A0A5K4EHW1_SCHMA Loading...

Putative zinc finger protein

AlphaFold DB , UniProt , Accession A0A5K4EHW1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 188 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.3	Very low	37.5	Very low	233 Å²	233	89 Å²	89	100%	1.148	48%	0.475	S	S	*	.				0	118	0	-70.8	178.8	-168.8	0	0	106.1
2	E	32.3	Very low	36.8	Very low	181 Å²	181	87.4 Å²	87.4	85%	0.846	47%	0.465	S	S	*	.			trans	-69.1	128	173.9	-66	176.6	178.7	0	0	108.8
3	I	34.8	Very low	36.5	Very low	116 Å²	116	87.2 Å²	87.2	60%	0.595	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	109.8	175.2	-56.6	171.8	0	0	0	106.9	I5	I3-I5 HydrophobicContact CG2-CG1 4.03Å
4	S	34.2	Very low	36	Very low	89 Å²	89	88.1 Å²	88.1	62%	0.622	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	110.4	171.4	61.2	0	0	0	0	109.2
5	I	37	Very low	35.9	Very low	101 Å²	101	94.7 Å²	94.7	52%	0.518	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	113.7	173.7	-56	176.8	0	0	0	107.7	I3 F14	I3-I5 HydrophobicContact CG2-CG1 4.03Å; I5-F14 PolarHBondContact O-N 3.14Å
6	F	38.7	Very low	35.7	Very low	126 Å²	126	93 Å²	93	55%	0.553	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	114	170.9	-176.4	-106.6	0	0	0	108.7	P8	F6-P8 HydrophobicContact CD1-CB 4.29Å; F6-P8 HydrophobicContact CE1-CB 3.81Å; F6-P8 VanDerWaalsContact O-CD 3.26Å; F6-P8 WeakPolarHBondContact O-CD 3.41Å
7	D	37.2	Very low	35.8	Very low	41 Å²	41	98.6 Å²	98.6	22%	0.219	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	104.2	169.9	179.5	-12.7	0	0	0	108.7	C9 S10 G11	D7-C9 PolarHBondContact O-N 2.91Å; D7-C9 WeakPolarHBondContact OD1-CA 3.26Å; D7-C9 WeakPolarHBondContact OD1-CB 3.42Å; D7-C9 PolarHBondContact OD1-N 3.03Å; D7-S10 CarbonylContact O-C 3.59Å; D7-S10 PolarHBondContact O-N 3.34Å; D7-S10 PolarHBondContact OD1-N 3.11Å; D7-S10 VanDerWaalsContact OD1-N 3.17Å; D7-S10 WeakPolarHBondContact OD2-CB 3.35Å; D7-S10 PolarHBondContact OD2-OG 3.13Å; D7-G11 PolarHBondContact O-N 3.22Å
8	P	41.8	Very low	35.8	Very low	37 Å²	37	101.9 Å²	101.9	24%	0.24	52%	0.518	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.9	-178.5	19.9	-26.7	0	0	0	113.1	F6 S10 A153	F6-P8 HydrophobicContact CD1-CB 4.29Å; F6-P8 HydrophobicContact CE1-CB 3.81Å; F6-P8 VanDerWaalsContact O-CD 3.26Å; F6-P8 WeakPolarHBondContact O-CD 3.41Å; P8-S10 VanDerWaalsContact C-N 3.33Å; P8-A153 HydrophobicContact CB-CB 4.45Å; P8-A153 WeakPolarHBondContact CB-O 3.45Å; P8-A153 WeakPolarHBondContact CG-O 3.48Å
9	C	38.3	Very low	36	Very low	11 Å²	11	102.7 Å²	102.7	7%	0.074	53%	0.53	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-24.1	174.1	-71.4	0	0	0	0	112.1	D7 L135 H154	D7-C9 PolarHBondContact O-N 2.91Å; D7-C9 WeakPolarHBondContact OD1-CA 3.26Å; D7-C9 WeakPolarHBondContact OD1-CB 3.42Å; D7-C9 PolarHBondContact OD1-N 3.03Å; C9-L135 WeakPolarHBondContact O-CB 3.1Å; C9-H154 PolarHBondContact SG-CE1 2.84Å; C9-H154 PolarHBondContact SG-NE2 3.48Å
10	S	38.5	Very low	36.2	Very low	14 Å²	14	102.4 Å²	102.4	10%	0.098	53%	0.533	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-30.7	179.6	-55.9	0	0	0	0	114.9	D7 P8 I12 H133	D7-S10 CarbonylContact O-C 3.59Å; D7-S10 PolarHBondContact O-N 3.34Å; D7-S10 PolarHBondContact OD1-N 3.11Å; D7-S10 VanDerWaalsContact OD1-N 3.17Å; D7-S10 WeakPolarHBondContact OD2-CB 3.35Å; D7-S10 PolarHBondContact OD2-OG 3.13Å; P8-S10 VanDerWaalsContact C-N 3.33Å; S10-I12 WeakPolarHBondContact O-CG1 3.44Å; S10-I12 PolarHBondContact O-N 2.8Å; S10-I12 VanDerWaalsContact O-N 3.09Å; S10-H133 VanDerWaalsContact CA-CD2 3.49Å; S10-H133 WeakPolarHBondContact CA-CD2 3.26Å; S10-H133 WeakPolarHBondContact CA-NE2 3.35Å; S10-H133 WeakPolarHBondContact CB-NE2 3.32Å; S10-H133 PolarHBondContact OG-CE1 3.01Å; S10-H133 PolarHBondContact OG-NE2 3.41Å
11	G	39.1	Very low	36.3	Very low	30 Å²	30	105.5 Å²	105.5	31%	0.309	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	6	-168.2	0	0	0	0	0	113.8	D7 N70	D7-G11 PolarHBondContact O-N 3.22Å; G11-N70 VanDerWaalsContact CA-CG 3.41Å; G11-N70 WeakPolarHBondContact CA-ND2 3.43Å; G11-N70 PolarHBondContact N-ND2 3.13Å; G11-N70 VanDerWaalsContact N-ND2 3.16Å
