	61	63.4 Å²	63.4	28%	0.282	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	122.8	175.7	-169.4	-86.4	0	0	0	110.4	V415 K416 E463 L465	V415-H424 WeakPolarHBondContact CA-O 3.49Å; K416-H424 PolarHBondContact N-O 2.79Å; K416-H424 PolarHBondContact O-N 3.1Å; H424-E463 IonicContact CE1-OE2 2.84Å; H424-E463 IonicContact NE2-OE2 3.73Å; H424-L465 HydrophobicContact CB-CD1 4.23Å
425	I	90.1	Very high	78.6	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.1	180	-52.9	166	0	0	0	108	I413 V415 I423 W427 L438 E463 Y464 L466 I477	I413-I425 HydrophobicContact CG2-CG2 3.87Å; V415-I425 HydrophobicContact CG2-CG1 4.31Å; V415-I425 HydrophobicContact CG2-CG2 4.26Å; I423-I425 HydrophobicContact CG2-CG1 4.27Å; I425-W427 HydrophobicContact CG2-CE3 4.07Å; I425-W427 HydrophobicContact CG2-CZ3 4.32Å; I425-L438 HydrophobicContact CD1-CD1 4.24Å; I425-L438 HydrophobicContact CD1-CD2 4.01Å; I425-E463 CarbonylContact O-C 3.58Å; I425-E463 WeakPolarHBondContact O-CA 3.22Å; I425-Y464 PolarHBondContact N-O 3.29Å; I425-Y464 PolarHBondContact O-N 3.38Å; I425-L466 HydrophobicContact CD1-CD1 3.59Å; I425-L466 HydrophobicContact CD1-CD2 4.29Å; I425-L466 HydrophobicContact CD1-CG 3.62Å; I425-L466 HydrophobicContact CG1-CD1 4.49Å; I425-L466 HydrophobicContact CG1-CG 4.48Å; I425-I477 HydrophobicContact CD1-CD1 3.93Å; I425-I477 HydrophobicContact CD1-CG2 3.79Å; I425-I477 HydrophobicContact CG1-CD1 4.06Å
426	S	86.5	Confident	78.5	Confident	38 Å²	38	59.9 Å²	59.9	27%	0.266	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	149.1	169.8	56.1	0	0	0	0	110.7	S414 T462	S414-S426 PolarHBondContact N-O 3.19Å; S414-S426 PolarHBondContact O-N 2.02Å; S414-S426 PolarHBondContact OG-O 2.68Å; S414-S426 VanDerWaalsContact OG-O 3.11Å; S414-S426 PolarHBondContact OG-OG 2.85Å; S426-T462 CarbonylContact C-O 3.44Å; S426-T462 WeakPolarHBondContact CA-O 3.35Å
427	W	89.2	Confident	78.7	Confident	6 Å²	6	56.6 Å²	56.6	2%	0.023	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	161.3	-179.4	61.4	91	0	0	0	112.4	I411 T412 I413 I425 V457 R461 T462 E463 M479	I411-W427 HydrophobicContact CG2-CB 4.47Å; T412-W427 CarbonylContact O-C 3.4Å; T412-W427 WeakPolarHBondContact O-CA 3.35Å; T412-W427 WeakPolarHBondContact O-CB 3.37Å; I413-W427 HydrophobicContact CG1-CB 4.38Å; I425-W427 HydrophobicContact CG2-CE3 4.07Å; I425-W427 HydrophobicContact CG2-CZ3 4.32Å; W427-V457 HydrophobicContact CH2-CB 4.5Å; W427-V457 HydrophobicContact CH2-CG1 3.8Å; W427-V457 HydrophobicContact CH2-CG2 4.47Å; W427-V457 HydrophobicContact CZ2-CB 4.38Å; W427-V457 HydrophobicContact CZ2-CG1 3.68Å; W427-R461 VanDerWaalsContact CE2-O 3.26Å; W427-R461 HydrophobicContact CZ2-CB 4.25Å; W427-R461 WeakPolarHBondContact CZ2-O 3.26Å; W427-R461 PolarHBondContact NE1-O 3.34Å; W427-R461 VanDerWaalsContact NE1-O 3.08Å; W427-T462 PolarHBondContact N-O 3.37Å; W427-E463 WeakPolarHBondContact CH2-O 3.43Å; W427-E463 VanDerWaalsContact CZ3-C 3.5Å; W427-M479 HydrophobicContact CB-SD 4.27Å; W427-M479 HydrophobicContact CD2-CE 3.57Å; W427-M479 HydrophobicContact CD2-SD 3.78Å; W427-M479 VanDerWaalsContact CE2-CE 3.49Å; W427-M479 HydrophobicContact CE3-CE 3.79Å; W427-M479 HydrophobicContact CE3-SD 4.24Å; W427-M479 HydrophobicContact CG-CE 4.19Å; W427-M479 HydrophobicContact CG-SD 3.77Å; W427-M479 HydrophobicContact CH2-CE 3.91Å; W427-M479 HydrophobicContact CZ2-CE 3.66Å; W427-M479 HydrophobicContact CZ3-CE 3.96Å
428	R	81.4	Confident	79.3	Confident	207 Å²	207	53.7 Å²	53.7	78%	0.781	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.2	172.3	-65.1	-175.5	179.3	173.2	-0.3	109.4	I411 T412	I411-R428 WeakPolarHBondContact CA-O 3Å; T412-R428 PolarHBondContact N-O 3Å; T412-R428 PolarHBondContact O-N 3.27Å
429	V	78.6	Confident	80.2	Confident	43 Å²	43	51.1 Å²	51.1	26%	0.261	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.8	175.2	-163.2	0	0	0	0	108.6	I410 I411 Q431 M433 L436	I410-V429 HydrophobicContact CG2-CG1 4.5Å; I410-V429 WeakPolarHBondContact O-CA 3.12Å; I411-V429 HydrophobicContact CG1-CG1 4.19Å; I411-V429 HydrophobicContact CG1-CG2 4.46Å; V429-Q431 VanDerWaalsContact C-N 3.32Å; V429-Q431 WeakPolarHBondContact CG1-O 3.5Å; V429-M433 HydrophobicContact CG1-CE 3.68Å; V429-M433 HydrophobicContact CG1-CG 4Å; V429-M433 HydrophobicContact CG1-SD 3.59Å; V429-M433 VanDerWaalsContact CG1-SD 3.59Å; V429-L436 HydrophobicContact CG2-CD1 4Å
430	S	68.6	Low	80.7	Confident	80 Å²	80	51.2 Å²	51.2	56%	0.559	27%	0.272	S	S	*	.	S	Bend	trans	-82.4	-9	179.8	56.5	0	0	0	0	114	I410	I410-S430 WeakPolarHBondContact CA-OG 3.31Å; I410-S430 PolarHBondContact O-N 3Å; I410-S430 PolarHBondContact O-OG 3.15Å; I410-S430 VanDerWaalsContact O-OG 3.07Å
431	Q	68.3	Low	81.1	Confident	94 Å²	94	52.2 Å²	52.2	44%	0.439	27%	0.274	S	S	.	.	S	Bend	trans	-137.2	146.7	178	-66.2	178.8	0.1	0	0	109.8	V429 M433	V429-Q431 VanDerWaalsContact C-N 3.32Å; V429-Q431 WeakPolarHBondContact CG1-O 3.5Å; Q431-M433 PolarHBondContact O-N 3Å
432	P	65.1	Low	81.2	Confident	138 Å²	138	50.6 Å²	50.6	90%	0.896	26%	0.262	S	S	*	.			trans	-66.4	127.4	177	26.7	-32.2	0	0	0	110.3
433	M	68.1	Low	80.7	Confident	34 Å²	34	53 Å²	53	17%	0.167	27%	0.274	C	S	.	.			trans	-121.9	153.5	178.8	-66.8	-178.7	175.6	0	0	109.7	I410 I411 V429 Q431 L436 G459 P481	I410-M433 HydrophobicContact CG2-CE 3.24Å; I411-M433 HydrophobicContact CD1-SD 4.47Å; V429-M433 HydrophobicContact CG1-CE 3.68Å; V429-M433 HydrophobicContact CG1-CG 4Å; V429-M433 HydrophobicContact CG1-SD 3.59Å; V429-M433 VanDerWaalsContact CG1-SD 3.59Å; Q431-M433 PolarHBondContact O-N 3Å; M433-L436 HydrophobicContact SD-CD2 3.58Å; M433-L436 VanDerWaalsContact SD-CD2 3.58Å; M433-G459 VanDerWaalsContact O-CA 3.31Å; M433-G459 WeakPolarHBondContact O-CA 3.38Å; M433-P481 HydrophobicContact CE-CB 3.73Å; M433-P481 HydrophobicContact CE-CG 4.46Å; M433-P481 HydrophobicContact SD-CB 3.61Å
434	T	70.9	Confident	79.6	Confident	83 Å²	83	56.6 Å²	56.6	51%	0.509	31%	0.311	S	S	.	.	S	Bend	trans	-87.2	-35.7	179.4	52.6	0	0	0	0	111.8	G459 T484	T434-G459 PolarHBondContact O-N 2.81Å; T434-T484 HydrophobicContact CG2-CG2 4.48Å; T434-T484 WeakPolarHBondContact OG1-CG2 3.46Å; T434-T484 PolarHBondContact OG1-OG1 2.94Å
435	A	79.8	Confident	78	Confident	20 Å²	20	59.8 Å²	59.8	17%	0.165	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	151.5	177.2	0	0	0	0	0	112.6	I456 V457 M482	A435-I456 HydrophobicContact CB-CG2 3.98Å; A435-V457 CarbonylContact C-O 3.49Å; A435-V457 WeakPolarHBondContact CA-O 3.5Å; A435-M482 HydrophobicContact CB-CB 4.31Å; A435-M482 HydrophobicContact CB-SD 4.43Å; A435-M482 PolarHBondContact O-N 2.86Å
436	L	84.1	Confident	75.9	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	135.1	176.7	-67	161.7	0	0	0	108.6	I411 V429 M433 V457 M479 P481	I411-L436 HydrophobicContact CD1-CD2 3.6Å; I411-L436 HydrophobicContact CG1-CD2 4.39Å; V429-L436 HydrophobicContact CG2-CD1 4Å; M433-L436 HydrophobicContact SD-CD2 3.58Å; M433-L436 VanDerWaalsContact SD-CD2 3.58Å; L436-V457 PolarHBondContact N-O 2.99Å; L436-V457 PolarHBondContact O-N 3.19Å; L436-M479 HydrophobicContact CB-CE 3.8Å; L436-M479 HydrophobicContact CB-CG 4.16Å; L436-M479 HydrophobicContact CB-SD 4.3Å; L436-M479 HydrophobicContact CD1-CE 3.91Å; L436-M479 HydrophobicContact CD1-SD 4.05Å; L436-M479 HydrophobicContact CD2-CG 4.46Å; L436-M479 HydrophobicContact CG-CE 4.44Å; L436-P481 HydrophobicContact CD2-CB 4.45Å
437	R	86.6	Confident	73.8	Confident	92 Å²	92	68.7 Å²	68.7	35%	0.347	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	121.6	172.3	-173.8	171.4	66.7	143.1	-6.3	109.6	E454 M479 V480 M482	R437-E454 WeakPolarHBondContact CD-OE2 3.28Å; R437-E454 IonicContact CZ-OE2 3.76Å; R437-E454 IonicContact NE-OE2 3.29Å; R437-E454 IonicContact NH1-OE1 3.46Å; R437-E454 PolarHBondContact NH1-OE1 3.07Å; R437-E454 IonicContact NH1-OE2 3.75Å; R437-E454 PolarHBondContact NH1-OE2 2.81Å; R437-M479 CarbonylContact O-C 3.29Å; R437-M479 VanDerWaalsContact O-CA 3.28Å; R437-M479 WeakPolarHBondContact O-CA 3.48Å; R437-V480 PolarHBondContact N-O 2.76Å; R437-V480 PolarHBondContact O-N 3.11Å; R437-M482 HydrophobicContact CB-CG 4.14Å; R437-M482 HydrophobicContact CB-SD 4.17Å
438	L	88.9	Confident	71.6	Confident	0 Å²	0	72 Å²	72	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.2	177.3	179	66	0	0	0	109.6	I425 E454 T455 V457 Y464 I477 M479	I425-L438 HydrophobicContact CD1-CD1 4.24Å; I425-L438 HydrophobicContact CD1-CD2 4.01Å; L438-E454 CarbonylContact O-C 3.11Å; L438-E454 WeakPolarHBondContact O-CA 3.49Å; L438-T455 HydrophobicContact CB-CG2 4.04Å; L438-T455 HydrophobicContact CD2-CG2 4.24Å; L438-T455 HydrophobicContact CG-CG2 4.49Å; L438-T455 PolarHBondContact N-O 3.14Å; L438-T455 PolarHBondContact O-N 2.74Å; L438-V457 HydrophobicContact CB-CG2 4.05Å; L438-V457 HydrophobicContact CD2-CG2 4.36Å; L438-Y464 HydrophobicContact CD2-CD1 3.75Å; L438-Y464 HydrophobicContact CD2-CE1 4.35Å; L438-Y464 HydrophobicContact CD2-CG 3.87Å; L438-I477 HydrophobicContact CD1-CG2 3.7Å; L438-M479 HydrophobicContact CB-CE 4.25Å; L438-M479 HydrophobicContact CD1-CE 4.31Å
