A0A077Z3X6_TRITR Loading...

Photoreceptor-specific nuclear receptor

AlphaFold DB , UniProt , Accession A0A077Z3X6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 180 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	F	31.8	Very low	37.6	Very low	237 Å²	237	138.8 Å²	138.8	100%	1.039	72%	0.721	S	S	*	*				0	103.7	0	-127.3	-101.8	0	0	0	107.5	F3	F1-F3 HydrophobicContact CD1-CD2 4.23Å; F1-F3 AromaticContact CD1-CE2 3.86Å; F1-F3 HydrophobicContact CD1-CE2 3.86Å; F1-F3 HydrophobicContact CE1-CE2 4.43Å; F1-F3 PolarHBondContact O-N 3.18Å; F1-F3 VanDerWaalsContact O-N 3.14Å
2	V	33.7	Very low	37.8	Very low	139 Å²	139	141.4 Å²	141.4	84%	0.842	73%	0.727	S	S	*	*			trans	-78.5	96.3	-175.9	178.7	0	0	0	0	108.3	R4	V2-R4 PolarHBondContact O-N 3.3Å
3	F	33.3	Very low	38	Very low	161 Å²	161	141.4 Å²	141.4	71%	0.706	73%	0.728	S	S	*	*			trans	-81.8	102.2	167.8	-97.4	-86.5	0	0	0	108.7	F1 I5	F1-F3 HydrophobicContact CD1-CD2 4.23Å; F1-F3 AromaticContact CD1-CE2 3.86Å; F1-F3 HydrophobicContact CD1-CE2 3.86Å; F1-F3 HydrophobicContact CE1-CE2 4.43Å; F1-F3 PolarHBondContact O-N 3.18Å; F1-F3 VanDerWaalsContact O-N 3.14Å; F3-I5 VanDerWaalsContact C-N 3.3Å; F3-I5 HydrophobicContact CB-CG1 4.39Å; F3-I5 PolarHBondContact O-N 3.33Å
4	R	29.8	Very low	38.4	Very low	242 Å²	242	138.6 Å²	138.6	91%	0.913	72%	0.721	S	S	*	*			trans	-67.2	91	161.8	-88.5	-173.6	170.1	-176.5	-1.8	108.1	V2	V2-R4 PolarHBondContact O-N 3.3Å
5	I	39.3	Very low	38.3	Very low	116 Å²	116	135.3 Å²	135.3	60%	0.595	71%	0.713	S	S	*	*			trans	-95	108.4	163.8	-62.9	173.2	0	0	0	106.2	F3 T7	F3-I5 VanDerWaalsContact C-N 3.3Å; F3-I5 HydrophobicContact CB-CG1 4.39Å; F3-I5 PolarHBondContact O-N 3.33Å; I5-T7 PolarHBondContact O-N 2.98Å; I5-T7 VanDerWaalsContact O-N 3.14Å
6	S	37.1	Very low	38.4	Very low	87 Å²	87	130.8 Å²	130.8	61%	0.608	71%	0.709	S	S	*	*			trans	-51.1	118.1	175.3	-66.3	0	0	0	0	109.8	V8	S6-V8 PolarHBondContact O-N 2.87Å
7	T	43.9	Very low	38.7	Very low	119 Å²	119	130.6 Å²	130.6	73%	0.73	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	8.3	-177.6	41.3	0	0	0	0	114.8	I5	I5-T7 PolarHBondContact O-N 2.98Å; I5-T7 VanDerWaalsContact O-N 3.14Å
8	V	40.3	Very low	38.9	Very low	111 Å²	111	129.4 Å²	129.4	67%	0.673	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-15.7	-170.3	-178.3	0	0	0	0	112.4	S6	S6-V8 PolarHBondContact O-N 2.87Å
9	T	41.3	Very low	38.8	Very low	87 Å²	87	127.2 Å²	127.2	53%	0.534	71%	0.71	S	S	.	*	S	Bend	trans	-101.2	-11.8	-174.2	47.4	0	0	0	0	115.2	L13	T9-L13 VanDerWaalsContact O-CD1 3.29Å; T9-L13 WeakPolarHBondContact O-CD1 3.43Å
10	L	41.6	Very low	38.8	Very low	121 Å²	121	127.7 Å²	127.7	63%	0.634	71%	0.71	S	S	*	*	S	Bend	trans	-84.8	-17.6	-174.1	-99	152.3	0	0	0	114.7
11	T	42.3	Very low	38.7	Very low	107 Å²	107	129.3 Å²	129.3	66%	0.656	72%	0.718	S	S	*	*	S	Bend	trans	-82.4	-14.1	178.4	27.7	0	0	0	0	114.1
12	Q	38.9	Very low	38.7	Very low	170 Å²	170	122.8 Å²	122.8	79%	0.794	70%	0.7	S	S	*	*	S	Bend	trans	-90.3	-18.8	178.7	-73.4	-168.9	-15.9	0	0	114.2
13	L	41.2	Very low	38.7	Very low	141 Å²	141	122.6 Å²	122.6	74%	0.738	70%	0.699	S	S	*	*	S	Bend	trans	-85.8	-11.8	-176.9	-81.4	108.1	0	0	0	114.8	T9	T9-L13 VanDerWaalsContact O-CD1 3.29Å; T9-L13 WeakPolarHBondContact O-CD1 3.43Å
14	T	43.1	Very low	38.6	Very low	103 Å²	103	122.4 Å²	122.4	63%	0.632	71%	0.705	S	S	*	*	S	Bend	trans	-102.2	-10	-174.3	55.6	0	0	0	0	114.1
15	C	36.6	Very low	38.8	Very low	89 Å²	89	115.8 Å²	115.8	60%	0.601	70%	0.701	S	S	*	*	S	Bend	trans	-98.8	11.6	-170	-143.7	0	0	0	0	114.8
16	G	40.6	Very low	38.6	Very low	62 Å²	62	119 Å²	119	64%	0.639	71%	0.714	S	S	*	*	S	Bend	trans	-89.7	-7.1	-166.3	0	0	0	0	0	118.4
17	H	43.7	Very low	38.3	Very low	128 Å²	128	117.9 Å²	117.9	59%	0.593	72%	0.716	S	S	*	*	S	Bend	trans	-153.6	13.7	-167.8	-118.7	-84.2	0	0	0	119.7	Y159	H17-Y159 PolarHBondContact CE1-OH 3.12Å; H17-Y159 PolarHBondContact NE2-OH 2.85Å
18	V	42.4	Very low	37.8	Very low	110 Å²	110	119.8 Å²	119.8	67%	0.667	72%	0.722	S	S	*	*			trans	-138.2	113.2	171.6	-171.9	0	0	0	0	108.5	L20	V18-L20 HydrophobicContact CG1-CD1 4.09Å; V18-L20 PolarHBondContact O-N 3.14Å
19	G	36.4	Very low	37.7	Very low	86 Å²	86	120.6 Å²	120.6	89%	0.887	73%	0.733	S	S	*	*			trans	-65.2	71.6	175.6	0	0	0	0	0	112.9
20	L	40	Very low	37.5	Very low	138 Å²	138	122.1 Å²	122.1	72%	0.723	74%	0.741	S	S	*	*			trans	-109.5	118.4	158.8	-105	77.4	0	0	0	106.8	V18 C22	V18-L20 HydrophobicContact CG1-CD1 4.09Å; V18-L20 PolarHBondContact O-N 3.14Å; L20-C22 PolarHBondContact O-N 2.94Å
21	N	35.7	Very low	37.4	Very low	162 Å²	162	122.3 Å²	122.3	87%	0.866	74%	0.743	S	S	*	*			trans	-52.4	108.7	175	-64.2	-51.7	0	0	0	110.2	V23	N21-V23 PolarHBondContact O-N 3.08Å; N21-V23 VanDerWaalsContact O-N 3.08Å
22	C	32.1	Very low	37.5	Very low	100 Å²	100	125.1 Å²	125.1	68%	0.676	75%	0.746	S	S	*	*			trans	-68.8	101.2	167.4	-78.9	0	0	0	0	108.4	L20 L24	L20-C22 PolarHBondContact O-N 2.94Å; C22-L24 PolarHBondContact O-N 2.79Å
23	V	33.9	Very low	37.9	Very low	134 Å²	134	120.8 Å²	120.8	81%	0.812	74%	0.74	S	S	*	*			trans	-72.8	112.5	164	176.8	0	0	0	0	106.9	N21 A25	N21-V23 PolarHBondContact O-N 3.08Å; N21-V23 VanDerWaalsContact O-N 3.08Å; V23-A25 PolarHBondContact O-N 3Å
24	L	31.5	Very low	38.5	Very low	158 Å²	158	118 Å²	118	83%	0.827	73%	0.726	S	S	*	*			trans	-58.9	118.6	171.2	-70.3	161.3	0	0	0	108.8	C22	C22-L24 PolarHBondContact O-N 2.79Å
25	A	32.4	Very low	39.4	Very low	102 Å²	102	115.5 Å²	115.5	84%	0.843	71%	0.712	S	S	*	*			trans	-98.6	104.8	161.4	0	0	0	0	0	107.3	V23	V23-A25 PolarHBondContact O-N 3Å
26	E	35	Very low	40.7	Very low	184 Å²	184	115.5 Å²	115.5	86%	0.86	71%	0.705	S	S	*	*			trans	-65.4	139.8	173.3	-63.9	-177.5	154.6	0	0	110.7
27	G	31.4	Very low	41.8	Very low	63 Å²	63	117.6 Å²	117.6	65%	0.649	70%	0.701	S	S	*	*			trans	64.4	97.2	151.2	0	0	0	0	0	117.6
28	N	33.7	Very low	42.8	Very low	159 Å²	159	118.5 Å²	118.5	85%	0.85	70%	0.704	S	S	*	*			trans	-168.4	132	135.2	-90.6	-32.8	0	0	0	110.8	V30	N28-V30 WeakPolarHBondContact O-CG2 3.39Å; N28-V30 PolarHBondContact O-N 3Å
29	S	37.7	Very low	43.8	Very low	129 Å²	129	116.3 Å²	116.3	90%	0.902	69%	0.69	S	S	*	*			trans	-65.9	107	177.9	-57.1	0	0	0	0	110.8
30	V	37.7	Very low	45.1	Very low	118 Å²	118	114.1 Å²	114.1	72%	0.715	66%	0.66	S	S	*	*			trans	-99.1	122.7	178.1	-123.5	0	0	0	0	110.7	N28 N34	N28-V30 WeakPolarHBondContact O-CG2 3.39Å; N28-V30 PolarHBondContact O-N 3Å; V30-N34 HydrophobicContact CG1-CB 4.32Å
31	N	38.3	Very low	46.4	Very low	125 Å²	125	111.5 Å²	111.5	67%	0.668	65%	0.646	S	S	*	*			trans	-55.8	142.9	-178.6	-69.6	-54.8	0	0	0	113.4	A33 N34	N31-A33 PolarHBondContact O-N 3.42Å; N31-N34 WeakPolarHBondContact O-CB 3.15Å; N31-N34 PolarHBondContact O-N 3.34Å
32	F	44.5	Very low	47.8	Very low	166 Å²	166	109 Å²	109	73%	0.728	63%	0.627	S	S	*	*	H	α-helix	trans	-56.2	-19	-172.5	-153.9	-92.1	0	0	0	115.6	S35	F32-S35 PolarHBondContact O-OG 3.14Å
33	A	48.4	Very low	49.2	Very low	79 Å²	79	107.8 Å²	107.8	65%	0.653	61%	0.611	S	S	*	*	H	α-helix	trans	-74.1	-31.7	173.2	0	0	0	0	0	112.4	N31 S35	N31-A33 PolarHBondContact O-N 3.42Å; A33-S35 VanDerWaalsContact C-N 3.35Å
34	N	53.2	Low	50.5	Low	84 Å²	84	107 Å²	107	45%	0.449	60%	0.597	S	S	.	*	H	α-helix	trans	-76.5	-24.2	177.6	-66.6	-45	0	0	0	112	V30 N31 F38	V30-N34 HydrophobicContact CG1-CB 4.32Å; N31-N34 WeakPolarHBondContact O-CB 3.15Å; N31-N34 PolarHBondContact O-N 3.34Å; N34-F38 WeakPolarHBondContact O-CB 3.19Å; N34-F38 PolarHBondContact O-N 2.87Å
35	S	62	Low	51.8	Low	50 Å²	50	105.2 Å²	105.2	35%	0.35	59%	0.587	S	S	.	*	H	α-helix	trans	-70.6	-37.7	179.4	60.8	0	0	0	0	112.1	F32 A33 V39	F32-S35 PolarHBondContact O-OG 3.14Å; A33-S35 VanDerWaalsContact C-N 3.35Å; S35-V39 WeakPolarHBondContact O-CB 3.12Å; S35-V39 WeakPolarHBondContact O-CG2 3.36Å; S35-V39 PolarHBondContact O-N 3.39Å
36	I	64.7	Low	53.1	Low	88 Å²	88	103.2 Å²	103.2	45%	0.451	56%	0.564	S	S	.	*	H	α-helix	trans	-67.3	-48.2	176.7	-61.3	174.8	0	0	0	110.2	F38 V39 V40	I36-F38 VanDerWaalsContact C-N 3.31Å; I36-F38 PolarHBondContact O-N 3.28Å; I36-V39 PolarHBondContact O-N 2.87Å; I36-V40 HydrophobicContact CG2-CG2 4.24Å; I36-V40 WeakPolarHBondContact O-CB 3.29Å; I36-V40 WeakPolarHBondContact O-CG2 3.2Å; I36-V40 PolarHBondContact O-N 2.75Å
37	L	63.1	Low	53.8	Low	106 Å²	106	95 Å²	95	56%	0.555	53%	0.528	S	S	*	.	H	α-helix	trans	-62.2	-40	178.5	-173.2	63.4	0	0	0	111.4	V40 I41	L37-V40 PolarHBondContact O-N 2.95Å; L37-I41 HydrophobicContact CD1-CD1 4.09Å; L37-I41 HydrophobicContact CD1-CG1 4.36Å; L37-I41 HydrophobicContact CD2-CD1 4.44Å; L37-I41 HydrophobicContact CG-CD1 3.78Å; L37-I41 HydrophobicContact CG-CG1 4.44Å; L37-I41 WeakPolarHBondContact O-CB 3.35Å; L37-I41 WeakPolarHBondContact O-CG1 3.32Å; L37-I41 PolarHBondContact O-N 2.92Å
38	F	63.9	Low	54.7	Low	147 Å²	147	98 Å²	98	65%	0.645	53%	0.529	S	S	*	.	H	α-helix	trans	-65.3	-42.9	176.7	-167.3	-94.8	0	0	0	112.3	N34 I36 F42	N34-F38 WeakPolarHBondContact O-CB 3.19Å; N34-F38 PolarHBondContact O-N 2.87Å; I36-F38 VanDerWaalsContact C-N 3.31Å; I36-F38 PolarHBondContact O-N 3.28Å; F38-F42 WeakPolarHBondContact O-CB 3.18Å; F38-F42 PolarHBondContact O-N 2.86Å
39	V	63.6	Low	55.6	Low	64 Å²	64	100.3 Å²	100.3	39%	0.388	53%	0.526	S	S	.	.	H	α-helix	trans	-63	-46.5	175.3	171	0	0	0	0	110.2	S35 I36 F42 F43	S35-V39 WeakPolarHBondContact O-CB 3.12Å; S35-V39 WeakPolarHBondContact O-CG2 3.36Å; S35-V39 PolarHBondContact O-N 3.39Å; I36-V39 PolarHBondContact O-N 2.87Å; V39-F42 PolarHBondContact O-N 3.47Å; V39-F43 HydrophobicContact CG1-CD2 3.64Å; V39-F43 HydrophobicContact CG1-CE2 3.76Å; V39-F43 WeakPolarHBondContact O-CB 3.32Å; V39-F43 VanDerWaalsContact O-CD2 3.28Å; V39-F43 WeakPolarHBondContact O-CD2 3.17Å; V39-F43 PolarHBondContact O-N 2.85Å
40	V	65.4	Low	56.1	Low	40 Å²	40	96.7 Å²	96.7	24%	0.242	50%	0.5	C	S	.	.	H	α-helix	trans	-60.8	-48.5	178.3	173.3	0	0	0	0	111	I36 L37 F42 F43 F44	I36-V40 HydrophobicContact CG2-CG2 4.24Å; I36-V40 WeakPolarHBondContact O-CB 3.29Å; I36-V40 WeakPolarHBondContact O-CG2 3.2Å; I36-V40 PolarHBondContact O-N 2.75Å; L37-V40 PolarHBondContact O-N 2.95Å; V40-F42 PolarHBondContact O-N 3.3Å; V40-F43 PolarHBondContact O-N 2.87Å; V40-F44 HydrophobicContact CG1-CD2 3.6Å; V40-F44 HydrophobicContact CG1-CE2 3.53Å; V40-F44 WeakPolarHBondContact O-CD2 3.41Å; V40-F44 PolarHBondContact O-N 3.46Å
