A0A087YSP0_POEFO Loading...

Synthesis of cytochrome C oxidase 2

AlphaFold DB , UniProt , Accession A0A087YSP0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 222 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	S	41.3	Very low	51	Low	177 Å²	177	149.4 Å²	149.4	100%	1.238	83%	0.832	S	S	*	*				0	109.8	0	-176.2	0	0	0	0	107.7
2	L	49.5	Very low	51.9	Low	173 Å²	173	144.3 Å²	144.3	91%	0.906	82%	0.824	S	S	*	*			trans	-83.3	130.5	-179.3	-79.1	143.7	0	0	0	109.4
3	S	43.5	Very low	52.9	Low	122 Å²	122	140.2 Å²	140.2	85%	0.853	80%	0.797	S	S	*	*			trans	-150.4	111.6	145.3	53.1	0	0	0	0	110.4
4	R	48.8	Very low	54.7	Low	239 Å²	239	141.7 Å²	141.7	90%	0.902	79%	0.79	S	S	*	*			trans	-74.7	147.8	169.4	-126	176.5	-126.6	179.9	-0.1	108.6
5	T	57.5	Low	56.4	Low	120 Å²	120	140.7 Å²	140.7	74%	0.736	78%	0.782	S	S	*	*			trans	-60.4	173.5	169.7	47.7	0	0	0	0	112.2
6	P	50	Low	57.8	Low	127 Å²	127	141.8 Å²	141.8	83%	0.825	78%	0.779	S	S	*	*				-124.2	124.8	110.5	31.6	-23.6	0	0	0	112.2
7	D	52	Low	59.2	Low	134 Å²	134	137.4 Å²	137.4	72%	0.717	76%	0.757	S	S	*	*			trans	-60.6	124.9	162.3	-177.9	9.8	0	0	0	109
8	S	50.6	Low	60.4	Low	108 Å²	108	138 Å²	138	76%	0.755	75%	0.746	S	S	*	*			trans	-105.2	73.2	175.4	64.9	0	0	0	0	109.6	R10	S8-R10 PolarHBondContact O-N 2.84Å
9	S	48.7	Very low	61.7	Low	86 Å²	86	136.2 Å²	136.2	60%	0.601	74%	0.736	S	S	*	*			trans	-66.1	99.2	172.7	61	0	0	0	0	110.2	V11	S9-V11 PolarHBondContact O-N 3.2Å; S9-V11 VanDerWaalsContact O-N 3.15Å
10	R	59	Low	63	Low	236 Å²	236	131.1 Å²	131.1	89%	0.891	72%	0.716	S	S	*	*			trans	-70	104.8	163.4	-72.1	-175.6	-174.5	-175.8	2	107.9	S8 A12	S8-R10 PolarHBondContact O-N 2.84Å; R10-A12 PolarHBondContact O-N 3.28Å
11	V	60.1	Low	64.2	Low	121 Å²	121	128.7 Å²	128.7	73%	0.733	71%	0.706	S	S	*	*			trans	-64.3	98.6	173.4	-179.3	0	0	0	0	108.6	S9 L13	S9-V11 PolarHBondContact O-N 3.2Å; S9-V11 VanDerWaalsContact O-N 3.15Å; V11-L13 PolarHBondContact O-N 3.13Å
12	A	61.4	Low	66.4	Low	88 Å²	88	124.8 Å²	124.8	73%	0.727	67%	0.674	S	S	*	*			trans	-73	91.2	173.2	0	0	0	0	0	109.1	R10 K14	R10-A12 PolarHBondContact O-N 3.28Å; A12-K14 PolarHBondContact O-N 3.33Å
13	L	64.7	Low	68.5	Low	91 Å²	91	122.4 Å²	122.4	48%	0.476	66%	0.662	S	S	.	*			trans	-55.5	126.1	173.5	-83.5	131.9	0	0	0	110.6	V11 T17 R18	V11-L13 PolarHBondContact O-N 3.13Å; L13-T17 HydrophobicContact CD2-CG2 3.55Å; L13-R18 HydrophobicContact CB-CG 4.1Å
14	K	78.8	Confident	70.9	Confident	162 Å²	162	122.8 Å²	122.8	70%	0.704	65%	0.654	S	S	*	*			trans	-53.8	140	174.1	-70.4	-177.3	178.5	179.9	0	109.8	A12 Q16 T17 R18	A12-K14 PolarHBondContact O-N 3.33Å; K14-Q16 PolarHBondContact O-N 3.37Å; K14-T17 WeakPolarHBondContact O-CA 3.47Å; K14-T17 WeakPolarHBondContact O-CB 3.23Å; K14-T17 PolarHBondContact O-N 2.82Å; K14-T17 PolarHBondContact O-OG1 3.44Å; K14-T17 VanDerWaalsContact O-OG1 3.09Å; K14-R18 PolarHBondContact O-N 3.23Å
15	L	80.6	Confident	73	Confident	126 Å²	126	115.4 Å²	115.4	66%	0.66	64%	0.635	S	S	*	*	H	α-helix	trans	-48.4	-38.3	-177.4	-177.6	63.3	0	0	0	113.2	T17 R18 L19	L15-T17 VanDerWaalsContact C-N 3.33Å; L15-T17 PolarHBondContact O-N 2.58Å; L15-R18 PolarHBondContact O-N 2.88Å; L15-L19 HydrophobicContact CG-CD1 4.06Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 2.85Å
16	Q	78.9	Confident	74.7	Confident	158 Å²	158	111.1 Å²	111.1	74%	0.738	61%	0.614	S	S	*	*	H	α-helix	trans	-58.9	-40.7	175.4	-68.6	177.7	-34.1	0	0	113	K14 L19 G20	K14-Q16 PolarHBondContact O-N 3.37Å; Q16-L19 PolarHBondContact O-N 3.49Å; Q16-G20 PolarHBondContact O-N 3.46Å
17	T	80.6	Confident	76.8	Confident	67 Å²	67	109.5 Å²	109.5	41%	0.411	60%	0.602	S	S	.	*	H	α-helix	trans	-68	-39.3	176.8	-26.4	0	0	0	0	111.2	L13 K14 L15 G20 V21	L13-T17 HydrophobicContact CD2-CG2 3.55Å; K14-T17 WeakPolarHBondContact O-CA 3.47Å; K14-T17 WeakPolarHBondContact O-CB 3.23Å; K14-T17 PolarHBondContact O-N 2.82Å; K14-T17 PolarHBondContact O-OG1 3.44Å; K14-T17 VanDerWaalsContact O-OG1 3.09Å; L15-T17 VanDerWaalsContact C-N 3.33Å; L15-T17 PolarHBondContact O-N 2.58Å; T17-G20 PolarHBondContact O-N 2.93Å; T17-V21 VanDerWaalsContact O-CG2 3.28Å; T17-V21 WeakPolarHBondContact O-CG2 3.46Å; T17-V21 PolarHBondContact O-N 3.3Å
18	R	81.1	Confident	78.9	Confident	149 Å²	149	105.2 Å²	105.2	56%	0.562	59%	0.589	S	S	*	*	H	α-helix	trans	-63.9	-45.5	176.1	-68.6	-179.6	168.3	-178	-3.2	111.2	L13 K14 L15 V21 T22	L13-R18 HydrophobicContact CB-CG 4.1Å; K14-R18 PolarHBondContact O-N 3.23Å; L15-R18 PolarHBondContact O-N 2.88Å; R18-V21 PolarHBondContact O-N 3.04Å; R18-T22 PolarHBondContact O-N 2.93Å; R18-T22 PolarHBondContact O-OG1 3.15Å
19	L	85.8	Confident	81	Confident	104 Å²	104	105.6 Å²	105.6	55%	0.545	58%	0.582	S	S	.	*	H	α-helix	trans	-61.2	-43.6	176.1	-73.7	166.9	0	0	0	111.9	L15 Q16 T22 L23	L15-L19 HydrophobicContact CG-CD1 4.06Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 2.85Å; Q16-L19 PolarHBondContact O-N 3.49Å; L19-T22 WeakPolarHBondContact CA-OG1 3.47Å; L19-T22 PolarHBondContact O-N 3.28Å; L19-T22 PolarHBondContact O-OG1 3.45Å; L19-L23 WeakPolarHBondContact O-CB 3.41Å; L19-L23 PolarHBondContact O-N 2.94Å
20	G	87.7	Confident	83.2	Confident	33 Å²	33	106.8 Å²	106.8	34%	0.34	58%	0.581	S	S	.	*	H	α-helix	trans	-62.4	-44.1	176.7	0	0	0	0	0	113	Q16 T17 L23 L24	Q16-G20 PolarHBondContact O-N 3.46Å; T17-G20 PolarHBondContact O-N 2.93Å; G20-L23 PolarHBondContact O-N 2.89Å; G20-L24 WeakPolarHBondContact O-CG 3.32Å; G20-L24 PolarHBondContact O-N 2.92Å
21	V	87.8	Confident	84.9	Confident	82 Å²	82	97.3 Å²	97.3	50%	0.497	56%	0.557	S	S	.	*	H	α-helix	trans	-64.9	-44.3	176.8	172	0	0	0	0	111.2	T17 R18 L23 L24 V25	T17-V21 VanDerWaalsContact O-CG2 3.28Å; T17-V21 WeakPolarHBondContact O-CG2 3.46Å; T17-V21 PolarHBondContact O-N 3.3Å; R18-V21 PolarHBondContact O-N 3.04Å; V21-L23 VanDerWaalsContact C-N 3.32Å; V21-L23 PolarHBondContact O-N 2.93Å; V21-L24 PolarHBondContact O-N 2.9Å; V21-V25 HydrophobicContact CG1-CG2 4.42Å; V21-V25 WeakPolarHBondContact O-CG2 3.29Å; V21-V25 PolarHBondContact O-N 2.96Å
22	T	88.1	Confident	86.5	Confident	94 Å²	94	94.1 Å²	94.1	58%	0.577	54%	0.543	S	S	*	.	H	α-helix	trans	-64.1	-37	177.7	44.8	0	0	0	0	112.6	R18 L19 G26	R18-T22 PolarHBondContact O-N 2.93Å; R18-T22 PolarHBondContact O-OG1 3.15Å; L19-T22 WeakPolarHBondContact CA-OG1 3.47Å; L19-T22 PolarHBondContact O-N 3.28Å; L19-T22 PolarHBondContact O-OG1 3.45Å; T22-G26 PolarHBondContact O-N 3.09Å
23	L	93.4	Very high	87.9	Confident	123 Å²	123	97.9 Å²	97.9	64%	0.644	54%	0.539	S	S	*	.	H	α-helix	trans	-64.5	-46.4	175.8	-169.7	81.9	0	0	0	110.9	L19 G20 V21 V25 G26 V27	L19-L23 WeakPolarHBondContact O-CB 3.41Å; L19-L23 PolarHBondContact O-N 2.94Å; G20-L23 PolarHBondContact O-N 2.89Å; V21-L23 VanDerWaalsContact C-N 3.32Å; V21-L23 PolarHBondContact O-N 2.93Å; L23-V25 PolarHBondContact O-N 2.77Å; L23-G26 PolarHBondContact O-N 3.41Å; L23-V27 WeakPolarHBondContact O-CG2 3.29Å; L23-V27 PolarHBondContact O-N 3.24Å
24	L	93.6	Very high	89.1	Confident	131 Å²	131	101.3 Å²	101.3	69%	0.686	55%	0.545	S	S	*	.	H	α-helix	trans	-61	-44.2	178.1	-77.4	169.3	0	0	0	112.3	G20 V21 V27 G28	G20-L24 WeakPolarHBondContact O-CG 3.32Å; G20-L24 PolarHBondContact O-N 2.92Å; V21-L24 PolarHBondContact O-N 2.9Å; L24-V27 PolarHBondContact O-N 2.96Å; L24-G28 PolarHBondContact O-N 3.39Å
25	V	93.6	Very high	89.7	Confident	84 Å²	84	100.2 Å²	100.2	51%	0.509	54%	0.537	S	S	.	.	H	α-helix	trans	-64	-44	175.9	173.5	0	0	0	0	110.8	V21 L23 V27 G28 L29	V21-V25 HydrophobicContact CG1-CG2 4.42Å; V21-V25 WeakPolarHBondContact O-CG2 3.29Å; V21-V25 PolarHBondContact O-N 2.96Å; L23-V25 PolarHBondContact O-N 2.77Å; V25-V27 PolarHBondContact O-N 3.22Å; V25-G28 PolarHBondContact O-N 3.34Å; V25-L29 HydrophobicContact CG1-CD1 3.95Å; V25-L29 HydrophobicContact CG1-CG 4.34Å; V25-L29 WeakPolarHBondContact O-CG 3.37Å; V25-L29 PolarHBondContact O-N 2.55Å
26	G	92.3	Very high	90.2	Very high	29 Å²	29	97.8 Å²	97.8	30%	0.299	53%	0.527	S	S	.	.	H	α-helix	trans	-59.8	-45.8	177.1	0	0	0	0	0	112.9	T22 L23 L29 L30	T22-G26 PolarHBondContact O-N 3.09Å; L23-G26 PolarHBondContact O-N 3.41Å; G26-L29 PolarHBondContact O-N 3.14Å; G26-L30 WeakPolarHBondContact O-CB 3.45Å; G26-L30 VanDerWaalsContact O-CG 3.31Å; G26-L30 WeakPolarHBondContact O-CG 3.43Å; G26-L30 PolarHBondContact O-N 3.43Å
27	V	95	Very high	90.6	Very high	93 Å²	93	93 Å²	93	56%	0.564	51%	0.505	S	S	*	.	H	α-helix	trans	-64.1	-41.7	176	172.4	0	0	0	0	111.3	L23 L24 V25 L30 G31	L23-V27 WeakPolarHBondContact O-CG2 3.29Å; L23-V27 PolarHBondContact O-N 3.24Å; L24-V27 PolarHBondContact O-N 2.96Å; V25-V27 PolarHBondContact O-N 3.22Å; V27-L30 PolarHBondContact O-N 2.77Å; V27-G31 PolarHBondContact O-N 3.43Å
28	G	95.4	Very high	90.6	Very high	44 Å²	44	93.9 Å²	93.9	45%	0.454	50%	0.504	S	S	.	.	H	α-helix	trans	-62	-43.6	176.3	0	0	0	0	0	112.9	L24 V25 G31 A32	L24-G28 PolarHBondContact O-N 3.39Å; V25-G28 PolarHBondContact O-N 3.34Å; G28-G31 PolarHBondContact O-N 3.27Å; G28-A32 WeakPolarHBondContact O-CB 3.48Å; G28-A32 PolarHBondContact O-N 2.82Å
29	L	95.6	Very high	90.7	Very high	117 Å²	117	90 Å²	90	61%	0.613	49%	0.493	S	S	*	.	H	α-helix	trans	-66.2	-41.6	176.4	-70.6	173.7	0	0	0	112.1	V25 G26 A32 W33	V25-L29 HydrophobicContact CG1-CD1 3.95Å; V25-L29 HydrophobicContact CG1-CG 4.34Å; V25-L29 WeakPolarHBondContact O-CG 3.37Å; V25-L29 PolarHBondContact O-N 2.55Å; G26-L29 PolarHBondContact O-N 3.14Å; L29-A32 PolarHBondContact O-N 3.39Å; L29-W33 VanDerWaalsContact O-CB 3.24Å; L29-W33 WeakPolarHBondContact O-CB 3.46Å; L29-W33 PolarHBondContact O-N 2.74Å
30	L	94.6	Very high	90.5	Very high	111 Å²	111	89.7 Å²	89.7	58%	0.581	49%	0.487	S	S	*	.	H	α-helix	trans	-65.2	-41	175.3	-73.8	170.4	0	0	0	111.9	G26 V27 W33 W34	G26-L30 WeakPolarHBondContact O-CB 3.45Å; G26-L30 VanDerWaalsContact O-CG 3.31Å; G26-L30 WeakPolarHBondContact O-CG 3.43Å; G26-L30 PolarHBondContact O-N 3.43Å; V27-L30 PolarHBondContact O-N 2.77Å; L30-W33 PolarHBondContact O-N 3.04Å; L30-W34 VanDerWaalsContact O-CB 3.27Å; L30-W34 WeakPolarHBondContact O-CB 3.45Å; L30-W34 PolarHBondContact O-N 2.93Å
31	G	94.2	Very high	90.1	Very high	37 Å²	37	91.6 Å²	91.6	38%	0.381	49%	0.487	S	S	.	.	H	α-helix	trans	-64.2	-44.8	175.7	0	0	0	0	0	112.4	V27 G28 W34 W35	V27-G31 PolarHBondContact O-N 3.43Å; G28-G31 PolarHBondContact O-N 3.27Å; G31-W34 PolarHBondContact O-N 2.97Å; G31-W35 WeakPolarHBondContact O-CB 3.47Å; G31-W35 PolarHBondContact O-N 3.29Å
32	A	93	Very high	89.5	Confident	53 Å²	53	92.5 Å²	92.5	44%	0.438	49%	0.486	S	S	.	.	H	α-helix	trans	-64.5	-42.7	175.2	0	0	0	0	0	111.9	G28 L29 W35 V36	G28-A32 WeakPolarHBondContact O-CB 3.48Å; G28-A32 PolarHBondContact O-N 2.82Å; L29-A32 PolarHBondContact O-N 3.39Å; A32-W35 PolarHBondContact O-N 2.79Å; A32-V36 WeakPolarHBondContact O-CB 3.27Å; A32-V36 VanDerWaalsContact O-CG2 3.3Å; A32-V36 WeakPolarHBondContact O-CG2 3.14Å; A32-V36 PolarHBondContact O-N 2.76Å
33	W	92.1	Very high	89.1	Confident	167 Å²	167	95.8 Å²	95.8	63%	0.633	49%	0.487	S	S	*	.	H	α-helix	trans	-62.2	-45.6	175.5	175.8	72.8	0	0	0	111.9	L29 L30 W35 V36 E37	L29-W33 VanDerWaalsContact O-CB 3.24Å; L29-W33 WeakPolarHBondContact O-CB 3.46Å; L29-W33 PolarHBondContact O-N 2.74Å; L30-W33 PolarHBondContact O-N 3.04Å; W33-W35 PolarHBondContact O-N 2.82Å; W33-V36 PolarHBondContact O-N 2.7Å; W33-E37 WeakPolarHBondContact O-CB 3.45Å; W33-E37 PolarHBondContact O-N 2.8Å
34	W	89.9	Confident	88.4	Confident	163 Å²	163	96.5 Å²	96.5	62%	0.617	48%	0.482	S	S	*	.	H	α-helix	trans	-61.8	-42.6	176.3	-178.9	75.6	0	0	0	111.9	L30 G31 E37 Q38	L30-W34 VanDerWaalsContact O-CB 3.27Å; L30-W34 WeakPolarHBondContact O-CB 3.45Å; L30-W34 PolarHBondContact O-N 2.93Å; G31-W34 PolarHBondContact O-N 2.97Å; W34-E37 PolarHBondContact O-N 2.72Å; W34-Q38 VanDerWaalsContact O-CB 3.32Å; W34-Q38 WeakPolarHBondContact O-CB 3.44Å; W34-Q38 PolarHBondContact O-N 3.01Å
35	W	89.8	Confident	87.4	Confident	139 Å²	139	95.8 Å²	95.8	53%	0.527	47%	0.47	S	S	.	.	H	α-helix	trans	-63.3	-46	175.8	177.8	75	0	0	0	112.4	G31 A32 W33 E37 Q38 E39	G31-W35 WeakPolarHBondContact O-CB 3.47Å; G31-W35 PolarHBondContact O-N 3.29Å; A32-W35 PolarHBondContact O-N 2.79Å; W33-W35 PolarHBondContact O-N 2.82Å; W35-E37 PolarHBondContact O-N 2.77Å; W35-Q38 PolarHBondContact O-N 2.95Å; W35-E39 HydrophobicContact CZ2-CG 4.2Å; W35-E39 WeakPolarHBondContact CZ2-OE1 3.26Å; W35-E39 PolarHBondContact O-N 2.96Å
36	V	91.7	Very high	86.5	Confident	76 Å²	76	100.5 Å²	100.5	46%	0.461	48%	0.479	S	S	.	.	H	α-helix	trans	-62.2	-42.8	176.1	169.3	0	0	0	0	111.3	A32 W33 Q38 E39 K40	A32-V36 WeakPolarHBondContact O-CB 3.27Å; A32-V36 VanDerWaalsContact O-CG2 3.3Å; A32-V36 WeakPolarHBondContact O-CG2 3.14Å; A32-V36 PolarHBondContact O-N 2.76Å; W33-V36 PolarHBondContact O-N 2.7Å; V36-Q38 VanDerWaalsContact C-N 3.34Å; V36-E39 PolarHBondContact O-N 3.23Å; V36-K40 VanDerWaalsContact O-CB 3.27Å; V36-K40 WeakPolarHBondContact O-CB 3.37Å; V36-K40 PolarHBondContact O-N 3.38Å
37	E	86.6	Confident	85.9	Confident	58 Å²	58	104.7 Å²	104.7	27%	0.271	49%	0.49	S	S	.	.	H	α-helix	trans	-64.4	-42	177	-171.3	57.2	-145.8	0	0	110.5	W33 W34 W35 E39 K40 Q41	W33-E37 WeakPolarHBondContact O-CB 3.45Å; W33-E37 PolarHBondContact O-N 2.8Å; W34-E37 PolarHBondContact O-N 2.72Å; W35-E37 PolarHBondContact O-N 2.77Å; E37-E39 PolarHBondContact O-N 2.96Å; E37-K40 PolarHBondContact O-N 3.22Å; E37-Q41 WeakPolarHBondContact O-CB 3.18Å; E37-Q41 WeakPolarHBondContact O-CG 3.33Å; E37-Q41 PolarHBondContact O-N 3.1Å; E37-Q41 PolarHBondContact OE1-NE2 3.39Å
38	Q	80.9	Confident	84.8	Confident	84 Å²	84	108.2 Å²	108.2	39%	0.393	49%	0.494	S	S	.	.	H	α-helix	trans	-61.3	-45.8	176.9	-162	-175.8	23.1	0	0	112	W34 W35 V36 Q41 Q42	W34-Q38 VanDerWaalsContact O-CB 3.32Å; W34-Q38 WeakPolarHBondContact O-CB 3.44Å; W34-Q38 PolarHBondContact O-N 3.01Å; W35-Q38 PolarHBondContact O-N 2.95Å; V36-Q38 VanDerWaalsContact C-N 3.34Å; Q38-Q41 PolarHBondContact O-N 2.71Å; Q38-Q42 WeakPolarHBondContact O-CG 3.24Å; Q38-Q42 PolarHBondContact O-N 3.39Å
39	E	84	Confident	83.5	Confident	69 Å²	69	108 Å²	108	32%	0.322	48%	0.483	S	S	.	.	H	α-helix	trans	-62	-43.4	174.7	-79.2	-152.6	160.7	0	0	112.1	W35 V36 E37 Q41 Q42 R43	W35-E39 HydrophobicContact CZ2-CG 4.2Å; W35-E39 WeakPolarHBondContact CZ2-OE1 3.26Å; W35-E39 PolarHBondContact O-N 2.96Å; V36-E39 PolarHBondContact O-N 3.23Å; E37-E39 PolarHBondContact O-N 2.96Å; E39-Q41 VanDerWaalsContact C-N 3.31Å; E39-Q41 PolarHBondContact O-N 3.18Å; E39-Q42 PolarHBondContact O-N 2.89Å; E39-R43 WeakPolarHBondContact O-CG 3.31Å; E39-R43 PolarHBondContact O-N 2.89Å; E39-R43 IonicContact OE2-NH2 3.91Å
40	K	82.1	Confident	82.4	Confident	96 Å²	96	108.5 Å²	108.5	42%	0.417	48%	0.482	S	S	.	.	H	α-helix	trans	-62.8	-40.5	179.8	-170.4	179	-178.5	-177.6	0	111.3	V36 E37 R43 R44	V36-K40 VanDerWaalsContact O-CB 3.27Å; V36-K40 WeakPolarHBondContact O-CB 3.37Å; V36-K40 PolarHBondContact O-N 3.38Å; E37-K40 PolarHBondContact O-N 3.22Å; K40-R43 PolarHBondContact O-N 3.44Å; K40-R44 WeakPolarHBondContact O-CB 3.38Å; K40-R44 VanDerWaalsContact O-CG 3.32Å; K40-R44 WeakPolarHBondContact O-CG 3.3Å; K40-R44 PolarHBondContact O-N 2.94Å
41	Q	77.8	Confident	81.2	Confident	74 Å²	74	109.2 Å²	109.2	35%	0.346	48%	0.483	S	S	.	.	H	α-helix	trans	-63.4	-44.2	173.8	-67.9	-68.4	-17.3	0	0	111.2	E37 Q38 E39 R44 R45	E37-Q41 WeakPolarHBondContact O-CB 3.18Å; E37-Q41 WeakPolarHBondContact O-CG 3.33Å; E37-Q41 PolarHBondContact O-N 3.1Å; E37-Q41 PolarHBondContact OE1-NE2 3.39Å; Q38-Q41 PolarHBondContact O-N 2.71Å; E39-Q41 VanDerWaalsContact C-N 3.31Å; E39-Q41 PolarHBondContact O-N 3.18Å; Q41-R44 PolarHBondContact O-N 3.48Å; Q41-R45 WeakPolarHBondContact O-CB 3.33Å; Q41-R45 WeakPolarHBondContact O-CG 3.31Å; Q41-R45 PolarHBondContact O-N 3.41Å
42	Q	75.6	Confident	80	Confident	100 Å²	100	109.6 Å²	109.6	47%	0.467	48%	0.476	S	S	.	.	H	α-helix	trans	-62.4	-43.5	175.9	-72.7	-171.3	4.3	0	0	112.6	Q38 E39 R45 R46	Q38-Q42 WeakPolarHBondContact O-CG 3.24Å; Q38-Q42 PolarHBondContact O-N 3.39Å; E39-Q42 PolarHBondContact O-N 2.89Å; Q42-R45 WeakPolarHBondContact O-CB 3.45Å; Q42-R45 PolarHBondContact O-N 3.35Å; Q42-R46 WeakPolarHBondContact O-CG 3.4Å; Q42-R46 PolarHBondContact O-N 3.32Å
43	R	80.3	Confident	78.6	Confident	163 Å²	163	113.2 Å²	113.2	62%	0.615	48%	0.478	S	S	*	.	H	α-helix	trans	-61.5	-46	176.6	-72.5	176.6	-174.2	-112.2	3.9	111.7	E39 K40 R45 R46 Q47	E39-R43 WeakPolarHBondContact O-CG 3.31Å; E39-R43 PolarHBondContact O-N 2.89Å; E39-R43 IonicContact OE2-NH2 3.91Å; K40-R43 PolarHBondContact O-N 3.44Å; R43-R45 VanDerWaalsContact C-N 3.31Å; R43-R45 PolarHBondContact O-N 2.68Å; R43-R46 PolarHBondContact O-N 2.64Å; R43-Q47 WeakPolarHBondContact O-CG 3.3Å; R43-Q47 PolarHBondContact O-N 3.39Å
