A0A077ZLM3_TRITR Loading...

HdeA domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLM3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 110 aa.

						>A0A077ZLM3_TRITR|A0A077ZLM3
MKKVLGVILGGLLLLPVVSNAADAQKAADNKKPVNSWTCEDFLAVDESFQPTAVGFAEALNNKDKPEDAVLDVQGIATVTPAIVQACTQDKQANFKDKVKGEWDKIKKDM
					

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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)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.2	Very low	43.7	Very low	241 Å²	241	144.5 Å²	144.5	100%	1.187	83%	0.831	S	S	*	*				0	108.6	0	-54.6	-170.5	-158.5	0	108.4
2	K	35.2	Very low	44.5	Very low	212 Å²	212	145.7 Å²	145.7	92%	0.922	83%	0.831	S	S	*	*			trans	-162.4	90.6	170.5	-104.2	161	-178.4	-177.5	106.4
3	K	38.3	Very low	44.8	Very low	198 Å²	198	146.8 Å²	146.8	86%	0.861	83%	0.832	S	S	*	*			trans	-95.5	119.8	172	-69.8	-179	174.5	179.7	106.4
4	V	44.8	Very low	45.2	Very low	141 Å²	141	147.4 Å²	147.4	86%	0.855	83%	0.831	S	S	*	*			trans	-136.8	92.3	162.5	-170.2	0	0	0	105.9	G6	V4-G6 PolarHBondContact O-N 3.4Å
5	L	46.3	Very low	45.9	Very low	151 Å²	151	147.5 Å²	147.5	79%	0.791	83%	0.827	S	S	*	*			trans	-74.2	105.9	169.8	-86.3	93	0	0	107.6	V7	L5-V7 PolarHBondContact O-N 3.34Å
6	G	42.5	Very low	46.5	Very low	71 Å²	71	145.2 Å²	145.2	73%	0.732	82%	0.82	S	S	*	*			trans	-84.9	95.2	168.5	0	0	0	0	110	V4	V4-G6 PolarHBondContact O-N 3.4Å
7	V	46.4	Very low	47.6	Very low	115 Å²	115	144.3 Å²	144.3	70%	0.697	82%	0.818	S	S	*	*			trans	-95.6	93.2	166.7	178.2	0	0	0	106.6	L5 L9	L5-V7 PolarHBondContact O-N 3.34Å; V7-L9 PolarHBondContact O-N 3.1Å
8	I	51.6	Low	48.5	Very low	161 Å²	161	143.7 Å²	143.7	83%	0.826	82%	0.818	S	S	*	*			trans	-94.6	95.8	171.1	-58.9	179.4	0	0	106.7	G10	I8-G10 VanDerWaalsContact C-N 3.34Å; I8-G10 PolarHBondContact O-N 3.48Å
9	L	47.4	Very low	49	Very low	161 Å²	161	141.1 Å²	141.1	84%	0.843	81%	0.809	S	S	*	*			trans	-67.2	89.9	173.5	-156.7	74.1	0	0	107.9	V7 G11	V7-L9 PolarHBondContact O-N 3.1Å; L9-G11 PolarHBondContact O-N 3Å; L9-G11 VanDerWaalsContact O-N 3.1Å
10	G	45.8	Very low	49.5	Very low	72 Å²	72	139.8 Å²	139.8	74%	0.742	80%	0.799	S	S	*	*			trans	-65.3	106.2	179.4	0	0	0	0	110.8	I8 L12	I8-G10 VanDerWaalsContact C-N 3.34Å; I8-G10 PolarHBondContact O-N 3.48Å; G10-L12 PolarHBondContact O-N 3.37Å
11	G	44.9	Very low	49.8	Very low	67 Å²	67	136.1 Å²	136.1	69%	0.691	79%	0.787	S	S	*	*			trans	-61	123.6	177.2	0	0	0	0	111.7	L9 L13	L9-G11 PolarHBondContact O-N 3Å; L9-G11 VanDerWaalsContact O-N 3.1Å; G11-L13 PolarHBondContact O-N 3.07Å
12	L	53.4	Low	50.5	Low	158 Å²	158	128.6 Å²	128.6	83%	0.827	76%	0.763	S	S	*	*			trans	-70.7	91.4	173.9	-165.8	72.9	0	0	108.7	G10 L14	G10-L12 PolarHBondContact O-N 3.37Å; L12-L14 PolarHBondContact O-N 3.02Å
13	L	48.7	Very low	51.4	Low	161 Å²	161	123.5 Å²	123.5	84%	0.843	75%	0.745	S	S	*	*			trans	-68.5	97.2	173.7	-86.4	157.7	0	0	109.5	G11 L15	G11-L13 PolarHBondContact O-N 3.07Å; L13-L15 PolarHBondContact O-N 3.14Å; L13-L15 VanDerWaalsContact O-N 3.11Å
14	L	50.5	Low	52.1	Low	155 Å²	155	117.8 Å²	117.8	81%	0.812	74%	0.735	S	S	*	*			trans	-72.7	94.9	168.3	-69.8	168.2	0	0	108.5	L12 P16	L12-L14 PolarHBondContact O-N 3.02Å; L14-P16 WeakPolarHBondContact O-CD 3.43Å
15	L	55.6	Low	52.4	Low	149 Å²	149	119.6 Å²	119.6	78%	0.78	73%	0.734	S	S	*	*			trans	-73.2	121.5	169.9	-74.4	165	0	0	108.7	L13 V17	L13-L15 PolarHBondContact O-N 3.14Å; L13-L15 VanDerWaalsContact O-N 3.11Å; L15-V17 PolarHBondContact O-N 3.11Å; L15-V17 VanDerWaalsContact O-N 3.14Å
16	P	54.8	Low	52.8	Low	110 Å²	110	119.3 Å²	119.3	71%	0.714	73%	0.727	S	S	*	*			trans	-65.3	115.9	174.4	24.5	-29.9	0	0	108.9	L14 V18	L14-P16 WeakPolarHBondContact O-CD 3.43Å; P16-V18 VanDerWaalsContact C-N 3.29Å; P16-V18 PolarHBondContact O-N 2.93Å
17	V	66.2	Low	53.2	Low	130 Å²	130	119.5 Å²	119.5	79%	0.788	72%	0.721	S	S	*	*			trans	-66.6	95	165.9	-179.5	0	0	0	106.2	L15 S19	L15-V17 PolarHBondContact O-N 3.11Å; L15-V17 VanDerWaalsContact O-N 3.14Å; V17-S19 PolarHBondContact O-N 2.92Å
18	V	63.1	Low	53.6	Low	133 Å²	133	116 Å²	116	81%	0.806	71%	0.705	S	S	*	*			trans	-67.9	90.2	167.3	-85.5	0	0	0	107.4	P16 N20	P16-V18 VanDerWaalsContact C-N 3.29Å; P16-V18 PolarHBondContact O-N 2.93Å; V18-N20 PolarHBondContact O-N 3.15Å; V18-N20 VanDerWaalsContact O-N 3.15Å
19	S	58.3	Low	53.9	Low	95 Å²	95	115.4 Å²	115.4	66%	0.664	70%	0.703	S	S	*	*			trans	-63.4	112.5	167.1	-58.5	0	0	0	107.9	V17 A21	V17-S19 PolarHBondContact O-N 2.92Å; S19-A21 PolarHBondContact O-N 2.79Å
20	N	58.4	Low	54.5	Low	114 Å²	114	110.4 Å²	110.4	61%	0.61	68%	0.677	S	S	*	*			trans	-58.4	79.6	166	45.7	-37.4	0	0	110.1	V18 A22 D23	V18-N20 PolarHBondContact O-N 3.15Å; V18-N20 VanDerWaalsContact O-N 3.15Å; N20-A22 PolarHBondContact O-N 3.44Å; N20-D23 PolarHBondContact ND2-OD2 3.05Å; N20-D23 PolarHBondContact O-N 3.17Å
21	A	55.6	Low	56.1	Low	64 Å²	64	115.9 Å²	115.9	53%	0.529	68%	0.681	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.2	-12.9	174.1	0	0	0	0	113.4	S19 D23 A24	S19-A21 PolarHBondContact O-N 2.79Å; A21-D23 PolarHBondContact O-N 3.24Å; A21-A24 PolarHBondContact O-N 2.74Å
22	A	52.8	Low	58.4	Low	83 Å²	83	116.3 Å²	116.3	69%	0.686	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-28.4	177.7	0	0	0	0	113.2	N20	N20-A22 PolarHBondContact O-N 3.44Å
23	D	54.6	Low	60.3	Low	104 Å²	104	112.7 Å²	112.7	56%	0.556	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-27	179	-63.8	-52.6	0	0	112.6	N20 A21 Q25 K26	N20-D23 PolarHBondContact ND2-OD2 3.05Å; N20-D23 PolarHBondContact O-N 3.17Å; A21-D23 PolarHBondContact O-N 3.24Å; D23-Q25 PolarHBondContact O-N 3.38Å; D23-K26 PolarHBondContact O-N 3.38Å
24	A	53.2	Low	62.5	Low	78 Å²	78	106.5 Å²	106.5	65%	0.645	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-71.5	-28	-177.7	0	0	0	0	113.3	A21 K26	A21-A24 PolarHBondContact O-N 2.74Å; A24-K26 VanDerWaalsContact C-N 3.31Å
25	Q	50.1	Low	64.6	Low	180 Å²	180	103 Å²	103	84%	0.841	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-84.2	-5	179.5	-88.3	174	-114.5	0	114	D23 A27	D23-Q25 PolarHBondContact O-N 3.38Å; Q25-A27 PolarHBondContact O-N 3.34Å
26	K	54	Low	66.5	Low	145 Å²	145	98.7 Å²	98.7	63%	0.63	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-85.2	14.5	174.9	-121.9	-178.4	-175.6	-172.2	112.7	D23 A24 A28	D23-K26 PolarHBondContact O-N 3.38Å; A24-K26 VanDerWaalsContact C-N 3.31Å; K26-A28 PolarHBondContact O-N 2.99Å
27	A	52.7	Low	68.5	Low	75 Å²	75	94.7 Å²	94.7	62%	0.62	55%	0.553	S	S	*	*			trans	-58.2	81.7	171.2	0	0	0	0	110	Q25 D29	Q25-A27 PolarHBondContact O-N 3.34Å; A27-D29 PolarHBondContact O-N 2.66Å
28	A	54	Low	70	Confident	42 Å²	42	90.3 Å²	90.3	35%	0.347	53%	0.527	S	S	.	.			trans	36.8	57.1	144.3	0	0	0	0	116.6	K26 N30	K26-A28 PolarHBondContact O-N 2.99Å; A28-N30 HydrophobicContact CB-CB 4.04Å; A28-N30 PolarHBondContact O-N 3.25Å
29	D	57	Low	71.7	Confident	148 Å²	148	84 Å²	84	79%	0.791	49%	0.488	S	S	*	.			trans	-64.7	44.7	137.6	-98.2	-36.2	0	0	109.7	A27 K31	A27-D29 PolarHBondContact O-N 2.66Å; D29-K31 PolarHBondContact O-N 3.47Å