41	I	65.8	Low	56.7	Low	83 Å²	83	94 Å²	94	43%	0.426	49%	0.487	S	S	.	.	H	α-helix	trans	-61.3	-44.1	176.8	-69.6	168.5	0	0	0	111	L37 F43 F44 L45	L37-I41 HydrophobicContact CD1-CD1 4.09Å; L37-I41 HydrophobicContact CD1-CG1 4.36Å; L37-I41 HydrophobicContact CD2-CD1 4.44Å; L37-I41 HydrophobicContact CG-CD1 3.78Å; L37-I41 HydrophobicContact CG-CG1 4.44Å; L37-I41 WeakPolarHBondContact O-CB 3.35Å; L37-I41 WeakPolarHBondContact O-CG1 3.32Å; L37-I41 PolarHBondContact O-N 2.92Å; I41-F43 VanDerWaalsContact C-N 3.35Å; I41-F43 PolarHBondContact O-N 3.47Å; I41-F44 PolarHBondContact O-N 3.25Å; I41-L45 HydrophobicContact CG2-CD1 3.7Å; I41-L45 HydrophobicContact CG2-CG 4.16Å; I41-L45 WeakPolarHBondContact O-CB 3.28Å; I41-L45 WeakPolarHBondContact O-CG 3.42Å; I41-L45 PolarHBondContact O-N 2.91Å
42	F	65.3	Low	57.3	Low	109 Å²	109	95.4 Å²	95.4	48%	0.478	49%	0.494	S	S	.	.	H	α-helix	trans	-62.5	-42.6	178.1	-164	-94.1	0	0	0	111.3	F38 V39 V40 V46	F38-F42 WeakPolarHBondContact O-CB 3.18Å; F38-F42 PolarHBondContact O-N 2.86Å; V39-F42 PolarHBondContact O-N 3.47Å; V40-F42 PolarHBondContact O-N 3.3Å; F42-V46 HydrophobicContact CD1-CG2 4Å; F42-V46 HydrophobicContact CE1-CG2 3.84Å; F42-V46 HydrophobicContact CZ-CG2 4.25Å; F42-V46 WeakPolarHBondContact O-CB 3.42Å; F42-V46 WeakPolarHBondContact O-CG2 3.18Å; F42-V46 PolarHBondContact O-N 3.29Å
43	F	62.3	Low	57.5	Low	76 Å²	76	92.6 Å²	92.6	33%	0.333	48%	0.479	S	S	.	.	H	α-helix	trans	-61.9	-42.9	173.8	-95.3	-81.9	0	0	0	112.4	V39 V40 I41 A47	V39-F43 HydrophobicContact CG1-CD2 3.64Å; V39-F43 HydrophobicContact CG1-CE2 3.76Å; V39-F43 WeakPolarHBondContact O-CB 3.32Å; V39-F43 VanDerWaalsContact O-CD2 3.28Å; V39-F43 WeakPolarHBondContact O-CD2 3.17Å; V39-F43 PolarHBondContact O-N 2.85Å; V40-F43 PolarHBondContact O-N 2.87Å; I41-F43 VanDerWaalsContact C-N 3.35Å; I41-F43 PolarHBondContact O-N 3.47Å; F43-A47 WeakPolarHBondContact O-CB 3.42Å; F43-A47 PolarHBondContact O-N 3.38Å
44	F	61.6	Low	57.4	Low	118 Å²	118	98.5 Å²	98.5	52%	0.518	48%	0.484	S	S	.	.	H	α-helix	trans	-67.2	-44.7	177.4	-84.1	-72.4	0	0	0	112.4	V40 I41 V46 A47 D48	V40-F44 HydrophobicContact CG1-CD2 3.6Å; V40-F44 HydrophobicContact CG1-CE2 3.53Å; V40-F44 WeakPolarHBondContact O-CD2 3.41Å; V40-F44 PolarHBondContact O-N 3.46Å; I41-F44 PolarHBondContact O-N 3.25Å; F44-V46 PolarHBondContact O-N 3.26Å; F44-A47 PolarHBondContact O-N 3.38Å; F44-D48 PolarHBondContact O-N 3.12Å; F44-D48 VanDerWaalsContact O-N 3.12Å
45	L	57.8	Low	57	Low	120 Å²	120	98.4 Å²	98.4	63%	0.628	50%	0.503	S	S	*	.	H	α-helix	trans	-67	-35.1	178.9	-69.9	176.4	0	0	0	112.8	I41	I41-L45 HydrophobicContact CG2-CD1 3.7Å; I41-L45 HydrophobicContact CG2-CG 4.16Å; I41-L45 WeakPolarHBondContact O-CB 3.28Å; I41-L45 WeakPolarHBondContact O-CG 3.42Å; I41-L45 PolarHBondContact O-N 2.91Å
46	V	59.1	Low	56.5	Low	59 Å²	59	101.4 Å²	101.4	36%	0.358	51%	0.511	S	S	.	.	H	α-helix	trans	-74.2	-36.7	175	174.9	0	0	0	0	111	F42 F44 D48 R49	F42-V46 HydrophobicContact CD1-CG2 4Å; F42-V46 HydrophobicContact CE1-CG2 3.84Å; F42-V46 HydrophobicContact CZ-CG2 4.25Å; F42-V46 WeakPolarHBondContact O-CB 3.42Å; F42-V46 WeakPolarHBondContact O-CG2 3.18Å; F42-V46 PolarHBondContact O-N 3.29Å; F44-V46 PolarHBondContact O-N 3.26Å; V46-D48 PolarHBondContact O-N 3.47Å; V46-R49 PolarHBondContact O-N 3.48Å
47	A	50.4	Low	55.6	Low	13 Å²	13	101.9 Å²	101.9	11%	0.107	51%	0.508	C	S	.	.	H	α-helix	trans	-67.4	-31.6	179.1	0	0	0	0	0	113.7	F43 F44 R49 C50	F43-A47 WeakPolarHBondContact O-CB 3.42Å; F43-A47 PolarHBondContact O-N 3.38Å; F44-A47 PolarHBondContact O-N 3.38Å; A47-R49 PolarHBondContact O-N 3.3Å; A47-C50 PolarHBondContact O-N 2.95Å
48	D	49.8	Very low	54.7	Low	125 Å²	125	100.6 Å²	100.6	67%	0.668	51%	0.506	S	S	*	.	H	α-helix	trans	-64.3	-23.8	179.9	-120.2	-29.4	0	0	0	113	F44 V46	F44-D48 PolarHBondContact O-N 3.12Å; F44-D48 VanDerWaalsContact O-N 3.12Å; V46-D48 PolarHBondContact O-N 3.47Å
49	R	52.2	Low	53.8	Low	208 Å²	208	98.4 Å²	98.4	79%	0.785	51%	0.507	S	S	*	.	H	α-helix	trans	-75.5	-19.9	173	-77.8	-171.8	-174.9	-174	2.8	114.3	V46 A47	V46-R49 PolarHBondContact O-N 3.48Å; A47-R49 PolarHBondContact O-N 3.3Å
50	C	48.5	Very low	53.2	Low	53 Å²	53	99.9 Å²	99.9	36%	0.358	53%	0.525	S	S	.	.	H	α-helix	trans	-80.3	-28.4	-179.8	-88.3	0	0	0	0	112.9	A47 N52	A47-C50 PolarHBondContact O-N 2.95Å; C50-N52 PolarHBondContact O-N 3.5Å
51	S	51.8	Low	52.3	Low	62 Å²	62	103 Å²	103	43%	0.434	55%	0.55	S	S	.	.	H	α-helix	trans	-72.8	-28.7	-176.1	-147.9	0	0	0	0	112.9	R53 R54	S51-R53 PolarHBondContact O-N 3.07Å; S51-R54 PolarHBondContact OG-NH2 3.44Å
52	N	49.1	Very low	51.3	Low	154 Å²	154	106.4 Å²	106.4	82%	0.824	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	6	-170.8	-144.4	10	0	0	0	115.3	C50	C50-N52 PolarHBondContact O-N 3.5Å
53	R	49.4	Very low	50.6	Low	106 Å²	106	107.6 Å²	107.6	40%	0.4	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.1	6.4	178.4	-90.8	-157.4	-81.2	-157.3	0.6	115.3	S51 G55 Q56	S51-R53 PolarHBondContact O-N 3.07Å; R53-G55 PolarHBondContact O-N 3.11Å; R53-Q56 PolarHBondContact O-N 3.24Å
54	R	46.2	Very low	49.9	Very low	204 Å²	204	108.7 Å²	108.7	77%	0.77	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-2.5	-177.9	-80.2	-170	-103.9	-173.3	-7.1	115.8	S51	S51-R54 PolarHBondContact OG-NH2 3.44Å
55	G	45.6	Very low	49.3	Very low	82 Å²	82	110.6 Å²	110.6	85%	0.845	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	2.6	175.4	0	0	0	0	0	116.7	R53	R53-G55 PolarHBondContact O-N 3.11Å
56	Q	50.8	Low	48.8	Very low	112 Å²	112	111.7 Å²	111.7	52%	0.523	60%	0.599	S	S	.	*			trans	-105.1	-3.1	-168.9	-163.3	57.9	66.4	0	0	115.2	R53	R53-Q56 PolarHBondContact O-N 3.24Å
57	Y	44.9	Very low	48.5	Very low	98 Å²	98	116.1 Å²	116.1	38%	0.384	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-91.9	128.8	-174	-61.8	-76.2	0	0	0	112.4	F156	Y57-F156 HydrophobicContact CE1-CD2 4.05Å
58	P	44.5	Very low	48.1	Very low	80 Å²	80	120.7 Å²	120.7	52%	0.519	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-71	154.9	172.2	30	-32.9	0	0	0	111.3
59	P	46.6	Very low	47.7	Very low	101 Å²	101	117.7 Å²	117.7	66%	0.656	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-60.6	148.9	172.8	26.1	-33.6	0	0	0	111.2	S61	P59-S61 PolarHBondContact O-N 3.32Å
60	A	50.5	Low	47.5	Very low	94 Å²	94	115.5 Å²	115.5	78%	0.777	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	7.2	-174.5	0	0	0	0	0	115.7	Y62	A60-Y62 PolarHBondContact O-N 2.95Å
61	S	46.2	Very low	47.5	Very low	107 Å²	107	120.7 Å²	120.7	75%	0.748	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	12.1	-171.9	55.5	0	0	0	0	115	P59	P59-S61 PolarHBondContact O-N 3.32Å
62	Y	44.9	Very low	47.2	Very low	153 Å²	153	122 Å²	122	60%	0.6	66%	0.664	S	S	*	*			trans	-128	72.6	178	-150.8	-85.6	0	0	0	110.3	A60 D64	A60-Y62 PolarHBondContact O-N 2.95Å; Y62-D64 WeakPolarHBondContact CE1-OD2 3.39Å; Y62-D64 VanDerWaalsContact CZ-OD2 3.27Å; Y62-D64 PolarHBondContact OH-OD2 3.01Å; Y62-D64 VanDerWaalsContact OH-OD2 3.08Å
63	I	50	Low	47.1	Very low	134 Å²	134	124.4 Å²	124.4	69%	0.687	67%	0.67	S	S	*	*			trans	-105.9	90.6	171.9	-56.9	171.9	0	0	0	105.7
64	D	47	Very low	46.8	Very low	100 Å²	100	124.2 Å²	124.2	54%	0.535	68%	0.68	S	S	.	*			trans	-90.5	131.3	162.5	-80.5	-44.2	0	0	0	107.1	Y62 D66	Y62-D64 WeakPolarHBondContact CE1-OD2 3.39Å; Y62-D64 VanDerWaalsContact CZ-OD2 3.27Å; Y62-D64 PolarHBondContact OH-OD2 3.01Å; Y62-D64 VanDerWaalsContact OH-OD2 3.08Å; D64-D66 PolarHBondContact O-N 3.37Å
65	D	50.9	Low	46.5	Very low	157 Å²	157	125.3 Å²	125.3	84%	0.84	69%	0.691	S	S	*	*	S	Bend	trans	-68.1	23	-173.9	-73	-52	0	0	0	115.8
66	D	46.2	Very low	46.4	Very low	143 Å²	143	123.9 Å²	123.9	77%	0.765	68%	0.676	S	S	*	*			trans	-111.3	71.4	177.8	-74.1	-33.2	0	0	0	111.4	D64 S68	D64-D66 PolarHBondContact O-N 3.37Å; D66-S68 PolarHBondContact O-N 3.38Å
67	I	52.4	Low	46.7	Very low	153 Å²	153	124.4 Å²	124.4	79%	0.785	69%	0.689	S	S	*	*			trans	-61.6	99.2	165.6	-84.6	165.8	0	0	0	108.8
68	S	42.2	Very low	47.9	Very low	108 Å²	108	126.4 Å²	126.4	76%	0.755	70%	0.702	S	S	*	*			trans	-131.3	60.1	162.2	61.1	0	0	0	0	109.9	D66	D66-S68 PolarHBondContact O-N 3.38Å
69	C	41.1	Very low	49.8	Very low	62 Å²	62	126.7 Å²	126.7	42%	0.419	70%	0.699	S	S	.	*			trans	-102.4	65.2	173.1	-42.5	0	0	0	0	110.1
70	M	48.7	Very low	52.1	Low	162 Å²	162	125.6 Å²	125.6	80%	0.798	69%	0.69	S	S	*	*			trans	-142.4	113.6	155.3	-70.8	-160.9	-160.6	0	0	107.4	V72	M70-V72 HydrophobicContact CB-CG2 4.29Å; M70-V72 PolarHBondContact O-N 3.4Å
71	E	48.4	Very low	54.3	Low	162 Å²	162	121.2 Å²	121.2	76%	0.757	65%	0.653	S	S	*	*			trans	-71.9	82.6	168.7	-65.3	-167.9	132.9	0	0	108.3	K91	E71-K91 IonicContact OE1-NZ 2.81Å; E71-K91 PolarHBondContact OE1-NZ 2.81Å
72	V	46.4	Very low	56.6	Low	91 Å²	91	123.7 Å²	123.7	55%	0.552	65%	0.646	S	S	*	*			trans	-93.4	115.4	158.7	-165.9	0	0	0	0	105.7	M70 T74	M70-V72 HydrophobicContact CB-CG2 4.29Å; M70-V72 PolarHBondContact O-N 3.4Å; V72-T74 HydrophobicContact CB-CG2 3.96Å; V72-T74 HydrophobicContact CG1-CG2 3.32Å; V72-T74 PolarHBondContact O-N 3.05Å; V72-T74 PolarHBondContact O-OG1 3.43Å
73	E	45.6	Very low	59.1	Low	204 Å²	204	116.4 Å²	116.4	95%	0.953	62%	0.618	S	S	*	*			trans	-61.6	75.5	161	-73.1	-171.4	153.1	0	0	108.5
74	T	43.7	Very low	61.4	Low	101 Å²	101	110.2 Å²	110.2	62%	0.62	59%	0.587	S	S	*	*			trans	-99.8	120.2	171.9	41.9	0	0	0	0	107.6	V72 G76	V72-T74 HydrophobicContact CB-CG2 3.96Å; V72-T74 HydrophobicContact CG1-CG2 3.32Å; V72-T74 PolarHBondContact O-N 3.05Å; V72-T74 PolarHBondContact O-OG1 3.43Å; T74-G76 PolarHBondContact O-N 3.05Å
75	K	40.2	Very low	63.7	Low	228 Å²	228	107.8 Å²	107.8	99%	0.991	59%	0.585	S	S	*	*			trans	-60.3	97.5	163.4	-89.5	176.3	168.4	175.7	0	108.7
76	G	42.7	Very low	65.9	Low	51 Å²	51	102.5 Å²	102.5	53%	0.526	56%	0.557	S	S	.	*			trans	148.8	158.8	168.3	0	0	0	0	0	112.1	T74	T74-G76 PolarHBondContact O-N 3.05Å
77	P	57	Low	68.2	Low	124 Å²	124	102.1 Å²	102.1	81%	0.805	55%	0.548	S	S	*	.	S	Bend	cis	-68.8	170.5	-38.7	32.5	-31.9	0	0	0	111.6	L79	P77-L79 PolarHBondContact O-N 3.08Å
78	E	69.6	Low	70.3	Confident	140 Å²	140	95.4 Å²	95.4	65%	0.654	52%	0.515	S	S	*	.			trans	-49.9	115.4	-177.4	-67.5	-156.7	129.7	0	0	112	V80 K87	E78-V80 WeakPolarHBondContact O-CG2 3.13Å; E78-V80 PolarHBondContact O-N 2.92Å; E78-K87 IonicContact OE1-NZ 2.77Å; E78-K87 PolarHBondContact OE1-NZ 2.87Å
