A0A096MEY5_POEFO Loading...

GLI pathosis related 1

AlphaFold DB , UniProt , Accession A0A096MEY5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 237 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	T	55.2	Low	49.5	Very low	204 Å²	204	161.9 Å²	161.9	100%	1.252	85%	0.851	S	S	*	*				0	42.7	0	37.5	0	0	0	0	112.7
2	A	49.5	Very low	49.4	Very low	96 Å²	96	167.3 Å²	167.3	79%	0.793	85%	0.851	S	S	*	*			trans	-143.7	38.1	-179.2	0	0	0	0	0	112.2
3	L	49.4	Very low	49.4	Very low	180 Å²	180	163.8 Å²	163.8	94%	0.942	84%	0.843	S	S	*	*	S	Bend	trans	-139.3	31	179.2	-130.4	100.3	0	0	0	112.4
4	C	50.8	Low	49.5	Very low	129 Å²	129	161.4 Å²	161.4	87%	0.872	84%	0.839	S	S	*	*	S	Bend	trans	-145.5	47.7	-179.7	-154.8	0	0	0	0	111.4
5	R	48.9	Very low	49.8	Very low	228 Å²	228	159.7 Å²	159.7	86%	0.86	83%	0.831	S	S	*	*	S	Bend	trans	-144.5	-8.6	171.9	-113.2	176.8	-177	-133.5	0.3	116.5
6	E	48.6	Very low	50.3	Low	157 Å²	157	155.9 Å²	155.9	73%	0.734	82%	0.816	S	S	*	*	S	Bend	trans	-101.5	6	-177.4	-63.8	-59.7	146.8	0	0	114.4
7	L	46.5	Very low	50.5	Low	152 Å²	152	155.1 Å²	155.1	80%	0.796	81%	0.812	S	S	*	*	S	Bend	trans	-111.5	26.2	-178	-145.6	83.5	0	0	0	113.9
8	K	48.8	Very low	50.7	Low	189 Å²	189	154.2 Å²	154.2	82%	0.822	81%	0.808	S	S	*	*	S	Bend	trans	-123.5	1.9	171.9	-93.3	-175.2	174.8	-179.1	0	114
9	M	49.3	Very low	50.9	Low	154 Å²	154	153.5 Å²	153.5	76%	0.759	80%	0.804	S	S	*	*	S	Bend	trans	-108.4	13.3	-179.6	-81.6	-89.1	-67.9	0	0	113
10	L	48.8	Very low	51	Low	142 Å²	142	149 Å²	149	74%	0.743	80%	0.797	S	S	*	*	S	Bend	trans	-117.7	5.4	177.4	-76.8	163.8	0	0	0	113.6
11	L	48.4	Very low	51.1	Low	150 Å²	150	148 Å²	148	79%	0.785	80%	0.796	S	S	*	*	S	Bend	trans	-105.9	6.6	-179.2	-104.7	135.2	0	0	0	114.4
12	W	48.5	Very low	51.1	Low	226 Å²	226	143.5 Å²	143.5	86%	0.856	77%	0.773	S	S	*	*	S	Bend	trans	-125.8	13.3	-179.2	-80.2	81.1	0	0	0	114.3
13	V	49	Very low	51.7	Low	123 Å²	123	142.5 Å²	142.5	75%	0.745	76%	0.764	S	S	*	*			trans	-129.1	37.2	173.8	-158.5	0	0	0	0	111.1
14	V	51.1	Low	52.5	Low	130 Å²	130	138.9 Å²	138.9	79%	0.788	75%	0.749	S	S	*	*			trans	-98.2	62.1	141.3	-171.3	0	0	0	0	105	V16	V14-V16 VanDerWaalsContact C-N 3.33Å; V14-V16 PolarHBondContact O-N 3.03Å
15	L	54.5	Low	54.1	Low	136 Å²	136	138.9 Å²	138.9	71%	0.712	75%	0.746	S	S	*	*			trans	-63.6	108.8	163.4	-146.9	100.1	0	0	0	103.7	L17	L15-L17 PolarHBondContact O-N 2.99Å
16	V	57.3	Low	56.3	Low	99 Å²	99	129.4 Å²	129.4	60%	0.6	71%	0.712	S	S	*	*			trans	-52.7	92.5	173	175.6	0	0	0	0	107.1	V14 D18	V14-V16 VanDerWaalsContact C-N 3.33Å; V14-V16 PolarHBondContact O-N 3.03Å; V16-D18 HydrophobicContact CG1-CB 3.7Å; V16-D18 WeakPolarHBondContact CG1-OD2 3.18Å; V16-D18 PolarHBondContact O-N 2.75Å
17	L	54.5	Low	58.5	Low	141 Å²	141	123.8 Å²	123.8	74%	0.738	69%	0.689	S	S	*	*			trans	-75.3	67.4	154.8	-78.2	166.1	0	0	0	105.5	L15 L19	L15-L17 PolarHBondContact O-N 2.99Å; L17-L19 PolarHBondContact O-N 2.81Å
18	D	53.8	Low	60.8	Low	140 Å²	140	121.7 Å²	121.7	75%	0.749	68%	0.675	S	S	*	*			trans	-63.2	82.9	148.2	-85	-24.9	0	0	0	104.2	V16 G20	V16-D18 HydrophobicContact CG1-CB 3.7Å; V16-D18 WeakPolarHBondContact CG1-OD2 3.18Å; V16-D18 PolarHBondContact O-N 2.75Å; D18-G20 PolarHBondContact O-N 2.69Å
19	L	53.5	Low	63.1	Low	140 Å²	140	113.2 Å²	113.2	73%	0.733	64%	0.639	S	S	*	*			trans	-59.2	88.2	155.3	-72.5	167.6	0	0	0	103.8	L17 V21	L17-L19 PolarHBondContact O-N 2.81Å; L19-V21 PolarHBondContact O-N 2.75Å
20	G	53.5	Low	65.4	Low	64 Å²	64	110.6 Å²	110.6	66%	0.66	63%	0.631	S	S	*	*			trans	-61.5	80	171.6	0	0	0	0	0	107.7	D18 S22	D18-G20 PolarHBondContact O-N 2.69Å; G20-S22 PolarHBondContact O-N 2.83Å
21	V	54.1	Low	67.7	Low	129 Å²	129	106.9 Å²	106.9	78%	0.782	61%	0.613	S	S	*	*			trans	-65.5	87.9	160	-179.1	0	0	0	0	103.7	L19 A23	L19-V21 PolarHBondContact O-N 2.75Å; V21-A23 PolarHBondContact O-N 2.81Å
22	S	54.5	Low	70	Confident	109 Å²	109	106.8 Å²	106.8	76%	0.762	61%	0.608	S	S	*	*			trans	-62.4	97.4	167.8	-65.7	0	0	0	0	105.2	G20 V24	G20-S22 PolarHBondContact O-N 2.83Å; S22-V24 PolarHBondContact O-N 3.08Å; S22-V24 VanDerWaalsContact O-N 3.08Å
23	A	62.4	Low	72.4	Confident	74 Å²	74	104.1 Å²	104.1	61%	0.612	60%	0.602	S	S	*	*			trans	-54.2	120.3	171.3	0	0	0	0	0	106.5	V21 T25	V21-A23 PolarHBondContact O-N 2.81Å; A23-T25 PolarHBondContact O-N 3.34Å
24	V	66.6	Low	74.8	Confident	104 Å²	104	98.5 Å²	98.5	63%	0.63	57%	0.568	S	S	*	*			trans	-60	108.1	176.1	174.6	0	0	0	0	106.7	S22 L106	S22-V24 PolarHBondContact O-N 3.08Å; S22-V24 VanDerWaalsContact O-N 3.08Å; V24-L106 HydrophobicContact CB-CD2 4.01Å; V24-L106 HydrophobicContact CG1-CD1 4.39Å; V24-L106 HydrophobicContact CG1-CD2 4.09Å; V24-L106 HydrophobicContact CG1-CG 4.14Å
25	T	84.5	Confident	77	Confident	129 Å²	129	94.1 Å²	94.1	79%	0.791	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-89.4	117.8	178.3	44	0	0	0	0	108.2	A23	A23-T25 PolarHBondContact O-N 3.34Å
26	L	93.3	Very high	79.1	Confident	30 Å²	30	89.4 Å²	89.4	16%	0.157	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-75.1	144.4	173.2	-75.2	173.4	0	0	0	110.4	L106 F109 V154 A170	L26-L106 HydrophobicContact CD1-CD1 3.95Å; L26-L106 HydrophobicContact CD2-CD1 3.69Å; L26-L106 HydrophobicContact CG-CD1 3.9Å; L26-F109 HydrophobicContact CD2-CD1 3.67Å; L26-F109 HydrophobicContact CD2-CE1 4.05Å; L26-V154 HydrophobicContact CB-CG1 4Å; L26-V154 HydrophobicContact CD1-CG1 4.34Å; L26-V154 HydrophobicContact CD1-CG2 3.93Å; L26-V154 HydrophobicContact CD2-CG1 4.02Å; L26-V154 HydrophobicContact CD2-CG2 3.94Å; L26-V154 HydrophobicContact CG-CG1 4.36Å; L26-V154 HydrophobicContact CG-CG2 4.49Å; L26-A170 HydrophobicContact CD1-CB 4.49Å
27	P	95.6	Very high	81.1	Confident	38 Å²	38	88.1 Å²	88.1	25%	0.247	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-62.7	143.4	179	25.4	-33.6	0	0	0	111.5	D31 F34 V154	P27-D31 HydrophobicContact CB-CB 4.31Å; P27-F34 HydrophobicContact CB-CB 3.65Å; P27-F34 HydrophobicContact CB-CD2 3.78Å; P27-F34 HydrophobicContact CB-CG 3.78Å; P27-F34 HydrophobicContact CG-CB 4.21Å; P27-F34 HydrophobicContact CG-CD2 3.38Å; P27-F34 HydrophobicContact CG-CE2 3.91Å; P27-F34 HydrophobicContact CG-CG 3.94Å; P27-V154 HydrophobicContact CG-CG1 3.92Å
28	Q	95.6	Very high	83.2	Confident	109 Å²	109	81.4 Å²	81.4	51%	0.509	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-83.2	159.1	173	-62.9	-58	-52	0	0	110.7	T30 D31	Q28-T30 PolarHBondContact O-N 2.92Å; Q28-D31 VanDerWaalsContact O-CB 3.26Å; Q28-D31 WeakPolarHBondContact O-CB 3.38Å; Q28-D31 PolarHBondContact O-N 2.88Å
29	I	97.4	Very high	85.4	Confident	10 Å²	10	75.4 Å²	75.4	5%	0.051	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-12.2	178.3	65.9	170.4	0	0	0	114.1	I35 A66 I67 R70 C152 A153	I29-I35 WeakPolarHBondContact O-CD1 3.26Å; I29-A66 HydrophobicContact CB-CB 4.11Å; I29-A66 HydrophobicContact CD1-CB 4.37Å; I29-A66 HydrophobicContact CG2-CB 4.34Å; I29-I67 HydrophobicContact CD1-CG1 3.89Å; I29-R70 VanDerWaalsContact CD1-CZ 3.42Å; I29-R70 HydrophobicContact CG2-CB 4.16Å; I29-C152 WeakPolarHBondContact CG2-O 3.44Å; I29-A153 HydrophobicContact CG2-CB 3.65Å
30	T	96.4	Very high	87.5	Confident	99 Å²	99	74.8 Å²	74.8	61%	0.607	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-1.7	176.5	57.5	0	0	0	0	112.7	Q28 E32	Q28-T30 PolarHBondContact O-N 2.92Å; T30-E32 PolarHBondContact O-N 3.31Å
31	D	97.6	Very high	89.7	Confident	65 Å²	65	73 Å²	73	35%	0.348	41%	0.409	S	S	.	.			trans	-70.3	119	177.9	-179.3	-68.7	0	0	0	109.8	P27 Q28 K33 F34 I35	P27-D31 HydrophobicContact CB-CB 4.31Å; Q28-D31 VanDerWaalsContact O-CB 3.26Å; Q28-D31 WeakPolarHBondContact O-CB 3.38Å; Q28-D31 PolarHBondContact O-N 2.88Å; D31-K33 VanDerWaalsContact C-N 3.28Å; D31-K33 PolarHBondContact O-N 2.8Å; D31-K33 WeakPolarHBondContact OD1-CA 3.26Å; D31-K33 WeakPolarHBondContact OD1-CB 3.48Å; D31-K33 PolarHBondContact OD1-N 3.22Å; D31-F34 HydrophobicContact CB-CB 3.92Å; D31-F34 PolarHBondContact O-N 2.95Å; D31-F34 PolarHBondContact OD1-N 2.91Å; D31-I35 VanDerWaalsContact O-CG1 3.26Å; D31-I35 WeakPolarHBondContact O-CG1 3.26Å; D31-I35 PolarHBondContact O-N 2.95Å
32	E	97.5	Very high	91.8	Very high	147 Å²	147	66.8 Å²	66.8	69%	0.687	37%	0.371	S	S	*	.	H	α-helix	trans	-63.9	-32.4	-173.6	-63.5	-168.9	153.7	0	0	113.1	T30 A36	T30-E32 PolarHBondContact O-N 3.31Å; E32-A36 VanDerWaalsContact O-CB 3.26Å; E32-A36 WeakPolarHBondContact O-CB 3.34Å; E32-A36 PolarHBondContact O-N 2.96Å
33	K	98.1	Very high	93.9	Very high	171 Å²	171	62.1 Å²	62.1	74%	0.743	34%	0.338	S	S	*	.	H	α-helix	trans	-72.6	-41.8	178.7	-66.1	-179.8	179	176.9	0	110.6	D31 A36 E37	D31-K33 VanDerWaalsContact C-N 3.28Å; D31-K33 PolarHBondContact O-N 2.8Å; D31-K33 WeakPolarHBondContact OD1-CA 3.26Å; D31-K33 WeakPolarHBondContact OD1-CB 3.48Å; D31-K33 PolarHBondContact OD1-N 3.22Å; K33-A36 PolarHBondContact O-N 3.28Å; K33-E37 WeakPolarHBondContact O-CB 3.31Å; K33-E37 PolarHBondContact O-N 3.3Å
34	F	98.5	Very high	95.7	Very high	5 Å²	5	63.6 Å²	63.6	2%	0.022	33%	0.33	C	S	.	.	H	α-helix	trans	-61.2	-45.4	174.3	172.8	-104.9	0	0	0	112.1	P27 D31 C38 W61 V111 C152 V154 F172	P27-F34 HydrophobicContact CB-CB 3.65Å; P27-F34 HydrophobicContact CB-CD2 3.78Å; P27-F34 HydrophobicContact CB-CG 3.78Å; P27-F34 HydrophobicContact CG-CB 4.21Å; P27-F34 HydrophobicContact CG-CD2 3.38Å; P27-F34 HydrophobicContact CG-CE2 3.91Å; P27-F34 HydrophobicContact CG-CG 3.94Å; D31-F34 HydrophobicContact CB-CB 3.92Å; D31-F34 PolarHBondContact O-N 2.95Å; D31-F34 PolarHBondContact OD1-N 2.91Å; F34-C38 WeakPolarHBondContact O-CB 3.44Å; F34-C38 PolarHBondContact O-N 3.03Å; F34-C38 PolarHBondContact O-SG 2.86Å; F34-W61 HydrophobicContact CD1-CH2 4.4Å; F34-W61 AromaticContact CE1-CH2 3.92Å; F34-W61 HydrophobicContact CE1-CH2 3.92Å; F34-V111 HydrophobicContact CD2-CG2 3.38Å; F34-V111 HydrophobicContact CE2-CG2 3.48Å; F34-V111 VanDerWaalsContact CE2-CG2 3.48Å; F34-C152 HydrophobicContact CE1-CB 4.48Å; F34-C152 WeakPolarHBondContact CE1-O 3.48Å; F34-C152 HydrophobicContact CZ-CB 4.12Å; F34-V154 HydrophobicContact CE2-CG1 4.38Å; F34-F172 HydrophobicContact CE2-CD2 4.47Å; F34-F172 AromaticContact CE2-CE2 3.82Å; F34-F172 HydrophobicContact CE2-CE2 3.82Å; F34-F172 HydrophobicContact CZ-CD2 4.46Å; F34-F172 AromaticContact CZ-CE2 3.78Å; F34-F172 HydrophobicContact CZ-CE2 3.78Å
35	I	98.7	Very high	97.2	Very high	38 Å²	38	59.3 Å²	59.3	20%	0.195	31%	0.306	C	S	.	.	H	α-helix	trans	-59.8	-50	176.1	-68.4	167.2	0	0	0	110.2	I29 D31 C38 V39 W61	I29-I35 WeakPolarHBondContact O-CD1 3.26Å; D31-I35 VanDerWaalsContact O-CG1 3.26Å; D31-I35 WeakPolarHBondContact O-CG1 3.26Å; D31-I35 PolarHBondContact O-N 2.95Å; I35-C38 PolarHBondContact O-N 3.39Å; I35-V39 WeakPolarHBondContact O-CG2 3.44Å; I35-V39 PolarHBondContact O-N 3.28Å; I35-V39 VanDerWaalsContact O-N 3.08Å; I35-W61 HydrophobicContact CB-CD2 4.38Å; I35-W61 HydrophobicContact CG1-CD2 4.1Å; I35-W61 HydrophobicContact CG1-CH2 4.28Å; I35-W61 HydrophobicContact CG1-CZ2 3.81Å; I35-W61 HydrophobicContact CG2-CB 3.8Å; I35-W61 HydrophobicContact CG2-CD2 3.73Å; I35-W61 HydrophobicContact CG2-CE3 4.14Å; I35-W61 HydrophobicContact CG2-CG 3.58Å
36	A	98.7	Very high	97.9	Very high	37 Å²	37	53.2 Å²	53.2	31%	0.306	27%	0.268	S	S	.	.	H	α-helix	trans	-59.9	-50	180	0	0	0	0	0	111.4	E32 K33 C38 V39 E40	E32-A36 VanDerWaalsContact O-CB 3.26Å; E32-A36 WeakPolarHBondContact O-CB 3.34Å; E32-A36 PolarHBondContact O-N 2.96Å; K33-A36 PolarHBondContact O-N 3.28Å; A36-C38 VanDerWaalsContact C-N 3.33Å; A36-C38 PolarHBondContact O-N 2.87Å; A36-V39 PolarHBondContact O-N 3.45Å; A36-V39 VanDerWaalsContact O-N 3.17Å; A36-E40 VanDerWaalsContact O-CB 3.3Å; A36-E40 WeakPolarHBondContact O-CB 3.36Å; A36-E40 VanDerWaalsContact O-CG 3.25Å; A36-E40 WeakPolarHBondContact O-CG 3.36Å; A36-E40 PolarHBondContact O-N 3.01Å
37	E	98.8	Very high	98.1	Very high	71 Å²	71	52.4 Å²	52.4	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-61.7	-39.7	-179.3	-169.2	173.8	-144.6	0	0	111.9	K33 E40 E41 V111	K33-E37 WeakPolarHBondContact O-CB 3.31Å; K33-E37 PolarHBondContact O-N 3.3Å; E37-E40 PolarHBondContact O-N 2.85Å; E37-E41 HydrophobicContact CG-CG 4.27Å; E37-E41 WeakPolarHBondContact O-CB 3.38Å; E37-E41 WeakPolarHBondContact O-CG 3.25Å; E37-E41 PolarHBondContact O-N 2.87Å; E37-V111 HydrophobicContact CB-CB 4.4Å; E37-V111 HydrophobicContact CB-CG1 4.21Å; E37-V111 HydrophobicContact CG-CB 3.91Å; E37-V111 HydrophobicContact CG-CG1 3.87Å; E37-V111 WeakPolarHBondContact OE2-CB 3.36Å
38	C	98.9	Very high	98.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.1	-53.1	173.9	-71.7	0	0	0	0	110.4	F34 I35 A36 E40 H42 W61 V111	F34-C38 WeakPolarHBondContact O-CB 3.44Å; F34-C38 PolarHBondContact O-N 3.03Å; F34-C38 PolarHBondContact O-SG 2.86Å; I35-C38 PolarHBondContact O-N 3.39Å; A36-C38 VanDerWaalsContact C-N 3.33Å; A36-C38 PolarHBondContact O-N 2.87Å; C38-E40 PolarHBondContact O-N 2.86Å; C38-H42 PolarHBondContact O-N 3.27Å; C38-H42 PolarHBondContact O-ND1 3.08Å; C38-W61 HydrophobicContact CB-CZ3 3.99Å; C38-V111 HydrophobicContact CB-CG1 4.26Å; C38-V111 VanDerWaalsContact SG-CG1 3.54Å
39	V	98.9	Very high	98.4	Very high	14 Å²	14	49.1 Å²	49.1	9%	0.085	26%	0.258	C	S	.	.	H	α-helix	trans	-64.2	-40.3	-178	171.5	0	0	0	0	111.8	I35 A36 N43 Y58 M59 W61 V150	I35-V39 WeakPolarHBondContact O-CG2 3.44Å; I35-V39 PolarHBondContact O-N 3.28Å; I35-V39 VanDerWaalsContact O-N 3.08Å; A36-V39 PolarHBondContact O-N 3.45Å; A36-V39 VanDerWaalsContact O-N 3.17Å; V39-N43 VanDerWaalsContact CG1-ND2 3.32Å; V39-N43 WeakPolarHBondContact CG1-ND2 3.32Å; V39-N43 WeakPolarHBondContact O-CB 3.49Å; V39-N43 PolarHBondContact O-N 2.93Å; V39-N43 PolarHBondContact O-ND2 2.95Å; V39-Y58 HydrophobicContact CG1-CE1 4.49Å; V39-M59 WeakPolarHBondContact CG1-O 3.27Å; V39-W61 HydrophobicContact CG2-CB 4.01Å; V39-W61 HydrophobicContact CG2-CE3 4.4Å; V39-V150 HydrophobicContact CG2-CG1 4.39Å
40	E	98.8	Very high	98.4	Very high	128 Å²	128	59 Å²	59	60%	0.598	30%	0.295	S	S	*	.	H	α-helix	trans	-67	-49.7	-178.4	-75.8	174.9	-166.5	0	0	112.2	A36 E37 C38 H42 N43 K44	A36-E40 VanDerWaalsContact O-CB 3.3Å; A36-E40 WeakPolarHBondContact O-CB 3.36Å; A36-E40 VanDerWaalsContact O-CG 3.25Å; A36-E40 WeakPolarHBondContact O-CG 3.36Å; A36-E40 PolarHBondContact O-N 3.01Å; E37-E40 PolarHBondContact O-N 2.85Å; C38-E40 PolarHBondContact O-N 2.86Å; E40-H42 VanDerWaalsContact C-N 3.32Å; E40-H42 PolarHBondContact O-N 3.5Å; E40-N43 PolarHBondContact O-N 2.83Å; E40-K44 VanDerWaalsContact O-CB 3.24Å; E40-K44 WeakPolarHBondContact O-CB 3.44Å; E40-K44 PolarHBondContact O-N 2.96Å
41	E	98.9	Very high	98.4	Very high	25 Å²	25	56.6 Å²	56.6	12%	0.117	28%	0.281	C	S	.	.	H	α-helix	trans	-66.4	-35	-178.7	-68.9	-65.4	166.6	0	0	111.7	E37 K44 A45 K112 I115	E37-E41 HydrophobicContact CG-CG 4.27Å; E37-E41 WeakPolarHBondContact O-CB 3.38Å; E37-E41 WeakPolarHBondContact O-CG 3.25Å; E37-E41 PolarHBondContact O-N 2.87Å; E41-K44 IonicContact OE2-NZ 3.48Å; E41-K44 PolarHBondContact OE2-NZ 2.8Å; E41-A45 PolarHBondContact O-N 3.46Å; E41-A45 VanDerWaalsContact O-N 3.12Å; E41-K112 HydrophobicContact CG-CB 4.23Å; E41-K112 HydrophobicContact CG-CG 4.35Å; E41-K112 WeakPolarHBondContact OE1-CD 3.43Å; E41-I115 HydrophobicContact CB-CB 4.36Å; E41-I115 HydrophobicContact CB-CD1 3.86Å; E41-I115 HydrophobicContact CB-CG2 4.1Å
42	H	98.9	Very high	98.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-52.2	170.7	-76.2	91	0	0	0	112	C38 E40 K44 A45 R46 M59 I115 Y176	C38-H42 PolarHBondContact O-N 3.27Å; C38-H42 PolarHBondContact O-ND1 3.08Å; E40-H42 VanDerWaalsContact C-N 3.32Å; E40-H42 PolarHBondContact O-N 3.5Å; H42-K44 VanDerWaalsContact C-N 3.29Å; H42-K44 PolarHBondContact O-N 2.69Å; H42-A45 PolarHBondContact O-N 3.49Å; H42-A45 VanDerWaalsContact O-N 3.16Å; H42-R46 WeakPolarHBondContact O-CB 3.3Å; H42-R46 WeakPolarHBondContact O-CG 2.97Å; H42-R46 PolarHBondContact O-N 2.72Å; H42-M59 HydrophobicContact CB-SD 3.57Å; H42-M59 VanDerWaalsContact CB-SD 3.57Å; H42-I115 WeakPolarHBondContact CE1-CD1 3.3Å; H42-Y176 AromaticContact CD2-CE1 3.68Å; H42-Y176 AromaticContact NE2-CE1 3.39Å; H42-Y176 WeakPolarHBondContact NE2-CE1 3.46Å; H42-Y176 AromaticContact NE2-CZ 3.58Å; H42-Y176 PolarHBondContact NE2-OH 2.78Å
43	N	98.8	Very high	98.5	Very high	10 Å²	10	50 Å²	50	5%	0.053	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-31.7	-177.7	-77.1	-50.3	0	0	0	112.8	V39 E40 R46 S47 Y58 M59 L206	V39-N43 VanDerWaalsContact CG1-ND2 3.32Å; V39-N43 WeakPolarHBondContact CG1-ND2 3.32Å; V39-N43 WeakPolarHBondContact O-CB 3.49Å; V39-N43 PolarHBondContact O-N 2.93Å; V39-N43 PolarHBondContact O-ND2 2.95Å; E40-N43 PolarHBondContact O-N 2.83Å; N43-R46 PolarHBondContact O-N 3.48Å; N43-S47 WeakPolarHBondContact O-CB 3.32Å; N43-S47 PolarHBondContact O-N 3.17Å; N43-S47 PolarHBondContact O-OG 2.84Å; N43-Y58 HydrophobicContact CB-CE2 4.26Å; N43-Y58 VanDerWaalsContact ND2-CE2 3.34Å; N43-Y58 WeakPolarHBondContact ND2-CE2 3.25Å; N43-Y58 VanDerWaalsContact ND2-CZ 3.3Å; N43-M59 PolarHBondContact ND2-O 3.5Å; N43-M59 WeakPolarHBondContact OD1-CB 3.41Å; N43-M59 PolarHBondContact OD1-N 2.98Å; N43-L206 HydrophobicContact CB-CD1 3.76Å