439	S	87.1	Confident	69.6	Low	17 Å²	17	70.3 Å²	70.3	12%	0.119	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.3	179.9	60.8	0	0	0	0	111.5	T453 I477 C478	S439-T453 CarbonylContact C-O 3.48Å; S439-T453 VanDerWaalsContact CA-O 3.23Å; S439-T453 WeakPolarHBondContact CA-O 3.45Å; S439-I477 CarbonylContact O-C 3.11Å; S439-I477 WeakPolarHBondContact O-CA 3.29Å; S439-C478 PolarHBondContact N-O 3.27Å; S439-C478 PolarHBondContact O-N 2.81Å; S439-C478 WeakPolarHBondContact OG-CB 3.43Å; S439-C478 PolarHBondContact OG-O 2.81Å
440	W	88.6	Confident	68.2	Low	46 Å²	46	70.1 Å²	70.1	17%	0.174	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	147.7	173	67.2	100	0	0	0	113.1	T453 T455 L466 R476 I477	W440-T453 VanDerWaalsContact CD2-OG1 3.23Å; W440-T453 VanDerWaalsContact CZ2-OG1 3.31Å; W440-T453 WeakPolarHBondContact CZ2-OG1 3.25Å; W440-T453 PolarHBondContact N-O 3.19Å; W440-T453 PolarHBondContact NE1-OG1 2.98Å; W440-T453 PolarHBondContact O-N 3.15Å; W440-T453 VanDerWaalsContact O-N 3.13Å; W440-T453 PolarHBondContact O-OG1 3.14Å; W440-T453 VanDerWaalsContact O-OG1 3.09Å; W440-T455 HydrophobicContact CZ3-CG2 4.04Å; W440-L466 HydrophobicContact CB-CD1 4.13Å; W440-L466 HydrophobicContact CD2-CD1 3.96Å; W440-L466 HydrophobicContact CD2-CD2 3.63Å; W440-L466 HydrophobicContact CD2-CG 4.48Å; W440-L466 HydrophobicContact CE3-CD1 4.45Å; W440-L466 HydrophobicContact CE3-CD2 3.62Å; W440-L466 HydrophobicContact CG-CD1 3.79Å; W440-L466 HydrophobicContact CG-CD2 4.35Å; W440-L466 HydrophobicContact CH2-CD2 3.87Å; W440-L466 HydrophobicContact CZ2-CD2 3.84Å; W440-L466 HydrophobicContact CZ3-CD2 3.75Å; W440-R476 CarbonylContact C-O 3.55Å; W440-R476 VanDerWaalsContact CA-O 3.26Å; W440-R476 WeakPolarHBondContact CA-O 3.39Å; W440-I477 HydrophobicContact CB-CG1 3.9Å
441	L	85.5	Confident	67.5	Low	48 Å²	48	71 Å²	71	25%	0.251	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	129.9	-174.4	178	66	0	0	0	110	G450 I452 Y475 R476	L441-G450 WeakPolarHBondContact CD1-O 3.44Å; L441-I452 HydrophobicContact CD1-CG1 4.03Å; L441-Y475 CarbonylContact O-C 3.51Å; L441-Y475 VanDerWaalsContact O-CA 3.22Å; L441-Y475 WeakPolarHBondContact O-CA 3.39Å; L441-R476 PolarHBondContact N-O 3.15Å; L441-R476 PolarHBondContact O-N 2.76Å
442	K	83.1	Confident	67.6	Low	47 Å²	47	71.4 Å²	71.4	20%	0.204	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	125.6	171.2	-172.1	177.4	162.7	-175.1	0	110.4	E470 S473 A474 Y475	K442-E470 IonicContact NZ-OE1 3.86Å; K442-E470 PolarHBondContact NZ-OE1 3.31Å; K442-E470 IonicContact NZ-OE2 3.28Å; K442-E470 PolarHBondContact NZ-OE2 3.46Å; K442-S473 VanDerWaalsContact CE-OG 3.25Å; K442-S473 WeakPolarHBondContact CE-OG 3.42Å; K442-A474 CarbonylContact C-O 3.48Å; K442-A474 WeakPolarHBondContact CA-O 3.44Å; K442-Y475 HydrophobicContact CB-CD1 3.94Å; K442-Y475 HydrophobicContact CB-CE1 3.56Å; K442-Y475 HydrophobicContact CD-CE1 4.45Å; K442-Y475 HydrophobicContact CG-CD1 4.48Å; K442-Y475 HydrophobicContact CG-CE1 3.98Å
443	L	71.8	Confident	68.2	Low	59 Å²	59	67.3 Å²	67.3	31%	0.309	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	132.5	177.3	-62.9	168.9	0	0	0	109.3	A474 R476 E498	L443-A474 HydrophobicContact CB-CB 3.92Å; L443-A474 HydrophobicContact CD1-CB 4.27Å; L443-A474 PolarHBondContact N-O 2.81Å; L443-R476 HydrophobicContact CD1-CB 4.1Å; L443-R476 HydrophobicContact CD2-CB 4.17Å; L443-R476 HydrophobicContact CG-CB 4.18Å; L443-E498 HydrophobicContact CD1-CB 4.5Å; L443-E498 HydrophobicContact CD1-CG 4.04Å
444	G	63.8	Low	68.9	Low	76 Å²	76	70.4 Å²	70.4	78%	0.784	42%	0.416	S	S	*	.	S	Bend	trans	120.4	2.6	176.3	0	0	0	0	0	116.2
445	H	51.6	Low	69.5	Low	128 Å²	128	68.4 Å²	68.4	59%	0.593	40%	0.404	S	S	*	.	S	Bend	trans	-98.8	148.1	159.4	-76.8	24.9	0	0	0	109.2
446	S	45.8	Very low	69.6	Low	82 Å²	82	72.6 Å²	72.6	57%	0.573	42%	0.422	S	S	*	.			trans	-33.7	140.2	178.7	175.3	0	0	0	0	112.3	A448 F449	S446-A448 PolarHBondContact O-N 3.23Å; S446-F449 PolarHBondContact O-N 2.9Å; S446-F449 VanDerWaalsContact O-N 3.08Å
447	P	43.3	Very low	69.6	Low	143 Å²	143	72.8 Å²	72.8	93%	0.929	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	8.4	-173.1	23.6	-33.8	0	0	0	116.1
448	A	42.8	Very low	69.2	Low	76 Å²	76	74.4 Å²	74.4	63%	0.628	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-1.1	177.1	0	0	0	0	0	115.3	S446	S446-A448 PolarHBondContact O-N 3.23Å
449	F	38.7	Very low	68.2	Low	170 Å²	170	75.3 Å²	75.3	75%	0.746	44%	0.444	S	S	*	.			trans	-141	22.4	-166.2	-89.7	-80.2	0	0	0	117.8	S446 S451	S446-F449 PolarHBondContact O-N 2.9Å; S446-F449 VanDerWaalsContact O-N 3.08Å; F449-S451 PolarHBondContact O-N 3.24Å
450	G	49.6	Very low	67.4	Low	40 Å²	40	83.3 Å²	83.3	41%	0.412	48%	0.48	S	S	.	.			trans	-83.8	111	172.6	0	0	0	0	0	111.4	L441 I452	L441-G450 WeakPolarHBondContact CD1-O 3.44Å; G450-I452 PolarHBondContact O-N 2.78Å; G450-I452 VanDerWaalsContact O-N 3.15Å
451	S	55.1	Low	66.9	Low	97 Å²	97	87.8 Å²	87.8	68%	0.678	50%	0.497	S	S	*	.			trans	-67.2	111	171.7	61.2	0	0	0	0	109.4	F449 T453	F449-S451 PolarHBondContact O-N 3.24Å; S451-T453 PolarHBondContact O-N 3.24Å
452	I	69	Low	66.7	Low	103 Å²	103	89.5 Å²	89.5	53%	0.528	51%	0.509	S	S	.	.			trans	-73.2	126.5	172.5	-58.6	171.1	0	0	0	107.1	L441 G450 E454	L441-I452 HydrophobicContact CD1-CG1 4.03Å; G450-I452 PolarHBondContact O-N 2.78Å; G450-I452 VanDerWaalsContact O-N 3.15Å; I452-E454 HydrophobicContact CG2-CG 3.81Å
453	T	78.6	Confident	66.9	Low	53 Å²	53	93 Å²	93	33%	0.325	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.9	173.3	43	0	0	0	0	108.3	S439 W440 S451	S439-T453 CarbonylContact C-O 3.48Å; S439-T453 VanDerWaalsContact CA-O 3.23Å; S439-T453 WeakPolarHBondContact CA-O 3.45Å; W440-T453 VanDerWaalsContact CD2-OG1 3.23Å; W440-T453 VanDerWaalsContact CZ2-OG1 3.31Å; W440-T453 WeakPolarHBondContact CZ2-OG1 3.25Å; W440-T453 PolarHBondContact N-O 3.19Å; W440-T453 PolarHBondContact NE1-OG1 2.98Å; W440-T453 PolarHBondContact O-N 3.15Å; W440-T453 VanDerWaalsContact O-N 3.13Å; W440-T453 PolarHBondContact O-OG1 3.14Å; W440-T453 VanDerWaalsContact O-OG1 3.09Å; S451-T453 PolarHBondContact O-N 3.24Å
454	E	82.7	Confident	67.6	Low	99 Å²	99	93.3 Å²	93.3	46%	0.463	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	147	-174.8	-53.8	-165.1	162.5	0	0	111.1	R437 L438 I452	R437-E454 WeakPolarHBondContact CD-OE2 3.28Å; R437-E454 IonicContact CZ-OE2 3.76Å; R437-E454 IonicContact NE-OE2 3.29Å; R437-E454 IonicContact NH1-OE1 3.46Å; R437-E454 PolarHBondContact NH1-OE1 3.07Å; R437-E454 IonicContact NH1-OE2 3.75Å; R437-E454 PolarHBondContact NH1-OE2 2.81Å; L438-E454 CarbonylContact O-C 3.11Å; L438-E454 WeakPolarHBondContact O-CA 3.49Å; I452-E454 HydrophobicContact CG2-CG 3.81Å
455	T	82.2	Confident	68.7	Low	40 Å²	40	93.9 Å²	93.9	25%	0.245	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	153.4	172.3	-170.1	0	0	0	0	110.4	L438 W440 V457 Y464	L438-T455 HydrophobicContact CB-CG2 4.04Å; L438-T455 HydrophobicContact CD2-CG2 4.24Å; L438-T455 HydrophobicContact CG-CG2 4.49Å; L438-T455 PolarHBondContact N-O 3.14Å; L438-T455 PolarHBondContact O-N 2.74Å; W440-T455 HydrophobicContact CZ3-CG2 4.04Å; T455-V457 HydrophobicContact CG2-CG2 4.3Å; T455-Y464 HydrophobicContact CG2-CE1 4.38Å; T455-Y464 HydrophobicContact CG2-CE2 4.26Å
456	I	83	Confident	70.3	Confident	109 Å²	109	88 Å²	88	56%	0.559	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.7	176.8	-58.9	172.9	0	0	0	108.3	A435 M482	A435-I456 HydrophobicContact CB-CG2 3.98Å; I456-M482 HydrophobicContact CD1-CE 4.24Å; I456-M482 HydrophobicContact CD1-SD 3.99Å; I456-M482 HydrophobicContact CG1-SD 3.98Å; I456-M482 HydrophobicContact CG2-SD 3.89Å
457	V	84.3	Confident	72.1	Confident	3 Å²	3	88.5 Å²	88.5	2%	0.018	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130.4	178.4	-168.9	0	0	0	0	109	W427 A435 L436 L438 T455 R461 Y464	W427-V457 HydrophobicContact CH2-CB 4.5Å; W427-V457 HydrophobicContact CH2-CG1 3.8Å; W427-V457 HydrophobicContact CH2-CG2 4.47Å; W427-V457 HydrophobicContact CZ2-CB 4.38Å; W427-V457 HydrophobicContact CZ2-CG1 3.68Å; A435-V457 CarbonylContact C-O 3.49Å; A435-V457 WeakPolarHBondContact CA-O 3.5Å; L436-V457 PolarHBondContact N-O 2.99Å; L436-V457 PolarHBondContact O-N 3.19Å; L438-V457 HydrophobicContact CB-CG2 4.05Å; L438-V457 HydrophobicContact CD2-CG2 4.36Å; T455-V457 HydrophobicContact CG2-CG2 4.3Å; V457-R461 HydrophobicContact CG1-CB 3.72Å; V457-R461 HydrophobicContact CG1-CG 4.33Å; V457-Y464 HydrophobicContact CG2-CD2 4.13Å; V457-Y464 HydrophobicContact CG2-CE2 4.47Å
458	Q	77.6	Confident	73.8	Confident	126 Å²	126	86.1 Å²	86.1	59%	0.589	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.3	139.7	173.6	-68.9	176.3	-28.5	0	0	110.3	E460 R461	Q458-E460 PolarHBondContact O-N 3.32Å; Q458-E460 VanDerWaalsContact O-N 3.11Å; Q458-R461 PolarHBondContact O-N 3.15Å
459	G	67.7	Low	75.7	Confident	20 Å²	20	83.1 Å²	83.1	21%	0.206	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-11.2	-171.6	0	0	0	0	0	115.9	M433 T434 R461	M433-G459 VanDerWaalsContact O-CA 3.31Å; M433-G459 WeakPolarHBondContact O-CA 3.38Å; T434-G459 PolarHBondContact O-N 2.81Å; G459-R461 VanDerWaalsContact C-N 3.33Å
460	E	71.3	Confident	77.7	Confident	185 Å²	185	80 Å²	80	86%	0.864	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-21.3	170.5	-64.9	-175.2	172.2	0	0	113.2	Q458	Q458-E460 PolarHBondContact O-N 3.32Å; Q458-E460 VanDerWaalsContact O-N 3.11Å