12	I	29.9	Very low	36.3	Very low	70 Å²	70	100.3 Å²	100.3	36%	0.359	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.7	-178.1	-60.4	166.8	0	0	0	106.1	S10 F14	S10-I12 WeakPolarHBondContact O-CG1 3.44Å; S10-I12 PolarHBondContact O-N 2.8Å; S10-I12 VanDerWaalsContact O-N 3.09Å; I12-F14 HydrophobicContact CB-CD2 4.3Å; I12-F14 HydrophobicContact CB-CE2 3.79Å; I12-F14 HydrophobicContact CB-CZ 4.13Å; I12-F14 HydrophobicContact CD1-CZ 4.29Å; I12-F14 HydrophobicContact CG2-CD1 4.2Å; I12-F14 HydrophobicContact CG2-CD2 3.86Å; I12-F14 HydrophobicContact CG2-CE1 3.92Å; I12-F14 HydrophobicContact CG2-CE2 3.56Å; I12-F14 HydrophobicContact CG2-CG 4.18Å; I12-F14 HydrophobicContact CG2-CZ 3.59Å
13	N	32.1	Very low	36.6	Very low	85 Å²	85	98.9 Å²	98.9	46%	0.455	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	109.3	166.2	-170.4	-52.3	0	0	0	107	K15	N13-K15 PolarHBondContact O-N 2.92Å
14	F	30.3	Very low	36.6	Very low	99 Å²	99	99.1 Å²	99.1	43%	0.434	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	113.9	173.8	-71	-84.5	0	0	0	108.5	I5 I12	I5-F14 PolarHBondContact O-N 3.14Å; I12-F14 HydrophobicContact CB-CD2 4.3Å; I12-F14 HydrophobicContact CB-CE2 3.79Å; I12-F14 HydrophobicContact CB-CZ 4.13Å; I12-F14 HydrophobicContact CD1-CZ 4.29Å; I12-F14 HydrophobicContact CG2-CD1 4.2Å; I12-F14 HydrophobicContact CG2-CD2 3.86Å; I12-F14 HydrophobicContact CG2-CE1 3.92Å; I12-F14 HydrophobicContact CG2-CE2 3.56Å; I12-F14 HydrophobicContact CG2-CG 4.18Å; I12-F14 HydrophobicContact CG2-CZ 3.59Å
15	K	33.9	Very low	36.8	Very low	187 Å²	187	99.9 Å²	99.9	81%	0.813	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.9	163.5	-62.5	-175.2	-179.2	-172.9	0	107	N13	N13-K15 PolarHBondContact O-N 2.92Å
16	T	33.5	Very low	36.8	Very low	68 Å²	68	101.1 Å²	101.1	42%	0.417	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.1	175.8	56.4	0	0	0	0	109.2
17	E	37.4	Very low	36.7	Very low	188 Å²	188	102.6 Å²	102.6	88%	0.879	55%	0.547	S	S	*	.			trans	-93.6	5.2	176.8	-66.3	-169.8	171.7	0	0	113.1
18	E	35.3	Very low	36.6	Very low	159 Å²	159	109.1 Å²	109.1	74%	0.743	57%	0.574	S	S	*	*	S	Bend	trans	-115.4	138.6	-179.7	-65	-170.4	153.1	0	0	111.8	V20	E18-V20 PolarHBondContact O-N 3.05Å; E18-V20 VanDerWaalsContact O-N 3.13Å
19	P	39.7	Very low	36.3	Very low	116 Å²	116	112.3 Å²	112.3	75%	0.753	60%	0.597	S	S	*	*			trans	-66.8	110	173.3	27	-30.4	0	0	0	109.4	E21	P19-E21 PolarHBondContact O-N 3.1Å
20	V	40.3	Very low	36.3	Very low	97 Å²	97	116.6 Å²	116.6	59%	0.588	63%	0.627	S	S	*	*			trans	-79	101.1	171.8	-168.1	0	0	0	0	108.2	E18 L22	E18-V20 PolarHBondContact O-N 3.05Å; E18-V20 VanDerWaalsContact O-N 3.13Å; V20-L22 HydrophobicContact CB-CG 4.43Å; V20-L22 HydrophobicContact CG1-CD1 4.33Å; V20-L22 HydrophobicContact CG1-CD2 3.96Å; V20-L22 HydrophobicContact CG1-CG 3.75Å; V20-L22 PolarHBondContact O-N 3.21Å; V20-L22 VanDerWaalsContact O-N 3.11Å
21	E	38.7	Very low	36.1	Very low	167 Å²	167	125.3 Å²	125.3	78%	0.78	67%	0.666	S	S	*	*			trans	-64.9	99.9	166.2	-66.2	-83.4	131.9	0	0	108.3	P19	P19-E21 PolarHBondContact O-N 3.1Å
22	L	40.4	Very low	36.1	Very low	125 Å²	125	132.4 Å²	132.4	65%	0.654	69%	0.689	S	S	*	*			trans	-99.9	83	179.9	-76.4	165.3	0	0	0	110.3	V20 D24	V20-L22 HydrophobicContact CB-CG 4.43Å; V20-L22 HydrophobicContact CG1-CD1 4.33Å; V20-L22 HydrophobicContact CG1-CD2 3.96Å; V20-L22 HydrophobicContact CG1-CG 3.75Å; V20-L22 PolarHBondContact O-N 3.21Å; V20-L22 VanDerWaalsContact O-N 3.11Å; L22-D24 PolarHBondContact O-N 3.36Å
23	D	38	Very low	36.4	Very low	150 Å²	150	134.5 Å²	134.5	80%	0.802	71%	0.71	S	S	*	*			trans	-86.9	32.9	170.7	-88.9	-28	0	0	0	113.1
24	D	35.4	Very low	36.7	Very low	122 Å²	122	136.7 Å²	136.7	65%	0.652	73%	0.726	S	S	*	*			trans	-104.5	119.6	174.9	-84.1	-44.2	0	0	0	112.2	L22 V26	L22-D24 PolarHBondContact O-N 3.36Å; D24-V26 PolarHBondContact O-N 3.27Å