30	N	61.1	Low	73.5	Confident	55 Å²	55	84 Å²	84	29%	0.294	48%	0.478	S	S	.	.			trans	-76.5	80.6	179.3	-92.1	-39.4	0	0	107	A28 K32	A28-N30 HydrophobicContact CB-CB 4.04Å; A28-N30 PolarHBondContact O-N 3.25Å; N30-K32 PolarHBondContact O-N 3.08Å
31	K	80	Confident	75.4	Confident	188 Å²	188	79.7 Å²	79.7	82%	0.817	46%	0.455	S	S	*	.			trans	-64.9	-6.1	164.3	-60.6	-63.5	-177.5	-172.8	112.3	D29	D29-K31 PolarHBondContact O-N 3.47Å
32	K	92.2	Very high	77.4	Confident	76 Å²	76	76.7 Å²	76.7	33%	0.33	43%	0.43	S	S	.	.	S	Bend	trans	-65.5	130.5	179.3	-166.7	178.4	-175.7	-162.9	109.6	N30 S36 W37 D41	N30-K32 PolarHBondContact O-N 3.08Å; K32-S36 VanDerWaalsContact CE-C 3.47Å; K32-S36 WeakPolarHBondContact CE-O 3.25Å; K32-S36 PolarHBondContact NZ-O 2.77Å; K32-W37 PolarHBondContact O-NE1 3.07Å; K32-D41 IonicContact NZ-OD2 2.67Å; K32-D41 PolarHBondContact NZ-OD2 3.21Å
33	P	94.2	Very high	79.5	Confident	81 Å²	81	75 Å²	75	53%	0.526	41%	0.409	S	S	.	.			trans	-63.6	142.9	175.2	26.8	-33.8	0	0	110.4	N35 S36	P33-N35 PolarHBondContact O-N 2.85Å; P33-N35 VanDerWaalsContact O-N 3.09Å; P33-S36 WeakPolarHBondContact O-CB 3.49Å; P33-S36 PolarHBondContact O-N 2.86Å
34	V	94.2	Very high	81.5	Confident	32 Å²	32	72 Å²	72	19%	0.194	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-52.9	-35.3	-178.4	177	0	0	0	112.2	S36 W37 A57 L60 F95	V34-S36 PolarHBondContact O-N 2.54Å; V34-W37 HydrophobicContact CB-CD2 4.44Å; V34-W37 HydrophobicContact CG1-CD2 4.46Å; V34-W37 HydrophobicContact CG1-CE3 4.4Å; V34-W37 HydrophobicContact CG2-CD2 4.32Å; V34-W37 HydrophobicContact CG2-CH2 4.18Å; V34-W37 HydrophobicContact CG2-CZ2 3.95Å; V34-W37 HydrophobicContact CG2-CZ3 4.46Å; V34-W37 WeakPolarHBondContact O-CB 3.4Å; V34-W37 PolarHBondContact O-N 2.91Å; V34-A57 HydrophobicContact CG1-CB 4.44Å; V34-L60 HydrophobicContact CB-CD1 4Å; V34-L60 HydrophobicContact CG1-CD1 3.98Å; V34-F95 HydrophobicContact CG1-CD1 4.23Å; V34-F95 HydrophobicContact CG1-CE1 4.11Å
35	N	93.6	Very high	83.5	Confident	80 Å²	80	69.3 Å²	69.3	43%	0.428	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-62.4	-14.5	177.5	-170.2	60.4	0	0	114.1	P33 L60 K96	P33-N35 PolarHBondContact O-N 2.85Å; P33-N35 VanDerWaalsContact O-N 3.09Å; N35-L60 HydrophobicContact CB-CD1 4.36Å; N35-K96 WeakPolarHBondContact OD1-CD 3.43Å; N35-K96 WeakPolarHBondContact OD1-CE 3.44Å; N35-K96 PolarHBondContact OD1-NZ 3.33Å
36	S	95.4	Very high	85.6	Confident	59 Å²	59	65.5 Å²	65.5	41%	0.413	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-105.2	-4	176.9	-59.8	0	0	0	113	K32 P33 V34	K32-S36 VanDerWaalsContact CE-C 3.47Å; K32-S36 WeakPolarHBondContact CE-O 3.25Å; K32-S36 PolarHBondContact NZ-O 2.77Å; P33-S36 WeakPolarHBondContact O-CB 3.49Å; P33-S36 PolarHBondContact O-N 2.86Å; V34-S36 PolarHBondContact O-N 2.54Å
37	W	97.4	Very high	87.6	Confident	27 Å²	27	66.2 Å²	66.2	10%	0.102	37%	0.365	C	S	.	.			trans	-64	142	-174.4	-75.2	12	0	0	113.3	K32 V34 D41 F42 V45 A53 F95	K32-W37 PolarHBondContact O-NE1 3.07Å; V34-W37 HydrophobicContact CB-CD2 4.44Å; V34-W37 HydrophobicContact CG1-CD2 4.46Å; V34-W37 HydrophobicContact CG1-CE3 4.4Å; V34-W37 HydrophobicContact CG2-CD2 4.32Å; V34-W37 HydrophobicContact CG2-CH2 4.18Å; V34-W37 HydrophobicContact CG2-CZ2 3.95Å; V34-W37 HydrophobicContact CG2-CZ3 4.46Å; V34-W37 WeakPolarHBondContact O-CB 3.4Å; V34-W37 PolarHBondContact O-N 2.91Å; W37-D41 VanDerWaalsContact CA-OD2 3.3Å; W37-D41 WeakPolarHBondContact CA-OD2 3.24Å; W37-D41 HydrophobicContact CB-CB 3.89Å; W37-D41 HydrophobicContact CD2-CB 4.09Å; W37-D41 HydrophobicContact CG-CB 3.8Å; W37-F42 HydrophobicContact CE3-CB 4.44Å; W37-V45 HydrophobicContact CH2-CG2 3.69Å; W37-V45 HydrophobicContact CZ3-CG2 3.64Å; W37-A53 HydrophobicContact CZ3-CB 3.99Å; W37-F95 HydrophobicContact CB-CB 4Å; W37-F95 HydrophobicContact CB-CD1 4.21Å; W37-F95 HydrophobicContact CB-CG 4.5Å; W37-F95 HydrophobicContact CE3-CD1 4.01Å; W37-F95 HydrophobicContact CE3-CE1 4.15Å; W37-F95 PolarHBondContact O-N 3.42Å
38	T	98	Very high	89.7	Confident	37 Å²	37	66.7 Å²	66.7	23%	0.227	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-88.6	170.1	160.6	62.3	0	0	0	110.2	E40 D41 F42 A93	T38-E40 PolarHBondContact O-N 3.26Å; T38-E40 PolarHBondContact OG1-N 2.77Å; T38-D41 PolarHBondContact N-OD2 3.24Å; T38-D41 WeakPolarHBondContact O-CB 3.44Å; T38-D41 PolarHBondContact O-N 3.48Å; T38-D41 VanDerWaalsContact O-N 3.15Å; T38-D41 PolarHBondContact OG1-N 2.93Å; T38-D41 PolarHBondContact OG1-OD2 3.34Å; T38-F42 PolarHBondContact O-N 3.49Å; T38-A93 CarbonylContact C-O 3.58Å; T38-A93 VanDerWaalsContact CA-O 3.23Å; T38-A93 WeakPolarHBondContact CA-O 3.45Å
39	C	98	Very high	91.7	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-58.9	-32.1	169.8	-90.3	0	0	0	112.9	F42 L43 C87 D90 K91 A93	C39-F42 PolarHBondContact O-N 3.22Å; C39-L43 VanDerWaalsContact O-CG 3.26Å; C39-L43 WeakPolarHBondContact O-CG 3.26Å; C39-L43 PolarHBondContact O-N 3.26Å; C39-C87 VanDerWaalsContact CA-SG 3.52Å; C39-C87 HydrophobicContact CB-CB 3.33Å; C39-C87 WeakPolarHBondContact CB-SG 3.22Å; C39-C87 WeakPolarHBondContact SG-CA 3.41Å; C39-C87 WeakPolarHBondContact SG-CB 3.45Å; C39-C87 CovalentContact SG-SG 2.05Å; C39-C87 PolarHBondContact SG-SG 3.04Å; C39-D90 WeakPolarHBondContact CB-O 3.48Å; C39-K91 CarbonylContact C-O 3.26Å; C39-K91 PolarHBondContact N-O 3.26Å; C39-A93 PolarHBondContact N-O 3.36Å
40	E	97.3	Very high	93.7	Very high	96 Å²	96	64.3 Å²	64.3	45%	0.449	34%	0.339	S	S	.	.	H	α-helix	trans	-62.2	-43.8	172.1	-168.1	178	171.1	0	112	T38 F42 L43 A44 K91	T38-E40 PolarHBondContact O-N 3.26Å; T38-E40 PolarHBondContact OG1-N 2.77Å; E40-F42 VanDerWaalsContact C-N 3.28Å; E40-F42 PolarHBondContact O-N 2.99Å; E40-L43 PolarHBondContact O-N 2.94Å; E40-A44 PolarHBondContact O-N 3.37Å; E40-A44 VanDerWaalsContact O-N 3.08Å; E40-K91 HydrophobicContact CB-CB 4.22Å; E40-K91 PolarHBondContact N-O 3.48Å
41	D	97	Very high	95.4	Very high	24 Å²	24	64 Å²	64	13%	0.128	34%	0.34	C	S	.	.	H	α-helix	trans	-60.2	-40.8	177.5	-63.2	-42.5	0	0	111	K32 W37 T38 A44	K32-D41 IonicContact NZ-OD2 2.67Å; K32-D41 PolarHBondContact NZ-OD2 3.21Å; W37-D41 VanDerWaalsContact CA-OD2 3.3Å; W37-D41 WeakPolarHBondContact CA-OD2 3.24Å; W37-D41 HydrophobicContact CB-CB 3.89Å; W37-D41 HydrophobicContact CD2-CB 4.09Å; W37-D41 HydrophobicContact CG-CB 3.8Å; T38-D41 PolarHBondContact N-OD2 3.24Å; T38-D41 WeakPolarHBondContact O-CB 3.44Å; T38-D41 PolarHBondContact O-N 3.48Å; T38-D41 VanDerWaalsContact O-N 3.15Å; T38-D41 PolarHBondContact OG1-N 2.93Å; T38-D41 PolarHBondContact OG1-OD2 3.34Å; D41-A44 PolarHBondContact O-N 3.27Å