44	K	98.8	Very high	98.4	Very high	106 Å²	106	42.9 Å²	42.9	46%	0.461	23%	0.225	S	C	.	.	H	α-helix	trans	-61.2	-46.9	170.8	-178.8	-178.1	168.8	-163.6	0	111.4	E40 E41 H42 S47 A48	E40-K44 VanDerWaalsContact O-CB 3.24Å; E40-K44 WeakPolarHBondContact O-CB 3.44Å; E40-K44 PolarHBondContact O-N 2.96Å; E41-K44 IonicContact OE2-NZ 3.48Å; E41-K44 PolarHBondContact OE2-NZ 2.8Å; H42-K44 VanDerWaalsContact C-N 3.29Å; H42-K44 PolarHBondContact O-N 2.69Å; K44-S47 PolarHBondContact O-OG 2.98Å; K44-S47 VanDerWaalsContact O-OG 3.08Å; K44-A48 VanDerWaalsContact O-CB 3.28Å; K44-A48 WeakPolarHBondContact O-CB 3.44Å; K44-A48 PolarHBondContact O-N 2.94Å
45	A	98.8	Very high	98.4	Very high	13 Å²	13	44.3 Å²	44.3	11%	0.107	23%	0.233	C	C	.	.	H	α-helix	trans	-62.5	-45.1	175.5	0	0	0	0	0	111.8	E41 H42 S47 A48 V49 V119 V142	E41-A45 PolarHBondContact O-N 3.46Å; E41-A45 VanDerWaalsContact O-N 3.12Å; H42-A45 PolarHBondContact O-N 3.49Å; H42-A45 VanDerWaalsContact O-N 3.16Å; A45-S47 PolarHBondContact O-N 2.99Å; A45-A48 PolarHBondContact O-N 2.88Å; A45-A48 VanDerWaalsContact O-N 3.14Å; A45-V49 PolarHBondContact O-N 3.17Å; A45-V119 HydrophobicContact CB-CG1 4.28Å; A45-V119 HydrophobicContact CB-CG2 3.57Å; A45-V142 HydrophobicContact CB-CG1 3.89Å
46	R	98.8	Very high	98.4	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-61.7	-39.7	-179.2	-69.2	169.4	76	76.3	-1	113.5	H42 N43 A48 M56 L57 V142 W144 A145 S147 L206	H42-R46 WeakPolarHBondContact O-CB 3.3Å; H42-R46 WeakPolarHBondContact O-CG 2.97Å; H42-R46 PolarHBondContact O-N 2.72Å; N43-R46 PolarHBondContact O-N 3.48Å; R46-A48 VanDerWaalsContact C-N 3.3Å; R46-A48 PolarHBondContact O-N 2.81Å; R46-M56 HydrophobicContact CB-CG 3.8Å; R46-M56 HydrophobicContact CB-SD 3.83Å; R46-M56 HydrophobicContact CG-CG 4.47Å; R46-M56 HydrophobicContact CG-SD 3.92Å; R46-M56 PolarHBondContact NH2-SD 3.41Å; R46-M56 VanDerWaalsContact NH2-SD 3.39Å; R46-L57 VanDerWaalsContact CZ-O 3.3Å; R46-L57 PolarHBondContact NE-O 3.35Å; R46-L57 PolarHBondContact NH2-O 2.8Å; R46-V142 WeakPolarHBondContact CG-O 3.26Å; R46-V142 PolarHBondContact NH1-O 3.08Å; R46-W144 PolarHBondContact NH1-O 3.37Å; R46-W144 PolarHBondContact NH2-O 3.2Å; R46-W144 VanDerWaalsContact NH2-O 3.12Å; R46-A145 PolarHBondContact NH2-O 2.82Å; R46-S147 PolarHBondContact NH2-O 3.14Å; R46-L206 HydrophobicContact CB-CD2 3.74Å
47	S	98.5	Very high	98.3	Very high	14 Å²	14	41.5 Å²	41.5	10%	0.098	21%	0.213	C	C	.	.	H	α-helix	trans	-76.3	-16.2	177.2	61.2	0	0	0	0	113.5	N43 K44 A45 N204 K205	N43-S47 WeakPolarHBondContact O-CB 3.32Å; N43-S47 PolarHBondContact O-N 3.17Å; N43-S47 PolarHBondContact O-OG 2.84Å; K44-S47 PolarHBondContact O-OG 2.98Å; K44-S47 VanDerWaalsContact O-OG 3.08Å; A45-S47 PolarHBondContact O-N 2.99Å; S47-N204 WeakPolarHBondContact CB-O 3.16Å; S47-K205 WeakPolarHBondContact O-CD 3.43Å
48	A	98.4	Very high	98.3	Very high	64 Å²	64	40.9 Å²	40.9	53%	0.529	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	0.9	-175.4	0	0	0	0	0	114.4	K44 A45 R46	K44-A48 VanDerWaalsContact O-CB 3.28Å; K44-A48 WeakPolarHBondContact O-CB 3.44Å; K44-A48 PolarHBondContact O-N 2.94Å; A45-A48 PolarHBondContact O-N 2.88Å; A45-A48 VanDerWaalsContact O-N 3.14Å; R46-A48 VanDerWaalsContact C-N 3.3Å; R46-A48 PolarHBondContact O-N 2.81Å
49	V	98.4	Very high	98.3	Very high	13 Å²	13	40.9 Å²	40.9	8%	0.079	21%	0.208	C	C	.	.			trans	-58.3	148.5	-175	-62.8	0	0	0	0	113.7	A45 P51 A53 M56 V143 Y188	A45-V49 PolarHBondContact O-N 3.17Å; V49-P51 CarbonylContact C-O 3.58Å; V49-A53 HydrophobicContact CG2-CB 3.76Å; V49-M56 HydrophobicContact CG1-CE 4.1Å; V49-M56 HydrophobicContact CG2-CE 4.11Å; V49-V143 HydrophobicContact CG1-CB 3.81Å; V49-V143 HydrophobicContact CG1-CG1 3.58Å; V49-V143 HydrophobicContact CG1-CG2 4.49Å; V49-Y188 HydrophobicContact CB-CE1 3.97Å; V49-Y188 HydrophobicContact CG1-CE1 3.94Å; V49-Y188 HydrophobicContact CG2-CE1 4.17Å; V49-Y188 HydrophobicContact CG2-CE2 4.17Å
50	R	96.5	Very high	98.2	Very high	219 Å²	219	41.3 Å²	41.3	83%	0.826	21%	0.212	S	C	*	.	S	Bend	trans	-132.6	125.3	173.5	-66.7	-172.9	179.4	-176	-0.3	109.3	Y188	R50-Y188 PolarHBondContact O-OH 3.02Å
51	P	97.4	Very high	98.2	Very high	47 Å²	47	37.5 Å²	37.5	31%	0.305	19%	0.192	S	C	.	.	S	Bend	cis	-60.1	158.5	-4.5	27.8	-37	0	0	0	113.5	V49 Y127 Y188 T190	V49-P51 CarbonylContact C-O 3.58Å; P51-Y127 HydrophobicContact CG-CD1 3.69Å; P51-Y127 HydrophobicContact CG-CD2 4.1Å; P51-Y127 HydrophobicContact CG-CE1 4.15Å; P51-Y127 HydrophobicContact CG-CE2 4.49Å; P51-Y127 HydrophobicContact CG-CG 3.7Å; P51-Y188 HydrophobicContact CG-CE2 4.35Å; P51-Y188 VanDerWaalsContact O-CE2 3.26Å; P51-Y188 WeakPolarHBondContact O-CE2 3.44Å; P51-Y188 PolarHBondContact O-OH 2.92Å; P51-T190 HydrophobicContact CB-CG2 3.96Å; P51-T190 HydrophobicContact CG-CG2 3.48Å; P51-T190 VanDerWaalsContact CG-CG2 3.48Å
52	P	97.8	Very high	98.2	Very high	69 Å²	69	37 Å²	37	45%	0.448	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-62.9	137.6	179.9	-19.1	31.3	0	0	0	112	P194	P52-P194 HydrophobicContact CB-CG 3.88Å
53	A	98.3	Very high	98.1	Very high	5 Å²	5	40.7 Å²	40.7	4%	0.041	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-84.9	136	179.1	0	0	0	0	0	112.1	V49 M56 Y188 G189 P194	V49-A53 HydrophobicContact CG2-CB 3.76Å; A53-M56 HydrophobicContact CB-CB 3.76Å; A53-M56 HydrophobicContact CB-CE 3.68Å; A53-Y188 HydrophobicContact CB-CD2 3.51Å; A53-Y188 HydrophobicContact CB-CE2 4.17Å; A53-Y188 HydrophobicContact CB-CG 3.71Å; A53-G189 CarbonylContact C-O 3.51Å; A53-G189 VanDerWaalsContact CA-O 3.23Å; A53-G189 WeakPolarHBondContact CA-O 3.46Å; A53-P194 VanDerWaalsContact O-CA 3.32Å; A53-P194 WeakPolarHBondContact O-CA 3.43Å
54	N	97.8	Very high	98	Very high	21 Å²	21	40.3 Å²	40.3	11%	0.112	21%	0.205	C	C	.	.	S	Bend	trans	-89.2	-19.1	176.9	73.7	-23.6	0	0	0	113.6	G189 T191 C195 S196 G197	N54-G189 PolarHBondContact N-O 3.48Å; N54-G189 WeakPolarHBondContact OD1-CA 3.41Å; N54-G189 PolarHBondContact OD1-O 3.05Å; N54-T191 WeakPolarHBondContact CB-O 3.37Å; N54-T191 PolarHBondContact ND2-O 3.25Å; N54-C195 CarbonylContact O-C 3.52Å; N54-C195 WeakPolarHBondContact O-CA 3.17Å; N54-C195 PolarHBondContact O-N 3.48Å; N54-S196 WeakPolarHBondContact CB-OG 3.33Å; N54-S196 PolarHBondContact O-N 2.98Å; N54-G197 WeakPolarHBondContact O-CA 3.15Å; N54-G197 PolarHBondContact O-N 3.4Å
55	D	97.4	Very high	98	Very high	35 Å²	35	35.2 Å²	35.2	19%	0.187	18%	0.183	C	C	.	.	S	Bend	trans	-128.5	12.3	-168.3	69.4	-21.2	0	0	0	114.2	L57 A145 G189	D55-L57 PolarHBondContact O-N 3.34Å; D55-L57 VanDerWaalsContact O-N 3.09Å; D55-A145 WeakPolarHBondContact OD1-CB 3.23Å; D55-G189 PolarHBondContact OD1-N 3.08Å; D55-G189 PolarHBondContact OD2-N 3.22Å
56	M	98.4	Very high	98	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.178	C	C	.	.			trans	-62.3	110	-174.8	-172.7	68.6	64.8	0	0	112	R46 V49 A53 V143 A145 Y188 L206 C207	R46-M56 HydrophobicContact CB-CG 3.8Å; R46-M56 HydrophobicContact CB-SD 3.83Å; R46-M56 HydrophobicContact CG-CG 4.47Å; R46-M56 HydrophobicContact CG-SD 3.92Å; R46-M56 PolarHBondContact NH2-SD 3.41Å; R46-M56 VanDerWaalsContact NH2-SD 3.39Å; V49-M56 HydrophobicContact CG1-CE 4.1Å; V49-M56 HydrophobicContact CG2-CE 4.11Å; A53-M56 HydrophobicContact CB-CB 3.76Å; A53-M56 HydrophobicContact CB-CE 3.68Å; M56-V143 HydrophobicContact CE-CB 4.36Å; M56-V143 VanDerWaalsContact CE-O 3.3Å; M56-V143 WeakPolarHBondContact CE-O 3.31Å; M56-A145 HydrophobicContact SD-CB 4.29Å; M56-Y188 HydrophobicContact CE-CD1 3.55Å; M56-Y188 HydrophobicContact CE-CE1 4.26Å; M56-Y188 HydrophobicContact CE-CG 3.83Å; M56-L206 HydrophobicContact CB-CD2 4.09Å; M56-L206 HydrophobicContact CG-CD2 3.39Å; M56-L206 CarbonylContact O-C 3.55Å; M56-L206 WeakPolarHBondContact O-CA 3.27Å; M56-C207 PolarHBondContact O-N 3.43Å
57	L	98.2	Very high	98	Very high	15 Å²	15	36 Å²	36	8%	0.079	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-70.2	144.7	177.9	-58.6	179.5	0	0	0	111.6	R46 D55 M59 A145 Y148 C207 N209	R46-L57 VanDerWaalsContact CZ-O 3.3Å; R46-L57 PolarHBondContact NE-O 3.35Å; R46-L57 PolarHBondContact NH2-O 2.8Å; D55-L57 PolarHBondContact O-N 3.34Å; D55-L57 VanDerWaalsContact O-N 3.09Å; L57-M59 PolarHBondContact O-N 3.08Å; L57-A145 WeakPolarHBondContact CB-O 3.45Å; L57-A145 WeakPolarHBondContact CG-O 3.17Å; L57-A145 PolarHBondContact N-O 2.94Å; L57-A145 VanDerWaalsContact N-O 3.17Å; L57-Y148 HydrophobicContact CD1-CD1 3.85Å; L57-Y148 HydrophobicContact CD1-CG 4.18Å; L57-C207 HydrophobicContact CD2-CB 3.78Å; L57-N209 VanDerWaalsContact CD2-ND2 3.32Å; L57-N209 WeakPolarHBondContact CD2-ND2 3.39Å
58	Y	98	Very high	97.9	Very high	59 Å²	59	35.5 Å²	35.5	23%	0.231	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-64.5	129.5	166.2	-176.7	-88.6	0	0	0	110.1	V39 N43 L206 C207 R208	V39-Y58 HydrophobicContact CG1-CE1 4.49Å; N43-Y58 HydrophobicContact CB-CE2 4.26Å; N43-Y58 VanDerWaalsContact ND2-CE2 3.34Å; N43-Y58 WeakPolarHBondContact ND2-CE2 3.25Å; N43-Y58 VanDerWaalsContact ND2-CZ 3.3Å; Y58-L206 HydrophobicContact CD2-CB 4.34Å; Y58-L206 HydrophobicContact CD2-CD1 3.73Å; Y58-L206 HydrophobicContact CE2-CD1 4.37Å; Y58-C207 PolarHBondContact N-O 2.86Å; Y58-R208 VanDerWaalsContact CG-NH1 3.32Å
59	M	98.3	Very high	97.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-88.7	133.6	178.5	-173.9	174	-77.6	0	0	110.5	V39 H42 N43 L57 S147 Y148 V150 Y176	V39-M59 WeakPolarHBondContact CG1-O 3.27Å; H42-M59 HydrophobicContact CB-SD 3.57Å; H42-M59 VanDerWaalsContact CB-SD 3.57Å; N43-M59 PolarHBondContact ND2-O 3.5Å; N43-M59 WeakPolarHBondContact OD1-CB 3.41Å; N43-M59 PolarHBondContact OD1-N 2.98Å; L57-M59 PolarHBondContact O-N 3.08Å; M59-S147 VanDerWaalsContact CE-O 3.23Å; M59-S147 WeakPolarHBondContact CE-O 3.43Å; M59-Y148 CarbonylContact C-O 3.51Å; M59-Y148 WeakPolarHBondContact CA-O 3.29Å; M59-V150 HydrophobicContact CG-CB 3.92Å; M59-V150 HydrophobicContact CG-CG1 3.64Å; M59-V150 HydrophobicContact SD-CB 3.57Å; M59-V150 VanDerWaalsContact SD-CB 3.57Å; M59-V150 HydrophobicContact SD-CG1 3.6Å; M59-V150 VanDerWaalsContact SD-CG1 3.6Å; M59-V150 HydrophobicContact SD-CG2 4.21Å; M59-Y176 HydrophobicContact CE-CD1 3.77Å; M59-Y176 HydrophobicContact CE-CE1 4.08Å; M59-Y176 HydrophobicContact SD-CD1 4.32Å; M59-Y176 HydrophobicContact SD-CE1 4.31Å
60	S	98.1	Very high	97.9	Very high	23 Å²	23	35.8 Å²	35.8	16%	0.161	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	158	178.5	56.6	0	0	0	0	111.2	Y148 K149 V150	S60-Y148 PolarHBondContact N-O 3.03Å; S60-Y148 PolarHBondContact OG-O 3.06Å; S60-K149 WeakPolarHBondContact O-CA 3.34Å; S60-K149 WeakPolarHBondContact OG-CD 3.48Å; S60-K149 PolarHBondContact OG-NZ 2.84Å; S60-V150 PolarHBondContact O-N 2.84Å
61	W	98.6	Very high	98	Very high	47 Å²	47	26.5 Å²	26.5	18%	0.178	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	144.9	178.6	-170.6	-107.9	0	0	0	112.3	F34 I35 C38 V39 A66 V150 C152	F34-W61 HydrophobicContact CD1-CH2 4.4Å; F34-W61 AromaticContact CE1-CH2 3.92Å; F34-W61 HydrophobicContact CE1-CH2 3.92Å; I35-W61 HydrophobicContact CB-CD2 4.38Å; I35-W61 HydrophobicContact CG1-CD2 4.1Å; I35-W61 HydrophobicContact CG1-CH2 4.28Å; I35-W61 HydrophobicContact CG1-CZ2 3.81Å; I35-W61 HydrophobicContact CG2-CB 3.8Å; I35-W61 HydrophobicContact CG2-CD2 3.73Å; I35-W61 HydrophobicContact CG2-CE3 4.14Å; I35-W61 HydrophobicContact CG2-CG 3.58Å; C38-W61 HydrophobicContact CB-CZ3 3.99Å; V39-W61 HydrophobicContact CG2-CB 4.01Å; V39-W61 HydrophobicContact CG2-CE3 4.4Å; W61-A66 HydrophobicContact CH2-CB 3.91Å; W61-A66 HydrophobicContact CZ2-CB 3.28Å; W61-V150 CarbonylContact C-O 3.58Å; W61-V150 VanDerWaalsContact CA-O 3.31Å; W61-V150 WeakPolarHBondContact CA-O 3.46Å; W61-V150 HydrophobicContact CE3-CG1 4.44Å; W61-C152 HydrophobicContact CH2-CB 4.08Å; W61-C152 WeakPolarHBondContact CH2-O 3.12Å; W61-C152 HydrophobicContact CZ3-CB 4.07Å; W61-C152 VanDerWaalsContact CZ3-N 3.31Å
62	D	98.4	Very high	98	Very high	14 Å²	14	26 Å²	26	8%	0.075	13%	0.13	C	C	.	.			trans	-133	120	169.9	-164.4	-62.3	0	0	0	110.2	A64 L65 A66 H91 K149 V150	D62-A64 WeakPolarHBondContact OD1-CB 2.89Å; D62-A64 PolarHBondContact OD1-N 3.2Å; D62-L65 HydrophobicContact CB-CB 4.19Å; D62-L65 HydrophobicContact CB-CD1 3.82Å; D62-L65 HydrophobicContact CB-CG 3.95Å; D62-L65 PolarHBondContact O-N 3.34Å; D62-L65 PolarHBondContact OD1-N 3.24Å; D62-A66 PolarHBondContact O-N 3.49Å; D62-H91 IonicContact OD1-CD2 3.8Å; D62-H91 IonicContact OD1-NE2 3.2Å; D62-H91 PolarHBondContact OD1-NE2 2.92Å; D62-H91 IonicContact OD2-NE2 3.4Å; D62-H91 PolarHBondContact OD2-NE2 3.36Å; D62-K149 HydrophobicContact CB-CB 3.96Å; D62-K149 HydrophobicContact CB-CD 4.15Å; D62-K149 HydrophobicContact CB-CG 4.28Å; D62-V150 PolarHBondContact N-O 3.2Å
63	E	97.1	Very high	98	Very high	79 Å²	79	22.7 Å²	22.7	37%	0.369	11%	0.108	S	C	.	.	H	α-helix	trans	-68.7	-35.1	-176.2	-172.9	178.6	-175.4	0	0	112.6	L65 A66 I67	E63-L65 VanDerWaalsContact C-N 3.33Å; E63-L65 PolarHBondContact O-N 3.21Å; E63-A66 PolarHBondContact O-N 3.06Å; E63-I67 HydrophobicContact CG-CD1 4.2Å; E63-I67 WeakPolarHBondContact O-CG1 3.5Å; E63-I67 PolarHBondContact O-N 3.04Å
64	A	96.8	Very high	98	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-67	-38.6	179.8	0	0	0	0	0	110.9	D62 A66 I67 T68 W221	D62-A64 WeakPolarHBondContact OD1-CB 2.89Å; D62-A64 PolarHBondContact OD1-N 3.2Å; A64-A66 VanDerWaalsContact C-N 3.34Å; A64-A66 PolarHBondContact O-N 3.34Å; A64-I67 PolarHBondContact O-N 3.49Å; A64-T68 PolarHBondContact O-N 3.28Å; A64-T68 VanDerWaalsContact O-N 3.08Å; A64-T68 PolarHBondContact O-OG1 3.33Å; A64-W221 HydrophobicContact CB-CH2 4.02Å; A64-W221 HydrophobicContact CB-CZ2 3.69Å
65	L	98.5	Very high	97.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.8	-39.7	172.1	-65	180	0	0	0	111.9	D62 E63 T68 A69 H91 V97 K149 N175 A177	D62-L65 HydrophobicContact CB-CB 4.19Å; D62-L65 HydrophobicContact CB-CD1 3.82Å; D62-L65 HydrophobicContact CB-CG 3.95Å; D62-L65 PolarHBondContact O-N 3.34Å; D62-L65 PolarHBondContact OD1-N 3.24Å; E63-L65 VanDerWaalsContact C-N 3.33Å; E63-L65 PolarHBondContact O-N 3.21Å; L65-T68 PolarHBondContact O-N 2.99Å; L65-A69 WeakPolarHBondContact O-CB 3.37Å; L65-A69 PolarHBondContact O-N 3.17Å; L65-H91 HydrophobicContact CD2-CB 4.19Å; L65-V97 HydrophobicContact CD2-CG1 3.91Å; L65-V97 HydrophobicContact CD2-CG2 3.88Å; L65-K149 HydrophobicContact CD1-CB 3.83Å; L65-N175 HydrophobicContact CB-CB 4.12Å; L65-N175 HydrophobicContact CD2-CB 4.13Å; L65-A177 HydrophobicContact CD1-CB 3.74Å; L65-A177 HydrophobicContact CD2-CB 4.14Å; L65-A177 HydrophobicContact CG-CB 4.48Å
66	A	98.6	Very high	97.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68.2	-35.7	179.1	0	0	0	0	0	112.6	I29 W61 D62 E63 A64 R70	I29-A66 HydrophobicContact CB-CB 4.11Å; I29-A66 HydrophobicContact CD1-CB 4.37Å; I29-A66 HydrophobicContact CG2-CB 4.34Å; W61-A66 HydrophobicContact CH2-CB 3.91Å; W61-A66 HydrophobicContact CZ2-CB 3.28Å; D62-A66 PolarHBondContact O-N 3.49Å; E63-A66 PolarHBondContact O-N 3.06Å; A64-A66 VanDerWaalsContact C-N 3.34Å; A64-A66 PolarHBondContact O-N 3.34Å; A66-R70 WeakPolarHBondContact O-CB 3.14Å; A66-R70 PolarHBondContact O-N 2.8Å
67	I	98	Very high	97.9	Very high	29 Å²	29	32.3 Å²	32.3	15%	0.149	15%	0.151	C	C	.	.	H	α-helix	trans	-62.2	-47.7	172.4	-70.1	164.7	0	0	0	110.3	I29 E63 A64 R70 A71 W221	I29-I67 HydrophobicContact CD1-CG1 3.89Å; E63-I67 HydrophobicContact CG-CD1 4.2Å; E63-I67 WeakPolarHBondContact O-CG1 3.5Å; E63-I67 PolarHBondContact O-N 3.04Å; A64-I67 PolarHBondContact O-N 3.49Å; I67-R70 PolarHBondContact O-N 3.23Å; I67-A71 WeakPolarHBondContact O-CB 3.39Å; I67-A71 PolarHBondContact O-N 3.37Å; I67-W221 HydrophobicContact CD1-CZ2 3.81Å
68	T	97.4	Very high	97.9	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-61.1	-47.3	176.9	-61.6	0	0	0	0	111.4	A64 L65 R70 A71 W72 M90 N175	A64-T68 PolarHBondContact O-N 3.28Å; A64-T68 VanDerWaalsContact O-N 3.08Å; A64-T68 PolarHBondContact O-OG1 3.33Å; L65-T68 PolarHBondContact O-N 2.99Å; T68-R70 VanDerWaalsContact C-N 3.31Å; T68-R70 PolarHBondContact O-N 2.74Å; T68-A71 PolarHBondContact O-N 3.01Å; T68-W72 PolarHBondContact O-N 2.91Å; T68-M90 HydrophobicContact CG2-CB 4.12Å; T68-M90 HydrophobicContact CG2-CG 4.39Å; T68-M90 HydrophobicContact CG2-SD 3.51Å; T68-M90 VanDerWaalsContact CG2-SD 3.51Å; T68-M90 PolarHBondContact OG1-O 3.37Å; T68-N175 WeakPolarHBondContact CG2-OD1 3.32Å
69	A	98.6	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.3	-43.6	177.5	0	0	0	0	0	111.5	L65 W72 A73 A153 V173 N175	L65-A69 WeakPolarHBondContact O-CB 3.37Å; L65-A69 PolarHBondContact O-N 3.17Å; A69-W72 PolarHBondContact O-N 3.34Å; A69-A73 WeakPolarHBondContact O-CB 3.29Å; A69-A73 PolarHBondContact O-N 3.2Å; A69-A153 HydrophobicContact CB-CB 4.11Å; A69-V173 HydrophobicContact CB-CB 4.15Å; A69-V173 HydrophobicContact CB-CG1 3.98Å; A69-N175 WeakPolarHBondContact CA-OD1 3.47Å; A69-N175 PolarHBondContact N-OD1 2.94Å; A69-N175 VanDerWaalsContact N-OD1 3.11Å
70	R	98.5	Very high	97.8	Very high	83 Å²	83	42.4 Å²	42.4	31%	0.313	20%	0.195	S	C	.	.	H	α-helix	trans	-65.4	-42.8	177	-173.5	175.5	61.7	-177.5	-4.7	112.1	I29 A66 I67 T68 W72 A73 K74 A153	I29-R70 VanDerWaalsContact CD1-CZ 3.42Å; I29-R70 HydrophobicContact CG2-CB 4.16Å; A66-R70 WeakPolarHBondContact O-CB 3.14Å; A66-R70 PolarHBondContact O-N 2.8Å; I67-R70 PolarHBondContact O-N 3.23Å; T68-R70 VanDerWaalsContact C-N 3.31Å; T68-R70 PolarHBondContact O-N 2.74Å; R70-W72 VanDerWaalsContact C-N 3.3Å; R70-W72 PolarHBondContact O-N 2.87Å; R70-A73 PolarHBondContact O-N 3Å; R70-K74 WeakPolarHBondContact O-CG 3.43Å; R70-K74 PolarHBondContact O-N 3.16Å; R70-A153 HydrophobicContact CB-CB 3.52Å; R70-A153 HydrophobicContact CG-CB 4.21Å; R70-A153 VanDerWaalsContact N-CB 3.33Å