461	R	78.4	Confident	79.3	Confident	140 Å²	140	80.7 Å²	80.7	53%	0.528	43%	0.432	S	S	.	.			trans	-81.4	144.6	178.2	-62.9	-174.1	177.8	-160.9	-0.3	110.4	W427 V457 Q458 G459	W427-R461 VanDerWaalsContact CE2-O 3.26Å; W427-R461 HydrophobicContact CZ2-CB 4.25Å; W427-R461 WeakPolarHBondContact CZ2-O 3.26Å; W427-R461 PolarHBondContact NE1-O 3.34Å; W427-R461 VanDerWaalsContact NE1-O 3.08Å; V457-R461 HydrophobicContact CG1-CB 3.72Å; V457-R461 HydrophobicContact CG1-CG 4.33Å; Q458-R461 PolarHBondContact O-N 3.15Å; G459-R461 VanDerWaalsContact C-N 3.33Å
462	T	81.3	Confident	80.5	Confident	84 Å²	84	82.2 Å²	82.2	52%	0.515	43%	0.433	S	S	.	.			trans	-125.5	0.9	179.6	54.8	0	0	0	0	113.1	S426 W427	S426-T462 CarbonylContact C-O 3.44Å; S426-T462 WeakPolarHBondContact CA-O 3.35Å; W427-T462 PolarHBondContact N-O 3.37Å
463	E	85.9	Confident	81	Confident	119 Å²	119	77.9 Å²	77.9	56%	0.556	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.5	151.9	178.7	64.1	-175.2	-170.8	0	0	112.5	H424 I425 W427	H424-E463 IonicContact CE1-OE2 2.84Å; H424-E463 IonicContact NE2-OE2 3.73Å; I425-E463 CarbonylContact O-C 3.58Å; I425-E463 WeakPolarHBondContact O-CA 3.22Å; W427-E463 WeakPolarHBondContact CH2-O 3.43Å; W427-E463 VanDerWaalsContact CZ3-C 3.5Å
464	Y	86.1	Confident	81.3	Confident	67 Å²	67	76.6 Å²	76.6	26%	0.263	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	135.7	177.9	-163	-90.5	0	0	0	110.4	I425 L438 T455 V457 L466	I425-Y464 PolarHBondContact N-O 3.29Å; I425-Y464 PolarHBondContact O-N 3.38Å; L438-Y464 HydrophobicContact CD2-CD1 3.75Å; L438-Y464 HydrophobicContact CD2-CE1 4.35Å; L438-Y464 HydrophobicContact CD2-CG 3.87Å; T455-Y464 HydrophobicContact CG2-CE1 4.38Å; T455-Y464 HydrophobicContact CG2-CE2 4.26Å; V457-Y464 HydrophobicContact CG2-CD2 4.13Å; V457-Y464 HydrophobicContact CG2-CE2 4.47Å; Y464-L466 HydrophobicContact CD1-CD2 3.93Å; Y464-L466 HydrophobicContact CD1-CG 4.49Å; Y464-L466 HydrophobicContact CE1-CD2 3.79Å
465	L	87.4	Confident	81.4	Confident	88 Å²	88	72.5 Å²	72.5	46%	0.461	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113.5	177.6	-176	68.4	0	0	0	110.1	A422 H424 T467	A422-L465 HydrophobicContact CB-CD1 4.31Å; H424-L465 HydrophobicContact CB-CD1 4.23Å; L465-T467 HydrophobicContact CD2-CG2 3.97Å; L465-T467 HydrophobicContact CG-CG2 3.95Å
466	L	85	Confident	81.6	Confident	5 Å²	5	75.7 Å²	75.7	3%	0.026	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	133.7	167.1	-62.6	-178.9	0	0	0	109.2	A422 I423 I425 W440 Y464 L469 I477	A422-L466 CarbonylContact C-O 3.52Å; A422-L466 WeakPolarHBondContact CA-O 3.36Å; A422-L466 VanDerWaalsContact CB-O 3.26Å; A422-L466 WeakPolarHBondContact CB-O 3.46Å; I423-L466 HydrophobicContact CB-CB 4.35Å; I423-L466 PolarHBondContact N-O 2.68Å; I423-L466 PolarHBondContact O-N 3.08Å; I425-L466 HydrophobicContact CD1-CD1 3.59Å; I425-L466 HydrophobicContact CD1-CD2 4.29Å; I425-L466 HydrophobicContact CD1-CG 3.62Å; I425-L466 HydrophobicContact CG1-CD1 4.49Å; I425-L466 HydrophobicContact CG1-CG 4.48Å; W440-L466 HydrophobicContact CB-CD1 4.13Å; W440-L466 HydrophobicContact CD2-CD1 3.96Å; W440-L466 HydrophobicContact CD2-CD2 3.63Å; W440-L466 HydrophobicContact CD2-CG 4.48Å; W440-L466 HydrophobicContact CE3-CD1 4.45Å; W440-L466 HydrophobicContact CE3-CD2 3.62Å; W440-L466 HydrophobicContact CG-CD1 3.79Å; W440-L466 HydrophobicContact CG-CD2 4.35Å; W440-L466 HydrophobicContact CH2-CD2 3.87Å; W440-L466 HydrophobicContact CZ2-CD2 3.84Å; W440-L466 HydrophobicContact CZ3-CD2 3.75Å; Y464-L466 HydrophobicContact CD1-CD2 3.93Å; Y464-L466 HydrophobicContact CD1-CG 4.49Å; Y464-L466 HydrophobicContact CE1-CD2 3.79Å; L466-L469 HydrophobicContact CB-CD1 3.83Å; L466-L469 HydrophobicContact CB-CG 4.33Å; L466-L469 HydrophobicContact CD1-CD1 4.38Å; L466-I477 HydrophobicContact CD1-CD1 4.11Å; L466-I477 HydrophobicContact CD1-CG1 4.37Å
467	T	84.8	Confident	81.8	Confident	91 Å²	91	70.5 Å²	70.5	56%	0.558	37%	0.367	S	S	*	.			trans	-131.5	168.2	179.1	57	0	0	0	0	109.8	D421 A422 L465 L469	D421-T467 CarbonylContact O-C 2.93Å; A422-T467 HydrophobicContact CB-CG2 4.36Å; L465-T467 HydrophobicContact CD2-CG2 3.97Å; L465-T467 HydrophobicContact CG-CG2 3.95Å; T467-L469 VanDerWaalsContact C-N 3.26Å; T467-L469 PolarHBondContact O-N 3.17Å
468	A	78.9	Confident	82	Confident	94 Å²	94	71.1 Å²	71.1	78%	0.777	37%	0.372	S	S	*	.	S	Bend	trans	59.9	33	-177.1	0	0	0	0	0	114	D421	D421-A468 PolarHBondContact O-N 2.82Å
469	L	82.8	Confident	82.3	Confident	13 Å²	13	65.2 Å²	65.2	7%	0.068	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-84.6	150	173.6	-58.9	175.8	0	0	0	110.5	D421 I423 L466 T467 Y475 T501	D421-L469 WeakPolarHBondContact CA-O 3.37Å; D421-L469 WeakPolarHBondContact CB-O 3.36Å; D421-L469 WeakPolarHBondContact O-CB 3.3Å; D421-L469 PolarHBondContact O-N 2.93Å; I423-L469 HydrophobicContact CB-CD1 3.87Å; I423-L469 HydrophobicContact CD1-CD1 3.51Å; I423-L469 HydrophobicContact CG1-CD1 3.53Å; L466-L469 HydrophobicContact CB-CD1 3.83Å; L466-L469 HydrophobicContact CB-CG 4.33Å; L466-L469 HydrophobicContact CD1-CD1 4.38Å; T467-L469 VanDerWaalsContact C-N 3.26Å; T467-L469 PolarHBondContact O-N 3.17Å; L469-Y475 HydrophobicContact CB-CE2 4.09Å; L469-Y475 HydrophobicContact CD1-CE2 4.46Å; L469-Y475 HydrophobicContact CD2-CD1 4.34Å; L469-Y475 HydrophobicContact CD2-CE1 3.77Å; L469-Y475 HydrophobicContact CD2-CE2 4.41Å; L469-T501 HydrophobicContact CB-CG2 3.88Å; L469-T501 HydrophobicContact CD1-CG2 4.04Å
470	E	79.9	Confident	83.1	Confident	104 Å²	104	65.4 Å²	65.4	49%	0.486	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-68.8	139.6	172.8	-70.2	-174.4	-120.5	0	0	111.8	K442 S473 Y475 T501	K442-E470 IonicContact NZ-OE1 3.86Å; K442-E470 PolarHBondContact NZ-OE1 3.31Å; K442-E470 IonicContact NZ-OE2 3.28Å; K442-E470 PolarHBondContact NZ-OE2 3.46Å; E470-S473 WeakPolarHBondContact CB-OG 3.47Å; E470-S473 WeakPolarHBondContact O-CB 3.45Å; E470-Y475 PolarHBondContact N-OH 2.93Å; E470-T501 WeakPolarHBondContact O-CB 3.06Å; E470-T501 PolarHBondContact O-OG1 3.38Å
471	P	82.4	Confident	83.4	Confident	55 Å²	55	58.1 Å²	58.1	36%	0.357	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	155	175.4	29.5	-34.6	0	0	0	112.3	A420 S473 H504	A420-P471 HydrophobicContact CB-CB 4.11Å; A420-P471 WeakPolarHBondContact O-CA 3.28Å; A420-P471 WeakPolarHBondContact O-CB 3.21Å; P471-S473 PolarHBondContact O-N 2.89Å; P471-S473 VanDerWaalsContact O-N 3.15Å; P471-S473 PolarHBondContact O-OG 3.38Å; P471-S473 VanDerWaalsContact O-OG 3.06Å; P471-H504 HydrophobicContact CB-CB 4.17Å; P471-H504 HydrophobicContact CG-CB 4.41Å
472	D	80.6	Confident	82.9	Confident	129 Å²	129	55.2 Å²	55.2	69%	0.69	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	37.8	178	-153.8	31.7	0	0	0	113.5	T501 G502	D472-T501 PolarHBondContact N-OG1 2.86Å; D472-T501 VanDerWaalsContact N-OG1 3.11Å; D472-G502 PolarHBondContact N-O 2.9Å
473	S	81.1	Confident	81.8	Confident	11 Å²	11	58.9 Å²	58.9	8%	0.077	32%	0.315	C	S	.	.			trans	-123.6	134.2	-173.6	-67.9	0	0	0	0	111.1	K442 E470 P471 Y475 E500 T501	K442-S473 VanDerWaalsContact CE-OG 3.25Å; K442-S473 WeakPolarHBondContact CE-OG 3.42Å; E470-S473 WeakPolarHBondContact CB-OG 3.47Å; E470-S473 WeakPolarHBondContact O-CB 3.45Å; P471-S473 PolarHBondContact O-N 2.89Å; P471-S473 VanDerWaalsContact O-N 3.15Å; P471-S473 PolarHBondContact O-OG 3.38Å; P471-S473 VanDerWaalsContact O-OG 3.06Å; S473-Y475 VanDerWaalsContact O-CD2 3.28Å; S473-Y475 WeakPolarHBondContact O-CD2 3.02Å; S473-Y475 WeakPolarHBondContact O-CE2 3.23Å; S473-E500 WeakPolarHBondContact O-CA 3.26Å; S473-T501 PolarHBondContact N-OG1 3.33Å; S473-T501 PolarHBondContact O-N 3.41Å; S473-T501 PolarHBondContact O-OG1 3.16Å
474	A	83.6	Confident	80.1	Confident	27 Å²	27	57 Å²	57	22%	0.223	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	138.9	175.1	0	0	0	0	0	110.8	K442 L443 T499 E500	K442-A474 CarbonylContact C-O 3.48Å; K442-A474 WeakPolarHBondContact CA-O 3.44Å; L443-A474 HydrophobicContact CB-CB 3.92Å; L443-A474 HydrophobicContact CD1-CB 4.27Å; L443-A474 PolarHBondContact N-O 2.81Å; A474-T499 CarbonylContact C-O 3.49Å; A474-T499 WeakPolarHBondContact CA-O 3.42Å; A474-E500 HydrophobicContact CB-CG 3.92Å
475	Y	84.6	Confident	78.2	Confident	13 Å²	13	58.7 Å²	58.7	5%	0.051	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140.3	177.3	-69.6	-92.2	0	0	0	111.1	I423 L441 K442 L469 E470 S473 E498 T499 T501	I423-Y475 HydrophobicContact CD1-CD2 4.1Å; L441-Y475 CarbonylContact O-C 3.51Å; L441-Y475 VanDerWaalsContact O-CA 3.22Å; L441-Y475 WeakPolarHBondContact O-CA 3.39Å; K442-Y475 HydrophobicContact CB-CD1 3.94Å; K442-Y475 HydrophobicContact CB-CE1 3.56Å; K442-Y475 HydrophobicContact CD-CE1 4.45Å; K442-Y475 HydrophobicContact CG-CD1 4.48Å; K442-Y475 HydrophobicContact CG-CE1 3.98Å; L469-Y475 HydrophobicContact CB-CE2 4.09Å; L469-Y475 HydrophobicContact CD1-CE2 4.46Å; L469-Y475 HydrophobicContact CD2-CD1 4.34Å; L469-Y475 HydrophobicContact CD2-CE1 3.77Å; L469-Y475 HydrophobicContact CD2-CE2 4.41Å; E470-Y475 PolarHBondContact N-OH 2.93Å; S473-Y475 VanDerWaalsContact O-CD2 3.28Å; S473-Y475 WeakPolarHBondContact O-CD2 3.02Å; S473-Y475 WeakPolarHBondContact O-CE2 3.23Å; Y475-E498 WeakPolarHBondContact O-CA 3.44Å; Y475-T499 PolarHBondContact N-O 2.83Å; Y475-T499 PolarHBondContact O-N 2.79Å; Y475-T501 HydrophobicContact CD2-CG2 4.09Å; Y475-T501 HydrophobicContact CE2-CG2 3.77Å