42	F	97.5	Very high	96.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-66.5	-44.5	175.8	166.7	-108.9	0	0	112.7	W37 T38 C39 E40 A44 V45 Q50 A53 V54 I83 V84 C87 F95	W37-F42 HydrophobicContact CE3-CB 4.44Å; T38-F42 PolarHBondContact O-N 3.49Å; C39-F42 PolarHBondContact O-N 3.22Å; E40-F42 VanDerWaalsContact C-N 3.28Å; E40-F42 PolarHBondContact O-N 2.99Å; F42-A44 PolarHBondContact O-N 3.46Å; F42-V45 VanDerWaalsContact O-CB 3.24Å; F42-V45 WeakPolarHBondContact O-CB 3.45Å; F42-V45 WeakPolarHBondContact O-CG2 3.44Å; F42-V45 PolarHBondContact O-N 3.14Å; F42-Q50 HydrophobicContact CD2-CG 4.48Å; F42-Q50 HydrophobicContact CE2-CB 3.69Å; F42-Q50 HydrophobicContact CE2-CG 3.74Å; F42-Q50 HydrophobicContact CZ-CB 3.83Å; F42-Q50 HydrophobicContact CZ-CG 3.88Å; F42-A53 HydrophobicContact CD2-CB 4.05Å; F42-A53 HydrophobicContact CE2-CB 4.17Å; F42-V54 HydrophobicContact CE2-CG2 4.03Å; F42-V54 HydrophobicContact CZ-CG2 4.19Å; F42-I83 HydrophobicContact CD1-CG2 4.31Å; F42-I83 HydrophobicContact CE1-CG2 3.79Å; F42-I83 HydrophobicContact CZ-CG2 4.13Å; F42-V84 HydrophobicContact CE1-CG2 3.76Å; F42-V84 HydrophobicContact CZ-CG2 3.87Å; F42-C87 HydrophobicContact CD1-CB 4.17Å; F42-F95 HydrophobicContact CB-CD1 4.48Å; F42-F95 HydrophobicContact CB-CD2 3.54Å; F42-F95 HydrophobicContact CB-CE2 3.75Å; F42-F95 HydrophobicContact CB-CG 3.94Å; F42-F95 HydrophobicContact CB-CZ 4.31Å; F42-F95 HydrophobicContact CD1-CD2 4.07Å; F42-F95 AromaticContact CD1-CE2 3.84Å; F42-F95 HydrophobicContact CD1-CE2 3.84Å; F42-F95 HydrophobicContact CD2-CD2 4.03Å; F42-F95 HydrophobicContact CD2-CE1 4.31Å; F42-F95 AromaticContact CD2-CE2 3.28Å; F42-F95 HydrophobicContact CD2-CE2 3.28Å; F42-F95 AromaticContact CD2-CZ 3.46Å; F42-F95 HydrophobicContact CD2-CZ 3.46Å; F42-F95 VanDerWaalsContact CD2-CZ 3.46Å; F42-F95 HydrophobicContact CE1-CE2 4.26Å; F42-F95 AromaticContact CE2-CE2 3.76Å; F42-F95 HydrophobicContact CE2-CE2 3.76Å; F42-F95 AromaticContact CE2-CZ 3.93Å; F42-F95 HydrophobicContact CE2-CZ 3.93Å; F42-F95 AromaticContact CG-CD2 3.6Å; F42-F95 HydrophobicContact CG-CD2 3.6Å; F42-F95 AromaticContact CG-CE2 3.32Å; F42-F95 HydrophobicContact CG-CE2 3.32Å; F42-F95 HydrophobicContact CG-CG 4.43Å; F42-F95 AromaticContact CG-CZ 3.95Å; F42-F95 HydrophobicContact CG-CZ 3.95Å; F42-F95 HydrophobicContact CZ-CE2 4.23Å
43	L	97.6	Very high	96.4	Very high	48 Å²	48	55.2 Å²	55.2	25%	0.251	31%	0.309	S	S	.	.	H	α-helix	trans	-67.1	-19.2	179.4	-70.2	174	0	0	113.1	C39 E40 V45 V84 C87 K91	C39-L43 VanDerWaalsContact O-CG 3.26Å; C39-L43 WeakPolarHBondContact O-CG 3.26Å; C39-L43 PolarHBondContact O-N 3.26Å; E40-L43 PolarHBondContact O-N 2.94Å; L43-V45 VanDerWaalsContact C-N 3.3Å; L43-V84 HydrophobicContact CD2-CG1 4.15Å; L43-C87 HydrophobicContact CD1-CB 4.15Å; L43-C87 HydrophobicContact CD2-CB 4.23Å; L43-C87 HydrophobicContact CG-CB 4.06Å; L43-K91 HydrophobicContact CD1-CG 4.26Å
44	A	96.3	Very high	96.6	Very high	41 Å²	41	51.3 Å²	51.3	34%	0.339	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-9.8	172.4	0	0	0	0	113.4	E40 D41 F42	E40-A44 PolarHBondContact O-N 3.37Å; E40-A44 VanDerWaalsContact O-N 3.08Å; D41-A44 PolarHBondContact O-N 3.27Å; F42-A44 PolarHBondContact O-N 3.46Å
45	V	95	Very high	96.6	Very high	22 Å²	22	50.5 Å²	50.5	13%	0.133	28%	0.282	C	S	.	.	S	Bend	trans	-72.7	137.3	172.9	-179	0	0	0	109.1	W37 F42 L43 E47 F49 Q50	W37-V45 HydrophobicContact CH2-CG2 3.69Å; W37-V45 HydrophobicContact CZ3-CG2 3.64Å; F42-V45 VanDerWaalsContact O-CB 3.24Å; F42-V45 WeakPolarHBondContact O-CB 3.45Å; F42-V45 WeakPolarHBondContact O-CG2 3.44Å; F42-V45 PolarHBondContact O-N 3.14Å; L43-V45 VanDerWaalsContact C-N 3.3Å; V45-E47 PolarHBondContact O-N 3.21Å; V45-F49 HydrophobicContact CG1-CB 3.74Å; V45-Q50 HydrophobicContact CB-CG 4.3Å; V45-Q50 HydrophobicContact CG1-CG 4.41Å; V45-Q50 PolarHBondContact O-NE2 2.83Å
46	D	95.1	Very high	96.7	Very high	100 Å²	100	52.7 Å²	52.7	54%	0.535	29%	0.288	S	S	.	.			trans	-49.5	133.3	171.5	-179.3	-85.8	0	0	110.7	S48 F49 Q50	D46-S48 PolarHBondContact O-N 3.15Å; D46-S48 VanDerWaalsContact OD1-CB 3.25Å; D46-S48 WeakPolarHBondContact OD1-CB 3.23Å; D46-S48 PolarHBondContact OD1-N 3.38Å; D46-S48 PolarHBondContact OD1-OG 2.85Å; D46-F49 HydrophobicContact CB-CD2 4.14Å; D46-F49 WeakPolarHBondContact O-CA 3.21Å; D46-F49 PolarHBondContact O-N 3.41Å; D46-Q50 PolarHBondContact O-N 3.48Å
47	E	96.2	Very high	96.8	Very high	160 Å²	160	49.9 Å²	49.9	75%	0.748	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-55.1	-33.4	-172.7	-64.5	-177.9	170.9	0	112.5	V45 F49 Q50	V45-E47 PolarHBondContact O-N 3.21Å; E47-F49 PolarHBondContact O-N 3.42Å; E47-Q50 PolarHBondContact O-N 3.35Å
48	S	96.6	Very high	96.6	Very high	84 Å²	84	50.3 Å²	50.3	59%	0.587	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-69.5	-21.3	178.7	73.7	0	0	0	113.6	D46	D46-S48 PolarHBondContact O-N 3.15Å; D46-S48 VanDerWaalsContact OD1-CB 3.25Å; D46-S48 WeakPolarHBondContact OD1-CB 3.23Å; D46-S48 PolarHBondContact OD1-N 3.38Å; D46-S48 PolarHBondContact OD1-OG 2.85Å
49	F	96.5	Very high	96.3	Very high	124 Å²	124	51.2 Å²	51.2	54%	0.544	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-101.1	-6	178	-73.5	-85.2	0	0	113.7	V45 D46 E47 T52 A53	V45-F49 HydrophobicContact CG1-CB 3.74Å; D46-F49 HydrophobicContact CB-CD2 4.14Å; D46-F49 WeakPolarHBondContact O-CA 3.21Å; D46-F49 PolarHBondContact O-N 3.41Å; E47-F49 PolarHBondContact O-N 3.42Å; F49-T52 WeakPolarHBondContact O-CA 3.3Å; F49-T52 VanDerWaalsContact O-CB 3.28Å; F49-T52 WeakPolarHBondContact O-CB 2.86Å; F49-T52 PolarHBondContact O-N 3.31Å; F49-A53 PolarHBondContact O-N 3.27Å
50	Q	97.9	Very high	96.1	Very high	16 Å²	16	54 Å²	54	8%	0.075	30%	0.297	C	S	.	.	H	α-helix	trans	-57.9	-41.9	176.2	-73	177	3.9	0	113.4	F42 V45 D46 E47 T52 A53 V54 T80	F42-Q50 HydrophobicContact CD2-CG 4.48Å; F42-Q50 HydrophobicContact CE2-CB 3.69Å; F42-Q50 HydrophobicContact CE2-CG 3.74Å; F42-Q50 HydrophobicContact CZ-CB 3.83Å; F42-Q50 HydrophobicContact CZ-CG 3.88Å; V45-Q50 HydrophobicContact CB-CG 4.3Å; V45-Q50 HydrophobicContact CG1-CG 4.41Å; V45-Q50 PolarHBondContact O-NE2 2.83Å; D46-Q50 PolarHBondContact O-N 3.48Å; E47-Q50 PolarHBondContact O-N 3.35Å; Q50-T52 PolarHBondContact O-N 3.28Å; Q50-A53 WeakPolarHBondContact O-CB 3.27Å; Q50-A53 PolarHBondContact O-N 3.2Å; Q50-A53 VanDerWaalsContact O-N 3.12Å; Q50-V54 WeakPolarHBondContact O-CG2 3.49Å; Q50-V54 PolarHBondContact O-N 3.36Å; Q50-T80 HydrophobicContact CB-CG2 4.12Å
51	P	98	Very high	95.9	Very high	49 Å²	49	51.6 Å²	51.6	32%	0.318	29%	0.287	S	S	.	.	H	α-helix	trans	-58.3	-36.7	173.1	-25	34.9	0	0	112.8	V54 G55 I76 T80	P51-V54 PolarHBondContact O-N 2.83Å; P51-G55 PolarHBondContact O-N 2.74Å; P51-I76 HydrophobicContact CB-CG2 3.86Å; P51-I76 WeakPolarHBondContact O-CG2 3.42Å; P51-T80 HydrophobicContact CG-CG2 4.2Å
52	T	96.7	Very high	95.6	Very high	71 Å²	71	52.7 Å²	52.7	44%	0.436	29%	0.293	S	S	.	.	H	α-helix	trans	-64.6	-46.6	174.7	-54.2	0	0	0	111	F49 Q50 V54 G55 F56	F49-T52 WeakPolarHBondContact O-CA 3.3Å; F49-T52 VanDerWaalsContact O-CB 3.28Å; F49-T52 WeakPolarHBondContact O-CB 2.86Å; F49-T52 PolarHBondContact O-N 3.31Å; Q50-T52 PolarHBondContact O-N 3.28Å; T52-V54 VanDerWaalsContact C-N 3.3Å; T52-V54 PolarHBondContact O-N 3.18Å; T52-G55 PolarHBondContact O-N 3.01Å; T52-F56 HydrophobicContact CG2-CD2 3.85Å; T52-F56 HydrophobicContact CG2-CE2 3.84Å; T52-F56 WeakPolarHBondContact O-CD2 3.38Å; T52-F56 PolarHBondContact O-N 2.93Å