44	R	78.6	Confident	77	Confident	139 Å²	139	110.6 Å²	110.6	53%	0.525	48%	0.481	S	S	.	.	H	α-helix	trans	-60.3	-40.2	175.5	-74.8	175.9	174.5	-158.3	-4	112.1	K40 Q41 Q47 R48	K40-R44 WeakPolarHBondContact O-CB 3.38Å; K40-R44 VanDerWaalsContact O-CG 3.32Å; K40-R44 WeakPolarHBondContact O-CG 3.3Å; K40-R44 PolarHBondContact O-N 2.94Å; Q41-R44 PolarHBondContact O-N 3.48Å; R44-Q47 PolarHBondContact O-N 3.3Å; R44-R48 PolarHBondContact O-N 3.42Å
45	R	72.8	Confident	75.8	Confident	116 Å²	116	105.8 Å²	105.8	44%	0.438	47%	0.469	S	S	.	.	H	α-helix	trans	-62.9	-48.2	176.2	-72.7	169.2	-173.3	-145.6	0.9	111.7	Q41 Q42 R43 Q47 R48 V49	Q41-R45 WeakPolarHBondContact O-CB 3.33Å; Q41-R45 WeakPolarHBondContact O-CG 3.31Å; Q41-R45 PolarHBondContact O-N 3.41Å; Q42-R45 WeakPolarHBondContact O-CB 3.45Å; Q42-R45 PolarHBondContact O-N 3.35Å; R43-R45 VanDerWaalsContact C-N 3.31Å; R43-R45 PolarHBondContact O-N 2.68Å; R45-Q47 VanDerWaalsContact C-N 3.34Å; R45-Q47 PolarHBondContact O-N 2.91Å; R45-R48 PolarHBondContact O-N 2.66Å; R45-V49 WeakPolarHBondContact O-CG2 3.44Å; R45-V49 PolarHBondContact O-N 3.42Å
46	R	75.1	Confident	74.5	Confident	183 Å²	183	102.3 Å²	102.3	69%	0.691	47%	0.47	S	S	*	.	H	α-helix	trans	-59.1	-45.4	176.4	-71.8	-177.8	-178.9	-173.4	1.1	111.6	Q42 R43 R48 V49 E50	Q42-R46 WeakPolarHBondContact O-CG 3.4Å; Q42-R46 PolarHBondContact O-N 3.32Å; R43-R46 PolarHBondContact O-N 2.64Å; R46-R48 VanDerWaalsContact C-N 3.32Å; R46-R48 PolarHBondContact O-N 3.28Å; R46-V49 PolarHBondContact O-N 2.81Å; R46-E50 WeakPolarHBondContact O-CB 3.36Å; R46-E50 PolarHBondContact O-N 3.49Å
47	Q	79.3	Confident	73.6	Confident	117 Å²	117	100.5 Å²	100.5	55%	0.547	46%	0.458	S	S	.	.	H	α-helix	trans	-59.6	-40.4	175.7	-73.4	174.1	-19.8	0	0	112.5	R43 R44 R45 E50 Q51	R43-Q47 WeakPolarHBondContact O-CG 3.3Å; R43-Q47 PolarHBondContact O-N 3.39Å; R44-Q47 PolarHBondContact O-N 3.3Å; R45-Q47 VanDerWaalsContact C-N 3.34Å; R45-Q47 PolarHBondContact O-N 2.91Å; Q47-E50 PolarHBondContact O-N 2.91Å; Q47-Q51 WeakPolarHBondContact O-CB 3.19Å; Q47-Q51 VanDerWaalsContact O-CG 3.26Å; Q47-Q51 WeakPolarHBondContact O-CG 3.48Å; Q47-Q51 PolarHBondContact O-N 2.85Å
48	R	72.4	Confident	72.8	Confident	167 Å²	167	97.8 Å²	97.8	63%	0.63	45%	0.445	S	S	*	.	H	α-helix	trans	-65.1	-42.6	176.5	-171.7	179.4	-174.4	-177.9	1.1	112	R44 R45 R46 E50 Q51 L52	R44-R48 PolarHBondContact O-N 3.42Å; R45-R48 PolarHBondContact O-N 2.66Å; R46-R48 VanDerWaalsContact C-N 3.32Å; R46-R48 PolarHBondContact O-N 3.28Å; R48-E50 VanDerWaalsContact C-N 3.32Å; R48-Q51 WeakPolarHBondContact O-CB 3.43Å; R48-Q51 PolarHBondContact O-N 2.86Å; R48-L52 WeakPolarHBondContact O-CG 3.37Å; R48-L52 PolarHBondContact O-N 3.32Å
49	V	67.8	Low	72.5	Confident	39 Å²	39	97.7 Å²	97.7	24%	0.236	45%	0.445	C	S	.	.	H	α-helix	trans	-64.5	-39.9	176.1	175.2	0	0	0	0	110.8	R45 R46 L52 R53 L194 L222	R45-V49 WeakPolarHBondContact O-CG2 3.44Å; R45-V49 PolarHBondContact O-N 3.42Å; R46-V49 PolarHBondContact O-N 2.81Å; V49-L52 PolarHBondContact O-N 3.36Å; V49-R53 PolarHBondContact O-N 3.42Å; V49-L194 HydrophobicContact CG1-CD1 4.41Å; V49-L222 HydrophobicContact CG1-CD1 3.95Å; V49-L222 HydrophobicContact CG1-CD2 3.63Å; V49-L222 HydrophobicContact CG1-CG 4.05Å
50	E	71	Confident	72	Confident	127 Å²	127	95.4 Å²	95.4	59%	0.593	44%	0.439	S	S	*	.	H	α-helix	trans	-67.3	-37.9	175.9	-164.6	149.8	-161.6	0	0	111.9	R46 Q47 R48 R53 T54	R46-E50 WeakPolarHBondContact O-CB 3.36Å; R46-E50 PolarHBondContact O-N 3.49Å; Q47-E50 PolarHBondContact O-N 2.91Å; R48-E50 VanDerWaalsContact C-N 3.32Å; E50-R53 CarbonylContact O-C 3.5Å; E50-R53 WeakPolarHBondContact O-CA 3.5Å; E50-R53 WeakPolarHBondContact O-CB 3.47Å; E50-R53 PolarHBondContact O-N 2.93Å; E50-T54 WeakPolarHBondContact O-CG2 3.34Å; E50-T54 PolarHBondContact O-N 2.85Å
51	Q	70.9	Confident	72.1	Confident	126 Å²	126	95.6 Å²	95.6	59%	0.589	45%	0.449	S	S	*	.	H	α-helix	trans	-61.5	-45	170.1	-76	171.7	-14.4	0	0	111.7	Q47 R48 R53 T54 V55	Q47-Q51 WeakPolarHBondContact O-CB 3.19Å; Q47-Q51 VanDerWaalsContact O-CG 3.26Å; Q47-Q51 WeakPolarHBondContact O-CG 3.48Å; Q47-Q51 PolarHBondContact O-N 2.85Å; R48-Q51 WeakPolarHBondContact O-CB 3.43Å; R48-Q51 PolarHBondContact O-N 2.86Å; Q51-R53 VanDerWaalsContact C-N 3.27Å; Q51-R53 PolarHBondContact O-N 2.71Å; Q51-T54 WeakPolarHBondContact CA-OG1 3.4Å; Q51-T54 WeakPolarHBondContact O-CA 3.4Å; Q51-T54 PolarHBondContact O-N 2.83Å; Q51-T54 PolarHBondContact O-OG1 3.33Å; Q51-V55 WeakPolarHBondContact O-CG2 3.5Å; Q51-V55 PolarHBondContact O-N 3.18Å
52	L	67.8	Low	72.7	Confident	46 Å²	46	92.6 Å²	92.6	24%	0.241	44%	0.435	C	S	.	.	H	α-helix	trans	-60.9	-36.2	174.5	-69.6	170.4	0	0	0	111.9	R48 V49 T54 V55 L196	R48-L52 WeakPolarHBondContact O-CG 3.37Å; R48-L52 PolarHBondContact O-N 3.32Å; V49-L52 PolarHBondContact O-N 3.36Å; L52-T54 VanDerWaalsContact C-N 3.3Å; L52-T54 PolarHBondContact O-N 3.3Å; L52-V55 PolarHBondContact O-N 3.46Å; L52-V55 VanDerWaalsContact O-O 3.1Å; L52-L196 HydrophobicContact CD1-CD2 3.99Å
53	R	63.3	Low	73.6	Confident	128 Å²	128	90 Å²	90	48%	0.483	43%	0.428	S	S	.	.	H	α-helix	trans	-67.4	-23.1	169.3	-78.2	179	155.5	176.4	-4.1	114.1	V49 E50 Q51 Q59 L194	V49-R53 PolarHBondContact O-N 3.42Å; E50-R53 CarbonylContact O-C 3.5Å; E50-R53 WeakPolarHBondContact O-CA 3.5Å; E50-R53 WeakPolarHBondContact O-CB 3.47Å; E50-R53 PolarHBondContact O-N 2.93Å; Q51-R53 VanDerWaalsContact C-N 3.27Å; Q51-R53 PolarHBondContact O-N 2.71Å; R53-Q59 VanDerWaalsContact C-NE2 3.33Å; R53-Q59 PolarHBondContact O-NE2 2.86Å; R53-L194 HydrophobicContact CG-CD1 3.84Å; R53-L194 HydrophobicContact CG-CD2 4.09Å
54	T	59.2	Low	74.4	Confident	112 Å²	112	82.3 Å²	82.3	69%	0.687	40%	0.399	S	S	*	.	H	α-helix	trans	-82.1	-21.5	171.5	59.7	0	0	0	0	112.4	E50 Q51 L52 A56	E50-T54 WeakPolarHBondContact O-CG2 3.34Å; E50-T54 PolarHBondContact O-N 2.85Å; Q51-T54 WeakPolarHBondContact CA-OG1 3.4Å; Q51-T54 WeakPolarHBondContact O-CA 3.4Å; Q51-T54 PolarHBondContact O-N 2.83Å; Q51-T54 PolarHBondContact O-OG1 3.33Å; L52-T54 VanDerWaalsContact C-N 3.3Å; L52-T54 PolarHBondContact O-N 3.3Å; T54-A56 PolarHBondContact O-N 3.37Å
55	V	64	Low	75.3	Confident	62 Å²	62	78.4 Å²	78.4	38%	0.376	39%	0.388	S	S	.	.	S	Bend	trans	-75.4	111.2	171.3	-174.2	0	0	0	0	107.8	Q51 L52 L57 Q59	Q51-V55 WeakPolarHBondContact O-CG2 3.5Å; Q51-V55 PolarHBondContact O-N 3.18Å; L52-V55 PolarHBondContact O-N 3.46Å; L52-V55 VanDerWaalsContact O-O 3.1Å; V55-L57 HydrophobicContact CG1-CB 3.89Å; V55-L57 HydrophobicContact CG1-CD1 3.87Å; V55-L57 HydrophobicContact CG1-CG 3.93Å; V55-L57 PolarHBondContact O-N 2.83Å; V55-Q59 PolarHBondContact O-NE2 3.23Å
56	A	62.7	Low	76.5	Confident	66 Å²	66	73.1 Å²	73.1	55%	0.545	37%	0.368	S	S	.	.			trans	-62.5	4.5	-179.4	0	0	0	0	0	115.2	T54	T54-A56 PolarHBondContact O-N 3.37Å
57	L	73.7	Confident	77.6	Confident	38 Å²	38	66.1 Å²	66.1	20%	0.199	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	128.9	-179.2	-80	172.1	0	0	0	111.4	V55 Q59 D162 R164 F195	V55-L57 HydrophobicContact CG1-CB 3.89Å; V55-L57 HydrophobicContact CG1-CD1 3.87Å; V55-L57 HydrophobicContact CG1-CG 3.93Å; V55-L57 PolarHBondContact O-N 2.83Å; L57-Q59 PolarHBondContact O-N 3.28Å; L57-D162 CarbonylContact C-O 3.57Å; L57-D162 WeakPolarHBondContact CA-O 3.23Å; L57-R164 HydrophobicContact CD2-CB 3.96Å; L57-R164 HydrophobicContact CD2-CG 3.53Å; L57-F195 HydrophobicContact CB-CB 4.46Å; L57-F195 HydrophobicContact CB-CD1 4.08Å; L57-F195 HydrophobicContact CB-CG 4.34Å; L57-F195 HydrophobicContact CD1-CD1 4.4Å; L57-F195 HydrophobicContact CD1-CE1 4.24Å; L57-F195 WeakPolarHBondContact O-CB 3.47Å
58	G	69.5	Low	78.4	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.01	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	10.7	177.2	0	0	0	0	0	114.2	K74 D162	G58-K74 PolarHBondContact O-NZ 2.58Å; G58-D162 PolarHBondContact N-O 2.7Å
59	Q	73.7	Confident	79.6	Confident	83 Å²	83	58.2 Å²	58.2	39%	0.388	33%	0.33	S	S	.	.			trans	-82.5	-23.3	-177	-69.9	-166.4	30.7	0	0	114.5	R53 V55 L57 K74	R53-Q59 VanDerWaalsContact C-NE2 3.33Å; R53-Q59 PolarHBondContact O-NE2 2.86Å; V55-Q59 PolarHBondContact O-NE2 3.23Å; L57-Q59 PolarHBondContact O-N 3.28Å; Q59-K74 PolarHBondContact O-NZ 3.08Å
60	G	74.9	Confident	81	Confident	20 Å²	20	61.6 Å²	61.6	21%	0.206	34%	0.343	C	S	.	.	S	Bend	trans	-69.2	173.6	-177.9	0	0	0	0	0	113.3	K74 D162	G60-K74 WeakPolarHBondContact O-CD 3.49Å; G60-D162 WeakPolarHBondContact CA-OD2 3.43Å
61	T	84.4	Confident	82.2	Confident	100 Å²	100	59.9 Å²	59.9	61%	0.613	33%	0.331	S	S	*	.			trans	-110.6	107	-173.2	53	0	0	0	0	108.2	H158	T61-H158 PolarHBondContact O-CD2 3.38Å; T61-H158 PolarHBondContact O-NE2 3.17Å
62	F	89.6	Confident	83.5	Confident	12 Å²	12	57.9 Å²	57.9	5%	0.053	32%	0.318	C	S	.	.			trans	-84	151.4	166.8	68.1	-101	0	0	0	110.5	L64 T73 K74 F77 L149 A159	F62-L64 HydrophobicContact CB-CD1 4.39Å; F62-L64 HydrophobicContact CB-CG 4.39Å; F62-L64 HydrophobicContact CD2-CB 4.36Å; F62-L64 HydrophobicContact CD2-CD1 4.02Å; F62-L64 HydrophobicContact CD2-CG 4.1Å; F62-L64 HydrophobicContact CG-CD1 4.38Å; F62-T73 VanDerWaalsContact CE2-C 3.49Å; F62-T73 VanDerWaalsContact O-CA 3.23Å; F62-T73 WeakPolarHBondContact O-CA 3.19Å; F62-K74 HydrophobicContact CD1-CB 4.05Å; F62-K74 HydrophobicContact CE1-CB 3.82Å; F62-K74 HydrophobicContact CE1-CG 4.29Å; F62-K74 HydrophobicContact CZ-CB 4.24Å; F62-K74 PolarHBondContact O-N 2.78Å; F62-F77 HydrophobicContact CE2-CD2 4.36Å; F62-F77 AromaticContact CE2-CE2 3.97Å; F62-F77 HydrophobicContact CE2-CE2 3.97Å; F62-F77 AromaticContact CZ-CD2 3.77Å; F62-F77 HydrophobicContact CZ-CD2 3.77Å; F62-F77 AromaticContact CZ-CE2 3.75Å; F62-F77 HydrophobicContact CZ-CE2 3.75Å; F62-L149 HydrophobicContact CE2-CD1 3.84Å; F62-L149 HydrophobicContact CZ-CD1 4.2Å; F62-A159 HydrophobicContact CB-CB 3.7Å
63	S	94.6	Very high	84.7	Confident	46 Å²	46	57.7 Å²	57.7	32%	0.322	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	115.7	164.9	-170.5	0	0	0	0	104.9	R71 R72	S63-R71 VanDerWaalsContact C-CZ 3.43Å; S63-R71 VanDerWaalsContact CB-NH1 3.32Å; S63-R71 PolarHBondContact O-NH1 3.41Å; S63-R71 WeakPolarHBondContact OG-CD 3.48Å; S63-R71 PolarHBondContact OG-NH1 3.16Å; S63-R72 CarbonylContact C-O 3.48Å; S63-R72 WeakPolarHBondContact CA-O 3.46Å
64	L	97.1	Very high	86	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	162.1	-174	-68.5	174.8	0	0	0	109.8	F62 R71 R72 I123 L149 T150 E155 V156 A159	F62-L64 HydrophobicContact CB-CD1 4.39Å; F62-L64 HydrophobicContact CB-CG 4.39Å; F62-L64 HydrophobicContact CD2-CB 4.36Å; F62-L64 HydrophobicContact CD2-CD1 4.02Å; F62-L64 HydrophobicContact CD2-CG 4.1Å; F62-L64 HydrophobicContact CG-CD1 4.38Å; L64-R71 VanDerWaalsContact C-NE 3.33Å; L64-R71 VanDerWaalsContact N-CZ 3.35Å; L64-R71 CarbonylContact O-C 3.54Å; L64-R71 WeakPolarHBondContact O-CA 3.35Å; L64-R71 PolarHBondContact O-NE 3.04Å; L64-R72 PolarHBondContact N-O 2.87Å; L64-R72 PolarHBondContact O-N 2.89Å; L64-I123 HydrophobicContact CD1-CD1 4.18Å; L64-I123 HydrophobicContact CD1-CG1 4.2Å; L64-I123 HydrophobicContact CD1-CG2 3.85Å; L64-L149 HydrophobicContact CB-CB 4.09Å; L64-L149 HydrophobicContact CD1-CB 3.91Å; L64-L149 HydrophobicContact CD1-CD1 4.27Å; L64-T150 CarbonylContact C-O 3.36Å; L64-T150 WeakPolarHBondContact CB-O 3.46Å; L64-E155 HydrophobicContact CD2-CB 3.82Å; L64-V156 HydrophobicContact CD2-CG2 4.12Å; L64-A159 HydrophobicContact CD1-CB 4.01Å
65	L	98.1	Very high	87.6	Confident	58 Å²	58	55 Å²	55	30%	0.304	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	134.6	168.4	-64.6	174.3	0	0	0	108.5	H70 R71 V132 L149 T150	L65-H70 CarbonylContact C-O 3.52Å; L65-H70 WeakPolarHBondContact CA-O 3.37Å; L65-R71 VanDerWaalsContact N-NH2 3.11Å; L65-V132 HydrophobicContact CB-CG2 4.27Å; L65-V132 HydrophobicContact CD1-CG2 4.3Å; L65-L149 CarbonylContact O-C 3.57Å; L65-L149 VanDerWaalsContact O-CA 3.24Å; L65-L149 WeakPolarHBondContact O-CA 3.47Å; L65-T150 HydrophobicContact CB-CG2 4.47Å; L65-T150 PolarHBondContact N-O 2.82Å; L65-T150 PolarHBondContact O-N 3.22Å
66	D	97.9	Very high	89	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	165.4	165.2	68.6	28.6	0	0	0	111.8	T68 G69 H70 R72 V147 G148 L149	D66-T68 VanDerWaalsContact CG-OG1 3.3Å; D66-T68 PolarHBondContact O-N 3.4Å; D66-T68 VanDerWaalsContact OD1-CA 3.3Å; D66-T68 WeakPolarHBondContact OD1-CA 3.28Å; D66-T68 WeakPolarHBondContact OD1-CB 3.4Å; D66-T68 PolarHBondContact OD1-N 2.85Å; D66-T68 PolarHBondContact OD1-OG1 3.21Å; D66-T68 PolarHBondContact OD2-OG1 3.12Å; D66-G69 PolarHBondContact O-N 2.96Å; D66-G69 PolarHBondContact OD1-N 3.09Å; D66-G69 VanDerWaalsContact OD1-N 3.15Å; D66-H70 PolarHBondContact N-O 3.05Å; D66-H70 PolarHBondContact OD1-N 3.36Å; D66-H70 IonicContact OD1-ND1 3.95Å; D66-R72 HydrophobicContact CB-CG 3.84Å; D66-R72 IonicContact OD2-CZ 3.51Å; D66-R72 IonicContact OD2-NE 2.82Å; D66-R72 PolarHBondContact OD2-NE 2.99Å; D66-R72 IonicContact OD2-NH2 3.29Å; D66-R72 PolarHBondContact OD2-NH2 3.2Å; D66-V147 HydrophobicContact CB-CG1 4.03Å; D66-G148 CarbonylContact C-O 3.56Å; D66-G148 VanDerWaalsContact CA-O 3.26Å; D66-G148 WeakPolarHBondContact CA-O 3.39Å; D66-L149 HydrophobicContact CB-CD2 3.78Å
67	H	97.2	Very high	90.5	Very high	36 Å²	36	53.5 Å²	53.5	17%	0.167	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-0.1	175.2	69.1	-80.1	0	0	0	114.6	V132 L135 A136 V139 G148	H67-V132 WeakPolarHBondContact O-CG1 3.07Å; H67-L135 HydrophobicContact CB-CB 3.95Å; H67-A136 HydrophobicContact CB-CB 4.23Å; H67-A136 WeakPolarHBondContact O-CB 3.23Å; H67-V139 HydrophobicContact CB-CG2 4.36Å; H67-G148 PolarHBondContact N-O 2.72Å; H67-G148 PolarHBondContact ND1-N 2.86Å; H67-G148 PolarHBondContact ND1-O 3.33Å
68	T	97.3	Very high	91.4	Very high	78 Å²	78	55.7 Å²	55.7	48%	0.479	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	3.6	170.9	70.2	0	0	0	0	112.6	D66 H70	D66-T68 VanDerWaalsContact CG-OG1 3.3Å; D66-T68 PolarHBondContact O-N 3.4Å; D66-T68 VanDerWaalsContact OD1-CA 3.3Å; D66-T68 WeakPolarHBondContact OD1-CA 3.28Å; D66-T68 WeakPolarHBondContact OD1-CB 3.4Å; D66-T68 PolarHBondContact OD1-N 2.85Å; D66-T68 PolarHBondContact OD1-OG1 3.21Å; D66-T68 PolarHBondContact OD2-OG1 3.12Å; T68-H70 PolarHBondContact OG1-ND1 3.1Å
69	G	96.4	Very high	92.6	Very high	41 Å²	41	58.7 Å²	58.7	42%	0.423	33%	0.326	S	S	.	.	S	Bend	trans	86	4.4	179.7	0	0	0	0	0	114.6	D66	D66-G69 PolarHBondContact O-N 2.96Å; D66-G69 PolarHBondContact OD1-N 3.09Å; D66-G69 VanDerWaalsContact OD1-N 3.15Å
70	H	97.6	Very high	93.6	Very high	110 Å²	110	61.1 Å²	61.1	51%	0.509	33%	0.331	S	S	.	.			trans	-88.8	139.8	180	-62.5	92.1	0	0	0	111.3	L65 D66 T68 R72	L65-H70 CarbonylContact C-O 3.52Å; L65-H70 WeakPolarHBondContact CA-O 3.37Å; D66-H70 PolarHBondContact N-O 3.05Å; D66-H70 PolarHBondContact OD1-N 3.36Å; D66-H70 IonicContact OD1-ND1 3.95Å; T68-H70 PolarHBondContact OG1-ND1 3.1Å; H70-R72 PolarHBondContact O-N 3Å
71	R	97.4	Very high	94.6	Very high	90 Å²	90	60.7 Å²	60.7	34%	0.34	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	128.2	172	-166.6	97.8	-80.9	-131.8	19.7	110	S63 L64 L65 E155	S63-R71 VanDerWaalsContact C-CZ 3.43Å; S63-R71 VanDerWaalsContact CB-NH1 3.32Å; S63-R71 PolarHBondContact O-NH1 3.41Å; S63-R71 WeakPolarHBondContact OG-CD 3.48Å; S63-R71 PolarHBondContact OG-NH1 3.16Å; L64-R71 VanDerWaalsContact C-NE 3.33Å; L64-R71 VanDerWaalsContact N-CZ 3.35Å; L64-R71 CarbonylContact O-C 3.54Å; L64-R71 WeakPolarHBondContact O-CA 3.35Å; L64-R71 PolarHBondContact O-NE 3.04Å; L65-R71 VanDerWaalsContact N-NH2 3.11Å; R71-E155 IonicContact CZ-OE1 2.75Å; R71-E155 IonicContact CZ-OE2 2.82Å; R71-E155 IonicContact NH1-OE1 3.31Å; R71-E155 PolarHBondContact NH1-OE1 2.65Å; R71-E155 IonicContact NH1-OE2 2.66Å; R71-E155 IonicContact NH2-OE1 2.69Å; R71-E155 PolarHBondContact NH2-OE1 2.81Å; R71-E155 IonicContact NH2-OE2 3.77Å; R71-E155 PolarHBondContact NH2-OE2 3.17Å
72	R	96.5	Very high	95.3	Very high	85 Å²	85	56.2 Å²	56.2	32%	0.321	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.3	173.8	-61.1	-59.9	-179.3	-178.4	-2.5	110.2	S63 L64 D66 H70 F77 L149	S63-R72 CarbonylContact C-O 3.48Å; S63-R72 WeakPolarHBondContact CA-O 3.46Å; L64-R72 PolarHBondContact N-O 2.87Å; L64-R72 PolarHBondContact O-N 2.89Å; D66-R72 HydrophobicContact CB-CG 3.84Å; D66-R72 IonicContact OD2-CZ 3.51Å; D66-R72 IonicContact OD2-NE 2.82Å; D66-R72 PolarHBondContact OD2-NE 2.99Å; D66-R72 IonicContact OD2-NH2 3.29Å; D66-R72 PolarHBondContact OD2-NH2 3.2Å; H70-R72 PolarHBondContact O-N 3Å; R72-F77 HydrophobicContact CB-CE2 4.22Å; R72-F77 HydrophobicContact CB-CZ 4.39Å; R72-L149 HydrophobicContact CB-CD2 4Å; R72-L149 HydrophobicContact CG-CD2 4.12Å