476	R	87.3	Confident	76.2	Confident	106 Å²	106	62.6 Å²	62.6	40%	0.4	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	121.5	167.1	-173	165.1	178.3	140.8	-9.8	109.5	W440 L441 L443 C496 E498	W440-R476 CarbonylContact C-O 3.55Å; W440-R476 VanDerWaalsContact CA-O 3.26Å; W440-R476 WeakPolarHBondContact CA-O 3.39Å; L441-R476 PolarHBondContact N-O 3.15Å; L441-R476 PolarHBondContact O-N 2.76Å; L443-R476 HydrophobicContact CD1-CB 4.1Å; L443-R476 HydrophobicContact CD2-CB 4.17Å; L443-R476 HydrophobicContact CG-CB 4.18Å; R476-C496 HydrophobicContact CG-CB 4.44Å; R476-E498 HydrophobicContact CB-CG 4.15Å; R476-E498 HydrophobicContact CG-CG 4.02Å; R476-E498 IonicContact CZ-OE1 2.76Å; R476-E498 IonicContact NH1-OE1 3.65Å; R476-E498 PolarHBondContact NH1-OE1 2.76Å
477	I	87.6	Confident	74.2	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127	-178.3	-60.4	163.7	0	0	0	107.8	V415 I423 I425 L438 S439 W440 L466 C496 I497 T499	V415-I477 HydrophobicContact CG1-CD1 4.03Å; V415-I477 HydrophobicContact CG2-CD1 4.07Å; I423-I477 HydrophobicContact CG2-CD1 4.07Å; I425-I477 HydrophobicContact CD1-CD1 3.93Å; I425-I477 HydrophobicContact CD1-CG2 3.79Å; I425-I477 HydrophobicContact CG1-CD1 4.06Å; L438-I477 HydrophobicContact CD1-CG2 3.7Å; S439-I477 CarbonylContact O-C 3.11Å; S439-I477 WeakPolarHBondContact O-CA 3.29Å; W440-I477 HydrophobicContact CB-CG1 3.9Å; L466-I477 HydrophobicContact CD1-CD1 4.11Å; L466-I477 HydrophobicContact CD1-CG1 4.37Å; I477-C496 CarbonylContact O-C 3.48Å; I477-C496 VanDerWaalsContact O-CA 3.23Å; I477-C496 WeakPolarHBondContact O-CA 3.49Å; I477-I497 HydrophobicContact CB-CG2 4.21Å; I477-I497 PolarHBondContact N-O 3.02Å; I477-I497 PolarHBondContact O-N 2.88Å; I477-T499 HydrophobicContact CD1-CG2 3.72Å
478	C	87.1	Confident	72.3	Confident	17 Å²	17	74.5 Å²	74.5	12%	0.115	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	148.2	-179.8	-58.1	0	0	0	0	111.4	S439 P494 V495 C496	S439-C478 PolarHBondContact N-O 3.27Å; S439-C478 PolarHBondContact O-N 2.81Å; S439-C478 WeakPolarHBondContact OG-CB 3.43Å; S439-C478 PolarHBondContact OG-O 2.81Å; C478-P494 HydrophobicContact CB-CB 4.3Å; C478-V495 CarbonylContact C-O 3.51Å; C478-V495 VanDerWaalsContact CA-O 3.27Å; C478-V495 WeakPolarHBondContact CA-O 3.21Å; C478-C496 HydrophobicContact CB-CB 4.1Å; C478-C496 WeakPolarHBondContact CB-SG 3.48Å; C478-C496 WeakPolarHBondContact SG-CB 3.25Å; C478-C496 CovalentContact SG-SG 2.04Å; C478-C496 PolarHBondContact SG-SG 2.62Å
479	M	85.3	Confident	70.9	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.005	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.6	176.2	-157	169.7	-135.2	0	0	111.4	I411 I413 W427 L436 R437 L438 V495	I411-M479 HydrophobicContact CG2-SD 4.33Å; I413-M479 HydrophobicContact CD1-CB 3.44Å; I413-M479 VanDerWaalsContact CD1-CB 3.44Å; I413-M479 HydrophobicContact CG1-CB 4.28Å; W427-M479 HydrophobicContact CB-SD 4.27Å; W427-M479 HydrophobicContact CD2-CE 3.57Å; W427-M479 HydrophobicContact CD2-SD 3.78Å; W427-M479 VanDerWaalsContact CE2-CE 3.49Å; W427-M479 HydrophobicContact CE3-CE 3.79Å; W427-M479 HydrophobicContact CE3-SD 4.24Å; W427-M479 HydrophobicContact CG-CE 4.19Å; W427-M479 HydrophobicContact CG-SD 3.77Å; W427-M479 HydrophobicContact CH2-CE 3.91Å; W427-M479 HydrophobicContact CZ2-CE 3.66Å; W427-M479 HydrophobicContact CZ3-CE 3.96Å; L436-M479 HydrophobicContact CB-CE 3.8Å; L436-M479 HydrophobicContact CB-CG 4.16Å; L436-M479 HydrophobicContact CB-SD 4.3Å; L436-M479 HydrophobicContact CD1-CE 3.91Å; L436-M479 HydrophobicContact CD1-SD 4.05Å; L436-M479 HydrophobicContact CD2-CG 4.46Å; L436-M479 HydrophobicContact CG-CE 4.44Å; R437-M479 CarbonylContact O-C 3.29Å; R437-M479 VanDerWaalsContact O-CA 3.28Å; R437-M479 WeakPolarHBondContact O-CA 3.48Å; L438-M479 HydrophobicContact CB-CE 4.25Å; L438-M479 HydrophobicContact CD1-CE 4.31Å; M479-V495 PolarHBondContact N-O 3.09Å; M479-V495 PolarHBondContact O-N 3.02Å; M479-V495 VanDerWaalsContact O-N 3.08Å
480	V	84.2	Confident	69	Low	24 Å²	24	78.3 Å²	78.3	15%	0.145	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	133	-177.9	-173.8	0	0	0	0	110	R437 P494	R437-V480 PolarHBondContact N-O 2.76Å; R437-V480 PolarHBondContact O-N 3.11Å; V480-P494 HydrophobicContact CG2-CB 3.63Å
481	P	77.1	Confident	67.5	Low	32 Å²	32	77.3 Å²	77.3	21%	0.208	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	139.4	172.3	30	-33.9	0	0	0	111.5	I411 M433 L436	I411-P481 HydrophobicContact CD1-CB 4.35Å; I411-P481 HydrophobicContact CD1-CG 4.39Å; M433-P481 HydrophobicContact CE-CB 3.73Å; M433-P481 HydrophobicContact CE-CG 4.46Å; M433-P481 HydrophobicContact SD-CB 3.61Å; L436-P481 HydrophobicContact CD2-CB 4.45Å
482	M	67.2	Low	66.2	Low	79 Å²	79	82.2 Å²	82.2	39%	0.389	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-96.5	133.3	174.8	-62.6	-166.5	71.7	0	0	110.5	A435 R437 I456 T484	A435-M482 HydrophobicContact CB-CB 4.31Å; A435-M482 HydrophobicContact CB-SD 4.43Å; A435-M482 PolarHBondContact O-N 2.86Å; R437-M482 HydrophobicContact CB-CG 4.14Å; R437-M482 HydrophobicContact CB-SD 4.17Å; I456-M482 HydrophobicContact CD1-CE 4.24Å; I456-M482 HydrophobicContact CD1-SD 3.99Å; I456-M482 HydrophobicContact CG1-SD 3.98Å; I456-M482 HydrophobicContact CG2-SD 3.89Å; M482-T484 PolarHBondContact O-N 2.85Å
483	E	59.3	Low	65.3	Low	161 Å²	161	80.3 Å²	80.3	75%	0.752	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-68.4	123.3	-173.1	-154.8	175.1	-156.9	0	0	111.1
484	T	49.1	Very low	65.1	Low	79 Å²	79	83.3 Å²	83.3	49%	0.485	44%	0.444	S	S	.	.			trans	-133.2	116.1	165.9	46	0	0	0	0	109.5	T434 M482	T434-T484 HydrophobicContact CG2-CG2 4.48Å; T434-T484 WeakPolarHBondContact OG1-CG2 3.46Å; T434-T484 PolarHBondContact OG1-OG1 2.94Å; M482-T484 PolarHBondContact O-N 2.85Å
485	S	46.4	Very low	65	Low	104 Å²	104	84.6 Å²	84.6	73%	0.727	45%	0.448	S	S	*	.	S	Bend	trans	41	109.2	163.5	53.3	0	0	0	0	118.7
486	N	45.1	Very low	65.1	Low	170 Å²	170	85.8 Å²	85.8	91%	0.909	46%	0.458	S	S	*	.	S	Bend	trans	71.2	21.8	153.1	-69.5	-9.9	0	0	0	120
487	I	44.8	Very low	64.9	Low	123 Å²	123	82.4 Å²	82.4	63%	0.631	45%	0.448	S	S	*	.			trans	-132.7	110.5	163.3	-56	177	0	0	0	108.6	L489	I487-L489 HydrophobicContact CG2-CD1 4.45Å; I487-L489 PolarHBondContact O-N 3.07Å
488	Y	43	Very low	64.9	Low	223 Å²	223	87.3 Å²	87.3	88%	0.875	47%	0.471	S	S	*	.			trans	-63.2	101.3	170.2	-87.2	-86.9	0	0	0	108.9
489	L	49.5	Very low	64.8	Low	65 Å²	65	87.8 Å²	87.8	34%	0.34	47%	0.473	S	S	.	.			trans	-87.7	107.9	162.9	-86.6	120.2	0	0	0	107.7	I410 I487 D491	I410-L489 HydrophobicContact CD1-CD2 3.45Å; I410-L489 VanDerWaalsContact CD1-CD2 3.45Å; I410-L489 HydrophobicContact CG1-CD2 4.17Å; I410-L489 HydrophobicContact CG2-CD2 4.3Å; I487-L489 HydrophobicContact CG2-CD1 4.45Å; I487-L489 PolarHBondContact O-N 3.07Å; L489-D491 PolarHBondContact O-N 3.05Å; L489-D491 VanDerWaalsContact O-N 3.07Å
490	S	44	Very low	64.7	Low	121 Å²	121	93.9 Å²	93.9	85%	0.846	50%	0.502	S	S	*	.	S	Bend	trans	-72.6	9.9	-175.9	53.7	0	0	0	0	115.1
491	D	48.6	Very low	64.7	Low	83 Å²	83	93 Å²	93	44%	0.444	50%	0.496	S	S	.	.			trans	-132.3	88.4	-176.6	-109.1	-37.1	0	0	0	110	I410 L489 T493	I410-D491 HydrophobicContact CD1-CB 4.45Å; L489-D491 PolarHBondContact O-N 3.05Å; L489-D491 VanDerWaalsContact O-N 3.07Å; D491-T493 PolarHBondContact O-N 3.26Å; D491-T493 PolarHBondContact OD1-OG1 3.11Å; D491-T493 VanDerWaalsContact OD1-OG1 3.09Å
492	E	55.1	Low	64.6	Low	159 Å²	159	92.3 Å²	92.3	74%	0.743	50%	0.495	S	S	*	.			trans	-77.8	11.6	167.5	-65.4	-171.8	156.3	0	0	112.2	P494	E492-P494 WeakPolarHBondContact O-CD 3.06Å
493	T	62.2	Low	64.6	Low	88 Å²	88	93.3 Å²	93.3	54%	0.54	51%	0.507	S	S	.	.			trans	-70.4	119.1	-173.9	49.5	0	0	0	0	110.4	D491 V495	D491-T493 PolarHBondContact O-N 3.26Å; D491-T493 PolarHBondContact OD1-OG1 3.11Å; D491-T493 VanDerWaalsContact OD1-OG1 3.09Å; T493-V495 PolarHBondContact O-N 3.1Å
494	P	75.6	Confident	64.5	Low	75 Å²	75	92.7 Å²	92.7	49%	0.487	50%	0.504	S	S	.	.			trans	-65.4	128.9	-179.4	24.4	-32.7	0	0	0	110.6	C478 V480 E492 C496	C478-P494 HydrophobicContact CB-CB 4.3Å; V480-P494 HydrophobicContact CG2-CB 3.63Å; E492-P494 WeakPolarHBondContact O-CD 3.06Å; P494-C496 PolarHBondContact O-N 3.02Å
495	V	82.9	Confident	64.5	Low	53 Å²	53	97.7 Å²	97.7	32%	0.321	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	115.8	171	-178.8	0	0	0	0	107.5	I411 I413 C478 M479 T493	I411-V495 HydrophobicContact CB-CG2 4.27Å; I413-V495 HydrophobicContact CD1-CB 3.99Å; I413-V495 HydrophobicContact CD1-CG1 3.84Å; I413-V495 WeakPolarHBondContact CD1-O 3.44Å; I413-V495 HydrophobicContact CG1-CG1 4.03Å; C478-V495 CarbonylContact C-O 3.51Å; C478-V495 VanDerWaalsContact CA-O 3.27Å; C478-V495 WeakPolarHBondContact CA-O 3.21Å; M479-V495 PolarHBondContact N-O 3.09Å; M479-V495 PolarHBondContact O-N 3.02Å; M479-V495 VanDerWaalsContact O-N 3.08Å; T493-V495 PolarHBondContact O-N 3.1Å