53	A	96.9	Very high	95.1	Very high	8 Å²	8	59.7 Å²	59.7	7%	0.066	32%	0.324	C	S	.	.	H	α-helix	trans	-59.5	-40.7	176.7	0	0	0	0	112.3	W37 F42 F49 Q50 F56 A57 F95	W37-A53 HydrophobicContact CZ3-CB 3.99Å; F42-A53 HydrophobicContact CD2-CB 4.05Å; F42-A53 HydrophobicContact CE2-CB 4.17Å; F49-A53 PolarHBondContact O-N 3.27Å; Q50-A53 WeakPolarHBondContact O-CB 3.27Å; Q50-A53 PolarHBondContact O-N 3.2Å; Q50-A53 VanDerWaalsContact O-N 3.12Å; A53-F56 PolarHBondContact O-N 3.44Å; A53-A57 PolarHBondContact O-N 3.35Å; A53-F95 HydrophobicContact CB-CZ 4.31Å
54	V	97.7	Very high	94.8	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62	-47.5	174.4	171.6	0	0	0	111	F42 Q50 P51 T52 F56 A57 E58 I76 V79 T80 I83 F95 V99 W103	F42-V54 HydrophobicContact CE2-CG2 4.03Å; F42-V54 HydrophobicContact CZ-CG2 4.19Å; Q50-V54 WeakPolarHBondContact O-CG2 3.49Å; Q50-V54 PolarHBondContact O-N 3.36Å; P51-V54 PolarHBondContact O-N 2.83Å; T52-V54 VanDerWaalsContact C-N 3.3Å; T52-V54 PolarHBondContact O-N 3.18Å; V54-F56 VanDerWaalsContact C-N 3.33Å; V54-F56 PolarHBondContact O-N 3.4Å; V54-A57 PolarHBondContact O-N 2.75Å; V54-A57 VanDerWaalsContact O-N 3.16Å; V54-E58 WeakPolarHBondContact O-CB 3.36Å; V54-E58 PolarHBondContact O-N 2.86Å; V54-I76 HydrophobicContact CB-CG2 4.45Å; V54-I76 HydrophobicContact CG1-CG2 4.32Å; V54-V79 HydrophobicContact CG1-CG1 3.79Å; V54-T80 HydrophobicContact CG2-CG2 4.31Å; V54-I83 HydrophobicContact CB-CD1 4.45Å; V54-I83 HydrophobicContact CG1-CD1 3.75Å; V54-I83 HydrophobicContact CG2-CD1 3.8Å; V54-F95 HydrophobicContact CG2-CZ 4.34Å; V54-V99 HydrophobicContact CG1-CG1 4.19Å; V54-W103 HydrophobicContact CG1-CZ3 4.26Å
55	G	95.2	Very high	94.4	Very high	14 Å²	14	66.7 Å²	66.7	14%	0.144	35%	0.351	C	S	.	.	H	α-helix	trans	-59.5	-40.4	176.6	0	0	0	0	113.2	P51 T52 E58 A59	P51-G55 PolarHBondContact O-N 2.74Å; T52-G55 PolarHBondContact O-N 3.01Å; G55-E58 PolarHBondContact O-N 3.42Å; G55-A59 PolarHBondContact O-N 3.14Å
56	F	95.1	Very high	93.8	Very high	127 Å²	127	70.4 Å²	70.4	56%	0.557	38%	0.375	S	S	*	.	H	α-helix	trans	-64	-42.1	173.7	-91.8	-84.4	0	0	112.5	T52 A53 V54 A59 L60	T52-F56 HydrophobicContact CG2-CD2 3.85Å; T52-F56 HydrophobicContact CG2-CE2 3.84Å; T52-F56 WeakPolarHBondContact O-CD2 3.38Å; T52-F56 PolarHBondContact O-N 2.93Å; A53-F56 PolarHBondContact O-N 3.44Å; V54-F56 VanDerWaalsContact C-N 3.33Å; V54-F56 PolarHBondContact O-N 3.4Å; F56-A59 PolarHBondContact O-N 2.8Å; F56-L60 VanDerWaalsContact O-CG 3.29Å; F56-L60 WeakPolarHBondContact O-CG 3.28Å; F56-L60 PolarHBondContact O-N 3.28Å
57	A	96.2	Very high	93.3	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-67	-37.2	176.9	0	0	0	0	112.5	V34 A53 V54 L60 N61 F95 K96 V99	V34-A57 HydrophobicContact CG1-CB 4.44Å; A53-A57 PolarHBondContact O-N 3.35Å; V54-A57 PolarHBondContact O-N 2.75Å; V54-A57 VanDerWaalsContact O-N 3.16Å; A57-L60 PolarHBondContact O-N 3.05Å; A57-N61 PolarHBondContact O-N 2.05Å; A57-N61 PolarHBondContact O-ND2 3.01Å; A57-F95 HydrophobicContact CB-CD1 4.22Å; A57-F95 HydrophobicContact CB-CE1 3.58Å; A57-F95 HydrophobicContact CB-CZ 4.05Å; A57-K96 HydrophobicContact CB-CG 4.49Å; A57-V99 HydrophobicContact CB-CB 4.09Å; A57-V99 HydrophobicContact CB-CG1 4.16Å; A57-V99 HydrophobicContact CB-CG2 3.73Å
58	E	93.5	Very high	92.6	Very high	36 Å²	36	69.3 Å²	69.3	17%	0.168	37%	0.37	C	S	.	.	H	α-helix	trans	-60.3	-49.8	173.1	-160.9	-72	156.2	0	110.4	V54 G55 L60 N61 N62 W103	V54-E58 WeakPolarHBondContact O-CB 3.36Å; V54-E58 PolarHBondContact O-N 2.86Å; G55-E58 PolarHBondContact O-N 3.42Å; E58-L60 VanDerWaalsContact C-N 3.3Å; E58-L60 PolarHBondContact O-N 2.94Å; E58-N61 WeakPolarHBondContact O-CA 3.5Å; E58-N61 WeakPolarHBondContact O-CB 3.41Å; E58-N61 PolarHBondContact O-N 3.3Å; E58-N62 PolarHBondContact O-N 2.89Å; E58-N62 VanDerWaalsContact O-N 3.1Å; E58-N62 PolarHBondContact O-ND2 3.48Å; E58-N62 PolarHBondContact OE1-ND2 3.24Å; E58-W103 HydrophobicContact CG-CD2 4.18Å; E58-W103 HydrophobicContact CG-CE3 3.96Å; E58-W103 HydrophobicContact CG-CH2 4.24Å; E58-W103 HydrophobicContact CG-CZ2 4.42Å; E58-W103 HydrophobicContact CG-CZ3 4Å
59	A	92.8	Very high	91.9	Very high	55 Å²	55	69.1 Å²	69.1	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-60.1	-39.2	176.8	0	0	0	0	112.2	G55 F56 N61 N62 K63	G55-A59 PolarHBondContact O-N 3.14Å; F56-A59 PolarHBondContact O-N 2.8Å; A59-N61 VanDerWaalsContact C-N 3.3Å; A59-N61 PolarHBondContact O-N 3.12Å; A59-N62 CarbonylContact O-C 3.6Å; A59-N62 PolarHBondContact O-N 2.99Å; A59-K63 WeakPolarHBondContact O-CA 3.47Å; A59-K63 PolarHBondContact O-N 3.29Å
60	L	93.5	Very high	91.5	Very high	58 Å²	58	68.3 Å²	68.3	30%	0.304	38%	0.378	S	S	.	.	H	α-helix	trans	-66.1	-31.3	175.2	-73.3	171.7	0	0	113.1	V34 N35 F56 A57 E58 N62 K96	V34-L60 HydrophobicContact CB-CD1 4Å; V34-L60 HydrophobicContact CG1-CD1 3.98Å; N35-L60 HydrophobicContact CB-CD1 4.36Å; F56-L60 VanDerWaalsContact O-CG 3.29Å; F56-L60 WeakPolarHBondContact O-CG 3.28Å; F56-L60 PolarHBondContact O-N 3.28Å; A57-L60 PolarHBondContact O-N 3.05Å; E58-L60 VanDerWaalsContact C-N 3.3Å; E58-L60 PolarHBondContact O-N 2.94Å; L60-N62 VanDerWaalsContact C-N 3.33Å; L60-K96 HydrophobicContact CB-CD 4.13Å
61	N	93.6	Very high	91.1	Very high	46 Å²	46	73.6 Å²	73.6	25%	0.246	41%	0.407	C	S	.	.	H	α-helix	trans	-74.1	-23.6	175.2	-79.8	-37.1	0	0	112.8	A57 E58 A59 K96	A57-N61 PolarHBondContact O-N 2.05Å; A57-N61 PolarHBondContact O-ND2 3.01Å; E58-N61 WeakPolarHBondContact O-CA 3.5Å; E58-N61 WeakPolarHBondContact O-CB 3.41Å; E58-N61 PolarHBondContact O-N 3.3Å; A59-N61 VanDerWaalsContact C-N 3.3Å; A59-N61 PolarHBondContact O-N 3.12Å; N61-K96 PolarHBondContact ND2-O 2.92Å; N61-K96 WeakPolarHBondContact OD1-CD 3.02Å; N61-K96 WeakPolarHBondContact OD1-CE 3.05Å; N61-K96 WeakPolarHBondContact OD1-CG 3.48Å
62	N	90.9	Very high	90.8	Very high	48 Å²	48	74.2 Å²	74.2	26%	0.257	41%	0.407	S	S	.	.	S	Bend	trans	-112.5	14.5	-179.6	-60.8	-77.6	0	0	113.7	E58 A59 L60 D64 K65	E58-N62 PolarHBondContact O-N 2.89Å; E58-N62 VanDerWaalsContact O-N 3.1Å; E58-N62 PolarHBondContact O-ND2 3.48Å; E58-N62 PolarHBondContact OE1-ND2 3.24Å; A59-N62 CarbonylContact O-C 3.6Å; A59-N62 PolarHBondContact O-N 2.99Å; L60-N62 VanDerWaalsContact C-N 3.33Å; N62-D64 PolarHBondContact O-N 3.5Å; N62-K65 PolarHBondContact O-N 3.08Å
63	K	87.1	Confident	90.7	Very high	147 Å²	147	75.5 Å²	75.5	64%	0.639	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-24.1	-174.1	66.7	177.1	-174.7	167.2	115.3	A59 K65	A59-K63 WeakPolarHBondContact O-CA 3.47Å; A59-K63 PolarHBondContact O-N 3.29Å; K63-K65 VanDerWaalsContact C-N 3.3Å
64	D	91.2	Very high	90.5	Very high	132 Å²	132	82.1 Å²	82.1	71%	0.706	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	5.4	-178.5	-56.5	-52.4	0	0	112.4	N62	N62-D64 PolarHBondContact O-N 3.5Å