79	L	84.7	Confident	72.7	Confident	86 Å²	86	93.3 Å²	93.3	45%	0.45	50%	0.501	S	S	.	.			trans	-67	122.2	-177.3	-146.9	80.6	0	0	0	108.8	P77 A88 P96	P77-L79 PolarHBondContact O-N 3.08Å; L79-A88 HydrophobicContact CB-CB 4.1Å; L79-A88 HydrophobicContact CD2-CB 4.22Å; L79-A88 HydrophobicContact CG-CB 4.34Å; L79-A88 WeakPolarHBondContact O-CA 3.45Å; L79-A88 WeakPolarHBondContact O-CB 3.27Å; L79-A88 PolarHBondContact O-N 3.33Å; L79-P96 HydrophobicContact CD2-CB 3.72Å; L79-P96 HydrophobicContact CD2-CG 4.12Å; L79-P96 HydrophobicContact CG-CB 3.97Å; L79-P96 HydrophobicContact CG-CG 4.4Å
80	V	94.7	Very high	75.1	Confident	77 Å²	77	91.4 Å²	91.4	47%	0.467	49%	0.491	S	S	.	.	B	Isolated β-bridge	trans	-101.6	141.7	-178.3	-171.4	0	0	0	0	110.7	E78 R82 G85	E78-V80 WeakPolarHBondContact O-CG2 3.13Å; E78-V80 PolarHBondContact O-N 2.92Å; V80-R82 PolarHBondContact O-N 2.95Å; V80-R82 VanDerWaalsContact O-N 3.13Å; V80-G85 VanDerWaalsContact CG1-O 3.26Å; V80-G85 WeakPolarHBondContact CG1-O 3.35Å
81	C	97.1	Very high	77.2	Confident	2 Å²	2	88.7 Å²	88.7	1%	0.014	48%	0.475	C	S	.	.			trans	-65.9	110.9	176.8	178	0	0	0	0	110.2	V83 C84 G85 D86 C98	C81-V83 PolarHBondContact O-N 2.71Å; C81-C84 PolarHBondContact O-N 3.36Å; C81-G85 WeakPolarHBondContact O-CA 3.49Å; C81-G85 PolarHBondContact O-N 2.91Å; C81-D86 WeakPolarHBondContact CA-O 3.31Å; C81-D86 HydrophobicContact CB-CB 4.32Å; C81-D86 WeakPolarHBondContact CB-O 3.31Å; C81-D86 PolarHBondContact N-O 2.95Å; C81-C98 HydrophobicContact CB-CB 3.94Å; C81-C98 PolarHBondContact SG-N 2.87Å; C81-C98 VanDerWaalsContact SG-N 3.36Å; C81-C98 VanDerWaalsContact SG-SG 3.62Å
82	R	95.4	Very high	79.3	Confident	159 Å²	159	82.5 Å²	82.5	60%	0.6	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.6	-179.8	-70.8	-67.3	-169.2	159.7	3.4	114	V80 V95 P96 M144	V80-R82 PolarHBondContact O-N 2.95Å; V80-R82 VanDerWaalsContact O-N 3.13Å; R82-V95 HydrophobicContact CB-CG1 3.7Å; R82-V95 HydrophobicContact CG-CG1 4.01Å; R82-P96 HydrophobicContact CG-CB 4.27Å; R82-P96 HydrophobicContact CG-CG 4.45Å; R82-P96 PolarHBondContact N-O 3.07Å; R82-M144 HydrophobicContact CB-CE 3.74Å; R82-M144 HydrophobicContact CB-CG 4.34Å; R82-M144 HydrophobicContact CG-CE 4.34Å
83	V	97.4	Very high	81.6	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-47.7	178.4	-178.8	0	0	0	0	112.8	C81 C101 V125 K140 M144 M146	C81-V83 PolarHBondContact O-N 2.71Å; V83-C101 HydrophobicContact CB-CB 4.35Å; V83-V125 HydrophobicContact CG1-CG1 4.13Å; V83-K140 HydrophobicContact CG1-CB 4.43Å; V83-K140 HydrophobicContact CG1-CD 4.39Å; V83-K140 HydrophobicContact CG1-CG 4.33Å; V83-K140 WeakPolarHBondContact O-CD 3.4Å; V83-K140 WeakPolarHBondContact O-CE 3.28Å; V83-K140 PolarHBondContact O-NZ 3.08Å; V83-M144 HydrophobicContact CG2-CG 4.37Å; V83-M146 HydrophobicContact CG2-CE 3.52Å; V83-M146 HydrophobicContact CG2-SD 3.99Å
84	C	97.7	Very high	83.7	Confident	5 Å²	5	71.3 Å²	71.3	3%	0.034	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-2.7	-171	67.2	0	0	0	0	115	C81 D86 C101 V125 D126 V127 R130	C81-C84 PolarHBondContact O-N 3.36Å; C84-D86 VanDerWaalsContact C-N 3.26Å; C84-D86 PolarHBondContact O-N 3.36Å; C84-D86 WeakPolarHBondContact SG-CB 3.36Å; C84-C101 VanDerWaalsContact SG-SG 3.66Å; C84-V125 HydrophobicContact CB-CG1 4.23Å; C84-D126 CarbonylContact O-C 3.36Å; C84-D126 VanDerWaalsContact O-CA 3.3Å; C84-D126 WeakPolarHBondContact O-CA 3.25Å; C84-V127 WeakPolarHBondContact O-CG2 3.15Å; C84-V127 PolarHBondContact O-N 3.14Å; C84-V127 VanDerWaalsContact O-N 3.12Å; C84-R130 HydrophobicContact CB-CB 4.32Å; C84-R130 PolarHBondContact SG-NH1 2.99Å
85	G	96.3	Very high	86.1	Confident	48 Å²	48	66.9 Å²	66.9	50%	0.495	36%	0.363	S	S	.	.	S	Bend	trans	79.8	0.4	-178.4	0	0	0	0	0	115.1	V80 C81	V80-G85 VanDerWaalsContact CG1-O 3.26Å; V80-G85 WeakPolarHBondContact CG1-O 3.35Å; C81-G85 WeakPolarHBondContact O-CA 3.49Å; C81-G85 PolarHBondContact O-N 2.91Å
86	D	96.8	Very high	88.6	Confident	47 Å²	47	57.3 Å²	57.3	25%	0.251	32%	0.324	S	S	.	.	S	Bend	trans	-70.9	164.6	175.5	-164.1	3.1	0	0	0	111.7	C81 C84 A88 C98 V127 R130	C81-D86 WeakPolarHBondContact CA-O 3.31Å; C81-D86 HydrophobicContact CB-CB 4.32Å; C81-D86 WeakPolarHBondContact CB-O 3.31Å; C81-D86 PolarHBondContact N-O 2.95Å; C84-D86 VanDerWaalsContact C-N 3.26Å; C84-D86 PolarHBondContact O-N 3.36Å; C84-D86 WeakPolarHBondContact SG-CB 3.36Å; D86-A88 PolarHBondContact O-N 3.22Å; D86-C98 HydrophobicContact CB-CB 3.88Å; D86-V127 HydrophobicContact CB-CG1 4.36Å; D86-V127 HydrophobicContact CB-CG2 3.86Å; D86-R130 IonicContact OD2-CZ 3.42Å; D86-R130 IonicContact OD2-NH1 3.15Å; D86-R130 PolarHBondContact OD2-NH1 3.47Å; D86-R130 IonicContact OD2-NH2 2.79Å; D86-R130 PolarHBondContact OD2-NH2 3.48Å
87	K	95	Very high	91.1	Very high	134 Å²	134	54.9 Å²	54.9	58%	0.583	30%	0.299	S	S	*	.	B	Isolated β-bridge	trans	-60.4	122.7	175.7	-172	167	-177.4	151.1	0	110.3	E78 C98	E78-K87 IonicContact OE1-NZ 2.77Å; E78-K87 PolarHBondContact OE1-NZ 2.87Å; K87-C98 WeakPolarHBondContact O-CB 3.31Å
88	A	95.7	Very high	93.1	Very high	12 Å²	12	49.1 Å²	49.1	10%	0.099	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-78.2	136.5	177.3	0	0	0	0	0	110.3	L79 D86 G90 P96 S97	L79-A88 HydrophobicContact CB-CB 4.1Å; L79-A88 HydrophobicContact CD2-CB 4.22Å; L79-A88 HydrophobicContact CG-CB 4.34Å; L79-A88 WeakPolarHBondContact O-CA 3.45Å; L79-A88 WeakPolarHBondContact O-CB 3.27Å; L79-A88 PolarHBondContact O-N 3.33Å; D86-A88 PolarHBondContact O-N 3.22Å; A88-G90 VanDerWaalsContact C-N 3.3Å; A88-P96 HydrophobicContact CB-CB 4.44Å; A88-S97 WeakPolarHBondContact CA-O 3.3Å; A88-S97 WeakPolarHBondContact CB-O 3.33Å
89	S	93.2	Very high	94.4	Very high	65 Å²	65	47.1 Å²	47.1	46%	0.455	26%	0.255	S	S	.	.			trans	-84.3	-11.3	172.8	55.2	0	0	0	0	112.2	H92 S97 D99	S89-H92 PolarHBondContact OG-NE2 3.42Å; S89-S97 PolarHBondContact N-O 2.81Å; S89-S97 VanDerWaalsContact N-O 3.07Å; S89-D99 PolarHBondContact OG-OD1 3.18Å
90	G	91.3	Very high	95	Very high	21 Å²	21	44.3 Å²	44.3	22%	0.216	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.9	-166.9	178.6	0	0	0	0	0	111.9	A88 P96 S97	A88-G90 VanDerWaalsContact C-N 3.3Å; G90-P96 WeakPolarHBondContact O-CA 3.41Å; G90-S97 PolarHBondContact O-N 3.01Å
91	K	91.7	Very high	95.1	Very high	106 Å²	106	40.7 Å²	40.7	46%	0.461	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	122.9	168.5	-68.7	-178.6	-175.6	178.8	0	109.2	E71 P96	E71-K91 IonicContact OE1-NZ 2.81Å; E71-K91 PolarHBondContact OE1-NZ 2.81Å; K91-P96 HydrophobicContact CG-CG 4.42Å
92	H	93.5	Very high	95.1	Very high	32 Å²	32	45.9 Å²	45.9	15%	0.148	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	134	171	-52.7	-78.5	0	0	0	108.9	S89 G94 V95 S97 R102	S89-H92 PolarHBondContact OG-NE2 3.42Å; H92-G94 PolarHBondContact O-N 3.34Å; H92-V95 PolarHBondContact N-O 3.25Å; H92-V95 PolarHBondContact O-N 2.95Å; H92-V95 VanDerWaalsContact O-N 3.12Å; H92-S97 WeakPolarHBondContact CB-OG 3.49Å; H92-S97 PolarHBondContact CD2-O 3.21Å; H92-S97 PolarHBondContact CD2-OG 2.72Å; H92-R102 HydrophobicContact CB-CB 4.17Å; H92-R102 HydrophobicContact CB-CG 3.9Å; H92-R102 VanDerWaalsContact ND1-CD 3.35Å; H92-R102 WeakPolarHBondContact ND1-CD 3.4Å; H92-R102 PolarHBondContact ND1-NE 2.89Å
93	Y	94	Very high	95.2	Very high	47 Å²	47	39.2 Å²	39.2	18%	0.184	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	34.7	-178.4	-56.2	-70.9	0	0	0	113.1	R102 F105 K106 I109 M146 N147	Y93-R102 HydrophobicContact CE2-CG 4.25Å; Y93-F105 AromaticContact CD1-CD1 3.89Å; Y93-F105 HydrophobicContact CD1-CD1 3.89Å; Y93-F105 AromaticContact CD1-CE1 3.84Å; Y93-F105 HydrophobicContact CD1-CE1 3.84Å; Y93-F105 HydrophobicContact CD2-CB 4.41Å; Y93-F105 AromaticContact CD2-CD1 3.47Å; Y93-F105 HydrophobicContact CD2-CD1 3.47Å; Y93-F105 VanDerWaalsContact CD2-CD1 3.47Å; Y93-F105 HydrophobicContact CD2-CE1 4.16Å; Y93-F105 HydrophobicContact CD2-CG 4.3Å; Y93-F105 HydrophobicContact CE1-CD1 4.17Å; Y93-F105 HydrophobicContact CE1-CE1 4.37Å; Y93-F105 HydrophobicContact CE2-CB 4.45Å; Y93-F105 AromaticContact CE2-CD1 3.79Å; Y93-F105 HydrophobicContact CE2-CD1 3.79Å; Y93-F105 AromaticContact CG-CD1 3.52Å; Y93-F105 HydrophobicContact CG-CD1 3.52Å; Y93-F105 AromaticContact CG-CE1 3.7Å; Y93-F105 HydrophobicContact CG-CE1 3.7Å; Y93-K106 HydrophobicContact CE2-CB 4.42Å; Y93-K106 WeakPolarHBondContact OH-CB 3.47Å; Y93-K106 VanDerWaalsContact OH-CG 3.32Å; Y93-K106 WeakPolarHBondContact OH-CG 3.38Å; Y93-I109 HydrophobicContact CD1-CD1 4.5Å; Y93-I109 HydrophobicContact CE1-CD1 3.87Å; Y93-M146 VanDerWaalsContact O-CA 3.29Å; Y93-M146 WeakPolarHBondContact O-CA 3.29Å; Y93-N147 VanDerWaalsContact CB-O 3.25Å; Y93-N147 WeakPolarHBondContact CB-O 3.25Å; Y93-N147 VanDerWaalsContact CD1-O 3.26Å; Y93-N147 WeakPolarHBondContact CD1-O 3.3Å; Y93-N147 PolarHBondContact O-N 2.87Å; Y93-N147 PolarHBondContact O-OD1 3.46Å
94	G	90.8	Very high	95.3	Very high	13 Å²	13	39.5 Å²	39.5	13%	0.134	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-3.2	-179.2	0	0	0	0	0	115.5	H92 Q152	H92-G94 PolarHBondContact O-N 3.34Å; G94-Q152 PolarHBondContact O-NE2 3.25Å
95	V	92.6	Very high	95.2	Very high	8 Å²	8	39.4 Å²	39.4	5%	0.048	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.2	-171.6	-172.1	0	0	0	0	111.9	R82 H92 S97 M144 M146	R82-V95 HydrophobicContact CB-CG1 3.7Å; R82-V95 HydrophobicContact CG-CG1 4.01Å; H92-V95 PolarHBondContact N-O 3.25Å; H92-V95 PolarHBondContact O-N 2.95Å; H92-V95 VanDerWaalsContact O-N 3.12Å; V95-S97 PolarHBondContact O-N 3.47Å; V95-S97 VanDerWaalsContact O-N 3.15Å; V95-S97 PolarHBondContact O-OG 3.35Å; V95-M144 HydrophobicContact CG1-CB 4.16Å; V95-M144 WeakPolarHBondContact CG2-O 3.4Å; V95-M146 HydrophobicContact CB-CE 4.18Å; V95-M146 HydrophobicContact CB-CG 3.96Å; V95-M146 HydrophobicContact CG1-CE 4.48Å; V95-M146 HydrophobicContact CG2-CB 4.46Å; V95-M146 HydrophobicContact CG2-CG 3.76Å