73	T	94.4	Very high	95.7	Very high	41 Å²	41	55.7 Å²	55.7	25%	0.252	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	169	175.8	68.5	0	0	0	0	109.6	F62 Q75 D76 F77	F62-T73 VanDerWaalsContact CE2-C 3.49Å; F62-T73 VanDerWaalsContact O-CA 3.23Å; F62-T73 WeakPolarHBondContact O-CA 3.19Å; T73-Q75 PolarHBondContact O-N 2.9Å; T73-Q75 VanDerWaalsContact O-N 3.16Å; T73-Q75 PolarHBondContact OG1-N 2.89Å; T73-D76 WeakPolarHBondContact CA-OD2 3.33Å; T73-D76 PolarHBondContact N-OD2 3.29Å; T73-D76 WeakPolarHBondContact O-CB 3.41Å; T73-D76 PolarHBondContact O-N 3.41Å; T73-D76 PolarHBondContact OG1-OD2 3.31Å; T73-F77 VanDerWaalsContact O-CD2 3.28Å; T73-F77 WeakPolarHBondContact O-CD2 3.38Å
74	K	89.8	Confident	95.7	Very high	38 Å²	38	53.6 Å²	53.6	17%	0.165	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-54.6	-31.8	170.7	-176.2	176.3	171	-173.9	0	112.9	G58 Q59 G60 F62 D76 F77 G193	G58-K74 PolarHBondContact O-NZ 2.58Å; Q59-K74 PolarHBondContact O-NZ 3.08Å; G60-K74 WeakPolarHBondContact O-CD 3.49Å; F62-K74 HydrophobicContact CD1-CB 4.05Å; F62-K74 HydrophobicContact CE1-CB 3.82Å; F62-K74 HydrophobicContact CE1-CG 4.29Å; F62-K74 HydrophobicContact CZ-CB 4.24Å; F62-K74 PolarHBondContact O-N 2.78Å; K74-D76 VanDerWaalsContact C-N 3.28Å; K74-D76 PolarHBondContact O-N 2.97Å; K74-F77 PolarHBondContact O-N 3.46Å; K74-G193 WeakPolarHBondContact CE-O 3.35Å; K74-G193 PolarHBondContact NZ-O 2.94Å
75	Q	92.1	Very high	95.7	Very high	147 Å²	147	53.6 Å²	53.6	69%	0.687	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-65.8	-31.3	-178.1	-64	-178.3	0	0	0	112.7	T73 F77 L78	T73-Q75 PolarHBondContact O-N 2.9Å; T73-Q75 VanDerWaalsContact O-N 3.16Å; T73-Q75 PolarHBondContact OG1-N 2.89Å; Q75-F77 PolarHBondContact O-N 3.29Å; Q75-F77 VanDerWaalsContact O-N 3.12Å; Q75-L78 HydrophobicContact CB-CD1 4.44Å; Q75-L78 WeakPolarHBondContact O-CB 3.38Å; Q75-L78 PolarHBondContact O-N 3.04Å; Q75-L78 VanDerWaalsContact O-N 3.16Å
76	D	94.8	Very high	95.6	Very high	71 Å²	71	50.9 Å²	50.9	38%	0.38	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-63.8	-18.1	178.5	-64	-79.6	0	0	0	113.1	T73 K74	T73-D76 WeakPolarHBondContact CA-OD2 3.33Å; T73-D76 PolarHBondContact N-OD2 3.29Å; T73-D76 WeakPolarHBondContact O-CB 3.41Å; T73-D76 PolarHBondContact O-N 3.41Å; T73-D76 PolarHBondContact OG1-OD2 3.31Å; K74-D76 VanDerWaalsContact C-N 3.28Å; K74-D76 PolarHBondContact O-N 2.97Å
77	F	94.3	Very high	95.4	Very high	24 Å²	24	50.7 Å²	50.7	11%	0.105	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-104.6	0.1	-178.8	-57.4	-73	0	0	0	113.7	F62 R72 T73 K74 Q75 R80 V82 Q119 L121 L149	F62-F77 HydrophobicContact CE2-CD2 4.36Å; F62-F77 AromaticContact CE2-CE2 3.97Å; F62-F77 HydrophobicContact CE2-CE2 3.97Å; F62-F77 AromaticContact CZ-CD2 3.77Å; F62-F77 HydrophobicContact CZ-CD2 3.77Å; F62-F77 AromaticContact CZ-CE2 3.75Å; F62-F77 HydrophobicContact CZ-CE2 3.75Å; R72-F77 HydrophobicContact CB-CE2 4.22Å; R72-F77 HydrophobicContact CB-CZ 4.39Å; T73-F77 VanDerWaalsContact O-CD2 3.28Å; T73-F77 WeakPolarHBondContact O-CD2 3.38Å; K74-F77 PolarHBondContact O-N 3.46Å; Q75-F77 PolarHBondContact O-N 3.29Å; Q75-F77 VanDerWaalsContact O-N 3.12Å; F77-R80 WeakPolarHBondContact O-CB 3.02Å; F77-R80 PolarHBondContact O-N 2.96Å; F77-V82 HydrophobicContact CB-CG2 3.95Å; F77-V82 HydrophobicContact CG-CG2 4.5Å; F77-Q119 HydrophobicContact CD1-CG 4.11Å; F77-Q119 HydrophobicContact CE1-CG 4.29Å; F77-L121 HydrophobicContact CD1-CD1 3.88Å; F77-L121 HydrophobicContact CD1-CD2 4.12Å; F77-L121 HydrophobicContact CD1-CG 4.44Å; F77-L121 HydrophobicContact CD2-CD1 4.1Å; F77-L121 HydrophobicContact CE1-CD1 3.87Å; F77-L121 HydrophobicContact CE1-CD2 3.38Å; F77-L121 HydrophobicContact CE1-CG 4.16Å; F77-L121 HydrophobicContact CE2-CD1 4.08Å; F77-L121 HydrophobicContact CE2-CD2 4.42Å; F77-L121 HydrophobicContact CG-CD1 3.99Å; F77-L121 HydrophobicContact CZ-CD1 3.96Å; F77-L121 HydrophobicContact CZ-CD2 3.55Å; F77-L121 HydrophobicContact CZ-CG 4.43Å; F77-L149 HydrophobicContact CE2-CD1 4.31Å; F77-L149 HydrophobicContact CZ-CD1 4.41Å
78	L	92.8	Very high	95.2	Very high	85 Å²	85	49.3 Å²	49.3	45%	0.445	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	149.6	172.8	-66.5	176.8	0	0	0	111	Q75 R80 P191 D192	Q75-L78 HydrophobicContact CB-CD1 4.44Å; Q75-L78 WeakPolarHBondContact O-CB 3.38Å; Q75-L78 PolarHBondContact O-N 3.04Å; Q75-L78 VanDerWaalsContact O-N 3.16Å; L78-R80 PolarHBondContact O-N 2.9Å; L78-P191 WeakPolarHBondContact CA-O 3.15Å; L78-D192 VanDerWaalsContact CD2-C 3.5Å
79	G	93.8	Very high	94.9	Very high	64 Å²	64	46.8 Å²	46.8	66%	0.66	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.2	-2.2	-172.7	0	0	0	0	0	114.2	P191	G79-P191 PolarHBondContact N-O 2.88Å
80	R	95.2	Very high	94.4	Very high	133 Å²	133	49.6 Å²	49.6	50%	0.502	24%	0.243	S	C	.	.	S	Bend	trans	-116.7	142.9	179.2	-57	177.9	-176.1	-107.7	-4.2	110.6	F77 L78 Q119 P191	F77-R80 WeakPolarHBondContact O-CB 3.02Å; F77-R80 PolarHBondContact O-N 2.96Å; L78-R80 PolarHBondContact O-N 2.9Å; R80-Q119 HydrophobicContact CB-CB 4.49Å; R80-P191 WeakPolarHBondContact O-CA 3.4Å
81	W	96.7	Very high	93.7	Very high	11 Å²	11	45 Å²	45	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	134.1	161.8	-71.1	85.4	0	0	0	108.4	P116 L118 Q119 L188 P191 L196 H215 I216 H219	W81-P116 VanDerWaalsContact CD1-CG 3.45Å; W81-P116 HydrophobicContact CG-CG 4.45Å; W81-L118 HydrophobicContact CB-CD1 3.65Å; W81-Q119 WeakPolarHBondContact O-CB 3.25Å; W81-Q119 PolarHBondContact O-N 3.04Å; W81-L188 HydrophobicContact CE3-CD1 3.98Å; W81-L188 HydrophobicContact CE3-CG 4.41Å; W81-L188 HydrophobicContact CZ3-CD1 4.41Å; W81-L188 HydrophobicContact CZ3-CD2 4.2Å; W81-L188 HydrophobicContact CZ3-CG 4.4Å; W81-P191 HydrophobicContact CD2-CG 4.14Å; W81-P191 VanDerWaalsContact CE2-CD 3.48Å; W81-P191 HydrophobicContact CG-CG 4.1Å; W81-P191 HydrophobicContact CZ2-CG 4.27Å; W81-L196 HydrophobicContact CE3-CD1 4.47Å; W81-L196 HydrophobicContact CH2-CD1 3.78Å; W81-L196 HydrophobicContact CZ3-CD1 3.43Å; W81-L196 VanDerWaalsContact CZ3-CD1 3.43Å; W81-H215 HydrophobicContact CH2-CB 4.03Å; W81-H215 HydrophobicContact CZ3-CB 3.9Å; W81-I216 HydrophobicContact CD2-CG1 3.76Å; W81-I216 HydrophobicContact CE3-CG1 4.13Å; W81-I216 HydrophobicContact CG-CG1 4.25Å; W81-I216 HydrophobicContact CH2-CG1 4.16Å; W81-I216 HydrophobicContact CZ2-CB 4.24Å; W81-I216 HydrophobicContact CZ2-CG1 3.82Å; W81-I216 HydrophobicContact CZ3-CG1 4.29Å; W81-H219 HydrophobicContact CH2-CB 3.76Å; W81-H219 AromaticContact CH2-CG 3.82Å; W81-H219 AromaticContact CH2-ND1 3.99Å; W81-H219 HydrophobicContact CZ2-CB 3.47Å; W81-H219 VanDerWaalsContact CZ2-CB 3.47Å; W81-H219 AromaticContact CZ2-CD2 3.75Å; W81-H219 AromaticContact CZ2-CG 3.46Å; W81-H219 VanDerWaalsContact CZ2-CG 3.46Å
82	V	97.4	Very high	92.8	Very high	7 Å²	7	44.9 Å²	44.9	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.4	-178.1	166.3	0	0	0	0	109.4	F77 L84 Q119 L121 V189	F77-V82 HydrophobicContact CB-CG2 3.95Å; F77-V82 HydrophobicContact CG-CG2 4.5Å; V82-L84 HydrophobicContact CG1-CB 4.1Å; V82-Q119 WeakPolarHBondContact CA-O 3.43Å; V82-Q119 HydrophobicContact CG2-CB 4.11Å; V82-Q119 HydrophobicContact CG2-CG 4.45Å; V82-L121 HydrophobicContact CG1-CB 4.31Å; V82-L121 HydrophobicContact CG1-CD1 3.46Å; V82-L121 VanDerWaalsContact CG1-CD1 3.46Å; V82-L121 HydrophobicContact CG1-CG 3.92Å; V82-L121 HydrophobicContact CG2-CD1 4.26Å; V82-V189 HydrophobicContact CB-CB 4.09Å; V82-V189 HydrophobicContact CG1-CB 4.44Å; V82-V189 PolarHBondContact N-O 2.99Å; V82-V189 PolarHBondContact O-N 3.32Å
83	L	97.7	Very high	92.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	109.2	166.6	-172.8	62.8	0	0	0	107.7	L102 V105 L118 Q119 P120 L121 L186 Y187 Y199 I212	L83-L102 HydrophobicContact CD2-CB 4.45Å; L83-L102 HydrophobicContact CD2-CD1 4.39Å; L83-L102 HydrophobicContact CD2-CG 4.01Å; L83-L102 HydrophobicContact CG-CD1 4.2Å; L83-L102 HydrophobicContact CG-CG 4.36Å; L83-V105 HydrophobicContact CD2-CB 4.35Å; L83-V105 HydrophobicContact CD2-CG1 3.94Å; L83-L118 HydrophobicContact CB-CD1 4.08Å; L83-L118 HydrophobicContact CB-CD2 3.86Å; L83-L118 HydrophobicContact CB-CG 4.02Å; L83-L118 HydrophobicContact CD2-CD2 4.04Å; L83-Q119 PolarHBondContact N-O 3.04Å; L83-P120 WeakPolarHBondContact O-CA 3.37Å; L83-L121 PolarHBondContact O-N 2.69Å; L83-L186 HydrophobicContact CD1-CB 3.99Å; L83-Y187 WeakPolarHBondContact CA-O 3.47Å; L83-Y199 HydrophobicContact CD1-CD2 4.23Å; L83-Y199 HydrophobicContact CD1-CE2 4.22Å; L83-I212 HydrophobicContact CD1-CD1 4.24Å; L83-I212 HydrophobicContact CD2-CD1 4.19Å
84	L	95.9	Very high	91.7	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.2	-170.2	171.2	64.8	0	0	0	110.7	V82 F86 L121 I123 F163 L186 Y187	V82-L84 HydrophobicContact CG1-CB 4.1Å; L84-F86 HydrophobicContact CD1-CE2 4.45Å; L84-F86 HydrophobicContact CD2-CD2 4.37Å; L84-F86 HydrophobicContact CD2-CE2 3.52Å; L84-F86 HydrophobicContact CD2-CZ 3.95Å; L84-F86 HydrophobicContact CG-CD2 4.28Å; L84-F86 HydrophobicContact CG-CE2 3.9Å; L84-L121 CarbonylContact C-O 3.45Å; L84-L121 WeakPolarHBondContact CA-O 3.47Å; L84-L121 HydrophobicContact CB-CB 4.46Å; L84-L121 HydrophobicContact CD1-CB 3.67Å; L84-I123 HydrophobicContact CD1-CB 4.36Å; L84-I123 HydrophobicContact CD1-CD1 3.54Å; L84-I123 HydrophobicContact CD1-CG1 3.64Å; L84-I123 HydrophobicContact CD2-CD1 4.13Å; L84-I123 HydrophobicContact CG-CD1 4.45Å; L84-F163 HydrophobicContact CD2-CD1 4.27Å; L84-F163 HydrophobicContact CD2-CD2 4.23Å; L84-F163 HydrophobicContact CD2-CE1 3.9Å; L84-F163 HydrophobicContact CD2-CE2 3.86Å; L84-F163 HydrophobicContact CD2-CG 4.42Å; L84-F163 HydrophobicContact CD2-CZ 3.67Å; L84-L186 CarbonylContact O-C 3.58Å; L84-L186 WeakPolarHBondContact O-CA 3.17Å; L84-Y187 PolarHBondContact N-O 2.85Å; L84-Y187 PolarHBondContact O-N 2.83Å
85	Y	96.4	Very high	91.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	141	171.7	-178.5	-124	0	0	0	110.6	C95 E98 L99 L121 F122 I123 H182 V184 L185 L186	Y85-C95 HydrophobicContact CE1-CB 4.1Å; Y85-C95 PolarHBondContact OH-SG 3.26Å; Y85-C95 VanDerWaalsContact OH-SG 3.41Å; Y85-E98 HydrophobicContact CD2-CB 4.44Å; Y85-E98 HydrophobicContact CE1-CB 4.09Å; Y85-E98 HydrophobicContact CE2-CB 3.93Å; Y85-E98 HydrophobicContact CE2-CG 4.14Å; Y85-L99 HydrophobicContact CD1-CD2 3.86Å; Y85-L99 HydrophobicContact CD1-CG 4.1Å; Y85-L99 HydrophobicContact CE1-CG 4.38Å; Y85-L121 PolarHBondContact N-O 3.31Å; Y85-F122 AromaticContact CD1-CD2 3.78Å; Y85-F122 HydrophobicContact CD1-CD2 3.78Å; Y85-F122 AromaticContact CD1-CE2 3.96Å; Y85-F122 HydrophobicContact CD1-CE2 3.96Å; Y85-F122 HydrophobicContact CE1-CD2 4.46Å; Y85-F122 HydrophobicContact CE1-CE2 4.2Å; Y85-F122 CarbonylContact O-C 3.56Å; Y85-F122 WeakPolarHBondContact O-CA 3.24Å; Y85-I123 PolarHBondContact O-N 3.4Å; Y85-H182 PolarHBondContact OH-CE1 3.14Å; Y85-V184 HydrophobicContact CE2-CG1 4.19Å; Y85-L185 WeakPolarHBondContact CD2-O 3.26Å; Y85-L186 HydrophobicContact CD2-CD2 3.76Å; Y85-L186 HydrophobicContact CG-CD2 3.94Å
86	F	95.3	Very high	91.8	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.2	170.9	-71.4	-96.4	0	0	0	108.9	L84 I123 V125 F163 V165 H182 Y187	L84-F86 HydrophobicContact CD1-CE2 4.45Å; L84-F86 HydrophobicContact CD2-CD2 4.37Å; L84-F86 HydrophobicContact CD2-CE2 3.52Å; L84-F86 HydrophobicContact CD2-CZ 3.95Å; L84-F86 HydrophobicContact CG-CD2 4.28Å; L84-F86 HydrophobicContact CG-CE2 3.9Å; F86-I123 WeakPolarHBondContact CA-O 3.37Å; F86-I123 HydrophobicContact CD1-CB 3.73Å; F86-I123 HydrophobicContact CD1-CG2 3.76Å; F86-I123 HydrophobicContact CE1-CB 3.73Å; F86-I123 HydrophobicContact CE1-CD1 3.84Å; F86-I123 HydrophobicContact CE1-CG1 4.36Å; F86-I123 HydrophobicContact CE1-CG2 3.6Å; F86-I123 HydrophobicContact CG-CB 4.45Å; F86-I123 HydrophobicContact CZ-CB 4.44Å; F86-I123 HydrophobicContact CZ-CD1 3.83Å; F86-V125 HydrophobicContact CB-CG1 3.89Å; F86-V125 HydrophobicContact CD1-CG1 4.26Å; F86-F163 HydrophobicContact CE2-CB 3.76Å; F86-F163 HydrophobicContact CE2-CD1 4.5Å; F86-F163 AromaticContact CE2-CD2 3.89Å; F86-F163 HydrophobicContact CE2-CD2 3.89Å; F86-F163 AromaticContact CE2-CG 3.8Å; F86-F163 HydrophobicContact CE2-CG 3.8Å; F86-F163 HydrophobicContact CZ-CB 4.05Å; F86-F163 AromaticContact CZ-CD2 3.63Å; F86-F163 HydrophobicContact CZ-CD2 3.63Å; F86-F163 HydrophobicContact CZ-CE2 4.36Å; F86-F163 HydrophobicContact CZ-CG 4Å; F86-V165 HydrophobicContact CB-CG1 3.99Å; F86-V165 HydrophobicContact CB-CG2 4.16Å; F86-V165 HydrophobicContact CD1-CG1 4.32Å; F86-V165 HydrophobicContact CD1-CG2 3.95Å; F86-V165 HydrophobicContact CD2-CG2 3.4Å; F86-V165 VanDerWaalsContact CD2-CG2 3.4Å; F86-V165 HydrophobicContact CE1-CG2 4.12Å; F86-V165 HydrophobicContact CE2-CG2 3.59Å; F86-V165 HydrophobicContact CG-CB 4.42Å; F86-V165 HydrophobicContact CG-CG1 4.13Å; F86-V165 HydrophobicContact CG-CG2 3.58Å; F86-V165 HydrophobicContact CZ-CG2 3.95Å; F86-H182 PolarHBondContact O-CE1 3.41Å; F86-H182 PolarHBondContact O-ND1 3.45Å; F86-H182 VanDerWaalsContact O-ND1 3.08Å; F86-Y187 HydrophobicContact CD2-CD2 4.1Å; F86-Y187 AromaticContact CD2-CE2 3.77Å; F86-Y187 HydrophobicContact CD2-CE2 3.77Å; F86-Y187 HydrophobicContact CE2-CD2 4.31Å; F86-Y187 HydrophobicContact CE2-CE2 4.2Å
87	G	93.7	Very high	91.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	-161.5	179.4	0	0	0	0	0	111.3	F122 I123 T124 V125 H182	G87-F122 VanDerWaalsContact C-CZ 3.49Å; G87-I123 PolarHBondContact N-O 3.16Å; G87-T124 CarbonylContact O-C 3.49Å; G87-T124 WeakPolarHBondContact O-CA 3.39Å; G87-V125 PolarHBondContact O-N 3.37Å; G87-H182 VanDerWaalsContact CA-CE1 3.47Å; G87-H182 WeakPolarHBondContact CA-CE1 3.16Å
88	F	93.2	Very high	91.9	Very high	7 Å²	7	39.4 Å²	39.4	3%	0.031	22%	0.219	C	C	.	.			trans	-147.9	153.3	-179.8	62.6	-75.2	0	0	0	110.6	H90 C91 V125 D126 D130 V180 H182	F88-H90 VanDerWaalsContact C-N 3.28Å; F88-H90 HydrophobicContact CD2-CB 3.95Å; F88-H90 HydrophobicContact CE2-CB 4.11Å; F88-H90 PolarHBondContact O-N 3.41Å; F88-C91 HydrophobicContact CD1-CB 4.12Å; F88-C91 HydrophobicContact CD2-CB 4.2Å; F88-C91 HydrophobicContact CE1-CB 3.67Å; F88-C91 HydrophobicContact CE2-CB 3.78Å; F88-C91 VanDerWaalsContact CE2-N 3.25Å; F88-C91 HydrophobicContact CG-CB 4.36Å; F88-C91 HydrophobicContact CZ-CB 3.48Å; F88-C91 VanDerWaalsContact CZ-CB 3.48Å; F88-C91 PolarHBondContact O-N 3.46Å; F88-V125 HydrophobicContact CB-CG2 4.17Å; F88-V125 HydrophobicContact CD1-CG2 4.07Å; F88-D126 HydrophobicContact CB-CB 3.67Å; F88-D126 HydrophobicContact CG-CB 4.39Å; F88-D130 WeakPolarHBondContact CA-OD2 3.34Å; F88-D130 WeakPolarHBondContact CB-OD2 3.47Å; F88-V180 HydrophobicContact CD1-CB 4.06Å; F88-V180 HydrophobicContact CE1-CB 3.89Å; F88-V180 WeakPolarHBondContact CE1-O 3.28Å; F88-V180 HydrophobicContact CZ-CB 4.18Å; F88-H182 AromaticContact CD1-CD2 3.77Å; F88-H182 AromaticContact CD1-NE2 3.84Å; F88-H182 AromaticContact CE1-CD2 3.64Å; F88-H182 AromaticContact CE1-NE2 3.78Å
89	T	91.2	Very high	92	Very high	24 Å²	24	35.3 Å²	35.3	15%	0.147	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-24.6	-170.8	68	0	0	0	0	113.6	C91 D130 L135 Y138	T89-C91 VanDerWaalsContact C-N 3.3Å; T89-C91 PolarHBondContact O-N 3.44Å; T89-D130 WeakPolarHBondContact CB-OD1 3.24Å; T89-D130 HydrophobicContact CG2-CB 4.35Å; T89-D130 WeakPolarHBondContact CG2-OD1 3.5Å; T89-D130 PolarHBondContact N-OD1 3.28Å; T89-D130 PolarHBondContact N-OD2 3.05Å; T89-D130 PolarHBondContact OG1-OD1 3.48Å; T89-L135 HydrophobicContact CG2-CD2 3.67Å; T89-Y138 HydrophobicContact CG2-CD1 3.66Å; T89-Y138 HydrophobicContact CG2-CD2 4.24Å; T89-Y138 HydrophobicContact CG2-CE1 4.25Å; T89-Y138 HydrophobicContact CG2-CG 3.64Å
90	H	86.3	Confident	92.2	Very high	100 Å²	100	36.2 Å²	36.2	46%	0.463	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	12.2	-178.2	-67.3	73.9	0	0	0	113.6	F88 D130	F88-H90 VanDerWaalsContact C-N 3.28Å; F88-H90 HydrophobicContact CD2-CB 3.95Å; F88-H90 HydrophobicContact CE2-CB 4.11Å; F88-H90 PolarHBondContact O-N 3.41Å; H90-D130 IonicContact ND1-OD1 3.64Å
91	C	83.4	Confident	92.3	Very high	14 Å²	14	31.3 Å²	31.3	10%	0.095	17%	0.169	C	C	.	.			trans	-78	122	176.8	-173.4	0	0	0	0	109.9	F88 T89 D93 C95 P96	F88-C91 HydrophobicContact CD1-CB 4.12Å; F88-C91 HydrophobicContact CD2-CB 4.2Å; F88-C91 HydrophobicContact CE1-CB 3.67Å; F88-C91 HydrophobicContact CE2-CB 3.78Å; F88-C91 VanDerWaalsContact CE2-N 3.25Å; F88-C91 HydrophobicContact CG-CB 4.36Å; F88-C91 HydrophobicContact CZ-CB 3.48Å; F88-C91 VanDerWaalsContact CZ-CB 3.48Å; F88-C91 PolarHBondContact O-N 3.46Å; T89-C91 VanDerWaalsContact C-N 3.3Å; T89-C91 PolarHBondContact O-N 3.44Å; C91-D93 PolarHBondContact O-N 2.76Å; C91-C95 HydrophobicContact CB-CB 3.62Å; C91-C95 WeakPolarHBondContact CB-SG 3.47Å; C91-C95 PolarHBondContact SG-N 3.12Å; C91-C95 VanDerWaalsContact SG-SG 3.62Å; C91-P96 WeakPolarHBondContact O-CD 3.27Å