65	K	87.5	Confident	90.3	Very high	104 Å²	104	82.4 Å²	82.4	45%	0.452	45%	0.447	S	S	.	.			trans	-134.1	69.5	-177.7	-57.2	-170.3	-175.8	-175.8	112	N62 K63 E67 D68	N62-K65 PolarHBondContact O-N 3.08Å; K63-K65 VanDerWaalsContact C-N 3.3Å; K65-E67 PolarHBondContact O-N 2.84Å; K65-D68 HydrophobicContact CB-CB 4.02Å; K65-D68 WeakPolarHBondContact CD-OD2 3.32Å; K65-D68 PolarHBondContact O-N 3.09Å
66	P	82.4	Confident	90.4	Very high	100 Å²	100	82.5 Å²	82.5	65%	0.649	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-62.4	-27.3	-175.6	26	-35.3	0	0	113.9	D68 A69	P66-D68 VanDerWaalsContact C-N 3.25Å; P66-D68 PolarHBondContact O-N 3.01Å; P66-A69 WeakPolarHBondContact O-CB 3.37Å; P66-A69 PolarHBondContact O-N 3.04Å
67	E	83.4	Confident	90.4	Very high	148 Å²	148	79.5 Å²	79.5	69%	0.692	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-67.3	-25.5	174.4	65.8	-83.3	-162.5	0	113.3	K65 A69	K65-E67 PolarHBondContact O-N 2.84Å; E67-A69 VanDerWaalsContact C-N 3.31Å
68	D	82.4	Confident	90.4	Very high	88 Å²	88	83 Å²	83	47%	0.471	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-89	0.9	175.5	-68.3	-21.7	0	0	111.8	K65 P66 V70	K65-D68 HydrophobicContact CB-CB 4.02Å; K65-D68 WeakPolarHBondContact CD-OD2 3.32Å; K65-D68 PolarHBondContact O-N 3.09Å; P66-D68 VanDerWaalsContact C-N 3.25Å; P66-D68 PolarHBondContact O-N 3.01Å; D68-V70 PolarHBondContact O-N 3.37Å
69	A	82.4	Confident	90.6	Very high	80 Å²	80	81.4 Å²	81.4	66%	0.661	46%	0.457	S	S	*	.			trans	-73.1	72.4	-176.9	0	0	0	0	111.7	P66 E67	P66-A69 WeakPolarHBondContact O-CB 3.37Å; P66-A69 PolarHBondContact O-N 3.04Å; E67-A69 VanDerWaalsContact C-N 3.31Å
70	V	86.9	Confident	90.8	Very high	107 Å²	107	79.3 Å²	79.3	65%	0.648	44%	0.438	S	S	*	.			trans	-105.6	125.1	173.9	179.7	0	0	0	108.3	D68 D72	D68-V70 PolarHBondContact O-N 3.37Å; V70-D72 PolarHBondContact O-N 2.98Å
71	L	89.8	Confident	91	Very high	128 Å²	128	80.3 Å²	80.3	67%	0.67	45%	0.448	S	S	*	.			trans	-72.7	95.5	172.5	-177.8	66.5	0	0	109.8	V73 I76	L71-V73 VanDerWaalsContact C-N 3.35Å; L71-V73 HydrophobicContact CD2-CG2 4.06Å; L71-V73 HydrophobicContact CG-CG2 3.98Å; L71-V73 PolarHBondContact O-N 3.45Å; L71-I76 HydrophobicContact CD1-CD1 3.61Å
72	D	92	Very high	91.2	Very high	61 Å²	61	79.6 Å²	79.6	33%	0.326	45%	0.449	S	S	.	.			trans	-79.5	80	177	-173.2	-3.8	0	0	111.2	V70 Q74 G75 I76 W103	V70-D72 PolarHBondContact O-N 2.98Å; D72-Q74 VanDerWaalsContact C-N 3.26Å; D72-Q74 PolarHBondContact O-N 2.84Å; D72-Q74 PolarHBondContact OD1-N 3.37Å; D72-G75 PolarHBondContact O-N 3.29Å; D72-G75 PolarHBondContact OD1-N 2.98Å; D72-I76 WeakPolarHBondContact O-CB 3.43Å; D72-I76 VanDerWaalsContact O-CG1 3.26Å; D72-I76 WeakPolarHBondContact O-CG1 3.37Å; D72-I76 PolarHBondContact O-N 3.02Å; D72-W103 HydrophobicContact CB-CH2 4.3Å; D72-W103 HydrophobicContact CB-CZ2 4.07Å
73	V	93.7	Very high	91.6	Very high	98 Å²	98	77.3 Å²	77.3	59%	0.594	44%	0.437	S	S	*	.	H	α-helix	trans	-57.7	-39.8	-178.4	177.8	0	0	0	111.9	L71 A77	L71-V73 VanDerWaalsContact C-N 3.35Å; L71-V73 HydrophobicContact CD2-CG2 4.06Å; L71-V73 HydrophobicContact CG-CG2 3.98Å; L71-V73 PolarHBondContact O-N 3.45Å; V73-A77 WeakPolarHBondContact O-CB 3.33Å; V73-A77 PolarHBondContact O-N 3.31Å
74	Q	93	Very high	92.1	Very high	148 Å²	148	72 Å²	72	69%	0.692	42%	0.417	S	S	*	.	H	α-helix	trans	-72	-43.5	-178.7	-174.3	175.9	2.7	0	111.2	D72 A77 T78	D72-Q74 VanDerWaalsContact C-N 3.26Å; D72-Q74 PolarHBondContact O-N 2.84Å; D72-Q74 PolarHBondContact OD1-N 3.37Å; Q74-A77 PolarHBondContact O-N 2.64Å; Q74-T78 WeakPolarHBondContact O-CB 3.49Å; Q74-T78 PolarHBondContact O-N 2.94Å; Q74-T78 PolarHBondContact O-OG1 3.16Å
75	G	94.1	Very high	92.5	Very high	6 Å²	6	71.7 Å²	71.7	6%	0.062	41%	0.411	C	S	.	.	H	α-helix	trans	-57.7	-48.3	172.6	0	0	0	0	111.5	D72 A77 T78 V79 W103	D72-G75 PolarHBondContact O-N 3.29Å; D72-G75 PolarHBondContact OD1-N 2.98Å; G75-A77 PolarHBondContact O-N 2.99Å; G75-T78 PolarHBondContact O-N 2.78Å; G75-T78 VanDerWaalsContact O-N 3.16Å; G75-V79 WeakPolarHBondContact O-CB 3.4Å; G75-V79 WeakPolarHBondContact O-CG1 3.35Å; G75-V79 PolarHBondContact O-N 3.4Å; G75-W103 VanDerWaalsContact C-CH2 3.46Å
76	I	96.5	Very high	92.9	Very high	15 Å²	15	67.2 Å²	67.2	8%	0.077	39%	0.394	C	S	.	.	H	α-helix	trans	-58	-50	177.1	-69.6	168.8	0	0	110.4	P51 V54 L71 D72 T78 V79 T80 W103	P51-I76 HydrophobicContact CB-CG2 3.86Å; P51-I76 WeakPolarHBondContact O-CG2 3.42Å; V54-I76 HydrophobicContact CB-CG2 4.45Å; V54-I76 HydrophobicContact CG1-CG2 4.32Å; L71-I76 HydrophobicContact CD1-CD1 3.61Å; D72-I76 WeakPolarHBondContact O-CB 3.43Å; D72-I76 VanDerWaalsContact O-CG1 3.26Å; D72-I76 WeakPolarHBondContact O-CG1 3.37Å; D72-I76 PolarHBondContact O-N 3.02Å; I76-T78 PolarHBondContact O-N 2.67Å; I76-V79 PolarHBondContact O-N 3.4Å; I76-T80 WeakPolarHBondContact O-CB 3.38Å; I76-T80 PolarHBondContact O-N 2.95Å; I76-T80 PolarHBondContact O-OG1 3.16Å; I76-W103 HydrophobicContact CB-CH2 4.41Å; I76-W103 HydrophobicContact CB-CZ3 4.45Å; I76-W103 HydrophobicContact CG1-CH2 3.67Å; I76-W103 HydrophobicContact CG1-CZ3 3.77Å; I76-W103 VanDerWaalsContact N-CH2 3.34Å
77	A	95.7	Very high	93.7	Very high	64 Å²	64	62.5 Å²	62.5	53%	0.529	36%	0.363	S	S	.	.	H	α-helix	trans	-60.2	-35.6	179.9	0	0	0	0	112.3	V73 Q74 G75 P81	V73-A77 WeakPolarHBondContact O-CB 3.33Å; V73-A77 PolarHBondContact O-N 3.31Å; Q74-A77 PolarHBondContact O-N 2.64Å; G75-A77 PolarHBondContact O-N 2.99Å; A77-P81 WeakPolarHBondContact O-CD 3.46Å
78	T	96	Very high	94.4	Very high	75 Å²	75	59.3 Å²	59.3	46%	0.46	35%	0.353	S	S	.	.	H	α-helix	trans	-76.5	-42.3	179.9	-53.4	0	0	0	112.2	Q74 G75 I76 P81 I106	Q74-T78 WeakPolarHBondContact O-CB 3.49Å; Q74-T78 PolarHBondContact O-N 2.94Å; Q74-T78 PolarHBondContact O-OG1 3.16Å; G75-T78 PolarHBondContact O-N 2.78Å; G75-T78 VanDerWaalsContact O-N 3.16Å; I76-T78 PolarHBondContact O-N 2.67Å; T78-P81 WeakPolarHBondContact O-CD 3.39Å; T78-P81 WeakPolarHBondContact O-CG 3.49Å; T78-I106 HydrophobicContact CG2-CD1 4.19Å
79	V	97.1	Very high	95.1	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.006	37%	0.365	C	S	.	.	H	α-helix	trans	-79.8	-28.8	-175	75.8	0	0	0	113.2	V54 G75 I76 A82 I83 E102 W103 I106	V54-V79 HydrophobicContact CG1-CG1 3.79Å; G75-V79 WeakPolarHBondContact O-CB 3.4Å; G75-V79 WeakPolarHBondContact O-CG1 3.35Å; G75-V79 PolarHBondContact O-N 3.4Å; I76-V79 PolarHBondContact O-N 3.4Å; V79-A82 WeakPolarHBondContact O-CA 3.49Å; V79-A82 WeakPolarHBondContact O-CB 3.5Å; V79-A82 PolarHBondContact O-N 3.43Å; V79-I83 HydrophobicContact CB-CD1 4.21Å; V79-I83 HydrophobicContact CG1-CD1 3.73Å; V79-I83 HydrophobicContact CG2-CD1 3.64Å; V79-I83 HydrophobicContact CG2-CG1 3.97Å; V79-I83 WeakPolarHBondContact O-CG1 3.34Å; V79-I83 PolarHBondContact O-N 2.85Å; V79-E102 HydrophobicContact CG2-CB 3.87Å; V79-W103 HydrophobicContact CB-CE3 4.18Å; V79-W103 HydrophobicContact CB-CZ3 4.38Å; V79-W103 HydrophobicContact CG1-CD2 4.43Å; V79-W103 HydrophobicContact CG1-CE3 3.4Å; V79-W103 VanDerWaalsContact CG1-CE3 3.4Å; V79-W103 HydrophobicContact CG1-CH2 4.33Å; V79-W103 HydrophobicContact CG1-CZ3 3.34Å; V79-W103 HydrophobicContact CG2-CE3 4.37Å; V79-I106 VanDerWaalsContact CA-CD1 3.5Å; V79-I106 HydrophobicContact CB-CD1 3.52Å; V79-I106 HydrophobicContact CG2-CD1 3.57Å