96	P	93.8	Very high	95.2	Very high	27 Å²	27	42.7 Å²	42.7	18%	0.175	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	118.1	168.5	-27.4	36.3	0	0	0	112.2	L79 R82 A88 G90 K91	L79-P96 HydrophobicContact CD2-CB 3.72Å; L79-P96 HydrophobicContact CD2-CG 4.12Å; L79-P96 HydrophobicContact CG-CB 3.97Å; L79-P96 HydrophobicContact CG-CG 4.4Å; R82-P96 HydrophobicContact CG-CB 4.27Å; R82-P96 HydrophobicContact CG-CG 4.45Å; R82-P96 PolarHBondContact N-O 3.07Å; A88-P96 HydrophobicContact CB-CB 4.44Å; G90-P96 WeakPolarHBondContact O-CA 3.41Å; K91-P96 HydrophobicContact CG-CG 4.42Å
97	S	95.6	Very high	95.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	154.4	-175.8	53.9	0	0	0	0	114.4	A88 S89 G90 H92 V95 M146	A88-S97 WeakPolarHBondContact CA-O 3.3Å; A88-S97 WeakPolarHBondContact CB-O 3.33Å; S89-S97 PolarHBondContact N-O 2.81Å; S89-S97 VanDerWaalsContact N-O 3.07Å; G90-S97 PolarHBondContact O-N 3.01Å; H92-S97 WeakPolarHBondContact CB-OG 3.49Å; H92-S97 PolarHBondContact CD2-O 3.21Å; H92-S97 PolarHBondContact CD2-OG 2.72Å; V95-S97 PolarHBondContact O-N 3.47Å; V95-S97 VanDerWaalsContact O-N 3.15Å; V95-S97 PolarHBondContact O-OG 3.35Å; S97-M146 WeakPolarHBondContact OG-CE 3.46Å
98	C	97.7	Very high	95.3	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.02	21%	0.21	C	C	.	.			trans	-82.4	162.2	174	68.8	0	0	0	0	111.3	C81 D86 K87 G100 C101 R102 R130	C81-C98 HydrophobicContact CB-CB 3.94Å; C81-C98 PolarHBondContact SG-N 2.87Å; C81-C98 VanDerWaalsContact SG-N 3.36Å; C81-C98 VanDerWaalsContact SG-SG 3.62Å; D86-C98 HydrophobicContact CB-CB 3.88Å; K87-C98 WeakPolarHBondContact O-CB 3.31Å; C98-G100 PolarHBondContact O-N 2.98Å; C98-C101 PolarHBondContact O-N 3.49Å; C98-C101 VanDerWaalsContact O-N 3.1Å; C98-R102 WeakPolarHBondContact O-CB 3.49Å; C98-R102 PolarHBondContact O-N 3.32Å; C98-R130 PolarHBondContact SG-NH1 3.07Å
99	D	97	Very high	95.3	Very high	98 Å²	98	40.6 Å²	40.6	52%	0.524	21%	0.209	S	C	.	.	H	α-helix	trans	-60.1	-31.8	-178.6	-67.1	-38.7	0	0	0	113.1	S89 R102 G103	S89-D99 PolarHBondContact OG-OD1 3.18Å; D99-R102 IonicContact OD1-NH1 3.73Å; D99-G103 PolarHBondContact O-N 3.42Å
100	G	97.5	Very high	95.3	Very high	27 Å²	27	47.3 Å²	47.3	28%	0.278	23%	0.225	S	C	.	.	H	α-helix	trans	-61.5	-46.6	175.2	0	0	0	0	0	112.8	C98 F104 R137	C98-G100 PolarHBondContact O-N 2.98Å; G100-F104 VanDerWaalsContact O-CB 3.24Å; G100-F104 WeakPolarHBondContact O-CB 3.43Å; G100-F104 PolarHBondContact O-N 3.39Å; G100-R137 PolarHBondContact O-NH2 2.74Å; G100-R137 VanDerWaalsContact O-NH2 3.14Å
101	C	98.2	Very high	95.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-76	-38.2	179.2	-71.8	0	0	0	0	112.2	V83 C84 C98 G103 F104 F105 R137	V83-C101 HydrophobicContact CB-CB 4.35Å; C84-C101 VanDerWaalsContact SG-SG 3.66Å; C98-C101 PolarHBondContact O-N 3.49Å; C98-C101 VanDerWaalsContact O-N 3.1Å; C101-G103 PolarHBondContact O-N 2.96Å; C101-F104 PolarHBondContact O-N 2.9Å; C101-F105 WeakPolarHBondContact O-CB 3.49Å; C101-F105 PolarHBondContact O-N 2.89Å; C101-R137 PolarHBondContact SG-NH2 3.24Å
102	R	96.9	Very high	95.5	Very high	112 Å²	112	56.8 Å²	56.8	42%	0.423	26%	0.257	S	S	.	.	H	α-helix	trans	-53.5	-54.2	171.1	175.2	-165	-177.5	-171.5	-0.6	111.3	H92 Y93 C98 D99 F105 K106	H92-R102 HydrophobicContact CB-CB 4.17Å; H92-R102 HydrophobicContact CB-CG 3.9Å; H92-R102 VanDerWaalsContact ND1-CD 3.35Å; H92-R102 WeakPolarHBondContact ND1-CD 3.4Å; H92-R102 PolarHBondContact ND1-NE 2.89Å; Y93-R102 HydrophobicContact CE2-CG 4.25Å; C98-R102 WeakPolarHBondContact O-CB 3.49Å; C98-R102 PolarHBondContact O-N 3.32Å; D99-R102 IonicContact OD1-NH1 3.73Å; R102-F105 PolarHBondContact O-N 3.38Å; R102-K106 WeakPolarHBondContact O-CB 3.43Å; R102-K106 PolarHBondContact O-N 3.41Å
103	G	97	Very high	95.6	Very high	18 Å²	18	58.1 Å²	58.1	19%	0.186	27%	0.265	C	S	.	.	H	α-helix	trans	-66.5	-38.2	-178.9	0	0	0	0	0	112.7	D99 C101 R107	D99-G103 PolarHBondContact O-N 3.42Å; C101-G103 PolarHBondContact O-N 2.96Å; G103-R107 WeakPolarHBondContact O-CG 3.43Å; G103-R107 PolarHBondContact O-N 3.23Å; G103-R107 VanDerWaalsContact O-N 3.12Å; G103-R107 PolarHBondContact O-NH1 3.46Å
104	F	98.2	Very high	95.6	Very high	7 Å²	7	63.3 Å²	63.3	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-59.8	-56	174.2	174.6	-101.9	0	0	0	111.2	G100 C101 K106 R107 S108 Y115 Q134 R137 F138	G100-F104 VanDerWaalsContact O-CB 3.24Å; G100-F104 WeakPolarHBondContact O-CB 3.43Å; G100-F104 PolarHBondContact O-N 3.39Å; C101-F104 PolarHBondContact O-N 2.9Å; F104-K106 VanDerWaalsContact C-N 3.34Å; F104-K106 PolarHBondContact O-N 2.77Å; F104-R107 PolarHBondContact O-N 2.94Å; F104-R107 VanDerWaalsContact O-N 3.1Å; F104-S108 PolarHBondContact O-N 3.17Å; F104-S108 PolarHBondContact O-OG 2.86Å; F104-Y115 HydrophobicContact CE2-CE2 4.11Å; F104-Y115 HydrophobicContact CZ-CD2 4.39Å; F104-Y115 AromaticContact CZ-CE2 3.73Å; F104-Y115 HydrophobicContact CZ-CE2 3.73Å; F104-Q134 HydrophobicContact CE2-CB 4.16Å; F104-Q134 HydrophobicContact CE2-CG 4.18Å; F104-Q134 HydrophobicContact CZ-CB 4.21Å; F104-Q134 WeakPolarHBondContact CZ-O 3.35Å; F104-R137 VanDerWaalsContact CD1-CD 3.49Å; F104-R137 HydrophobicContact CD1-CG 3.88Å; F104-R137 HydrophobicContact CE1-CB 3.95Å; F104-R137 HydrophobicContact CE1-CG 3.66Å; F104-R137 HydrophobicContact CZ-CB 4.13Å; F104-R137 HydrophobicContact CZ-CG 4.22Å; F104-F138 HydrophobicContact CE1-CB 3.78Å; F104-F138 HydrophobicContact CE1-CD2 4.18Å; F104-F138 HydrophobicContact CE1-CG 4.48Å; F104-F138 HydrophobicContact CZ-CB 3.96Å
105	F	97.4	Very high	95.9	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.009	30%	0.299	C	S	.	.	H	α-helix	trans	-56.3	-47.5	179.6	-170.9	-101.1	0	0	0	111.3	Y93 C101 R102 R107 S108 I109 F138 C141 L142 M146	Y93-F105 AromaticContact CD1-CD1 3.89Å; Y93-F105 HydrophobicContact CD1-CD1 3.89Å; Y93-F105 AromaticContact CD1-CE1 3.84Å; Y93-F105 HydrophobicContact CD1-CE1 3.84Å; Y93-F105 HydrophobicContact CD2-CB 4.41Å; Y93-F105 AromaticContact CD2-CD1 3.47Å; Y93-F105 HydrophobicContact CD2-CD1 3.47Å; Y93-F105 VanDerWaalsContact CD2-CD1 3.47Å; Y93-F105 HydrophobicContact CD2-CE1 4.16Å; Y93-F105 HydrophobicContact CD2-CG 4.3Å; Y93-F105 HydrophobicContact CE1-CD1 4.17Å; Y93-F105 HydrophobicContact CE1-CE1 4.37Å; Y93-F105 HydrophobicContact CE2-CB 4.45Å; Y93-F105 AromaticContact CE2-CD1 3.79Å; Y93-F105 HydrophobicContact CE2-CD1 3.79Å; Y93-F105 AromaticContact CG-CD1 3.52Å; Y93-F105 HydrophobicContact CG-CD1 3.52Å; Y93-F105 AromaticContact CG-CE1 3.7Å; Y93-F105 HydrophobicContact CG-CE1 3.7Å; C101-F105 WeakPolarHBondContact O-CB 3.49Å; C101-F105 PolarHBondContact O-N 2.89Å; R102-F105 PolarHBondContact O-N 3.38Å; F105-R107 VanDerWaalsContact C-N 3.32Å; F105-R107 PolarHBondContact O-N 2.83Å; F105-S108 PolarHBondContact O-N 3.26Å; F105-I109 HydrophobicContact CD1-CD1 4.04Å; F105-I109 HydrophobicContact CD1-CG2 4.07Å; F105-I109 HydrophobicContact CD2-CG2 4.38Å; F105-I109 HydrophobicContact CE1-CD1 3.92Å; F105-I109 HydrophobicContact CE1-CG2 3.72Å; F105-I109 HydrophobicContact CE2-CG2 4.04Å; F105-I109 HydrophobicContact CG-CG2 4.4Å; F105-I109 HydrophobicContact CZ-CG2 3.69Å; F105-I109 WeakPolarHBondContact O-CG1 3.32Å; F105-I109 WeakPolarHBondContact O-CG2 3.38Å; F105-I109 PolarHBondContact O-N 2.86Å; F105-F138 HydrophobicContact CD2-CD2 4.18Å; F105-F138 AromaticContact CD2-CE2 3.8Å; F105-F138 HydrophobicContact CD2-CE2 3.8Å; F105-F138 AromaticContact CE2-CE2 3.84Å; F105-F138 HydrophobicContact CE2-CE2 3.84Å; F105-C141 HydrophobicContact CD2-CB 3.57Å; F105-C141 HydrophobicContact CE2-CB 4.03Å; F105-L142 HydrophobicContact CE2-CD2 3.92Å; F105-L142 HydrophobicContact CZ-CD2 4.38Å; F105-M146 HydrophobicContact CB-SD 4.31Å; F105-M146 HydrophobicContact CD1-CB 4.39Å; F105-M146 HydrophobicContact CD2-CB 4.04Å; F105-M146 HydrophobicContact CD2-SD 4.25Å; F105-M146 HydrophobicContact CE1-CB 4.09Å; F105-M146 HydrophobicContact CE2-CB 3.72Å; F105-M146 HydrophobicContact CG-CB 4.36Å; F105-M146 HydrophobicContact CG-SD 4.21Å; F105-M146 HydrophobicContact CZ-CB 3.75Å; F105-M146 WeakPolarHBondContact CZ-O 3.38Å
106	K	96.2	Very high	96.1	Very high	118 Å²	118	73.3 Å²	73.3	51%	0.513	34%	0.337	S	S	.	.	H	α-helix	trans	-51.7	-46.8	175.6	-172.4	174.2	178.6	179.7	0	112.7	Y93 R102 F104 I109 R110	Y93-K106 HydrophobicContact CE2-CB 4.42Å; Y93-K106 WeakPolarHBondContact OH-CB 3.47Å; Y93-K106 VanDerWaalsContact OH-CG 3.32Å; Y93-K106 WeakPolarHBondContact OH-CG 3.38Å; R102-K106 WeakPolarHBondContact O-CB 3.43Å; R102-K106 PolarHBondContact O-N 3.41Å; F104-K106 VanDerWaalsContact C-N 3.34Å; F104-K106 PolarHBondContact O-N 2.77Å; K106-I109 VanDerWaalsContact O-CG1 3.28Å; K106-I109 WeakPolarHBondContact O-CG1 3.46Å; K106-R110 WeakPolarHBondContact O-CB 3.2Å; K106-R110 PolarHBondContact O-N 3.01Å
107	R	96.9	Very high	96.3	Very high	131 Å²	131	73.8 Å²	73.8	49%	0.494	34%	0.34	S	S	.	.	H	α-helix	trans	-69	-44.1	-179.8	-72.2	-174	-60.5	-90.6	3	111.6	G103 F104 F105 I109 R110 R111	G103-R107 WeakPolarHBondContact O-CG 3.43Å; G103-R107 PolarHBondContact O-N 3.23Å; G103-R107 VanDerWaalsContact O-N 3.12Å; G103-R107 PolarHBondContact O-NH1 3.46Å; F104-R107 PolarHBondContact O-N 2.94Å; F104-R107 VanDerWaalsContact O-N 3.1Å; F105-R107 VanDerWaalsContact C-N 3.32Å; F105-R107 PolarHBondContact O-N 2.83Å; R107-I109 PolarHBondContact O-N 3.3Å; R107-R110 PolarHBondContact O-N 3.29Å; R107-R111 WeakPolarHBondContact O-CB 3.49Å; R107-R111 PolarHBondContact O-N 2.91Å; R107-R111 VanDerWaalsContact O-N 3.11Å
108	S	96.7	Very high	96.3	Very high	1 Å²	1	84.3 Å²	84.3	1%	0.007	39%	0.386	C	S	.	.	H	α-helix	trans	-59.8	-46.2	178.9	-51	0	0	0	0	111.5	F104 F105 Q112 L113 Y115 F138	F104-S108 PolarHBondContact O-N 3.17Å; F104-S108 PolarHBondContact O-OG 2.86Å; F105-S108 PolarHBondContact O-N 3.26Å; S108-Q112 WeakPolarHBondContact O-CA 3.14Å; S108-Q112 PolarHBondContact O-N 2.75Å; S108-Q112 VanDerWaalsContact O-N 3.08Å; S108-L113 PolarHBondContact O-N 3.4Å; S108-Y115 VanDerWaalsContact OG-CE2 3.29Å; S108-Y115 WeakPolarHBondContact OG-CE2 3.18Å; S108-Y115 PolarHBondContact OG-OH 3.34Å; S108-F138 VanDerWaalsContact CB-CD2 3.48Å