25	P	37.6	Very low	37	Very low	105 Å²	105	135.8 Å²	135.8	68%	0.682	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	8.1	-173	-9.5	22.5	0	0	0	116.6
26	V	36.6	Very low	37.6	Very low	127 Å²	127	136.6 Å²	136.6	77%	0.77	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-3.3	-170.1	176.6	0	0	0	0	114.1	D24	D24-V26 PolarHBondContact O-N 3.27Å
27	M	37.8	Very low	37.9	Very low	156 Å²	156	139.2 Å²	139.2	77%	0.768	75%	0.747	S	S	*	*			trans	-130.4	36.3	-179.5	-73.4	-69.9	-177.8	0	0	114.1	S29	M27-S29 VanDerWaalsContact C-N 3.33Å; M27-S29 PolarHBondContact O-N 3.38Å
28	K	33.6	Very low	38.5	Very low	178 Å²	178	134.3 Å²	134.3	77%	0.774	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	62.8	172	-68.5	-177.8	179.8	178.8	0	111.4
29	S	36.7	Very low	39.1	Very low	105 Å²	105	131.7 Å²	131.7	73%	0.734	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.2	-2.4	167.4	62.9	0	0	0	0	117	M27	M27-S29 VanDerWaalsContact C-N 3.33Å; M27-S29 PolarHBondContact O-N 3.38Å
30	S	37.7	Very low	39.8	Very low	101 Å²	101	128.9 Å²	128.9	71%	0.706	70%	0.701	S	S	*	*			trans	-110.5	10.9	-175.4	-63.4	0	0	0	0	116	K32	S30-K32 PolarHBondContact O-N 3.1Å
31	Q	33.8	Very low	40.5	Very low	196 Å²	196	126.4 Å²	126.4	92%	0.916	69%	0.686	S	S	*	*			trans	-82.3	65.5	167.1	-67.4	-164.9	-15.6	0	0	111.1
32	K	39.5	Very low	41.3	Very low	179 Å²	179	121.3 Å²	121.3	78%	0.778	67%	0.667	S	S	*	*			trans	-116.2	116.9	155.6	-85.9	-177.8	177.8	179.9	0	106.6	S30 V34	S30-K32 PolarHBondContact O-N 3.1Å; K32-V34 PolarHBondContact O-N 3.18Å
33	S	37.1	Very low	41.8	Very low	115 Å²	115	118.3 Å²	118.3	80%	0.804	65%	0.65	S	S	*	*			trans	-44.1	106	162.2	48.7	0	0	0	0	108.5	S35	S33-S35 VanDerWaalsContact C-N 3.33Å; S33-S35 PolarHBondContact O-N 3.11Å
34	V	36.9	Very low	42.5	Very low	130 Å²	130	119.8 Å²	119.8	79%	0.788	65%	0.649	S	S	*	*			trans	-74.2	97.6	172.3	-178.1	0	0	0	0	105.5	K32 K36	K32-V34 PolarHBondContact O-N 3.18Å; V34-K36 PolarHBondContact O-N 2.54Å
35	S	37.8	Very low	43.4	Very low	81 Å²	81	118.8 Å²	118.8	57%	0.566	64%	0.644	S	S	*	*			trans	-49.5	133.6	162.9	-58.1	0	0	0	0	108	S33 D37	S33-S35 VanDerWaalsContact C-N 3.33Å; S33-S35 PolarHBondContact O-N 3.11Å; S35-D37 WeakPolarHBondContact CB-OD2 3.4Å; S35-D37 PolarHBondContact O-N 2.66Å
36	K	45.8	Very low	44	Very low	203 Å²	203	114.5 Å²	114.5	88%	0.883	62%	0.615	S	S	*	*	S	Bend	trans	-70.2	29.5	-176.6	-68.1	177.7	176.6	174.6	0	113.5	V34 V38	V34-K36 PolarHBondContact O-N 2.54Å; K36-V38 PolarHBondContact O-N 3.09Å; K36-V38 VanDerWaalsContact O-N 3.14Å
37	D	40.2	Very low	44.6	Very low	123 Å²	123	116.2 Å²	116.2	66%	0.658	61%	0.612	S	S	*	*			trans	-87.6	88.2	-179.7	-57.2	-43.1	0	0	0	107.7	S35 N39	S35-D37 WeakPolarHBondContact CB-OD2 3.4Å; S35-D37 PolarHBondContact O-N 2.66Å; D37-N39 PolarHBondContact O-N 2.92Å; D37-N39 VanDerWaalsContact O-N 3.1Å
38	V	48.8	Very low	44.9	Very low	86 Å²	86	114.1 Å²	114.1	52%	0.521	61%	0.608	S	S	.	*			trans	-56.3	115.1	169	178.9	0	0	0	0	107.2	K36 V40 N158	K36-V38 PolarHBondContact O-N 3.09Å; K36-V38 VanDerWaalsContact O-N 3.14Å; V38-V40 VanDerWaalsContact C-N 3.3Å; V38-V40 HydrophobicContact CB-CG2 4.39Å; V38-V40 HydrophobicContact CG1-CG2 3.79Å; V38-V40 PolarHBondContact O-N 2.9Å; V38-N158 WeakPolarHBondContact CG1-ND2 3.12Å
39	N	49.7	Very low	45.1	Very low	104 Å²	104	112.7 Å²	112.7	56%	0.556	60%	0.604	S	S	*	*			trans	-76.2	86.7	175.9	-78.6	-51.8	0	0	0	109	D37 I157	D37-N39 PolarHBondContact O-N 2.92Å; D37-N39 VanDerWaalsContact O-N 3.1Å; N39-I157 HydrophobicContact CB-CG1 4.43Å
40	V	53.4	Low	44.9	Very low	57 Å²	57	116.1 Å²	116.1	35%	0.345	61%	0.614	S	S	.	*	B	Isolated β-bridge	trans	-79.6	121	174	-179.6	0	0	0	0	109	V38 P42 Q160	V38-V40 VanDerWaalsContact C-N 3.3Å; V38-V40 HydrophobicContact CB-CG2 4.39Å; V38-V40 HydrophobicContact CG1-CG2 3.79Å; V38-V40 PolarHBondContact O-N 2.9Å; V40-P42 WeakPolarHBondContact O-CD 3.34Å; V40-Q160 HydrophobicContact CG1-CB 3.61Å