80	T	98.2	Very high	95.9	Very high	11 Å²	11	62.1 Å²	62.1	7%	0.067	35%	0.353	C	S	.	.	H	α-helix	trans	-53.5	-50.9	-175.3	-62.1	0	0	0	112.5	Q50 P51 V54 I76 A82 I83 V84	Q50-T80 HydrophobicContact CB-CG2 4.12Å; P51-T80 HydrophobicContact CG-CG2 4.2Å; V54-T80 HydrophobicContact CG2-CG2 4.31Å; I76-T80 WeakPolarHBondContact O-CB 3.38Å; I76-T80 PolarHBondContact O-N 2.95Å; I76-T80 PolarHBondContact O-OG1 3.16Å; T80-A82 VanDerWaalsContact C-N 3.28Å; T80-A82 PolarHBondContact O-N 2.99Å; T80-I83 PolarHBondContact O-N 3.2Å; T80-I83 VanDerWaalsContact O-N 3.14Å; T80-V84 HydrophobicContact CG2-CG2 4.45Å; T80-V84 WeakPolarHBondContact O-CG2 3.43Å; T80-V84 PolarHBondContact O-N 2.95Å
81	P	98.1	Very high	96.4	Very high	79 Å²	79	62.5 Å²	62.5	51%	0.513	35%	0.345	S	S	.	.	H	α-helix	trans	-61.5	-34.4	177.6	23.4	-34.5	0	0	113.3	A77 T78 V84 Q85	A77-P81 WeakPolarHBondContact O-CD 3.46Å; T78-P81 WeakPolarHBondContact O-CD 3.39Å; T78-P81 WeakPolarHBondContact O-CG 3.49Å; P81-V84 PolarHBondContact O-N 2.86Å; P81-Q85 PolarHBondContact O-N 3.38Å
82	A	97.4	Very high	96.7	Very high	31 Å²	31	64.5 Å²	64.5	26%	0.256	35%	0.351	S	S	.	.	H	α-helix	trans	-66.3	-40	175.7	0	0	0	0	111.7	V79 T80 Q85 A86	V79-A82 WeakPolarHBondContact O-CA 3.49Å; V79-A82 WeakPolarHBondContact O-CB 3.5Å; V79-A82 PolarHBondContact O-N 3.43Å; T80-A82 VanDerWaalsContact C-N 3.28Å; T80-A82 PolarHBondContact O-N 2.99Å; A82-Q85 PolarHBondContact O-N 3.44Å; A82-A86 WeakPolarHBondContact O-CB 3.42Å; A82-A86 PolarHBondContact O-N 3.35Å
83	I	98.3	Very high	97	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-66.3	-42.3	175.4	-67	157.3	0	0	110.9	F42 V54 V79 T80 Q85 A86 C87 F95 V99 E102	F42-I83 HydrophobicContact CD1-CG2 4.31Å; F42-I83 HydrophobicContact CE1-CG2 3.79Å; F42-I83 HydrophobicContact CZ-CG2 4.13Å; V54-I83 HydrophobicContact CB-CD1 4.45Å; V54-I83 HydrophobicContact CG1-CD1 3.75Å; V54-I83 HydrophobicContact CG2-CD1 3.8Å; V79-I83 HydrophobicContact CB-CD1 4.21Å; V79-I83 HydrophobicContact CG1-CD1 3.73Å; V79-I83 HydrophobicContact CG2-CD1 3.64Å; V79-I83 HydrophobicContact CG2-CG1 3.97Å; V79-I83 WeakPolarHBondContact O-CG1 3.34Å; V79-I83 PolarHBondContact O-N 2.85Å; T80-I83 PolarHBondContact O-N 3.2Å; T80-I83 VanDerWaalsContact O-N 3.14Å; I83-Q85 VanDerWaalsContact C-N 3.32Å; I83-Q85 PolarHBondContact O-N 3.05Å; I83-A86 PolarHBondContact O-N 2.91Å; I83-C87 VanDerWaalsContact O-CB 3.27Å; I83-C87 WeakPolarHBondContact O-CB 3.44Å; I83-C87 PolarHBondContact O-N 3.2Å; I83-F95 HydrophobicContact CG2-CD2 4.4Å; I83-F95 HydrophobicContact CG2-CE2 3.92Å; I83-V99 HydrophobicContact CD1-CB 4.28Å; I83-V99 HydrophobicContact CD1-CG1 4.18Å; I83-V99 HydrophobicContact CD1-CG2 3.98Å; I83-V99 HydrophobicContact CG2-CG2 4.37Å; I83-E102 HydrophobicContact CG1-CB 3.79Å; I83-E102 HydrophobicContact CG1-CG 3.94Å
84	V	98.5	Very high	97.2	Very high	37 Å²	37	60.3 Å²	60.3	22%	0.224	33%	0.328	C	S	.	.	H	α-helix	trans	-57.6	-47.2	174.7	172.2	0	0	0	110.8	F42 L43 T80 P81 C87 T88	F42-V84 HydrophobicContact CE1-CG2 3.76Å; F42-V84 HydrophobicContact CZ-CG2 3.87Å; L43-V84 HydrophobicContact CD2-CG1 4.15Å; T80-V84 HydrophobicContact CG2-CG2 4.45Å; T80-V84 WeakPolarHBondContact O-CG2 3.43Å; T80-V84 PolarHBondContact O-N 2.95Å; P81-V84 PolarHBondContact O-N 2.86Å; V84-C87 PolarHBondContact O-N 3.42Å; V84-T88 WeakPolarHBondContact O-CB 3.37Å; V84-T88 PolarHBondContact O-N 3.01Å; V84-T88 PolarHBondContact O-OG1 2.78Å
85	Q	98.1	Very high	97.5	Very high	125 Å²	125	53.2 Å²	53.2	58%	0.584	30%	0.295	S	S	*	.	H	α-helix	trans	-61.9	-48	176.9	-177	177.7	-13.1	0	111.5	P81 A82 I83 C87 T88 Q89	P81-Q85 PolarHBondContact O-N 3.38Å; A82-Q85 PolarHBondContact O-N 3.44Å; I83-Q85 VanDerWaalsContact C-N 3.32Å; I83-Q85 PolarHBondContact O-N 3.05Å; Q85-C87 PolarHBondContact O-N 3.37Å; Q85-T88 WeakPolarHBondContact O-CB 3.42Å; Q85-T88 PolarHBondContact O-N 2.99Å; Q85-Q89 WeakPolarHBondContact O-CG 3.47Å; Q85-Q89 PolarHBondContact O-N 2.81Å
86	A	97.9	Very high	97.7	Very high	10 Å²	10	54.9 Å²	54.9	8%	0.083	30%	0.3	C	S	.	.	H	α-helix	trans	-62.2	-42.8	179.5	0	0	0	0	112.3	A82 I83 T88 Q89 D90 E102	A82-A86 WeakPolarHBondContact O-CB 3.42Å; A82-A86 PolarHBondContact O-N 3.35Å; I83-A86 PolarHBondContact O-N 2.91Å; A86-T88 VanDerWaalsContact C-N 3.32Å; A86-T88 PolarHBondContact O-N 3.03Å; A86-Q89 PolarHBondContact O-N 3.32Å; A86-D90 PolarHBondContact O-N 3.44Å; A86-D90 VanDerWaalsContact O-N 3.14Å; A86-E102 HydrophobicContact CB-CG 4.16Å
87	C	98.3	Very high	97.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-69.2	-29.5	177.2	-81.7	0	0	0	113	C39 F42 L43 I83 V84 Q85 Q89 D90 K91	C39-C87 VanDerWaalsContact CA-SG 3.52Å; C39-C87 HydrophobicContact CB-CB 3.33Å; C39-C87 WeakPolarHBondContact CB-SG 3.22Å; C39-C87 WeakPolarHBondContact SG-CA 3.41Å; C39-C87 WeakPolarHBondContact SG-CB 3.45Å; C39-C87 CovalentContact SG-SG 2.05Å; C39-C87 PolarHBondContact SG-SG 3.04Å; F42-C87 HydrophobicContact CD1-CB 4.17Å; L43-C87 HydrophobicContact CD1-CB 4.15Å; L43-C87 HydrophobicContact CD2-CB 4.23Å; L43-C87 HydrophobicContact CG-CB 4.06Å; I83-C87 VanDerWaalsContact O-CB 3.27Å; I83-C87 WeakPolarHBondContact O-CB 3.44Å; I83-C87 PolarHBondContact O-N 3.2Å; V84-C87 PolarHBondContact O-N 3.42Å; Q85-C87 PolarHBondContact O-N 3.37Å; C87-Q89 VanDerWaalsContact C-N 3.28Å; C87-Q89 PolarHBondContact O-N 2.76Å; C87-D90 CarbonylContact O-C 3.43Å; C87-D90 VanDerWaalsContact O-C 3.26Å; C87-D90 PolarHBondContact O-N 3.32Å; C87-K91 WeakPolarHBondContact O-CA 3.29Å; C87-K91 PolarHBondContact O-N 3.3Å
88	T	98.1	Very high	97.8	Very high	81 Å²	81	58.8 Å²	58.8	50%	0.497	31%	0.309	S	S	.	.	H	α-helix	trans	-65.9	-35.2	173.4	-61	0	0	0	111.2	V84 Q85 A86	V84-T88 WeakPolarHBondContact O-CB 3.37Å; V84-T88 PolarHBondContact O-N 3.01Å; V84-T88 PolarHBondContact O-OG1 2.78Å; Q85-T88 WeakPolarHBondContact O-CB 3.42Å; Q85-T88 PolarHBondContact O-N 2.99Å; A86-T88 VanDerWaalsContact C-N 3.32Å; A86-T88 PolarHBondContact O-N 3.03Å
89	Q	97.7	Very high	97.9	Very high	154 Å²	154	55.3 Å²	55.3	72%	0.72	29%	0.288	S	S	*	.	H	α-helix	trans	-74.7	-33.3	178	-67.6	175.5	-25.2	0	113	Q85 A86 C87	Q85-Q89 WeakPolarHBondContact O-CG 3.47Å; Q85-Q89 PolarHBondContact O-N 2.81Å; A86-Q89 PolarHBondContact O-N 3.32Å; C87-Q89 VanDerWaalsContact C-N 3.28Å; C87-Q89 PolarHBondContact O-N 2.76Å
90	D	97.8	Very high	97.9	Very high	74 Å²	74	60.1 Å²	60.1	40%	0.396	31%	0.309	S	S	.	.			trans	-138	85.9	179.2	-175	-1.7	0	0	111.1	C39 A86 C87 Q92 A93	C39-D90 WeakPolarHBondContact CB-O 3.48Å; A86-D90 PolarHBondContact O-N 3.44Å; A86-D90 VanDerWaalsContact O-N 3.14Å; C87-D90 CarbonylContact O-C 3.43Å; C87-D90 VanDerWaalsContact O-C 3.26Å; C87-D90 PolarHBondContact O-N 3.32Å; D90-Q92 PolarHBondContact O-N 3.14Å; D90-Q92 PolarHBondContact OD1-N 3.46Å; D90-A93 HydrophobicContact CB-CB 4.25Å; D90-A93 WeakPolarHBondContact O-CB 3.47Å; D90-A93 PolarHBondContact O-N 2.87Å; D90-A93 PolarHBondContact OD1-N 3.02Å