92	P	78.6	Confident	92.3	Very high	87 Å²	87	30.8 Å²	30.8	57%	0.565	17%	0.168	S	C	*	.	S	Bend	trans	-68.7	-37.6	-169.9	24.3	-33.4	0	0	0	113.5
93	D	80.3	Confident	92.4	Very high	113 Å²	113	31.2 Å²	31.2	60%	0.604	17%	0.17	S	C	*	.	S	Bend	trans	-128.4	-48.7	-169.7	-56	-42.4	0	0	0	113.3	C91 P96 D97	C91-D93 PolarHBondContact O-N 2.76Å; D93-P96 WeakPolarHBondContact O-CD 3.48Å; D93-D97 PolarHBondContact O-N 3.45Å
94	I	87.8	Confident	92.4	Very high	55 Å²	55	34.5 Å²	34.5	28%	0.282	19%	0.191	S	C	.	.	H	α-helix	trans	-75.1	-44.5	-164.7	-61	178.5	0	0	0	113	D97 E98 V184	I94-D97 PolarHBondContact O-N 3.16Å; I94-E98 HydrophobicContact CG2-CG 4.42Å; I94-E98 WeakPolarHBondContact O-CG 3.32Å; I94-E98 PolarHBondContact O-N 3.04Å; I94-E98 VanDerWaalsContact O-N 3.14Å; I94-V184 HydrophobicContact CG2-CB 4.3Å; I94-V184 HydrophobicContact CG2-CG1 3.54Å; I94-V184 HydrophobicContact CG2-CG2 3.76Å
95	C	90.3	Very high	92.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66	-44.6	-178.4	-64.3	0	0	0	0	112.7	Y85 C91 D97 E98 L99 H182	Y85-C95 HydrophobicContact CE1-CB 4.1Å; Y85-C95 PolarHBondContact OH-SG 3.26Å; Y85-C95 VanDerWaalsContact OH-SG 3.41Å; C91-C95 HydrophobicContact CB-CB 3.62Å; C91-C95 WeakPolarHBondContact CB-SG 3.47Å; C91-C95 PolarHBondContact SG-N 3.12Å; C91-C95 VanDerWaalsContact SG-SG 3.62Å; C95-D97 PolarHBondContact O-N 3.32Å; C95-E98 PolarHBondContact O-N 3.01Å; C95-L99 WeakPolarHBondContact O-CB 3.32Å; C95-L99 WeakPolarHBondContact O-CG 3.43Å; C95-L99 PolarHBondContact O-N 3.4Å; C95-H182 PolarHBondContact SG-NE2 2.79Å; C95-H182 VanDerWaalsContact SG-NE2 3.41Å
96	P	93.2	Very high	92.5	Very high	32 Å²	32	34.3 Å²	34.3	21%	0.208	19%	0.19	C	C	.	.	H	α-helix	trans	-55.3	-47.7	173.7	-26.6	34.9	0	0	0	112.8	C91 D93 E98 L99 D100 F142	C91-P96 WeakPolarHBondContact O-CD 3.27Å; D93-P96 WeakPolarHBondContact O-CD 3.48Å; P96-E98 PolarHBondContact O-N 3.36Å; P96-L99 PolarHBondContact O-N 3.31Å; P96-D100 PolarHBondContact O-N 2.93Å; P96-F142 HydrophobicContact CB-CE1 4.24Å; P96-F142 HydrophobicContact CB-CZ 4.25Å
97	D	94.6	Very high	92.6	Very high	89 Å²	89	36.4 Å²	36.4	48%	0.476	20%	0.204	S	C	.	.	H	α-helix	trans	-57.6	-44.1	178.5	-80.7	-7.4	0	0	0	112.8	D93 I94 C95 K101 R201	D93-D97 PolarHBondContact O-N 3.45Å; I94-D97 PolarHBondContact O-N 3.16Å; C95-D97 PolarHBondContact O-N 3.32Å; D97-K101 VanDerWaalsContact O-CB 3.32Å; D97-K101 WeakPolarHBondContact O-CB 3.49Å; D97-K101 PolarHBondContact O-N 3.33Å; D97-R201 IonicContact OD2-NH2 3.92Å
98	E	95.6	Very high	92.8	Very high	2 Å²	2	38 Å²	38	1%	0.009	22%	0.217	C	C	.	.	H	α-helix	trans	-72.6	-31.8	179.8	-64.7	-55.7	135.8	0	0	112.5	Y85 I94 C95 P96 K101 L102 V184 R201	Y85-E98 HydrophobicContact CD2-CB 4.44Å; Y85-E98 HydrophobicContact CE1-CB 4.09Å; Y85-E98 HydrophobicContact CE2-CB 3.93Å; Y85-E98 HydrophobicContact CE2-CG 4.14Å; I94-E98 HydrophobicContact CG2-CG 4.42Å; I94-E98 WeakPolarHBondContact O-CG 3.32Å; I94-E98 PolarHBondContact O-N 3.04Å; I94-E98 VanDerWaalsContact O-N 3.14Å; C95-E98 PolarHBondContact O-N 3.01Å; P96-E98 PolarHBondContact O-N 3.36Å; E98-K101 IonicContact OE1-NZ 3.71Å; E98-K101 PolarHBondContact OE1-NZ 3.19Å; E98-K101 WeakPolarHBondContact OE2-CE 3.45Å; E98-K101 IonicContact OE2-NZ 3.53Å; E98-K101 PolarHBondContact OE2-NZ 2.88Å; E98-L102 VanDerWaalsContact O-CB 3.28Å; E98-L102 WeakPolarHBondContact O-CB 3.48Å; E98-L102 PolarHBondContact O-N 2.89Å; E98-V184 HydrophobicContact CG-CG1 3.48Å; E98-V184 VanDerWaalsContact CG-CG1 3.48Å; E98-R201 WeakPolarHBondContact OE1-CG 3.32Å; E98-R201 IonicContact OE1-NE 3.11Å; E98-R201 PolarHBondContact OE1-NE 2.76Å
99	L	96.4	Very high	92.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-71.8	-39	175.2	-74.1	176.1	0	0	0	112.3	Y85 C95 P96 K101 L102 S103 F122 Y138 F142 L146	Y85-L99 HydrophobicContact CD1-CD2 3.86Å; Y85-L99 HydrophobicContact CD1-CG 4.1Å; Y85-L99 HydrophobicContact CE1-CG 4.38Å; C95-L99 WeakPolarHBondContact O-CB 3.32Å; C95-L99 WeakPolarHBondContact O-CG 3.43Å; C95-L99 PolarHBondContact O-N 3.4Å; P96-L99 PolarHBondContact O-N 3.31Å; L99-K101 VanDerWaalsContact C-N 3.34Å; L99-L102 PolarHBondContact O-N 3.23Å; L99-S103 WeakPolarHBondContact O-CB 3.45Å; L99-S103 PolarHBondContact O-N 2.82Å; L99-F122 HydrophobicContact CD1-CD2 4.41Å; L99-F122 HydrophobicContact CD1-CE2 4.48Å; L99-F122 HydrophobicContact CD2-CB 4.35Å; L99-F122 HydrophobicContact CD2-CD2 4.08Å; L99-F122 HydrophobicContact CD2-CG 4.45Å; L99-Y138 HydrophobicContact CD1-CD1 4.19Å; L99-Y138 HydrophobicContact CD1-CE1 3.34Å; L99-F142 HydrophobicContact CB-CB 4.44Å; L99-F142 HydrophobicContact CB-CD1 3.46Å; L99-F142 VanDerWaalsContact CB-CD1 3.46Å; L99-F142 HydrophobicContact CB-CD2 4.23Å; L99-F142 HydrophobicContact CB-CE1 3.63Å; L99-F142 HydrophobicContact CB-CE2 4.38Å; L99-F142 HydrophobicContact CB-CG 3.78Å; L99-F142 HydrophobicContact CB-CZ 4.1Å; L99-F142 HydrophobicContact CD1-CD1 4.45Å; L99-F142 HydrophobicContact CD1-CD2 3.84Å; L99-F142 HydrophobicContact CD1-CE1 4.26Å; L99-F142 HydrophobicContact CD1-CE2 3.62Å; L99-F142 HydrophobicContact CD1-CG 4.25Å; L99-F142 HydrophobicContact CD1-CZ 3.84Å; L99-L146 HydrophobicContact CD2-CD2 4.13Å
100	D	96.9	Very high	93.1	Very high	83 Å²	83	39.4 Å²	39.4	44%	0.444	23%	0.225	S	C	.	.	H	α-helix	trans	-63.1	-42	171.8	-83.9	-18.7	0	0	0	111.6	P96 S103 T104 F142	P96-D100 PolarHBondContact O-N 2.93Å; D100-S103 PolarHBondContact O-N 2.87Å; D100-T104 WeakPolarHBondContact O-CB 3.44Å; D100-T104 PolarHBondContact O-N 3.39Å; D100-T104 PolarHBondContact O-OG1 2.91Å; D100-F142 WeakPolarHBondContact OD1-CD1 3.41Å
101	K	97.2	Very high	93.5	Very high	29 Å²	29	44.5 Å²	44.5	13%	0.126	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-47.8	173.7	-172.2	-171.3	-51.3	174.8	0	111.3	D97 E98 L99 S103 T104 V105 L186 R201 P205 I208	D97-K101 VanDerWaalsContact O-CB 3.32Å; D97-K101 WeakPolarHBondContact O-CB 3.49Å; D97-K101 PolarHBondContact O-N 3.33Å; E98-K101 IonicContact OE1-NZ 3.71Å; E98-K101 PolarHBondContact OE1-NZ 3.19Å; E98-K101 WeakPolarHBondContact OE2-CE 3.45Å; E98-K101 IonicContact OE2-NZ 3.53Å; E98-K101 PolarHBondContact OE2-NZ 2.88Å; L99-K101 VanDerWaalsContact C-N 3.34Å; K101-S103 PolarHBondContact O-N 2.89Å; K101-T104 WeakPolarHBondContact O-CB 3.35Å; K101-T104 PolarHBondContact O-N 2.8Å; K101-V105 VanDerWaalsContact O-CG2 3.32Å; K101-V105 WeakPolarHBondContact O-CG2 3.36Å; K101-V105 PolarHBondContact O-N 3.31Å; K101-L186 HydrophobicContact CD-CD1 4.47Å; K101-R201 PolarHBondContact NZ-O 2.85Å; K101-P205 HydrophobicContact CG-CG 3.97Å; K101-I208 HydrophobicContact CD-CD1 3.9Å; K101-I208 HydrophobicContact CG-CD1 4.29Å
102	L	97.8	Very high	94.1	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-43.4	176.2	167.8	159.7	0	0	0	111.4	L83 E98 L99 T104 V105 V106 P120 L146 L186	L83-L102 HydrophobicContact CD2-CB 4.45Å; L83-L102 HydrophobicContact CD2-CD1 4.39Å; L83-L102 HydrophobicContact CD2-CG 4.01Å; L83-L102 HydrophobicContact CG-CD1 4.2Å; L83-L102 HydrophobicContact CG-CG 4.36Å; E98-L102 VanDerWaalsContact O-CB 3.28Å; E98-L102 WeakPolarHBondContact O-CB 3.48Å; E98-L102 PolarHBondContact O-N 2.89Å; L99-L102 PolarHBondContact O-N 3.23Å; L102-T104 VanDerWaalsContact C-N 3.33Å; L102-T104 PolarHBondContact O-N 3.04Å; L102-V105 PolarHBondContact O-N 3.14Å; L102-V106 HydrophobicContact CD2-CG2 4.32Å; L102-V106 WeakPolarHBondContact O-CG2 3.23Å; L102-V106 PolarHBondContact O-N 3.08Å; L102-P120 HydrophobicContact CD2-CB 3.41Å; L102-P120 VanDerWaalsContact CD2-CB 3.41Å; L102-P120 HydrophobicContact CG-CB 4.29Å; L102-L146 HydrophobicContact CD2-CD1 4.38Å; L102-L186 HydrophobicContact CB-CD1 4.47Å; L102-L186 HydrophobicContact CB-CD2 4.26Å; L102-L186 HydrophobicContact CD1-CD2 4.09Å
103	S	97.8	Very high	94.8	Very high	15 Å²	15	48.3 Å²	48.3	11%	0.105	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-41.7	176.3	-175.2	0	0	0	0	111.8	L99 D100 K101 V106 S107 F142 H143	L99-S103 WeakPolarHBondContact O-CB 3.45Å; L99-S103 PolarHBondContact O-N 2.82Å; D100-S103 PolarHBondContact O-N 2.87Å; K101-S103 PolarHBondContact O-N 2.89Å; S103-V106 PolarHBondContact O-N 2.86Å; S103-S107 VanDerWaalsContact O-CB 3.31Å; S103-S107 WeakPolarHBondContact O-CB 3.4Å; S103-S107 PolarHBondContact O-N 2.66Å; S103-S107 PolarHBondContact O-OG 3.37Å; S103-F142 WeakPolarHBondContact CB-O 3.41Å; S103-F142 PolarHBondContact OG-O 2.8Å; S103-H143 PolarHBondContact OG-CD2 3.12Å
104	T	98	Very high	95.4	Very high	69 Å²	69	47 Å²	47	42%	0.423	27%	0.267	S	S	.	.	H	α-helix	trans	-62.6	-45.8	175.9	-60.5	0	0	0	0	111.6	D100 K101 L102 S107 A108 P205	D100-T104 WeakPolarHBondContact O-CB 3.44Å; D100-T104 PolarHBondContact O-N 3.39Å; D100-T104 PolarHBondContact O-OG1 2.91Å; K101-T104 WeakPolarHBondContact O-CB 3.35Å; K101-T104 PolarHBondContact O-N 2.8Å; L102-T104 VanDerWaalsContact C-N 3.33Å; L102-T104 PolarHBondContact O-N 3.04Å; T104-S107 PolarHBondContact O-N 2.87Å; T104-A108 VanDerWaalsContact O-CB 3.27Å; T104-A108 WeakPolarHBondContact O-CB 3.35Å; T104-A108 PolarHBondContact O-N 3.3Å; T104-P205 HydrophobicContact CG2-CB 3.75Å; T104-P205 HydrophobicContact CG2-CG 4.1Å
105	V	98.1	Very high	95.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59	-49.3	176.1	169.5	0	0	0	0	110.9	L83 K101 L102 A108 L109 L118 P205 I208 A209 I212	L83-V105 HydrophobicContact CD2-CB 4.35Å; L83-V105 HydrophobicContact CD2-CG1 3.94Å; K101-V105 VanDerWaalsContact O-CG2 3.32Å; K101-V105 WeakPolarHBondContact O-CG2 3.36Å; K101-V105 PolarHBondContact O-N 3.31Å; L102-V105 PolarHBondContact O-N 3.14Å; V105-A108 PolarHBondContact O-N 3.06Å; V105-L109 HydrophobicContact CG1-CD1 4.07Å; V105-L109 WeakPolarHBondContact O-CG 3.45Å; V105-L109 PolarHBondContact O-N 3.38Å; V105-L118 HydrophobicContact CG1-CD2 4.27Å; V105-P205 HydrophobicContact CG2-CB 4.02Å; V105-P205 WeakPolarHBondContact CG2-O 3.13Å; V105-I208 HydrophobicContact CB-CG2 4.47Å; V105-I208 HydrophobicContact CG1-CG2 3.85Å; V105-I208 HydrophobicContact CG2-CB 3.81Å; V105-I208 HydrophobicContact CG2-CD1 4.3Å; V105-I208 HydrophobicContact CG2-CG2 3.78Å; V105-A209 HydrophobicContact CG1-CB 4.42Å; V105-I212 HydrophobicContact CG1-CD1 3.77Å
106	V	97.7	Very high	95.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.9	-48.2	-179.1	173.7	0	0	0	0	110.3	L102 S103 A108 L109 D110 L118 P120	L102-V106 HydrophobicContact CD2-CG2 4.32Å; L102-V106 WeakPolarHBondContact O-CG2 3.23Å; L102-V106 PolarHBondContact O-N 3.08Å; S103-V106 PolarHBondContact O-N 2.86Å; V106-A108 VanDerWaalsContact C-N 3.32Å; V106-A108 PolarHBondContact O-N 2.88Å; V106-L109 PolarHBondContact O-N 2.87Å; V106-D110 WeakPolarHBondContact O-CB 3.36Å; V106-D110 PolarHBondContact O-N 3.16Å; V106-L118 HydrophobicContact CG2-CD2 3.89Å; V106-L118 HydrophobicContact CG2-CG 4.31Å; V106-P120 HydrophobicContact CG1-CG 4.33Å; V106-P120 HydrophobicContact CG2-CB 3.99Å; V106-P120 HydrophobicContact CG2-CG 4.14Å
107	S	97.1	Very high	95.9	Very high	44 Å²	44	55.5 Å²	55.5	31%	0.308	30%	0.3	S	S	.	.	H	α-helix	trans	-63.1	-37	178.4	-62	0	0	0	0	112.5	S103 T104 R111	S103-S107 VanDerWaalsContact O-CB 3.31Å; S103-S107 WeakPolarHBondContact O-CB 3.4Å; S103-S107 PolarHBondContact O-N 2.66Å; S103-S107 PolarHBondContact O-OG 3.37Å; T104-S107 PolarHBondContact O-N 2.87Å; S107-R111 WeakPolarHBondContact O-CG 3.33Å; S107-R111 PolarHBondContact O-N 3.35Å
108	A	96.7	Very high	96	Very high	33 Å²	33	51.3 Å²	51.3	27%	0.273	28%	0.277	S	S	.	.	H	α-helix	trans	-67.6	-39.3	177.8	0	0	0	0	0	112.1	T104 V105 V106	T104-A108 VanDerWaalsContact O-CB 3.27Å; T104-A108 WeakPolarHBondContact O-CB 3.35Å; T104-A108 PolarHBondContact O-N 3.3Å; V105-A108 PolarHBondContact O-N 3.06Å; V106-A108 VanDerWaalsContact C-N 3.32Å; V106-A108 PolarHBondContact O-N 2.88Å
109	L	96.6	Very high	96.1	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-72.8	-36.9	177	-67.7	172.3	0	0	0	112.2	V105 V106 R111 D112 L115 L118 A209 I212 R213	V105-L109 HydrophobicContact CG1-CD1 4.07Å; V105-L109 WeakPolarHBondContact O-CG 3.45Å; V105-L109 PolarHBondContact O-N 3.38Å; V106-L109 PolarHBondContact O-N 2.87Å; L109-R111 PolarHBondContact O-N 2.86Å; L109-D112 PolarHBondContact O-N 3.35Å; L109-D112 VanDerWaalsContact O-N 3.08Å; L109-L115 HydrophobicContact CD2-CD1 3.83Å; L109-L118 HydrophobicContact CD1-CD2 3.73Å; L109-A209 HydrophobicContact CD2-CB 4.08Å; L109-A209 HydrophobicContact CG-CB 4.2Å; L109-I212 HydrophobicContact CD1-CB 3.98Å; L109-I212 HydrophobicContact CD1-CD1 4.17Å; L109-I212 HydrophobicContact CD1-CG2 3.62Å; L109-R213 HydrophobicContact CD2-CB 4.42Å
110	D	95.1	Very high	96.2	Very high	59 Å²	59	52.2 Å²	52.2	32%	0.316	28%	0.282	S	S	.	.	H	α-helix	trans	-63.6	-19.2	177.9	-81.5	-3.1	0	0	0	113.4	V106 D112 R145	V106-D110 WeakPolarHBondContact O-CB 3.36Å; V106-D110 PolarHBondContact O-N 3.16Å; D110-D112 PolarHBondContact O-N 3.34Å; D110-R145 IonicContact OD1-NH2 3.95Å; D110-R145 PolarHBondContact OD1-NH2 3.08Å; D110-R145 IonicContact OD2-CZ 3.36Å; D110-R145 IonicContact OD2-NE 3.91Å; D110-R145 PolarHBondContact OD2-NE 2.75Å; D110-R145 IonicContact OD2-NH2 2.72Å; D110-R145 PolarHBondContact OD2-NH2 3.39Å
111	R	95.4	Very high	96.2	Very high	207 Å²	207	48.4 Å²	48.4	78%	0.781	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-21	174.2	-69.8	171.9	-169.5	172.1	3.6	113.2	S107 L109 P113	S107-R111 WeakPolarHBondContact O-CG 3.33Å; S107-R111 PolarHBondContact O-N 3.35Å; L109-R111 PolarHBondContact O-N 2.86Å; R111-P113 WeakPolarHBondContact O-CD 3.34Å
112	D	94.9	Very high	96.2	Very high	51 Å²	51	47 Å²	47	27%	0.273	26%	0.255	S	S	.	.			trans	-97.9	102.1	176.3	-174.4	-11.1	0	0	0	109.4	L109 D110 A114 L115	L109-D112 PolarHBondContact O-N 3.35Å; L109-D112 VanDerWaalsContact O-N 3.08Å; D110-D112 PolarHBondContact O-N 3.34Å; D112-A114 PolarHBondContact O-N 3.17Å; D112-A114 VanDerWaalsContact O-N 3.1Å; D112-A114 WeakPolarHBondContact OD1-CB 3.44Å; D112-A114 PolarHBondContact OD1-N 2.69Å; D112-L115 HydrophobicContact CB-CD1 3.88Å; D112-L115 HydrophobicContact CB-CG 3.96Å; D112-L115 PolarHBondContact O-N 3.47Å
113	P	92.6	Very high	96.2	Very high	130 Å²	130	47 Å²	47	84%	0.844	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-11.3	-176.5	29.5	-36.1	0	0	0	113.4	R111 L115	R111-P113 WeakPolarHBondContact O-CD 3.34Å; P113-L115 VanDerWaalsContact C-N 3.3Å
114	A	93.3	Very high	96.1	Very high	86 Å²	86	46.3 Å²	46.3	71%	0.711	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-14.8	174.5	0	0	0	0	0	112.7	D112	D112-A114 PolarHBondContact O-N 3.17Å; D112-A114 VanDerWaalsContact O-N 3.1Å; D112-A114 WeakPolarHBondContact OD1-CB 3.44Å; D112-A114 PolarHBondContact OD1-N 2.69Å
115	L	94.2	Very high	95.9	Very high	23 Å²	23	44 Å²	44	12%	0.12	24%	0.236	C	C	.	.	S	Bend	trans	-89.6	142.7	178.1	-60.1	179.8	0	0	0	111.1	L109 D112 P113 R213 I216	L109-L115 HydrophobicContact CD2-CD1 3.83Å; D112-L115 HydrophobicContact CB-CD1 3.88Å; D112-L115 HydrophobicContact CB-CG 3.96Å; D112-L115 PolarHBondContact O-N 3.47Å; P113-L115 VanDerWaalsContact C-N 3.3Å; L115-R213 HydrophobicContact CD1-CG 3.98Å; L115-R213 HydrophobicContact CD2-CG 4.08Å; L115-I216 HydrophobicContact CD2-CG2 4.02Å
116	P	94.5	Very high	95.7	Very high	58 Å²	58	44.3 Å²	44.3	38%	0.377	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-63.6	148.6	168.8	30.2	-34.4	0	0	0	109.9	W81 L118 I216	W81-P116 VanDerWaalsContact CD1-CG 3.45Å; W81-P116 HydrophobicContact CG-CG 4.45Å; P116-L118 PolarHBondContact O-N 3.22Å; P116-I216 HydrophobicContact CG-CD1 4.12Å; P116-I216 HydrophobicContact CG-CG1 4.28Å; P116-I216 HydrophobicContact CG-CG2 3.84Å
117	R	93.4	Very high	95.6	Very high	183 Å²	183	45.5 Å²	45.5	69%	0.691	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-66.1	131.5	177.3	-66.4	-170.4	179.9	-162.3	-1.5	110.7
118	L	96.6	Very high	95.3	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.5	172.8	-174.1	65.5	0	0	0	109.4	W81 L83 V105 V106 L109 P116 P120 R145 L188 I212	W81-L118 HydrophobicContact CB-CD1 3.65Å; L83-L118 HydrophobicContact CB-CD1 4.08Å; L83-L118 HydrophobicContact CB-CD2 3.86Å; L83-L118 HydrophobicContact CB-CG 4.02Å; L83-L118 HydrophobicContact CD2-CD2 4.04Å; V105-L118 HydrophobicContact CG1-CD2 4.27Å; V106-L118 HydrophobicContact CG2-CD2 3.89Å; V106-L118 HydrophobicContact CG2-CG 4.31Å; L109-L118 HydrophobicContact CD1-CD2 3.73Å; P116-L118 PolarHBondContact O-N 3.22Å; L118-P120 WeakPolarHBondContact O-CD 3.46Å; L118-R145 VanDerWaalsContact O-CZ 3.28Å; L118-R145 PolarHBondContact O-NH1 3.12Å; L118-R145 PolarHBondContact O-NH2 2.97Å; L118-L188 HydrophobicContact CD1-CD1 4.34Å; L118-I212 HydrophobicContact CD2-CD1 3.88Å