71	A	97	Very high	97.7	Very high	24 Å²	24	41.8 Å²	41.8	20%	0.198	19%	0.19	C	C	.	.	H	α-helix	trans	-60.3	-44.1	177.7	0	0	0	0	0	110.5	I67 T68	I67-A71 WeakPolarHBondContact O-CB 3.39Å; I67-A71 PolarHBondContact O-N 3.37Å; T68-A71 PolarHBondContact O-N 3.01Å
72	W	97.9	Very high	97.5	Very high	36 Å²	36	44.4 Å²	44.4	14%	0.136	21%	0.211	C	C	.	.	H	α-helix	trans	-68.5	-45.4	178.2	-167.9	-111.3	0	0	0	112.9	T68 A69 R70 K74 H75 R79 H80 N81	T68-W72 PolarHBondContact O-N 2.91Å; A69-W72 PolarHBondContact O-N 3.34Å; R70-W72 VanDerWaalsContact C-N 3.3Å; R70-W72 PolarHBondContact O-N 2.87Å; W72-K74 PolarHBondContact O-N 3.37Å; W72-K74 VanDerWaalsContact O-N 3.16Å; W72-H75 AromaticContact CE3-CD2 3.67Å; W72-H75 AromaticContact CE3-NE2 4Å; W72-H75 WeakPolarHBondContact O-CB 3.39Å; W72-H75 PolarHBondContact O-CD2 3.4Å; W72-H75 VanDerWaalsContact O-CD2 3.23Å; W72-H75 PolarHBondContact O-N 2.95Å; W72-R79 WeakPolarHBondContact CZ2-O 3.38Å; W72-R79 PolarHBondContact NE1-O 3.4Å; W72-H80 VanDerWaalsContact CZ2-O 3.27Å; W72-H80 WeakPolarHBondContact CZ2-O 3.33Å; W72-N81 HydrophobicContact CD2-CB 3.58Å; W72-N81 HydrophobicContact CE3-CB 3.91Å; W72-N81 HydrophobicContact CG-CB 3.93Å; W72-N81 HydrophobicContact CH2-CB 4.42Å; W72-N81 HydrophobicContact CZ2-CB 4.15Å; W72-N81 HydrophobicContact CZ3-CB 4.3Å
73	A	98.1	Very high	97.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-56.7	-32	179.2	0	0	0	0	0	113.3	A69 R70 H75 C76 V155 I171 V173	A69-A73 WeakPolarHBondContact O-CB 3.29Å; A69-A73 PolarHBondContact O-N 3.2Å; R70-A73 PolarHBondContact O-N 3Å; A73-H75 PolarHBondContact O-N 3.46Å; A73-H75 VanDerWaalsContact O-N 3.14Å; A73-C76 PolarHBondContact O-N 3.18Å; A73-V155 HydrophobicContact CB-CB 4.04Å; A73-V155 HydrophobicContact CB-CG2 3.59Å; A73-I171 HydrophobicContact CB-CG2 4.05Å; A73-I171 VanDerWaalsContact O-CG2 3.24Å; A73-I171 WeakPolarHBondContact O-CG2 3.37Å; A73-V173 HydrophobicContact CB-CB 4.44Å; A73-V173 HydrophobicContact CB-CG2 3.83Å
74	K	97.8	Very high	97.1	Very high	130 Å²	130	43.5 Å²	43.5	57%	0.565	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.2	176.6	-77.8	177.9	175.1	-171	0	114.5	R70 W72 C76 V155	R70-K74 WeakPolarHBondContact O-CG 3.43Å; R70-K74 PolarHBondContact O-N 3.16Å; W72-K74 PolarHBondContact O-N 3.37Å; W72-K74 VanDerWaalsContact O-N 3.16Å; K74-C76 PolarHBondContact O-N 3.08Å; K74-V155 HydrophobicContact CG-CG2 4.29Å
75	H	96.8	Very high	96.9	Very high	78 Å²	78	48.5 Å²	48.5	36%	0.361	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-12.7	174.6	-65.5	-66.3	0	0	0	113.4	W72 A73 N77	W72-H75 AromaticContact CE3-CD2 3.67Å; W72-H75 AromaticContact CE3-NE2 4Å; W72-H75 WeakPolarHBondContact O-CB 3.39Å; W72-H75 PolarHBondContact O-CD2 3.4Å; W72-H75 VanDerWaalsContact O-CD2 3.23Å; W72-H75 PolarHBondContact O-N 2.95Å; A73-H75 PolarHBondContact O-N 3.46Å; A73-H75 VanDerWaalsContact O-N 3.14Å; H75-N77 VanDerWaalsContact C-N 3.26Å; H75-N77 HydrophobicContact CB-CB 4.26Å; H75-N77 PolarHBondContact O-N 3.5Å
76	C	97.7	Very high	96.5	Very high	21 Å²	21	52.9 Å²	52.9	14%	0.142	26%	0.261	C	S	.	.			trans	49.1	50.2	-179.1	-72.3	0	0	0	0	111.9	A73 K74 C157 I161 K162	A73-C76 PolarHBondContact O-N 3.18Å; K74-C76 PolarHBondContact O-N 3.08Å; C76-C157 WeakPolarHBondContact CA-SG 3.38Å; C76-C157 HydrophobicContact CB-CB 3.69Å; C76-C157 WeakPolarHBondContact CB-SG 3.34Å; C76-C157 WeakPolarHBondContact SG-CA 3.27Å; C76-C157 WeakPolarHBondContact SG-CB 3.48Å; C76-C157 CovalentContact SG-SG 2.03Å; C76-C157 PolarHBondContact SG-SG 3.43Å; C76-I161 WeakPolarHBondContact O-CA 3.36Å; C76-K162 PolarHBondContact O-N 2.85Å
77	N	97.6	Very high	96	Very high	34 Å²	34	55.2 Å²	55.2	18%	0.182	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-139.3	120	-171.6	-174.7	11.5	0	0	0	109.6	H75 R79 K162 N163 I171	H75-N77 VanDerWaalsContact C-N 3.26Å; H75-N77 HydrophobicContact CB-CB 4.26Å; H75-N77 PolarHBondContact O-N 3.5Å; N77-R79 PolarHBondContact O-N 3.31Å; N77-K162 HydrophobicContact CB-CB 4.31Å; N77-K162 PolarHBondContact OD1-O 3.35Å; N77-N163 PolarHBondContact OD1-ND2 3.35Å; N77-I171 WeakPolarHBondContact O-CD1 3.49Å
78	D	97.1	Very high	95.3	Very high	47 Å²	47	58.7 Å²	58.7	25%	0.251	30%	0.296	S	S	.	.	S	Bend	trans	-78.6	64.9	179.2	-160.1	9.3	0	0	0	111	I101 T103 I161 K162 F164	D78-I101 WeakPolarHBondContact OD1-CG2 3.39Å; D78-T103 HydrophobicContact CB-CG2 3.95Å; D78-T103 PolarHBondContact OD2-OG1 2.04Å; D78-I161 HydrophobicContact CB-CG2 4.15Å; D78-K162 PolarHBondContact N-O 2.93Å; D78-F164 HydrophobicContact CB-CB 3.97Å
79	R	97.4	Very high	94.8	Very high	147 Å²	147	63.9 Å²	63.9	56%	0.555	32%	0.316	S	S	*	.	S	Bend	trans	-142.6	144.6	176.7	-72.1	-168	179.7	-126.7	-3.6	109.5	W72 N77 I101 N163	W72-R79 WeakPolarHBondContact CZ2-O 3.38Å; W72-R79 PolarHBondContact NE1-O 3.4Å; N77-R79 PolarHBondContact O-N 3.31Å; R79-I101 VanDerWaalsContact O-CD1 3.25Å; R79-I101 WeakPolarHBondContact O-CD1 3.35Å; R79-N163 HydrophobicContact CG-CB 4.23Å; R79-N163 PolarHBondContact NE-ND2 2.75Å; R79-N163 PolarHBondContact NE-OD1 3.37Å; R79-N163 PolarHBondContact NH2-OD1 3.14Å
80	H	97.5	Very high	94.5	Very high	93 Å²	93	64 Å²	64	43%	0.431	32%	0.316	S	S	.	.			trans	-65.7	148.7	176	-74	-62.9	0	0	0	113.3	W72 V82 L84 E99	W72-H80 VanDerWaalsContact CZ2-O 3.27Å; W72-H80 WeakPolarHBondContact CZ2-O 3.33Å; H80-V82 PolarHBondContact O-N 3.04Å; H80-L84 HydrophobicContact CB-CD1 4.27Å; H80-E99 WeakPolarHBondContact CA-OE1 3.12Å; H80-E99 PolarHBondContact CE1-O 2.91Å; H80-E99 VanDerWaalsContact CE1-O 3.26Å; H80-E99 IonicContact CG-OE1 3.34Å; H80-E99 IonicContact ND1-OE1 3.89Å; H80-E99 PolarHBondContact ND1-OE1 3.02Å; H80-E99 VanDerWaalsContact ND1-OE1 3.16Å
81	N	96.2	Very high	94.3	Very high	10 Å²	10	60.2 Å²	60.2	5%	0.053	30%	0.302	C	S	.	.			trans	-61.5	122.9	174.4	-171.6	-34.2	0	0	0	111.4	W72 H83 L84 M90 E99	W72-N81 HydrophobicContact CD2-CB 3.58Å; W72-N81 HydrophobicContact CE3-CB 3.91Å; W72-N81 HydrophobicContact CG-CB 3.93Å; W72-N81 HydrophobicContact CH2-CB 4.42Å; W72-N81 HydrophobicContact CZ2-CB 4.15Å; W72-N81 HydrophobicContact CZ3-CB 4.3Å; N81-H83 PolarHBondContact O-N 2.84Å; N81-H83 VanDerWaalsContact O-N 3.08Å; N81-H83 WeakPolarHBondContact OD1-CB 3.39Å; N81-H83 PolarHBondContact OD1-N 3.42Å; N81-L84 HydrophobicContact CB-CD1 4.23Å; N81-L84 HydrophobicContact CB-CD2 4.12Å; N81-L84 HydrophobicContact CB-CG 3.88Å; N81-L84 VanDerWaalsContact O-CD1 3.3Å; N81-L84 WeakPolarHBondContact O-CD1 3.48Å; N81-L84 WeakPolarHBondContact O-CG 3.33Å; N81-L84 PolarHBondContact O-N 2.84Å; N81-M90 VanDerWaalsContact CG-SD 3.53Å; N81-M90 PolarHBondContact ND2-SD 3.18Å; N81-E99 WeakPolarHBondContact CB-OE2 3.47Å; N81-E99 PolarHBondContact N-OE1 2.69Å
82	V	95.3	Very high	94	Very high	102 Å²	102	61.1 Å²	61.1	62%	0.618	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	2.1	-174.7	-63.3	0	0	0	0	113.8	H80	H80-V82 PolarHBondContact O-N 3.04Å
83	H	93.9	Very high	93.7	Very high	44 Å²	44	64 Å²	64	20%	0.204	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	6.8	-177.4	-58.8	-35.3	0	0	0	113.8	N81 S85 K86 Y89 M90	N81-H83 PolarHBondContact O-N 2.84Å; N81-H83 VanDerWaalsContact O-N 3.08Å; N81-H83 WeakPolarHBondContact OD1-CB 3.39Å; N81-H83 PolarHBondContact OD1-N 3.42Å; H83-S85 PolarHBondContact O-N 2.86Å; H83-K86 HydrophobicContact CB-CD 4.43Å; H83-K86 WeakPolarHBondContact O-CB 3.34Å; H83-K86 PolarHBondContact O-N 2.99Å; H83-Y89 HydrophobicContact CB-CD1 4.36Å; H83-M90 HydrophobicContact CB-CE 3.56Å; H83-M90 HydrophobicContact CB-CG 4.3Å; H83-M90 HydrophobicContact CB-SD 4.04Å; H83-M90 WeakPolarHBondContact O-CG 3.32Å
84	L	93.3	Very high	93.5	Very high	29 Å²	29	65.1 Å²	65.1	15%	0.152	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-34.1	-177.6	-71.7	170	0	0	0	114.5	H80 N81 M90 V97 E99	H80-L84 HydrophobicContact CB-CD1 4.27Å; N81-L84 HydrophobicContact CB-CD1 4.23Å; N81-L84 HydrophobicContact CB-CD2 4.12Å; N81-L84 HydrophobicContact CB-CG 3.88Å; N81-L84 VanDerWaalsContact O-CD1 3.3Å; N81-L84 WeakPolarHBondContact O-CD1 3.48Å; N81-L84 WeakPolarHBondContact O-CG 3.33Å; N81-L84 PolarHBondContact O-N 2.84Å; L84-M90 HydrophobicContact CD2-CG 4.44Å; L84-V97 WeakPolarHBondContact CB-O 3.4Å; L84-V97 HydrophobicContact CD2-CB 4.15Å; L84-V97 HydrophobicContact CD2-CG1 3.9Å; L84-V97 WeakPolarHBondContact CD2-O 3.46Å; L84-V97 PolarHBondContact O-N 2.87Å; L84-E99 HydrophobicContact CD1-CB 3.63Å; L84-E99 HydrophobicContact CD2-CB 3.88Å; L84-E99 HydrophobicContact CG-CB 4.43Å
85	S	91.2	Very high	93.2	Very high	106 Å²	106	62 Å²	62	74%	0.741	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-4.6	178.6	59.1	0	0	0	0	114.3	H83 A87	H83-S85 PolarHBondContact O-N 2.86Å; S85-A87 PolarHBondContact O-N 2.84Å
86	K	89.9	Confident	93	Very high	93 Å²	93	60.5 Å²	60.5	40%	0.404	33%	0.329	S	S	.	.	S	Bend	trans	-84.8	112.3	178.6	-65.3	-172.2	-179.1	-176.7	0	109.4	H83 H88 Y89	H83-K86 HydrophobicContact CB-CD 4.43Å; H83-K86 WeakPolarHBondContact O-CB 3.34Å; H83-K86 PolarHBondContact O-N 2.99Å; K86-H88 PolarHBondContact O-N 2.85Å; K86-Y89 HydrophobicContact CB-CD1 4.43Å; K86-Y89 HydrophobicContact CB-CD2 3.65Å; K86-Y89 HydrophobicContact CB-CE2 4.3Å; K86-Y89 HydrophobicContact CB-CG 3.74Å; K86-Y89 HydrophobicContact CD-CD1 4.15Å; K86-Y89 HydrophobicContact CD-CD2 4.34Å; K86-Y89 HydrophobicContact CD-CE1 4.17Å; K86-Y89 HydrophobicContact CD-CE2 4.34Å; K86-Y89 HydrophobicContact CD-CG 4.25Å; K86-Y89 WeakPolarHBondContact O-CB 3.47Å; K86-Y89 PolarHBondContact O-N 2.94Å
87	A	88.3	Confident	93	Very high	48 Å²	48	59.9 Å²	59.9	40%	0.397	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	134.6	178.5	0	0	0	0	0	111.5	S85 Y89 A95	S85-A87 PolarHBondContact O-N 2.84Å; A87-Y89 PolarHBondContact O-N 2.82Å; A87-Y89 VanDerWaalsContact O-N 3.14Å; A87-A95 VanDerWaalsContact CA-O 3.25Å; A87-A95 WeakPolarHBondContact CA-O 3.39Å; A87-A95 HydrophobicContact CB-CB 4.07Å; A87-A95 PolarHBondContact N-O 3.22Å
88	H	83.9	Confident	93	Very high	102 Å²	102	58.6 Å²	58.6	47%	0.472	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	0.1	178	-47.8	-70.2	0	0	0	116.6	K86 H91 P92	K86-H88 PolarHBondContact O-N 2.85Å; H88-H91 CarbonylContact C-O 3.53Å; H88-H91 VanDerWaalsContact CA-O 3.26Å; H88-H91 WeakPolarHBondContact CA-O 3.05Å; H88-P92 PolarHBondContact ND1-O 3.34Å
89	Y	87.5	Confident	93.1	Very high	115 Å²	115	57 Å²	57	45%	0.451	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-48	177.4	-88.9	-115.5	0	0	0	112.2	H83 K86 A87	H83-Y89 HydrophobicContact CB-CD1 4.36Å; K86-Y89 HydrophobicContact CB-CD1 4.43Å; K86-Y89 HydrophobicContact CB-CD2 3.65Å; K86-Y89 HydrophobicContact CB-CE2 4.3Å; K86-Y89 HydrophobicContact CB-CG 3.74Å; K86-Y89 HydrophobicContact CD-CD1 4.15Å; K86-Y89 HydrophobicContact CD-CD2 4.34Å; K86-Y89 HydrophobicContact CD-CE1 4.17Å; K86-Y89 HydrophobicContact CD-CE2 4.34Å; K86-Y89 HydrophobicContact CD-CG 4.25Å; K86-Y89 WeakPolarHBondContact O-CB 3.47Å; K86-Y89 PolarHBondContact O-N 2.94Å; A87-Y89 PolarHBondContact O-N 2.82Å; A87-Y89 VanDerWaalsContact O-N 3.14Å
90	M	92.1	Very high	93.2	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.015	29%	0.285	C	S	.	.	S	Bend	trans	-91.6	-17.1	-174.7	-62.9	-62.2	93.4	0	0	113.4	T68 N81 H83 L84 V97 L232	T68-M90 HydrophobicContact CG2-CB 4.12Å; T68-M90 HydrophobicContact CG2-CG 4.39Å; T68-M90 HydrophobicContact CG2-SD 3.51Å; T68-M90 VanDerWaalsContact CG2-SD 3.51Å; T68-M90 PolarHBondContact OG1-O 3.37Å; N81-M90 VanDerWaalsContact CG-SD 3.53Å; N81-M90 PolarHBondContact ND2-SD 3.18Å; H83-M90 HydrophobicContact CB-CE 3.56Å; H83-M90 HydrophobicContact CB-CG 4.3Å; H83-M90 HydrophobicContact CB-SD 4.04Å; H83-M90 WeakPolarHBondContact O-CG 3.32Å; L84-M90 HydrophobicContact CD2-CG 4.44Å; M90-V97 HydrophobicContact CB-CB 3.86Å; M90-V97 HydrophobicContact CB-CG1 4.29Å; M90-V97 HydrophobicContact CB-CG2 3.64Å; M90-L232 HydrophobicContact CE-CD1 3.36Å; M90-L232 HydrophobicContact CE-CD2 4.21Å; M90-L232 HydrophobicContact CE-CG 4.44Å
91	H	94.7	Very high	93.3	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.014	27%	0.266	C	S	.	.			trans	-155.7	138.9	178.4	-167.4	-87.1	0	0	0	110.3	D62 L65 H88 T93 F94 V97	D62-H91 IonicContact OD1-CD2 3.8Å; D62-H91 IonicContact OD1-NE2 3.2Å; D62-H91 PolarHBondContact OD1-NE2 2.92Å; D62-H91 IonicContact OD2-NE2 3.4Å; D62-H91 PolarHBondContact OD2-NE2 3.36Å; L65-H91 HydrophobicContact CD2-CB 4.19Å; H88-H91 CarbonylContact C-O 3.53Å; H88-H91 VanDerWaalsContact CA-O 3.26Å; H88-H91 WeakPolarHBondContact CA-O 3.05Å; H91-T93 VanDerWaalsContact C-N 3.29Å; H91-T93 PolarHBondContact CE1-OG1 3.4Å; H91-T93 PolarHBondContact ND1-N 2.95Å; H91-T93 VanDerWaalsContact ND1-N 3.14Å; H91-T93 PolarHBondContact ND1-OG1 3.49Å; H91-T93 PolarHBondContact O-N 3.11Å; H91-F94 HydrophobicContact CB-CB 4.13Å; H91-F94 HydrophobicContact CB-CD2 4.39Å; H91-F94 AromaticContact CE1-CD2 3.41Å; H91-F94 VanDerWaalsContact CE1-CD2 3.41Å; H91-F94 WeakPolarHBondContact CE1-CD2 3.39Å; H91-F94 AromaticContact CE1-CE2 3.72Å; H91-F94 AromaticContact CG-CD2 3.62Å; H91-F94 AromaticContact ND1-CD2 3.18Å; H91-F94 WeakPolarHBondContact ND1-CD2 3.08Å; H91-F94 AromaticContact ND1-CE2 3.96Å; H91-F94 AromaticContact ND1-CG 3.93Å; H91-F94 PolarHBondContact ND1-N 3.23Å; H91-F94 AromaticContact NE2-CD2 3.94Å; H91-V97 HydrophobicContact CB-CG2 3.92Å
92	P	89.9	Confident	93.4	Very high	42 Å²	42	46.4 Å²	46.4	27%	0.273	27%	0.267	S	S	.	.	S	Bend	trans	-62.6	-31.3	-176.2	23.1	-34.7	0	0	0	114.2	H88	H88-P92 PolarHBondContact ND1-O 3.34Å
93	T	92	Very high	93.5	Very high	96 Å²	96	42.5 Å²	42.5	59%	0.589	24%	0.243	S	C	*	.	S	Bend	trans	-110.3	-20.1	-173.2	64.4	0	0	0	0	115.2	H91	H91-T93 VanDerWaalsContact C-N 3.29Å; H91-T93 PolarHBondContact CE1-OG1 3.4Å; H91-T93 PolarHBondContact ND1-N 2.95Å; H91-T93 VanDerWaalsContact ND1-N 3.14Å; H91-T93 PolarHBondContact ND1-OG1 3.49Å; H91-T93 PolarHBondContact O-N 3.11Å
94	F	92.6	Very high	93.7	Very high	25 Å²	25	40.7 Å²	40.7	11%	0.11	24%	0.236	C	C	.	.			trans	-100.6	132.1	-175	-68.6	-71.1	0	0	0	109.9	H91 Y148 K149 A177 P178	H91-F94 HydrophobicContact CB-CB 4.13Å; H91-F94 HydrophobicContact CB-CD2 4.39Å; H91-F94 AromaticContact CE1-CD2 3.41Å; H91-F94 VanDerWaalsContact CE1-CD2 3.41Å; H91-F94 WeakPolarHBondContact CE1-CD2 3.39Å; H91-F94 AromaticContact CE1-CE2 3.72Å; H91-F94 AromaticContact CG-CD2 3.62Å; H91-F94 AromaticContact ND1-CD2 3.18Å; H91-F94 WeakPolarHBondContact ND1-CD2 3.08Å; H91-F94 AromaticContact ND1-CE2 3.96Å; H91-F94 AromaticContact ND1-CG 3.93Å; H91-F94 PolarHBondContact ND1-N 3.23Å; H91-F94 AromaticContact NE2-CD2 3.94Å; F94-Y148 HydrophobicContact CE1-CE1 4.13Å; F94-Y148 AromaticContact CE1-CZ 3.83Å; F94-Y148 WeakPolarHBondContact CE1-OH 3.22Å; F94-Y148 HydrophobicContact CZ-CE1 4.34Å; F94-Y148 HydrophobicContact CZ-CE2 4.18Å; F94-Y148 AromaticContact CZ-CZ 3.69Å; F94-Y148 VanDerWaalsContact CZ-OH 3.3Å; F94-Y148 WeakPolarHBondContact CZ-OH 2.94Å; F94-K149 HydrophobicContact CE2-CB 4.34Å; F94-K149 HydrophobicContact CE2-CG 3.94Å; F94-K149 HydrophobicContact CZ-CG 3.91Å; F94-A177 HydrophobicContact CB-CB 3.98Å; F94-A177 HydrophobicContact CD1-CB 4.03Å; F94-A177 HydrophobicContact CD2-CB 3.24Å; F94-A177 HydrophobicContact CE1-CB 4.32Å; F94-A177 HydrophobicContact CE2-CB 3.64Å; F94-A177 HydrophobicContact CG-CB 3.5Å; F94-A177 HydrophobicContact CZ-CB 4.16Å; F94-P178 HydrophobicContact CD1-CG 4.05Å; F94-P178 HydrophobicContact CE1-CG 4.13Å
95	A	91.9	Very high	93.8	Very high	63 Å²	63	42.3 Å²	42.3	52%	0.521	25%	0.249	S	C	.	.	S	Bend	trans	-76	-24.6	-178.9	0	0	0	0	0	113.1	A87	A87-A95 VanDerWaalsContact CA-O 3.25Å; A87-A95 WeakPolarHBondContact CA-O 3.39Å; A87-A95 HydrophobicContact CB-CB 4.07Å; A87-A95 PolarHBondContact N-O 3.22Å
96	S	93.5	Very high	93.9	Very high	47 Å²	47	39.1 Å²	39.1	33%	0.329	22%	0.223	S	C	.	.			trans	-134.5	146	173.8	70.3	0	0	0	0	110.5	G179	S96-G179 PolarHBondContact O-N 3.49Å; S96-G179 VanDerWaalsContact O-N 3.15Å; S96-G179 PolarHBondContact OG-N 3.19Å; S96-G179 VanDerWaalsContact OG-N 3.12Å
97	V	97.7	Very high	94.1	Very high	8 Å²	8	40.2 Å²	40.2	5%	0.048	23%	0.233	C	C	.	.			trans	-126.7	131.8	174.1	173.3	0	0	0	0	107.9	L65 L84 M90 H91 N175 Y176	L65-V97 HydrophobicContact CD2-CG1 3.91Å; L65-V97 HydrophobicContact CD2-CG2 3.88Å; L84-V97 WeakPolarHBondContact CB-O 3.4Å; L84-V97 HydrophobicContact CD2-CB 4.15Å; L84-V97 HydrophobicContact CD2-CG1 3.9Å; L84-V97 WeakPolarHBondContact CD2-O 3.46Å; L84-V97 PolarHBondContact O-N 2.87Å; M90-V97 HydrophobicContact CB-CB 3.86Å; M90-V97 HydrophobicContact CB-CG1 4.29Å; M90-V97 HydrophobicContact CB-CG2 3.64Å; H91-V97 HydrophobicContact CB-CG2 3.92Å; V97-N175 HydrophobicContact CG1-CB 3.62Å; V97-Y176 CarbonylContact C-O 3.56Å; V97-Y176 VanDerWaalsContact CA-O 3.3Å; V97-Y176 WeakPolarHBondContact CA-O 3.23Å