91	K	97.7	Very high	97.8	Very high	114 Å²	114	61.1 Å²	61.1	50%	0.496	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.2	-177.5	-64	-173	179	-173.1	113.5	C39 E40 L43 C87	C39-K91 CarbonylContact C-O 3.26Å; C39-K91 PolarHBondContact N-O 3.26Å; E40-K91 HydrophobicContact CB-CB 4.22Å; E40-K91 PolarHBondContact N-O 3.48Å; L43-K91 HydrophobicContact CD1-CG 4.26Å; C87-K91 WeakPolarHBondContact O-CA 3.29Å; C87-K91 PolarHBondContact O-N 3.3Å
92	Q	97.3	Very high	97.8	Very high	170 Å²	170	58.4 Å²	58.4	79%	0.794	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-13	-177	-64.5	-172.4	13.1	0	113.1	D90	D90-Q92 PolarHBondContact O-N 3.14Å; D90-Q92 PolarHBondContact OD1-N 3.46Å
93	A	98.1	Very high	97.6	Very high	15 Å²	15	57.6 Å²	57.6	12%	0.124	29%	0.291	C	S	.	.	S	Bend	trans	-55	148.7	175.9	0	0	0	0	112.2	T38 C39 D90 F95 K98	T38-A93 CarbonylContact C-O 3.58Å; T38-A93 VanDerWaalsContact CA-O 3.23Å; T38-A93 WeakPolarHBondContact CA-O 3.45Å; C39-A93 PolarHBondContact N-O 3.36Å; D90-A93 HydrophobicContact CB-CB 4.25Å; D90-A93 WeakPolarHBondContact O-CB 3.47Å; D90-A93 PolarHBondContact O-N 2.87Å; D90-A93 PolarHBondContact OD1-N 3.02Å; A93-F95 PolarHBondContact O-N 2.9Å; A93-K98 HydrophobicContact CB-CD 4.43Å; A93-K98 HydrophobicContact CB-CG 3.82Å
94	N	98.3	Very high	97.5	Very high	56 Å²	56	60.2 Å²	60.2	30%	0.299	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-64.2	123.9	169.1	-177.3	-77.8	0	0	109.4	K96 D97 K98	N94-K96 WeakPolarHBondContact OD1-CB 3.26Å; N94-K96 PolarHBondContact OD1-N 3.38Å; N94-D97 HydrophobicContact CB-CB 4.12Å; N94-D97 WeakPolarHBondContact CB-OD2 3.41Å; N94-D97 PolarHBondContact O-N 3.22Å; N94-D97 PolarHBondContact OD1-N 3.47Å; N94-K98 PolarHBondContact O-N 3Å; N94-K98 VanDerWaalsContact O-N 3.08Å
95	F	98.3	Very high	97.2	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-48.1	-176.1	166.6	-120.5	0	0	111.8	V34 W37 F42 A53 V54 A57 I83 A93 D97 K98 V99	V34-F95 HydrophobicContact CG1-CD1 4.23Å; V34-F95 HydrophobicContact CG1-CE1 4.11Å; W37-F95 HydrophobicContact CB-CB 4Å; W37-F95 HydrophobicContact CB-CD1 4.21Å; W37-F95 HydrophobicContact CB-CG 4.5Å; W37-F95 HydrophobicContact CE3-CD1 4.01Å; W37-F95 HydrophobicContact CE3-CE1 4.15Å; W37-F95 PolarHBondContact O-N 3.42Å; F42-F95 HydrophobicContact CB-CD1 4.48Å; F42-F95 HydrophobicContact CB-CD2 3.54Å; F42-F95 HydrophobicContact CB-CE2 3.75Å; F42-F95 HydrophobicContact CB-CG 3.94Å; F42-F95 HydrophobicContact CB-CZ 4.31Å; F42-F95 HydrophobicContact CD1-CD2 4.07Å; F42-F95 AromaticContact CD1-CE2 3.84Å; F42-F95 HydrophobicContact CD1-CE2 3.84Å; F42-F95 HydrophobicContact CD2-CD2 4.03Å; F42-F95 HydrophobicContact CD2-CE1 4.31Å; F42-F95 AromaticContact CD2-CE2 3.28Å; F42-F95 HydrophobicContact CD2-CE2 3.28Å; F42-F95 AromaticContact CD2-CZ 3.46Å; F42-F95 HydrophobicContact CD2-CZ 3.46Å; F42-F95 VanDerWaalsContact CD2-CZ 3.46Å; F42-F95 HydrophobicContact CE1-CE2 4.26Å; F42-F95 AromaticContact CE2-CE2 3.76Å; F42-F95 HydrophobicContact CE2-CE2 3.76Å; F42-F95 AromaticContact CE2-CZ 3.93Å; F42-F95 HydrophobicContact CE2-CZ 3.93Å; F42-F95 AromaticContact CG-CD2 3.6Å; F42-F95 HydrophobicContact CG-CD2 3.6Å; F42-F95 AromaticContact CG-CE2 3.32Å; F42-F95 HydrophobicContact CG-CE2 3.32Å; F42-F95 HydrophobicContact CG-CG 4.43Å; F42-F95 AromaticContact CG-CZ 3.95Å; F42-F95 HydrophobicContact CG-CZ 3.95Å; F42-F95 HydrophobicContact CZ-CE2 4.23Å; A53-F95 HydrophobicContact CB-CZ 4.31Å; V54-F95 HydrophobicContact CG2-CZ 4.34Å; A57-F95 HydrophobicContact CB-CD1 4.22Å; A57-F95 HydrophobicContact CB-CE1 3.58Å; A57-F95 HydrophobicContact CB-CZ 4.05Å; I83-F95 HydrophobicContact CG2-CD2 4.4Å; I83-F95 HydrophobicContact CG2-CE2 3.92Å; A93-F95 PolarHBondContact O-N 2.9Å; F95-D97 VanDerWaalsContact C-N 3.32Å; F95-D97 PolarHBondContact O-N 3.41Å; F95-K98 CarbonylContact O-C 3.47Å; F95-K98 WeakPolarHBondContact O-CA 3.17Å; F95-K98 WeakPolarHBondContact O-CB 3.34Å; F95-K98 PolarHBondContact O-N 2.9Å; F95-V99 HydrophobicContact CD2-CG2 3.91Å; F95-V99 HydrophobicContact CE1-CG2 4.15Å; F95-V99 HydrophobicContact CE2-CG2 3.41Å; F95-V99 VanDerWaalsContact CE2-CG2 3.41Å; F95-V99 HydrophobicContact CG-CG2 4.46Å; F95-V99 HydrophobicContact CZ-CG2 3.55Å; F95-V99 WeakPolarHBondContact O-CG2 3.48Å; F95-V99 PolarHBondContact O-N 3.35Å
96	K	97.4	Very high	96.8	Very high	40 Å²	40	59.1 Å²	59.1	17%	0.174	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-40.6	-176.2	-172.2	-167.9	68.2	177.7	111.9	N35 A57 L60 N61 N94 K98 V99 K100	N35-K96 WeakPolarHBondContact OD1-CD 3.43Å; N35-K96 WeakPolarHBondContact OD1-CE 3.44Å; N35-K96 PolarHBondContact OD1-NZ 3.33Å; A57-K96 HydrophobicContact CB-CG 4.49Å; L60-K96 HydrophobicContact CB-CD 4.13Å; N61-K96 PolarHBondContact ND2-O 2.92Å; N61-K96 WeakPolarHBondContact OD1-CD 3.02Å; N61-K96 WeakPolarHBondContact OD1-CE 3.05Å; N61-K96 WeakPolarHBondContact OD1-CG 3.48Å; N94-K96 WeakPolarHBondContact OD1-CB 3.26Å; N94-K96 PolarHBondContact OD1-N 3.38Å; K96-K98 VanDerWaalsContact C-N 3.31Å; K96-V99 PolarHBondContact O-N 2.97Å; K96-K100 PolarHBondContact O-N 3.23Å
97	D	97.9	Very high	96.1	Very high	96 Å²	96	63.7 Å²	63.7	51%	0.513	32%	0.315	S	S	.	.	H	α-helix	trans	-67.1	-35.1	175.6	-62.4	-23.6	0	0	111.3	N94 F95 K100 G101	N94-D97 HydrophobicContact CB-CB 4.12Å; N94-D97 WeakPolarHBondContact CB-OD2 3.41Å; N94-D97 PolarHBondContact O-N 3.22Å; N94-D97 PolarHBondContact OD1-N 3.47Å; F95-D97 VanDerWaalsContact C-N 3.32Å; F95-D97 PolarHBondContact O-N 3.41Å; D97-K100 PolarHBondContact O-N 3.44Å; D97-G101 PolarHBondContact O-N 3.21Å
98	K	97.7	Very high	94.9	Very high	66 Å²	66	71.5 Å²	71.5	29%	0.287	35%	0.349	S	S	.	.	H	α-helix	trans	-66.4	-42.7	172	-78.1	-66	176.5	-172.5	113	A93 N94 F95 K96 K100 G101 E102	A93-K98 HydrophobicContact CB-CD 4.43Å; A93-K98 HydrophobicContact CB-CG 3.82Å; N94-K98 PolarHBondContact O-N 3Å; N94-K98 VanDerWaalsContact O-N 3.08Å; F95-K98 CarbonylContact O-C 3.47Å; F95-K98 WeakPolarHBondContact O-CA 3.17Å; F95-K98 WeakPolarHBondContact O-CB 3.34Å; F95-K98 PolarHBondContact O-N 2.9Å; K96-K98 VanDerWaalsContact C-N 3.31Å; K98-K100 VanDerWaalsContact C-N 3.31Å; K98-K100 PolarHBondContact O-N 3.44Å; K98-G101 PolarHBondContact O-N 3.04Å; K98-E102 WeakPolarHBondContact O-CG 3.41Å; K98-E102 PolarHBondContact O-N 3.3Å
99	V	97.8	Very high	93.2	Very high	1 Å²	1	74.3 Å²	74.3	1%	0.006	36%	0.361	C	S	.	.	H	α-helix	trans	-55.4	-50.3	172.8	175.5	0	0	0	109.9	V54 A57 I83 F95 K96 G101 E102 W103	V54-V99 HydrophobicContact CG1-CG1 4.19Å; A57-V99 HydrophobicContact CB-CB 4.09Å; A57-V99 HydrophobicContact CB-CG1 4.16Å; A57-V99 HydrophobicContact CB-CG2 3.73Å; I83-V99 HydrophobicContact CD1-CB 4.28Å; I83-V99 HydrophobicContact CD1-CG1 4.18Å; I83-V99 HydrophobicContact CD1-CG2 3.98Å; I83-V99 HydrophobicContact CG2-CG2 4.37Å; F95-V99 HydrophobicContact CD2-CG2 3.91Å; F95-V99 HydrophobicContact CE1-CG2 4.15Å; F95-V99 HydrophobicContact CE2-CG2 3.41Å; F95-V99 VanDerWaalsContact CE2-CG2 3.41Å; F95-V99 HydrophobicContact CG-CG2 4.46Å; F95-V99 HydrophobicContact CZ-CG2 3.55Å; F95-V99 WeakPolarHBondContact O-CG2 3.48Å; F95-V99 PolarHBondContact O-N 3.35Å; K96-V99 PolarHBondContact O-N 2.97Å; V99-G101 PolarHBondContact O-N 3Å; V99-E102 PolarHBondContact O-N 2.99Å; V99-W103 WeakPolarHBondContact O-CB 3.37Å; V99-W103 PolarHBondContact O-N 3.17Å