41	V	54.7	Low	45.2	Very low	44 Å²	44	117.8 Å²	117.8	27%	0.267	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-83.5	116.4	171	-176.6	0	0	0	0	109.3	N158 Y159	V41-N158 PolarHBondContact N-O 3.25Å; V41-Y159 HydrophobicContact CB-CD1 3.8Å; V41-Y159 HydrophobicContact CB-CE1 3.78Å; V41-Y159 HydrophobicContact CG1-CD1 4.25Å; V41-Y159 HydrophobicContact CG1-CE1 3.98Å; V41-Y159 HydrophobicContact CG2-CD1 4.32Å; V41-Y159 HydrophobicContact CG2-CE1 3.93Å
42	P	55.7	Low	45.7	Very low	60 Å²	60	116.5 Å²	116.5	39%	0.39	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-65.3	146.8	-178	-20.7	33.3	0	0	0	113.6	V40 K44 D45	V40-P42 WeakPolarHBondContact O-CD 3.34Å; P42-K44 HydrophobicContact CB-CG 3.98Å; P42-K44 PolarHBondContact O-N 3.17Å; P42-K44 VanDerWaalsContact O-N 3.11Å; P42-D45 PolarHBondContact O-N 2.97Å; P42-D45 VanDerWaalsContact O-N 3.1Å
43	E	50.4	Low	46	Very low	63 Å²	63	110.2 Å²	110.2	29%	0.294	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-54.7	-32.7	-179.7	-68.4	-172.1	149.7	0	0	113.9	D45 I46 G162 I178	E43-D45 PolarHBondContact O-N 2.85Å; E43-I46 VanDerWaalsContact O-CB 3.24Å; E43-I46 WeakPolarHBondContact O-CB 2.91Å; E43-I46 WeakPolarHBondContact O-CG1 3.09Å; E43-I46 PolarHBondContact O-N 3.16Å; E43-I46 VanDerWaalsContact O-N 3.13Å; E43-G162 PolarHBondContact OE1-N 3.47Å; E43-I178 WeakPolarHBondContact OE1-CD1 3.42Å
44	K	53.8	Low	46.4	Very low	180 Å²	180	106.8 Å²	106.8	78%	0.783	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-64.2	-19.2	-179.2	61.4	178.4	-178.2	-179.4	0	114.5	P42 I46	P42-K44 HydrophobicContact CB-CG 3.98Å; P42-K44 PolarHBondContact O-N 3.17Å; P42-K44 VanDerWaalsContact O-N 3.11Å; K44-I46 VanDerWaalsContact C-N 3.3Å
45	D	53.3	Low	46.5	Very low	101 Å²	101	105 Å²	105	54%	0.54	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-92.1	3.9	-179.6	-58.9	-46.1	0	0	0	112.1	P42 E43 K47	P42-D45 PolarHBondContact O-N 2.97Å; P42-D45 VanDerWaalsContact O-N 3.1Å; E43-D45 PolarHBondContact O-N 2.85Å; D45-K47 PolarHBondContact O-N 3.37Å
46	I	51.4	Low	46.6	Very low	16 Å²	16	104 Å²	104	8%	0.082	54%	0.538	C	S	.	.			trans	-92.6	87.9	-177.7	-59	-179.7	0	0	0	109.5	E43 K44 V48 K171 L174 L175	E43-I46 VanDerWaalsContact O-CB 3.24Å; E43-I46 WeakPolarHBondContact O-CB 2.91Å; E43-I46 WeakPolarHBondContact O-CG1 3.09Å; E43-I46 PolarHBondContact O-N 3.16Å; E43-I46 VanDerWaalsContact O-N 3.13Å; K44-I46 VanDerWaalsContact C-N 3.3Å; I46-V48 PolarHBondContact O-N 2.92Å; I46-K171 VanDerWaalsContact CA-CE 3.48Å; I46-K171 HydrophobicContact CD1-CG 4.45Å; I46-K171 HydrophobicContact CG1-CG 4.33Å; I46-K171 HydrophobicContact CG2-CD 4.1Å; I46-K171 HydrophobicContact CG2-CG 3.91Å; I46-L174 HydrophobicContact CD1-CD2 3.44Å; I46-L174 VanDerWaalsContact CD1-CD2 3.44Å; I46-L174 HydrophobicContact CD1-CG 4.36Å; I46-L175 HydrophobicContact CG2-CD1 3.79Å; I46-L175 HydrophobicContact CG2-CD2 3.51Å; I46-L175 HydrophobicContact CG2-CG 3.68Å
47	K	48.5	Very low	46.1	Very low	162 Å²	162	98.3 Å²	98.3	70%	0.704	53%	0.529	S	S	*	.			trans	-56.7	123.1	166.6	-64.7	-175.7	-179.9	-176.8	0	110.5	D45 K171	D45-K47 PolarHBondContact O-N 3.37Å; K47-K171 PolarHBondContact O-NZ 2.81Å
48	V	43.6	Very low	45.9	Very low	112 Å²	112	98.3 Å²	98.3	68%	0.679	53%	0.529	S	S	*	.			trans	-92.3	96.1	174.7	-174.1	0	0	0	0	106.7	I46 L175	I46-V48 PolarHBondContact O-N 2.92Å; V48-L175 HydrophobicContact CG2-CD2 4.22Å
49	E	37.7	Very low	45.5	Very low	148 Å²	148	95.2 Å²	95.2	69%	0.692	51%	0.51	S	S	*	.			trans	-104.3	137.5	168.9	-68.8	177	179.8	0	0	106.7	R51	E49-R51 WeakPolarHBondContact O-CG 3.4Å; E49-R51 PolarHBondContact O-N 2.8Å
50	D	33.3	Very low	45.1	Very low	177 Å²	177	94.1 Å²	94.1	95%	0.947	50%	0.504	S	S	*	.			trans	-38.1	87.7	-169.6	-65.8	-47.7	0	0	0	113.9
51	R	43.4	Very low	44.6	Very low	136 Å²	136	93.7 Å²	93.7	51%	0.513	50%	0.5	S	S	.	.			trans	-97.2	117.3	167.5	-73.2	-178.8	-170.4	-165.6	-0.8	106.3	E49 F53	E49-R51 WeakPolarHBondContact O-CG 3.4Å; E49-R51 PolarHBondContact O-N 2.8Å; R51-F53 HydrophobicContact CB-CD2 4.11Å; R51-F53 HydrophobicContact CB-CE1 4.49Å; R51-F53 HydrophobicContact CB-CE2 3.67Å; R51-F53 HydrophobicContact CB-CZ 3.87Å; R51-F53 WeakPolarHBondContact O-CD2 3.47Å; R51-F53 PolarHBondContact O-N 3.25Å