119	Q	98	Very high	95	Very high	22 Å²	22	51 Å²	51	10%	0.103	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	109.7	175.5	178	58.7	56.4	0	0	109.9	F77 R80 W81 V82 L83 L121 R145	F77-Q119 HydrophobicContact CD1-CG 4.11Å; F77-Q119 HydrophobicContact CE1-CG 4.29Å; R80-Q119 HydrophobicContact CB-CB 4.49Å; W81-Q119 WeakPolarHBondContact O-CB 3.25Å; W81-Q119 PolarHBondContact O-N 3.04Å; V82-Q119 WeakPolarHBondContact CA-O 3.43Å; V82-Q119 HydrophobicContact CG2-CB 4.11Å; V82-Q119 HydrophobicContact CG2-CG 4.45Å; L83-Q119 PolarHBondContact N-O 3.04Å; Q119-L121 HydrophobicContact CG-CD2 4.23Å; Q119-L121 HydrophobicContact CG-CG 4.25Å; Q119-R145 PolarHBondContact NE2-O 3.38Å
120	P	98.2	Very high	95	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	131.2	170.9	24.7	-27.9	0	0	0	111.3	L83 L102 V106 L118 R145 L146 V147	L83-P120 WeakPolarHBondContact O-CA 3.37Å; L102-P120 HydrophobicContact CD2-CB 3.41Å; L102-P120 VanDerWaalsContact CD2-CB 3.41Å; L102-P120 HydrophobicContact CG-CB 4.29Å; V106-P120 HydrophobicContact CG1-CG 4.33Å; V106-P120 HydrophobicContact CG2-CB 3.99Å; V106-P120 HydrophobicContact CG2-CG 4.14Å; L118-P120 WeakPolarHBondContact O-CD 3.46Å; P120-R145 HydrophobicContact CG-CB 4.35Å; P120-L146 HydrophobicContact CB-CD1 3.82Å; P120-L146 HydrophobicContact CG-CB 4.43Å; P120-V147 PolarHBondContact O-N 3.08Å
121	L	97.8	Very high	95	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.7	175	-68.8	179.7	0	0	0	111.8	F77 V82 L83 L84 Y85 Q119 V147	F77-L121 HydrophobicContact CD1-CD1 3.88Å; F77-L121 HydrophobicContact CD1-CD2 4.12Å; F77-L121 HydrophobicContact CD1-CG 4.44Å; F77-L121 HydrophobicContact CD2-CD1 4.1Å; F77-L121 HydrophobicContact CE1-CD1 3.87Å; F77-L121 HydrophobicContact CE1-CD2 3.38Å; F77-L121 HydrophobicContact CE1-CG 4.16Å; F77-L121 HydrophobicContact CE2-CD1 4.08Å; F77-L121 HydrophobicContact CE2-CD2 4.42Å; F77-L121 HydrophobicContact CG-CD1 3.99Å; F77-L121 HydrophobicContact CZ-CD1 3.96Å; F77-L121 HydrophobicContact CZ-CD2 3.55Å; F77-L121 HydrophobicContact CZ-CG 4.43Å; V82-L121 HydrophobicContact CG1-CB 4.31Å; V82-L121 HydrophobicContact CG1-CD1 3.46Å; V82-L121 VanDerWaalsContact CG1-CD1 3.46Å; V82-L121 HydrophobicContact CG1-CG 3.92Å; V82-L121 HydrophobicContact CG2-CD1 4.26Å; L83-L121 PolarHBondContact O-N 2.69Å; L84-L121 CarbonylContact C-O 3.45Å; L84-L121 WeakPolarHBondContact CA-O 3.47Å; L84-L121 HydrophobicContact CB-CB 4.46Å; L84-L121 HydrophobicContact CD1-CB 3.67Å; Y85-L121 PolarHBondContact N-O 3.31Å; Q119-L121 HydrophobicContact CG-CD2 4.23Å; Q119-L121 HydrophobicContact CG-CG 4.25Å; L121-V147 HydrophobicContact CD2-CB 3.65Å; L121-V147 HydrophobicContact CD2-CG1 3.97Å
122	F	97.7	Very high	95.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	124.1	171.1	174.4	-113.4	0	0	0	108.7	Y85 G87 L99 L135 Y138 V139 L146 V147 G148 L149	Y85-F122 AromaticContact CD1-CD2 3.78Å; Y85-F122 HydrophobicContact CD1-CD2 3.78Å; Y85-F122 AromaticContact CD1-CE2 3.96Å; Y85-F122 HydrophobicContact CD1-CE2 3.96Å; Y85-F122 HydrophobicContact CE1-CD2 4.46Å; Y85-F122 HydrophobicContact CE1-CE2 4.2Å; Y85-F122 CarbonylContact O-C 3.56Å; Y85-F122 WeakPolarHBondContact O-CA 3.24Å; G87-F122 VanDerWaalsContact C-CZ 3.49Å; L99-F122 HydrophobicContact CD1-CD2 4.41Å; L99-F122 HydrophobicContact CD1-CE2 4.48Å; L99-F122 HydrophobicContact CD2-CB 4.35Å; L99-F122 HydrophobicContact CD2-CD2 4.08Å; L99-F122 HydrophobicContact CD2-CG 4.45Å; F122-L135 HydrophobicContact CD1-CD2 3.88Å; F122-L135 HydrophobicContact CE1-CD2 3.49Å; F122-L135 VanDerWaalsContact CE1-CD2 3.49Å; F122-Y138 HydrophobicContact CE1-CD1 4.2Å; F122-Y138 HydrophobicContact CE1-CE1 4.27Å; F122-Y138 HydrophobicContact CZ-CE1 4.19Å; F122-V139 HydrophobicContact CD1-CG1 4.29Å; F122-L146 HydrophobicContact CB-CD1 4.04Å; F122-V147 PolarHBondContact N-O 3.39Å; F122-G148 CarbonylContact O-C 3.6Å; F122-G148 WeakPolarHBondContact O-CA 3.41Å; F122-L149 PolarHBondContact O-N 3.11Å
123	I	96.5	Very high	95.2	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.9	172.3	-64.5	173.2	0	0	0	107.6	L64 L84 Y85 F86 G87 L149	L64-I123 HydrophobicContact CD1-CD1 4.18Å; L64-I123 HydrophobicContact CD1-CG1 4.2Å; L64-I123 HydrophobicContact CD1-CG2 3.85Å; L84-I123 HydrophobicContact CD1-CB 4.36Å; L84-I123 HydrophobicContact CD1-CD1 3.54Å; L84-I123 HydrophobicContact CD1-CG1 3.64Å; L84-I123 HydrophobicContact CD2-CD1 4.13Å; L84-I123 HydrophobicContact CG-CD1 4.45Å; Y85-I123 PolarHBondContact O-N 3.4Å; F86-I123 WeakPolarHBondContact CA-O 3.37Å; F86-I123 HydrophobicContact CD1-CB 3.73Å; F86-I123 HydrophobicContact CD1-CG2 3.76Å; F86-I123 HydrophobicContact CE1-CB 3.73Å; F86-I123 HydrophobicContact CE1-CD1 3.84Å; F86-I123 HydrophobicContact CE1-CG1 4.36Å; F86-I123 HydrophobicContact CE1-CG2 3.6Å; F86-I123 HydrophobicContact CG-CB 4.45Å; F86-I123 HydrophobicContact CZ-CB 4.44Å; F86-I123 HydrophobicContact CZ-CD1 3.83Å; G87-I123 PolarHBondContact N-O 3.16Å; I123-L149 HydrophobicContact CD1-CD1 4.3Å; I123-L149 HydrophobicContact CG1-CB 4.01Å; I123-L149 HydrophobicContact CG1-CD1 3.89Å; I123-L149 HydrophobicContact CG1-CG 4.41Å
124	T	96.5	Very high	95.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	145.2	175.1	-177.4	0	0	0	0	111.1	G87 D126 P127 D130 L149 T150 V156	G87-T124 CarbonylContact O-C 3.49Å; G87-T124 WeakPolarHBondContact O-CA 3.39Å; T124-D126 PolarHBondContact OG1-N 2.86Å; T124-P127 HydrophobicContact CG2-CB 4.46Å; T124-D130 WeakPolarHBondContact CB-OD2 3.36Å; T124-D130 HydrophobicContact CG2-CB 3.97Å; T124-D130 VanDerWaalsContact OG1-CB 3.3Å; T124-D130 WeakPolarHBondContact OG1-CB 3.47Å; T124-D130 VanDerWaalsContact OG1-CG 3.28Å; T124-D130 PolarHBondContact OG1-OD2 3.13Å; T124-L149 PolarHBondContact N-O 3.4Å; T124-T150 WeakPolarHBondContact CG2-OG1 3.35Å; T124-V156 HydrophobicContact CG2-CG2 4.27Å; T124-V156 WeakPolarHBondContact O-CG1 3.46Å
125	V	94.1	Very high	95.5	Very high	20 Å²	20	36.2 Å²	36.2	12%	0.121	19%	0.191	C	C	.	.	S	Bend	trans	-99.3	-1.8	165.7	-59.6	0	0	0	0	112.5	F86 G87 F88 V165 A167 V180 H182	F86-V125 HydrophobicContact CB-CG1 3.89Å; F86-V125 HydrophobicContact CD1-CG1 4.26Å; G87-V125 PolarHBondContact O-N 3.37Å; F88-V125 HydrophobicContact CB-CG2 4.17Å; F88-V125 HydrophobicContact CD1-CG2 4.07Å; V125-V165 HydrophobicContact CG1-CG1 4.15Å; V125-A167 HydrophobicContact CB-CB 3.89Å; V125-A167 HydrophobicContact CG1-CB 4.24Å; V125-A167 HydrophobicContact CG2-CB 4.4Å; V125-V180 HydrophobicContact CG2-CG1 3.85Å; V125-H182 HydrophobicContact CG2-CB 4.23Å
126	D	93.7	Very high	95.6	Very high	8 Å²	8	36.1 Å²	36.1	4%	0.043	19%	0.193	C	C	.	.			trans	-132	66.4	-173.4	-169.9	16.6	0	0	0	112.8	F88 T124 E128 R129 D130 Y178 V180	F88-D126 HydrophobicContact CB-CB 3.67Å; F88-D126 HydrophobicContact CG-CB 4.39Å; T124-D126 PolarHBondContact OG1-N 2.86Å; D126-E128 PolarHBondContact O-N 2.65Å; D126-E128 VanDerWaalsContact O-N 3.1Å; D126-R129 PolarHBondContact O-N 2.82Å; D126-R129 IonicContact OD2-CZ 3.43Å; D126-R129 IonicContact OD2-NE 3.38Å; D126-R129 PolarHBondContact OD2-NE 3.46Å; D126-R129 IonicContact OD2-NH2 2.7Å; D126-R129 PolarHBondContact OD2-NH2 3.46Å; D126-D130 VanDerWaalsContact O-CB 3.31Å; D126-D130 WeakPolarHBondContact O-CB 3.39Å; D126-D130 PolarHBondContact O-N 3.35Å; D126-Y178 PolarHBondContact OD1-OH 3.32Å; D126-Y178 PolarHBondContact OD2-OH 3.47Å; D126-V180 HydrophobicContact CB-CG2 4.3Å
127	P	94.3	Very high	95.6	Very high	25 Å²	25	36.2 Å²	36.2	16%	0.162	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-11	-175.7	25.9	-32.9	0	0	0	114.4	T124 R129 G151 P153 V156	T124-P127 HydrophobicContact CG2-CB 4.46Å; P127-R129 VanDerWaalsContact C-N 3.32Å; P127-G151 WeakPolarHBondContact CB-O 3.02Å; P127-P153 HydrophobicContact CG-CB 4.3Å; P127-P153 HydrophobicContact CG-CG 4.12Å; P127-V156 HydrophobicContact CB-CG2 3.96Å; P127-V156 HydrophobicContact CG-CB 4.05Å; P127-V156 HydrophobicContact CG-CG1 4.38Å; P127-V156 HydrophobicContact CG-CG2 3.9Å
128	E	91.7	Very high	95.7	Very high	144 Å²	144	29 Å²	29	67%	0.673	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-30.5	176	-65.7	-173.4	-170.4	0	0	112	D126	D126-E128 PolarHBondContact O-N 2.65Å; D126-E128 VanDerWaalsContact O-N 3.1Å
129	R	90.8	Very high	95.7	Very high	47 Å²	47	29 Å²	29	18%	0.177	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-29.2	178.6	-64.4	-172.6	-68.5	-169.8	-5.1	112.9	D126 P127 D131 D177 Y178	D126-R129 PolarHBondContact O-N 2.82Å; D126-R129 IonicContact OD2-CZ 3.43Å; D126-R129 IonicContact OD2-NE 3.38Å; D126-R129 PolarHBondContact OD2-NE 3.46Å; D126-R129 IonicContact OD2-NH2 2.7Å; D126-R129 PolarHBondContact OD2-NH2 3.46Å; P127-R129 VanDerWaalsContact C-N 3.32Å; R129-D131 PolarHBondContact O-N 3Å; R129-D177 IonicContact NH1-OD1 3.01Å; R129-D177 PolarHBondContact NH1-OD1 2.82Å; R129-Y178 PolarHBondContact NE-OH 3.27Å; R129-Y178 PolarHBondContact NH1-O 2.9Å; R129-Y178 VanDerWaalsContact NH2-CE2 3.29Å; R129-Y178 PolarHBondContact NH2-O 3.5Å
130	D	95.6	Very high	95.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.			trans	-93.6	71.2	-175.3	-65.5	-7.5	0	0	0	111.6	F88 T89 H90 T124 D126 L135 T150	F88-D130 WeakPolarHBondContact CA-OD2 3.34Å; F88-D130 WeakPolarHBondContact CB-OD2 3.47Å; T89-D130 WeakPolarHBondContact CB-OD1 3.24Å; T89-D130 HydrophobicContact CG2-CB 4.35Å; T89-D130 WeakPolarHBondContact CG2-OD1 3.5Å; T89-D130 PolarHBondContact N-OD1 3.28Å; T89-D130 PolarHBondContact N-OD2 3.05Å; T89-D130 PolarHBondContact OG1-OD1 3.48Å; H90-D130 IonicContact ND1-OD1 3.64Å; T124-D130 WeakPolarHBondContact CB-OD2 3.36Å; T124-D130 HydrophobicContact CG2-CB 3.97Å; T124-D130 VanDerWaalsContact OG1-CB 3.3Å; T124-D130 WeakPolarHBondContact OG1-CB 3.47Å; T124-D130 VanDerWaalsContact OG1-CG 3.28Å; T124-D130 PolarHBondContact OG1-OD2 3.13Å; D126-D130 VanDerWaalsContact O-CB 3.31Å; D126-D130 WeakPolarHBondContact O-CB 3.39Å; D126-D130 PolarHBondContact O-N 3.35Å; D130-L135 HydrophobicContact CB-CD2 4.21Å; D130-L135 HydrophobicContact CB-CG 4.36Å; D130-T150 VanDerWaalsContact O-CB 3.3Å; D130-T150 WeakPolarHBondContact O-CB 3.41Å; D130-T150 PolarHBondContact O-OG1 2.77Å
131	D	95.4	Very high	95.5	Very high	92 Å²	92	42.5 Å²	42.5	49%	0.492	23%	0.228	S	C	.	.			trans	-72.3	176.1	171.9	79.6	12.1	0	0	0	112.4	R129 A133 A134 L135	R129-D131 PolarHBondContact O-N 3Å; D131-A133 VanDerWaalsContact C-N 3.26Å; D131-A133 PolarHBondContact O-N 3.27Å; D131-A133 WeakPolarHBondContact OD1-CA 3.33Å; D131-A133 PolarHBondContact OD1-N 3.26Å; D131-A134 PolarHBondContact O-N 2.88Å; D131-A134 WeakPolarHBondContact OD1-CB 3.44Å; D131-A134 PolarHBondContact OD1-N 3.28Å; D131-L135 WeakPolarHBondContact O-CB 3.46Å; D131-L135 WeakPolarHBondContact O-CG 3.02Å; D131-L135 PolarHBondContact O-N 2.82Å
132	V	97.2	Very high	95.4	Very high	41 Å²	41	43.8 Å²	43.8	25%	0.248	23%	0.234	C	C	.	.	H	α-helix	trans	-58.7	-38.2	-178.8	174.2	0	0	0	0	111.8	L65 H67 A136 T150	L65-V132 HydrophobicContact CB-CG2 4.27Å; L65-V132 HydrophobicContact CD1-CG2 4.3Å; H67-V132 WeakPolarHBondContact O-CG1 3.07Å; V132-A136 VanDerWaalsContact O-CB 3.32Å; V132-A136 WeakPolarHBondContact O-CB 3.16Å; V132-A136 PolarHBondContact O-N 3.48Å; V132-T150 HydrophobicContact CG2-CG2 3.97Å
133	A	96.6	Very high	95.3	Very high	63 Å²	63	44.4 Å²	44.4	52%	0.521	24%	0.237	S	C	.	.	H	α-helix	trans	-75.9	-40.2	-176.5	0	0	0	0	0	112.1	D131 A136 S137	D131-A133 VanDerWaalsContact C-N 3.26Å; D131-A133 PolarHBondContact O-N 3.27Å; D131-A133 WeakPolarHBondContact OD1-CA 3.33Å; D131-A133 PolarHBondContact OD1-N 3.26Å; A133-A136 PolarHBondContact O-N 2.85Å; A133-S137 PolarHBondContact O-N 3.09Å; A133-S137 VanDerWaalsContact O-N 3.13Å; A133-S137 PolarHBondContact O-OG 3.11Å
134	A	95.7	Very high	95.3	Very high	31 Å²	31	50.7 Å²	50.7	26%	0.256	28%	0.277	S	S	.	.	H	α-helix	trans	-59.8	-50.2	172.4	0	0	0	0	0	110.3	D131 A136 S137 Y138	D131-A134 PolarHBondContact O-N 2.88Å; D131-A134 WeakPolarHBondContact OD1-CB 3.44Å; D131-A134 PolarHBondContact OD1-N 3.28Å; A134-A136 PolarHBondContact O-N 2.89Å; A134-S137 PolarHBondContact O-N 3.11Å; A134-Y138 WeakPolarHBondContact O-CB 3.35Å; A134-Y138 PolarHBondContact O-N 2.9Å
135	L	96.4	Very high	95.3	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-42.6	175.9	-76.8	-169.6	0	0	0	112.7	H67 T89 F122 D130 D131 S137 Y138 V139 T150	H67-L135 HydrophobicContact CB-CB 3.95Å; T89-L135 HydrophobicContact CG2-CD2 3.67Å; F122-L135 HydrophobicContact CD1-CD2 3.88Å; F122-L135 HydrophobicContact CE1-CD2 3.49Å; F122-L135 VanDerWaalsContact CE1-CD2 3.49Å; D130-L135 HydrophobicContact CB-CD2 4.21Å; D130-L135 HydrophobicContact CB-CG 4.36Å; D131-L135 WeakPolarHBondContact O-CB 3.46Å; D131-L135 WeakPolarHBondContact O-CG 3.02Å; D131-L135 PolarHBondContact O-N 2.82Å; L135-S137 PolarHBondContact O-N 2.92Å; L135-Y138 PolarHBondContact O-N 3.25Å; L135-V139 WeakPolarHBondContact O-CG1 3.3Å; L135-V139 VanDerWaalsContact O-CG2 3.29Å; L135-V139 WeakPolarHBondContact O-CG2 3.29Å; L135-V139 PolarHBondContact O-N 3.18Å; L135-T150 HydrophobicContact CD1-CG2 3.81Å
136	A	96.8	Very high	95.5	Very high	20 Å²	20	52.3 Å²	52.3	17%	0.165	28%	0.282	C	S	.	.	H	α-helix	trans	-60	-38	179.5	0	0	0	0	0	112.1	H67 V132 A133 A134 R140	H67-A136 HydrophobicContact CB-CB 4.23Å; H67-A136 WeakPolarHBondContact O-CB 3.23Å; V132-A136 VanDerWaalsContact O-CB 3.32Å; V132-A136 WeakPolarHBondContact O-CB 3.16Å; V132-A136 PolarHBondContact O-N 3.48Å; A133-A136 PolarHBondContact O-N 2.85Å; A134-A136 PolarHBondContact O-N 2.89Å; A136-R140 WeakPolarHBondContact O-CD 3.41Å; A136-R140 VanDerWaalsContact O-CG 3.23Å; A136-R140 WeakPolarHBondContact O-CG 3.45Å; A136-R140 PolarHBondContact O-NE 3.44Å
137	S	95.3	Very high	95.7	Very high	60 Å²	60	53.2 Å²	53.2	42%	0.42	29%	0.288	S	S	.	.	H	α-helix	trans	-70	-49.2	175.3	-58.4	0	0	0	0	110.8	A133 A134 L135 R140	A133-S137 PolarHBondContact O-N 3.09Å; A133-S137 VanDerWaalsContact O-N 3.13Å; A133-S137 PolarHBondContact O-OG 3.11Å; A134-S137 PolarHBondContact O-N 3.11Å; L135-S137 PolarHBondContact O-N 2.92Å; S137-R140 PolarHBondContact O-N 3.32Å; S137-R140 PolarHBondContact OG-NH2 2.87Å
138	Y	95.6	Very high	95.8	Very high	31 Å²	31	52 Å²	52	12%	0.122	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-50.2	-176.9	-168.6	-114.4	0	0	0	113.4	T89 L99 F122 A134 L135 R140 D141 F142	T89-Y138 HydrophobicContact CG2-CD1 3.66Å; T89-Y138 HydrophobicContact CG2-CD2 4.24Å; T89-Y138 HydrophobicContact CG2-CE1 4.25Å; T89-Y138 HydrophobicContact CG2-CG 3.64Å; L99-Y138 HydrophobicContact CD1-CD1 4.19Å; L99-Y138 HydrophobicContact CD1-CE1 3.34Å; F122-Y138 HydrophobicContact CE1-CD1 4.2Å; F122-Y138 HydrophobicContact CE1-CE1 4.27Å; F122-Y138 HydrophobicContact CZ-CE1 4.19Å; A134-Y138 WeakPolarHBondContact O-CB 3.35Å; A134-Y138 PolarHBondContact O-N 2.9Å; L135-Y138 PolarHBondContact O-N 3.25Å; Y138-R140 VanDerWaalsContact C-N 3.28Å; Y138-R140 PolarHBondContact O-N 3.04Å; Y138-D141 PolarHBondContact O-N 3.26Å; Y138-F142 AromaticContact CD1-CE2 3.93Å; Y138-F142 HydrophobicContact CD1-CE2 3.93Å; Y138-F142 HydrophobicContact CD2-CE2 4.02Å; Y138-F142 AromaticContact CE1-CE2 3.73Å; Y138-F142 HydrophobicContact CE1-CE2 3.73Å; Y138-F142 HydrophobicContact CE1-CZ 4.26Å; Y138-F142 AromaticContact CE2-CE2 3.79Å; Y138-F142 HydrophobicContact CE2-CE2 3.79Å; Y138-F142 AromaticContact CE2-CZ 3.96Å; Y138-F142 HydrophobicContact CE2-CZ 3.96Å; Y138-F142 HydrophobicContact CG-CE2 4.08Å; Y138-F142 AromaticContact CZ-CE2 3.64Å; Y138-F142 AromaticContact CZ-CZ 3.78Å; Y138-F142 WeakPolarHBondContact O-CD2 3.5Å; Y138-F142 VanDerWaalsContact O-CE2 3.27Å; Y138-F142 WeakPolarHBondContact O-CE2 3.17Å
139	V	96.4	Very high	96.1	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-70.5	-22.6	-173.3	-59.5	0	0	0	0	114.1	H67 F122 L135 D141 F142 L146	H67-V139 HydrophobicContact CB-CG2 4.36Å; F122-V139 HydrophobicContact CD1-CG1 4.29Å; L135-V139 WeakPolarHBondContact O-CG1 3.3Å; L135-V139 VanDerWaalsContact O-CG2 3.29Å; L135-V139 WeakPolarHBondContact O-CG2 3.29Å; L135-V139 PolarHBondContact O-N 3.18Å; V139-D141 PolarHBondContact O-N 3.02Å; V139-F142 PolarHBondContact O-N 3.48Å; V139-L146 HydrophobicContact CB-CB 4.36Å; V139-L146 HydrophobicContact CB-CD2 3.75Å; V139-L146 HydrophobicContact CB-CG 3.9Å; V139-L146 HydrophobicContact CG1-CD2 3.91Å; V139-L146 HydrophobicContact CG1-CG 4.07Å
140	R	95.2	Very high	96.5	Very high	170 Å²	170	43.2 Å²	43.2	64%	0.642	24%	0.241	S	C	*	.	H	α-helix	trans	-66.2	-27.8	179.2	-81.9	-177.3	-62.5	-174.3	1.6	112.6	A136 S137 Y138 F142	A136-R140 WeakPolarHBondContact O-CD 3.41Å; A136-R140 VanDerWaalsContact O-CG 3.23Å; A136-R140 WeakPolarHBondContact O-CG 3.45Å; A136-R140 PolarHBondContact O-NE 3.44Å; S137-R140 PolarHBondContact O-N 3.32Å; S137-R140 PolarHBondContact OG-NH2 2.87Å; Y138-R140 VanDerWaalsContact C-N 3.28Å; Y138-R140 PolarHBondContact O-N 3.04Å; R140-F142 VanDerWaalsContact C-N 3.31Å; R140-F142 PolarHBondContact O-N 3.41Å