100	K	96.3	Very high	91.4	Very high	103 Å²	103	75.9 Å²	75.9	45%	0.448	37%	0.371	S	S	.	.	H	α-helix	trans	-56.8	-48.9	176.8	178.3	167.3	173.7	43	111.9	K96 D97 K98 W103 D104	K96-K100 PolarHBondContact O-N 3.23Å; D97-K100 PolarHBondContact O-N 3.44Å; K98-K100 VanDerWaalsContact C-N 3.31Å; K98-K100 PolarHBondContact O-N 3.44Å; K100-W103 PolarHBondContact O-N 3.15Å; K100-D104 IonicContact NZ-OD1 3.55Å; K100-D104 IonicContact NZ-OD2 2.79Å; K100-D104 PolarHBondContact NZ-OD2 3.03Å; K100-D104 WeakPolarHBondContact O-CB 3.49Å; K100-D104 PolarHBondContact O-N 2.95Å
101	G	97.1	Very high	91	Very high	31 Å²	31	76 Å²	76	32%	0.32	37%	0.369	S	S	.	.	H	α-helix	trans	-62.7	-43.3	-176.9	0	0	0	0	113.7	D97 K98 V99 K105	D97-G101 PolarHBondContact O-N 3.21Å; K98-G101 PolarHBondContact O-N 3.04Å; V99-G101 PolarHBondContact O-N 3Å; G101-K105 WeakPolarHBondContact O-CG 3.35Å; G101-K105 PolarHBondContact O-N 3.01Å
102	E	97.2	Very high	90.7	Very high	22 Å²	22	73.9 Å²	73.9	10%	0.103	36%	0.363	C	S	.	.	H	α-helix	trans	-72.9	-36.9	177	-61.6	-48.8	132	0	111.8	V79 I83 A86 K98 V99 D104 K105 I106	V79-E102 HydrophobicContact CG2-CB 3.87Å; I83-E102 HydrophobicContact CG1-CB 3.79Å; I83-E102 HydrophobicContact CG1-CG 3.94Å; A86-E102 HydrophobicContact CB-CG 4.16Å; K98-E102 WeakPolarHBondContact O-CG 3.41Å; K98-E102 PolarHBondContact O-N 3.3Å; V99-E102 PolarHBondContact O-N 2.99Å; E102-D104 PolarHBondContact O-N 2.9Å; E102-K105 WeakPolarHBondContact O-CB 3.34Å; E102-K105 PolarHBondContact O-N 3.1Å; E102-K105 VanDerWaalsContact O-N 3.14Å; E102-K105 IonicContact OE1-NZ 2.78Å; E102-K105 PolarHBondContact OE1-NZ 3.21Å; E102-K105 WeakPolarHBondContact OE2-CD 3.48Å; E102-K105 IonicContact OE2-NZ 2.75Å; E102-K105 PolarHBondContact OE2-NZ 2.75Å; E102-I106 PolarHBondContact O-N 2.71Å
103	W	94.6	Very high	90.3	Very high	14 Å²	14	68.6 Å²	68.6	5%	0.053	34%	0.339	C	S	.	.	H	α-helix	trans	-62.4	-42.6	175.1	-158.9	-66	0	0	112	V54 E58 D72 G75 I76 V79 V99 K100 K105 I106 K107	V54-W103 HydrophobicContact CG1-CZ3 4.26Å; E58-W103 HydrophobicContact CG-CD2 4.18Å; E58-W103 HydrophobicContact CG-CE3 3.96Å; E58-W103 HydrophobicContact CG-CH2 4.24Å; E58-W103 HydrophobicContact CG-CZ2 4.42Å; E58-W103 HydrophobicContact CG-CZ3 4Å; D72-W103 HydrophobicContact CB-CH2 4.3Å; D72-W103 HydrophobicContact CB-CZ2 4.07Å; G75-W103 VanDerWaalsContact C-CH2 3.46Å; I76-W103 HydrophobicContact CB-CH2 4.41Å; I76-W103 HydrophobicContact CB-CZ3 4.45Å; I76-W103 HydrophobicContact CG1-CH2 3.67Å; I76-W103 HydrophobicContact CG1-CZ3 3.77Å; I76-W103 VanDerWaalsContact N-CH2 3.34Å; V79-W103 HydrophobicContact CB-CE3 4.18Å; V79-W103 HydrophobicContact CB-CZ3 4.38Å; V79-W103 HydrophobicContact CG1-CD2 4.43Å; V79-W103 HydrophobicContact CG1-CE3 3.4Å; V79-W103 VanDerWaalsContact CG1-CE3 3.4Å; V79-W103 HydrophobicContact CG1-CH2 4.33Å; V79-W103 HydrophobicContact CG1-CZ3 3.34Å; V79-W103 HydrophobicContact CG2-CE3 4.37Å; V99-W103 WeakPolarHBondContact O-CB 3.37Å; V99-W103 PolarHBondContact O-N 3.17Å; K100-W103 PolarHBondContact O-N 3.15Å; W103-K105 PolarHBondContact O-N 3.42Å; W103-I106 PolarHBondContact O-N 2.79Å; W103-K107 PolarHBondContact O-N 3.25Å
104	D	94.4	Very high	89.9	Confident	56 Å²	56	71.8 Å²	71.8	30%	0.299	35%	0.351	S	S	.	.	H	α-helix	trans	-67.1	-13.7	177	-72.8	-17.7	0	0	113.1	K100 E102 K108	K100-D104 IonicContact NZ-OD1 3.55Å; K100-D104 IonicContact NZ-OD2 2.79Å; K100-D104 PolarHBondContact NZ-OD2 3.03Å; K100-D104 WeakPolarHBondContact O-CB 3.49Å; K100-D104 PolarHBondContact O-N 2.95Å; E102-D104 PolarHBondContact O-N 2.9Å; D104-K108 WeakPolarHBondContact O-CD 3.15Å; D104-K108 WeakPolarHBondContact O-CE 3.16Å; D104-K108 WeakPolarHBondContact O-CG 3.41Å; D104-K108 PolarHBondContact O-NZ 2.99Å
105	K	93.3	Very high	89.3	Confident	104 Å²	104	72.8 Å²	72.8	45%	0.452	36%	0.355	S	S	.	.	H	α-helix	trans	-81.7	-49.2	170.5	-66.5	171.9	-164.4	169.3	110.6	G101 E102 W103 K107 K108	G101-K105 WeakPolarHBondContact O-CG 3.35Å; G101-K105 PolarHBondContact O-N 3.01Å; E102-K105 WeakPolarHBondContact O-CB 3.34Å; E102-K105 PolarHBondContact O-N 3.1Å; E102-K105 VanDerWaalsContact O-N 3.14Å; E102-K105 IonicContact OE1-NZ 2.78Å; E102-K105 PolarHBondContact OE1-NZ 3.21Å; E102-K105 WeakPolarHBondContact OE2-CD 3.48Å; E102-K105 IonicContact OE2-NZ 2.75Å; E102-K105 PolarHBondContact OE2-NZ 2.75Å; W103-K105 PolarHBondContact O-N 3.42Å; K105-K107 VanDerWaalsContact C-N 3.34Å; K105-K107 PolarHBondContact O-N 3.19Å; K105-K108 WeakPolarHBondContact O-CB 3.36Å; K105-K108 PolarHBondContact O-N 3.45Å
106	I	88.8	Confident	88.7	Confident	35 Å²	35	77.6 Å²	77.6	18%	0.179	38%	0.378	C	S	.	.	H	α-helix	trans	-65.4	-39.2	-178.2	-61.4	176.2	0	0	111.3	T78 V79 E102 W103 K108 D109 M110	T78-I106 HydrophobicContact CG2-CD1 4.19Å; V79-I106 VanDerWaalsContact CA-CD1 3.5Å; V79-I106 HydrophobicContact CB-CD1 3.52Å; V79-I106 HydrophobicContact CG2-CD1 3.57Å; E102-I106 PolarHBondContact O-N 2.71Å; W103-I106 PolarHBondContact O-N 2.79Å; I106-K108 PolarHBondContact O-N 2.95Å; I106-K108 VanDerWaalsContact O-N 3.15Å; I106-D109 PolarHBondContact O-N 2.91Å; I106-M110 HydrophobicContact CG2-CG 4.39Å; I106-M110 HydrophobicContact CG2-SD 4.14Å; I106-M110 PolarHBondContact O-N 3.04Å
107	K	83.5	Confident	88.1	Confident	106 Å²	106	80.3 Å²	80.3	46%	0.461	39%	0.393	S	S	.	.	H	α-helix	trans	-62	-18.3	174.2	-84	-176.1	170.1	147.8	114.1	W103 K105	W103-K107 PolarHBondContact O-N 3.25Å; K105-K107 VanDerWaalsContact C-N 3.34Å; K105-K107 PolarHBondContact O-N 3.19Å
108	K	73.3	Confident	87.4	Confident	163 Å²	163	79.1 Å²	79.1	71%	0.709	38%	0.384	S	S	*	.	H	α-helix	trans	-84.2	-18.3	173.5	-71.1	170.8	-174.1	135.1	112.5	D104 K105 I106	D104-K108 WeakPolarHBondContact O-CD 3.15Å; D104-K108 WeakPolarHBondContact O-CE 3.16Å; D104-K108 WeakPolarHBondContact O-CG 3.41Å; D104-K108 PolarHBondContact O-NZ 2.99Å; K105-K108 WeakPolarHBondContact O-CB 3.36Å; K105-K108 PolarHBondContact O-N 3.45Å; I106-K108 PolarHBondContact O-N 2.95Å; I106-K108 VanDerWaalsContact O-N 3.15Å
109	D	62.8	Low	86.5	Confident	141 Å²	141	80.2 Å²	80.2	75%	0.754	39%	0.392	S	S	*	.	H	α-helix	trans	-96.6	-11.8	-179.7	-60.7	-36.2	0	0	112.6	I106	I106-D109 PolarHBondContact O-N 2.91Å
110	M	59.3	Low	85.5	Confident	186 Å²	186	87.4 Å²	87.4	92%	0.916	43%	0.427	S	S	*	.			trans	-97.1	0	173.3	-65.7	-178.1	67.6	0	111.5	I106	I106-M110 HydrophobicContact CG2-CG 4.39Å; I106-M110 HydrophobicContact CG2-SD 4.14Å; I106-M110 PolarHBondContact O-N 3.04Å

Retrieved 110 of 110 residues in 19.8 ms (Link to these results)

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