109	I	94.7	Very high	96.2	Very high	17 Å²	17	86.8 Å²	86.8	9%	0.087	41%	0.412	C	S	.	.	H	α-helix	trans	-70.7	-44.2	179	68.4	176.3	0	0	0	112.1	Y93 F105 K106 R107 R111 Q112 F138 R148	Y93-I109 HydrophobicContact CD1-CD1 4.5Å; Y93-I109 HydrophobicContact CE1-CD1 3.87Å; F105-I109 HydrophobicContact CD1-CD1 4.04Å; F105-I109 HydrophobicContact CD1-CG2 4.07Å; F105-I109 HydrophobicContact CD2-CG2 4.38Å; F105-I109 HydrophobicContact CE1-CD1 3.92Å; F105-I109 HydrophobicContact CE1-CG2 3.72Å; F105-I109 HydrophobicContact CE2-CG2 4.04Å; F105-I109 HydrophobicContact CG-CG2 4.4Å; F105-I109 HydrophobicContact CZ-CG2 3.69Å; F105-I109 WeakPolarHBondContact O-CG1 3.32Å; F105-I109 WeakPolarHBondContact O-CG2 3.38Å; F105-I109 PolarHBondContact O-N 2.86Å; K106-I109 VanDerWaalsContact O-CG1 3.28Å; K106-I109 WeakPolarHBondContact O-CG1 3.46Å; R107-I109 PolarHBondContact O-N 3.3Å; I109-R111 VanDerWaalsContact C-N 3.3Å; I109-R111 PolarHBondContact O-N 3.17Å; I109-Q112 PolarHBondContact O-N 2.92Å; I109-F138 HydrophobicContact CG2-CE2 4.17Å; I109-F138 HydrophobicContact CG2-CZ 4.35Å; I109-R148 HydrophobicContact CB-CG 4.27Å; I109-R148 VanDerWaalsContact CB-CZ 3.44Å; I109-R148 HydrophobicContact CD1-CB 4.47Å; I109-R148 HydrophobicContact CD1-CG 3.92Å; I109-R148 HydrophobicContact CG2-CG 4.25Å; I109-R148 PolarHBondContact O-NH1 3.02Å; I109-R148 PolarHBondContact O-NH2 3.36Å
110	R	94.2	Very high	96.1	Very high	206 Å²	206	86.9 Å²	86.9	78%	0.777	42%	0.421	S	S	*	.	H	α-helix	trans	-63.1	-39.5	-175.6	178.7	177.4	170.8	83.1	-0.9	111.7	K106 R107	K106-R110 WeakPolarHBondContact O-CB 3.2Å; K106-R110 PolarHBondContact O-N 3.01Å; R107-R110 PolarHBondContact O-N 3.29Å
111	R	94.5	Very high	96	Very high	176 Å²	176	87.1 Å²	87.1	66%	0.664	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	1.7	-178.7	-66.5	179.6	-177.7	-179.6	-0.5	113.4	R107 I109 L113	R107-R111 WeakPolarHBondContact O-CB 3.49Å; R107-R111 PolarHBondContact O-N 2.91Å; R107-R111 VanDerWaalsContact O-N 3.11Å; I109-R111 VanDerWaalsContact C-N 3.3Å; I109-R111 PolarHBondContact O-N 3.17Å; R111-L113 VanDerWaalsContact C-N 3.26Å; R111-L113 HydrophobicContact CB-CD1 4.18Å; R111-L113 HydrophobicContact CB-CD2 3.93Å; R111-L113 HydrophobicContact CB-CG 3.72Å; R111-L113 PolarHBondContact O-N 3.07Å
112	Q	93	Very high	96	Very high	149 Å²	149	93.6 Å²	93.6	70%	0.696	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	48.5	-175.8	-56.2	-178.9	12.2	0	0	112	S108 I109 N114	S108-Q112 WeakPolarHBondContact O-CA 3.14Å; S108-Q112 PolarHBondContact O-N 2.75Å; S108-Q112 VanDerWaalsContact O-N 3.08Å; I109-Q112 PolarHBondContact O-N 2.92Å; Q112-N114 PolarHBondContact O-N 3.44Å
113	L	94.2	Very high	96	Very high	60 Å²	60	90.5 Å²	90.5	31%	0.314	45%	0.453	S	S	.	.			trans	-75	125.6	-174.6	-64.5	173.1	0	0	0	111	S108 R111 Y115	S108-L113 PolarHBondContact O-N 3.4Å; R111-L113 VanDerWaalsContact C-N 3.26Å; R111-L113 HydrophobicContact CB-CD1 4.18Å; R111-L113 HydrophobicContact CB-CD2 3.93Å; R111-L113 HydrophobicContact CB-CG 3.72Å; R111-L113 PolarHBondContact O-N 3.07Å; L113-Y115 HydrophobicContact CB-CE1 4.04Å; L113-Y115 HydrophobicContact CB-CE2 4.1Å; L113-Y115 HydrophobicContact CD1-CE1 4.15Å; L113-Y115 WeakPolarHBondContact CD1-OH 3.26Å
114	N	94.8	Very high	95.9	Very high	157 Å²	157	94.5 Å²	94.5	84%	0.84	47%	0.469	S	S	*	.			trans	-97.7	100.4	173.4	-64	-39.9	0	0	0	109.2	Q112	Q112-N114 PolarHBondContact O-N 3.44Å
115	Y	97	Very high	95.9	Very high	51 Å²	51	94.6 Å²	94.6	20%	0.2	47%	0.47	C	S	.	.			trans	-86.2	141.1	177.4	-57.2	-66	0	0	0	111.1	F104 S108 L113 Q134 F138	F104-Y115 HydrophobicContact CE2-CE2 4.11Å; F104-Y115 HydrophobicContact CZ-CD2 4.39Å; F104-Y115 AromaticContact CZ-CE2 3.73Å; F104-Y115 HydrophobicContact CZ-CE2 3.73Å; S108-Y115 VanDerWaalsContact OG-CE2 3.29Å; S108-Y115 WeakPolarHBondContact OG-CE2 3.18Å; S108-Y115 PolarHBondContact OG-OH 3.34Å; L113-Y115 HydrophobicContact CB-CE1 4.04Å; L113-Y115 HydrophobicContact CB-CE2 4.1Å; L113-Y115 HydrophobicContact CD1-CE1 4.15Å; L113-Y115 WeakPolarHBondContact CD1-OH 3.26Å; Y115-Q134 HydrophobicContact CD1-CB 3.58Å; Y115-Q134 HydrophobicContact CD1-CG 4.45Å; Y115-Q134 HydrophobicContact CD2-CB 4.25Å; Y115-Q134 HydrophobicContact CE1-CB 3.82Å; Y115-Q134 HydrophobicContact CE1-CG 4.35Å; Y115-Q134 HydrophobicContact CE2-CB 4.45Å; Y115-Q134 HydrophobicContact CG-CB 3.8Å; Y115-F138 HydrophobicContact CD2-CB 3.82Å; Y115-F138 HydrophobicContact CD2-CD1 4.37Å; Y115-F138 HydrophobicContact CD2-CG 4.14Å; Y115-F138 HydrophobicContact CE2-CB 4.07Å; Y115-F138 HydrophobicContact CE2-CG 4.21Å
116	Q	97.2	Very high	95.9	Very high	179 Å²	179	96.4 Å²	96.4	84%	0.836	48%	0.48	S	S	*	.			trans	-112.1	136	172.2	-63	-179.9	20.2	0	0	110
117	C	97.8	Very high	95.9	Very high	37 Å²	37	93.9 Å²	93.9	25%	0.25	47%	0.474	C	S	.	.			trans	-80.1	135	175.7	-172.6	0	0	0	0	109.5	G119 G121 C123 C133 A135 C136	C117-G119 VanDerWaalsContact C-N 3.31Å; C117-G119 PolarHBondContact SG-N 2.91Å; C117-G119 VanDerWaalsContact SG-N 3.39Å; C117-G121 PolarHBondContact SG-N 2.96Å; C117-C123 VanDerWaalsContact SG-SG 3.67Å; C117-C133 PolarHBondContact SG-SG 2.91Å; C117-A135 HydrophobicContact CB-CB 3.96Å; C117-C136 VanDerWaalsContact SG-SG 3.64Å
118	K	95.9	Very high	95.9	Very high	222 Å²	222	95 Å²	95	97%	0.965	49%	0.488	S	S	*	.	S	Bend	trans	-81	-10.8	174.9	-63.5	-176.4	178.1	-176.3	0	113.6
119	G	94.6	Very high	95.9	Very high	55 Å²	55	99.1 Å²	99.1	57%	0.567	50%	0.504	S	S	*	.	S	Bend	trans	-117	-147.1	178.5	0	0	0	0	0	111.7	C117 G121	C117-G119 VanDerWaalsContact C-N 3.31Å; C117-G119 PolarHBondContact SG-N 2.91Å; C117-G119 VanDerWaalsContact SG-N 3.39Å; G119-G121 VanDerWaalsContact C-N 3.25Å; G119-G121 PolarHBondContact O-N 3.24Å
120	S	95.8	Very high	96	Very high	100 Å²	100	100.4 Å²	100.4	70%	0.699	51%	0.507	S	S	*	.	S	Bend	trans	-80.5	12.2	-175.7	57.4	0	0	0	0	115.6	N122	S120-N122 PolarHBondContact O-N 3.15Å
121	G	95.8	Very high	96.1	Very high	32 Å²	32	96.3 Å²	96.3	33%	0.33	50%	0.501	S	S	.	.	S	Bend	trans	75.1	0.3	-175.6	0	0	0	0	0	115.4	C117 G119 C136	C117-G121 PolarHBondContact SG-N 2.96Å; G119-G121 VanDerWaalsContact C-N 3.25Å; G119-G121 PolarHBondContact O-N 3.24Å; G121-C136 PolarHBondContact O-SG 3.1Å
122	N	96.3	Very high	96.2	Very high	136 Å²	136	95 Å²	95	73%	0.727	50%	0.502	S	S	*	.			trans	-112.8	29.6	-174.1	-64.1	-30.5	0	0	0	113.8	S120 I124	S120-N122 PolarHBondContact O-N 3.15Å; N122-I124 PolarHBondContact O-N 2.77Å
123	C	97.4	Very high	96.5	Very high	47 Å²	47	88.6 Å²	88.6	32%	0.318	47%	0.474	S	S	.	.			trans	-62.7	136.9	-179.6	-55.3	0	0	0	0	111.4	C117 C133 C136	C117-C123 VanDerWaalsContact SG-SG 3.67Å; C123-C133 HydrophobicContact CB-CB 3.7Å; C123-C136 HydrophobicContact CB-CB 3.78Å; C123-C136 VanDerWaalsContact CB-SG 3.59Å; C123-C136 PolarHBondContact N-SG 3.18Å; C123-C136 VanDerWaalsContact N-SG 3.4Å; C123-C136 VanDerWaalsContact SG-SG 3.67Å
124	I	96.4	Very high	96.6	Very high	102 Å²	102	90.9 Å²	90.9	52%	0.523	48%	0.483	S	S	.	.			trans	-69.1	132.8	178	-58.5	163.6	0	0	0	109.8	N122 R129	N122-I124 PolarHBondContact O-N 2.77Å; I124-R129 VanDerWaalsContact CG2-NH2 3.26Å
125	V	97.5	Very high	96.8	Very high	9 Å²	9	83.6 Å²	83.6	6%	0.055	45%	0.445	C	S	.	.			trans	-115.8	96.8	178.6	-178.3	0	0	0	0	108.7	V83 C84 R130 C136 R137 K140	V83-V125 HydrophobicContact CG1-CG1 4.13Å; C84-V125 HydrophobicContact CB-CG1 4.23Å; V125-R130 HydrophobicContact CG1-CB 4.03Å; V125-C136 HydrophobicContact CG2-CB 4.35Å; V125-R137 HydrophobicContact CG1-CB 4.43Å; V125-R137 HydrophobicContact CG1-CG 4.12Å; V125-R137 HydrophobicContact CG2-CB 4.39Å; V125-K140 HydrophobicContact CB-CD 3.69Å; V125-K140 HydrophobicContact CG1-CD 4.1Å; V125-K140 HydrophobicContact CG2-CD 4.12Å; V125-K140 PolarHBondContact O-NZ 2.87Å
126	D	97.1	Very high	96.9	Very high	40 Å²	40	81.6 Å²	81.6	21%	0.214	44%	0.438	C	S	.	.	S	Bend	trans	-125	-178.8	173.7	61.6	13.9	0	0	0	110.6	C84 I128 R129 R130	C84-D126 CarbonylContact O-C 3.36Å; C84-D126 VanDerWaalsContact O-CA 3.3Å; C84-D126 WeakPolarHBondContact O-CA 3.25Å; D126-I128 PolarHBondContact O-N 3.23Å; D126-I128 PolarHBondContact OD1-N 2.79Å; D126-R129 WeakPolarHBondContact OD1-CA 3.49Å; D126-R129 WeakPolarHBondContact OD1-CB 3.02Å; D126-R129 WeakPolarHBondContact OD1-CG 3.49Å; D126-R129 PolarHBondContact OD1-N 2.86Å; D126-R129 IonicContact OD1-NE 2.68Å; D126-R129 PolarHBondContact OD1-NE 2.93Å; D126-R129 IonicContact OD2-CZ 3.43Å; D126-R129 IonicContact OD2-NE 3.51Å; D126-R129 PolarHBondContact OD2-NE 3.32Å; D126-R129 IonicContact OD2-NH2 2.74Å; D126-R129 PolarHBondContact OD2-NH2 2.91Å; D126-R130 WeakPolarHBondContact O-CB 3.06Å; D126-R130 WeakPolarHBondContact O-CG 3.49Å; D126-R130 PolarHBondContact O-N 3.49Å
127	V	97	Very high	96.9	Very high	65 Å²	65	73.5 Å²	73.5	39%	0.394	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-38.8	-176	-171.8	0	0	0	0	112.3	C84 D86	C84-V127 WeakPolarHBondContact O-CG2 3.15Å; C84-V127 PolarHBondContact O-N 3.14Å; C84-V127 VanDerWaalsContact O-N 3.12Å; D86-V127 HydrophobicContact CB-CG1 4.36Å; D86-V127 HydrophobicContact CB-CG2 3.86Å
128	I	96.9	Very high	96.9	Very high	154 Å²	154	73.4 Å²	73.4	79%	0.79	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-42.6	-173.8	-56.4	173.8	0	0	0	111.1	D126	D126-I128 PolarHBondContact O-N 3.23Å; D126-I128 PolarHBondContact OD1-N 2.79Å
129	R	95.6	Very high	97	Very high	87 Å²	87	67.2 Å²	67.2	33%	0.328	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-0.7	-168.6	-54.2	179.6	-76.2	-173.3	-8.6	113.8	I124 D126 N131 Q132	I124-R129 VanDerWaalsContact CG2-NH2 3.26Å; D126-R129 WeakPolarHBondContact OD1-CA 3.49Å; D126-R129 WeakPolarHBondContact OD1-CB 3.02Å; D126-R129 WeakPolarHBondContact OD1-CG 3.49Å; D126-R129 PolarHBondContact OD1-N 2.86Å; D126-R129 IonicContact OD1-NE 2.68Å; D126-R129 PolarHBondContact OD1-NE 2.93Å; D126-R129 IonicContact OD2-CZ 3.43Å; D126-R129 IonicContact OD2-NE 3.51Å; D126-R129 PolarHBondContact OD2-NE 3.32Å; D126-R129 IonicContact OD2-NH2 2.74Å; D126-R129 PolarHBondContact OD2-NH2 2.91Å; R129-N131 PolarHBondContact O-N 3.49Å; R129-Q132 HydrophobicContact CB-CG 4.09Å; R129-Q132 WeakPolarHBondContact O-CB 3.29Å; R129-Q132 PolarHBondContact O-N 3.35Å
130	R	96.7	Very high	97.1	Very high	44 Å²	44	68 Å²	68	17%	0.166	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-19.6	177.4	60.8	-171.9	-172.4	-170.6	-3.6	114.7	C84 D86 C98 V125 D126 R137	C84-R130 HydrophobicContact CB-CB 4.32Å; C84-R130 PolarHBondContact SG-NH1 2.99Å; D86-R130 IonicContact OD2-CZ 3.42Å; D86-R130 IonicContact OD2-NH1 3.15Å; D86-R130 PolarHBondContact OD2-NH1 3.47Å; D86-R130 IonicContact OD2-NH2 2.79Å; D86-R130 PolarHBondContact OD2-NH2 3.48Å; C98-R130 PolarHBondContact SG-NH1 3.07Å; V125-R130 HydrophobicContact CG1-CB 4.03Å; D126-R130 WeakPolarHBondContact O-CB 3.06Å; D126-R130 WeakPolarHBondContact O-CG 3.49Å; D126-R130 PolarHBondContact O-N 3.49Å; R130-R137 VanDerWaalsContact O-CD 3.31Å; R130-R137 WeakPolarHBondContact O-CD 3.44Å; R130-R137 PolarHBondContact O-NH1 3.43Å