496	C	84.9	Confident	63.9	Low	38 Å²	38	97.6 Å²	97.6	26%	0.257	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	150.1	-177	-60	0	0	0	0	112.7	R476 I477 C478 P494	R476-C496 HydrophobicContact CG-CB 4.44Å; I477-C496 CarbonylContact O-C 3.48Å; I477-C496 VanDerWaalsContact O-CA 3.23Å; I477-C496 WeakPolarHBondContact O-CA 3.49Å; C478-C496 HydrophobicContact CB-CB 4.1Å; C478-C496 WeakPolarHBondContact CB-SG 3.48Å; C478-C496 WeakPolarHBondContact SG-CB 3.25Å; C478-C496 CovalentContact SG-SG 2.04Å; C478-C496 PolarHBondContact SG-SG 2.62Å; P494-C496 PolarHBondContact O-N 3.02Å
497	I	84.8	Confident	63.3	Low	35 Å²	35	100 Å²	100	18%	0.179	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	145.1	173.9	-168.8	165.7	0	0	0	110.4	I413 V415 I477	I413-I497 HydrophobicContact CG2-CG2 4.02Å; V415-I497 HydrophobicContact CG2-CD1 4.39Å; V415-I497 HydrophobicContact CG2-CG2 3.47Å; V415-I497 VanDerWaalsContact CG2-CG2 3.47Å; I477-I497 HydrophobicContact CB-CG2 4.21Å; I477-I497 PolarHBondContact N-O 3.02Å; I477-I497 PolarHBondContact O-N 2.88Å
498	E	87.1	Confident	62.6	Low	104 Å²	104	102.6 Å²	102.6	49%	0.486	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	142.5	179.1	-65.5	177.1	-178.9	0	0	109.9	L443 Y475 R476	L443-E498 HydrophobicContact CD1-CB 4.5Å; L443-E498 HydrophobicContact CD1-CG 4.04Å; Y475-E498 WeakPolarHBondContact O-CA 3.44Å; R476-E498 HydrophobicContact CB-CG 4.15Å; R476-E498 HydrophobicContact CG-CG 4.02Å; R476-E498 IonicContact CZ-OE1 2.76Å; R476-E498 IonicContact NH1-OE1 3.65Å; R476-E498 PolarHBondContact NH1-OE1 2.76Å
499	T	84.8	Confident	62.4	Low	26 Å²	26	97.7 Å²	97.7	16%	0.16	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	165.1	-174.6	-171.2	0	0	0	0	110.6	V415 I423 A474 Y475 I477	V415-T499 HydrophobicContact CG1-CG2 3.8Å; I423-T499 HydrophobicContact CD1-CG2 3.7Å; I423-T499 HydrophobicContact CG2-CG2 4.33Å; A474-T499 CarbonylContact C-O 3.49Å; A474-T499 WeakPolarHBondContact CA-O 3.42Å; Y475-T499 PolarHBondContact N-O 2.83Å; Y475-T499 PolarHBondContact O-N 2.79Å; I477-T499 HydrophobicContact CD1-CG2 3.72Å
500	E	83.7	Confident	61.5	Low	130 Å²	130	101.1 Å²	101.1	61%	0.607	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.8	-179.5	-68.7	175	175.9	0	0	110.2	S417 S473 A474	S417-E500 WeakPolarHBondContact CB-O 3.47Å; S473-E500 WeakPolarHBondContact O-CA 3.26Å; A474-E500 HydrophobicContact CB-CG 3.92Å
501	T	83.6	Confident	61.1	Low	6 Å²	6	102 Å²	102	4%	0.037	55%	0.545	C	S	.	.	P	Polyproline II helix	trans	-74.7	152.5	172.2	48.7	0	0	0	0	111.3	I423 L469 E470 D472 S473 Y475	I423-T501 HydrophobicContact CD1-CG2 3.76Å; I423-T501 HydrophobicContact CG1-CG2 3.94Å; L469-T501 HydrophobicContact CB-CG2 3.88Å; L469-T501 HydrophobicContact CD1-CG2 4.04Å; E470-T501 WeakPolarHBondContact O-CB 3.06Å; E470-T501 PolarHBondContact O-OG1 3.38Å; D472-T501 PolarHBondContact N-OG1 2.86Å; D472-T501 VanDerWaalsContact N-OG1 3.11Å; S473-T501 PolarHBondContact N-OG1 3.33Å; S473-T501 PolarHBondContact O-N 3.41Å; S473-T501 PolarHBondContact O-OG1 3.16Å; Y475-T501 HydrophobicContact CD2-CG2 4.09Å; Y475-T501 HydrophobicContact CE2-CG2 3.77Å
502	G	74.6	Confident	60.2	Low	17 Å²	17	104.6 Å²	104.6	18%	0.175	56%	0.564	C	S	.	*	P	Polyproline II helix	trans	-68.1	161.2	-178.7	0	0	0	0	0	113.7	S419 A420 D472	S419-G502 PolarHBondContact O-N 3.36Å; A420-G502 VanDerWaalsContact CA-O 3.32Å; A420-G502 WeakPolarHBondContact CA-O 3.4Å; A420-G502 WeakPolarHBondContact CB-O 3.19Å; D472-G502 PolarHBondContact N-O 2.9Å
503	P	68.5	Low	59	Low	100 Å²	100	104.3 Å²	104.3	65%	0.649	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-71.1	145.7	178.9	27.2	-33.5	0	0	0	112.4	K505	P503-K505 PolarHBondContact O-N 3.21Å
504	H	55.7	Low	57.4	Low	148 Å²	148	106.8 Å²	106.8	69%	0.685	58%	0.577	S	S	*	*			trans	-71.1	114.3	177.2	-168.1	17.1	0	0	0	110.7	P471 S506	P471-H504 HydrophobicContact CB-CB 4.17Å; P471-H504 HydrophobicContact CG-CB 4.41Å; H504-S506 PolarHBondContact O-N 3.22Å
505	K	50	Low	55	Low	183 Å²	183	113.7 Å²	113.7	80%	0.796	59%	0.593	S	S	*	*			trans	-76.7	105.7	168.4	-75.1	-175.8	178.8	179.3	0	109.6	P503 Y507	P503-K505 PolarHBondContact O-N 3.21Å; K505-Y507 PolarHBondContact O-N 2.83Å
506	S	34.4	Very low	52.4	Low	102 Å²	102	117.9 Å²	117.9	71%	0.713	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-70.1	116.4	171	58.3	0	0	0	0	110.7	H504	H504-S506 PolarHBondContact O-N 3.22Å
507	Y	30.7	Very low	49.9	Very low	221 Å²	221	124.9 Å²	124.9	87%	0.867	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-100.9	119	158.2	-97	-89.1	0	0	0	108.3	K505	K505-Y507 PolarHBondContact O-N 2.83Å
508	Q	30.1	Very low	47.3	Very low	177 Å²	177	131.7 Å²	131.7	83%	0.827	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-71.7	151.9	172.1	-85.2	179.9	-28.8	0	0	111.1
509	P	40.6	Very low	44.5	Very low	121 Å²	121	135 Å²	135	79%	0.786	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-87.4	133.3	-174.4	34.5	-30.4	0	0	0	110.8
510	T	29.2	Very low	42	Very low	137 Å²	137	139.9 Å²	139.9	84%	0.84	70%	0.703	S	S	*	*			trans	-130.7	108.5	161.3	28.1	0	0	0	0	109.7
511	T	36.4	Very low	40.1	Very low	139 Å²	139	138 Å²	138	85%	0.853	70%	0.702	S	S	*	*			trans	-70.5	119.2	160.3	44.6	0	0	0	0	109.4
512	T	30.1	Very low	37.6	Very low	137 Å²	137	146.9 Å²	146.9	84%	0.84	74%	0.736	S	S	*	*			trans	-142.8	119.6	149.9	44.9	0	0	0	0	110.4
513	L	29.2	Very low	35.5	Very low	153 Å²	153	154.6 Å²	154.6	80%	0.801	77%	0.765	S	S	*	*			trans	-63	143.1	165.4	-166.5	78.2	0	0	0	110.4
514	N	28	Very low	33.8	Very low	140 Å²	140	156.1 Å²	156.1	75%	0.749	77%	0.768	S	S	*	*			trans	81.8	143.1	162.7	-62	-29.4	0	0	0	121
515	R	26.6	Very low	32.8	Very low	220 Å²	220	154.1 Å²	154.1	83%	0.83	77%	0.771	S	S	*	*			trans	77.3	126.8	172.4	-80.4	173.7	80.5	137	-0.4	115
516	E	28.4	Very low	32.2	Very low	141 Å²	141	151 Å²	151	66%	0.659	77%	0.772	S	S	*	*			cis	-153.1	130.8	15.3	-88.9	143	-174.7	0	0	104.7
517	Q	32.2	Very low	32.8	Very low	186 Å²	186	154.1 Å²	154.1	87%	0.869	78%	0.779	S	S	*	*				35.3	87	64.3	-146.2	171.2	17.9	0	0	116.2
518	E	29.1	Very low	33.6	Very low	178 Å²	178	148.9 Å²	148.9	83%	0.832	77%	0.773	S	S	*	*			trans	-172.5	105.3	136.3	-103.2	171.7	-179.3	0	0	108
519	K	29.2	Very low	34.5	Very low	173 Å²	173	147.7 Å²	147.7	75%	0.752	77%	0.771	S	S	*	*				63.1	131.3	102.6	-76.6	-161.4	165.4	-174.1	0	113.2
520	E	32.4	Very low	34.9	Very low	129 Å²	129	145.6 Å²	145.6	60%	0.603	76%	0.764	S	S	*	*			cis	177.2	-172.2	15.4	-116.2	-164.8	-139.9	0	0	106.3
521	P	44	Very low	35.8	Very low	89 Å²	89	143.1 Å²	143.1	58%	0.578	76%	0.758	S	S	*	*			cis	-148.6	178.2	-34.4	39.2	-20.4	0	0	0	118.1
522	Y	30.2	Very low	36.7	Very low	193 Å²	193	143.1 Å²	143.1	76%	0.757	75%	0.751	S	S	*	*			trans	67.5	136.4	155.5	-69	-66.7	0	0	0	119.3
523	K	30	Very low	38	Very low	179 Å²	179	142.5 Å²	142.5	78%	0.778	74%	0.741	S	S	*	*			cis	-169.2	136.6	34.4	-130.4	169.1	-172.2	178.8	0	112.5
524	N	32.3	Very low	39.1	Very low	132 Å²	132	137.5 Å²	137.5	71%	0.706	73%	0.727	S	S	*	*			trans	56.5	127.3	140	-61.9	1.6	0	0	0	126.4
525	S	36.4	Very low	40.7	Very low	107 Å²	107	132.6 Å²	132.6	75%	0.748	71%	0.709	S	S	*	*				76.8	108.6	128.4	64.3	0	0	0	0	122.3
526	S	36	Very low	42.3	Very low	117 Å²	117	124.7 Å²	124.7	82%	0.818	69%	0.691	S	S	*	*				155.2	131.5	98.2	53.1	0	0	0	0	111.8
527	L	46.9	Very low	44.4	Very low	167 Å²	167	122.4 Å²	122.4	87%	0.874	69%	0.686	S	S	*	*			trans	-68	157.8	171.9	-86.1	91.8	0	0	0	111.4
528	P	48.5	Very low	46.1	Very low	112 Å²	112	116 Å²	116	73%	0.727	67%	0.666	S	S	*	*			trans	-119.9	141.9	142.8	33.3	-20.9	0	0	0	113.1	A530	P528-A530 PolarHBondContact O-N 3.44Å
529	L	48.3	Very low	48.1	Very low	151 Å²	151	112.8 Å²	112.8	79%	0.791	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.6	18.6	-176.5	-125.6	73.8	0	0	0	117.5
530	A	49.3	Very low	50.3	Low	77 Å²	77	110 Å²	110	64%	0.636	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-16.2	-168.9	0	0	0	0	0	115.2	P528	P528-A530 PolarHBondContact O-N 3.44Å
531	A	47.6	Very low	52.3	Low	86 Å²	86	106.7 Å²	106.7	71%	0.711	64%	0.641	S	S	*	*	H	α-helix	trans	-80.4	-22.7	-173	0	0	0	0	0	114.4
532	I	55.1	Low	53.8	Low	139 Å²	139	107.9 Å²	107.9	71%	0.713	64%	0.641	S	S	*	*	H	α-helix	trans	-85	-33.2	-173	-58.4	175.9	0	0	0	111.2	A536	I532-A536 PolarHBondContact O-N 2.82Å
533	I	57.5	Low	56	Low	123 Å²	123	103.1 Å²	103.1	63%	0.631	63%	0.628	S	S	*	*	H	α-helix	trans	-75.9	-37	-179.6	-56.6	174.4	0	0	0	110.8	G535 A536 V537	I533-G535 PolarHBondContact O-N 3.48Å; I533-A536 PolarHBondContact O-N 3.26Å; I533-V537 WeakPolarHBondContact O-CG2 3.39Å; I533-V537 PolarHBondContact O-N 2.98Å
534	G	53.8	Low	58.3	Low	48 Å²	48	100.2 Å²	100.2	50%	0.495	62%	0.618	S	S	.	*	H	α-helix	trans	-65.9	-36	176.5	0	0	0	0	0	113.8	A538	G534-A538 PolarHBondContact O-N 3.47Å
535	G	61.6	Low	60.2	Low	37 Å²	37	99.8 Å²	99.8	38%	0.381	62%	0.615	S	S	.	*	H	α-helix	trans	-68.4	-36.6	177.9	0	0	0	0	0	113.5	I533 L539	I533-G535 PolarHBondContact O-N 3.48Å; G535-L539 PolarHBondContact O-N 3.3Å
536	A	60.3	Low	61.9	Low	54 Å²	54	97.5 Å²	97.5	45%	0.446	60%	0.603	S	S	.	*	H	α-helix	trans	-71.2	-38	-179.7	0	0	0	0	0	112.7	I532 I533 L539 L540	I532-A536 PolarHBondContact O-N 2.82Å; I533-A536 PolarHBondContact O-N 3.26Å; A536-L539 PolarHBondContact O-N 3.49Å; A536-L540 WeakPolarHBondContact O-CG 3.05Å; A536-L540 PolarHBondContact O-N 3.37Å; A536-L540 VanDerWaalsContact O-N 3.14Å