141	D	95.4	Very high	96.5	Very high	136 Å²	136	44 Å²	44	73%	0.727	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-21.1	-176.6	-64.4	-21.6	0	0	0	112.6	Y138 V139	Y138-D141 PolarHBondContact O-N 3.26Å; V139-D141 PolarHBondContact O-N 3.02Å
142	F	96.4	Very high	96.5	Very high	29 Å²	29	42.6 Å²	42.6	13%	0.127	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-52.5	-173.9	-61.6	-78.5	0	0	0	114	P96 L99 D100 S103 Y138 V139 R140 L146	P96-F142 HydrophobicContact CB-CE1 4.24Å; P96-F142 HydrophobicContact CB-CZ 4.25Å; L99-F142 HydrophobicContact CB-CB 4.44Å; L99-F142 HydrophobicContact CB-CD1 3.46Å; L99-F142 VanDerWaalsContact CB-CD1 3.46Å; L99-F142 HydrophobicContact CB-CD2 4.23Å; L99-F142 HydrophobicContact CB-CE1 3.63Å; L99-F142 HydrophobicContact CB-CE2 4.38Å; L99-F142 HydrophobicContact CB-CG 3.78Å; L99-F142 HydrophobicContact CB-CZ 4.1Å; L99-F142 HydrophobicContact CD1-CD1 4.45Å; L99-F142 HydrophobicContact CD1-CD2 3.84Å; L99-F142 HydrophobicContact CD1-CE1 4.26Å; L99-F142 HydrophobicContact CD1-CE2 3.62Å; L99-F142 HydrophobicContact CD1-CG 4.25Å; L99-F142 HydrophobicContact CD1-CZ 3.84Å; D100-F142 WeakPolarHBondContact OD1-CD1 3.41Å; S103-F142 WeakPolarHBondContact CB-O 3.41Å; S103-F142 PolarHBondContact OG-O 2.8Å; Y138-F142 AromaticContact CD1-CE2 3.93Å; Y138-F142 HydrophobicContact CD1-CE2 3.93Å; Y138-F142 HydrophobicContact CD2-CE2 4.02Å; Y138-F142 AromaticContact CE1-CE2 3.73Å; Y138-F142 HydrophobicContact CE1-CE2 3.73Å; Y138-F142 HydrophobicContact CE1-CZ 4.26Å; Y138-F142 AromaticContact CE2-CE2 3.79Å; Y138-F142 HydrophobicContact CE2-CE2 3.79Å; Y138-F142 AromaticContact CE2-CZ 3.96Å; Y138-F142 HydrophobicContact CE2-CZ 3.96Å; Y138-F142 HydrophobicContact CG-CE2 4.08Å; Y138-F142 AromaticContact CZ-CE2 3.64Å; Y138-F142 AromaticContact CZ-CZ 3.78Å; Y138-F142 WeakPolarHBondContact O-CD2 3.5Å; Y138-F142 VanDerWaalsContact O-CE2 3.27Å; Y138-F142 WeakPolarHBondContact O-CE2 3.17Å; V139-F142 PolarHBondContact O-N 3.48Å; R140-F142 VanDerWaalsContact C-N 3.31Å; R140-F142 PolarHBondContact O-N 3.41Å; F142-L146 HydrophobicContact CB-CD2 3.94Å; F142-L146 HydrophobicContact CD2-CD2 4.34Å; F142-L146 HydrophobicContact CG-CD2 4.48Å
143	H	96.8	Very high	96.4	Very high	14 Å²	14	43 Å²	43	7%	0.065	25%	0.247	C	C	.	.			trans	-159.2	134.8	-176.6	-168.5	-91	0	0	0	112.2	S103 R145 L146	S103-H143 PolarHBondContact OG-CD2 3.12Å; H143-R145 PolarHBondContact ND1-N 3.04Å; H143-R145 PolarHBondContact O-N 3.29Å; H143-L146 HydrophobicContact CB-CB 4.11Å; H143-L146 VanDerWaalsContact O-CB 3.29Å; H143-L146 WeakPolarHBondContact O-CB 3.13Å; H143-L146 PolarHBondContact O-N 3.45Å
144	P	95.3	Very high	96.2	Very high	131 Å²	131	45 Å²	45	85%	0.851	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.5	-175.4	26	-36.4	0	0	0	114.5
145	R	95.9	Very high	96.1	Very high	49 Å²	49	46.1 Å²	46.1	19%	0.185	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-1	175.3	-50.8	-168.8	-66.5	99.6	-5.5	113.6	D110 L118 Q119 P120 H143 V147	D110-R145 IonicContact OD1-NH2 3.95Å; D110-R145 PolarHBondContact OD1-NH2 3.08Å; D110-R145 IonicContact OD2-CZ 3.36Å; D110-R145 IonicContact OD2-NE 3.91Å; D110-R145 PolarHBondContact OD2-NE 2.75Å; D110-R145 IonicContact OD2-NH2 2.72Å; D110-R145 PolarHBondContact OD2-NH2 3.39Å; L118-R145 VanDerWaalsContact O-CZ 3.28Å; L118-R145 PolarHBondContact O-NH1 3.12Å; L118-R145 PolarHBondContact O-NH2 2.97Å; Q119-R145 PolarHBondContact NE2-O 3.38Å; P120-R145 HydrophobicContact CG-CB 4.35Å; H143-R145 PolarHBondContact ND1-N 3.04Å; H143-R145 PolarHBondContact O-N 3.29Å; R145-V147 PolarHBondContact O-N 3.17Å
146	L	98	Very high	96	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.026	25%	0.248	C	C	.	.			trans	-67.5	125.7	179.5	-179.6	61.6	0	0	0	109.5	L99 L102 P120 F122 V139 F142 H143	L99-L146 HydrophobicContact CD2-CD2 4.13Å; L102-L146 HydrophobicContact CD2-CD1 4.38Å; P120-L146 HydrophobicContact CB-CD1 3.82Å; P120-L146 HydrophobicContact CG-CB 4.43Å; F122-L146 HydrophobicContact CB-CD1 4.04Å; V139-L146 HydrophobicContact CB-CB 4.36Å; V139-L146 HydrophobicContact CB-CD2 3.75Å; V139-L146 HydrophobicContact CB-CG 3.9Å; V139-L146 HydrophobicContact CG1-CD2 3.91Å; V139-L146 HydrophobicContact CG1-CG 4.07Å; F142-L146 HydrophobicContact CB-CD2 3.94Å; F142-L146 HydrophobicContact CD2-CD2 4.34Å; F142-L146 HydrophobicContact CG-CD2 4.48Å; H143-L146 HydrophobicContact CB-CB 4.11Å; H143-L146 VanDerWaalsContact O-CB 3.29Å; H143-L146 WeakPolarHBondContact O-CB 3.13Å; H143-L146 PolarHBondContact O-N 3.45Å
147	V	98.3	Very high	95.7	Very high	28 Å²	28	52.2 Å²	52.2	17%	0.17	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112	174.4	171.9	0	0	0	0	108.2	D66 P120 L121 F122 R145 L149	D66-V147 HydrophobicContact CB-CG1 4.03Å; P120-V147 PolarHBondContact O-N 3.08Å; L121-V147 HydrophobicContact CD2-CB 3.65Å; L121-V147 HydrophobicContact CD2-CG1 3.97Å; F122-V147 PolarHBondContact N-O 3.39Å; R145-V147 PolarHBondContact O-N 3.17Å; V147-L149 HydrophobicContact CG1-CD2 3.85Å; V147-L149 HydrophobicContact CG1-CG 4.34Å
148	G	97.9	Very high	95.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	139.2	167.5	0	0	0	0	0	111.1	D66 H67 F122	D66-G148 CarbonylContact C-O 3.56Å; D66-G148 VanDerWaalsContact CA-O 3.26Å; D66-G148 WeakPolarHBondContact CA-O 3.39Å; H67-G148 PolarHBondContact N-O 2.72Å; H67-G148 PolarHBondContact ND1-N 2.86Å; H67-G148 PolarHBondContact ND1-O 3.33Å; F122-G148 CarbonylContact O-C 3.6Å; F122-G148 WeakPolarHBondContact O-CA 3.41Å
149	L	98.1	Very high	95.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.3	178.9	-59.8	179.1	0	0	0	110.6	F62 L64 L65 D66 R72 F77 F122 I123 T124 V147	F62-L149 HydrophobicContact CE2-CD1 3.84Å; F62-L149 HydrophobicContact CZ-CD1 4.2Å; L64-L149 HydrophobicContact CB-CB 4.09Å; L64-L149 HydrophobicContact CD1-CB 3.91Å; L64-L149 HydrophobicContact CD1-CD1 4.27Å; L65-L149 CarbonylContact O-C 3.57Å; L65-L149 VanDerWaalsContact O-CA 3.24Å; L65-L149 WeakPolarHBondContact O-CA 3.47Å; D66-L149 HydrophobicContact CB-CD2 3.78Å; R72-L149 HydrophobicContact CB-CD2 4Å; R72-L149 HydrophobicContact CG-CD2 4.12Å; F77-L149 HydrophobicContact CE2-CD1 4.31Å; F77-L149 HydrophobicContact CZ-CD1 4.41Å; F122-L149 PolarHBondContact O-N 3.11Å; I123-L149 HydrophobicContact CD1-CD1 4.3Å; I123-L149 HydrophobicContact CG1-CB 4.01Å; I123-L149 HydrophobicContact CG1-CD1 3.89Å; I123-L149 HydrophobicContact CG1-CG 4.41Å; T124-L149 PolarHBondContact N-O 3.4Å; V147-L149 HydrophobicContact CG1-CD2 3.85Å; V147-L149 HydrophobicContact CG1-CG 4.34Å
150	T	97.9	Very high	95	Very high	6 Å²	6	51.5 Å²	51.5	4%	0.037	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	179.2	174.7	-171	0	0	0	0	110.8	L64 L65 T124 D130 V132 L135	L64-T150 CarbonylContact C-O 3.36Å; L64-T150 WeakPolarHBondContact CB-O 3.46Å; L65-T150 HydrophobicContact CB-CG2 4.47Å; L65-T150 PolarHBondContact N-O 2.82Å; L65-T150 PolarHBondContact O-N 3.22Å; T124-T150 WeakPolarHBondContact CG2-OG1 3.35Å; D130-T150 VanDerWaalsContact O-CB 3.3Å; D130-T150 WeakPolarHBondContact O-CB 3.41Å; D130-T150 PolarHBondContact O-OG1 2.77Å; V132-T150 HydrophobicContact CG2-CG2 3.97Å; L135-T150 HydrophobicContact CD1-CG2 3.81Å
151	G	96.2	Very high	94.6	Very high	15 Å²	15	50.2 Å²	50.2	16%	0.155	25%	0.253	C	S	.	.			trans	178.1	-160.4	-179.3	0	0	0	0	0	111	P127 E155	P127-G151 WeakPolarHBondContact CB-O 3.02Å; G151-E155 WeakPolarHBondContact CA-OE2 3.2Å
152	T	95.9	Very high	94	Very high	64 Å²	64	45.1 Å²	45.1	39%	0.393	23%	0.226	S	C	.	.			trans	-71.4	159	169.5	79.6	0	0	0	0	110.7	E154 E155 V156	T152-E154 PolarHBondContact O-N 2.84Å; T152-E154 VanDerWaalsContact O-N 3.12Å; T152-E154 PolarHBondContact OG1-N 3.3Å; T152-E154 PolarHBondContact OG1-OE2 3.15Å; T152-E155 PolarHBondContact N-OE2 3.45Å; T152-E155 VanDerWaalsContact N-OE2 3.09Å; T152-E155 PolarHBondContact O-N 2.94Å; T152-E155 WeakPolarHBondContact OG1-CG 3.35Å; T152-E155 PolarHBondContact OG1-N 2.79Å; T152-V156 PolarHBondContact O-N 3Å
153	P	93.7	Very high	93.4	Very high	49 Å²	49	44.4 Å²	44.4	32%	0.318	22%	0.223	S	C	.	.	H	α-helix	trans	-51.1	-33.5	172.2	-28.3	35.8	0	0	0	113.8	P127 R157	P127-P153 HydrophobicContact CG-CB 4.3Å; P127-P153 HydrophobicContact CG-CG 4.12Å; P153-R157 VanDerWaalsContact O-CB 3.23Å; P153-R157 WeakPolarHBondContact O-CB 3.49Å; P153-R157 WeakPolarHBondContact O-CG 3.47Å; P153-R157 PolarHBondContact O-N 3.02Å; P153-R157 PolarHBondContact O-NE 3.37Å; P153-R157 VanDerWaalsContact O-NE 3.14Å
154	E	93.1	Very high	92.8	Very high	104 Å²	104	52.4 Å²	52.4	49%	0.486	25%	0.252	S	S	.	.	H	α-helix	trans	-69.7	-44	177	-67	58.2	-122.8	0	0	111.8	T152 R157 H158	T152-E154 PolarHBondContact O-N 2.84Å; T152-E154 VanDerWaalsContact O-N 3.12Å; T152-E154 PolarHBondContact OG1-N 3.3Å; T152-E154 PolarHBondContact OG1-OE2 3.15Å; E154-R157 IonicContact OE1-CZ 3.07Å; E154-R157 IonicContact OE1-NH2 2.68Å; E154-R157 PolarHBondContact OE1-NH2 2.89Å; E154-H158 WeakPolarHBondContact O-CB 3.49Å; E154-H158 PolarHBondContact O-N 3.23Å
155	E	94.4	Very high	92.2	Very high	56 Å²	56	47.1 Å²	47.1	26%	0.262	22%	0.218	S	C	.	.	H	α-helix	trans	-66.4	-45.5	179.8	-67.1	-178.8	142.8	0	0	111.2	L64 R71 G151 T152 H158 A159	L64-E155 HydrophobicContact CD2-CB 3.82Å; R71-E155 IonicContact CZ-OE1 2.75Å; R71-E155 IonicContact CZ-OE2 2.82Å; R71-E155 IonicContact NH1-OE1 3.31Å; R71-E155 PolarHBondContact NH1-OE1 2.65Å; R71-E155 IonicContact NH1-OE2 2.66Å; R71-E155 IonicContact NH2-OE1 2.69Å; R71-E155 PolarHBondContact NH2-OE1 2.81Å; R71-E155 IonicContact NH2-OE2 3.77Å; R71-E155 PolarHBondContact NH2-OE2 3.17Å; G151-E155 WeakPolarHBondContact CA-OE2 3.2Å; T152-E155 PolarHBondContact N-OE2 3.45Å; T152-E155 VanDerWaalsContact N-OE2 3.09Å; T152-E155 PolarHBondContact O-N 2.94Å; T152-E155 WeakPolarHBondContact OG1-CG 3.35Å; T152-E155 PolarHBondContact OG1-N 2.79Å; E155-H158 WeakPolarHBondContact O-CB 3.37Å; E155-H158 PolarHBondContact O-N 3.33Å; E155-A159 PolarHBondContact O-N 2.92Å
156	V	93.8	Very high	91.3	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.055	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-46.2	176.6	167.4	0	0	0	0	111	L64 T124 P127 T152 H158 A159 G160	L64-V156 HydrophobicContact CD2-CG2 4.12Å; T124-V156 HydrophobicContact CG2-CG2 4.27Å; T124-V156 WeakPolarHBondContact O-CG1 3.46Å; P127-V156 HydrophobicContact CB-CG2 3.96Å; P127-V156 HydrophobicContact CG-CB 4.05Å; P127-V156 HydrophobicContact CG-CG1 4.38Å; P127-V156 HydrophobicContact CG-CG2 3.9Å; T152-V156 PolarHBondContact O-N 3Å; V156-H158 VanDerWaalsContact C-N 3.25Å; V156-H158 PolarHBondContact O-N 2.91Å; V156-A159 PolarHBondContact O-N 2.92Å; V156-G160 PolarHBondContact O-N 3.36Å
157	R	90.6	Very high	90.4	Very high	138 Å²	138	53.7 Å²	53.7	52%	0.521	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-36.1	174.5	-75.6	-177	-59.9	159	-4.5	111.9	P153 E154 R161	P153-R157 VanDerWaalsContact O-CB 3.23Å; P153-R157 WeakPolarHBondContact O-CB 3.49Å; P153-R157 WeakPolarHBondContact O-CG 3.47Å; P153-R157 PolarHBondContact O-N 3.02Å; P153-R157 PolarHBondContact O-NE 3.37Å; P153-R157 VanDerWaalsContact O-NE 3.14Å; E154-R157 IonicContact OE1-CZ 3.07Å; E154-R157 IonicContact OE1-NH2 2.68Å; E154-R157 PolarHBondContact OE1-NH2 2.89Å; R157-R161 VanDerWaalsContact O-CG 3.3Å; R157-R161 WeakPolarHBondContact O-CG 3.49Å; R157-R161 PolarHBondContact O-N 3.2Å
158	H	90.7	Very high	89.4	Confident	72 Å²	72	54.6 Å²	54.6	33%	0.333	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-50.5	174.9	-171.5	102.3	0	0	0	111.3	T61 E154 E155 V156 G160 R161	T61-H158 PolarHBondContact O-CD2 3.38Å; T61-H158 PolarHBondContact O-NE2 3.17Å; E154-H158 WeakPolarHBondContact O-CB 3.49Å; E154-H158 PolarHBondContact O-N 3.23Å; E155-H158 WeakPolarHBondContact O-CB 3.37Å; E155-H158 PolarHBondContact O-N 3.33Å; V156-H158 VanDerWaalsContact C-N 3.25Å; V156-H158 PolarHBondContact O-N 2.91Å; H158-G160 VanDerWaalsContact C-N 3.33Å; H158-G160 PolarHBondContact O-N 2.92Å; H158-R161 VanDerWaalsContact CA-NH2 3.3Å; H158-R161 PolarHBondContact ND1-NH2 3.46Å; H158-R161 PolarHBondContact O-N 3.28Å
159	A	91.6	Very high	88.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-43.1	177.2	0	0	0	0	0	112.1	F62 L64 E155 V156 D162 F163	F62-A159 HydrophobicContact CB-CB 3.7Å; L64-A159 HydrophobicContact CD1-CB 4.01Å; E155-A159 PolarHBondContact O-N 2.92Å; V156-A159 PolarHBondContact O-N 2.92Å; A159-D162 PolarHBondContact O-N 3.25Å; A159-F163 WeakPolarHBondContact O-CD2 3.45Å
160	G	89.3	Confident	87.3	Confident	7 Å²	7	58.9 Å²	58.9	7%	0.072	30%	0.299	C	S	.	.	H	α-helix	trans	-65.4	-37.6	178.8	0	0	0	0	0	113.7	V156 H158 D162 F163 R164 V165	V156-G160 PolarHBondContact O-N 3.36Å; H158-G160 VanDerWaalsContact C-N 3.33Å; H158-G160 PolarHBondContact O-N 2.92Å; G160-D162 VanDerWaalsContact C-N 3.3Å; G160-D162 PolarHBondContact O-N 3.45Å; G160-F163 CarbonylContact O-C 3.53Å; G160-F163 PolarHBondContact O-N 2.93Å; G160-R164 PolarHBondContact O-N 3.2Å; G160-R164 VanDerWaalsContact O-N 3.09Å; G160-V165 PolarHBondContact O-N 3Å
161	R	87.2	Confident	86.1	Confident	142 Å²	142	64.6 Å²	64.6	54%	0.536	34%	0.336	S	S	.	.	H	α-helix	trans	-59.8	-39.4	179.2	-82.3	-172.3	-58.5	-101.2	2.9	112.6	R157 H158 F163 R164	R157-R161 VanDerWaalsContact O-CG 3.3Å; R157-R161 WeakPolarHBondContact O-CG 3.49Å; R157-R161 PolarHBondContact O-N 3.2Å; H158-R161 VanDerWaalsContact CA-NH2 3.3Å; H158-R161 PolarHBondContact ND1-NH2 3.46Å; H158-R161 PolarHBondContact O-N 3.28Å; R161-F163 PolarHBondContact O-N 2.64Å; R161-R164 PolarHBondContact O-N 3.04Å
162	D	83.6	Confident	85.2	Confident	30 Å²	30	70.4 Å²	70.4	16%	0.16	36%	0.358	C	S	.	.	H	α-helix	trans	-62	-34.2	-179.4	-66	-26.6	0	0	0	111.8	L57 G58 G60 A159 G160	L57-D162 CarbonylContact C-O 3.57Å; L57-D162 WeakPolarHBondContact CA-O 3.23Å; G58-D162 PolarHBondContact N-O 2.7Å; G60-D162 WeakPolarHBondContact CA-OD2 3.43Å; A159-D162 PolarHBondContact O-N 3.25Å; G160-D162 VanDerWaalsContact C-N 3.3Å; G160-D162 PolarHBondContact O-N 3.45Å
163	F	83.9	Confident	84.3	Confident	13 Å²	13	71.4 Å²	71.4	6%	0.057	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	6.3	177.4	-67.9	-88	0	0	0	113.1	L84 F86 A159 G160 R161 V165 Y187 V189	L84-F163 HydrophobicContact CD2-CD1 4.27Å; L84-F163 HydrophobicContact CD2-CD2 4.23Å; L84-F163 HydrophobicContact CD2-CE1 3.9Å; L84-F163 HydrophobicContact CD2-CE2 3.86Å; L84-F163 HydrophobicContact CD2-CG 4.42Å; L84-F163 HydrophobicContact CD2-CZ 3.67Å; F86-F163 HydrophobicContact CE2-CB 3.76Å; F86-F163 HydrophobicContact CE2-CD1 4.5Å; F86-F163 AromaticContact CE2-CD2 3.89Å; F86-F163 HydrophobicContact CE2-CD2 3.89Å; F86-F163 AromaticContact CE2-CG 3.8Å; F86-F163 HydrophobicContact CE2-CG 3.8Å; F86-F163 HydrophobicContact CZ-CB 4.05Å; F86-F163 AromaticContact CZ-CD2 3.63Å; F86-F163 HydrophobicContact CZ-CD2 3.63Å; F86-F163 HydrophobicContact CZ-CE2 4.36Å; F86-F163 HydrophobicContact CZ-CG 4Å; A159-F163 WeakPolarHBondContact O-CD2 3.45Å; G160-F163 CarbonylContact O-C 3.53Å; G160-F163 PolarHBondContact O-N 2.93Å; R161-F163 PolarHBondContact O-N 2.64Å; F163-V165 HydrophobicContact CB-CG2 3.83Å; F163-V165 PolarHBondContact O-N 3.49Å; F163-Y187 HydrophobicContact CB-CE1 4.28Å; F163-Y187 AromaticContact CD1-CD1 3.98Å; F163-Y187 HydrophobicContact CD1-CD1 3.98Å; F163-Y187 HydrophobicContact CD1-CE1 4.49Å; F163-Y187 HydrophobicContact CD1-CG 4.17Å; F163-V189 HydrophobicContact CE1-CG2 3.95Å; F163-V189 HydrophobicContact CZ-CG2 4.28Å
164	R	82.9	Confident	83.1	Confident	182 Å²	182	78.8 Å²	78.8	69%	0.687	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	36	-173.2	-64.5	-178.2	-171.9	-163	-2.8	113	L57 G160 R161 Y166	L57-R164 HydrophobicContact CD2-CB 3.96Å; L57-R164 HydrophobicContact CD2-CG 3.53Å; G160-R164 PolarHBondContact O-N 3.2Å; G160-R164 VanDerWaalsContact O-N 3.09Å; R161-R164 PolarHBondContact O-N 3.04Å; R164-Y166 PolarHBondContact O-N 3.39Å
165	V	82.9	Confident	82.1	Confident	20 Å²	20	81.3 Å²	81.3	12%	0.121	41%	0.408	C	S	.	.			trans	-69.5	120	174.9	177.8	0	0	0	0	107.9	F86 V125 G160 F163 Y187	F86-V165 HydrophobicContact CB-CG1 3.99Å; F86-V165 HydrophobicContact CB-CG2 4.16Å; F86-V165 HydrophobicContact CD1-CG1 4.32Å; F86-V165 HydrophobicContact CD1-CG2 3.95Å; F86-V165 HydrophobicContact CD2-CG2 3.4Å; F86-V165 VanDerWaalsContact CD2-CG2 3.4Å; F86-V165 HydrophobicContact CE1-CG2 4.12Å; F86-V165 HydrophobicContact CE2-CG2 3.59Å; F86-V165 HydrophobicContact CG-CB 4.42Å; F86-V165 HydrophobicContact CG-CG1 4.13Å; F86-V165 HydrophobicContact CG-CG2 3.58Å; F86-V165 HydrophobicContact CZ-CG2 3.95Å; V125-V165 HydrophobicContact CG1-CG1 4.15Å; G160-V165 PolarHBondContact O-N 3Å; F163-V165 HydrophobicContact CB-CG2 3.83Å; F163-V165 PolarHBondContact O-N 3.49Å; V165-Y187 HydrophobicContact CG2-CE2 4.45Å