131	N	96.9	Very high	97.2	Very high	121 Å²	121	63.2 Å²	63.2	65%	0.647	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-7	177.5	-65.1	-22.8	0	0	0	114.1	R129 R137	R129-N131 PolarHBondContact O-N 3.49Å; N131-R137 PolarHBondContact OD1-NH1 3.3Å
132	Q	96.8	Very high	97.1	Very high	147 Å²	147	65.5 Å²	65.5	69%	0.687	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-36.3	-177.8	-67.5	-177.8	-3.4	0	0	112.9	R129	R129-Q132 HydrophobicContact CB-CG 4.09Å; R129-Q132 WeakPolarHBondContact O-CB 3.29Å; R129-Q132 PolarHBondContact O-N 3.35Å
133	C	98.1	Very high	97.1	Very high	15 Å²	15	67.2 Å²	67.2	10%	0.101	33%	0.332	C	S	.	.			trans	-138.1	106.6	178.3	-174.5	0	0	0	0	111.5	C117 C123 A135 C136 R137	C117-C133 PolarHBondContact SG-SG 2.91Å; C123-C133 HydrophobicContact CB-CB 3.7Å; C133-A135 VanDerWaalsContact C-N 3.32Å; C133-A135 PolarHBondContact O-N 3.24Å; C133-C136 HydrophobicContact CB-CB 4.17Å; C133-C136 PolarHBondContact SG-N 3.32Å; C133-R137 WeakPolarHBondContact O-CB 3.26Å; C133-R137 PolarHBondContact O-N 2.95Å; C133-R137 VanDerWaalsContact O-N 3.08Å
134	Q	98	Very high	96.9	Very high	109 Å²	109	67.9 Å²	67.9	51%	0.509	33%	0.331	S	S	.	.	H	α-helix	trans	-65.6	-35.7	178.3	-65.2	178.8	-31.5	0	0	112	F104 Y115 R137 F138	F104-Q134 HydrophobicContact CE2-CB 4.16Å; F104-Q134 HydrophobicContact CE2-CG 4.18Å; F104-Q134 HydrophobicContact CZ-CB 4.21Å; F104-Q134 WeakPolarHBondContact CZ-O 3.35Å; Y115-Q134 HydrophobicContact CD1-CB 3.58Å; Y115-Q134 HydrophobicContact CD1-CG 4.45Å; Y115-Q134 HydrophobicContact CD2-CB 4.25Å; Y115-Q134 HydrophobicContact CE1-CB 3.82Å; Y115-Q134 HydrophobicContact CE1-CG 4.35Å; Y115-Q134 HydrophobicContact CE2-CB 4.45Å; Y115-Q134 HydrophobicContact CG-CB 3.8Å; Q134-R137 PolarHBondContact O-N 2.77Å; Q134-F138 WeakPolarHBondContact O-CB 3.05Å; Q134-F138 PolarHBondContact O-N 3.36Å
135	A	98.2	Very high	96.7	Very high	4 Å²	4	68.4 Å²	68.4	3%	0.033	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-53.7	178.1	0	0	0	0	0	111.8	C117 C133 R137 F138 N139	C117-A135 HydrophobicContact CB-CB 3.96Å; C133-A135 VanDerWaalsContact C-N 3.32Å; C133-A135 PolarHBondContact O-N 3.24Å; A135-R137 VanDerWaalsContact C-N 3.31Å; A135-R137 PolarHBondContact O-N 2.97Å; A135-F138 PolarHBondContact O-N 3.01Å; A135-N139 WeakPolarHBondContact O-CB 3.44Å; A135-N139 VanDerWaalsContact O-CG 3.26Å; A135-N139 PolarHBondContact O-N 2.74Å
136	C	98.3	Very high	96.5	Very high	8 Å²	8	68.2 Å²	68.2	5%	0.054	33%	0.334	C	S	.	.	H	α-helix	trans	-63.8	-37	178.3	-62.7	0	0	0	0	112	C117 G121 C123 V125 C133 K140	C117-C136 VanDerWaalsContact SG-SG 3.64Å; G121-C136 PolarHBondContact O-SG 3.1Å; C123-C136 HydrophobicContact CB-CB 3.78Å; C123-C136 VanDerWaalsContact CB-SG 3.59Å; C123-C136 PolarHBondContact N-SG 3.18Å; C123-C136 VanDerWaalsContact N-SG 3.4Å; C123-C136 VanDerWaalsContact SG-SG 3.67Å; V125-C136 HydrophobicContact CG2-CB 4.35Å; C133-C136 HydrophobicContact CB-CB 4.17Å; C133-C136 PolarHBondContact SG-N 3.32Å; C136-K140 WeakPolarHBondContact O-CB 3.16Å; C136-K140 PolarHBondContact O-N 3.22Å
137	R	98.5	Very high	96.2	Very high	10 Å²	10	68.5 Å²	68.5	4%	0.038	34%	0.335	C	S	.	.	H	α-helix	trans	-61.8	-46.1	174.2	-171.7	-171.1	-170.6	159	-2.4	112	G100 C101 F104 V125 R130 N131 C133 Q134 A135 K140 C141	G100-R137 PolarHBondContact O-NH2 2.74Å; G100-R137 VanDerWaalsContact O-NH2 3.14Å; C101-R137 PolarHBondContact SG-NH2 3.24Å; F104-R137 VanDerWaalsContact CD1-CD 3.49Å; F104-R137 HydrophobicContact CD1-CG 3.88Å; F104-R137 HydrophobicContact CE1-CB 3.95Å; F104-R137 HydrophobicContact CE1-CG 3.66Å; F104-R137 HydrophobicContact CZ-CB 4.13Å; F104-R137 HydrophobicContact CZ-CG 4.22Å; V125-R137 HydrophobicContact CG1-CB 4.43Å; V125-R137 HydrophobicContact CG1-CG 4.12Å; V125-R137 HydrophobicContact CG2-CB 4.39Å; R130-R137 VanDerWaalsContact O-CD 3.31Å; R130-R137 WeakPolarHBondContact O-CD 3.44Å; R130-R137 PolarHBondContact O-NH1 3.43Å; N131-R137 PolarHBondContact OD1-NH1 3.3Å; C133-R137 WeakPolarHBondContact O-CB 3.26Å; C133-R137 PolarHBondContact O-N 2.95Å; C133-R137 VanDerWaalsContact O-N 3.08Å; Q134-R137 PolarHBondContact O-N 2.77Å; A135-R137 VanDerWaalsContact C-N 3.31Å; A135-R137 PolarHBondContact O-N 2.97Å; R137-K140 PolarHBondContact O-N 3.12Å; R137-C141 PolarHBondContact O-N 3.25Å; R137-C141 PolarHBondContact O-SG 3.1Å
138	F	97.9	Very high	95.5	Very high	35 Å²	35	72 Å²	72	15%	0.154	34%	0.342	C	S	.	.	H	α-helix	trans	-67.6	-44.1	-179.9	-172.7	-115.6	0	0	0	111.7	F104 F105 S108 I109 Y115 Q134 A135 K140 C141 L142	F104-F138 HydrophobicContact CE1-CB 3.78Å; F104-F138 HydrophobicContact CE1-CD2 4.18Å; F104-F138 HydrophobicContact CE1-CG 4.48Å; F104-F138 HydrophobicContact CZ-CB 3.96Å; F105-F138 HydrophobicContact CD2-CD2 4.18Å; F105-F138 AromaticContact CD2-CE2 3.8Å; F105-F138 HydrophobicContact CD2-CE2 3.8Å; F105-F138 AromaticContact CE2-CE2 3.84Å; F105-F138 HydrophobicContact CE2-CE2 3.84Å; S108-F138 VanDerWaalsContact CB-CD2 3.48Å; I109-F138 HydrophobicContact CG2-CE2 4.17Å; I109-F138 HydrophobicContact CG2-CZ 4.35Å; Y115-F138 HydrophobicContact CD2-CB 3.82Å; Y115-F138 HydrophobicContact CD2-CD1 4.37Å; Y115-F138 HydrophobicContact CD2-CG 4.14Å; Y115-F138 HydrophobicContact CE2-CB 4.07Å; Y115-F138 HydrophobicContact CE2-CG 4.21Å; Q134-F138 WeakPolarHBondContact O-CB 3.05Å; Q134-F138 PolarHBondContact O-N 3.36Å; A135-F138 PolarHBondContact O-N 3.01Å; F138-K140 VanDerWaalsContact C-N 3.28Å; F138-K140 PolarHBondContact O-N 2.97Å; F138-C141 WeakPolarHBondContact O-CA 3.39Å; F138-C141 VanDerWaalsContact O-CB 3.3Å; F138-C141 WeakPolarHBondContact O-CB 3.32Å; F138-C141 PolarHBondContact O-N 3.13Å; F138-L142 HydrophobicContact CD1-CD1 4.09Å; F138-L142 HydrophobicContact CE1-CD1 3.75Å; F138-L142 HydrophobicContact CE1-CG 4.31Å; F138-L142 HydrophobicContact CZ-CD1 4.22Å; F138-L142 HydrophobicContact CZ-CD2 4.28Å; F138-L142 HydrophobicContact CZ-CG 4.36Å; F138-L142 PolarHBondContact O-N 3.12Å
139	N	96.9	Very high	94.5	Very high	92 Å²	92	70.9 Å²	70.9	49%	0.492	34%	0.337	S	S	.	.	H	α-helix	trans	-59.1	-39.7	174.2	-69.8	-11.8	0	0	0	111.7	A135 L142 K143	A135-N139 WeakPolarHBondContact O-CB 3.44Å; A135-N139 VanDerWaalsContact O-CG 3.26Å; A135-N139 PolarHBondContact O-N 2.74Å; N139-L142 PolarHBondContact O-N 3Å; N139-K143 WeakPolarHBondContact O-CB 3.39Å; N139-K143 PolarHBondContact O-N 3.41Å
140	K	97.5	Very high	92.9	Very high	70 Å²	70	68.5 Å²	68.5	30%	0.304	34%	0.34	S	S	.	.	H	α-helix	trans	-65.5	-38.2	174.1	-166.2	172.8	-176.4	-173	0	112.2	V83 V125 C136 R137 F138 L142 K143 M144	V83-K140 HydrophobicContact CG1-CB 4.43Å; V83-K140 HydrophobicContact CG1-CD 4.39Å; V83-K140 HydrophobicContact CG1-CG 4.33Å; V83-K140 WeakPolarHBondContact O-CD 3.4Å; V83-K140 WeakPolarHBondContact O-CE 3.28Å; V83-K140 PolarHBondContact O-NZ 3.08Å; V125-K140 HydrophobicContact CB-CD 3.69Å; V125-K140 HydrophobicContact CG1-CD 4.1Å; V125-K140 HydrophobicContact CG2-CD 4.12Å; V125-K140 PolarHBondContact O-NZ 2.87Å; C136-K140 WeakPolarHBondContact O-CB 3.16Å; C136-K140 PolarHBondContact O-N 3.22Å; R137-K140 PolarHBondContact O-N 3.12Å; F138-K140 VanDerWaalsContact C-N 3.28Å; F138-K140 PolarHBondContact O-N 2.97Å; K140-L142 VanDerWaalsContact C-N 3.34Å; K140-L142 PolarHBondContact O-N 2.89Å; K140-K143 PolarHBondContact O-N 2.85Å; K140-M144 WeakPolarHBondContact O-CG 3.47Å; K140-M144 PolarHBondContact O-N 3.35Å
141	C	97	Very high	90.9	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-58.3	-47.7	173.5	-62.1	0	0	0	0	111.1	F105 R137 F138 M144 M146	F105-C141 HydrophobicContact CD2-CB 3.57Å; F105-C141 HydrophobicContact CE2-CB 4.03Å; R137-C141 PolarHBondContact O-N 3.25Å; R137-C141 PolarHBondContact O-SG 3.1Å; F138-C141 WeakPolarHBondContact O-CA 3.39Å; F138-C141 VanDerWaalsContact O-CB 3.3Å; F138-C141 WeakPolarHBondContact O-CB 3.32Å; F138-C141 PolarHBondContact O-N 3.13Å; C141-M144 PolarHBondContact O-N 3.29Å; C141-M146 HydrophobicContact CB-CB 4.28Å; C141-M146 HydrophobicContact CB-CG 4.32Å; C141-M146 HydrophobicContact CB-SD 3.65Å; C141-M146 VanDerWaalsContact O-CB 3.25Å; C141-M146 WeakPolarHBondContact O-CB 3.14Å; C141-M146 WeakPolarHBondContact O-CG 3.24Å; C141-M146 PolarHBondContact O-N 3.19Å
142	L	95.1	Very high	89	Confident	80 Å²	80	73.3 Å²	73.3	42%	0.419	36%	0.358	S	S	.	.	H	α-helix	trans	-63.2	-42.5	177.3	-63.1	175.3	0	0	0	111.9	F105 F138 N139 K140 M144 N145	F105-L142 HydrophobicContact CE2-CD2 3.92Å; F105-L142 HydrophobicContact CZ-CD2 4.38Å; F138-L142 HydrophobicContact CD1-CD1 4.09Å; F138-L142 HydrophobicContact CE1-CD1 3.75Å; F138-L142 HydrophobicContact CE1-CG 4.31Å; F138-L142 HydrophobicContact CZ-CD1 4.22Å; F138-L142 HydrophobicContact CZ-CD2 4.28Å; F138-L142 HydrophobicContact CZ-CG 4.36Å; F138-L142 PolarHBondContact O-N 3.12Å; N139-L142 PolarHBondContact O-N 3Å; K140-L142 VanDerWaalsContact C-N 3.34Å; K140-L142 PolarHBondContact O-N 2.89Å; L142-M144 VanDerWaalsContact C-N 3.29Å; L142-M144 PolarHBondContact O-N 3.29Å; L142-N145 WeakPolarHBondContact O-CA 3.37Å; L142-N145 PolarHBondContact O-N 3.06Å
143	K	95.2	Very high	87	Confident	172 Å²	172	75.9 Å²	75.9	75%	0.748	36%	0.361	S	S	*	.	H	α-helix	trans	-61.1	-35.5	178.2	-172.1	176.8	-178.4	178.4	0	112.8	N139 K140 N145	N139-K143 WeakPolarHBondContact O-CB 3.39Å; N139-K143 PolarHBondContact O-N 3.41Å; K140-K143 PolarHBondContact O-N 2.85Å; K143-N145 PolarHBondContact O-N 3.35Å
144	M	93.9	Very high	84.7	Confident	61 Å²	61	81.5 Å²	81.5	30%	0.3	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	7.2	174.7	-57.9	-45.1	-72.5	0	0	113.2	R82 V83 V95 K140 C141 L142	R82-M144 HydrophobicContact CB-CE 3.74Å; R82-M144 HydrophobicContact CB-CG 4.34Å; R82-M144 HydrophobicContact CG-CE 4.34Å; V83-M144 HydrophobicContact CG2-CG 4.37Å; V95-M144 HydrophobicContact CG1-CB 4.16Å; V95-M144 WeakPolarHBondContact CG2-O 3.4Å; K140-M144 WeakPolarHBondContact O-CG 3.47Å; K140-M144 PolarHBondContact O-N 3.35Å; C141-M144 PolarHBondContact O-N 3.29Å; L142-M144 VanDerWaalsContact C-N 3.29Å; L142-M144 PolarHBondContact O-N 3.29Å