52	N	44.6	Very low	43.9	Very low	169 Å²	169	95.4 Å²	95.4	90%	0.904	51%	0.508	S	S	*	.			trans	-68.2	83.1	169.8	-150.6	-2.1	0	0	0	107	G54	N52-G54 PolarHBondContact O-N 2.87Å
53	F	47.2	Very low	43.2	Very low	47 Å²	47	99.7 Å²	99.7	21%	0.206	52%	0.522	C	S	.	.			trans	-64.9	108.8	170.3	-67.8	-79.5	0	0	0	105.1	R51 L175 Q176	R51-F53 HydrophobicContact CB-CD2 4.11Å; R51-F53 HydrophobicContact CB-CE1 4.49Å; R51-F53 HydrophobicContact CB-CE2 3.67Å; R51-F53 HydrophobicContact CB-CZ 3.87Å; R51-F53 WeakPolarHBondContact O-CD2 3.47Å; R51-F53 PolarHBondContact O-N 3.25Å; F53-L175 HydrophobicContact CE1-CB 4.11Å; F53-L175 HydrophobicContact CE2-CB 4.37Å; F53-L175 HydrophobicContact CZ-CB 3.54Å; F53-L175 HydrophobicContact CZ-CD1 4.16Å; F53-L175 HydrophobicContact CZ-CG 4.48Å; F53-Q176 HydrophobicContact CD1-CB 3.83Å; F53-Q176 HydrophobicContact CD1-CG 4.28Å; F53-Q176 HydrophobicContact CE1-CB 3.9Å
54	G	44.1	Very low	42.9	Very low	44 Å²	44	97 Å²	97	45%	0.454	51%	0.51	S	S	.	.			trans	-51	162.6	176	0	0	0	0	0	111.2	N52	N52-G54 PolarHBondContact O-N 2.87Å
55	N	40	Very low	42.4	Very low	91 Å²	91	89.5 Å²	89.5	49%	0.487	48%	0.483	S	S	.	.			trans	-39.4	127.7	-176.7	-178.5	2.2	0	0	0	112.2	A57 D58	N55-A57 PolarHBondContact O-N 2.98Å; N55-A57 PolarHBondContact OD1-N 3.24Å; N55-D58 HydrophobicContact CB-CB 4.26Å; N55-D58 VanDerWaalsContact CB-OD2 3.27Å; N55-D58 WeakPolarHBondContact CB-OD2 3.4Å; N55-D58 PolarHBondContact ND2-OD2 3Å; N55-D58 PolarHBondContact O-N 3.27Å
56	P	38.4	Very low	42.1	Very low	61 Å²	61	87.5 Å²	87.5	40%	0.396	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-19	176.7	-29.6	35.5	0	0	0	115.4	V59 V180	P56-V59 WeakPolarHBondContact O-CG2 3.47Å; P56-V180 HydrophobicContact CB-CG2 4.14Å
57	A	36.7	Very low	41.7	Very low	83 Å²	83	87.8 Å²	87.8	69%	0.686	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-20.3	174.3	0	0	0	0	0	114	N55	N55-A57 PolarHBondContact O-N 2.98Å; N55-A57 PolarHBondContact OD1-N 3.24Å
58	D	36.5	Very low	41.4	Very low	123 Å²	123	88.5 Å²	88.5	66%	0.658	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-4.8	-175.6	-62.6	-30.6	0	0	0	112.6	N55 N60	N55-D58 HydrophobicContact CB-CB 4.26Å; N55-D58 VanDerWaalsContact CB-OD2 3.27Å; N55-D58 WeakPolarHBondContact CB-OD2 3.4Å; N55-D58 PolarHBondContact ND2-OD2 3Å; N55-D58 PolarHBondContact O-N 3.27Å; D58-N60 PolarHBondContact O-N 2.72Å; D58-N60 VanDerWaalsContact O-N 3.17Å
59	V	38.8	Very low	41.2	Very low	22 Å²	22	86.8 Å²	86.8	13%	0.133	46%	0.459	C	S	.	.			trans	-75.5	105.7	177.7	-75.7	0	0	0	0	110.6	P56 L61 Q176 V180	P56-V59 WeakPolarHBondContact O-CG2 3.47Å; V59-L61 PolarHBondContact O-N 3.25Å; V59-L61 VanDerWaalsContact O-N 3.15Å; V59-Q176 HydrophobicContact CG1-CG 4.09Å; V59-V180 HydrophobicContact CG2-CG2 4.31Å
60	N	41.7	Very low	41.3	Very low	81 Å²	81	83.6 Å²	83.6	43%	0.433	45%	0.447	S	S	.	.			trans	-67.8	112.3	172.8	-168.6	-5.9	0	0	0	109.1	D58 D62 E63	D58-N60 PolarHBondContact O-N 2.72Å; D58-N60 VanDerWaalsContact O-N 3.17Å; N60-D62 PolarHBondContact ND2-OD2 3.07Å; N60-D62 PolarHBondContact O-N 3.47Å; N60-D62 WeakPolarHBondContact OD1-CB 3.41Å; N60-D62 PolarHBondContact OD1-N 3.25Å; N60-D62 PolarHBondContact OD1-OD1 2.85Å; N60-D62 PolarHBondContact OD1-OD2 3.41Å; N60-E63 VanDerWaalsContact O-CB 3.3Å; N60-E63 WeakPolarHBondContact O-CB 3.43Å; N60-E63 PolarHBondContact O-N 2.78Å
61	L	42.5	Very low	41.4	Very low	48 Å²	48	83.1 Å²	83.1	25%	0.251	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-21.1	177.5	-93.8	76.2	0	0	0	112.8	V59 E63 L64 F79 F117	V59-L61 PolarHBondContact O-N 3.25Å; V59-L61 VanDerWaalsContact O-N 3.15Å; L61-E63 PolarHBondContact O-N 2.81Å; L61-L64 HydrophobicContact CG-CD1 4.38Å; L61-L64 PolarHBondContact O-N 2.88Å; L61-F79 HydrophobicContact CD2-CD1 4.16Å; L61-F79 HydrophobicContact CD2-CE1 3.21Å; L61-F79 HydrophobicContact CD2-CE2 4.42Å; L61-F79 HydrophobicContact CD2-CZ 3.39Å; L61-F117 HydrophobicContact CB-CZ 4.2Å