98	G	98.2	Very high	94.5	Very high	8 Å²	8	44 Å²	44	8%	0.082	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	164.9	171.3	0	0	0	0	0	110.9	N175 Y176	G98-N175 CarbonylContact O-C 3.58Å; G98-N175 WeakPolarHBondContact O-CA 3.18Å; G98-N175 PolarHBondContact O-ND2 2.99Å; G98-Y176 PolarHBondContact N-O 3Å; G98-Y176 PolarHBondContact O-N 3.46Å
99	E	98.8	Very high	95.1	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.056	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	131.8	-179	-173.8	171.1	77	0	0	112.1	H80 N81 L84 I101 V173 C174 N175	H80-E99 WeakPolarHBondContact CA-OE1 3.12Å; H80-E99 PolarHBondContact CE1-O 2.91Å; H80-E99 VanDerWaalsContact CE1-O 3.26Å; H80-E99 IonicContact CG-OE1 3.34Å; H80-E99 IonicContact ND1-OE1 3.89Å; H80-E99 PolarHBondContact ND1-OE1 3.02Å; H80-E99 VanDerWaalsContact ND1-OE1 3.16Å; N81-E99 WeakPolarHBondContact CB-OE2 3.47Å; N81-E99 PolarHBondContact N-OE1 2.69Å; L84-E99 HydrophobicContact CD1-CB 3.63Å; L84-E99 HydrophobicContact CD2-CB 3.88Å; L84-E99 HydrophobicContact CG-CB 4.43Å; E99-I101 HydrophobicContact CG-CG1 4.04Å; E99-V173 HydrophobicContact CG-CG1 3.8Å; E99-C174 WeakPolarHBondContact CA-O 3.38Å; E99-N175 WeakPolarHBondContact CB-ND2 3.49Å; E99-N175 WeakPolarHBondContact CG-ND2 3.25Å; E99-N175 PolarHBondContact OE2-ND2 3.01Å
100	N	98.9	Very high	95.6	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	141.6	163	-73.9	-1.3	0	0	0	109.1	W118 H138 V173 C174 Y176	N100-W118 HydrophobicContact CB-CD2 3.85Å; N100-W118 HydrophobicContact CB-CE3 3.96Å; N100-W118 HydrophobicContact CB-CH2 3.67Å; N100-W118 HydrophobicContact CB-CZ2 3.54Å; N100-W118 HydrophobicContact CB-CZ3 3.87Å; N100-H138 WeakPolarHBondContact ND2-CA 3.42Å; N100-H138 PolarHBondContact ND2-O 3.25Å; N100-V173 WeakPolarHBondContact O-CA 3.4Å; N100-C174 PolarHBondContact N-O 3.47Å; N100-C174 PolarHBondContact O-N 2.98Å; N100-Y176 HydrophobicContact CB-CE2 3.91Å; N100-Y176 PolarHBondContact ND2-OH 3.08Å
101	I	98.8	Very high	95.9	Very high	10 Å²	10	37.4 Å²	37.4	5%	0.051	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	137.4	175.7	-56.1	-176.1	0	0	0	108.3	D78 R79 E99 T103 W118 I171 F172 V173	D78-I101 WeakPolarHBondContact OD1-CG2 3.39Å; R79-I101 VanDerWaalsContact O-CD1 3.25Å; R79-I101 WeakPolarHBondContact O-CD1 3.35Å; E99-I101 HydrophobicContact CG-CG1 4.04Å; I101-T103 HydrophobicContact CG2-CG2 4.05Å; I101-W118 PolarHBondContact O-NE1 3.49Å; I101-I171 HydrophobicContact CG2-CD1 3.92Å; I101-I171 HydrophobicContact CG2-CG1 3.82Å; I101-F172 CarbonylContact C-O 3.56Å; I101-F172 WeakPolarHBondContact CA-O 3.49Å; I101-V173 HydrophobicContact CG1-CG1 4.49Å; I101-V173 HydrophobicContact CG1-CG2 4.23Å; I101-V173 HydrophobicContact CG2-CG2 4.46Å
102	W	98.6	Very high	96.1	Very high	16 Å²	16	42 Å²	42	6%	0.061	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.4	167.1	174.6	97.1	0	0	0	107.9	F109 A114 K117 W118 A170 I171 F172	W102-F109 AromaticContact CE3-CD2 3.83Å; W102-F109 HydrophobicContact CE3-CD2 3.83Å; W102-F109 HydrophobicContact CH2-CB 3.78Å; W102-F109 HydrophobicContact CH2-CD2 4.14Å; W102-F109 HydrophobicContact CH2-CG 4.46Å; W102-F109 HydrophobicContact CZ3-CB 3.88Å; W102-F109 AromaticContact CZ3-CD2 3.62Å; W102-F109 HydrophobicContact CZ3-CD2 3.62Å; W102-F109 HydrophobicContact CZ3-CG 4.16Å; W102-A114 HydrophobicContact CB-CB 4.05Å; W102-A114 HydrophobicContact CD2-CB 4Å; W102-A114 HydrophobicContact CG-CB 3.67Å; W102-K117 VanDerWaalsContact NE1-CD 3.28Å; W102-W118 HydrophobicContact CB-CZ2 3.75Å; W102-A170 HydrophobicContact CZ3-CB 4.08Å; W102-A170 WeakPolarHBondContact CZ3-O 3.47Å; W102-I171 CarbonylContact O-C 3.51Å; W102-I171 WeakPolarHBondContact O-CA 3.34Å; W102-F172 HydrophobicContact CB-CB 4.24Å; W102-F172 HydrophobicContact CB-CD1 4.25Å; W102-F172 HydrophobicContact CE3-CB 4.05Å; W102-F172 PolarHBondContact N-O 3.36Å; W102-F172 PolarHBondContact O-N 3.29Å
103	T	98.4	Very high	96.5	Very high	20 Å²	20	41.7 Å²	41.7	12%	0.123	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142	178.1	45.5	0	0	0	0	109.3	D78 I101 I161 F164 I171	D78-T103 HydrophobicContact CB-CG2 3.95Å; D78-T103 PolarHBondContact OD2-OG1 2.04Å; I101-T103 HydrophobicContact CG2-CG2 4.05Å; T103-I161 HydrophobicContact CG2-CD1 4.27Å; T103-I161 HydrophobicContact CG2-CG2 3.9Å; T103-F164 WeakPolarHBondContact OG1-CD2 3.21Å; T103-I171 HydrophobicContact CG2-CB 4.2Å; T103-I171 HydrophobicContact CG2-CD1 4.02Å; T103-I171 HydrophobicContact CG2-CG1 3.79Å
104	G	96.9	Very high	96.8	Very high	5 Å²	5	37.1 Å²	37.1	5%	0.052	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.3	-178.9	175.5	0	0	0	0	0	114.5	G169 A170	G104-G169 CarbonylContact O-C 3.58Å; G104-G169 VanDerWaalsContact O-CA 3.25Å; G104-G169 WeakPolarHBondContact O-CA 3.39Å; G104-A170 PolarHBondContact N-O 2.85Å; G104-A170 VanDerWaalsContact N-O 3.17Å; G104-A170 PolarHBondContact O-N 3.17Å
105	P	95.5	Very high	97.1	Very high	64 Å²	64	36 Å²	36	42%	0.416	21%	0.205	S	C	.	.			trans	-59.2	142.9	177.9	-22.9	33.6	0	0	0	112	D107 K108	P105-D107 VanDerWaalsContact C-N 3.28Å; P105-D107 VanDerWaalsContact CB-OD1 3.27Å; P105-D107 WeakPolarHBondContact CB-OD1 3.24Å; P105-D107 PolarHBondContact O-N 2.85Å; P105-K108 HydrophobicContact CB-CG 4.08Å; P105-K108 HydrophobicContact CG-CG 4.28Å; P105-K108 PolarHBondContact O-N 2.87Å
106	L	94.7	Very high	97.4	Very high	39 Å²	39	36.3 Å²	36.3	20%	0.204	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-58.4	-38.4	-175.7	-178.9	63.6	0	0	0	112.6	V24 L26 K108 F109 Y156 A170	V24-L106 HydrophobicContact CB-CD2 4.01Å; V24-L106 HydrophobicContact CG1-CD1 4.39Å; V24-L106 HydrophobicContact CG1-CD2 4.09Å; V24-L106 HydrophobicContact CG1-CG 4.14Å; L26-L106 HydrophobicContact CD1-CD1 3.95Å; L26-L106 HydrophobicContact CD2-CD1 3.69Å; L26-L106 HydrophobicContact CG-CD1 3.9Å; L106-K108 PolarHBondContact O-N 2.94Å; L106-F109 PolarHBondContact O-N 2.95Å; L106-Y156 HydrophobicContact CB-CD2 4.41Å; L106-Y156 HydrophobicContact CD1-CD2 4.21Å; L106-Y156 HydrophobicContact CD2-CD2 3.87Å; L106-Y156 HydrophobicContact CD2-CE2 4.03Å; L106-Y156 HydrophobicContact CD2-CG 4.49Å; L106-Y156 HydrophobicContact CG-CD2 4.4Å; L106-A170 HydrophobicContact CD1-CB 3.98Å
107	D	93.9	Very high	97.7	Very high	116 Å²	116	40 Å²	40	62%	0.62	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-71.6	-12.6	180	73.8	-48.1	0	0	0	113.8	P105	P105-D107 VanDerWaalsContact C-N 3.28Å; P105-D107 VanDerWaalsContact CB-OD1 3.27Å; P105-D107 WeakPolarHBondContact CB-OD1 3.24Å; P105-D107 PolarHBondContact O-N 2.85Å
108	K	95.3	Very high	97.7	Very high	127 Å²	127	40 Å²	40	55%	0.552	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-95.7	-8.8	176.4	-56.7	-53.4	177.4	-140.8	0	113.1	P105 L106 S110 S113	P105-K108 HydrophobicContact CB-CG 4.08Å; P105-K108 HydrophobicContact CG-CG 4.28Å; P105-K108 PolarHBondContact O-N 2.87Å; L106-K108 PolarHBondContact O-N 2.94Å; K108-S110 PolarHBondContact O-N 3.05Å; K108-S113 PolarHBondContact O-OG 2.83Å; K108-S113 VanDerWaalsContact O-OG 3.06Å
109	F	97.1	Very high	97.8	Very high	31 Å²	31	40.8 Å²	40.8	14%	0.136	21%	0.208	C	C	.	.			trans	-76.8	126.6	-178.5	177.7	-103.2	0	0	0	111.5	L26 W102 L106 V111 A114 V154 A170 F172	L26-F109 HydrophobicContact CD2-CD1 3.67Å; L26-F109 HydrophobicContact CD2-CE1 4.05Å; W102-F109 AromaticContact CE3-CD2 3.83Å; W102-F109 HydrophobicContact CE3-CD2 3.83Å; W102-F109 HydrophobicContact CH2-CB 3.78Å; W102-F109 HydrophobicContact CH2-CD2 4.14Å; W102-F109 HydrophobicContact CH2-CG 4.46Å; W102-F109 HydrophobicContact CZ3-CB 3.88Å; W102-F109 AromaticContact CZ3-CD2 3.62Å; W102-F109 HydrophobicContact CZ3-CD2 3.62Å; W102-F109 HydrophobicContact CZ3-CG 4.16Å; L106-F109 PolarHBondContact O-N 2.95Å; F109-V111 HydrophobicContact CZ-CG2 4.25Å; F109-A114 HydrophobicContact CD2-CB 4.48Å; F109-A114 HydrophobicContact CE2-CB 4.22Å; F109-V154 HydrophobicContact CD1-CG2 3.97Å; F109-V154 HydrophobicContact CD2-CG2 4.13Å; F109-V154 HydrophobicContact CE1-CB 3.93Å; F109-V154 HydrophobicContact CE1-CG1 3.74Å; F109-V154 HydrophobicContact CE1-CG2 3.71Å; F109-V154 HydrophobicContact CE2-CB 4.25Å; F109-V154 HydrophobicContact CE2-CG2 3.89Å; F109-V154 HydrophobicContact CG-CG2 4.17Å; F109-V154 HydrophobicContact CZ-CB 3.69Å; F109-V154 HydrophobicContact CZ-CG1 3.89Å; F109-V154 HydrophobicContact CZ-CG2 3.66Å; F109-A170 HydrophobicContact CB-CB 4.34Å; F109-F172 HydrophobicContact CD2-CB 4.18Å; F109-F172 HydrophobicContact CE2-CB 3.53Å; F109-F172 HydrophobicContact CE2-CD1 4.11Å; F109-F172 AromaticContact CE2-CD2 3.86Å; F109-F172 HydrophobicContact CE2-CD2 3.86Å; F109-F172 AromaticContact CE2-CG 3.59Å; F109-F172 HydrophobicContact CE2-CG 3.59Å; F109-F172 HydrophobicContact CZ-CB 4.31Å; F109-F172 AromaticContact CZ-CD2 3.91Å; F109-F172 HydrophobicContact CZ-CD2 3.91Å; F109-F172 HydrophobicContact CZ-CE2 4.38Å; F109-F172 HydrophobicContact CZ-CG 4.13Å
110	S	98.1	Very high	97.8	Very high	47 Å²	47	43.6 Å²	43.6	33%	0.329	22%	0.224	S	C	.	.			trans	-146.5	154.5	154.2	64.6	0	0	0	0	106.6	K108 K112 S113 A114	K108-S110 PolarHBondContact O-N 3.05Å; S110-K112 PolarHBondContact O-N 3Å; S110-S113 PolarHBondContact N-OG 3.32Å; S110-S113 PolarHBondContact O-N 3.16Å; S110-S113 PolarHBondContact O-OG 3.14Å; S110-S113 VanDerWaalsContact O-OG 3.08Å; S110-S113 WeakPolarHBondContact OG-CB 3.13Å; S110-S113 PolarHBondContact OG-N 3.12Å; S110-S113 PolarHBondContact OG-OG 3.16Å; S110-A114 WeakPolarHBondContact O-CB 3.4Å; S110-A114 PolarHBondContact O-N 3.02Å
111	V	98.6	Very high	97.8	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.024	23%	0.229	C	C	.	.	H	α-helix	trans	-55.6	-47.3	177.2	171.7	0	0	0	0	110.1	F34 E37 C38 F109 S113 A114 I115 F172	F34-V111 HydrophobicContact CD2-CG2 3.38Å; F34-V111 HydrophobicContact CE2-CG2 3.48Å; F34-V111 VanDerWaalsContact CE2-CG2 3.48Å; E37-V111 HydrophobicContact CB-CB 4.4Å; E37-V111 HydrophobicContact CB-CG1 4.21Å; E37-V111 HydrophobicContact CG-CB 3.91Å; E37-V111 HydrophobicContact CG-CG1 3.87Å; E37-V111 WeakPolarHBondContact OE2-CB 3.36Å; C38-V111 HydrophobicContact CB-CG1 4.26Å; C38-V111 VanDerWaalsContact SG-CG1 3.54Å; F109-V111 HydrophobicContact CZ-CG2 4.25Å; V111-S113 PolarHBondContact O-N 3.29Å; V111-A114 PolarHBondContact O-N 3.29Å; V111-I115 HydrophobicContact CG1-CD1 3.52Å; V111-I115 HydrophobicContact CG1-CG1 4.41Å; V111-I115 WeakPolarHBondContact O-CB 3.39Å; V111-I115 WeakPolarHBondContact O-CG1 3.5Å; V111-I115 PolarHBondContact O-N 3.08Å; V111-F172 HydrophobicContact CG1-CZ 4.45Å
112	K	98.6	Very high	97.7	Very high	99 Å²	99	46 Å²	46	43%	0.43	24%	0.241	S	C	.	.	H	α-helix	trans	-57.6	-48.6	176.8	-178.7	174.6	-177.1	178.6	0	113.2	E41 S110 A114 Q116	E41-K112 HydrophobicContact CG-CB 4.23Å; E41-K112 HydrophobicContact CG-CG 4.35Å; E41-K112 WeakPolarHBondContact OE1-CD 3.43Å; S110-K112 PolarHBondContact O-N 3Å; K112-A114 PolarHBondContact O-N 3.41Å; K112-Q116 WeakPolarHBondContact O-CB 3.46Å; K112-Q116 PolarHBondContact O-N 2.93Å
113	S	98.3	Very high	97.7	Very high	36 Å²	36	52.7 Å²	52.7	25%	0.252	27%	0.27	S	S	.	.	H	α-helix	trans	-66.6	-37	-179.2	65.1	0	0	0	0	112.5	K108 S110 V111 K117	K108-S113 PolarHBondContact O-OG 2.83Å; K108-S113 VanDerWaalsContact O-OG 3.06Å; S110-S113 PolarHBondContact N-OG 3.32Å; S110-S113 PolarHBondContact O-N 3.16Å; S110-S113 PolarHBondContact O-OG 3.14Å; S110-S113 VanDerWaalsContact O-OG 3.08Å; S110-S113 WeakPolarHBondContact OG-CB 3.13Å; S110-S113 PolarHBondContact OG-N 3.12Å; S110-S113 PolarHBondContact OG-OG 3.16Å; V111-S113 PolarHBondContact O-N 3.29Å; S113-K117 WeakPolarHBondContact O-CG 3.28Å; S113-K117 PolarHBondContact O-N 3.37Å; S113-K117 VanDerWaalsContact O-N 3.08Å
114	A	98.7	Very high	97.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.1	-49.5	177.9	0	0	0	0	0	111.8	W102 F109 S110 V111 K112 Q116 K117 W118 F172	W102-A114 HydrophobicContact CB-CB 4.05Å; W102-A114 HydrophobicContact CD2-CB 4Å; W102-A114 HydrophobicContact CG-CB 3.67Å; F109-A114 HydrophobicContact CD2-CB 4.48Å; F109-A114 HydrophobicContact CE2-CB 4.22Å; S110-A114 WeakPolarHBondContact O-CB 3.4Å; S110-A114 PolarHBondContact O-N 3.02Å; V111-A114 PolarHBondContact O-N 3.29Å; K112-A114 PolarHBondContact O-N 3.41Å; A114-Q116 PolarHBondContact O-N 3.41Å; A114-K117 WeakPolarHBondContact O-CB 3.24Å; A114-K117 PolarHBondContact O-N 2.94Å; A114-W118 PolarHBondContact O-N 3.26Å; A114-F172 HydrophobicContact CB-CD1 3.6Å; A114-F172 HydrophobicContact CB-CE1 3.95Å; A114-F172 HydrophobicContact CB-CG 4.5Å
115	I	98.9	Very high	97.7	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-40.9	177.3	-65.6	168.5	0	0	0	110.6	E41 H42 V111 K117 W118 V119 F172	E41-I115 HydrophobicContact CB-CB 4.36Å; E41-I115 HydrophobicContact CB-CD1 3.86Å; E41-I115 HydrophobicContact CB-CG2 4.1Å; H42-I115 WeakPolarHBondContact CE1-CD1 3.3Å; V111-I115 HydrophobicContact CG1-CD1 3.52Å; V111-I115 HydrophobicContact CG1-CG1 4.41Å; V111-I115 WeakPolarHBondContact O-CB 3.39Å; V111-I115 WeakPolarHBondContact O-CG1 3.5Å; V111-I115 PolarHBondContact O-N 3.08Å; I115-K117 VanDerWaalsContact C-N 3.28Å; I115-K117 PolarHBondContact O-N 2.79Å; I115-W118 HydrophobicContact CB-CE3 4.44Å; I115-W118 HydrophobicContact CG1-CE3 4.08Å; I115-W118 HydrophobicContact CG1-CZ3 3.97Å; I115-W118 WeakPolarHBondContact O-CB 3.44Å; I115-W118 PolarHBondContact O-N 2.81Å; I115-W118 VanDerWaalsContact O-N 3.11Å; I115-V119 HydrophobicContact CG2-CG2 4.15Å; I115-V119 WeakPolarHBondContact O-CG2 3.45Å; I115-V119 PolarHBondContact O-N 2.87Å; I115-F172 HydrophobicContact CG1-CE1 4.21Å
116	Q	98.8	Very high	97.8	Very high	69 Å²	69	55.2 Å²	55.2	32%	0.322	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-38.4	177	-172.7	63.1	60.4	0	0	111.6	K112 A114 W118 V119 D120	K112-Q116 WeakPolarHBondContact O-CB 3.46Å; K112-Q116 PolarHBondContact O-N 2.93Å; A114-Q116 PolarHBondContact O-N 3.41Å; Q116-W118 VanDerWaalsContact C-N 3.33Å; Q116-W118 PolarHBondContact O-N 2.03Å; Q116-V119 CarbonylContact O-C 3.19Å; Q116-V119 PolarHBondContact O-N 3.28Å; Q116-V119 VanDerWaalsContact O-N 3.16Å; Q116-D120 PolarHBondContact NE2-OD1 3.17Å; Q116-D120 WeakPolarHBondContact O-CB 3.4Å; Q116-D120 PolarHBondContact O-N 3.49Å
117	K	98.7	Very high	97.8	Very high	126 Å²	126	54.8 Å²	54.8	55%	0.548	27%	0.273	S	S	.	.	H	α-helix	trans	-60.2	-41.1	174.2	-85.6	169.3	168.2	-85.7	0	112.6	W102 S113 A114 I115	W102-K117 VanDerWaalsContact NE1-CD 3.28Å; S113-K117 WeakPolarHBondContact O-CG 3.28Å; S113-K117 PolarHBondContact O-N 3.37Å; S113-K117 VanDerWaalsContact O-N 3.08Å; A114-K117 WeakPolarHBondContact O-CB 3.24Å; A114-K117 PolarHBondContact O-N 2.94Å; I115-K117 VanDerWaalsContact C-N 3.28Å; I115-K117 PolarHBondContact O-N 2.79Å
118	W	98.9	Very high	97.8	Very high	7 Å²	7	58.3 Å²	58.3	3%	0.027	28%	0.283	C	S	.	.	H	α-helix	trans	-65.1	-43.4	172.9	-61.5	-30.4	0	0	0	111.4	N100 I101 W102 A114 I115 Q116 D120 E121 H138 Y139 V142 F172 C174 Y176	N100-W118 HydrophobicContact CB-CD2 3.85Å; N100-W118 HydrophobicContact CB-CE3 3.96Å; N100-W118 HydrophobicContact CB-CH2 3.67Å; N100-W118 HydrophobicContact CB-CZ2 3.54Å; N100-W118 HydrophobicContact CB-CZ3 3.87Å; I101-W118 PolarHBondContact O-NE1 3.49Å; W102-W118 HydrophobicContact CB-CZ2 3.75Å; A114-W118 PolarHBondContact O-N 3.26Å; I115-W118 HydrophobicContact CB-CE3 4.44Å; I115-W118 HydrophobicContact CG1-CE3 4.08Å; I115-W118 HydrophobicContact CG1-CZ3 3.97Å; I115-W118 WeakPolarHBondContact O-CB 3.44Å; I115-W118 PolarHBondContact O-N 2.81Å; I115-W118 VanDerWaalsContact O-N 3.11Å; Q116-W118 VanDerWaalsContact C-N 3.33Å; Q116-W118 PolarHBondContact O-N 2.03Å; W118-D120 VanDerWaalsContact C-N 3.32Å; W118-D120 PolarHBondContact O-N 3.08Å; W118-E121 WeakPolarHBondContact O-CB 3.49Å; W118-E121 WeakPolarHBondContact O-CG 3.45Å; W118-E121 PolarHBondContact O-N 2.85Å; W118-H138 HydrophobicContact CB-CB 3.6Å; W118-H138 VanDerWaalsContact CD1-CB 3.46Å; W118-H138 AromaticContact CD1-CD2 3.83Å; W118-H138 AromaticContact CD1-CG 3.54Å; W118-H138 HydrophobicContact CG-CB 3.61Å; W118-H138 AromaticContact NE1-CD2 3.85Å; W118-Y139 WeakPolarHBondContact O-CA 3.3Å; W118-Y139 WeakPolarHBondContact O-CB 3.32Å; W118-Y139 PolarHBondContact O-N 3.17Å; W118-V142 HydrophobicContact CB-CG2 4.22Å; W118-V142 HydrophobicContact CE3-CG2 4.18Å; W118-F172 AromaticContact CH2-CD1 3.55Å; W118-F172 HydrophobicContact CH2-CD1 3.55Å; W118-F172 AromaticContact CH2-CE1 3.42Å; W118-F172 HydrophobicContact CH2-CE1 3.42Å; W118-F172 VanDerWaalsContact CH2-CE1 3.42Å; W118-F172 HydrophobicContact CH2-CZ 4.47Å; W118-F172 AromaticContact CZ2-CD1 3.96Å; W118-F172 HydrophobicContact CZ2-CD1 3.96Å; W118-F172 HydrophobicContact CZ2-CE1 4.24Å; W118-F172 HydrophobicContact CZ3-CD1 4.36Å; W118-F172 AromaticContact CZ3-CE1 3.82Å; W118-F172 HydrophobicContact CZ3-CE1 3.82Å; W118-C174 HydrophobicContact CH2-CB 3.91Å; W118-C174 HydrophobicContact CZ3-CB 4.01Å; W118-Y176 WeakPolarHBondContact CZ3-OH 3.3Å