145	N	92.8	Very high	82.7	Confident	114 Å²	114	81.9 Å²	81.9	61%	0.61	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	33.3	-175.8	-61.9	-50.5	0	0	0	114.6	L142 K143 N147	L142-N145 WeakPolarHBondContact O-CA 3.37Å; L142-N145 PolarHBondContact O-N 3.06Å; K143-N145 PolarHBondContact O-N 3.35Å; N145-N147 PolarHBondContact O-N 2.97Å
146	M	93.3	Very high	80.6	Confident	5 Å²	5	83.6 Å²	83.6	3%	0.025	40%	0.395	C	S	.	.			trans	-66.9	119.1	165.6	-70.3	-172.2	164.7	0	0	109.6	V83 Y93 V95 S97 F105 C141	V83-M146 HydrophobicContact CG2-CE 3.52Å; V83-M146 HydrophobicContact CG2-SD 3.99Å; Y93-M146 VanDerWaalsContact O-CA 3.29Å; Y93-M146 WeakPolarHBondContact O-CA 3.29Å; V95-M146 HydrophobicContact CB-CE 4.18Å; V95-M146 HydrophobicContact CB-CG 3.96Å; V95-M146 HydrophobicContact CG1-CE 4.48Å; V95-M146 HydrophobicContact CG2-CB 4.46Å; V95-M146 HydrophobicContact CG2-CG 3.76Å; S97-M146 WeakPolarHBondContact OG-CE 3.46Å; F105-M146 HydrophobicContact CB-SD 4.31Å; F105-M146 HydrophobicContact CD1-CB 4.39Å; F105-M146 HydrophobicContact CD2-CB 4.04Å; F105-M146 HydrophobicContact CD2-SD 4.25Å; F105-M146 HydrophobicContact CE1-CB 4.09Å; F105-M146 HydrophobicContact CE2-CB 3.72Å; F105-M146 HydrophobicContact CG-CB 4.36Å; F105-M146 HydrophobicContact CG-SD 4.21Å; F105-M146 HydrophobicContact CZ-CB 3.75Å; F105-M146 WeakPolarHBondContact CZ-O 3.38Å; C141-M146 HydrophobicContact CB-CB 4.28Å; C141-M146 HydrophobicContact CB-CG 4.32Å; C141-M146 HydrophobicContact CB-SD 3.65Å; C141-M146 VanDerWaalsContact O-CB 3.25Å; C141-M146 WeakPolarHBondContact O-CB 3.14Å; C141-M146 WeakPolarHBondContact O-CG 3.24Å; C141-M146 PolarHBondContact O-N 3.19Å
147	N	89	Confident	78.5	Confident	46 Å²	46	84.8 Å²	84.8	25%	0.246	40%	0.402	C	S	.	.			trans	-125.4	150.8	-177.1	66.5	11.1	0	0	0	112.7	Y93 N145 D149 G150 K151	Y93-N147 VanDerWaalsContact CB-O 3.25Å; Y93-N147 WeakPolarHBondContact CB-O 3.25Å; Y93-N147 VanDerWaalsContact CD1-O 3.26Å; Y93-N147 WeakPolarHBondContact CD1-O 3.3Å; Y93-N147 PolarHBondContact O-N 2.87Å; Y93-N147 PolarHBondContact O-OD1 3.46Å; N145-N147 PolarHBondContact O-N 2.97Å; N147-D149 PolarHBondContact O-N 2.93Å; N147-G150 PolarHBondContact O-N 2.98Å; N147-G150 WeakPolarHBondContact OD1-CA 3.49Å; N147-G150 PolarHBondContact OD1-N 3.35Å; N147-K151 PolarHBondContact ND2-O 3.14Å
148	R	82.3	Confident	76.7	Confident	138 Å²	138	90.3 Å²	90.3	52%	0.521	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-37	-178.7	-62	-170.4	-179.9	-125.8	-0.4	112	I109 G150	I109-R148 HydrophobicContact CB-CG 4.27Å; I109-R148 VanDerWaalsContact CB-CZ 3.44Å; I109-R148 HydrophobicContact CD1-CB 4.47Å; I109-R148 HydrophobicContact CD1-CG 3.92Å; I109-R148 HydrophobicContact CG2-CG 4.25Å; I109-R148 PolarHBondContact O-NH1 3.02Å; I109-R148 PolarHBondContact O-NH2 3.36Å; R148-G150 PolarHBondContact O-N 3.13Å
149	D	76.7	Confident	75.2	Confident	130 Å²	130	93.6 Å²	93.6	70%	0.695	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-12.6	-173.7	-56.2	-42.8	0	0	0	112.7	N147 K151	N147-D149 PolarHBondContact O-N 2.93Å; D149-K151 HydrophobicContact CB-CB 4.37Å; D149-K151 HydrophobicContact CB-CG 4.44Å; D149-K151 PolarHBondContact O-N 3.35Å
150	G	62.5	Low	73.3	Confident	38 Å²	38	92 Å²	92	39%	0.392	43%	0.431	S	S	.	.			trans	62.4	-5.4	-175.4	0	0	0	0	0	114.4	N147 R148 Q152	N147-G150 PolarHBondContact O-N 2.98Å; N147-G150 WeakPolarHBondContact OD1-CA 3.49Å; N147-G150 PolarHBondContact OD1-N 3.35Å; R148-G150 PolarHBondContact O-N 3.13Å; G150-Q152 PolarHBondContact O-N 3.31Å
151	K	54.5	Low	71.5	Confident	162 Å²	162	91.3 Å²	91.3	70%	0.704	43%	0.431	S	S	*	.			trans	-80	104.4	179.5	-68.2	178.4	-174.8	-179.2	0	107.6	N147 D149 R153	N147-K151 PolarHBondContact ND2-O 3.14Å; D149-K151 HydrophobicContact CB-CB 4.37Å; D149-K151 HydrophobicContact CB-CG 4.44Å; D149-K151 PolarHBondContact O-N 3.35Å; K151-R153 PolarHBondContact O-N 3.03Å
152	Q	57.6	Low	69.8	Low	103 Å²	103	96.5 Å²	96.5	48%	0.481	46%	0.458	S	S	.	.			trans	-55.8	126.8	159.4	-62.9	-175.7	5.8	0	0	106.3	G94 G150 Q154	G94-Q152 PolarHBondContact O-NE2 3.25Å; G150-Q152 PolarHBondContact O-N 3.31Å; Q152-Q154 PolarHBondContact O-N 3.32Å
153	R	53.4	Low	68.2	Low	201 Å²	201	97.9 Å²	97.9	76%	0.758	46%	0.462	S	S	*	.			trans	-58	112.5	165.3	-76	-177.3	174	163.8	-3.1	104.4	K151 Q155	K151-R153 PolarHBondContact O-N 3.03Å; R153-Q155 PolarHBondContact O-N 2.87Å
154	Q	51.2	Low	66.5	Low	133 Å²	133	91.2 Å²	91.2	62%	0.621	44%	0.436	S	S	*	.			trans	-55.6	107.2	-176.7	-69.1	179.9	-3.4	0	0	107.5	Q152 F156	Q152-Q154 PolarHBondContact O-N 3.32Å; Q154-F156 HydrophobicContact CB-CD2 4.41Å; Q154-F156 HydrophobicContact CB-CE2 3.89Å; Q154-F156 HydrophobicContact CB-CZ 3.97Å; Q154-F156 WeakPolarHBondContact O-CD2 3.42Å; Q154-F156 PolarHBondContact O-N 3.36Å; Q154-F156 VanDerWaalsContact O-N 3.14Å
155	Q	54.1	Low	64.8	Low	117 Å²	117	92.4 Å²	92.4	55%	0.547	44%	0.443	S	S	.	.			trans	-76.7	99.3	170.6	-172.8	171.6	-2.2	0	0	105.2	R153	R153-Q155 PolarHBondContact O-N 2.87Å
156	F	54.6	Low	63.4	Low	40 Å²	40	91.9 Å²	91.9	18%	0.175	44%	0.44	C	S	.	.			trans	-70.6	129.3	174.3	-69.2	-78.7	0	0	0	108.1	Y57 Q154 Y160	Y57-F156 HydrophobicContact CE1-CD2 4.05Å; Q154-F156 HydrophobicContact CB-CD2 4.41Å; Q154-F156 HydrophobicContact CB-CE2 3.89Å; Q154-F156 HydrophobicContact CB-CZ 3.97Å; Q154-F156 WeakPolarHBondContact O-CD2 3.42Å; Q154-F156 PolarHBondContact O-N 3.36Å; Q154-F156 VanDerWaalsContact O-N 3.14Å; F156-Y160 HydrophobicContact CB-CD1 4.19Å; F156-Y160 AromaticContact CD1-CD1 3.68Å; F156-Y160 HydrophobicContact CD1-CD1 3.68Å; F156-Y160 AromaticContact CD1-CE1 3.89Å; F156-Y160 HydrophobicContact CD1-CE1 3.89Å; F156-Y160 HydrophobicContact CD1-CG 4.15Å; F156-Y160 HydrophobicContact CE1-CD1 4.37Å; F156-Y160 HydrophobicContact CE1-CE1 4.12Å; F156-Y160 HydrophobicContact CG-CD1 4.08Å
157	P	54.9	Low	62.1	Low	33 Å²	33	94.5 Å²	94.5	21%	0.214	45%	0.452	C	S	.	.			trans	-54.1	147.8	173.5	-27.5	36.2	0	0	0	111.3	Y159 Y160	P157-Y159 HydrophobicContact CB-CD1 3.25Å; P157-Y159 HydrophobicContact CB-CE1 3.22Å; P157-Y159 HydrophobicContact CB-CG 4.28Å; P157-Y159 HydrophobicContact CG-CD1 4.1Å; P157-Y159 HydrophobicContact CG-CE1 3.52Å; P157-Y159 PolarHBondContact O-N 3.25Å; P157-Y159 VanDerWaalsContact O-N 3.07Å; P157-Y160 VanDerWaalsContact O-CB 3.3Å; P157-Y160 WeakPolarHBondContact O-CB 3.33Å; P157-Y160 PolarHBondContact O-N 3Å
158	L	60.4	Low	60.5	Low	126 Å²	126	95.5 Å²	95.5	66%	0.66	46%	0.462	S	S	*	.	H	α-helix	trans	-54.5	-32.8	-178.8	-163.7	71.7	0	0	0	112.4	Y160 I161 L162	L158-Y160 VanDerWaalsContact C-N 3.26Å; L158-Y160 PolarHBondContact O-N 2.77Å; L158-I161 HydrophobicContact CD1-CD1 4.46Å; L158-I161 PolarHBondContact O-N 3.46Å; L158-I161 VanDerWaalsContact O-N 3.17Å; L158-L162 WeakPolarHBondContact O-CG 3.46Å; L158-L162 PolarHBondContact O-N 3.11Å
159	Y	67.5	Low	59.5	Low	104 Å²	104	93.8 Å²	93.8	41%	0.408	46%	0.463	S	S	.	.	H	α-helix	trans	-60.3	-34.8	175.9	82.6	-99.9	0	0	0	112.7	H17 P157 L162 Q163	H17-Y159 PolarHBondContact CE1-OH 3.12Å; H17-Y159 PolarHBondContact NE2-OH 2.85Å; P157-Y159 HydrophobicContact CB-CD1 3.25Å; P157-Y159 HydrophobicContact CB-CE1 3.22Å; P157-Y159 HydrophobicContact CB-CG 4.28Å; P157-Y159 HydrophobicContact CG-CD1 4.1Å; P157-Y159 HydrophobicContact CG-CE1 3.52Å; P157-Y159 PolarHBondContact O-N 3.25Å; P157-Y159 VanDerWaalsContact O-N 3.07Å; Y159-L162 PolarHBondContact O-N 3.36Å; Y159-Q163 VanDerWaalsContact O-CB 3.31Å; Y159-Q163 WeakPolarHBondContact O-CB 3.3Å; Y159-Q163 PolarHBondContact O-N 3.46Å
160	Y	56.4	Low	58.9	Low	59 Å²	59	92 Å²	92	23%	0.231	45%	0.453	C	S	.	.	H	α-helix	trans	-68.6	-39.3	178.5	-162.3	-95.3	0	0	0	110.6	F156 P157 L158 Q163 T164	F156-Y160 HydrophobicContact CB-CD1 4.19Å; F156-Y160 AromaticContact CD1-CD1 3.68Å; F156-Y160 HydrophobicContact CD1-CD1 3.68Å; F156-Y160 AromaticContact CD1-CE1 3.89Å; F156-Y160 HydrophobicContact CD1-CE1 3.89Å; F156-Y160 HydrophobicContact CD1-CG 4.15Å; F156-Y160 HydrophobicContact CE1-CD1 4.37Å; F156-Y160 HydrophobicContact CE1-CE1 4.12Å; F156-Y160 HydrophobicContact CG-CD1 4.08Å; P157-Y160 VanDerWaalsContact O-CB 3.3Å; P157-Y160 WeakPolarHBondContact O-CB 3.33Å; P157-Y160 PolarHBondContact O-N 3Å; L158-Y160 VanDerWaalsContact C-N 3.26Å; L158-Y160 PolarHBondContact O-N 2.77Å; Y160-Q163 PolarHBondContact O-N 3.5Å; Y160-T164 HydrophobicContact CD1-CG2 4.37Å; Y160-T164 HydrophobicContact CE1-CG2 4.28Å; Y160-T164 WeakPolarHBondContact O-CG2 2.98Å; Y160-T164 PolarHBondContact O-N 2.76Å; Y160-T164 PolarHBondContact O-OG1 3.22Å
161	I	59.5	Low	58.7	Low	56 Å²	56	95.2 Å²	95.2	29%	0.287	45%	0.453	S	S	.	.	H	α-helix	trans	-64.3	-47.9	174.5	-60.8	170.9	0	0	0	110.1	L158 Q163 T164 N165	L158-I161 HydrophobicContact CD1-CD1 4.46Å; L158-I161 PolarHBondContact O-N 3.46Å; L158-I161 VanDerWaalsContact O-N 3.17Å; I161-Q163 VanDerWaalsContact C-N 3.3Å; I161-Q163 PolarHBondContact O-N 2.93Å; I161-T164 WeakPolarHBondContact CA-OG1 3.19Å; I161-T164 PolarHBondContact O-N 2.96Å; I161-T164 PolarHBondContact O-OG1 2.89Å; I161-N165 PolarHBondContact O-N 3.08Å; I161-N165 PolarHBondContact O-ND2 3.23Å
162	L	60.4	Low	58.9	Low	108 Å²	108	90 Å²	90	57%	0.565	44%	0.437	S	S	*	.	H	α-helix	trans	-58.4	-42.5	176.5	-68.7	173.8	0	0	0	111.9	L158 Y159 T164 N165 L166	L158-L162 WeakPolarHBondContact O-CG 3.46Å; L158-L162 PolarHBondContact O-N 3.11Å; Y159-L162 PolarHBondContact O-N 3.36Å; L162-T164 PolarHBondContact O-N 2.78Å; L162-N165 PolarHBondContact O-N 3.03Å; L162-L166 WeakPolarHBondContact O-CB 3.29Å; L162-L166 PolarHBondContact O-N 3.48Å
163	Q	61.9	Low	59	Low	109 Å²	109	89.9 Å²	89.9	51%	0.509	44%	0.438	S	S	.	.	H	α-helix	trans	-64.8	-39.3	177.7	-169.2	171.6	-4.4	0	0	111.9	Y159 Y160 I161 L166 H167	Y159-Q163 VanDerWaalsContact O-CB 3.31Å; Y159-Q163 WeakPolarHBondContact O-CB 3.3Å; Y159-Q163 PolarHBondContact O-N 3.46Å; Y160-Q163 PolarHBondContact O-N 3.5Å; I161-Q163 VanDerWaalsContact C-N 3.3Å; I161-Q163 PolarHBondContact O-N 2.93Å; Q163-L166 PolarHBondContact O-N 2.98Å; Q163-H167 WeakPolarHBondContact O-CB 3.31Å; Q163-H167 PolarHBondContact O-N 3.03Å