166	Y	77.6	Confident	80.9	Confident	144 Å²	144	80.5 Å²	80.5	57%	0.565	41%	0.414	S	S	*	.			trans	-81.9	132.5	164.4	-177.2	-99.4	0	0	0	108.4	R164 S168 D181 H182 S183	R164-Y166 PolarHBondContact O-N 3.39Å; Y166-S168 WeakPolarHBondContact OH-CB 3.41Å; Y166-D181 HydrophobicContact CE1-CB 4.49Å; Y166-H182 WeakPolarHBondContact O-CA 3.46Å; Y166-H182 WeakPolarHBondContact O-CB 3.34Å; Y166-S183 PolarHBondContact N-OG 3.47Å; Y166-S183 PolarHBondContact O-N 3.25Å; Y166-S183 VanDerWaalsContact O-N 3.12Å
167	A	77.8	Confident	79.7	Confident	49 Å²	49	83.8 Å²	83.8	41%	0.405	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	126.3	171.6	0	0	0	0	0	108.2	V125 V180 D181 H182	V125-A167 HydrophobicContact CB-CB 3.89Å; V125-A167 HydrophobicContact CG1-CB 4.24Å; V125-A167 HydrophobicContact CG2-CB 4.4Å; A167-V180 HydrophobicContact CB-CG1 4.31Å; A167-D181 CarbonylContact C-O 3.57Å; A167-D181 VanDerWaalsContact CA-O 3.24Å; A167-D181 WeakPolarHBondContact CA-O 3.48Å; A167-H182 HydrophobicContact CB-CB 4.36Å
168	S	78.4	Confident	78.9	Confident	46 Å²	46	78 Å²	78	32%	0.322	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	122.3	176.5	-172.8	0	0	0	0	109.9	Y166 V180 D181	Y166-S168 WeakPolarHBondContact OH-CB 3.41Å; S168-V180 CarbonylContact O-C 3.56Å; S168-V180 WeakPolarHBondContact O-CA 3.32Å; S168-D181 PolarHBondContact N-O 2.87Å; S168-D181 PolarHBondContact O-N 3.42Å
169	A	77.6	Confident	77.9	Confident	63 Å²	63	80.9 Å²	80.9	52%	0.521	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	130.4	170.4	0	0	0	0	0	109.6	Y178	A169-Y178 HydrophobicContact CB-CD2 3.84Å; A169-Y178 HydrophobicContact CB-CE2 3.96Å
170	G	74	Confident	76.9	Confident	27 Å²	27	81.5 Å²	81.5	28%	0.278	43%	0.428	S	S	.	.			trans	-74.4	174.7	172.1	0	0	0	0	0	112.3	M179	G170-M179 PolarHBondContact N-O 2.95Å
171	P	73.3	Confident	76	Confident	126 Å²	126	86.6 Å²	86.6	82%	0.818	45%	0.454	S	S	*	.			trans	-61.8	143.8	173.4	27.9	-33.3	0	0	0	110.3
172	K	76.5	Confident	75.4	Confident	138 Å²	138	81.1 Å²	81.1	60%	0.6	43%	0.434	S	S	*	.			trans	-72	140.3	172.9	-63.7	-174	178.5	-169.2	0	110.2	D177 Y178	K172-D177 CarbonylContact C-O 3.5Å; K172-D177 VanDerWaalsContact CA-O 3.23Å; K172-D177 WeakPolarHBondContact CA-O 3.43Å; K172-Y178 HydrophobicContact CG-CD1 4.12Å
173	D	77	Confident	75	Confident	85 Å²	85	81.3 Å²	81.3	46%	0.455	44%	0.438	S	S	.	.			trans	-79.5	-174.8	172.1	69.3	13.8	0	0	0	112.2	D175 G176 D177	D173-D175 PolarHBondContact O-N 3.45Å; D173-D175 WeakPolarHBondContact OD1-CA 3.46Å; D173-D175 PolarHBondContact OD1-N 2.85Å; D173-G176 PolarHBondContact O-N 3.2Å; D173-G176 VanDerWaalsContact O-N 3.14Å; D173-G176 PolarHBondContact OD1-N 2.96Å; D173-D177 PolarHBondContact N-O 3.44Å; D173-D177 PolarHBondContact OD1-N 3.41Å
174	E	68.6	Low	75.1	Confident	204 Å²	204	82 Å²	82	95%	0.953	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.3	-179	-64.1	-172.3	160	0	0	113
175	D	73	Confident	75.5	Confident	157 Å²	157	75.2 Å²	75.2	84%	0.84	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-2.9	178.6	-66.1	-41.2	0	0	0	112.4	D173	D173-D175 PolarHBondContact O-N 3.45Å; D173-D175 WeakPolarHBondContact OD1-CA 3.46Å; D173-D175 PolarHBondContact OD1-N 2.85Å
176	G	67.6	Low	76.1	Confident	38 Å²	38	74.3 Å²	74.3	39%	0.392	42%	0.415	S	S	.	.	S	Bend	trans	86.1	7.2	179.5	0	0	0	0	0	114.7	D173	D173-G176 PolarHBondContact O-N 3.2Å; D173-G176 VanDerWaalsContact O-N 3.14Å; D173-G176 PolarHBondContact OD1-N 2.96Å
177	D	69.8	Low	76.9	Confident	79 Å²	79	67.9 Å²	67.9	42%	0.422	39%	0.39	S	S	.	.			trans	-80.2	152.3	175.7	-167.7	22.2	0	0	0	111.2	R129 K172 D173	R129-D177 IonicContact NH1-OD1 3.01Å; R129-D177 PolarHBondContact NH1-OD1 2.82Å; K172-D177 CarbonylContact C-O 3.5Å; K172-D177 VanDerWaalsContact CA-O 3.23Å; K172-D177 WeakPolarHBondContact CA-O 3.43Å; D173-D177 PolarHBondContact N-O 3.44Å; D173-D177 PolarHBondContact OD1-N 3.41Å
178	Y	73.6	Confident	77.8	Confident	17 Å²	17	65.6 Å²	65.6	7%	0.067	37%	0.371	C	S	.	.			trans	-148	149.3	177.8	62.2	-84.6	0	0	0	112.1	D126 R129 A169 K172 V180	D126-Y178 PolarHBondContact OD1-OH 3.32Å; D126-Y178 PolarHBondContact OD2-OH 3.47Å; R129-Y178 PolarHBondContact NE-OH 3.27Å; R129-Y178 PolarHBondContact NH1-O 2.9Å; R129-Y178 VanDerWaalsContact NH2-CE2 3.29Å; R129-Y178 PolarHBondContact NH2-O 3.5Å; A169-Y178 HydrophobicContact CB-CD2 3.84Å; A169-Y178 HydrophobicContact CB-CE2 3.96Å; K172-Y178 HydrophobicContact CG-CD1 4.12Å; Y178-V180 HydrophobicContact CD2-CG2 3.92Å; Y178-V180 HydrophobicContact CE2-CG2 3.67Å
179	M	68.9	Low	78.5	Confident	132 Å²	132	64 Å²	64	65%	0.65	36%	0.359	S	S	*	.			trans	-91	149	170.6	-64.1	-170.3	177.8	0	0	110.6	G170	G170-M179 PolarHBondContact N-O 2.95Å
180	V	71.2	Confident	79.2	Confident	12 Å²	12	61 Å²	61	7%	0.073	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	116.3	172.5	-177.6	0	0	0	0	108.8	F88 V125 D126 A167 S168 Y178 H182	F88-V180 HydrophobicContact CD1-CB 4.06Å; F88-V180 HydrophobicContact CE1-CB 3.89Å; F88-V180 WeakPolarHBondContact CE1-O 3.28Å; F88-V180 HydrophobicContact CZ-CB 4.18Å; V125-V180 HydrophobicContact CG2-CG1 3.85Å; D126-V180 HydrophobicContact CB-CG2 4.3Å; A167-V180 HydrophobicContact CB-CG1 4.31Å; S168-V180 CarbonylContact O-C 3.56Å; S168-V180 WeakPolarHBondContact O-CA 3.32Å; Y178-V180 HydrophobicContact CD2-CG2 3.92Å; Y178-V180 HydrophobicContact CE2-CG2 3.67Å; V180-H182 PolarHBondContact O-N 3.27Å
181	D	70.6	Confident	80.1	Confident	114 Å²	114	60.7 Å²	60.7	61%	0.61	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	114.8	170.5	-77.7	-30.9	0	0	0	108.6	Y166 A167 S168	Y166-D181 HydrophobicContact CE1-CB 4.49Å; A167-D181 CarbonylContact C-O 3.57Å; A167-D181 VanDerWaalsContact CA-O 3.24Å; A167-D181 WeakPolarHBondContact CA-O 3.48Å; S168-D181 PolarHBondContact N-O 2.87Å; S168-D181 PolarHBondContact O-N 3.42Å
182	H	74.3	Confident	80.9	Confident	27 Å²	27	57.1 Å²	57.1	13%	0.125	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	161.7	176.8	75	96.3	0	0	0	114.7	Y85 F86 G87 F88 C95 V125 Y166 A167 V180 V184	Y85-H182 PolarHBondContact OH-CE1 3.14Å; F86-H182 PolarHBondContact O-CE1 3.41Å; F86-H182 PolarHBondContact O-ND1 3.45Å; F86-H182 VanDerWaalsContact O-ND1 3.08Å; G87-H182 VanDerWaalsContact CA-CE1 3.47Å; G87-H182 WeakPolarHBondContact CA-CE1 3.16Å; F88-H182 AromaticContact CD1-CD2 3.77Å; F88-H182 AromaticContact CD1-NE2 3.84Å; F88-H182 AromaticContact CE1-CD2 3.64Å; F88-H182 AromaticContact CE1-NE2 3.78Å; C95-H182 PolarHBondContact SG-NE2 2.79Å; C95-H182 VanDerWaalsContact SG-NE2 3.41Å; V125-H182 HydrophobicContact CG2-CB 4.23Å; Y166-H182 WeakPolarHBondContact O-CA 3.46Å; Y166-H182 WeakPolarHBondContact O-CB 3.34Å; A167-H182 HydrophobicContact CB-CB 4.36Å; V180-H182 PolarHBondContact O-N 3.27Å; H182-V184 PolarHBondContact O-N 2.99Å
183	S	75.6	Confident	81.5	Confident	34 Å²	34	50.8 Å²	50.8	24%	0.238	28%	0.275	C	S	.	.			trans	-68.4	122.3	175.6	-60.4	0	0	0	0	111.3	Y166 L185	Y166-S183 PolarHBondContact N-OG 3.47Å; Y166-S183 PolarHBondContact O-N 3.25Å; Y166-S183 VanDerWaalsContact O-N 3.12Å; S183-L185 PolarHBondContact O-N 2.98Å
184	V	85.5	Confident	82	Confident	28 Å²	28	47.7 Å²	47.7	17%	0.17	26%	0.259	C	S	.	.			trans	-96.8	75	-177.9	-166.8	0	0	0	0	110.3	Y85 I94 E98 H182 R201	Y85-V184 HydrophobicContact CE2-CG1 4.19Å; I94-V184 HydrophobicContact CG2-CB 4.3Å; I94-V184 HydrophobicContact CG2-CG1 3.54Å; I94-V184 HydrophobicContact CG2-CG2 3.76Å; E98-V184 HydrophobicContact CG-CG1 3.48Å; E98-V184 VanDerWaalsContact CG-CG1 3.48Å; H182-V184 PolarHBondContact O-N 2.99Å; V184-R201 HydrophobicContact CB-CG 3.94Å; V184-R201 HydrophobicContact CG1-CG 3.5Å; V184-R201 VanDerWaalsContact CG1-CG 3.5Å
185	L	91.5	Very high	82.9	Confident	39 Å²	39	39.1 Å²	39.1	20%	0.204	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139.7	-178.8	-61	178.8	0	0	0	110.8	Y85 S183 Y187 Y198 Y199 N200	Y85-L185 WeakPolarHBondContact CD2-O 3.26Å; S183-L185 PolarHBondContact O-N 2.98Å; L185-Y187 HydrophobicContact CB-CE1 4.41Å; L185-Y187 HydrophobicContact CB-CE2 3.86Å; L185-Y187 HydrophobicContact CD1-CE1 4.42Å; L185-Y187 WeakPolarHBondContact O-CD2 3.43Å; L185-Y187 VanDerWaalsContact O-CE2 3.25Å; L185-Y187 WeakPolarHBondContact O-CE2 3.4Å; L185-Y198 HydrophobicContact CD1-CD2 3.95Å; L185-Y198 HydrophobicContact CD1-CE2 4.49Å; L185-Y198 HydrophobicContact CD2-CD2 3.93Å; L185-Y198 HydrophobicContact CD2-CE2 4.42Å; L185-Y198 HydrophobicContact CG-CD2 4.47Å; L185-Y199 WeakPolarHBondContact CA-O 3.27Å; L185-N200 HydrophobicContact CD2-CB 3.8Å
186	L	95.6	Very high	83.7	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	134.1	163.9	-57.4	177	0	0	0	108.9	L83 L84 Y85 K101 L102 Y198 Y199 I208	L83-L186 HydrophobicContact CD1-CB 3.99Å; L84-L186 CarbonylContact O-C 3.58Å; L84-L186 WeakPolarHBondContact O-CA 3.17Å; Y85-L186 HydrophobicContact CD2-CD2 3.76Å; Y85-L186 HydrophobicContact CG-CD2 3.94Å; K101-L186 HydrophobicContact CD-CD1 4.47Å; L102-L186 HydrophobicContact CB-CD1 4.47Å; L102-L186 HydrophobicContact CB-CD2 4.26Å; L102-L186 HydrophobicContact CD1-CD2 4.09Å; L186-Y198 CarbonylContact O-C 3.46Å; L186-Y198 WeakPolarHBondContact O-CA 3.48Å; L186-Y199 HydrophobicContact CB-CD2 4.2Å; L186-Y199 PolarHBondContact N-O 2.96Å; L186-Y199 PolarHBondContact O-N 3.39Å; L186-I208 HydrophobicContact CD1-CD1 4.01Å
187	Y	94.8	Very high	84.9	Confident	10 Å²	10	33.6 Å²	33.6	4%	0.039	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.4	-178.3	-57	-97.7	0	0	0	110.1	L83 L84 F86 F163 V165 L185 F195	L83-Y187 WeakPolarHBondContact CA-O 3.47Å; L84-Y187 PolarHBondContact N-O 2.85Å; L84-Y187 PolarHBondContact O-N 2.83Å; F86-Y187 HydrophobicContact CD2-CD2 4.1Å; F86-Y187 AromaticContact CD2-CE2 3.77Å; F86-Y187 HydrophobicContact CD2-CE2 3.77Å; F86-Y187 HydrophobicContact CE2-CD2 4.31Å; F86-Y187 HydrophobicContact CE2-CE2 4.2Å; F163-Y187 HydrophobicContact CB-CE1 4.28Å; F163-Y187 AromaticContact CD1-CD1 3.98Å; F163-Y187 HydrophobicContact CD1-CD1 3.98Å; F163-Y187 HydrophobicContact CD1-CE1 4.49Å; F163-Y187 HydrophobicContact CD1-CG 4.17Å; V165-Y187 HydrophobicContact CG2-CE2 4.45Å; L185-Y187 HydrophobicContact CB-CE1 4.41Å; L185-Y187 HydrophobicContact CB-CE2 3.86Å; L185-Y187 HydrophobicContact CD1-CE1 4.42Å; L185-Y187 WeakPolarHBondContact O-CD2 3.43Å; L185-Y187 VanDerWaalsContact O-CE2 3.25Å; L185-Y187 WeakPolarHBondContact O-CE2 3.4Å; Y187-F195 HydrophobicContact CD1-CD2 4.21Å; Y187-F195 AromaticContact CD1-CE2 3.67Å; Y187-F195 HydrophobicContact CD1-CE2 3.67Å; Y187-F195 HydrophobicContact CG-CE2 4.43Å
188	L	95.7	Very high	85.9	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.8	172.1	-176.8	64.8	0	0	0	109.9	W81 L118 L196 D197 Y199 I212 H215	W81-L188 HydrophobicContact CE3-CD1 3.98Å; W81-L188 HydrophobicContact CE3-CG 4.41Å; W81-L188 HydrophobicContact CZ3-CD1 4.41Å; W81-L188 HydrophobicContact CZ3-CD2 4.2Å; W81-L188 HydrophobicContact CZ3-CG 4.4Å; L118-L188 HydrophobicContact CD1-CD1 4.34Å; L188-L196 HydrophobicContact CD2-CB 4.32Å; L188-L196 HydrophobicContact CD2-CD1 4.42Å; L188-L196 HydrophobicContact CG-CB 4.42Å; L188-L196 PolarHBondContact O-N 3.49Å; L188-D197 HydrophobicContact CB-CB 4.23Å; L188-D197 HydrophobicContact CD2-CB 4.43Å; L188-D197 PolarHBondContact N-O 2.91Å; L188-Y199 HydrophobicContact CB-CE2 4.08Å; L188-I212 HydrophobicContact CD1-CD1 4.23Å; L188-I212 HydrophobicContact CD1-CG1 3.97Å; L188-I212 HydrophobicContact CD1-CG2 4.28Å; L188-I212 HydrophobicContact CD2-CG1 4.09Å; L188-H215 HydrophobicContact CD2-CB 3.86Å; L188-H215 VanDerWaalsContact CD2-CD2 3.41Å; L188-H215 WeakPolarHBondContact CD2-CD2 3.09Å
189	V	93.6	Very high	86.9	Confident	12 Å²	12	35.6 Å²	35.6	7%	0.073	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.7	176.9	-179.9	0	0	0	0	109.6	V82 F163 L194	V82-V189 HydrophobicContact CB-CB 4.09Å; V82-V189 HydrophobicContact CG1-CB 4.44Å; V82-V189 PolarHBondContact N-O 2.99Å; V82-V189 PolarHBondContact O-N 3.32Å; F163-V189 HydrophobicContact CE1-CG2 3.95Å; F163-V189 HydrophobicContact CZ-CG2 4.28Å; V189-L194 CarbonylContact C-O 3.5Å; V189-L194 WeakPolarHBondContact CA-O 3.34Å
190	S	92.9	Very high	88	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.007	17%	0.168	C	C	.	.			trans	-73.1	163.8	179.9	82	0	0	0	0	112.1	D192 G193 L194	S190-D192 PolarHBondContact O-N 3.37Å; S190-D192 VanDerWaalsContact O-N 3.13Å; S190-D192 PolarHBondContact OG-N 3.39Å; S190-D192 VanDerWaalsContact OG-N 3.16Å; S190-D192 PolarHBondContact OG-OD2 3.41Å; S190-G193 WeakPolarHBondContact O-CA 3.38Å; S190-G193 PolarHBondContact O-N 3.47Å; S190-L194 PolarHBondContact N-O 3.44Å; S190-L194 PolarHBondContact OG-N 2.92Å
191	P	93.3	Very high	89	Confident	20 Å²	20	37 Å²	37	13%	0.13	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-26.5	168.8	-29.4	37.8	0	0	0	114.8	L78 G79 R80 W81 G193	L78-P191 WeakPolarHBondContact CA-O 3.15Å; G79-P191 PolarHBondContact N-O 2.88Å; R80-P191 WeakPolarHBondContact O-CA 3.4Å; W81-P191 HydrophobicContact CD2-CG 4.14Å; W81-P191 VanDerWaalsContact CE2-CD 3.48Å; W81-P191 HydrophobicContact CG-CG 4.1Å; W81-P191 HydrophobicContact CZ2-CG 4.27Å; P191-G193 PolarHBondContact O-N 2.91Å
192	D	88.9	Confident	90.1	Very high	51 Å²	51	37.1 Å²	37.1	27%	0.273	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	1	175.8	-40.7	-65.1	0	0	0	112.9	L78 S190 L194 H219 L222	L78-D192 VanDerWaalsContact CD2-C 3.5Å; S190-D192 PolarHBondContact O-N 3.37Å; S190-D192 VanDerWaalsContact O-N 3.13Å; S190-D192 PolarHBondContact OG-N 3.39Å; S190-D192 VanDerWaalsContact OG-N 3.16Å; S190-D192 PolarHBondContact OG-OD2 3.41Å; D192-L194 VanDerWaalsContact C-N 3.34Å; D192-L194 HydrophobicContact CB-CG 4.34Å; D192-H219 IonicContact OD2-CE1 3.87Å; D192-H219 PolarHBondContact OD2-CE1 2.94Å; D192-H219 IonicContact OD2-NE2 2.94Å; D192-L222 HydrophobicContact CB-CD1 3.97Å; D192-L222 PolarHBondContact OD1-N 3.49Å
193	G	88.8	Confident	91	Very high	5 Å²	5	40.2 Å²	40.2	5%	0.052	20%	0.202	C	C	.	.	S	Bend	trans	74.6	23	-175.7	0	0	0	0	0	113.5	K74 S190 P191	K74-G193 WeakPolarHBondContact CE-O 3.35Å; K74-G193 PolarHBondContact NZ-O 2.94Å; S190-G193 WeakPolarHBondContact O-CA 3.38Å; S190-G193 PolarHBondContact O-N 3.47Å; P191-G193 PolarHBondContact O-N 2.91Å
194	L	87.6	Confident	92.1	Very high	21 Å²	21	40.4 Å²	40.4	11%	0.11	20%	0.203	C	C	.	.			trans	-97	137.6	176.9	-64.1	-179.5	0	0	0	111	V49 R53 V189 S190 D192 L196 L222	V49-L194 HydrophobicContact CG1-CD1 4.41Å; R53-L194 HydrophobicContact CG-CD1 3.84Å; R53-L194 HydrophobicContact CG-CD2 4.09Å; V189-L194 CarbonylContact C-O 3.5Å; V189-L194 WeakPolarHBondContact CA-O 3.34Å; S190-L194 PolarHBondContact N-O 3.44Å; S190-L194 PolarHBondContact OG-N 2.92Å; D192-L194 VanDerWaalsContact C-N 3.34Å; D192-L194 HydrophobicContact CB-CG 4.34Å; L194-L196 PolarHBondContact O-N 3.26Å; L194-L222 HydrophobicContact CD1-CD1 3.41Å; L194-L222 VanDerWaalsContact CD1-CD1 3.41Å; L194-L222 HydrophobicContact CG-CD1 4.43Å
195	F	89.3	Confident	92.6	Very high	23 Å²	23	40.6 Å²	40.6	10%	0.101	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	130	168.1	173.4	-102.1	0	0	0	110.5	L57 Y187 D197 Y198	L57-F195 HydrophobicContact CB-CB 4.46Å; L57-F195 HydrophobicContact CB-CD1 4.08Å; L57-F195 HydrophobicContact CB-CG 4.34Å; L57-F195 HydrophobicContact CD1-CD1 4.4Å; L57-F195 HydrophobicContact CD1-CE1 4.24Å; L57-F195 WeakPolarHBondContact O-CB 3.47Å; Y187-F195 HydrophobicContact CD1-CD2 4.21Å; Y187-F195 AromaticContact CD1-CE2 3.67Å; Y187-F195 HydrophobicContact CD1-CE2 3.67Å; Y187-F195 HydrophobicContact CG-CE2 4.43Å; F195-D197 WeakPolarHBondContact CE2-O 3.3Å; F195-Y198 AromaticContact CZ-CD1 3.89Å; F195-Y198 HydrophobicContact CZ-CD1 3.89Å; F195-Y198 HydrophobicContact CZ-CG 4.39Å
196	L	89.3	Confident	92.9	Very high	32 Å²	32	44.2 Å²	44.2	17%	0.168	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	-42.5	-179	-65.7	-177.5	0	0	0	113.3	L52 W81 L188 L194	L52-L196 HydrophobicContact CD1-CD2 3.99Å; W81-L196 HydrophobicContact CE3-CD1 4.47Å; W81-L196 HydrophobicContact CH2-CD1 3.78Å; W81-L196 HydrophobicContact CZ3-CD1 3.43Å; W81-L196 VanDerWaalsContact CZ3-CD1 3.43Å; L188-L196 HydrophobicContact CD2-CB 4.32Å; L188-L196 HydrophobicContact CD2-CD1 4.42Å; L188-L196 HydrophobicContact CG-CB 4.42Å; L188-L196 PolarHBondContact O-N 3.49Å; L194-L196 PolarHBondContact O-N 3.26Å
197	D	91.6	Very high	93	Very high	47 Å²	47	48.8 Å²	48.8	25%	0.251	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	163.2	-171.6	-148.1	-13.1	0	0	0	111.4	L188 F195 Y199 S211 H215	L188-D197 HydrophobicContact CB-CB 4.23Å; L188-D197 HydrophobicContact CD2-CB 4.43Å; L188-D197 PolarHBondContact N-O 2.91Å; F195-D197 WeakPolarHBondContact CE2-O 3.3Å; D197-Y199 HydrophobicContact CB-CE1 4.48Å; D197-S211 PolarHBondContact OD2-OG 2.97Å; D197-H215 IonicContact OD2-CD2 2.85Å; D197-H215 IonicContact OD2-CE1 3.44Å; D197-H215 IonicContact OD2-NE2 3.63Å; D197-H215 PolarHBondContact OD2-NE2 2.98Å