119	V	98.9	Very high	97.6	Very high	24 Å²	24	55.4 Å²	55.4	15%	0.145	29%	0.289	C	S	.	.	H	α-helix	trans	-65.2	-35.2	179	173	0	0	0	0	112.1	A45 I115 Q116 E121 A122 V142	A45-V119 HydrophobicContact CB-CG1 4.28Å; A45-V119 HydrophobicContact CB-CG2 3.57Å; I115-V119 HydrophobicContact CG2-CG2 4.15Å; I115-V119 WeakPolarHBondContact O-CG2 3.45Å; I115-V119 PolarHBondContact O-N 2.87Å; Q116-V119 CarbonylContact O-C 3.19Å; Q116-V119 PolarHBondContact O-N 3.28Å; Q116-V119 VanDerWaalsContact O-N 3.16Å; V119-E121 PolarHBondContact O-N 3.26Å; V119-E121 VanDerWaalsContact O-N 3.14Å; V119-A122 WeakPolarHBondContact O-CB 3.34Å; V119-A122 PolarHBondContact O-N 2.9Å; V119-V142 HydrophobicContact CG2-CG1 3.95Å
120	D	98.8	Very high	97.4	Very high	72 Å²	72	55.9 Å²	55.9	39%	0.385	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-63.9	-17.6	-179.5	-74.6	-15	0	0	0	113.1	Q116 W118 A122 K123	Q116-D120 PolarHBondContact NE2-OD1 3.17Å; Q116-D120 WeakPolarHBondContact O-CB 3.4Å; Q116-D120 PolarHBondContact O-N 3.49Å; W118-D120 VanDerWaalsContact C-N 3.32Å; W118-D120 PolarHBondContact O-N 3.08Å; D120-A122 PolarHBondContact O-N 3.38Å; D120-K123 VanDerWaalsContact O-CD 3.24Å; D120-K123 WeakPolarHBondContact O-CD 2.95Å; D120-K123 WeakPolarHBondContact O-CG 3.41Å; D120-K123 PolarHBondContact O-N 2.97Å
121	E	98.8	Very high	97.2	Very high	25 Å²	25	60.3 Å²	60.3	12%	0.117	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-62.6	-16.6	170.5	-61.8	-177.9	167.6	0	0	112.9	W118 V119 K123 H124 Y125 V135 C136 H138 Y139	W118-E121 WeakPolarHBondContact O-CB 3.49Å; W118-E121 WeakPolarHBondContact O-CG 3.45Å; W118-E121 PolarHBondContact O-N 2.85Å; V119-E121 PolarHBondContact O-N 3.26Å; V119-E121 VanDerWaalsContact O-N 3.14Å; E121-K123 PolarHBondContact O-N 2.98Å; E121-H124 WeakPolarHBondContact O-CB 3.44Å; E121-H124 PolarHBondContact O-N 3.2Å; E121-Y125 PolarHBondContact O-N 2.82Å; E121-V135 WeakPolarHBondContact CB-O 3.11Å; E121-V135 VanDerWaalsContact OE1-CG1 3.27Å; E121-V135 WeakPolarHBondContact OE1-CG1 3.43Å; E121-C136 VanDerWaalsContact OE2-C 3.23Å; E121-C136 WeakPolarHBondContact OE2-CA 3.23Å; E121-H138 IonicContact OE1-CE1 3.16Å; E121-H138 IonicContact OE1-CG 3.8Å; E121-H138 IonicContact OE1-ND1 3.64Å; E121-H138 PolarHBondContact OE1-ND1 3.29Å; E121-H138 VanDerWaalsContact OE2-CB 3.29Å; E121-H138 WeakPolarHBondContact OE2-CB 3.34Å; E121-H138 IonicContact OE2-CG 3.16Å; E121-H138 PolarHBondContact OE2-N 3Å; E121-H138 VanDerWaalsContact OE2-N 3.07Å; E121-H138 IonicContact OE2-ND1 2.66Å; E121-Y139 PolarHBondContact OE2-N 2.91Å; E121-Y139 VanDerWaalsContact OE2-N 3.16Å
122	A	98.1	Very high	97.1	Very high	37 Å²	37	62.7 Å²	62.7	31%	0.306	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-51	-30.2	170.9	0	0	0	0	0	112.9	V119 D120 H124 Y125 Y139	V119-A122 WeakPolarHBondContact O-CB 3.34Å; V119-A122 PolarHBondContact O-N 2.9Å; D120-A122 PolarHBondContact O-N 3.38Å; A122-H124 PolarHBondContact O-N 3.14Å; A122-Y125 PolarHBondContact O-N 3.5Å; A122-Y125 VanDerWaalsContact O-N 3.16Å; A122-Y139 HydrophobicContact CB-CD1 4.2Å; A122-Y139 HydrophobicContact CB-CD2 3.72Å; A122-Y139 HydrophobicContact CB-CE1 4.05Å; A122-Y139 HydrophobicContact CB-CE2 3.54Å; A122-Y139 HydrophobicContact CB-CG 4.03Å
123	K	98	Very high	97.1	Very high	158 Å²	158	61.7 Å²	61.7	69%	0.687	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-64.1	-18.5	176.6	77.5	-162.3	174.5	-169.6	0	113.7	D120 E121	D120-K123 VanDerWaalsContact O-CD 3.24Å; D120-K123 WeakPolarHBondContact O-CD 2.95Å; D120-K123 WeakPolarHBondContact O-CG 3.41Å; D120-K123 PolarHBondContact O-N 2.97Å; E121-K123 PolarHBondContact O-N 2.98Å
124	H	98.1	Very high	97	Very high	62 Å²	62	62.9 Å²	62.9	29%	0.287	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-104.5	-7.3	178.7	-60.4	-53.2	0	0	0	113.1	E121 A122 C132 T133 A134 C136	E121-H124 WeakPolarHBondContact O-CB 3.44Å; E121-H124 PolarHBondContact O-N 3.2Å; A122-H124 PolarHBondContact O-N 3.14Å; H124-C132 WeakPolarHBondContact O-CA 3.26Å; H124-T133 PolarHBondContact O-N 3.24Å; H124-T133 PolarHBondContact O-OG1 3.25Å; H124-A134 HydrophobicContact CB-CB 4Å; H124-C136 VanDerWaalsContact C-SG 3.58Å; H124-C136 PolarHBondContact O-SG 3.17Å
125	Y	97.9	Very high	96.9	Very high	20 Å²	20	66.5 Å²	66.5	8%	0.078	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.4	-178.7	-176.8	-104	0	0	0	111.3	E121 A122 Y127 D130 C136 Y139 R140 P187	E121-Y125 PolarHBondContact O-N 2.82Å; A122-Y125 PolarHBondContact O-N 3.5Å; A122-Y125 VanDerWaalsContact O-N 3.16Å; Y125-Y127 HydrophobicContact CE1-CD2 4.24Å; Y125-D130 VanDerWaalsContact CE2-OD1 3.31Å; Y125-D130 WeakPolarHBondContact CE2-OD1 3.41Å; Y125-D130 PolarHBondContact OH-OD1 3.25Å; Y125-C136 HydrophobicContact CD2-CB 4.13Å; Y125-C136 HydrophobicContact CG-CB 4.49Å; Y125-Y139 HydrophobicContact CD1-CD1 4.15Å; Y125-Y139 AromaticContact CD1-CE1 3.63Å; Y125-Y139 HydrophobicContact CD1-CE1 3.63Å; Y125-Y139 HydrophobicContact CE1-CE1 4.34Å; Y125-Y139 HydrophobicContact CG-CD1 4.21Å; Y125-Y139 HydrophobicContact CG-CE1 4.13Å; Y125-R140 HydrophobicContact CD2-CG 4.18Å; Y125-R140 HydrophobicContact CE2-CG 4.02Å; Y125-P187 HydrophobicContact CE1-CG 4.33Å; Y125-P187 VanDerWaalsContact OH-CD 3.27Å; Y125-P187 WeakPolarHBondContact OH-CD 3.41Å
126	T	96.7	Very high	96.8	Very high	60 Å²	60	66.7 Å²	66.7	37%	0.368	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	110.3	170.1	-53.4	0	0	0	0	108.9	K128 R131	T126-K128 VanDerWaalsContact C-N 3.31Å; T126-K128 HydrophobicContact CG2-CB 4.38Å; T126-K128 WeakPolarHBondContact CG2-O 3.18Å; T126-K128 PolarHBondContact O-N 3.35Å; T126-R131 PolarHBondContact N-O 2.95Å; T126-R131 PolarHBondContact O-N 3.1Å
127	Y	95.9	Very high	96.7	Very high	30 Å²	30	65.3 Å²	65.3	12%	0.118	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-44.9	178.7	-175.2	-77.9	0	0	0	111.7	P51 Y125 G129 D130 H186 P187 Y188 T190	P51-Y127 HydrophobicContact CG-CD1 3.69Å; P51-Y127 HydrophobicContact CG-CD2 4.1Å; P51-Y127 HydrophobicContact CG-CE1 4.15Å; P51-Y127 HydrophobicContact CG-CE2 4.49Å; P51-Y127 HydrophobicContact CG-CG 3.7Å; Y125-Y127 HydrophobicContact CE1-CD2 4.24Å; Y127-G129 PolarHBondContact O-N 2.93Å; Y127-G129 VanDerWaalsContact O-N 3.07Å; Y127-D130 PolarHBondContact O-N 2.78Å; Y127-D130 VanDerWaalsContact O-N 3.08Å; Y127-H186 HydrophobicContact CE2-CB 4.05Å; Y127-H186 AromaticContact CZ-CG 3.77Å; Y127-H186 AromaticContact CZ-ND1 3.9Å; Y127-H186 PolarHBondContact O-CE1 3.37Å; Y127-P187 HydrophobicContact CE2-CG 4.43Å; Y127-Y188 HydrophobicContact CD2-CD2 4.49Å; Y127-Y188 HydrophobicContact CD2-CE1 4.43Å; Y127-Y188 AromaticContact CD2-CE2 3.75Å; Y127-Y188 HydrophobicContact CD2-CE2 3.75Å; Y127-Y188 AromaticContact CD2-CZ 3.71Å; Y127-Y188 AromaticContact CE2-CD2 3.74Å; Y127-Y188 HydrophobicContact CE2-CD2 3.74Å; Y127-Y188 HydrophobicContact CE2-CE1 4.4Å; Y127-Y188 AromaticContact CE2-CE2 3.42Å; Y127-Y188 HydrophobicContact CE2-CE2 3.42Å; Y127-Y188 VanDerWaalsContact CE2-CE2 3.42Å; Y127-Y188 HydrophobicContact CE2-CG 4.36Å; Y127-Y188 AromaticContact CE2-CZ 3.78Å; Y127-Y188 PolarHBondContact OH-O 3.37Å; Y127-T190 HydrophobicContact CD1-CG2 4.49Å; Y127-T190 HydrophobicContact CE1-CG2 3.75Å; Y127-T190 HydrophobicContact CE2-CG2 3.93Å; Y127-T190 VanDerWaalsContact CZ-CG2 3.43Å; Y127-T190 WeakPolarHBondContact OH-CG2 3.26Å
128	K	93.6	Very high	96.7	Very high	189 Å²	189	60.9 Å²	60.9	82%	0.822	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	112.7	175.6	-174.5	-179.3	180	-178.6	0	109.7	T126	T126-K128 VanDerWaalsContact C-N 3.31Å; T126-K128 HydrophobicContact CG2-CB 4.38Å; T126-K128 WeakPolarHBondContact CG2-O 3.18Å; T126-K128 PolarHBondContact O-N 3.35Å
129	G	90.4	Very high	96.7	Very high	66 Å²	66	61.3 Å²	61.3	68%	0.68	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	11.6	-179	0	0	0	0	0	114.8	Y127 R131	Y127-G129 PolarHBondContact O-N 2.93Å; Y127-G129 VanDerWaalsContact O-N 3.07Å; G129-R131 VanDerWaalsContact C-N 3.29Å; G129-R131 PolarHBondContact O-N 2.01Å
130	D	92.5	Very high	96.7	Very high	41 Å²	41	61.1 Å²	61.1	22%	0.219	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	44.8	174	-159.9	33	0	0	0	113.6	Y125 Y127 R140 H186	Y125-D130 VanDerWaalsContact CE2-OD1 3.31Å; Y125-D130 WeakPolarHBondContact CE2-OD1 3.41Å; Y125-D130 PolarHBondContact OH-OD1 3.25Å; Y127-D130 PolarHBondContact O-N 2.78Å; Y127-D130 VanDerWaalsContact O-N 3.08Å; D130-R140 IonicContact OD1-NE 3.78Å; D130-R140 IonicContact OD1-NH2 3.72Å; D130-R140 IonicContact OD2-NH2 3.52Å; D130-H186 IonicContact OD1-ND1 2.71Å
131	R	94.8	Very high	96.7	Very high	141 Å²	141	58 Å²	58	53%	0.532	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.4	-169	-164.4	-178.4	70.5	96.9	6.4	111.6	T126 G129 T133	T126-R131 PolarHBondContact N-O 2.95Å; T126-R131 PolarHBondContact O-N 3.1Å; G129-R131 VanDerWaalsContact C-N 3.29Å; G129-R131 PolarHBondContact O-N 2.01Å; R131-T133 VanDerWaalsContact NH1-CG2 3.3Å
132	C	96.3	Very high	96.7	Very high	54 Å²	54	56.8 Å²	56.8	37%	0.365	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	136.5	170.3	-174.7	0	0	0	0	111.1	H124 A134 C136	H124-C132 WeakPolarHBondContact O-CA 3.26Å; C132-A134 VanDerWaalsContact SG-C 3.51Å; C132-A134 PolarHBondContact SG-O 2.76Å; C132-C136 VanDerWaalsContact CA-SG 3.55Å; C132-C136 HydrophobicContact CB-CB 3.81Å; C132-C136 WeakPolarHBondContact CB-SG 3.32Å; C132-C136 WeakPolarHBondContact SG-CB 3.39Å; C132-C136 PolarHBondContact SG-N 3.09Å; C132-C136 VanDerWaalsContact SG-N 3.41Å; C132-C136 CovalentContact SG-SG 2.03Å; C132-C136 PolarHBondContact SG-SG 2.76Å
133	T	97.3	Very high	96.7	Very high	78 Å²	78	55 Å²	55	48%	0.479	30%	0.296	S	S	.	.	S	Bend	trans	-102.2	-6.4	177.1	62.2	0	0	0	0	114.4	H124 R131	H124-T133 PolarHBondContact O-N 3.24Å; H124-T133 PolarHBondContact O-OG1 3.25Å; R131-T133 VanDerWaalsContact NH1-CG2 3.3Å
134	A	96.9	Very high	96.8	Very high	60 Å²	60	48.2 Å²	48.2	50%	0.496	27%	0.266	S	S	.	.	S	Bend	trans	-152.4	-127.7	-178.3	0	0	0	0	0	109.2	H124 C132	H124-A134 HydrophobicContact CB-CB 4Å; C132-A134 VanDerWaalsContact SG-C 3.51Å; C132-A134 PolarHBondContact SG-O 2.76Å
135	V	96.2	Very high	96.8	Very high	77 Å²	77	45.3 Å²	45.3	47%	0.467	25%	0.253	S	S	.	.			trans	-92.6	131.6	166.5	-173	0	0	0	0	108.3	E121	E121-V135 WeakPolarHBondContact CB-O 3.11Å; E121-V135 VanDerWaalsContact OE1-CG1 3.27Å; E121-V135 WeakPolarHBondContact OE1-CG1 3.43Å
136	C	97.8	Very high	96.7	Very high	4 Å²	4	49 Å²	49	3%	0.027	27%	0.271	C	S	.	.			trans	-137.7	-5.9	177.2	-51.3	0	0	0	0	113.5	E121 H124 Y125 C132 H138 Y139 R140	E121-C136 VanDerWaalsContact OE2-C 3.23Å; E121-C136 WeakPolarHBondContact OE2-CA 3.23Å; H124-C136 VanDerWaalsContact C-SG 3.58Å; H124-C136 PolarHBondContact O-SG 3.17Å; Y125-C136 HydrophobicContact CD2-CB 4.13Å; Y125-C136 HydrophobicContact CG-CB 4.49Å; C132-C136 VanDerWaalsContact CA-SG 3.55Å; C132-C136 HydrophobicContact CB-CB 3.81Å; C132-C136 WeakPolarHBondContact CB-SG 3.32Å; C132-C136 WeakPolarHBondContact SG-CB 3.39Å; C132-C136 PolarHBondContact SG-N 3.09Å; C132-C136 VanDerWaalsContact SG-N 3.41Å; C132-C136 CovalentContact SG-SG 2.03Å; C132-C136 PolarHBondContact SG-SG 2.76Å; C136-H138 VanDerWaalsContact C-N 3.31Å; C136-H138 PolarHBondContact O-N 3.02Å; C136-Y139 PolarHBondContact O-N 3.14Å; C136-R140 WeakPolarHBondContact O-CB 3.44Å; C136-R140 WeakPolarHBondContact O-CG 3.28Å; C136-R140 PolarHBondContact O-N 3.27Å
137	S	97.2	Very high	96.8	Very high	41 Å²	41	46.1 Å²	46.1	29%	0.287	25%	0.254	S	S	.	.	H	α-helix	trans	-61.7	-39.2	-173	46	0	0	0	0	111.6	R140 Q141 D181	S137-R140 PolarHBondContact O-N 2.81Å; S137-Q141 WeakPolarHBondContact O-CB 2.97Å; S137-Q141 PolarHBondContact O-N 3.42Å; S137-D181 WeakPolarHBondContact CA-OD2 3.4Å; S137-D181 WeakPolarHBondContact CB-OD2 3.46Å
138	H	98.7	Very high	96.9	Very high	32 Å²	32	47.4 Å²	47.4	15%	0.148	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-45	179.1	-51.7	109	0	0	0	111.3	N100 W118 E121 C136 Q141 V142	N100-H138 WeakPolarHBondContact ND2-CA 3.42Å; N100-H138 PolarHBondContact ND2-O 3.25Å; W118-H138 HydrophobicContact CB-CB 3.6Å; W118-H138 VanDerWaalsContact CD1-CB 3.46Å; W118-H138 AromaticContact CD1-CD2 3.83Å; W118-H138 AromaticContact CD1-CG 3.54Å; W118-H138 HydrophobicContact CG-CB 3.61Å; W118-H138 AromaticContact NE1-CD2 3.85Å; E121-H138 IonicContact OE1-CE1 3.16Å; E121-H138 IonicContact OE1-CG 3.8Å; E121-H138 IonicContact OE1-ND1 3.64Å; E121-H138 PolarHBondContact OE1-ND1 3.29Å; E121-H138 VanDerWaalsContact OE2-CB 3.29Å; E121-H138 WeakPolarHBondContact OE2-CB 3.34Å; E121-H138 IonicContact OE2-CG 3.16Å; E121-H138 PolarHBondContact OE2-N 3Å; E121-H138 VanDerWaalsContact OE2-N 3.07Å; E121-H138 IonicContact OE2-ND1 2.66Å; C136-H138 VanDerWaalsContact C-N 3.31Å; C136-H138 PolarHBondContact O-N 3.02Å; H138-Q141 PolarHBondContact O-N 2.98Å; H138-V142 WeakPolarHBondContact O-CG2 3.34Å; H138-V142 PolarHBondContact O-N 3.31Å
139	Y	98.8	Very high	97.1	Very high	16 Å²	16	40.2 Å²	40.2	6%	0.063	23%	0.227	C	C	.	.	H	α-helix	trans	-58.8	-52.3	173.3	167.2	-109.7	0	0	0	111.3	W118 E121 A122 Y125 C136 Q141 V142 V143	W118-Y139 WeakPolarHBondContact O-CA 3.3Å; W118-Y139 WeakPolarHBondContact O-CB 3.32Å; W118-Y139 PolarHBondContact O-N 3.17Å; E121-Y139 PolarHBondContact OE2-N 2.91Å; E121-Y139 VanDerWaalsContact OE2-N 3.16Å; A122-Y139 HydrophobicContact CB-CD1 4.2Å; A122-Y139 HydrophobicContact CB-CD2 3.72Å; A122-Y139 HydrophobicContact CB-CE1 4.05Å; A122-Y139 HydrophobicContact CB-CE2 3.54Å; A122-Y139 HydrophobicContact CB-CG 4.03Å; Y125-Y139 HydrophobicContact CD1-CD1 4.15Å; Y125-Y139 AromaticContact CD1-CE1 3.63Å; Y125-Y139 HydrophobicContact CD1-CE1 3.63Å; Y125-Y139 HydrophobicContact CE1-CE1 4.34Å; Y125-Y139 HydrophobicContact CG-CD1 4.21Å; Y125-Y139 HydrophobicContact CG-CE1 4.13Å; C136-Y139 PolarHBondContact O-N 3.14Å; Y139-Q141 PolarHBondContact O-N 3.23Å; Y139-V142 PolarHBondContact O-N 3.12Å; Y139-V142 VanDerWaalsContact O-N 3.08Å; Y139-V143 HydrophobicContact CD1-CG2 4.36Å; Y139-V143 HydrophobicContact CD2-CG1 4.04Å; Y139-V143 HydrophobicContact CD2-CG2 4.28Å; Y139-V143 HydrophobicContact CE1-CG2 3.95Å; Y139-V143 HydrophobicContact CE2-CB 4.37Å; Y139-V143 HydrophobicContact CE2-CG1 3.56Å; Y139-V143 HydrophobicContact CE2-CG2 3.87Å; Y139-V143 WeakPolarHBondContact O-CG2 3.5Å; Y139-V143 PolarHBondContact O-N 3.39Å
140	R	98.4	Very high	97.5	Very high	20 Å²	20	37 Å²	37	8%	0.075	20%	0.195	C	C	.	.	H	α-helix	trans	-55.2	-40.9	-178.8	-76.3	179.2	77.2	-145.3	5.5	111.6	Y125 D130 C136 S137 V143 W144 D181 I182 I185	Y125-R140 HydrophobicContact CD2-CG 4.18Å; Y125-R140 HydrophobicContact CE2-CG 4.02Å; D130-R140 IonicContact OD1-NE 3.78Å; D130-R140 IonicContact OD1-NH2 3.72Å; D130-R140 IonicContact OD2-NH2 3.52Å; C136-R140 WeakPolarHBondContact O-CB 3.44Å; C136-R140 WeakPolarHBondContact O-CG 3.28Å; C136-R140 PolarHBondContact O-N 3.27Å; S137-R140 PolarHBondContact O-N 2.81Å; R140-V143 CarbonylContact O-C 3.49Å; R140-W144 WeakPolarHBondContact O-CB 3.19Å; R140-W144 PolarHBondContact O-N 2.76Å; R140-D181 HydrophobicContact CB-CB 4.46Å; R140-D181 WeakPolarHBondContact CB-OD1 3.03Å; R140-D181 VanDerWaalsContact CD-OD1 3.23Å; R140-D181 WeakPolarHBondContact CD-OD1 3.33Å; R140-D181 IonicContact CZ-OD1 3.87Å; R140-D181 IonicContact NE-OD1 3.6Å; R140-D181 PolarHBondContact NE-OD1 2.92Å; R140-D181 IonicContact NH1-OD1 3.9Å; R140-D181 PolarHBondContact NH1-OD1 3.37Å; R140-I182 PolarHBondContact NH2-O 2.89Å; R140-I185 PolarHBondContact NH2-O 3.02Å
141	Q	98.8	Very high	97.8	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.028	18%	0.184	C	C	.	.	H	α-helix	trans	-68	-43.2	176.2	179.8	58.6	85.9	0	0	113	S137 H138 Y139 V143 W144 S147 Y176 D181	S137-Q141 WeakPolarHBondContact O-CB 2.97Å; S137-Q141 PolarHBondContact O-N 3.42Å; H138-Q141 PolarHBondContact O-N 2.98Å; Y139-Q141 PolarHBondContact O-N 3.23Å; Q141-V143 VanDerWaalsContact C-N 3.27Å; Q141-V143 PolarHBondContact O-N 2.04Å; Q141-W144 WeakPolarHBondContact O-CB 3.34Å; Q141-W144 PolarHBondContact O-N 2.99Å; Q141-S147 PolarHBondContact NE2-OG 3.44Å; Q141-Y176 HydrophobicContact CG-CD1 4.37Å; Q141-Y176 HydrophobicContact CG-CD2 3.35Å; Q141-Y176 HydrophobicContact CG-CE2 3.54Å; Q141-Y176 HydrophobicContact CG-CG 3.8Å; Q141-D181 HydrophobicContact CB-CB 4.46Å
142	V	98.9	Very high	98	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58	-42.8	176.7	167	0	0	0	0	110.8	A45 R46 W118 V119 H138 Y139	A45-V142 HydrophobicContact CB-CG1 3.89Å; R46-V142 WeakPolarHBondContact CG-O 3.26Å; R46-V142 PolarHBondContact NH1-O 3.08Å; W118-V142 HydrophobicContact CB-CG2 4.22Å; W118-V142 HydrophobicContact CE3-CG2 4.18Å; V119-V142 HydrophobicContact CG2-CG1 3.95Å; H138-V142 WeakPolarHBondContact O-CG2 3.34Å; H138-V142 PolarHBondContact O-N 3.31Å; Y139-V142 PolarHBondContact O-N 3.12Å; Y139-V142 VanDerWaalsContact O-N 3.08Å
143	V	98.7	Very high	98.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	15.9	-178.2	-54.3	0	0	0	0	113.9	V49 M56 Y139 R140 Q141 A145 P187 Y188	V49-V143 HydrophobicContact CG1-CB 3.81Å; V49-V143 HydrophobicContact CG1-CG1 3.58Å; V49-V143 HydrophobicContact CG1-CG2 4.49Å; M56-V143 HydrophobicContact CE-CB 4.36Å; M56-V143 VanDerWaalsContact CE-O 3.3Å; M56-V143 WeakPolarHBondContact CE-O 3.31Å; Y139-V143 HydrophobicContact CD1-CG2 4.36Å; Y139-V143 HydrophobicContact CD2-CG1 4.04Å; Y139-V143 HydrophobicContact CD2-CG2 4.28Å; Y139-V143 HydrophobicContact CE1-CG2 3.95Å; Y139-V143 HydrophobicContact CE2-CB 4.37Å; Y139-V143 HydrophobicContact CE2-CG1 3.56Å; Y139-V143 HydrophobicContact CE2-CG2 3.87Å; Y139-V143 WeakPolarHBondContact O-CG2 3.5Å; Y139-V143 PolarHBondContact O-N 3.39Å; R140-V143 CarbonylContact O-C 3.49Å; Q141-V143 VanDerWaalsContact C-N 3.27Å; Q141-V143 PolarHBondContact O-N 2.04Å; V143-A145 PolarHBondContact O-N 3.28Å; V143-A145 VanDerWaalsContact O-N 3.16Å; V143-P187 HydrophobicContact CG2-CB 4.08Å; V143-P187 HydrophobicContact CG2-CG 4.27Å; V143-Y188 HydrophobicContact CB-CD1 4.4Å; V143-Y188 HydrophobicContact CB-CE1 4.25Å; V143-Y188 HydrophobicContact CG2-CD1 4.21Å; V143-Y188 HydrophobicContact CG2-CE1 3.85Å; V143-Y188 WeakPolarHBondContact O-CD1 3.1Å