164	T	59.2	Low	59.3	Low	33 Å²	33	83.9 Å²	83.9	20%	0.202	42%	0.418	C	S	.	.	H	α-helix	trans	-67.6	-37.5	173.7	57.3	0	0	0	0	112.8	Y160 I161 L162 H167 C168	Y160-T164 HydrophobicContact CD1-CG2 4.37Å; Y160-T164 HydrophobicContact CE1-CG2 4.28Å; Y160-T164 WeakPolarHBondContact O-CG2 2.98Å; Y160-T164 PolarHBondContact O-N 2.76Å; Y160-T164 PolarHBondContact O-OG1 3.22Å; I161-T164 WeakPolarHBondContact CA-OG1 3.19Å; I161-T164 PolarHBondContact O-N 2.96Å; I161-T164 PolarHBondContact O-OG1 2.89Å; L162-T164 PolarHBondContact O-N 2.78Å; T164-H167 PolarHBondContact O-N 3.43Å; T164-C168 PolarHBondContact O-N 2.9Å
165	N	58.2	Low	59.7	Low	85 Å²	85	81.3 Å²	81.3	46%	0.455	41%	0.411	S	S	.	.	H	α-helix	trans	-65.5	-43.4	175.2	-72.7	-28.9	0	0	0	111.2	I161 L162 H167 C168 L169	I161-N165 PolarHBondContact O-N 3.08Å; I161-N165 PolarHBondContact O-ND2 3.23Å; L162-N165 PolarHBondContact O-N 3.03Å; N165-H167 VanDerWaalsContact C-N 3.33Å; N165-H167 PolarHBondContact O-N 3.34Å; N165-C168 PolarHBondContact O-N 2.93Å; N165-L169 WeakPolarHBondContact O-CB 3.48Å; N165-L169 WeakPolarHBondContact O-CG 3.42Å; N165-L169 PolarHBondContact O-N 3.33Å
166	L	64.6	Low	59.4	Low	103 Å²	103	81.9 Å²	81.9	54%	0.539	41%	0.414	S	S	.	.	H	α-helix	trans	-61.1	-43	174.6	-171.8	67.2	0	0	0	111.1	L162 Q163 C168 L169 L170	L162-L166 WeakPolarHBondContact O-CB 3.29Å; L162-L166 PolarHBondContact O-N 3.48Å; Q163-L166 PolarHBondContact O-N 2.98Å; L166-C168 PolarHBondContact O-N 2.88Å; L166-L169 PolarHBondContact O-N 2.9Å; L166-L170 HydrophobicContact CG-CD1 4.13Å; L166-L170 HydrophobicContact CG-CG 4.5Å; L166-L170 WeakPolarHBondContact O-CB 3.13Å; L166-L170 VanDerWaalsContact O-CG 3.27Å; L166-L170 WeakPolarHBondContact O-CG 3.33Å; L166-L170 PolarHBondContact O-N 3.38Å
167	H	64.7	Low	59.4	Low	61 Å²	61	82.9 Å²	82.9	28%	0.282	43%	0.43	S	S	.	.	H	α-helix	trans	-62.6	-39.7	176.1	-173.7	-91.4	0	0	0	112.5	Q163 T164 N165 R171	Q163-H167 WeakPolarHBondContact O-CB 3.31Å; Q163-H167 PolarHBondContact O-N 3.03Å; T164-H167 PolarHBondContact O-N 3.43Å; N165-H167 VanDerWaalsContact C-N 3.33Å; N165-H167 PolarHBondContact O-N 3.34Å; H167-R171 WeakPolarHBondContact O-CB 3.43Å; H167-R171 PolarHBondContact O-N 2.91Å; H167-R171 VanDerWaalsContact O-N 3.11Å
168	C	55.5	Low	59.4	Low	67 Å²	67	87.4 Å²	87.4	45%	0.453	45%	0.446	S	S	.	.	H	α-helix	trans	-67.8	-40.9	174.3	-81.7	0	0	0	0	113	T164 N165 L166 R171 S172	T164-C168 PolarHBondContact O-N 2.9Å; N165-C168 PolarHBondContact O-N 2.93Å; L166-C168 PolarHBondContact O-N 2.88Å; C168-R171 WeakPolarHBondContact O-CB 3.39Å; C168-R171 PolarHBondContact O-N 2.87Å; C168-S172 PolarHBondContact O-N 3.02Å
169	L	62.6	Low	59	Low	102 Å²	102	85.5 Å²	85.5	53%	0.534	45%	0.449	S	S	.	.	H	α-helix	trans	-65.8	-42.4	176.2	-72.8	170.5	0	0	0	111.8	N165 L166 R171 S172 I173	N165-L169 WeakPolarHBondContact O-CB 3.48Å; N165-L169 WeakPolarHBondContact O-CG 3.42Å; N165-L169 PolarHBondContact O-N 3.33Å; L166-L169 PolarHBondContact O-N 2.9Å; L169-R171 PolarHBondContact O-N 2.72Å; L169-S172 PolarHBondContact O-N 3.42Å; L169-S172 PolarHBondContact O-OG 2.79Å; L169-I173 WeakPolarHBondContact O-CD1 3.42Å; L169-I173 VanDerWaalsContact O-CG1 3.29Å; L169-I173 WeakPolarHBondContact O-CG1 3.39Å; L169-I173 PolarHBondContact O-N 2.68Å
170	L	62.4	Low	57.9	Low	93 Å²	93	87.9 Å²	87.9	49%	0.487	48%	0.48	S	S	.	.	H	α-helix	trans	-62	-33.6	174.1	-71.8	171.4	0	0	0	111.3	L166 F174	L166-L170 HydrophobicContact CG-CD1 4.13Å; L166-L170 HydrophobicContact CG-CG 4.5Å; L166-L170 WeakPolarHBondContact O-CB 3.13Å; L166-L170 VanDerWaalsContact O-CG 3.27Å; L166-L170 WeakPolarHBondContact O-CG 3.33Å; L166-L170 PolarHBondContact O-N 3.38Å; L170-F174 WeakPolarHBondContact O-CB 3.35Å; L170-F174 PolarHBondContact O-N 3.08Å
171	R	59.9	Low	57.9	Low	104 Å²	104	89.4 Å²	89.4	39%	0.392	49%	0.493	S	S	.	.	H	α-helix	trans	-66.2	-42.4	174.1	-168.7	179.4	-177.1	-100.6	1.2	112.4	H167 C168 L169 F174 V175	H167-R171 WeakPolarHBondContact O-CB 3.43Å; H167-R171 PolarHBondContact O-N 2.91Å; H167-R171 VanDerWaalsContact O-N 3.11Å; C168-R171 WeakPolarHBondContact O-CB 3.39Å; C168-R171 PolarHBondContact O-N 2.87Å; L169-R171 PolarHBondContact O-N 2.72Å; R171-F174 PolarHBondContact O-N 3.45Å; R171-V175 VanDerWaalsContact O-CG2 3.31Å; R171-V175 WeakPolarHBondContact O-CG2 3.12Å; R171-V175 PolarHBondContact O-N 3.42Å
172	S	57.4	Low	57.9	Low	52 Å²	52	91.1 Å²	91.1	36%	0.364	50%	0.504	S	S	.	.	H	α-helix	trans	-64.6	-42.5	176.7	55.2	0	0	0	0	111.4	C168 L169 F174 V175 E176	C168-S172 PolarHBondContact O-N 3.02Å; L169-S172 PolarHBondContact O-N 3.42Å; L169-S172 PolarHBondContact O-OG 2.79Å; S172-F174 VanDerWaalsContact C-N 3.34Å; S172-F174 PolarHBondContact O-N 3.38Å; S172-V175 PolarHBondContact O-N 3.49Å; S172-E176 WeakPolarHBondContact O-CG 3.39Å; S172-E176 PolarHBondContact O-N 3.47Å; S172-E176 VanDerWaalsContact O-N 3.08Å
173	I	60.5	Low	57.7	Low	101 Å²	101	90.2 Å²	90.2	52%	0.518	50%	0.5	S	S	.	.	H	α-helix	trans	-62.1	-41.8	176.9	-63	163.4	0	0	0	111.1	L169 A177	L169-I173 WeakPolarHBondContact O-CD1 3.42Å; L169-I173 VanDerWaalsContact O-CG1 3.29Å; L169-I173 WeakPolarHBondContact O-CG1 3.39Å; L169-I173 PolarHBondContact O-N 2.68Å; I173-A177 WeakPolarHBondContact O-CB 3.37Å; I173-A177 PolarHBondContact O-N 3.3Å
174	F	59.2	Low	57.5	Low	75 Å²	75	89.1 Å²	89.1	33%	0.329	50%	0.5	S	S	.	.	H	α-helix	trans	-69.7	-38.6	179.7	-165.7	-90.7	0	0	0	112.7	L170 R171 S172 A177 F178	L170-F174 WeakPolarHBondContact O-CB 3.35Å; L170-F174 PolarHBondContact O-N 3.08Å; R171-F174 PolarHBondContact O-N 3.45Å; S172-F174 VanDerWaalsContact C-N 3.34Å; S172-F174 PolarHBondContact O-N 3.38Å; F174-A177 PolarHBondContact O-N 3.47Å; F174-F178 AromaticContact CD1-CD2 3.87Å; F174-F178 HydrophobicContact CD1-CD2 3.87Å; F174-F178 HydrophobicContact CD1-CE2 4.13Å; F174-F178 HydrophobicContact CD2-CD2 4.31Å; F174-F178 AromaticContact CD2-CE2 3.98Å; F174-F178 HydrophobicContact CD2-CE2 3.98Å; F174-F178 AromaticContact CE1-CD2 3.56Å; F174-F178 HydrophobicContact CE1-CD2 3.56Å; F174-F178 AromaticContact CE1-CE2 3.52Å; F174-F178 HydrophobicContact CE1-CE2 3.52Å; F174-F178 HydrophobicContact CE1-CG 4.33Å; F174-F178 HydrophobicContact CE1-CZ 4.25Å; F174-F178 HydrophobicContact CE2-CD2 4.05Å; F174-F178 AromaticContact CE2-CE2 3.35Å; F174-F178 HydrophobicContact CE2-CE2 3.35Å; F174-F178 HydrophobicContact CE2-CZ 4.15Å; F174-F178 HydrophobicContact CG-CD2 4.24Å; F174-F178 HydrophobicContact CG-CE2 4.35Å; F174-F178 AromaticContact CZ-CD2 3.67Å; F174-F178 HydrophobicContact CZ-CD2 3.67Å; F174-F178 AromaticContact CZ-CE2 3.09Å; F174-F178 HydrophobicContact CZ-CE2 3.09Å; F174-F178 AromaticContact CZ-CZ 3.67Å; F174-F178 HydrophobicContact CZ-CZ 3.67Å; F174-F178 WeakPolarHBondContact O-CD2 3.17Å; F174-F178 PolarHBondContact O-N 3.11Å
175	V	58.9	Low	57.4	Low	79 Å²	79	92.6 Å²	92.6	48%	0.479	52%	0.518	S	S	.	.	H	α-helix	trans	-64.7	-41.5	176.1	172.9	0	0	0	0	110.9	R171 S172 F178 A179	R171-V175 VanDerWaalsContact O-CG2 3.31Å; R171-V175 WeakPolarHBondContact O-CG2 3.12Å; R171-V175 PolarHBondContact O-N 3.42Å; S172-V175 PolarHBondContact O-N 3.49Å; V175-F178 PolarHBondContact O-N 3.47Å; V175-A179 VanDerWaalsContact O-CB 3.31Å; V175-A179 WeakPolarHBondContact O-CB 3.43Å; V175-A179 PolarHBondContact O-N 3.46Å; V175-A179 VanDerWaalsContact O-N 3.07Å
176	E	49.6	Very low	57.3	Low	130 Å²	130	93.1 Å²	93.1	61%	0.607	52%	0.523	S	S	*	.	H	α-helix	trans	-64.6	-39.6	176.4	-72.1	172.6	-177.3	0	0	112.1	S172 F178 A179 S180	S172-E176 WeakPolarHBondContact O-CG 3.39Å; S172-E176 PolarHBondContact O-N 3.47Å; S172-E176 VanDerWaalsContact O-N 3.08Å; E176-F178 VanDerWaalsContact C-N 3.32Å; E176-F178 PolarHBondContact O-N 3.39Å; E176-A179 PolarHBondContact O-N 3.26Å; E176-S180 PolarHBondContact O-N 3.2Å; E176-S180 PolarHBondContact O-OG 3.4Å
177	A	53.5	Low	56.8	Low	61 Å²	61	92.4 Å²	92.4	50%	0.504	52%	0.521	S	S	.	.	H	α-helix	trans	-69.1	-23.4	-179.6	0	0	0	0	0	114.8	I173 F174	I173-A177 WeakPolarHBondContact O-CB 3.37Å; I173-A177 PolarHBondContact O-N 3.3Å; F174-A177 PolarHBondContact O-N 3.47Å
178	F	54.8	Low	56.2	Low	128 Å²	128	94.8 Å²	94.8	56%	0.561	54%	0.54	S	S	*	.	H	α-helix	trans	-102.8	-11.7	177.6	-82.5	-94.6	0	0	0	113.7	F174 V175 E176 S180	F174-F178 AromaticContact CD1-CD2 3.87Å; F174-F178 HydrophobicContact CD1-CD2 3.87Å; F174-F178 HydrophobicContact CD1-CE2 4.13Å; F174-F178 HydrophobicContact CD2-CD2 4.31Å; F174-F178 AromaticContact CD2-CE2 3.98Å; F174-F178 HydrophobicContact CD2-CE2 3.98Å; F174-F178 AromaticContact CE1-CD2 3.56Å; F174-F178 HydrophobicContact CE1-CD2 3.56Å; F174-F178 AromaticContact CE1-CE2 3.52Å; F174-F178 HydrophobicContact CE1-CE2 3.52Å; F174-F178 HydrophobicContact CE1-CG 4.33Å; F174-F178 HydrophobicContact CE1-CZ 4.25Å; F174-F178 HydrophobicContact CE2-CD2 4.05Å; F174-F178 AromaticContact CE2-CE2 3.35Å; F174-F178 HydrophobicContact CE2-CE2 3.35Å; F174-F178 HydrophobicContact CE2-CZ 4.15Å; F174-F178 HydrophobicContact CG-CD2 4.24Å; F174-F178 HydrophobicContact CG-CE2 4.35Å; F174-F178 AromaticContact CZ-CD2 3.67Å; F174-F178 HydrophobicContact CZ-CD2 3.67Å; F174-F178 AromaticContact CZ-CE2 3.09Å; F174-F178 HydrophobicContact CZ-CE2 3.09Å; F174-F178 AromaticContact CZ-CZ 3.67Å; F174-F178 HydrophobicContact CZ-CZ 3.67Å; F174-F178 WeakPolarHBondContact O-CD2 3.17Å; F174-F178 PolarHBondContact O-N 3.11Å; V175-F178 PolarHBondContact O-N 3.47Å; E176-F178 VanDerWaalsContact C-N 3.32Å; E176-F178 PolarHBondContact O-N 3.39Å; F178-S180 VanDerWaalsContact C-N 3.28Å
179	A	51.4	Low	56.2	Low	86 Å²	86	97.1 Å²	97.1	71%	0.711	55%	0.547	S	S	*	.			trans	-83	-7.2	170.2	0	0	0	0	0	112.9	V175 E176	V175-A179 VanDerWaalsContact O-CB 3.31Å; V175-A179 WeakPolarHBondContact O-CB 3.43Å; V175-A179 PolarHBondContact O-N 3.46Å; V175-A179 VanDerWaalsContact O-N 3.07Å; E176-A179 PolarHBondContact O-N 3.26Å
180	S	44.6	Very low	55.6	Low	154 Å²	154	96.6 Å²	96.6	100%	1.077	55%	0.548	S	S	*	.			trans	-101.9	0	176.3	-48.1	0	0	0	0	111	E176 F178	E176-S180 PolarHBondContact O-N 3.2Å; E176-S180 PolarHBondContact O-OG 3.4Å; F178-S180 VanDerWaalsContact C-N 3.28Å

Retrieved 180 of 180 residues in 91.3 ms (Link to these results)

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