537	V	71.6	Confident	63.7	Low	93 Å²	93	96.2 Å²	96.2	56%	0.564	59%	0.587	S	S	*	*	H	α-helix	trans	-69.3	-38.8	178	177.8	0	0	0	0	111.3	I533 L540 A541	I533-V537 WeakPolarHBondContact O-CG2 3.39Å; I533-V537 PolarHBondContact O-N 2.98Å; V537-L540 PolarHBondContact O-N 3.4Å; V537-A541 WeakPolarHBondContact O-CB 3.41Å; V537-A541 PolarHBondContact O-N 3.37Å
538	A	67.4	Low	65	Low	53 Å²	53	92.2 Å²	92.2	44%	0.438	57%	0.569	S	S	.	*	H	α-helix	trans	-64.1	-40.7	176.2	0	0	0	0	0	112.3	G534 A541 I542	G534-A538 PolarHBondContact O-N 3.47Å; A538-A541 PolarHBondContact O-N 3.12Å; A538-I542 WeakPolarHBondContact O-CD1 3.24Å; A538-I542 VanDerWaalsContact O-CG1 3.24Å; A538-I542 WeakPolarHBondContact O-CG1 3.22Å; A538-I542 PolarHBondContact O-N 3.35Å
539	L	71	Confident	65.8	Low	110 Å²	110	90.5 Å²	90.5	58%	0.576	56%	0.558	S	S	*	*	H	α-helix	trans	-66	-40.5	176.8	-85.5	161.4	0	0	0	112.4	G535 A536 I542 I543	G535-L539 PolarHBondContact O-N 3.3Å; A536-L539 PolarHBondContact O-N 3.49Å; L539-I542 PolarHBondContact O-N 3.13Å; L539-I543 WeakPolarHBondContact O-CD1 3.07Å; L539-I543 VanDerWaalsContact O-CG1 3.28Å; L539-I543 WeakPolarHBondContact O-CG1 3.34Å; L539-I543 PolarHBondContact O-N 3.31Å; L539-I543 VanDerWaalsContact O-N 3.07Å
540	L	76.5	Confident	66.8	Low	114 Å²	114	90.6 Å²	90.6	60%	0.597	55%	0.548	S	S	*	.	H	α-helix	trans	-67.2	-37.8	176.1	-73	170.4	0	0	0	112.3	A536 V537 I543 M544	A536-L540 WeakPolarHBondContact O-CG 3.05Å; A536-L540 PolarHBondContact O-N 3.37Å; A536-L540 VanDerWaalsContact O-N 3.14Å; V537-L540 PolarHBondContact O-N 3.4Å; L540-I543 PolarHBondContact O-N 2.89Å; L540-M544 WeakPolarHBondContact O-CB 3.06Å; L540-M544 WeakPolarHBondContact O-CG 3.23Å; L540-M544 PolarHBondContact O-N 3.44Å
541	A	73.2	Confident	67.6	Low	59 Å²	59	94 Å²	94	49%	0.488	55%	0.546	S	S	.	.	H	α-helix	trans	-63.7	-40.8	174.7	0	0	0	0	0	112	V537 A538 M544 L545	V537-A541 WeakPolarHBondContact O-CB 3.41Å; V537-A541 PolarHBondContact O-N 3.37Å; A538-A541 PolarHBondContact O-N 3.12Å; A541-M544 PolarHBondContact O-N 3.42Å; A541-L545 WeakPolarHBondContact O-CB 3.27Å; A541-L545 PolarHBondContact O-N 3.48Å
542	I	76.4	Confident	68.4	Low	115 Å²	115	94.4 Å²	94.4	59%	0.59	54%	0.539	S	S	*	.	H	α-helix	trans	-64.9	-40.8	176.9	-68.3	164.7	0	0	0	111.1	A538 L539 L545 A546	A538-I542 WeakPolarHBondContact O-CD1 3.24Å; A538-I542 VanDerWaalsContact O-CG1 3.24Å; A538-I542 WeakPolarHBondContact O-CG1 3.22Å; A538-I542 PolarHBondContact O-N 3.35Å; L539-I542 PolarHBondContact O-N 3.13Å; I542-L545 PolarHBondContact O-N 3.06Å; I542-A546 WeakPolarHBondContact O-CB 3.09Å; I542-A546 PolarHBondContact O-N 3.24Å
543	I	75.8	Confident	68.5	Low	92 Å²	92	95.7 Å²	95.7	47%	0.472	54%	0.542	S	S	.	.	H	α-helix	trans	-67.6	-41.9	178.2	-67.4	165.5	0	0	0	111.1	L539 L540 A546 L547	L539-I543 WeakPolarHBondContact O-CD1 3.07Å; L539-I543 VanDerWaalsContact O-CG1 3.28Å; L539-I543 WeakPolarHBondContact O-CG1 3.34Å; L539-I543 PolarHBondContact O-N 3.31Å; L539-I543 VanDerWaalsContact O-N 3.07Å; L540-I543 PolarHBondContact O-N 2.89Å; I543-A546 PolarHBondContact O-N 3.14Å; I543-L547 HydrophobicContact CG2-CD1 4.16Å; I543-L547 WeakPolarHBondContact O-CG 3.04Å; I543-L547 PolarHBondContact O-N 2.85Å
544	M	78.3	Confident	68.4	Low	119 Å²	119	98.1 Å²	98.1	59%	0.586	54%	0.543	S	S	*	.	H	α-helix	trans	-64.5	-40.3	175.8	-74.4	-63.5	-70.4	0	0	111.9	L540 A541 A546 L547 V548	L540-M544 WeakPolarHBondContact O-CB 3.06Å; L540-M544 WeakPolarHBondContact O-CG 3.23Å; L540-M544 PolarHBondContact O-N 3.44Å; A541-M544 PolarHBondContact O-N 3.42Å; M544-A546 VanDerWaalsContact C-N 3.33Å; M544-A546 PolarHBondContact O-N 2.96Å; M544-L547 PolarHBondContact O-N 3.2Å; M544-L547 HydrophobicContact SD-CD1 4.45Å; M544-V548 WeakPolarHBondContact O-CG2 3.46Å; M544-V548 PolarHBondContact O-N 3.03Å
545	L	73.3	Confident	68.2	Low	122 Å²	122	99.8 Å²	99.8	64%	0.639	54%	0.541	S	S	*	.	H	α-helix	trans	-65.7	-38.4	176.2	-152	112.8	0	0	0	111.5	A541 I542 V548 C549	A541-L545 WeakPolarHBondContact O-CB 3.27Å; A541-L545 PolarHBondContact O-N 3.48Å; I542-L545 PolarHBondContact O-N 3.06Å; L545-V548 PolarHBondContact O-N 3.18Å; L545-C549 WeakPolarHBondContact O-CB 3.48Å; L545-C549 PolarHBondContact O-N 3.02Å; L545-C549 PolarHBondContact O-SG 3.22Å; L545-C549 VanDerWaalsContact O-SG 3.32Å
546	A	70.8	Confident	67.2	Low	59 Å²	59	100.5 Å²	100.5	49%	0.488	55%	0.548	S	S	.	.	H	α-helix	trans	-64.7	-38.9	174.4	0	0	0	0	0	112.3	I542 I543 M544 C549 W550	I542-A546 WeakPolarHBondContact O-CB 3.09Å; I542-A546 PolarHBondContact O-N 3.24Å; I543-A546 PolarHBondContact O-N 3.14Å; M544-A546 VanDerWaalsContact C-N 3.33Å; M544-A546 PolarHBondContact O-N 2.96Å; A546-C549 PolarHBondContact O-N 3.46Å; A546-W550 VanDerWaalsContact O-CB 3.28Å; A546-W550 WeakPolarHBondContact O-CB 3.14Å; A546-W550 PolarHBondContact O-N 3.23Å
547	L	73.9	Confident	66.3	Low	91 Å²	91	103 Å²	103	48%	0.476	56%	0.562	S	S	.	*	H	α-helix	trans	-69	-39.2	175.8	-75.7	168	0	0	0	112.4	I543 M544 W550 Y551	I543-L547 HydrophobicContact CG2-CD1 4.16Å; I543-L547 WeakPolarHBondContact O-CG 3.04Å; I543-L547 PolarHBondContact O-N 2.85Å; M544-L547 PolarHBondContact O-N 3.2Å; M544-L547 HydrophobicContact SD-CD1 4.45Å; L547-W550 PolarHBondContact O-N 3.07Å; L547-Y551 VanDerWaalsContact O-CB 3.3Å; L547-Y551 WeakPolarHBondContact O-CB 3.22Å; L547-Y551 PolarHBondContact O-N 3.39Å
548	V	73.9	Confident	64.7	Low	83 Å²	83	106 Å²	106	50%	0.503	57%	0.574	S	S	.	*	H	α-helix	trans	-65.8	-44.5	173.8	172.1	0	0	0	0	110.6	M544 L545 W550 Y551 V552	M544-V548 WeakPolarHBondContact O-CG2 3.46Å; M544-V548 PolarHBondContact O-N 3.03Å; L545-V548 PolarHBondContact O-N 3.18Å; V548-W550 VanDerWaalsContact C-N 3.32Å; V548-W550 PolarHBondContact O-N 2.9Å; V548-Y551 PolarHBondContact O-N 3.16Å; V548-V552 HydrophobicContact CG1-CG2 4.22Å; V548-V552 WeakPolarHBondContact O-CB 2.97Å; V548-V552 VanDerWaalsContact O-CG2 3.27Å; V548-V552 WeakPolarHBondContact O-CG2 3.39Å; V548-V552 PolarHBondContact O-N 3.44Å
549	C	65.4	Low	63.2	Low	75 Å²	75	112.7 Å²	112.7	51%	0.507	59%	0.594	S	S	.	*	H	α-helix	trans	-61.2	-40.7	174.4	-76	0	0	0	0	111.9	L545 A546 H553	L545-C549 WeakPolarHBondContact O-CB 3.48Å; L545-C549 PolarHBondContact O-N 3.02Å; L545-C549 PolarHBondContact O-SG 3.22Å; L545-C549 VanDerWaalsContact O-SG 3.32Å; A546-C549 PolarHBondContact O-N 3.46Å; C549-H553 WeakPolarHBondContact O-CB 3.03Å; C549-H553 PolarHBondContact O-N 3Å
550	W	70.8	Confident	61.7	Low	153 Å²	153	112 Å²	112	58%	0.58	60%	0.598	S	S	*	*	H	α-helix	trans	-66	-39.9	175.8	-175.5	73.7	0	0	0	112.1	A546 L547 V548 R554	A546-W550 VanDerWaalsContact O-CB 3.28Å; A546-W550 WeakPolarHBondContact O-CB 3.14Å; A546-W550 PolarHBondContact O-N 3.23Å; L547-W550 PolarHBondContact O-N 3.07Å; V548-W550 VanDerWaalsContact C-N 3.32Å; V548-W550 PolarHBondContact O-N 2.9Å; W550-R554 VanDerWaalsContact CZ2-NH1 3.27Å; W550-R554 VanDerWaalsContact O-CB 3.29Å; W550-R554 WeakPolarHBondContact O-CB 3.31Å; W550-R554 PolarHBondContact O-N 2.04Å
551	Y	66.3	Low	60.4	Low	150 Å²	150	115.3 Å²	115.3	59%	0.588	60%	0.603	S	S	*	*	H	α-helix	trans	-67.9	-45.6	176.8	-176.1	-101.6	0	0	0	112.4	L547 V548 R554 N555	L547-Y551 VanDerWaalsContact O-CB 3.3Å; L547-Y551 WeakPolarHBondContact O-CB 3.22Å; L547-Y551 PolarHBondContact O-N 3.39Å; V548-Y551 PolarHBondContact O-N 3.16Å; Y551-R554 PolarHBondContact O-N 3.08Å; Y551-N555 PolarHBondContact O-N 2.88Å; Y551-N555 PolarHBondContact OH-ND2 2.82Å
552	V	63.8	Low	59	Low	94 Å²	94	118.6 Å²	118.6	57%	0.57	61%	0.612	S	S	*	*	H	α-helix	trans	-65.2	-39.2	176.6	172	0	0	0	0	111.2	V548 G556	V548-V552 HydrophobicContact CG1-CG2 4.22Å; V548-V552 WeakPolarHBondContact O-CB 2.97Å; V548-V552 VanDerWaalsContact O-CG2 3.27Å; V548-V552 WeakPolarHBondContact O-CG2 3.39Å; V548-V552 PolarHBondContact O-N 3.44Å; V552-G556 WeakPolarHBondContact O-CA 3.38Å; V552-G556 PolarHBondContact O-N 2.91Å
553	H	57.1	Low	58	Low	165 Å²	165	114 Å²	114	76%	0.764	59%	0.59	S	S	*	*	H	α-helix	trans	-67.6	-36.5	176.2	-173.2	-98.6	0	0	0	112.2	C549	C549-H553 WeakPolarHBondContact O-CB 3.03Å; C549-H553 PolarHBondContact O-N 3Å
554	R	55.4	Low	56.4	Low	174 Å²	174	114.8 Å²	114.8	66%	0.657	60%	0.599	S	S	*	*	H	α-helix	trans	-77.2	-32.1	179.9	-167.2	172.5	-177.5	168.6	-0.1	113.4	W550 Y551	W550-R554 VanDerWaalsContact CZ2-NH1 3.27Å; W550-R554 VanDerWaalsContact O-CB 3.29Å; W550-R554 WeakPolarHBondContact O-CB 3.31Å; W550-R554 PolarHBondContact O-N 2.04Å; Y551-R554 PolarHBondContact O-N 3.08Å
555	N	49.2	Very low	54.8	Low	83 Å²	83	112 Å²	112	44%	0.444	58%	0.583	S	S	.	*	H	α-helix	trans	-97.7	6.5	177.4	-82.6	2.4	0	0	0	114.3	Y551 S557	Y551-N555 PolarHBondContact O-N 2.88Å; Y551-N555 PolarHBondContact OH-ND2 2.82Å; N555-S557 PolarHBondContact O-N 2.84Å
556	G	41.9	Very low	53.1	Low	53 Å²	53	113 Å²	113	55%	0.546	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-66.1	9.2	-178.5	0	0	0	0	0	116.3	V552 L558	V552-G556 WeakPolarHBondContact O-CA 3.38Å; V552-G556 PolarHBondContact O-N 2.91Å; G556-L558 VanDerWaalsContact C-N 3.32Å
557	S	40.9	Very low	51.6	Low	105 Å²	105	117.2 Å²	117.2	73%	0.734	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-84.9	3.2	176.2	71.6	0	0	0	0	114.4	N555	N555-S557 PolarHBondContact O-N 2.84Å
558	L	37.5	Very low	49.7	Very low	157 Å²	157	114.8 Å²	114.8	82%	0.822	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-98.3	-2.3	178.6	-81.6	166.4	0	0	0	115	G556	G556-L558 VanDerWaalsContact C-N 3.32Å