144	W	98.7	Very high	98.2	Very high	15 Å²	15	22.8 Å²	22.8	6%	0.057	12%	0.123	C	C	.	.			trans	-71.5	110.7	178.5	-163	-98.1	0	0	0	110.6	R46 R140 Q141 Q146 S147 G180 D181 I182 I185 P187	R46-W144 PolarHBondContact NH1-O 3.37Å; R46-W144 PolarHBondContact NH2-O 3.2Å; R46-W144 VanDerWaalsContact NH2-O 3.12Å; R140-W144 WeakPolarHBondContact O-CB 3.19Å; R140-W144 PolarHBondContact O-N 2.76Å; Q141-W144 WeakPolarHBondContact O-CB 3.34Å; Q141-W144 PolarHBondContact O-N 2.99Å; W144-Q146 PolarHBondContact O-N 2.77Å; W144-Q146 VanDerWaalsContact O-N 3.15Å; W144-S147 WeakPolarHBondContact CB-OG 3.47Å; W144-S147 VanDerWaalsContact CD1-OG 3.25Å; W144-S147 WeakPolarHBondContact O-CB 3.3Å; W144-S147 PolarHBondContact O-N 3.49Å; W144-G180 VanDerWaalsContact CD1-CA 3.49Å; W144-G180 VanDerWaalsContact CD2-CA 3.48Å; W144-D181 VanDerWaalsContact CZ3-N 3.31Å; W144-I182 HydrophobicContact CH2-CB 3.93Å; W144-I182 HydrophobicContact CH2-CG1 4.26Å; W144-I182 VanDerWaalsContact CH2-N 3.28Å; W144-I182 HydrophobicContact CZ2-CB 4.12Å; W144-I182 HydrophobicContact CZ2-CD1 4.09Å; W144-I182 HydrophobicContact CZ2-CG1 3.98Å; W144-I185 HydrophobicContact CH2-CB 3.94Å; W144-I185 HydrophobicContact CH2-CG2 3.81Å; W144-I185 HydrophobicContact CZ2-CB 4.5Å; W144-I185 HydrophobicContact CZ2-CG2 4.04Å; W144-P187 CarbonylContact C-O 3.53Å; W144-P187 WeakPolarHBondContact CA-O 3.21Å; W144-P187 VanDerWaalsContact CE3-CA 3.46Å; W144-P187 HydrophobicContact CE3-CB 3.75Å; W144-P187 HydrophobicContact CZ3-CB 4.15Å
145	A	98	Very high	98.3	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.008	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-42.2	-171.8	0	0	0	0	0	112.6	R46 D55 M56 L57 V143 S147 P187	R46-A145 PolarHBondContact NH2-O 2.82Å; D55-A145 WeakPolarHBondContact OD1-CB 3.23Å; M56-A145 HydrophobicContact SD-CB 4.29Å; L57-A145 WeakPolarHBondContact CB-O 3.45Å; L57-A145 WeakPolarHBondContact CG-O 3.17Å; L57-A145 PolarHBondContact N-O 2.94Å; L57-A145 VanDerWaalsContact N-O 3.17Å; V143-A145 PolarHBondContact O-N 3.28Å; V143-A145 VanDerWaalsContact O-N 3.16Å; A145-S147 VanDerWaalsContact C-N 3.34Å; A145-S147 PolarHBondContact O-N 3.16Å; A145-P187 PolarHBondContact N-O 2.93Å
146	Q	97.3	Very high	98.3	Very high	97 Å²	97	21.8 Å²	21.8	45%	0.453	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-15.3	-176.5	-60.2	-56.7	-38.7	0	0	113.9	W144 Y148 P178	W144-Q146 PolarHBondContact O-N 2.77Å; W144-Q146 VanDerWaalsContact O-N 3.15Å; Q146-Y148 WeakPolarHBondContact O-CD1 3.36Å; Q146-Y148 PolarHBondContact O-N 3.43Å; Q146-Y148 VanDerWaalsContact O-N 3.14Å; Q146-P178 WeakPolarHBondContact O-CD 3.42Å
147	S	98.3	Very high	98.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.101	C	C	.	.			trans	-77.4	97.7	175.5	-58	0	0	0	0	109.6	R46 M59 Q141 W144 A145 P178	R46-S147 PolarHBondContact NH2-O 3.14Å; M59-S147 VanDerWaalsContact CE-O 3.23Å; M59-S147 WeakPolarHBondContact CE-O 3.43Å; Q141-S147 PolarHBondContact NE2-OG 3.44Å; W144-S147 WeakPolarHBondContact CB-OG 3.47Å; W144-S147 VanDerWaalsContact CD1-OG 3.25Å; W144-S147 WeakPolarHBondContact O-CB 3.3Å; W144-S147 PolarHBondContact O-N 3.49Å; A145-S147 VanDerWaalsContact C-N 3.34Å; A145-S147 PolarHBondContact O-N 3.16Å; S147-P178 PolarHBondContact OG-O 2.99Å
148	Y	97.5	Very high	98.2	Very high	57 Å²	57	22.3 Å²	22.3	22%	0.224	10%	0.104	C	C	.	.			trans	-109.3	-4.5	-175.2	68.8	-92	0	0	0	113.9	L57 M59 S60 F94 Q146 A177 A212	L57-Y148 HydrophobicContact CD1-CD1 3.85Å; L57-Y148 HydrophobicContact CD1-CG 4.18Å; M59-Y148 CarbonylContact C-O 3.51Å; M59-Y148 WeakPolarHBondContact CA-O 3.29Å; S60-Y148 PolarHBondContact N-O 3.03Å; S60-Y148 PolarHBondContact OG-O 3.06Å; F94-Y148 HydrophobicContact CE1-CE1 4.13Å; F94-Y148 AromaticContact CE1-CZ 3.83Å; F94-Y148 WeakPolarHBondContact CE1-OH 3.22Å; F94-Y148 HydrophobicContact CZ-CE1 4.34Å; F94-Y148 HydrophobicContact CZ-CE2 4.18Å; F94-Y148 AromaticContact CZ-CZ 3.69Å; F94-Y148 VanDerWaalsContact CZ-OH 3.3Å; F94-Y148 WeakPolarHBondContact CZ-OH 2.94Å; Q146-Y148 WeakPolarHBondContact O-CD1 3.36Å; Q146-Y148 PolarHBondContact O-N 3.43Å; Q146-Y148 VanDerWaalsContact O-N 3.14Å; Y148-A177 PolarHBondContact N-O 3.32Å; Y148-A177 VanDerWaalsContact N-O 3.17Å; Y148-A212 HydrophobicContact CD2-CB 4.01Å; Y148-A212 HydrophobicContact CE2-CB 3.95Å
149	K	98.4	Very high	98.1	Very high	38 Å²	38	29.6 Å²	29.6	17%	0.165	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140.5	171.5	-68.3	-53.8	-170.1	173.7	0	110.8	S60 D62 L65 F94 Y176 A177	S60-K149 WeakPolarHBondContact O-CA 3.34Å; S60-K149 WeakPolarHBondContact OG-CD 3.48Å; S60-K149 PolarHBondContact OG-NZ 2.84Å; D62-K149 HydrophobicContact CB-CB 3.96Å; D62-K149 HydrophobicContact CB-CD 4.15Å; D62-K149 HydrophobicContact CB-CG 4.28Å; L65-K149 HydrophobicContact CD1-CB 3.83Å; F94-K149 HydrophobicContact CE2-CB 4.34Å; F94-K149 HydrophobicContact CE2-CG 3.94Å; F94-K149 HydrophobicContact CZ-CG 3.91Å; K149-Y176 CarbonylContact O-C 3.57Å; K149-Y176 WeakPolarHBondContact O-CA 3.18Å; K149-A177 HydrophobicContact CB-CB 4.19Å; K149-A177 PolarHBondContact N-O 3.2Å; K149-A177 PolarHBondContact O-N 3.06Å
150	V	98.9	Very high	97.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	142.1	172.8	68.8	0	0	0	0	110.4	V39 M59 S60 W61 D62 C174 N175 Y176	V39-V150 HydrophobicContact CG2-CG1 4.39Å; M59-V150 HydrophobicContact CG-CB 3.92Å; M59-V150 HydrophobicContact CG-CG1 3.64Å; M59-V150 HydrophobicContact SD-CB 3.57Å; M59-V150 VanDerWaalsContact SD-CB 3.57Å; M59-V150 HydrophobicContact SD-CG1 3.6Å; M59-V150 VanDerWaalsContact SD-CG1 3.6Å; M59-V150 HydrophobicContact SD-CG2 4.21Å; S60-V150 PolarHBondContact O-N 2.84Å; W61-V150 CarbonylContact C-O 3.58Å; W61-V150 VanDerWaalsContact CA-O 3.31Å; W61-V150 WeakPolarHBondContact CA-O 3.46Å; W61-V150 HydrophobicContact CE3-CG1 4.44Å; D62-V150 PolarHBondContact N-O 3.2Å; V150-C174 HydrophobicContact CG2-CB 4.19Å; V150-N175 CarbonylContact C-O 3.58Å; V150-N175 VanDerWaalsContact CA-O 3.29Å; V150-N175 WeakPolarHBondContact CA-O 3.35Å; V150-Y176 HydrophobicContact CB-CD1 4.2Å; V150-Y176 HydrophobicContact CB-CE1 4.42Å; V150-Y176 HydrophobicContact CG2-CD1 3.8Å; V150-Y176 HydrophobicContact CG2-CE1 3.67Å
151	G	98.9	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	130.9	168.6	0	0	0	0	0	109.5	N175	G151-N175 PolarHBondContact N-O 3.4Å; G151-N175 PolarHBondContact O-N 2.87Å
152	C	98.9	Very high	97.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	159.5	-172.8	-51.4	0	0	0	0	112.3	I29 F34 W61 F172 V173 C174	I29-C152 WeakPolarHBondContact CG2-O 3.44Å; F34-C152 HydrophobicContact CE1-CB 4.48Å; F34-C152 WeakPolarHBondContact CE1-O 3.48Å; F34-C152 HydrophobicContact CZ-CB 4.12Å; W61-C152 HydrophobicContact CH2-CB 4.08Å; W61-C152 WeakPolarHBondContact CH2-O 3.12Å; W61-C152 HydrophobicContact CZ3-CB 4.07Å; W61-C152 VanDerWaalsContact CZ3-N 3.31Å; C152-F172 HydrophobicContact CB-CE2 3.57Å; C152-F172 HydrophobicContact CB-CZ 3.84Å; C152-V173 CarbonylContact C-O 3.56Å; C152-V173 WeakPolarHBondContact CA-O 3.19Å; C152-V173 WeakPolarHBondContact CB-O 3.44Å; C152-C174 HydrophobicContact CB-CB 4.08Å; C152-C174 WeakPolarHBondContact CB-SG 3.32Å; C152-C174 WeakPolarHBondContact SG-CB 3.48Å; C152-C174 CovalentContact SG-SG 2.04Å; C152-C174 PolarHBondContact SG-SG 2.96Å
153	A	98.8	Very high	97.7	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	146.6	172.4	0	0	0	0	0	110.6	I29 A69 R70 F172 V173	I29-A153 HydrophobicContact CG2-CB 3.65Å; A69-A153 HydrophobicContact CB-CB 4.11Å; R70-A153 HydrophobicContact CB-CB 3.52Å; R70-A153 HydrophobicContact CG-CB 4.21Å; R70-A153 VanDerWaalsContact N-CB 3.33Å; A153-F172 CarbonylContact O-C 3.44Å; A153-F172 WeakPolarHBondContact O-CA 3.48Å; A153-F172 WeakPolarHBondContact O-CD2 3.27Å; A153-V173 PolarHBondContact N-O 2.7Å; A153-V173 PolarHBondContact O-N 3.15Å
154	V	98.7	Very high	97.4	Very high	13 Å²	13	43.3 Å²	43.3	8%	0.079	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.8	169.9	61.2	0	0	0	0	109.6	L26 P27 F34 F109 A170 I171 F172	L26-V154 HydrophobicContact CB-CG1 4Å; L26-V154 HydrophobicContact CD1-CG1 4.34Å; L26-V154 HydrophobicContact CD1-CG2 3.93Å; L26-V154 HydrophobicContact CD2-CG1 4.02Å; L26-V154 HydrophobicContact CD2-CG2 3.94Å; L26-V154 HydrophobicContact CG-CG1 4.36Å; L26-V154 HydrophobicContact CG-CG2 4.49Å; P27-V154 HydrophobicContact CG-CG1 3.92Å; F34-V154 HydrophobicContact CE2-CG1 4.38Å; F109-V154 HydrophobicContact CD1-CG2 3.97Å; F109-V154 HydrophobicContact CD2-CG2 4.13Å; F109-V154 HydrophobicContact CE1-CB 3.93Å; F109-V154 HydrophobicContact CE1-CG1 3.74Å; F109-V154 HydrophobicContact CE1-CG2 3.71Å; F109-V154 HydrophobicContact CE2-CB 4.25Å; F109-V154 HydrophobicContact CE2-CG2 3.89Å; F109-V154 HydrophobicContact CG-CG2 4.17Å; F109-V154 HydrophobicContact CZ-CB 3.69Å; F109-V154 HydrophobicContact CZ-CG1 3.89Å; F109-V154 HydrophobicContact CZ-CG2 3.66Å; V154-A170 HydrophobicContact CG2-CB 3.94Å; V154-I171 CarbonylContact C-O 3.57Å; V154-I171 VanDerWaalsContact CA-O 3.3Å; V154-I171 WeakPolarHBondContact CA-O 3.33Å; V154-F172 HydrophobicContact CB-CB 4.28Å; V154-F172 HydrophobicContact CB-CD2 3.96Å; V154-F172 HydrophobicContact CG2-CB 4.18Å
155	V	98.1	Very high	97.1	Very high	27 Å²	27	46.2 Å²	46.2	16%	0.164	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.7	178.9	175.6	0	0	0	0	109.3	A73 K74 A170 I171	A73-V155 HydrophobicContact CB-CB 4.04Å; A73-V155 HydrophobicContact CB-CG2 3.59Å; K74-V155 HydrophobicContact CG-CG2 4.29Å; V155-A170 VanDerWaalsContact O-CA 3.32Å; V155-A170 WeakPolarHBondContact O-CA 3.25Å; V155-I171 HydrophobicContact CB-CG2 4.11Å; V155-I171 PolarHBondContact N-O 3.44Å; V155-I171 PolarHBondContact O-N 2.78Å
156	Y	97.4	Very high	96.7	Very high	90 Å²	90	48.5 Å²	48.5	35%	0.353	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	135.4	170.4	174.1	-118.3	0	0	0	110.2	L106 P158 Q168 G169	L106-Y156 HydrophobicContact CB-CD2 4.41Å; L106-Y156 HydrophobicContact CD1-CD2 4.21Å; L106-Y156 HydrophobicContact CD2-CD2 3.87Å; L106-Y156 HydrophobicContact CD2-CE2 4.03Å; L106-Y156 HydrophobicContact CD2-CG 4.49Å; L106-Y156 HydrophobicContact CG-CD2 4.4Å; Y156-P158 HydrophobicContact CD1-CB 4.31Å; Y156-P158 HydrophobicContact CE1-CB 3.68Å; Y156-P158 HydrophobicContact CE1-CG 4.38Å; Y156-P158 VanDerWaalsContact O-CD 3.26Å; Y156-P158 WeakPolarHBondContact O-CD 3.18Å; Y156-Q168 HydrophobicContact CE2-CB 4.33Å; Y156-Q168 PolarHBondContact OH-OE1 3.18Å; Y156-G169 WeakPolarHBondContact CD2-O 3.25Å
157	C	97.2	Very high	96.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	86.3	-175.9	-67.1	0	0	0	0	110.3	C76 H159 G160 I161 Q168 G169	C76-C157 WeakPolarHBondContact CA-SG 3.38Å; C76-C157 HydrophobicContact CB-CB 3.69Å; C76-C157 WeakPolarHBondContact CB-SG 3.34Å; C76-C157 WeakPolarHBondContact SG-CA 3.27Å; C76-C157 WeakPolarHBondContact SG-CB 3.48Å; C76-C157 CovalentContact SG-SG 2.03Å; C76-C157 PolarHBondContact SG-SG 3.43Å; C157-H159 PolarHBondContact O-N 3.11Å; C157-G160 PolarHBondContact O-N 2.89Å; C157-I161 HydrophobicContact CB-CG1 3.76Å; C157-Q168 WeakPolarHBondContact O-CA 3.38Å; C157-G169 PolarHBondContact N-O 3.16Å
158	P	95.4	Very high	96.5	Very high	56 Å²	56	55 Å²	55	36%	0.364	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.5	-174.8	26.8	-35.4	0	0	0	114	Y156 Q168	Y156-P158 HydrophobicContact CD1-CB 4.31Å; Y156-P158 HydrophobicContact CE1-CB 3.68Å; Y156-P158 HydrophobicContact CE1-CG 4.38Å; Y156-P158 VanDerWaalsContact O-CD 3.26Å; Y156-P158 WeakPolarHBondContact O-CD 3.18Å; P158-Q168 VanDerWaalsContact O-CG 3.29Å; P158-Q168 WeakPolarHBondContact O-CG 3.37Å; P158-Q168 PolarHBondContact O-NE2 2.98Å
159	H	95.6	Very high	96.4	Very high	185 Å²	185	52.3 Å²	52.3	86%	0.856	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	13.8	179.1	-57.5	-58.5	0	0	0	112.9	C157	C157-H159 PolarHBondContact O-N 3.11Å
160	G	95.8	Very high	96.4	Very high	6 Å²	6	50.5 Å²	50.5	6%	0.062	26%	0.26	C	S	.	.			trans	94.8	159.4	179	0	0	0	0	0	114.7	C157 G166 L167	C157-G160 PolarHBondContact O-N 2.89Å; G160-G166 WeakPolarHBondContact CA-O 3.33Å; G160-L167 VanDerWaalsContact CA-O 3.23Å; G160-L167 WeakPolarHBondContact CA-O 3.43Å
161	I	97.3	Very high	96.4	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.26	C	S	.	.			trans	-100	116.3	175	-58.4	167.1	0	0	0	109.2	C76 D78 T103 C157 F164 G166 L167	C76-I161 WeakPolarHBondContact O-CA 3.36Å; D78-I161 HydrophobicContact CB-CG2 4.15Å; T103-I161 HydrophobicContact CG2-CD1 4.27Å; T103-I161 HydrophobicContact CG2-CG2 3.9Å; C157-I161 HydrophobicContact CB-CG1 3.76Å; I161-F164 HydrophobicContact CB-CB 4.16Å; I161-F164 HydrophobicContact CB-CD1 4.44Å; I161-F164 HydrophobicContact CD1-CD1 4.46Å; I161-F164 HydrophobicContact CG2-CB 3.74Å; I161-G166 WeakPolarHBondContact O-CA 3.48Å; I161-G166 PolarHBondContact O-N 3.12Å; I161-G166 VanDerWaalsContact O-N 3.1Å; I161-L167 PolarHBondContact N-O 3.05Å
162	K	97.3	Very high	96.4	Very high	139 Å²	139	50.5 Å²	50.5	60%	0.604	26%	0.26	S	S	*	.	B	Isolated β-bridge	trans	-68.5	148.2	177.1	-60.8	174.8	-176.4	173.1	0	110.3	C76 N77 D78 F164	C76-K162 PolarHBondContact O-N 2.85Å; N77-K162 HydrophobicContact CB-CB 4.31Å; N77-K162 PolarHBondContact OD1-O 3.35Å; D78-K162 PolarHBondContact N-O 2.93Å; K162-F164 PolarHBondContact O-N 3.1Å
163	N	95.9	Very high	96.4	Very high	91 Å²	91	50.5 Å²	50.5	49%	0.487	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	16.8	-177.8	-58.8	-82.6	0	0	0	115.3	N77 R79	N77-N163 PolarHBondContact OD1-ND2 3.35Å; R79-N163 HydrophobicContact CG-CB 4.23Å; R79-N163 PolarHBondContact NE-ND2 2.75Å; R79-N163 PolarHBondContact NE-OD1 3.37Å; R79-N163 PolarHBondContact NH2-OD1 3.14Å
164	F	93.4	Very high	96.4	Very high	92 Å²	92	50.5 Å²	50.5	40%	0.404	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-99	170.9	-178.5	-118.2	0	0	0	109.7	D78 T103 I161 K162	D78-F164 HydrophobicContact CB-CB 3.97Å; T103-F164 WeakPolarHBondContact OG1-CD2 3.21Å; I161-F164 HydrophobicContact CB-CB 4.16Å; I161-F164 HydrophobicContact CB-CD1 4.44Å; I161-F164 HydrophobicContact CD1-CD1 4.46Å; I161-F164 HydrophobicContact CG2-CB 3.74Å; K162-F164 PolarHBondContact O-N 3.1Å
165	D	91.4	Very high	96.4	Very high	77 Å²	77	49.9 Å²	49.9	41%	0.412	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	-5.9	177.4	63	7.4	0	0	0	113.5	L167	D165-L167 HydrophobicContact CB-CG 4.33Å; D165-L167 PolarHBondContact O-N 3.15Å; D165-L167 WeakPolarHBondContact OD1-CB 3.46Å; D165-L167 PolarHBondContact OD1-N 3.17Å
166	G	91	Very high	96.4	Very high	48 Å²	48	48.6 Å²	48.6	50%	0.495	25%	0.248	S	C	.	.	S	Bend	trans	71.6	3.8	-175.4	0	0	0	0	0	114.5	G160 I161	G160-G166 WeakPolarHBondContact CA-O 3.33Å; I161-G166 WeakPolarHBondContact O-CA 3.48Å; I161-G166 PolarHBondContact O-N 3.12Å; I161-G166 VanDerWaalsContact O-N 3.1Å
167	L	94.3	Very high	96.4	Very high	112 Å²	112	44.3 Å²	44.3	59%	0.586	23%	0.231	S	C	*	.	S	Bend	trans	-90.9	158.1	179.8	-58.5	179.1	0	0	0	111.3	G160 I161 D165 G169	G160-L167 VanDerWaalsContact CA-O 3.23Å; G160-L167 WeakPolarHBondContact CA-O 3.43Å; I161-L167 PolarHBondContact N-O 3.05Å; D165-L167 HydrophobicContact CB-CG 4.33Å; D165-L167 PolarHBondContact O-N 3.15Å; D165-L167 WeakPolarHBondContact OD1-CB 3.46Å; D165-L167 PolarHBondContact OD1-N 3.17Å; L167-G169 PolarHBondContact O-N 3Å
168	Q	96.2	Very high	96.4	Very high	122 Å²	122	46.3 Å²	46.3	57%	0.57	24%	0.244	S	C	*	.	S	Bend	trans	-61.4	137	175.5	-59.3	-178.2	4.5	0	0	110.4	Y156 C157 P158	Y156-Q168 HydrophobicContact CE2-CB 4.33Å; Y156-Q168 PolarHBondContact OH-OE1 3.18Å; C157-Q168 WeakPolarHBondContact O-CA 3.38Å; P158-Q168 VanDerWaalsContact O-CG 3.29Å; P158-Q168 WeakPolarHBondContact O-CG 3.37Å; P158-Q168 PolarHBondContact O-NE2 2.98Å
169	G	96.4	Very high	96.4	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	-170.2	-176.4	0	0	0	0	0	112.3	G104 Y156 C157 L167	G104-G169 CarbonylContact O-C 3.58Å; G104-G169 VanDerWaalsContact O-CA 3.25Å; G104-G169 WeakPolarHBondContact O-CA 3.39Å; Y156-G169 WeakPolarHBondContact CD2-O 3.25Å; C157-G169 PolarHBondContact N-O 3.16Å; L167-G169 PolarHBondContact O-N 3Å
170	A	97.7	Very high	96.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	142.5	171.9	0	0	0	0	0	110	L26 W102 G104 L106 F109 V154 V155	L26-A170 HydrophobicContact CD1-CB 4.49Å; W102-A170 HydrophobicContact CZ3-CB 4.08Å; W102-A170 WeakPolarHBondContact CZ3-O 3.47Å; G104-A170 PolarHBondContact N-O 2.85Å; G104-A170 VanDerWaalsContact N-O 3.17Å; G104-A170 PolarHBondContact O-N 3.17Å; L106-A170 HydrophobicContact CD1-CB 3.98Å; F109-A170 HydrophobicContact CB-CB 4.34Å; V154-A170 HydrophobicContact CG2-CB 3.94Å; V155-A170 VanDerWaalsContact O-CA 3.32Å; V155-A170 WeakPolarHBondContact O-CA 3.25Å