62	D	40.4	Very low	41.4	Very low	80 Å²	80	79.6 Å²	79.6	43%	0.428	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.7	173.8	-49.5	-20	0	0	0	112.3	N60	N60-D62 PolarHBondContact ND2-OD2 3.07Å; N60-D62 PolarHBondContact O-N 3.47Å; N60-D62 WeakPolarHBondContact OD1-CB 3.41Å; N60-D62 PolarHBondContact OD1-N 3.25Å; N60-D62 PolarHBondContact OD1-OD1 2.85Å; N60-D62 PolarHBondContact OD1-OD2 3.41Å
63	E	42	Very low	41.1	Very low	149 Å²	149	76.4 Å²	76.4	70%	0.696	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-14.9	-177.7	-147.8	173.9	-163.1	0	0	112.3	N60 L61 G65 N173	N60-E63 VanDerWaalsContact O-CB 3.3Å; N60-E63 WeakPolarHBondContact O-CB 3.43Å; N60-E63 PolarHBondContact O-N 2.78Å; L61-E63 PolarHBondContact O-N 2.81Å; E63-G65 PolarHBondContact O-N 3.33Å; E63-N173 PolarHBondContact O-ND2 2.8Å
64	L	42.8	Very low	40.9	Very low	7 Å²	7	78.6 Å²	78.6	4%	0.037	44%	0.44	C	S	.	.	S	Bend	trans	-70.6	18.6	175.4	-79.3	-179.8	0	0	0	113.9	L61 I66 N173 Q176	L61-L64 HydrophobicContact CG-CD1 4.38Å; L61-L64 PolarHBondContact O-N 2.88Å; L64-I66 PolarHBondContact O-N 3.25Å; L64-N173 VanDerWaalsContact CA-ND2 3.28Å; L64-N173 WeakPolarHBondContact CA-ND2 3.3Å; L64-N173 HydrophobicContact CD2-CB 3.7Å; L64-N173 WeakPolarHBondContact CD2-O 3.35Å; L64-N173 PolarHBondContact O-ND2 2.91Å; L64-Q176 HydrophobicContact CD2-CB 3.87Å; L64-Q176 HydrophobicContact CD2-CG 3.93Å
65	G	44.4	Very low	40.9	Very low	22 Å²	22	79.7 Å²	79.7	23%	0.227	44%	0.435	C	S	.	.			trans	42.8	40.2	158.8	0	0	0	0	0	113.5	E63 I67 A169 N173	E63-G65 PolarHBondContact O-N 3.33Å; G65-I67 PolarHBondContact O-N 2.89Å; G65-A169 WeakPolarHBondContact O-CA 3.38Å; G65-A169 WeakPolarHBondContact O-CB 3.26Å; G65-A169 PolarHBondContact O-N 3.23Å; G65-N173 VanDerWaalsContact CA-ND2 3.27Å; G65-N173 WeakPolarHBondContact CA-ND2 3.43Å; G65-N173 PolarHBondContact N-ND2 2.82Å
66	I	45.7	Very low	41.1	Very low	60 Å²	60	78.2 Å²	78.2	31%	0.308	43%	0.425	S	S	.	.	B	Isolated β-bridge	trans	-62.8	115.1	175.9	-61.5	174.8	0	0	0	103.5	L64 R68 L75	L64-I66 PolarHBondContact O-N 3.25Å; I66-R68 PolarHBondContact O-N 2.88Å; I66-L75 HydrophobicContact CD1-CD1 4.42Å; I66-L75 HydrophobicContact CG2-CD1 4.31Å
67	I	44.4	Very low	41.5	Very low	22 Å²	22	81.2 Å²	81.2	11%	0.113	43%	0.434	C	S	.	.			trans	-58.7	117	175.2	-58.4	173.2	0	0	0	104.4	G65 D69 T152 N158 A169	G65-I67 PolarHBondContact O-N 2.89Å; I67-D69 WeakPolarHBondContact CG2-OD1 3.43Å; I67-D69 PolarHBondContact O-N 2.91Å; I67-T152 HydrophobicContact CD1-CG2 3.47Å; I67-T152 VanDerWaalsContact CD1-CG2 3.47Å; I67-T152 HydrophobicContact CG1-CG2 3.65Å; I67-N158 HydrophobicContact CD1-CB 3.16Å; I67-A169 HydrophobicContact CD1-CB 4.38Å; I67-A169 VanDerWaalsContact CG1-CA 3.4Å; I67-A169 HydrophobicContact CG1-CB 3.63Å
68	R	41.1	Very low	41.9	Very low	176 Å²	176	79.9 Å²	79.9	66%	0.664	42%	0.42	S	S	*	.			trans	-72.4	84.3	172.4	-68.2	-178.1	-168.3	167.4	2.5	106	I66 N70	I66-R68 PolarHBondContact O-N 2.88Å; R68-N70 PolarHBondContact O-N 3.12Å
69	D	39.5	Very low	42.5	Very low	77 Å²	77	75 Å²	75	41%	0.412	39%	0.393	S	S	.	.			trans	-55.8	125.7	157.6	-52.9	-17	0	0	0	104.6	I67 Q71 S72	I67-D69 WeakPolarHBondContact CG2-OD1 3.43Å; I67-D69 PolarHBondContact O-N 2.91Å; D69-Q71 PolarHBondContact O-N 3.48Å; D69-S72 PolarHBondContact O-N 3.13Å; D69-S72 PolarHBondContact O-OG 3.22Å
70	N	39.1	Very low	43.2	Very low	81 Å²	81	77.4 Å²	77.4	43%	0.433	40%	0.401	S	S	.	.	S	Bend	trans	-65.2	17.2	-177.3	-132.9	-34.5	0	0	0	113.5	G11 R68 S72	G11-N70 VanDerWaalsContact CA-CG 3.41Å; G11-N70 WeakPolarHBondContact CA-ND2 3.43Å; G11-N70 PolarHBondContact N-ND2 3.13Å; G11-N70 VanDerWaalsContact N-ND2 3.16Å; R68-N70 PolarHBondContact O-N 3.12Å; N70-S72 VanDerWaalsContact C-N 3.26Å
71	Q	36.9	Very low	43.9	Very low	166 Å²	166	77.7 Å²	77.7	78%	0.776	40%	0.4	S	S	*	.			trans	-93.9	25.3	167.6	-56.5	-173.1	22.1	0	0	111.1	D69 S73	D69-Q71 PolarHBondContact O-N 3.48Å; Q71-S73 PolarHBondContact O-N 3.34Å