559	F	36.7	Very low	47.7	Very low	194 Å²	194	119.5 Å²	119.5	85%	0.851	60%	0.602	S	S	*	*			trans	-113.7	60.5	167.1	-87.2	-84.7	0	0	0	110.2	R561	F559-R561 PolarHBondContact O-N 3.07Å
560	S	38.7	Very low	46.4	Very low	94 Å²	94	125.1 Å²	125.1	66%	0.657	61%	0.613	S	S	*	*			trans	-68.4	91.6	150.3	-177.7	0	0	0	0	105.8	N562	S560-N562 PolarHBondContact O-N 3Å
561	R	49.1	Very low	44.6	Very low	184 Å²	184	126.7 Å²	126.7	69%	0.694	62%	0.618	S	S	*	*			trans	-59.6	99.8	158.3	-107.5	165.8	77.9	163.6	0.3	104.3	E113 F559 C563	E113-R561 IonicContact OE2-NH2 3.16Å; E113-R561 PolarHBondContact OE2-NH2 3.33Å; F559-R561 PolarHBondContact O-N 3.07Å; R561-C563 PolarHBondContact O-N 2.85Å
562	N	44.3	Very low	43.3	Very low	128 Å²	128	128 Å²	128	68%	0.684	63%	0.627	S	S	*	*			trans	-60.6	96.6	160.5	-85	-18.1	0	0	0	105.3	S560 T564	S560-N562 PolarHBondContact O-N 3Å; N562-T564 HydrophobicContact CB-CG2 4.47Å; N562-T564 PolarHBondContact O-N 3.1Å
563	C	54	Low	42.1	Very low	20 Å²	20	127.9 Å²	127.9	14%	0.135	62%	0.623	C	S	.	*			trans	-68.9	70.3	170.2	-85.9	0	0	0	0	108.5	N67 C92 R561 Y565	N67-C563 WeakPolarHBondContact OD1-CB 3.41Å; C92-C563 HydrophobicContact CB-CB 3.73Å; C92-C563 WeakPolarHBondContact CB-SG 3.39Å; C92-C563 WeakPolarHBondContact SG-CB 3.35Å; C92-C563 CovalentContact SG-SG 2.04Å; C92-C563 PolarHBondContact SG-SG 2.65Å; R561-C563 PolarHBondContact O-N 2.85Å; C563-Y565 VanDerWaalsContact C-N 3.29Å; C563-Y565 PolarHBondContact O-N 2.04Å; C563-Y565 VanDerWaalsContact O-N 3.14Å
564	T	43.6	Very low	40.8	Very low	107 Å²	107	128 Å²	128	66%	0.656	63%	0.63	S	S	*	*			trans	-80.4	86.6	166.3	50.3	0	0	0	0	106.7	N562 N566	N562-T564 HydrophobicContact CB-CG2 4.47Å; N562-T564 PolarHBondContact O-N 3.1Å; T564-N566 VanDerWaalsContact C-N 3.28Å; T564-N566 PolarHBondContact O-N 3.49Å
565	Y	43.4	Very low	39.6	Very low	61 Å²	61	126.5 Å²	126.5	24%	0.239	63%	0.625	C	S	.	*			trans	-65.2	96.2	166.7	-177.2	-103.4	0	0	0	107.4	Q112 C563 K567	Q112-Y565 HydrophobicContact CB-CE2 4.34Å; Q112-Y565 HydrophobicContact CG-CE2 4.05Å; Q112-Y565 PolarHBondContact NE2-OH 2.96Å; C563-Y565 VanDerWaalsContact C-N 3.29Å; C563-Y565 PolarHBondContact O-N 2.04Å; C563-Y565 VanDerWaalsContact O-N 3.14Å; Y565-K567 VanDerWaalsContact C-N 3.27Å; Y565-K567 HydrophobicContact CD1-CB 4.46Å; Y565-K567 HydrophobicContact CE1-CB 4.29Å; Y565-K567 HydrophobicContact CE1-CG 4.49Å; Y565-K567 PolarHBondContact O-N 3.41Å
566	N	37.7	Very low	38.6	Very low	142 Å²	142	127.2 Å²	127.2	76%	0.759	64%	0.642	S	S	*	*			trans	-62.9	101.4	161.2	-82.9	-28.3	0	0	0	105.2	T564 G568	T564-N566 VanDerWaalsContact C-N 3.28Å; T564-N566 PolarHBondContact O-N 3.49Å; N566-G568 VanDerWaalsContact C-N 3.3Å; N566-G568 PolarHBondContact O-N 3.49Å
567	K	39.4	Very low	38.1	Very low	148 Å²	148	132.5 Å²	132.5	64%	0.643	65%	0.652	S	S	*	*			trans	-45.5	107.1	165	-166.4	170.6	-170.9	168.4	0	104.6	Y565 R569	Y565-K567 VanDerWaalsContact C-N 3.27Å; Y565-K567 HydrophobicContact CD1-CB 4.46Å; Y565-K567 HydrophobicContact CE1-CB 4.29Å; Y565-K567 HydrophobicContact CE1-CG 4.49Å; Y565-K567 PolarHBondContact O-N 3.41Å; K567-R569 PolarHBondContact O-N 3.07Å
568	G	34.4	Very low	37.5	Very low	41 Å²	41	132.8 Å²	132.8	42%	0.423	66%	0.662	S	S	.	*			trans	-67.3	62.2	-179.6	0	0	0	0	0	109.1	N566 R570	N566-G568 VanDerWaalsContact C-N 3.3Å; N566-G568 PolarHBondContact O-N 3.49Å; G568-R570 PolarHBondContact O-N 3.31Å
569	R	32.4	Very low	37	Very low	182 Å²	182	128 Å²	128	69%	0.687	65%	0.65	S	S	*	*			trans	-73.4	81.4	158.3	-149	-176.4	-163	-175.8	7.3	102.2	K567 R571	K567-R569 PolarHBondContact O-N 3.07Å; R569-R571 HydrophobicContact CG-CG 4.16Å; R569-R571 PolarHBondContact O-N 3.09Å
570	R	38.7	Very low	37.1	Very low	193 Å²	193	125.8 Å²	125.8	73%	0.728	65%	0.653	S	S	*	*			trans	-59.6	78.4	150.1	-92.6	-175.9	175.3	172.6	0.3	105.2	D207 G568 K572	D207-R570 IonicContact OD2-NH1 3.29Å; G568-R570 PolarHBondContact O-N 3.31Å; R570-K572 PolarHBondContact O-N 3.41Å; R570-K572 VanDerWaalsContact O-N 3.09Å
571	R	32.7	Very low	36.6	Very low	185 Å²	185	130.6 Å²	130.6	70%	0.698	66%	0.661	S	S	*	*			trans	-58.3	111.6	161	-100.1	-177.4	170.1	168.9	-5	104	R569 D573	R569-R571 HydrophobicContact CG-CG 4.16Å; R569-R571 PolarHBondContact O-N 3.09Å; R571-D573 PolarHBondContact O-N 3.35Å
572	K	39	Very low	36.2	Very low	177 Å²	177	130.3 Å²	130.3	77%	0.77	67%	0.665	S	S	*	*	S	Bend	trans	11.8	105.8	133.3	-164.7	169.7	-175.1	175.3	0	112.4	R570	R570-K572 PolarHBondContact O-N 3.41Å; R570-K572 VanDerWaalsContact O-N 3.09Å
573	D	38.7	Very low	35.6	Very low	92 Å²	92	131.2 Å²	131.2	49%	0.492	67%	0.67	S	S	.	*			trans	58.5	94.1	162.4	-52.9	-48.6	0	0	0	116.7	R275 R571	R275-D573 IonicContact NH1-OD1 3.47Å; R275-D573 PolarHBondContact NH1-OD1 3.2Å; R571-D573 PolarHBondContact O-N 3.35Å
574	D	29	Very low	34.9	Very low	168 Å²	168	137.7 Å²	137.7	90%	0.898	70%	0.704	S	S	*	*			trans	-143.7	68.3	142.8	-85	-36.2	0	0	0	108	A576	D574-A576 PolarHBondContact O-N 2.82Å
575	Y	30.2	Very low	34.4	Very low	143 Å²	143	137.1 Å²	137.1	56%	0.561	70%	0.704	S	S	*	*			trans	-72	101.7	151	-109.7	-88.4	0	0	0	105.1	E577	Y575-E577 VanDerWaalsContact C-N 3.31Å; Y575-E577 PolarHBondContact O-N 3.38Å
576	A	27.5	Very low	33.8	Very low	97 Å²	97	141.9 Å²	141.9	80%	0.802	73%	0.732	S	S	*	*			trans	-60.9	99.2	168.3	0	0	0	0	0	108.2	D574 A578	D574-A576 PolarHBondContact O-N 2.82Å; A576-A578 PolarHBondContact O-N 2.76Å
577	E	31.1	Very low	33.5	Very low	164 Å²	164	143 Å²	143	77%	0.766	74%	0.737	S	S	*	*			trans	-52.5	126.2	154.9	-173	165.2	-152.2	0	0	107	Y575 G579	Y575-E577 VanDerWaalsContact C-N 3.31Å; Y575-E577 PolarHBondContact O-N 3.38Å; E577-G579 PolarHBondContact O-N 3.04Å
578	A	30.2	Very low	33.1	Very low	112 Å²	112	142.1 Å²	142.1	93%	0.926	74%	0.735	S	S	*	*			trans	-64.5	75.5	164.7	0	0	0	0	0	108.2	A576	A576-A578 PolarHBondContact O-N 2.76Å
579	G	27	Very low	33.1	Very low	56 Å²	56	147.5 Å²	147.5	58%	0.577	75%	0.753	S	S	*	*			trans	-107.7	108.8	166	0	0	0	0	0	106.7	E577 K581	E577-G579 PolarHBondContact O-N 3.04Å; G579-K581 PolarHBondContact O-N 3.28Å
580	T	37.4	Very low	33	Very low	148 Å²	148	148.2 Å²	148.2	91%	0.908	76%	0.755	S	S	*	*			trans	-51.6	100.9	178.3	47.8	0	0	0	0	111.4
581	K	29.4	Very low	32.9	Very low	194 Å²	194	147.2 Å²	147.2	84%	0.843	76%	0.759	S	S	*	*			trans	-96.8	86.9	165.3	-164.7	176.1	-177.7	-178.9	0	108.8	G579 D583	G579-K581 PolarHBondContact O-N 3.28Å; K581-D583 PolarHBondContact O-N 3.48Å
582	K	40.6	Very low	33.3	Very low	179 Å²	179	145.7 Å²	145.7	78%	0.778	77%	0.77	S	S	*	*			trans	19.4	72.3	149.2	-156.6	178.6	-174	180	0	116.6
583	D	31.8	Very low	33.2	Very low	147 Å²	147	142.5 Å²	142.5	79%	0.786	77%	0.77	S	S	*	*			trans	-111.1	117.6	151.1	-82.4	-31.5	0	0	0	107.5	K581 S585	K581-D583 PolarHBondContact O-N 3.48Å; D583-S585 PolarHBondContact O-N 3.39Å
584	N	38.2	Very low	33.2	Very low	156 Å²	156	146.5 Å²	146.5	83%	0.834	78%	0.784	S	S	*	*			trans	-78.8	60	-176.5	-78.5	-6.9	0	0	0	111.9
585	S	33.3	Very low	33.6	Very low	95 Å²	95	145.6 Å²	145.6	66%	0.664	77%	0.774	S	S	*	*			trans	-125.1	87	165.4	60.9	0	0	0	0	109.1	D583 L587	D583-S585 PolarHBondContact O-N 3.39Å; S585-L587 PolarHBondContact O-N 3.01Å
586	I	30.8	Very low	33.8	Very low	161 Å²	161	146.2 Å²	146.2	83%	0.826	78%	0.784	S	S	*	*			trans	-68.9	118.8	171.8	-64.4	169.4	0	0	0	107.6	E588	I586-E588 HydrophobicContact CG2-CB 4.48Å
587	L	32	Very low	34.3	Very low	164 Å²	164	148.2 Å²	148.2	86%	0.859	78%	0.78	S	S	*	*			trans	-105.4	101.6	161.1	-91.5	155.4	0	0	0	107	S585	S585-L587 PolarHBondContact O-N 3.01Å
588	E	30.6	Very low	34.6	Very low	131 Å²	131	146.1 Å²	146.1	61%	0.612	78%	0.78	S	S	*	*			trans	-82.9	117.8	173.3	-166.7	-177.2	169.3	0	0	108.2	I586 R590	I586-E588 HydrophobicContact CG2-CB 4.48Å; E588-R590 HydrophobicContact CG-CG 4.47Å; E588-R590 IonicContact OE1-CZ 2.83Å; E588-R590 IonicContact OE1-NE 2.75Å; E588-R590 PolarHBondContact OE1-NE 3.37Å; E588-R590 IonicContact OE1-NH2 2.92Å; E588-R590 PolarHBondContact OE1-NH2 3.28Å
589	I	34.7	Very low	35.2	Very low	154 Å²	154	148.6 Å²	148.6	79%	0.79	78%	0.776	S	S	*	*			trans	-86	114	173.8	-60.8	171.4	0	0	0	107.4
590	R	30.3	Very low	35.8	Very low	196 Å²	196	153.4 Å²	153.4	74%	0.74	79%	0.789	S	S	*	*			trans	-116.7	127.4	162.4	-68	-164.1	-179	-163.1	1.2	109.5	E588	E588-R590 HydrophobicContact CG-CG 4.47Å; E588-R590 IonicContact OE1-CZ 2.83Å; E588-R590 IonicContact OE1-NE 2.75Å; E588-R590 PolarHBondContact OE1-NE 3.37Å; E588-R590 IonicContact OE1-NH2 2.92Å; E588-R590 PolarHBondContact OE1-NH2 3.28Å
591	E	37.1	Very low	36.2	Very low	172 Å²	172	155.4 Å²	155.4	80%	0.804	79%	0.787	S	S	*	*	S	Bend	trans	33.6	118.6	162.3	-64.6	-179.1	167.8	0	0	120.8	S593	E591-S593 PolarHBondContact O-N 3.05Å
592	T	40.4	Very low	36.4	Very low	153 Å²	153	153.7 Å²	153.7	94%	0.939	79%	0.787	S	S	*	*	S	Bend	trans	52.9	16.2	148.7	62.1	0	0	0	0	121.8
593	S	37.5	Very low	36.5	Very low	110 Å²	110	151.1 Å²	151.1	77%	0.769	79%	0.788	S	S	*	*			trans	-155	146.3	159.5	57.8	0	0	0	0	112.8	E591	E591-S593 PolarHBondContact O-N 3.05Å