171	I	98.4	Very high	96.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.1	167.2	-173.1	167.4	0	0	0	108.1	A73 N77 I101 W102 T103 V154 V155 V173	A73-I171 HydrophobicContact CB-CG2 4.05Å; A73-I171 VanDerWaalsContact O-CG2 3.24Å; A73-I171 WeakPolarHBondContact O-CG2 3.37Å; N77-I171 WeakPolarHBondContact O-CD1 3.49Å; I101-I171 HydrophobicContact CG2-CD1 3.92Å; I101-I171 HydrophobicContact CG2-CG1 3.82Å; W102-I171 CarbonylContact O-C 3.51Å; W102-I171 WeakPolarHBondContact O-CA 3.34Å; T103-I171 HydrophobicContact CG2-CB 4.2Å; T103-I171 HydrophobicContact CG2-CD1 4.02Å; T103-I171 HydrophobicContact CG2-CG1 3.79Å; V154-I171 CarbonylContact C-O 3.57Å; V154-I171 VanDerWaalsContact CA-O 3.3Å; V154-I171 WeakPolarHBondContact CA-O 3.33Å; V155-I171 HydrophobicContact CB-CG2 4.11Å; V155-I171 PolarHBondContact N-O 3.44Å; V155-I171 PolarHBondContact O-N 2.78Å; I171-V173 HydrophobicContact CG1-CG2 4.13Å
172	F	98.8	Very high	96	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.9	178.1	172.5	-116.1	0	0	0	109.1	F34 I101 W102 F109 V111 A114 I115 W118 C152 A153 V154 C174	F34-F172 HydrophobicContact CE2-CD2 4.47Å; F34-F172 AromaticContact CE2-CE2 3.82Å; F34-F172 HydrophobicContact CE2-CE2 3.82Å; F34-F172 HydrophobicContact CZ-CD2 4.46Å; F34-F172 AromaticContact CZ-CE2 3.78Å; F34-F172 HydrophobicContact CZ-CE2 3.78Å; I101-F172 CarbonylContact C-O 3.56Å; I101-F172 WeakPolarHBondContact CA-O 3.49Å; W102-F172 HydrophobicContact CB-CB 4.24Å; W102-F172 HydrophobicContact CB-CD1 4.25Å; W102-F172 HydrophobicContact CE3-CB 4.05Å; W102-F172 PolarHBondContact N-O 3.36Å; W102-F172 PolarHBondContact O-N 3.29Å; F109-F172 HydrophobicContact CD2-CB 4.18Å; F109-F172 HydrophobicContact CE2-CB 3.53Å; F109-F172 HydrophobicContact CE2-CD1 4.11Å; F109-F172 AromaticContact CE2-CD2 3.86Å; F109-F172 HydrophobicContact CE2-CD2 3.86Å; F109-F172 AromaticContact CE2-CG 3.59Å; F109-F172 HydrophobicContact CE2-CG 3.59Å; F109-F172 HydrophobicContact CZ-CB 4.31Å; F109-F172 AromaticContact CZ-CD2 3.91Å; F109-F172 HydrophobicContact CZ-CD2 3.91Å; F109-F172 HydrophobicContact CZ-CE2 4.38Å; F109-F172 HydrophobicContact CZ-CG 4.13Å; V111-F172 HydrophobicContact CG1-CZ 4.45Å; A114-F172 HydrophobicContact CB-CD1 3.6Å; A114-F172 HydrophobicContact CB-CE1 3.95Å; A114-F172 HydrophobicContact CB-CG 4.5Å; I115-F172 HydrophobicContact CG1-CE1 4.21Å; W118-F172 AromaticContact CH2-CD1 3.55Å; W118-F172 HydrophobicContact CH2-CD1 3.55Å; W118-F172 AromaticContact CH2-CE1 3.42Å; W118-F172 HydrophobicContact CH2-CE1 3.42Å; W118-F172 VanDerWaalsContact CH2-CE1 3.42Å; W118-F172 HydrophobicContact CH2-CZ 4.47Å; W118-F172 AromaticContact CZ2-CD1 3.96Å; W118-F172 HydrophobicContact CZ2-CD1 3.96Å; W118-F172 HydrophobicContact CZ2-CE1 4.24Å; W118-F172 HydrophobicContact CZ3-CD1 4.36Å; W118-F172 AromaticContact CZ3-CE1 3.82Å; W118-F172 HydrophobicContact CZ3-CE1 3.82Å; C152-F172 HydrophobicContact CB-CE2 3.57Å; C152-F172 HydrophobicContact CB-CZ 3.84Å; A153-F172 CarbonylContact O-C 3.44Å; A153-F172 WeakPolarHBondContact O-CA 3.48Å; A153-F172 WeakPolarHBondContact O-CD2 3.27Å; V154-F172 HydrophobicContact CB-CB 4.28Å; V154-F172 HydrophobicContact CB-CD2 3.96Å; V154-F172 HydrophobicContact CG2-CB 4.18Å; F172-C174 WeakPolarHBondContact CZ-SG 3.3Å
173	V	98.9	Very high	95.5	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.9	-176.9	-178.1	0	0	0	0	108	A69 A73 E99 N100 I101 C152 A153 I171	A69-V173 HydrophobicContact CB-CB 4.15Å; A69-V173 HydrophobicContact CB-CG1 3.98Å; A73-V173 HydrophobicContact CB-CB 4.44Å; A73-V173 HydrophobicContact CB-CG2 3.83Å; E99-V173 HydrophobicContact CG-CG1 3.8Å; N100-V173 WeakPolarHBondContact O-CA 3.4Å; I101-V173 HydrophobicContact CG1-CG1 4.49Å; I101-V173 HydrophobicContact CG1-CG2 4.23Å; I101-V173 HydrophobicContact CG2-CG2 4.46Å; C152-V173 CarbonylContact C-O 3.56Å; C152-V173 WeakPolarHBondContact CA-O 3.19Å; C152-V173 WeakPolarHBondContact CB-O 3.44Å; A153-V173 PolarHBondContact N-O 2.7Å; A153-V173 PolarHBondContact O-N 3.15Å; I171-V173 HydrophobicContact CG1-CG2 4.13Å
174	C	98.9	Very high	95.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.2	167	-73	0	0	0	0	109.2	E99 N100 W118 V150 C152 F172 Y176	E99-C174 WeakPolarHBondContact CA-O 3.38Å; N100-C174 PolarHBondContact N-O 3.47Å; N100-C174 PolarHBondContact O-N 2.98Å; W118-C174 HydrophobicContact CH2-CB 3.91Å; W118-C174 HydrophobicContact CZ3-CB 4.01Å; V150-C174 HydrophobicContact CG2-CB 4.19Å; C152-C174 HydrophobicContact CB-CB 4.08Å; C152-C174 WeakPolarHBondContact CB-SG 3.32Å; C152-C174 WeakPolarHBondContact SG-CB 3.48Å; C152-C174 CovalentContact SG-SG 2.04Å; C152-C174 PolarHBondContact SG-SG 2.96Å; F172-C174 WeakPolarHBondContact CZ-SG 3.3Å; C174-Y176 HydrophobicContact CB-CE2 3.9Å; C174-Y176 VanDerWaalsContact O-CE2 3.27Å; C174-Y176 WeakPolarHBondContact O-CE2 3.47Å
175	N	98.9	Very high	95.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	141	170.1	-70.5	146	0	0	0	110.7	L65 T68 A69 V97 G98 E99 V150 G151	L65-N175 HydrophobicContact CB-CB 4.12Å; L65-N175 HydrophobicContact CD2-CB 4.13Å; T68-N175 WeakPolarHBondContact CG2-OD1 3.32Å; A69-N175 WeakPolarHBondContact CA-OD1 3.47Å; A69-N175 PolarHBondContact N-OD1 2.94Å; A69-N175 VanDerWaalsContact N-OD1 3.11Å; V97-N175 HydrophobicContact CG1-CB 3.62Å; G98-N175 CarbonylContact O-C 3.58Å; G98-N175 WeakPolarHBondContact O-CA 3.18Å; G98-N175 PolarHBondContact O-ND2 2.99Å; E99-N175 WeakPolarHBondContact CB-ND2 3.49Å; E99-N175 WeakPolarHBondContact CG-ND2 3.25Å; E99-N175 PolarHBondContact OE2-ND2 3.01Å; V150-N175 CarbonylContact C-O 3.58Å; V150-N175 VanDerWaalsContact CA-O 3.29Å; V150-N175 WeakPolarHBondContact CA-O 3.35Å; G151-N175 PolarHBondContact N-O 3.4Å; G151-N175 PolarHBondContact O-N 2.87Å
176	Y	98.7	Very high	95.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141.8	-174.5	-56.2	-92.9	0	0	0	110.6	H42 M59 V97 G98 N100 W118 Q141 K149 V150 C174	H42-Y176 AromaticContact CD2-CE1 3.68Å; H42-Y176 AromaticContact NE2-CE1 3.39Å; H42-Y176 WeakPolarHBondContact NE2-CE1 3.46Å; H42-Y176 AromaticContact NE2-CZ 3.58Å; H42-Y176 PolarHBondContact NE2-OH 2.78Å; M59-Y176 HydrophobicContact CE-CD1 3.77Å; M59-Y176 HydrophobicContact CE-CE1 4.08Å; M59-Y176 HydrophobicContact SD-CD1 4.32Å; M59-Y176 HydrophobicContact SD-CE1 4.31Å; V97-Y176 CarbonylContact C-O 3.56Å; V97-Y176 VanDerWaalsContact CA-O 3.3Å; V97-Y176 WeakPolarHBondContact CA-O 3.23Å; G98-Y176 PolarHBondContact N-O 3Å; G98-Y176 PolarHBondContact O-N 3.46Å; N100-Y176 HydrophobicContact CB-CE2 3.91Å; N100-Y176 PolarHBondContact ND2-OH 3.08Å; W118-Y176 WeakPolarHBondContact CZ3-OH 3.3Å; Q141-Y176 HydrophobicContact CG-CD1 4.37Å; Q141-Y176 HydrophobicContact CG-CD2 3.35Å; Q141-Y176 HydrophobicContact CG-CE2 3.54Å; Q141-Y176 HydrophobicContact CG-CG 3.8Å; K149-Y176 CarbonylContact O-C 3.57Å; K149-Y176 WeakPolarHBondContact O-CA 3.18Å; V150-Y176 HydrophobicContact CB-CD1 4.2Å; V150-Y176 HydrophobicContact CB-CE1 4.42Å; V150-Y176 HydrophobicContact CG2-CD1 3.8Å; V150-Y176 HydrophobicContact CG2-CE1 3.67Å; C174-Y176 HydrophobicContact CB-CE2 3.9Å; C174-Y176 VanDerWaalsContact O-CE2 3.27Å; C174-Y176 WeakPolarHBondContact O-CE2 3.47Å
177	A	97.4	Very high	95.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	139.6	175.5	0	0	0	0	0	114.1	L65 F94 Y148 K149	L65-A177 HydrophobicContact CD1-CB 3.74Å; L65-A177 HydrophobicContact CD2-CB 4.14Å; L65-A177 HydrophobicContact CG-CB 4.48Å; F94-A177 HydrophobicContact CB-CB 3.98Å; F94-A177 HydrophobicContact CD1-CB 4.03Å; F94-A177 HydrophobicContact CD2-CB 3.24Å; F94-A177 HydrophobicContact CE1-CB 4.32Å; F94-A177 HydrophobicContact CE2-CB 3.64Å; F94-A177 HydrophobicContact CG-CB 3.5Å; F94-A177 HydrophobicContact CZ-CB 4.16Å; Y148-A177 PolarHBondContact N-O 3.32Å; Y148-A177 VanDerWaalsContact N-O 3.17Å; K149-A177 HydrophobicContact CB-CB 4.19Å; K149-A177 PolarHBondContact N-O 3.2Å; K149-A177 PolarHBondContact O-N 3.06Å
178	P	96.6	Very high	96.1	Very high	43 Å²	43	33.4 Å²	33.4	28%	0.279	20%	0.196	S	C	.	.	S	Bend	cis	-54.8	157.6	-17.5	-23	34	0	0	0	112.8	F94 Q146 S147	F94-P178 HydrophobicContact CD1-CG 4.05Å; F94-P178 HydrophobicContact CE1-CG 4.13Å; Q146-P178 WeakPolarHBondContact O-CD 3.42Å; S147-P178 PolarHBondContact OG-O 2.99Å
179	G	95.5	Very high	96.1	Very high	11 Å²	11	28.6 Å²	28.6	11%	0.113	18%	0.179	C	C	.	.			trans	-63.2	142.3	175.8	0	0	0	0	0	112.2	S96	S96-G179 PolarHBondContact O-N 3.49Å; S96-G179 VanDerWaalsContact O-N 3.15Å; S96-G179 PolarHBondContact OG-N 3.19Å; S96-G179 VanDerWaalsContact OG-N 3.12Å
180	G	95.3	Very high	96.1	Very high	15 Å²	15	31 Å²	31	16%	0.155	19%	0.193	C	C	.	.			trans	-110.8	-151.9	-179.6	0	0	0	0	0	113.1	W144 I182	W144-G180 VanDerWaalsContact CD1-CA 3.49Å; W144-G180 VanDerWaalsContact CD2-CA 3.48Å; G180-I182 VanDerWaalsContact C-N 3.32Å; G180-I182 PolarHBondContact O-N 2.66Å
181	D	93.9	Very high	96	Very high	41 Å²	41	36.5 Å²	36.5	22%	0.219	23%	0.227	C	C	.	.			trans	55.4	40.6	177.2	-164.1	41.5	0	0	0	114.2	S137 R140 Q141 W144	S137-D181 WeakPolarHBondContact CA-OD2 3.4Å; S137-D181 WeakPolarHBondContact CB-OD2 3.46Å; R140-D181 HydrophobicContact CB-CB 4.46Å; R140-D181 WeakPolarHBondContact CB-OD1 3.03Å; R140-D181 VanDerWaalsContact CD-OD1 3.23Å; R140-D181 WeakPolarHBondContact CD-OD1 3.33Å; R140-D181 IonicContact CZ-OD1 3.87Å; R140-D181 IonicContact NE-OD1 3.6Å; R140-D181 PolarHBondContact NE-OD1 2.92Å; R140-D181 IonicContact NH1-OD1 3.9Å; R140-D181 PolarHBondContact NH1-OD1 3.37Å; Q141-D181 HydrophobicContact CB-CB 4.46Å; W144-D181 VanDerWaalsContact CZ3-N 3.31Å
182	I	90.6	Very high	95.7	Very high	85 Å²	85	39 Å²	39	44%	0.436	25%	0.253	S	S	.	.			trans	-76.7	129.9	-179.7	-55.1	173	0	0	0	109.4	R140 W144 G180 G184 I185	R140-I182 PolarHBondContact NH2-O 2.89Å; W144-I182 HydrophobicContact CH2-CB 3.93Å; W144-I182 HydrophobicContact CH2-CG1 4.26Å; W144-I182 VanDerWaalsContact CH2-N 3.28Å; W144-I182 HydrophobicContact CZ2-CB 4.12Å; W144-I182 HydrophobicContact CZ2-CD1 4.09Å; W144-I182 HydrophobicContact CZ2-CG1 3.98Å; G180-I182 VanDerWaalsContact C-N 3.32Å; G180-I182 PolarHBondContact O-N 2.66Å; I182-G184 PolarHBondContact O-N 3.16Å; I182-I185 HydrophobicContact CB-CB 4.27Å; I182-I185 HydrophobicContact CB-CD1 4.02Å; I182-I185 HydrophobicContact CB-CG1 4.34Å; I182-I185 HydrophobicContact CD1-CD1 4.33Å; I182-I185 HydrophobicContact CG2-CD1 3.65Å; I182-I185 HydrophobicContact CG2-CG1 4.08Å; I182-I185 PolarHBondContact O-N 2.75Å
183	D	87.9	Confident	95.5	Very high	144 Å²	144	45.2 Å²	45.2	77%	0.77	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	132.5	178.3	-73	-25.3	0	0	0	112.3	I185	D183-I185 PolarHBondContact O-N 3.24Å
184	G	90.1	Very high	95.4	Very high	72 Å²	72	47.4 Å²	47.4	74%	0.742	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	6.3	179.8	0	0	0	0	0	115	I182	I182-G184 PolarHBondContact O-N 3.16Å
185	I	94.3	Very high	95.3	Very high	83 Å²	83	48.2 Å²	48.2	43%	0.426	31%	0.306	S	S	.	.	S	Bend	trans	-115	128.5	176.3	-57.4	-175.1	0	0	0	109.6	R140 W144 I182 D183	R140-I185 PolarHBondContact NH2-O 3.02Å; W144-I185 HydrophobicContact CH2-CB 3.94Å; W144-I185 HydrophobicContact CH2-CG2 3.81Å; W144-I185 HydrophobicContact CZ2-CB 4.5Å; W144-I185 HydrophobicContact CZ2-CG2 4.04Å; I182-I185 HydrophobicContact CB-CB 4.27Å; I182-I185 HydrophobicContact CB-CD1 4.02Å; I182-I185 HydrophobicContact CB-CG1 4.34Å; I182-I185 HydrophobicContact CD1-CD1 4.33Å; I182-I185 HydrophobicContact CG2-CD1 3.65Å; I182-I185 HydrophobicContact CG2-CG1 4.08Å; I182-I185 PolarHBondContact O-N 2.75Å; D183-I185 PolarHBondContact O-N 3.24Å
186	H	96.8	Very high	95.1	Very high	74 Å²	74	51.6 Å²	51.6	34%	0.343	33%	0.329	S	S	.	.			trans	-64.7	145.1	173.6	-72.8	-58.7	0	0	0	111.6	Y127 D130 Y188	Y127-H186 HydrophobicContact CE2-CB 4.05Å; Y127-H186 AromaticContact CZ-CG 3.77Å; Y127-H186 AromaticContact CZ-ND1 3.9Å; Y127-H186 PolarHBondContact O-CE1 3.37Å; D130-H186 IonicContact OD1-ND1 2.71Å; H186-Y188 PolarHBondContact O-N 3.26Å
187	P	97.7	Very high	94.9	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.013	35%	0.349	C	S	.	.	S	Bend	trans	-66.1	-22.4	-176.4	25	-34	0	0	0	114.4	Y125 Y127 V143 W144 A145	Y125-P187 HydrophobicContact CE1-CG 4.33Å; Y125-P187 VanDerWaalsContact OH-CD 3.27Å; Y125-P187 WeakPolarHBondContact OH-CD 3.41Å; Y127-P187 HydrophobicContact CE2-CG 4.43Å; V143-P187 HydrophobicContact CG2-CB 4.08Å; V143-P187 HydrophobicContact CG2-CG 4.27Å; W144-P187 CarbonylContact C-O 3.53Å; W144-P187 WeakPolarHBondContact CA-O 3.21Å; W144-P187 VanDerWaalsContact CE3-CA 3.46Å; W144-P187 HydrophobicContact CE3-CB 3.75Å; W144-P187 HydrophobicContact CZ3-CB 4.15Å; A145-P187 PolarHBondContact N-O 2.93Å
188	Y	98.2	Very high	94.6	Very high	8 Å²	8	54.8 Å²	54.8	3%	0.031	36%	0.358	C	S	.	.	S	Bend	trans	-157.3	162.3	-179.2	48.1	-98.6	0	0	0	110.4	V49 R50 P51 A53 M56 Y127 V143 H186 T190	V49-Y188 HydrophobicContact CB-CE1 3.97Å; V49-Y188 HydrophobicContact CG1-CE1 3.94Å; V49-Y188 HydrophobicContact CG2-CE1 4.17Å; V49-Y188 HydrophobicContact CG2-CE2 4.17Å; R50-Y188 PolarHBondContact O-OH 3.02Å; P51-Y188 HydrophobicContact CG-CE2 4.35Å; P51-Y188 VanDerWaalsContact O-CE2 3.26Å; P51-Y188 WeakPolarHBondContact O-CE2 3.44Å; P51-Y188 PolarHBondContact O-OH 2.92Å; A53-Y188 HydrophobicContact CB-CD2 3.51Å; A53-Y188 HydrophobicContact CB-CE2 4.17Å; A53-Y188 HydrophobicContact CB-CG 3.71Å; M56-Y188 HydrophobicContact CE-CD1 3.55Å; M56-Y188 HydrophobicContact CE-CE1 4.26Å; M56-Y188 HydrophobicContact CE-CG 3.83Å; Y127-Y188 HydrophobicContact CD2-CD2 4.49Å; Y127-Y188 HydrophobicContact CD2-CE1 4.43Å; Y127-Y188 AromaticContact CD2-CE2 3.75Å; Y127-Y188 HydrophobicContact CD2-CE2 3.75Å; Y127-Y188 AromaticContact CD2-CZ 3.71Å; Y127-Y188 AromaticContact CE2-CD2 3.74Å; Y127-Y188 HydrophobicContact CE2-CD2 3.74Å; Y127-Y188 HydrophobicContact CE2-CE1 4.4Å; Y127-Y188 AromaticContact CE2-CE2 3.42Å; Y127-Y188 HydrophobicContact CE2-CE2 3.42Å; Y127-Y188 VanDerWaalsContact CE2-CE2 3.42Å; Y127-Y188 HydrophobicContact CE2-CG 4.36Å; Y127-Y188 AromaticContact CE2-CZ 3.78Å; Y127-Y188 PolarHBondContact OH-O 3.37Å; V143-Y188 HydrophobicContact CB-CD1 4.4Å; V143-Y188 HydrophobicContact CB-CE1 4.25Å; V143-Y188 HydrophobicContact CG2-CD1 4.21Å; V143-Y188 HydrophobicContact CG2-CE1 3.85Å; V143-Y188 WeakPolarHBondContact O-CD1 3.1Å; H186-Y188 PolarHBondContact O-N 3.26Å; Y188-T190 HydrophobicContact CD2-CG2 3.86Å; Y188-T190 HydrophobicContact CE2-CG2 3.74Å
189	G	97.3	Very high	94.1	Very high	21 Å²	21	62.5 Å²	62.5	22%	0.216	39%	0.387	C	S	.	.			trans	-80.7	152	171.7	0	0	0	0	0	112.2	A53 N54 D55	A53-G189 CarbonylContact C-O 3.51Å; A53-G189 VanDerWaalsContact CA-O 3.23Å; A53-G189 WeakPolarHBondContact CA-O 3.46Å; N54-G189 PolarHBondContact N-O 3.48Å; N54-G189 WeakPolarHBondContact OD1-CA 3.41Å; N54-G189 PolarHBondContact OD1-O 3.05Å; D55-G189 PolarHBondContact OD1-N 3.08Å; D55-G189 PolarHBondContact OD2-N 3.22Å
190	T	96.9	Very high	93.5	Very high	52 Å²	52	63.8 Å²	63.8	32%	0.319	40%	0.401	S	S	.	.			trans	-127.2	7.7	-178	51.2	0	0	0	0	113.4	P51 Y127 Y188 G192	P51-T190 HydrophobicContact CB-CG2 3.96Å; P51-T190 HydrophobicContact CG-CG2 3.48Å; P51-T190 VanDerWaalsContact CG-CG2 3.48Å; Y127-T190 HydrophobicContact CD1-CG2 4.49Å; Y127-T190 HydrophobicContact CE1-CG2 3.75Å; Y127-T190 HydrophobicContact CE2-CG2 3.93Å; Y127-T190 VanDerWaalsContact CZ-CG2 3.43Å; Y127-T190 WeakPolarHBondContact OH-CG2 3.26Å; Y188-T190 HydrophobicContact CD2-CG2 3.86Å; Y188-T190 HydrophobicContact CE2-CG2 3.74Å; T190-G192 PolarHBondContact O-N 3.45Å
191	T	94.1	Very high	93.3	Very high	116 Å²	116	70.4 Å²	70.4	71%	0.712	43%	0.427	S	S	*	.	S	Bend	trans	-81.4	109.1	-177.7	-54.1	0	0	0	0	110.4	N54 S196	N54-T191 WeakPolarHBondContact CB-O 3.37Å; N54-T191 PolarHBondContact ND2-O 3.25Å; T191-S196 PolarHBondContact O-OG 3.16Å
192	G	92.4	Very high	93.3	Very high	53 Å²	53	72 Å²	72	55%	0.546	44%	0.441	S	S	.	.	S	Bend	trans	94.6	-168.6	178.3	0	0	0	0	0	113.3	T190	T190-G192 PolarHBondContact O-N 3.45Å
193	N	95.4	Very high	93.5	Very high	130 Å²	130	71.3 Å²	71.3	70%	0.695	44%	0.438	S	S	*	.	S	Bend	trans	-72.9	161.2	-179.1	-71.3	-27.3	0	0	0	111.4	C195 S196	N193-C195 PolarHBondContact O-N 3.37Å; N193-S196 PolarHBondContact N-OG 3.37Å; N193-S196 VanDerWaalsContact O-CB 3.25Å; N193-S196 WeakPolarHBondContact O-CB 3.29Å; N193-S196 PolarHBondContact O-N 3.31Å; N193-S196 PolarHBondContact O-OG 2.94Å
194	P	96.9	Very high	93.9	Very high	46 Å²	46	69.5 Å²	69.5	30%	0.299	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	138.1	168.5	-27.4	35.1	0	0	0	111.8	P52 A53 S196 K205	P52-P194 HydrophobicContact CB-CG 3.88Å; A53-P194 VanDerWaalsContact O-CA 3.32Å; A53-P194 WeakPolarHBondContact O-CA 3.43Å; P194-S196 PolarHBondContact O-N 2.89Å; P194-K205 HydrophobicContact CB-CB 3.86Å; P194-K205 HydrophobicContact CB-CD 4.36Å; P194-K205 HydrophobicContact CB-CG 3.79Å; P194-K205 HydrophobicContact CG-CD 4.35Å; P194-K205 HydrophobicContact CG-CG 4.26Å