198	Y	92.4	Very high	93.2	Very high	131 Å²	131	48.3 Å²	48.3	51%	0.514	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	151.2	173.3	68.5	-82.2	0	0	0	111.5	L185 L186 F195	L185-Y198 HydrophobicContact CD1-CD2 3.95Å; L185-Y198 HydrophobicContact CD1-CE2 4.49Å; L185-Y198 HydrophobicContact CD2-CD2 3.93Å; L185-Y198 HydrophobicContact CD2-CE2 4.42Å; L185-Y198 HydrophobicContact CG-CD2 4.47Å; L186-Y198 CarbonylContact O-C 3.46Å; L186-Y198 WeakPolarHBondContact O-CA 3.48Å; F195-Y198 AromaticContact CZ-CD1 3.89Å; F195-Y198 HydrophobicContact CZ-CD1 3.89Å; F195-Y198 HydrophobicContact CZ-CG 4.39Å
199	Y	94.3	Very high	93.3	Very high	7 Å²	7	48.5 Å²	48.5	3%	0.027	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.6	-178.1	-47.3	-69	0	0	0	109.5	L83 L185 L186 L188 D197 I208 S211 I212	L83-Y199 HydrophobicContact CD1-CD2 4.23Å; L83-Y199 HydrophobicContact CD1-CE2 4.22Å; L185-Y199 WeakPolarHBondContact CA-O 3.27Å; L186-Y199 HydrophobicContact CB-CD2 4.2Å; L186-Y199 PolarHBondContact N-O 2.96Å; L186-Y199 PolarHBondContact O-N 3.39Å; L188-Y199 HydrophobicContact CB-CE2 4.08Å; D197-Y199 HydrophobicContact CB-CE1 4.48Å; Y199-I208 HydrophobicContact CD1-CG1 4.15Å; Y199-I208 HydrophobicContact CD2-CG1 4.33Å; Y199-I208 HydrophobicContact CD2-CG2 3.7Å; Y199-I208 HydrophobicContact CE2-CG2 3.77Å; Y199-I208 HydrophobicContact CG-CD1 4.47Å; Y199-I208 HydrophobicContact CG-CG1 3.87Å; Y199-I208 HydrophobicContact CG-CG2 4.08Å; Y199-S211 WeakPolarHBondContact CE1-OG 3.41Å; Y199-S211 PolarHBondContact OH-OG 3.31Å; Y199-I212 HydrophobicContact CE2-CD1 4.33Å; Y199-I212 HydrophobicContact CE2-CG1 4.14Å
200	N	92.3	Very high	93.4	Very high	67 Å²	67	51.8 Å²	51.8	36%	0.358	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	172.3	174.8	64.3	7.9	0	0	0	110.8	L185 T202 K203	L185-N200 HydrophobicContact CD2-CB 3.8Å; N200-T202 PolarHBondContact O-N 3.39Å; N200-T202 VanDerWaalsContact O-N 3.08Å; N200-T202 PolarHBondContact OD1-OG1 2.88Å; N200-K203 PolarHBondContact O-N 2.98Å; N200-K203 VanDerWaalsContact O-N 3.12Å
201	R	91.3	Very high	93.6	Very high	107 Å²	107	53.2 Å²	53.2	40%	0.404	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-30.8	-176.6	-58.5	-169.2	69.7	-164.2	-3.3	114.6	D97 E98 K101 V184 K203	D97-R201 IonicContact OD2-NH2 3.92Å; E98-R201 WeakPolarHBondContact OE1-CG 3.32Å; E98-R201 IonicContact OE1-NE 3.11Å; E98-R201 PolarHBondContact OE1-NE 2.76Å; K101-R201 PolarHBondContact NZ-O 2.85Å; V184-R201 HydrophobicContact CB-CG 3.94Å; V184-R201 HydrophobicContact CG1-CG 3.5Å; V184-R201 VanDerWaalsContact CG1-CG 3.5Å; R201-K203 VanDerWaalsContact C-N 3.26Å; R201-K203 PolarHBondContact O-N 2.85Å
202	T	92.8	Very high	93.8	Very high	117 Å²	117	52.2 Å²	52.2	72%	0.718	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-13.3	-175.2	65.3	0	0	0	0	113.5	N200	N200-T202 PolarHBondContact O-N 3.39Å; N200-T202 VanDerWaalsContact O-N 3.08Å; N200-T202 PolarHBondContact OD1-OG1 2.88Å
203	K	94.9	Very high	94.1	Very high	91 Å²	91	52.2 Å²	52.2	40%	0.396	26%	0.259	S	S	.	.	S	Bend	trans	-74.9	128.8	173.3	-68.7	-64.2	-173.2	178.4	0	110.7	N200 R201 Q207 I208	N200-K203 PolarHBondContact O-N 2.98Å; N200-K203 VanDerWaalsContact O-N 3.12Å; R201-K203 VanDerWaalsContact C-N 3.26Å; R201-K203 PolarHBondContact O-N 2.85Å; K203-Q207 HydrophobicContact CD-CB 4.36Å; K203-I208 HydrophobicContact CB-CD1 4.05Å; K203-I208 HydrophobicContact CB-CG1 3.8Å
204	S	97.1	Very high	94.4	Very high	39 Å²	39	56 Å²	56	27%	0.273	28%	0.278	S	S	.	.			trans	-74.2	157.5	173.7	87	0	0	0	0	111.3	E206 Q207 I208	S204-E206 VanDerWaalsContact CB-OE2 3.24Å; S204-E206 WeakPolarHBondContact CB-OE2 3.31Å; S204-E206 PolarHBondContact O-N 3.48Å; S204-E206 PolarHBondContact OG-N 2.95Å; S204-E206 PolarHBondContact OG-OE2 3.4Å; S204-Q207 PolarHBondContact O-N 2.91Å; S204-Q207 WeakPolarHBondContact OG-CG 3.48Å; S204-Q207 PolarHBondContact OG-N 3.43Å; S204-I208 WeakPolarHBondContact O-CG1 3.45Å; S204-I208 PolarHBondContact O-N 2.86Å; S204-I208 VanDerWaalsContact O-N 3.08Å
205	P	97.4	Very high	94.7	Very high	31 Å²	31	57 Å²	57	20%	0.201	28%	0.282	C	S	.	.	H	α-helix	trans	-51.5	-39.8	174.6	-22.7	28.9	0	0	0	113.4	K101 T104 V105 I208 A209	K101-P205 HydrophobicContact CG-CG 3.97Å; T104-P205 HydrophobicContact CG2-CB 3.75Å; T104-P205 HydrophobicContact CG2-CG 4.1Å; V105-P205 HydrophobicContact CG2-CB 4.02Å; V105-P205 WeakPolarHBondContact CG2-O 3.13Å; P205-I208 PolarHBondContact O-N 3.45Å; P205-A209 WeakPolarHBondContact O-CB 3.38Å; P205-A209 PolarHBondContact O-N 2.94Å
206	E	97.4	Very high	94.9	Very high	116 Å²	116	57 Å²	57	54%	0.542	28%	0.282	S	S	.	.	H	α-helix	trans	-66.2	-45	-178.9	-56.8	70.6	-150.6	0	0	110.9	S204 I208 A209 D210	S204-E206 VanDerWaalsContact CB-OE2 3.24Å; S204-E206 WeakPolarHBondContact CB-OE2 3.31Å; S204-E206 PolarHBondContact O-N 3.48Å; S204-E206 PolarHBondContact OG-N 2.95Å; S204-E206 PolarHBondContact OG-OE2 3.4Å; E206-I208 VanDerWaalsContact C-N 3.28Å; E206-I208 PolarHBondContact O-N 3.28Å; E206-A209 PolarHBondContact O-N 3.48Å; E206-D210 WeakPolarHBondContact O-CB 3.35Å; E206-D210 VanDerWaalsContact O-CG 3.32Å; E206-D210 PolarHBondContact O-N 3.04Å
207	Q	97.8	Very high	95	Very high	97 Å²	97	63.2 Å²	63.2	45%	0.453	30%	0.304	S	S	.	.	H	α-helix	trans	-62	-38.6	177.4	-68.6	178	-25.3	0	0	111.8	K203 S204 S211	K203-Q207 HydrophobicContact CD-CB 4.36Å; S204-Q207 PolarHBondContact O-N 2.91Å; S204-Q207 WeakPolarHBondContact OG-CG 3.48Å; S204-Q207 PolarHBondContact OG-N 3.43Å; Q207-S211 WeakPolarHBondContact O-CB 3.43Å; Q207-S211 PolarHBondContact O-N 3.43Å
208	I	97.8	Very high	94.8	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-67.5	-49.9	176.8	-63.3	164.5	0	0	0	109.6	K101 V105 L186 Y199 K203 S204 P205 E206 D210 S211 I212	K101-I208 HydrophobicContact CD-CD1 3.9Å; K101-I208 HydrophobicContact CG-CD1 4.29Å; V105-I208 HydrophobicContact CB-CG2 4.47Å; V105-I208 HydrophobicContact CG1-CG2 3.85Å; V105-I208 HydrophobicContact CG2-CB 3.81Å; V105-I208 HydrophobicContact CG2-CD1 4.3Å; V105-I208 HydrophobicContact CG2-CG2 3.78Å; L186-I208 HydrophobicContact CD1-CD1 4.01Å; Y199-I208 HydrophobicContact CD1-CG1 4.15Å; Y199-I208 HydrophobicContact CD2-CG1 4.33Å; Y199-I208 HydrophobicContact CD2-CG2 3.7Å; Y199-I208 HydrophobicContact CE2-CG2 3.77Å; Y199-I208 HydrophobicContact CG-CD1 4.47Å; Y199-I208 HydrophobicContact CG-CG1 3.87Å; Y199-I208 HydrophobicContact CG-CG2 4.08Å; K203-I208 HydrophobicContact CB-CD1 4.05Å; K203-I208 HydrophobicContact CB-CG1 3.8Å; S204-I208 WeakPolarHBondContact O-CG1 3.45Å; S204-I208 PolarHBondContact O-N 2.86Å; S204-I208 VanDerWaalsContact O-N 3.08Å; P205-I208 PolarHBondContact O-N 3.45Å; E206-I208 VanDerWaalsContact C-N 3.28Å; E206-I208 PolarHBondContact O-N 3.28Å; I208-D210 VanDerWaalsContact C-N 3.32Å; I208-D210 PolarHBondContact O-N 3.4Å; I208-S211 WeakPolarHBondContact O-CB 3.27Å; I208-S211 PolarHBondContact O-N 3.47Å; I208-S211 VanDerWaalsContact O-N 3.16Å; I208-I212 HydrophobicContact CG2-CD1 3.74Å; I208-I212 HydrophobicContact CG2-CG1 4.3Å; I208-I212 WeakPolarHBondContact O-CG1 3.34Å; I208-I212 PolarHBondContact O-N 2.9Å
209	A	97.8	Very high	94.4	Very high	4 Å²	4	61.4 Å²	61.4	3%	0.033	30%	0.301	C	S	.	.	H	α-helix	trans	-58.9	-42.4	179.1	0	0	0	0	0	112	V105 L109 P205 E206 I212 R213	V105-A209 HydrophobicContact CG1-CB 4.42Å; L109-A209 HydrophobicContact CD2-CB 4.08Å; L109-A209 HydrophobicContact CG-CB 4.2Å; P205-A209 WeakPolarHBondContact O-CB 3.38Å; P205-A209 PolarHBondContact O-N 2.94Å; E206-A209 PolarHBondContact O-N 3.48Å; A209-I212 PolarHBondContact O-N 3.38Å; A209-R213 WeakPolarHBondContact O-CB 3.33Å; A209-R213 PolarHBondContact O-N 2.99Å
210	D	97.4	Very high	93.6	Very high	81 Å²	81	64.9 Å²	64.9	43%	0.433	32%	0.323	S	S	.	.	H	α-helix	trans	-64.4	-41.7	176.1	-74.2	-12.4	0	0	0	112.2	E206 I208 R213 N214	E206-D210 WeakPolarHBondContact O-CB 3.35Å; E206-D210 VanDerWaalsContact O-CG 3.32Å; E206-D210 PolarHBondContact O-N 3.04Å; I208-D210 VanDerWaalsContact C-N 3.32Å; I208-D210 PolarHBondContact O-N 3.4Å; D210-R213 PolarHBondContact O-N 3.26Å; D210-R213 IonicContact OD1-CZ 2.66Å; D210-R213 IonicContact OD1-NH1 2.71Å; D210-R213 PolarHBondContact OD1-NH1 2.9Å; D210-N214 VanDerWaalsContact O-CG 3.29Å; D210-N214 PolarHBondContact O-N 3.5Å; D210-N214 PolarHBondContact O-ND2 3.43Å
211	S	96.5	Very high	92.8	Very high	30 Å²	30	66.2 Å²	66.2	21%	0.21	34%	0.336	C	S	.	.	H	α-helix	trans	-60.8	-49.2	173.8	-179	0	0	0	0	111.4	D197 Y199 Q207 I208 R213 N214 H215	D197-S211 PolarHBondContact OD2-OG 2.97Å; Y199-S211 WeakPolarHBondContact CE1-OG 3.41Å; Y199-S211 PolarHBondContact OH-OG 3.31Å; Q207-S211 WeakPolarHBondContact O-CB 3.43Å; Q207-S211 PolarHBondContact O-N 3.43Å; I208-S211 WeakPolarHBondContact O-CB 3.27Å; I208-S211 PolarHBondContact O-N 3.47Å; I208-S211 VanDerWaalsContact O-N 3.16Å; S211-R213 VanDerWaalsContact C-N 3.34Å; S211-R213 PolarHBondContact O-N 3.43Å; S211-N214 WeakPolarHBondContact O-CB 3.36Å; S211-N214 PolarHBondContact O-N 2.95Å; S211-N214 VanDerWaalsContact O-N 3.11Å; S211-H215 PolarHBondContact O-CD2 2.87Å; S211-H215 VanDerWaalsContact O-CD2 3.26Å; S211-H215 PolarHBondContact O-N 3.41Å
212	I	97.2	Very high	91.4	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-61.4	-42.6	178.8	-65.7	173.9	0	0	0	110.8	L83 V105 L109 L118 L188 Y199 I208 A209 N214 H215 I216	L83-I212 HydrophobicContact CD1-CD1 4.24Å; L83-I212 HydrophobicContact CD2-CD1 4.19Å; V105-I212 HydrophobicContact CG1-CD1 3.77Å; L109-I212 HydrophobicContact CD1-CB 3.98Å; L109-I212 HydrophobicContact CD1-CD1 4.17Å; L109-I212 HydrophobicContact CD1-CG2 3.62Å; L118-I212 HydrophobicContact CD2-CD1 3.88Å; L188-I212 HydrophobicContact CD1-CD1 4.23Å; L188-I212 HydrophobicContact CD1-CG1 3.97Å; L188-I212 HydrophobicContact CD1-CG2 4.28Å; L188-I212 HydrophobicContact CD2-CG1 4.09Å; Y199-I212 HydrophobicContact CE2-CD1 4.33Å; Y199-I212 HydrophobicContact CE2-CG1 4.14Å; I208-I212 HydrophobicContact CG2-CD1 3.74Å; I208-I212 HydrophobicContact CG2-CG1 4.3Å; I208-I212 WeakPolarHBondContact O-CG1 3.34Å; I208-I212 PolarHBondContact O-N 2.9Å; A209-I212 PolarHBondContact O-N 3.38Å; I212-N214 VanDerWaalsContact C-N 3.26Å; I212-N214 PolarHBondContact O-N 3.09Å; I212-H215 PolarHBondContact O-N 3.06Å; I212-H215 VanDerWaalsContact O-N 3.11Å; I212-I216 HydrophobicContact CG2-CD1 3.76Å; I212-I216 HydrophobicContact CG2-CG1 4.27Å; I212-I216 WeakPolarHBondContact O-CG1 3.24Å; I212-I216 PolarHBondContact O-N 2.97Å
213	R	96.1	Very high	91.4	Very high	50 Å²	50	64.4 Å²	64.4	19%	0.189	33%	0.328	C	S	.	.	H	α-helix	trans	-59.2	-39.6	176.2	-166.6	-178.1	-60.3	103	-2.3	111.5	L109 L115 A209 D210 S211 R217	L109-R213 HydrophobicContact CD2-CB 4.42Å; L115-R213 HydrophobicContact CD1-CG 3.98Å; L115-R213 HydrophobicContact CD2-CG 4.08Å; A209-R213 WeakPolarHBondContact O-CB 3.33Å; A209-R213 PolarHBondContact O-N 2.99Å; D210-R213 PolarHBondContact O-N 3.26Å; D210-R213 IonicContact OD1-CZ 2.66Å; D210-R213 IonicContact OD1-NH1 2.71Å; D210-R213 PolarHBondContact OD1-NH1 2.9Å; S211-R213 VanDerWaalsContact C-N 3.34Å; S211-R213 PolarHBondContact O-N 3.43Å; R213-R217 WeakPolarHBondContact O-CB 3.4Å; R213-R217 VanDerWaalsContact O-CG 3.29Å; R213-R217 WeakPolarHBondContact O-CG 3.28Å; R213-R217 PolarHBondContact O-N 3Å
214	N	93.8	Very high	91.2	Very high	84 Å²	84	62.9 Å²	62.9	45%	0.449	32%	0.324	S	S	.	.	H	α-helix	trans	-67.9	-40	175.5	-71.9	-30.8	0	0	0	112.2	D210 S211 I212 N218	D210-N214 VanDerWaalsContact O-CG 3.29Å; D210-N214 PolarHBondContact O-N 3.5Å; D210-N214 PolarHBondContact O-ND2 3.43Å; S211-N214 WeakPolarHBondContact O-CB 3.36Å; S211-N214 PolarHBondContact O-N 2.95Å; S211-N214 VanDerWaalsContact O-N 3.11Å; I212-N214 VanDerWaalsContact C-N 3.26Å; I212-N214 PolarHBondContact O-N 3.09Å; N214-N218 WeakPolarHBondContact O-CB 3.34Å; N214-N218 PolarHBondContact O-N 2.91Å; N214-N218 VanDerWaalsContact O-N 3.15Å; N214-N218 PolarHBondContact O-ND2 2.82Å
215	H	94.1	Very high	90.9	Very high	42 Å²	42	64.3 Å²	64.3	19%	0.194	33%	0.327	C	S	.	.	H	α-helix	trans	-61.6	-47.3	173.4	-78.8	-68.6	0	0	0	111.3	W81 L188 D197 S211 I212 R217 N218 H219	W81-H215 HydrophobicContact CH2-CB 4.03Å; W81-H215 HydrophobicContact CZ3-CB 3.9Å; L188-H215 HydrophobicContact CD2-CB 3.86Å; L188-H215 VanDerWaalsContact CD2-CD2 3.41Å; L188-H215 WeakPolarHBondContact CD2-CD2 3.09Å; D197-H215 IonicContact OD2-CD2 2.85Å; D197-H215 IonicContact OD2-CE1 3.44Å; D197-H215 IonicContact OD2-NE2 3.63Å; D197-H215 PolarHBondContact OD2-NE2 2.98Å; S211-H215 PolarHBondContact O-CD2 2.87Å; S211-H215 VanDerWaalsContact O-CD2 3.26Å; S211-H215 PolarHBondContact O-N 3.41Å; I212-H215 PolarHBondContact O-N 3.06Å; I212-H215 VanDerWaalsContact O-N 3.11Å; H215-R217 PolarHBondContact O-N 3.15Å; H215-N218 CarbonylContact O-C 3.58Å; H215-N218 PolarHBondContact O-N 3.29Å; H215-H219 WeakPolarHBondContact O-CB 3.33Å; H215-H219 PolarHBondContact O-N 2.93Å
216	I	94	Very high	90.5	Very high	23 Å²	23	66.2 Å²	66.2	12%	0.118	34%	0.335	C	S	.	.	H	α-helix	trans	-57	-51.7	177.5	-70.4	167.3	0	0	0	111.4	W81 L115 P116 I212 N218 H219	W81-I216 HydrophobicContact CD2-CG1 3.76Å; W81-I216 HydrophobicContact CE3-CG1 4.13Å; W81-I216 HydrophobicContact CG-CG1 4.25Å; W81-I216 HydrophobicContact CH2-CG1 4.16Å; W81-I216 HydrophobicContact CZ2-CB 4.24Å; W81-I216 HydrophobicContact CZ2-CG1 3.82Å; W81-I216 HydrophobicContact CZ3-CG1 4.29Å; L115-I216 HydrophobicContact CD2-CG2 4.02Å; P116-I216 HydrophobicContact CG-CD1 4.12Å; P116-I216 HydrophobicContact CG-CG1 4.28Å; P116-I216 HydrophobicContact CG-CG2 3.84Å; I212-I216 HydrophobicContact CG2-CD1 3.76Å; I212-I216 HydrophobicContact CG2-CG1 4.27Å; I212-I216 WeakPolarHBondContact O-CG1 3.24Å; I212-I216 PolarHBondContact O-N 2.97Å; I216-N218 PolarHBondContact O-N 3.2Å; I216-H219 WeakPolarHBondContact O-CB 3.46Å; I216-H219 PolarHBondContact O-N 3.29Å
217	R	91	Very high	90	Very high	164 Å²	164	63.1 Å²	63.1	62%	0.619	32%	0.322	S	S	*	.	H	α-helix	trans	-63.8	-29.2	-177.3	-74.6	174.2	176.3	176.3	-2	113.4	R213 H215	R213-R217 WeakPolarHBondContact O-CB 3.4Å; R213-R217 VanDerWaalsContact O-CG 3.29Å; R213-R217 WeakPolarHBondContact O-CG 3.28Å; R213-R217 PolarHBondContact O-N 3Å; H215-R217 PolarHBondContact O-N 3.15Å
218	N	86.7	Confident	89.5	Confident	93 Å²	93	60.9 Å²	60.9	50%	0.497	31%	0.313	S	S	.	.	H	α-helix	trans	-101.3	-0.2	-177.8	-66.2	-59.4	0	0	0	113.3	N214 H215 I216 V220	N214-N218 WeakPolarHBondContact O-CB 3.34Å; N214-N218 PolarHBondContact O-N 2.91Å; N214-N218 VanDerWaalsContact O-N 3.15Å; N214-N218 PolarHBondContact O-ND2 2.82Å; H215-N218 CarbonylContact O-C 3.58Å; H215-N218 PolarHBondContact O-N 3.29Å; I216-N218 PolarHBondContact O-N 3.2Å; N218-V220 PolarHBondContact O-N 2.99Å
219	H	85.4	Confident	88.9	Confident	46 Å²	46	65.2 Å²	65.2	21%	0.213	34%	0.335	C	S	.	.			trans	-67	128.8	-178.9	-174.7	59.3	0	0	0	110.2	W81 D192 H215 I216	W81-H219 HydrophobicContact CH2-CB 3.76Å; W81-H219 AromaticContact CH2-CG 3.82Å; W81-H219 AromaticContact CH2-ND1 3.99Å; W81-H219 HydrophobicContact CZ2-CB 3.47Å; W81-H219 VanDerWaalsContact CZ2-CB 3.47Å; W81-H219 AromaticContact CZ2-CD2 3.75Å; W81-H219 AromaticContact CZ2-CG 3.46Å; W81-H219 VanDerWaalsContact CZ2-CG 3.46Å; D192-H219 IonicContact OD2-CE1 3.87Å; D192-H219 PolarHBondContact OD2-CE1 2.94Å; D192-H219 IonicContact OD2-NE2 2.94Å; H215-H219 WeakPolarHBondContact O-CB 3.33Å; H215-H219 PolarHBondContact O-N 2.93Å; I216-H219 WeakPolarHBondContact O-CB 3.46Å; I216-H219 PolarHBondContact O-N 3.29Å
220	V	77.6	Confident	88.2	Confident	81 Å²	81	69.9 Å²	69.9	49%	0.491	36%	0.358	S	S	.	.			trans	-112.7	111.2	171.6	-179	0	0	0	0	105.3	N218	N218-V220 PolarHBondContact O-N 2.99Å
221	P	74.3	Confident	87.5	Confident	95 Å²	95	69 Å²	69	62%	0.617	35%	0.352	S	S	*	.			trans	-55.5	147.6	176.3	-23.8	33.4	0	0	0	110.8
222	L	63	Low	86.7	Confident	120 Å²	120	72.5 Å²	72.5	63%	0.628	37%	0.365	S	S	*	.			trans	-83.5	0	179	-80.3	167.3	0	0	0	113.4	V49 D192 L194	V49-L222 HydrophobicContact CG1-CD1 3.95Å; V49-L222 HydrophobicContact CG1-CD2 3.63Å; V49-L222 HydrophobicContact CG1-CG 4.05Å; D192-L222 HydrophobicContact CB-CD1 3.97Å; D192-L222 PolarHBondContact OD1-N 3.49Å; L194-L222 HydrophobicContact CD1-CD1 3.41Å; L194-L222 VanDerWaalsContact CD1-CD1 3.41Å; L194-L222 HydrophobicContact CG-CD1 4.43Å

Retrieved 222 of 222 residues in 270.2 ms (Link to these results)

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