594	F	39	Very low	36.7	Very low	177 Å²	177	150.5 Å²	150.5	78%	0.776	79%	0.789	S	S	*	*			trans	-111.2	124.6	177.2	-152.4	-86.2	0	0	0	108.2	M596	F594-M596 HydrophobicContact CD1-CE 3.96Å; F594-M596 HydrophobicContact CD1-CG 4.11Å; F594-M596 HydrophobicContact CE1-CE 3.78Å; F594-M596 HydrophobicContact CE1-CG 4Å
595	Q	37.2	Very low	36.6	Very low	149 Å²	149	147.8 Å²	147.8	70%	0.696	78%	0.783	S	S	*	*			trans	-122.8	127.8	176.7	-165.1	176.1	19.2	0	0	109.4
596	M	34.7	Very low	36.9	Very low	155 Å²	155	153.4 Å²	153.4	76%	0.764	80%	0.795	S	S	*	*			trans	-104	135.1	174.1	-62.8	-177.3	-161.9	0	0	109.5	F594	F594-M596 HydrophobicContact CD1-CE 3.96Å; F594-M596 HydrophobicContact CD1-CG 4.11Å; F594-M596 HydrophobicContact CE1-CE 3.78Å; F594-M596 HydrophobicContact CE1-CG 4Å
597	I	37.5	Very low	37.1	Very low	140 Å²	140	152.8 Å²	152.8	72%	0.718	79%	0.789	S	S	*	*			trans	-118.1	129.3	176.1	-54.8	172.8	0	0	0	108.5
598	P	36.3	Very low	37.3	Very low	119 Å²	119	152.9 Å²	152.9	77%	0.773	79%	0.785	S	S	*	*			trans	-76.6	144	-179.9	28.9	-32.4	0	0	0	112.6	N600	P598-N600 PolarHBondContact O-N 3.48Å
599	I	43.8	Very low	37.5	Very low	165 Å²	165	155.2 Å²	155.2	85%	0.846	79%	0.793	S	S	*	*			trans	-94.9	85.5	175	-56	170.4	0	0	0	108
600	N	38.5	Very low	37.5	Very low	156 Å²	156	153 Å²	153	83%	0.834	79%	0.787	S	S	*	*			trans	-150.6	127.4	157.8	-107.4	-12.7	0	0	0	110.2	P598 L602	P598-N600 PolarHBondContact O-N 3.48Å; N600-L602 PolarHBondContact O-N 3.39Å
601	H	46.3	Very low	37.7	Very low	190 Å²	190	151 Å²	151	88%	0.88	79%	0.789	S	S	*	*			trans	-75.4	99.7	178.5	-77.7	-75.3	0	0	0	110.4
602	L	35	Very low	37.3	Very low	159 Å²	159	150.6 Å²	150.6	83%	0.832	79%	0.787	S	S	*	*	S	Bend	trans	-172.3	145.4	147.9	-95.2	148.3	0	0	0	108.5	N600 V604	N600-L602 PolarHBondContact O-N 3.39Å; L602-V604 PolarHBondContact O-N 3.06Å
603	P	41.2	Very low	36.9	Very low	124 Å²	124	149.4 Å²	149.4	81%	0.805	78%	0.78	S	S	*	*			trans	-86.5	110.9	-163.7	33.3	-29.3	0	0	0	110.7
604	V	36	Very low	36.6	Very low	134 Å²	134	151.2 Å²	151.2	81%	0.812	78%	0.779	S	S	*	*			trans	-130.4	141.4	167.5	-174.4	0	0	0	0	108.6	L602	L602-V604 PolarHBondContact O-N 3.06Å
605	S	37.6	Very low	36.3	Very low	100 Å²	100	151.2 Å²	151.2	70%	0.699	78%	0.779	S	S	*	*			trans	-52.5	145.5	-166.4	40.8	0	0	0	0	115.7	E607	S605-E607 PolarHBondContact O-N 3.04Å
606	K	38.1	Very low	36.2	Very low	213 Å²	213	149.5 Å²	149.5	93%	0.926	78%	0.781	S	S	*	*			trans	-57.4	111.3	175.2	-70.7	178	175.3	-177.8	0	111.3
607	E	36.3	Very low	36.1	Very low	148 Å²	148	148.2 Å²	148.2	69%	0.692	78%	0.784	S	S	*	*			trans	-117	123.8	156	-74.5	-176.9	168.7	0	0	108.4	S605 F609	S605-E607 PolarHBondContact O-N 3.04Å; E607-F609 HydrophobicContact CB-CE2 4.49Å
608	E	34.9	Very low	35.8	Very low	165 Å²	165	149.6 Å²	149.6	77%	0.771	79%	0.793	S	S	*	*			trans	-79.2	116.7	176.4	-79.7	178.2	156.3	0	0	109.5
609	F	35.3	Very low	35.8	Very low	181 Å²	181	147.3 Å²	147.3	79%	0.794	79%	0.791	S	S	*	*			trans	-92.3	109.1	168.7	-63.1	-80.5	0	0	0	109.2	E607	E607-F609 HydrophobicContact CB-CE2 4.49Å
610	V	35.2	Very low	35.2	Very low	108 Å²	108	147.3 Å²	147.3	66%	0.655	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-100.9	121.6	171.5	179.8	0	0	0	0	108.6
611	I	33.4	Very low	34.8	Very low	154 Å²	154	145 Å²	145	79%	0.79	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-98.9	118.8	174.6	-58.7	175.2	0	0	0	108.5
612	H	29.8	Very low	34	Very low	163 Å²	163	143.4 Å²	143.4	76%	0.755	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-88.5	132.6	171.1	-74.9	-65.7	0	0	0	111.1
613	T	32.5	Very low	33.6	Very low	128 Å²	128	146.6 Å²	146.6	79%	0.785	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-78.2	132.6	172.8	51.5	0	0	0	0	111.1	F615	T613-F615 PolarHBondContact O-N 3.23Å
614	I	31.2	Very low	33	Very low	148 Å²	148	150.5 Å²	150.5	76%	0.759	79%	0.792	S	S	*	*	S	Bend	trans	-86.5	3.3	-169.2	-58.8	171.9	0	0	0	113.8
615	F	30.8	Very low	32.3	Very low	177 Å²	177	149.7 Å²	149.7	78%	0.776	79%	0.792	S	S	*	*			trans	-139.8	125.8	176	-66.1	-79.5	0	0	0	111.9	T613	T613-F615 PolarHBondContact O-N 3.23Å
616	P	35	Very low	32.1	Very low	113 Å²	113	149.2 Å²	149.2	73%	0.734	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-81.2	135.7	168	30.9	-28.9	0	0	0	110.3	N618	P616-N618 PolarHBondContact O-N 3.22Å
617	P	32.9	Very low	31.6	Very low	128 Å²	128	146.9 Å²	146.9	83%	0.831	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-72.2	127.3	167	28.3	-29.2	0	0	0	109.4
618	N	32.5	Very low	31.1	Very low	168 Å²	168	147.2 Å²	147.2	90%	0.898	79%	0.786	S	S	*	*	S	Bend	trans	-58.7	136.1	174.6	-76.7	-32.9	0	0	0	111.8	P616	P616-N618 PolarHBondContact O-N 3.22Å
619	G	35.8	Very low	30.8	Very low	72 Å²	72	146.5 Å²	146.5	74%	0.742	78%	0.782	S	S	*	*			trans	109.7	76.8	152.4	0	0	0	0	0	115.7
620	L	30.7	Very low	30.3	Very low	164 Å²	164	145.3 Å²	145.3	86%	0.859	78%	0.784	S	S	*	*			trans	-139.3	101.7	149.6	-98.6	136.8	0	0	0	109.1	L622	L620-L622 PolarHBondContact O-N 3.5Å
621	S	30.6	Very low	30	Very low	108 Å²	108	144.7 Å²	144.7	76%	0.755	79%	0.785	S	S	*	*			trans	-56.7	119	160.9	165.4	0	0	0	0	108.8
622	L	29.5	Very low	29.8	Very low	156 Å²	156	144 Å²	144	82%	0.817	78%	0.781	S	S	*	*			trans	-127.9	126.4	161.8	-84.4	168.1	0	0	0	110.3	L620	L620-L622 PolarHBondContact O-N 3.5Å
623	Y	27.1	Very low	29.8	Very low	226 Å²	226	143.4 Å²	143.4	89%	0.886	78%	0.783	S	S	*	*			trans	-41.1	135.5	178.8	-101.8	-110.8	0	0	0	114.2
624	K	26.9	Very low	29.5	Very low	206 Å²	206	144.3 Å²	144.3	90%	0.896	78%	0.784	S	S	*	*			trans	-86.6	131.4	167.1	-142.4	178.2	-171.9	-179.4	0	108.5
625	S	23.2	Very low	29.3	Very low	117 Å²	117	149.3 Å²	149.3	82%	0.818	79%	0.793	S	S	*	*			trans	-137.9	143	153.3	-163.4	0	0	0	0	109
626	P	31.5	Very low	29.2	Very low	91 Å²	91	146.3 Å²	146.3	59%	0.591	79%	0.794	S	S	*	*			trans	-107.3	170.4	-148.9	39.1	-30.8	0	0	0	114.9
627	H	28	Very low	28.9	Very low	164 Å²	164	151.9 Å²	151.9	76%	0.759	80%	0.802	S	S	*	*			trans	74.7	123.1	167.4	-58.1	-57.9	0	0	0	115.2
628	N	26.6	Very low	28.6	Very low	155 Å²	155	157.7 Å²	157.7	83%	0.829	81%	0.807	S	S	*	*				-148.7	145.1	51.9	-149	7.1	0	0	0	113.5
629	E	27.7	Very low	28.4	Very low	149 Å²	149	156.6 Å²	156.6	70%	0.696	80%	0.801	S	S	*	*			trans	-72	145.4	-177.1	-61.9	171.4	142.1	0	0	112.7
630	N	25.9	Very low	28	Very low	156 Å²	156	158.7 Å²	158.7	83%	0.834	81%	0.805	S	S	*	*				-177.3	140.2	110.9	-98	-33.8	0	0	0	114.6
631	S	28.1	Very low	27.8	Very low	95 Å²	95	154.1 Å²	154.1	66%	0.664	80%	0.797	S	S	*	*			trans	82.5	86.3	150.8	-171.2	0	0	0	0	117.7
632	I	29.3	Very low	27.8	Very low	140 Å²	140	156.8 Å²	156.8	72%	0.718	80%	0.801	S	S	*	*				81.9	111.1	90.2	-71.8	161.6	0	0	0	109.6
633	N	29.4	Very low	27.8	Very low	150 Å²	150	155 Å²	155	80%	0.802	80%	0.799	S	S	*	*				-175.3	151.5	61.7	-122.7	-19.5	0	0	0	112.5
634	N	26.4	Very low	27.6	Very low	148 Å²	148	151.1 Å²	151.1	79%	0.791	79%	0.794	S	S	*	*			trans	-66.2	147.8	-173.2	-70.1	-42	0	0	0	116.4
635	R	28.2	Very low	27.8	Very low	252 Å²	252	145.8 Å²	145.8	95%	0.951	78%	0.782	S	S	*	*				-167.3	140.3	118.8	-104.7	167.1	-173.7	172.6	2.4	112.9
636	S	28.3	Very low	28	Very low	115 Å²	115	146.8 Å²	146.8	80%	0.804	78%	0.778	S	S	*	*			trans	-82.1	153	-166.1	48	0	0	0	0	115.4
637	Y	27.7	Very low	27.9	Very low	230 Å²	230	150.6 Å²	150.6	90%	0.902	79%	0.788	S	S	*	*			trans	-31.9	140	166.4	-93.2	-103	0	0	0	117.2
638	R	28.1	Very low	27.8	Very low	249 Å²	249	147.2 Å²	147.2	94%	0.94	78%	0.783	S	S	*	*				-155.1	149.7	125.8	-113.2	-179.3	-173.6	174.5	2.2	113.5
639	D	27	Very low	27.9	Very low	145 Å²	145	148.6 Å²	148.6	78%	0.775	78%	0.784	S	S	*	*			trans	-63.5	161.2	-174.1	-132.2	-26.3	0	0	0	115.2
640	S	27.8	Very low	28	Very low	117 Å²	117	151 Å²	151	82%	0.818	82%	0.818	S	S	*	*			trans	77.5	127.4	161.6	-46.9	0	0	0	0	118.8
641	G	27.3	Very low	28.2	Very low	67 Å²	67	150.8 Å²	150.8	69%	0.691	82%	0.817	S	S	*	*			trans	130.1	98.1	153.2	0	0	0	0	0	113.5	P643	G641-P643 WeakPolarHBondContact O-CD 3.49Å
642	I	29.9	Very low	28.2	Very low	164 Å²	164	153.7 Å²	153.7	84%	0.841	83%	0.825	S	S	*	*			trans	-61.7	134.4	154.1	-62.8	164.1	0	0	0	107.4
643	P	28.8	Very low	28.1	Very low	118 Å²	118	154.5 Å²	154.5	77%	0.766	83%	0.831	S	S	*	*			trans	-120.2	144.7	149.8	25.6	-7.1	0	0	0	111.7	G641	G641-P643 WeakPolarHBondContact O-CD 3.49Å
644	D	24.5	Very low	28	Very low	146 Å²	146	154.8 Å²	154.8	78%	0.781	83%	0.832	S	S	*	*			trans	-66.8	151.8	-179.2	-74.8	-48.2	0	0	0	114.4
645	S	30	Very low	28.1	Very low	94 Å²	94	155.2 Å²	155.2	66%	0.657	84%	0.835	S	S	*	*			trans	26.9	122.6	147.3	59.7	0	0	0	0	120.2
646	D	26.6	Very low	28.1	Very low	137 Å²	137	148.7 Å²	148.7	73%	0.733	83%	0.827	S	S	*	*				178.6	130.7	112.5	-91.5	-26.1	0	0	0	111.5
647	H	29.5	Very low	28.1	Very low	171 Å²	171	151.1 Å²	151.1	79%	0.792	83%	0.829	S	S	*	*			trans	154.3	95.2	134.3	-77.2	-50.8	0	0	0	113
648	S	26.8	Very low	28.1	Very low	93 Å²	93	145.1 Å²	145.1	65%	0.65	82%	0.823	S	S	*	*				38.1	120.3	124.7	58.4	0	0	0	0	120.7
649	H	28.9	Very low	28.1	Very low	184 Å²	184	136.4 Å²	136.4	85%	0.852	81%	0.813	S	S	*	*				30.5	117	128.6	-69.8	-65.3	0	0	0	118.8
650	S	30.5	Very low	28.2	Very low	201 Å²	201	135.6 Å²	135.6	100%	1.406	82%	0.817	S	S	*	*				-153.4	0	125.4	-65.2	0	0	0	0	108

Retrieved 650 of 650 residues in 552.1 ms (Link to these results)

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