195	C	96.3	Very high	94.2	Very high	16 Å²	16	71 Å²	71	11%	0.108	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	2.6	-175.1	-59.4	0	0	0	0	117.9	N54 N193 G197 C198 C202	N54-C195 CarbonylContact O-C 3.52Å; N54-C195 WeakPolarHBondContact O-CA 3.17Å; N54-C195 PolarHBondContact O-N 3.48Å; N193-C195 PolarHBondContact O-N 3.37Å; C195-G197 PolarHBondContact O-N 3.07Å; C195-G197 VanDerWaalsContact O-N 3.17Å; C195-C198 WeakPolarHBondContact CA-SG 3.48Å; C195-C198 HydrophobicContact CB-CB 4.46Å; C195-C198 WeakPolarHBondContact CB-SG 3.38Å; C195-C198 VanDerWaalsContact O-CB 3.31Å; C195-C198 WeakPolarHBondContact O-CB 3.34Å; C195-C198 PolarHBondContact O-N 3.17Å; C195-C198 PolarHBondContact O-SG 2.9Å; C195-C202 HydrophobicContact CB-CB 3.39Å; C195-C202 WeakPolarHBondContact CB-SG 3.24Å; C195-C202 WeakPolarHBondContact SG-CB 3.48Å; C195-C202 CovalentContact SG-SG 2.04Å; C195-C202 PolarHBondContact SG-SG 3.19Å
196	S	95.8	Very high	94.4	Very high	71 Å²	71	67.3 Å²	67.3	50%	0.497	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.1	179.2	58.8	0	0	0	0	114.2	N54 T191 N193 P194	N54-S196 WeakPolarHBondContact CB-OG 3.33Å; N54-S196 PolarHBondContact O-N 2.98Å; T191-S196 PolarHBondContact O-OG 3.16Å; N193-S196 PolarHBondContact N-OG 3.37Å; N193-S196 VanDerWaalsContact O-CB 3.25Å; N193-S196 WeakPolarHBondContact O-CB 3.29Å; N193-S196 PolarHBondContact O-N 3.31Å; N193-S196 PolarHBondContact O-OG 2.94Å; P194-S196 PolarHBondContact O-N 2.89Å
197	G	93.3	Very high	94.4	Very high	40 Å²	40	63.9 Å²	63.9	41%	0.412	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	1.9	171.5	0	0	0	0	0	114.6	N54 C195	N54-G197 WeakPolarHBondContact O-CA 3.15Å; N54-G197 PolarHBondContact O-N 3.4Å; C195-G197 PolarHBondContact O-N 3.07Å; C195-G197 VanDerWaalsContact O-N 3.17Å
198	C	91.8	Very high	94.1	Very high	28 Å²	28	67.9 Å²	67.9	19%	0.189	40%	0.395	C	S	.	.			trans	-73.9	147.6	-179.3	-57	0	0	0	0	112.2	C195 C207	C195-C198 WeakPolarHBondContact CA-SG 3.48Å; C195-C198 HydrophobicContact CB-CB 4.46Å; C195-C198 WeakPolarHBondContact CB-SG 3.38Å; C195-C198 VanDerWaalsContact O-CB 3.31Å; C195-C198 WeakPolarHBondContact O-CB 3.34Å; C195-C198 PolarHBondContact O-N 3.17Å; C195-C198 PolarHBondContact O-SG 2.9Å; C198-C207 WeakPolarHBondContact CA-SG 3.23Å; C198-C207 HydrophobicContact CB-CB 3.72Å; C198-C207 WeakPolarHBondContact CB-SG 3.27Å; C198-C207 WeakPolarHBondContact SG-CA 3.4Å; C198-C207 WeakPolarHBondContact SG-CB 3.15Å; C198-C207 CovalentContact SG-SG 2.01Å; C198-C207 PolarHBondContact SG-SG 3.09Å
199	K	86.1	Confident	92.9	Very high	205 Å²	205	69.6 Å²	69.6	89%	0.891	40%	0.404	S	S	*	.	S	Bend	trans	-93.3	-8.4	168.5	-65.3	-177.1	179.4	179.3	0	113.4
200	G	82.9	Confident	90.8	Very high	38 Å²	38	72.1 Å²	72.1	39%	0.392	43%	0.431	S	S	.	.	S	Bend	trans	-131	-154.6	-176.2	0	0	0	0	0	112
201	E	90.9	Very high	88.6	Confident	153 Å²	153	74.5 Å²	74.5	72%	0.715	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	153.8	-178.6	-66	175.5	178.3	0	0	111.5	R208	E201-R208 HydrophobicContact CB-CB 4.15Å; E201-R208 PolarHBondContact N-O 3.43Å; E201-R208 VanDerWaalsContact N-O 3.16Å; E201-R208 PolarHBondContact O-N 2.97Å
202	C	94	Very high	86.6	Confident	74 Å²	74	70.3 Å²	70.3	50%	0.5	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125	171	-175.5	0	0	0	0	109	C195	C195-C202 HydrophobicContact CB-CB 3.39Å; C195-C202 WeakPolarHBondContact CB-SG 3.24Å; C195-C202 WeakPolarHBondContact SG-CB 3.48Å; C195-C202 CovalentContact SG-SG 2.04Å; C195-C202 PolarHBondContact SG-SG 3.19Å
203	D	94.3	Very high	84.2	Confident	71 Å²	71	70.8 Å²	70.8	38%	0.38	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	116.7	173.7	176.1	22.1	0	0	0	108.7	K205 L206 R208	D203-K205 VanDerWaalsContact C-N 3.28Å; D203-K205 PolarHBondContact O-N 3.14Å; D203-L206 PolarHBondContact N-O 3.04Å; D203-L206 WeakPolarHBondContact O-CA 3.48Å; D203-L206 WeakPolarHBondContact O-CB 3.38Å; D203-L206 PolarHBondContact O-N 2.71Å; D203-R208 HydrophobicContact CB-CG 3.65Å; D203-R208 IonicContact OD2-CZ 3.28Å; D203-R208 VanDerWaalsContact OD2-CZ 3.28Å; D203-R208 IonicContact OD2-NE 3.04Å; D203-R208 PolarHBondContact OD2-NE 3.46Å; D203-R208 IonicContact OD2-NH2 2.69Å; D203-R208 PolarHBondContact OD2-NH2 3.27Å
204	N	95.4	Very high	81.3	Confident	106 Å²	106	66.3 Å²	66.3	57%	0.567	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.9	50.2	-178.2	-171	34.1	0	0	0	113.5	S47 L206	S47-N204 WeakPolarHBondContact CB-O 3.16Å; N204-L206 PolarHBondContact O-N 3.33Å
205	K	97.8	Very high	78.5	Confident	105 Å²	105	75.1 Å²	75.1	46%	0.457	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	14.8	-178.8	-51.6	170.7	-173.9	169.1	0	115.2	S47 P194 D203	S47-K205 WeakPolarHBondContact O-CD 3.43Å; P194-K205 HydrophobicContact CB-CB 3.86Å; P194-K205 HydrophobicContact CB-CD 4.36Å; P194-K205 HydrophobicContact CB-CG 3.79Å; P194-K205 HydrophobicContact CG-CD 4.35Å; P194-K205 HydrophobicContact CG-CG 4.26Å; D203-K205 VanDerWaalsContact C-N 3.28Å; D203-K205 PolarHBondContact O-N 3.14Å
206	L	97.8	Very high	75.8	Confident	4 Å²	4	85.8 Å²	85.8	2%	0.021	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.6	176.8	-55.9	172.6	0	0	0	110.6	N43 R46 M56 Y58 D203 N204 R208	N43-L206 HydrophobicContact CB-CD1 3.76Å; R46-L206 HydrophobicContact CB-CD2 3.74Å; M56-L206 HydrophobicContact CB-CD2 4.09Å; M56-L206 HydrophobicContact CG-CD2 3.39Å; M56-L206 CarbonylContact O-C 3.55Å; M56-L206 WeakPolarHBondContact O-CA 3.27Å; Y58-L206 HydrophobicContact CD2-CB 4.34Å; Y58-L206 HydrophobicContact CD2-CD1 3.73Å; Y58-L206 HydrophobicContact CE2-CD1 4.37Å; D203-L206 PolarHBondContact N-O 3.04Å; D203-L206 WeakPolarHBondContact O-CA 3.48Å; D203-L206 WeakPolarHBondContact O-CB 3.38Å; D203-L206 PolarHBondContact O-N 2.71Å; N204-L206 PolarHBondContact O-N 3.33Å; L206-R208 PolarHBondContact O-N 3.22Å
207	C	96.7	Very high	73.1	Confident	3 Å²	3	91.6 Å²	91.6	2%	0.02	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	116.5	175.3	-56.5	0	0	0	0	111	M56 L57 Y58 C198 N209	M56-C207 PolarHBondContact O-N 3.43Å; L57-C207 HydrophobicContact CD2-CB 3.78Å; Y58-C207 PolarHBondContact N-O 2.86Å; C198-C207 WeakPolarHBondContact CA-SG 3.23Å; C198-C207 HydrophobicContact CB-CB 3.72Å; C198-C207 WeakPolarHBondContact CB-SG 3.27Å; C198-C207 WeakPolarHBondContact SG-CA 3.4Å; C198-C207 WeakPolarHBondContact SG-CB 3.15Å; C198-C207 CovalentContact SG-SG 2.01Å; C198-C207 PolarHBondContact SG-SG 3.09Å; C207-N209 PolarHBondContact O-N 3.31Å
208	R	92.1	Very high	70.5	Confident	85 Å²	85	96.4 Å²	96.4	32%	0.321	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	93.9	168.1	-63.4	-70.6	-167.4	164.7	3.5	108.3	Y58 E201 D203 L206 G210	Y58-R208 VanDerWaalsContact CG-NH1 3.32Å; E201-R208 HydrophobicContact CB-CB 4.15Å; E201-R208 PolarHBondContact N-O 3.43Å; E201-R208 VanDerWaalsContact N-O 3.16Å; E201-R208 PolarHBondContact O-N 2.97Å; D203-R208 HydrophobicContact CB-CG 3.65Å; D203-R208 IonicContact OD2-CZ 3.28Å; D203-R208 VanDerWaalsContact OD2-CZ 3.28Å; D203-R208 IonicContact OD2-NE 3.04Å; D203-R208 PolarHBondContact OD2-NE 3.46Å; D203-R208 IonicContact OD2-NH2 2.69Å; D203-R208 PolarHBondContact OD2-NH2 3.27Å; L206-R208 PolarHBondContact O-N 3.22Å; R208-G210 PolarHBondContact O-N 3.46Å
209	N	73.8	Confident	68.3	Low	44 Å²	44	99.3 Å²	99.3	24%	0.235	53%	0.525	C	S	.	.			trans	-78.5	115.1	170.8	-72	-20.1	0	0	0	108.8	L57 C207 A211 A212 G213	L57-N209 VanDerWaalsContact CD2-ND2 3.32Å; L57-N209 WeakPolarHBondContact CD2-ND2 3.39Å; C207-N209 PolarHBondContact O-N 3.31Å; N209-A211 PolarHBondContact O-N 2.76Å; N209-A212 HydrophobicContact CB-CB 3.88Å; N209-A212 PolarHBondContact O-N 2.96Å; N209-G213 PolarHBondContact O-N 3.31Å
210	G	53.2	Low	66.1	Low	75 Å²	75	100.5 Å²	100.5	77%	0.773	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-19.4	177.7	0	0	0	0	0	114.5	R208	R208-G210 PolarHBondContact O-N 3.46Å
211	A	50	Low	64.2	Low	102 Å²	102	101.4 Å²	101.4	84%	0.843	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-27.6	173.4	0	0	0	0	0	114.4	N209	N209-A211 PolarHBondContact O-N 2.76Å
212	A	51	Low	61.8	Low	28 Å²	28	96.7 Å²	96.7	23%	0.231	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-22.2	-178.3	0	0	0	0	0	113.2	Y148 N209	Y148-A212 HydrophobicContact CD2-CB 4.01Å; Y148-A212 HydrophobicContact CE2-CB 3.95Å; N209-A212 HydrophobicContact CB-CB 3.88Å; N209-A212 PolarHBondContact O-N 2.96Å
213	G	43.6	Very low	59.2	Low	62 Å²	62	97.9 Å²	97.9	64%	0.639	51%	0.509	S	S	*	.	S	Bend	trans	-96.5	9.4	173	0	0	0	0	0	114.6	N209 R215	N209-G213 PolarHBondContact O-N 3.31Å; G213-R215 PolarHBondContact O-N 2.82Å; G213-R215 VanDerWaalsContact O-N 3.08Å
214	G	34.7	Very low	56.6	Low	36 Å²	36	101.6 Å²	101.6	37%	0.371	52%	0.523	S	S	.	.			trans	-75.1	96.3	-170.1	0	0	0	0	0	114.6
215	R	36.4	Very low	54.2	Low	232 Å²	232	100.4 Å²	100.4	88%	0.875	52%	0.515	S	S	*	.			trans	62.3	136.7	166	-68.7	177.7	-121.5	-175.4	-0.7	115.5	G213 R217	G213-R215 PolarHBondContact O-N 2.82Å; G213-R215 VanDerWaalsContact O-N 3.08Å; R215-R217 PolarHBondContact O-N 2.71Å
216	R	40.5	Very low	51.7	Low	239 Å²	239	100 Å²	100	90%	0.902	52%	0.517	S	S	*	.			trans	-53.6	88.2	158.5	-67.6	-177.7	-167.8	-165.1	1.4	107.4	D218	R216-D218 PolarHBondContact O-N 3.49Å
217	R	40.1	Very low	49.1	Very low	194 Å²	194	104.2 Å²	104.2	73%	0.732	54%	0.543	S	S	*	.			trans	-76.2	105.7	161.9	-66.8	-170.1	-151.5	-179.9	6.1	103.4	R215 H219	R215-R217 PolarHBondContact O-N 2.71Å; R217-H219 VanDerWaalsContact C-N 3.28Å; R217-H219 PolarHBondContact O-N 3.2Å; R217-H219 PolarHBondContact O-ND1 3.35Å
218	D	37.4	Very low	46.9	Very low	140 Å²	140	108 Å²	108	75%	0.749	57%	0.566	S	S	*	*			trans	-48.9	100.8	163.4	-158.9	12.8	0	0	0	106	R216 R220	R216-D218 PolarHBondContact O-N 3.49Å; D218-R220 PolarHBondContact O-N 3.34Å
219	H	46.5	Very low	44.8	Very low	90 Å²	90	104.4 Å²	104.4	42%	0.417	55%	0.553	S	S	.	*			trans	-75.4	78.2	178.5	-80.1	31	0	0	0	104.9	R217 W221	R217-H219 VanDerWaalsContact C-N 3.28Å; R217-H219 PolarHBondContact O-N 3.2Å; R217-H219 PolarHBondContact O-ND1 3.35Å; H219-W221 VanDerWaalsContact C-N 3.26Å; H219-W221 PolarHBondContact O-N 2.66Å
220	R	38.8	Very low	43.4	Very low	229 Å²	229	103.2 Å²	103.2	86%	0.864	55%	0.55	S	S	*	*			trans	-66.4	96.5	169.9	-155.4	177.1	-152.9	-155.6	4.9	106.1	D218 S222	D218-R220 PolarHBondContact O-N 3.34Å; R220-S222 PolarHBondContact O-N 2.03Å
221	W	44.1	Very low	43	Very low	58 Å²	58	103.7 Å²	103.7	22%	0.22	54%	0.54	C	S	.	.			trans	-54.2	111.8	179.7	-72.7	73.2	0	0	0	108.6	A64 I67 H219 H225 I229	A64-W221 HydrophobicContact CB-CH2 4.02Å; A64-W221 HydrophobicContact CB-CZ2 3.69Å; I67-W221 HydrophobicContact CD1-CZ2 3.81Å; H219-W221 VanDerWaalsContact C-N 3.26Å; H219-W221 PolarHBondContact O-N 2.66Å; W221-H225 HydrophobicContact CD2-CB 4.13Å; W221-H225 HydrophobicContact CE3-CB 3.26Å; W221-H225 HydrophobicContact CZ3-CB 3.64Å; W221-I229 HydrophobicContact CH2-CD1 3.2Å; W221-I229 HydrophobicContact CH2-CG1 4.25Å; W221-I229 HydrophobicContact CZ2-CD1 4.45Å; W221-I229 HydrophobicContact CZ3-CD1 3.33Å; W221-I229 HydrophobicContact CZ3-CG1 3.9Å
222	S	39.4	Very low	42.8	Very low	53 Å²	53	101.1 Å²	101.1	37%	0.371	51%	0.512	S	S	.	.			trans	-68.3	154.4	167	71.4	0	0	0	0	109.1	R220 H224 H225	R220-S222 PolarHBondContact O-N 2.03Å; S222-H224 PolarHBondContact O-N 3.3Å; S222-H225 PolarHBondContact O-N 3.48Å; S222-H225 PolarHBondContact OG-CD2 3.41Å
223	S	39.7	Very low	42.5	Very low	100 Å²	100	103.1 Å²	103.1	70%	0.699	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-23.2	-179.6	-49	0	0	0	0	113.6	T227	S223-T227 PolarHBondContact O-N 3.03Å; S223-T227 PolarHBondContact O-OG1 3.16Å
224	H	39.3	Very low	42	Very low	148 Å²	148	104 Å²	104	69%	0.685	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-31.9	174.7	-70.7	-61.8	0	0	0	114.3	S222 T227 V228	S222-H224 PolarHBondContact O-N 3.3Å; H224-T227 WeakPolarHBondContact CA-OG1 3.2Å; H224-T227 WeakPolarHBondContact O-CB 3.49Å; H224-T227 PolarHBondContact O-N 2.96Å; H224-T227 VanDerWaalsContact O-N 3.17Å; H224-T227 PolarHBondContact O-OG1 3.19Å; H224-V228 PolarHBondContact O-N 3.43Å
225	H	45.6	Very low	41.9	Very low	82 Å²	82	106.1 Å²	106.1	38%	0.38	53%	0.528	S	S	.	.	H	α-helix	trans	-73.5	-33.4	177.8	-63.8	-44.3	0	0	0	112.1	W221 S222 T227 V228 I229	W221-H225 HydrophobicContact CD2-CB 4.13Å; W221-H225 HydrophobicContact CE3-CB 3.26Å; W221-H225 HydrophobicContact CZ3-CB 3.64Å; S222-H225 PolarHBondContact O-N 3.48Å; S222-H225 PolarHBondContact OG-CD2 3.41Å; H225-T227 PolarHBondContact O-N 2.81Å; H225-V228 PolarHBondContact O-N 2.85Å; H225-I229 PolarHBondContact O-N 3.17Å
226	L	44.7	Very low	42.1	Very low	96 Å²	96	98.1 Å²	98.1	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-66.4	-17.8	169.2	-73.3	163.7	0	0	0	112.5	G230	L226-G230 WeakPolarHBondContact O-CA 3.31Å; L226-G230 PolarHBondContact O-N 3.33Å
227	T	44.4	Very low	41.8	Very low	93 Å²	93	98.3 Å²	98.3	57%	0.571	51%	0.513	S	S	*	.	H	α-helix	trans	-84.4	-24.7	176.5	-27.4	0	0	0	0	112.9	S223 H224 H225 P231	S223-T227 PolarHBondContact O-N 3.03Å; S223-T227 PolarHBondContact O-OG1 3.16Å; H224-T227 WeakPolarHBondContact CA-OG1 3.2Å; H224-T227 WeakPolarHBondContact O-CB 3.49Å; H224-T227 PolarHBondContact O-N 2.96Å; H224-T227 VanDerWaalsContact O-N 3.17Å; H224-T227 PolarHBondContact O-OG1 3.19Å; H225-T227 PolarHBondContact O-N 2.81Å; T227-P231 WeakPolarHBondContact O-CD 2.97Å
228	V	49.1	Very low	41.9	Very low	83 Å²	83	93.5 Å²	93.5	50%	0.503	50%	0.502	S	S	.	.	H	α-helix	trans	-84.5	-38.6	178.2	-179.7	0	0	0	0	111.2	H224 H225	H224-V228 PolarHBondContact O-N 3.43Å; H225-V228 PolarHBondContact O-N 2.85Å
229	I	49.2	Very low	42.1	Very low	9 Å²	9	91.1 Å²	91.1	5%	0.046	49%	0.489	C	S	.	.	H	α-helix	trans	-93	-18.7	175.5	-44.7	-164	0	0	0	111.6	W221 H225 P231 L232 I233	W221-I229 HydrophobicContact CH2-CD1 3.2Å; W221-I229 HydrophobicContact CH2-CG1 4.25Å; W221-I229 HydrophobicContact CZ2-CD1 4.45Å; W221-I229 HydrophobicContact CZ3-CD1 3.33Å; W221-I229 HydrophobicContact CZ3-CG1 3.9Å; H225-I229 PolarHBondContact O-N 3.17Å; I229-P231 VanDerWaalsContact C-CD 3.47Å; I229-P231 VanDerWaalsContact C-N 3.34Å; I229-L232 WeakPolarHBondContact O-CA 3.34Å; I229-L232 WeakPolarHBondContact O-CB 3.04Å; I229-L232 PolarHBondContact O-N 3.35Å; I229-I233 HydrophobicContact CB-CD1 4.41Å; I229-I233 HydrophobicContact CG2-CD1 4.03Å; I229-I233 HydrophobicContact CG2-CG1 4.2Å; I229-I233 WeakPolarHBondContact O-CG1 2.99Å; I229-I233 PolarHBondContact O-N 3.01Å
230	G	42.8	Very low	41.8	Very low	18 Å²	18	91.1 Å²	91.1	19%	0.186	49%	0.493	C	S	.	.	H	α-helix	trans	-52.3	-40.1	177.7	0	0	0	0	0	115.1	L226 L232 I233 S234	L226-G230 WeakPolarHBondContact O-CA 3.31Å; L226-G230 PolarHBondContact O-N 3.33Å; G230-L232 VanDerWaalsContact C-N 3.27Å; G230-L232 PolarHBondContact O-N 3.04Å; G230-I233 CarbonylContact O-C 3.49Å; G230-I233 PolarHBondContact O-N 3.08Å; G230-S234 WeakPolarHBondContact O-CB 3.49Å; G230-S234 PolarHBondContact O-N 3.07Å
231	P	45.5	Very low	42	Very low	85 Å²	85	83 Å²	83	55%	0.552	47%	0.471	S	S	*	.	H	α-helix	trans	-65.3	-27.9	174.9	-23.1	33.4	0	0	0	113.6	T227 I229 A235	T227-P231 WeakPolarHBondContact O-CD 2.97Å; I229-P231 VanDerWaalsContact C-CD 3.47Å; I229-P231 VanDerWaalsContact C-N 3.34Å; P231-A235 WeakPolarHBondContact O-CB 3.49Å; P231-A235 PolarHBondContact O-N 2.55Å
232	L	45.8	Very low	41.9	Very low	49 Å²	49	84.6 Å²	84.6	26%	0.257	49%	0.487	S	S	.	.	H	α-helix	trans	-79.2	-33.4	173.6	-68.5	159.6	0	0	0	111.7	M90 I229 G230	M90-L232 HydrophobicContact CE-CD1 3.36Å; M90-L232 HydrophobicContact CE-CD2 4.21Å; M90-L232 HydrophobicContact CE-CG 4.44Å; I229-L232 WeakPolarHBondContact O-CA 3.34Å; I229-L232 WeakPolarHBondContact O-CB 3.04Å; I229-L232 PolarHBondContact O-N 3.35Å; G230-L232 VanDerWaalsContact C-N 3.27Å; G230-L232 PolarHBondContact O-N 3.04Å
233	I	44.4	Very low	42.1	Very low	69 Å²	69	86.7 Å²	86.7	35%	0.354	50%	0.495	S	S	.	.	H	α-helix	trans	-73.7	-33.5	173.7	-62.7	166.3	0	0	0	111.1	I229 G230 T236	I229-I233 HydrophobicContact CB-CD1 4.41Å; I229-I233 HydrophobicContact CG2-CD1 4.03Å; I229-I233 HydrophobicContact CG2-CG1 4.2Å; I229-I233 WeakPolarHBondContact O-CG1 2.99Å; I229-I233 PolarHBondContact O-N 3.01Å; G230-I233 CarbonylContact O-C 3.49Å; G230-I233 PolarHBondContact O-N 3.08Å; I233-T236 PolarHBondContact O-OG1 2.81Å
234	S	34.4	Very low	42.2	Very low	81 Å²	81	85.7 Å²	85.7	57%	0.566	48%	0.48	S	S	*	.	H	α-helix	trans	-90.8	-11.3	-174.3	-159.9	0	0	0	0	114	G230 T236	G230-S234 WeakPolarHBondContact O-CB 3.49Å; G230-S234 PolarHBondContact O-N 3.07Å; S234-T236 PolarHBondContact O-N 3.23Å
235	A	32.4	Very low	42.4	Very low	80 Å²	80	80.9 Å²	80.9	66%	0.661	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	10.3	170	0	0	0	0	0	113.4	P231	P231-A235 WeakPolarHBondContact O-CB 3.49Å; P231-A235 PolarHBondContact O-N 2.55Å
236	T	39.6	Very low	42.2	Very low	64 Å²	64	80.8 Å²	80.8	39%	0.393	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	22.9	177.6	40.1	0	0	0	0	113.9	I233 S234	I233-T236 PolarHBondContact O-OG1 2.81Å; S234-T236 PolarHBondContact O-N 3.23Å
237	F	33.9	Very low	42	Very low	243 Å²	243	79.5 Å²	79.5	100%	1.066	47%	0.469	S	S	*	.			trans	-108.3	0	161.1	-70.9	-79.5	0	0	0	110.5

Retrieved 237 of 237 residues in 486.5 ms (Link to these results)

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