72	S	41.5	Very low	44.6	Very low	62 Å²	62	82.3 Å²	82.3	43%	0.434	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	23.6	-175	17.3	0	0	0	0	116.9	D69 N70 N74	D69-S72 PolarHBondContact O-N 3.13Å; D69-S72 PolarHBondContact O-OG 3.22Å; N70-S72 VanDerWaalsContact C-N 3.26Å; S72-N74 PolarHBondContact O-N 2.7Å
73	S	38.9	Very low	45.3	Very low	103 Å²	103	79.4 Å²	79.4	72%	0.72	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-9.2	159.3	55.9	0	0	0	0	112.6	Q71	Q71-S73 PolarHBondContact O-N 3.34Å
74	N	43.8	Very low	45.9	Very low	92 Å²	92	79.7 Å²	79.7	49%	0.492	41%	0.412	S	S	.	.	S	Bend	trans	-105.4	-3.4	-174.1	-133.1	-80.8	0	0	0	115.8	S72 E77 S78	S72-N74 PolarHBondContact O-N 2.7Å; N74-E77 VanDerWaalsContact CG-OE2 3.25Å; N74-E77 PolarHBondContact ND2-OE2 3.46Å; N74-E77 PolarHBondContact OD1-OE2 3.44Å; N74-S78 PolarHBondContact O-N 3Å; N74-S78 PolarHBondContact O-OG 3.45Å
75	L	43.1	Very low	46.5	Very low	68 Å²	68	82.9 Å²	82.9	36%	0.356	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-30.9	179.3	-160.3	78.4	0	0	0	112.2	I66 E77	I66-L75 HydrophobicContact CD1-CD1 4.42Å; I66-L75 HydrophobicContact CG2-CD1 4.31Å; L75-E77 VanDerWaalsContact C-N 3.34Å
76	E	44.1	Very low	46.8	Very low	59 Å²	59	88.7 Å²	88.7	28%	0.276	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-42.7	172.1	-63.8	-157.8	139.3	0	0	110.4	S78 F79 K80 H121 V125	E76-S78 VanDerWaalsContact C-N 3.27Å; E76-S78 PolarHBondContact O-N 3.46Å; E76-F79 PolarHBondContact O-N 2.93Å; E76-K80 WeakPolarHBondContact O-CA 3.43Å; E76-K80 WeakPolarHBondContact O-CB 3.46Å; E76-K80 PolarHBondContact O-N 3.4Å; E76-H121 WeakPolarHBondContact OE1-CA 3.24Å; E76-H121 IonicContact OE1-CG 3.86Å; E76-H121 IonicContact OE1-ND1 3.88Å; E76-H121 PolarHBondContact OE1-ND1 3.24Å; E76-H121 IonicContact OE2-ND1 2.69Å; E76-V125 VanDerWaalsContact CD-CG2 3.44Å; E76-V125 WeakPolarHBondContact OE1-CG2 3.34Å; E76-V125 WeakPolarHBondContact OE2-CG2 3.3Å
77	E	47.1	Very low	46.9	Very low	124 Å²	124	94.2 Å²	94.2	58%	0.579	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-31.3	-178	-62.9	-172.9	151.5	0	0	113.2	N74 L75 F79	N74-E77 VanDerWaalsContact CG-OE2 3.25Å; N74-E77 PolarHBondContact ND2-OE2 3.46Å; N74-E77 PolarHBondContact OD1-OE2 3.44Å; L75-E77 VanDerWaalsContact C-N 3.34Å; E77-F79 VanDerWaalsContact C-N 3.28Å; E77-F79 PolarHBondContact O-N 2.74Å
78	S	46	Very low	46.9	Very low	56 Å²	56	97.6 Å²	97.6	39%	0.392	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-21.2	-177.7	-63.5	0	0	0	0	114.5	N74 E76	N74-S78 PolarHBondContact O-N 3Å; N74-S78 PolarHBondContact O-OG 3.45Å; E76-S78 VanDerWaalsContact C-N 3.27Å; E76-S78 PolarHBondContact O-N 3.46Å
79	F	48.4	Very low	47.2	Very low	21 Å²	21	93.2 Å²	93.2	9%	0.092	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.6	-8.9	-176.3	-60.3	-74.2	0	0	0	113.5	L61 E76 E77 H81	L61-F79 HydrophobicContact CD2-CD1 4.16Å; L61-F79 HydrophobicContact CD2-CE1 3.21Å; L61-F79 HydrophobicContact CD2-CE2 4.42Å; L61-F79 HydrophobicContact CD2-CZ 3.39Å; E76-F79 PolarHBondContact O-N 2.93Å; E77-F79 VanDerWaalsContact C-N 3.28Å; E77-F79 PolarHBondContact O-N 2.74Å; F79-H81 PolarHBondContact O-N 2.98Å; F79-H81 PolarHBondContact O-ND1 2.96Å; F79-H81 VanDerWaalsContact O-ND1 3.17Å
80	K	53.2	Low	47.4	Very low	71 Å²	71	91.5 Å²	91.5	31%	0.309	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-68	118.9	171.2	178.9	-170.9	-175.4	-142.9	0	108.7	E76 E82 S110 Y112	E76-K80 WeakPolarHBondContact O-CA 3.43Å; E76-K80 WeakPolarHBondContact O-CB 3.46Å; E76-K80 PolarHBondContact O-N 3.4Å; K80-E82 IonicContact NZ-OE1 3.28Å; K80-E82 PolarHBondContact NZ-OE1 2.98Å; K80-S110 WeakPolarHBondContact CE-OG 3.23Å; K80-Y112 HydrophobicContact CB-CE1 4.46Å
81	H	57.7	Low	47.6	Very low	88 Å²	88	93.9 Å²	93.9	41%	0.407	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129.1	161.9	-65.8	66.7	0	0	0	106.8	F79 L102 C111	F79-H81 PolarHBondContact O-N 2.98Å; F79-H81 PolarHBondContact O-ND1 2.96Å; F79-H81 VanDerWaalsContact O-ND1 3.17Å; H81-L102 HydrophobicContact CB-CD1 4.5Å; H81-C111 HydrophobicContact CB-CB 4.21Å; H81-C111 PolarHBondContact N-O 3.01Å; H81-C111 WeakPolarHBondContact O-CB 3.35Å; H81-C111 PolarHBondContact O-N 3.04Å
82	E	55.5	Low	48.4	Very low	145 Å²	145	92.3 Å²	92.3	68%	0.678	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.8	167.9	-60.5	-165.3	155.1	0	0	107.6	K80	K80-E82 IonicContact NZ-OE1 3.28Å; K80-E82 PolarHBondContact NZ-OE1 2.98Å
83	C	56.2	Low	49.2	Very low	19 Å²	19	93.4 Å²	93.4	13%	0.128	52%	0.524	C	S	.	.			trans	-113.1	117.3	-178.7	45.5	0	0	0	0	109.8	S85 H109 C111	C83-S85 PolarHBondContact O-N 3.02Å; C83-H109 PolarHBondContact N-O 2.85Å; C83-H109 PolarHBondContact SG-O 3.33Å; C83-H109 VanDerWaalsContact SG-O 3.35Å; C83-C111 HydrophobicContact CB-CB 4Å; C83-C111 WeakPolarHBondContact CB-SG 3.26Å; C83-C111 WeakPolarHBondContact SG-CB 3.4Å; C83-C111 CovalentContact SG-SG 2.07Å; C83-C111 PolarHBondContact SG-SG 3.14Å
84	D	54.9	Low	50.1	Low	155 Å²	155	92.3 Å²	92.3	83%	0.829	51%	0.51	S	S	*	.			trans	-72.6	17.4	-174.3	-62.8	-51.8	0	0	0	114.9	D86	D84-D86 PolarHBondContact O-N 3.32Å
85	S	54.1	Low	50.8	Low	74 Å²	74	89.9 Å²	89.9	52%	0.517	50%	0.498	S	S	.	.			trans	-94.2	97.6	-176.4	-67.9	0	0	0	0	111.7	C83 K87 K104	C83-S85 PolarHBondContact O-N 3.02Å; S85-K87 PolarHBondContact O-N 2.82Å; S85-K104 PolarHBondContact O-NZ 3.45Å
86	D	51.2	Low	51.5	Low	144 Å²	144	91.6 Å²	91.6	77%	0.77	51%	0.512	S	S	*	.			trans	-64	36.9	175.6	-73	-42.1	0	0	0	115.6	D84 H109	D84-D86 PolarHBondContact O-N 3.32Å; D86-H109 IonicContact OD1-CE1 3.85Å
87	K	48.8	Very low	52	Low	176 Å²	176	92.8 Å²	92.8	77%	0.765	52%	0.52	S	S	*	.			trans	-106.2	118	173	-74.4	-175.3	179.2	-179.3	0	111.7	S85 K104	S85-K87 PolarHBondContact O-N 2.82Å; K87-K104 PolarHBondContact O-NZ 3.37Å
88	A	44.9	Very low	52.5	Low	93 Å²	93	97.1 Å²	97.1	77%	0.769	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-65.8	156.9	170.7	0	0	0	0	0	111.6
89	P	45.5	Very low	53	Low	84 Å²	84	104 Å²	104	55%	0.545	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-97.7	138.1	-137.7	34.2	-32.7	0	0	0	115.2
90	G	45.7	Very low	53.5	Low	41 Å²	41	111.3 Å²	111.3	42%	0.423	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-97.4	151.3	151.7	0	0	0	0	0	109.5	D92 D93	G90-D92 PolarHBondContact O-N 3.48Å; G90-D93 PolarHBondContact N-OD2 3.05Å
91	V	42.6	Very low	54.1	Low	131 Å²	131	114.7 Å²	114.7	79%	0.794	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.1	128.2	175.6	-70.6	0	0	0	0	110.4
92	D	53.1	Low	54.6	Low	133 Å²	133	110.9 Å²	110.9	71%	0.711	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	75.9	32.3	165.3	-35.9	-37.6	0	0	0	117.7	G90 L94	G90-D92 PolarHBondContact O-N 3.48Å; D92-L94 PolarHBondContact O-N 3.14Å
93	D	57.9	Low	55.3	Low	84 Å²	84	106.4 Å²	106.4	45%	0.449	56%	0.559	S	S	.	*			trans	-68.4	92.4	180	-71.4	-30.1	0	0	0	112.6	G90 V95	G90-D93 PolarHBondContact N-OD2 3.05Å; D93-V95 PolarHBondContact O-N 3.34Å
94	L	58.4	Low	56.2	Low	81 Å²	81	107.5 Å²	107.5	42%	0.424	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-62.4	105.7	163.5	-128.2	98	0	0	0	108.4	D92 K101 L102 F103	D92-L94 PolarHBondContact O-N 3.14Å; L94-K101 HydrophobicContact CD2-CB 3.62Å; L94-K101 HydrophobicContact CD2-CD 3.45Å; L94-K101 VanDerWaalsContact CD2-CD 3.45Å; L94-K101 HydrophobicContact CD2-CG 3.47Å; L94-K101 VanDerWaalsContact CD2-CG 3.47Å; L94-K101 HydrophobicContact CG-CB 4.23Å; L94-L102 CarbonylContact C-O 3.48Å; L94-L102 WeakPolarHBondContact CA-O 3.49Å; L94-F103 HydrophobicContact CD1-CD1 4.3Å; L94-F103 HydrophobicContact CD1-CE1 3.69Å; L94-F103 HydrophobicContact CD1-CZ 4.05Å
95	V	58.8	Low	57	Low	40 Å²	40	100.2 Å²	100.2	24%	0.242	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.6	176.7	-179.6	0	0	0	0	108.7	D93 L102 K104	D93-V95 PolarHBondContact O-N 3.34Å; V95-L102 HydrophobicContact CB-CB 4.33Å; V95-L102 PolarHBondContact N-O 2.97Å; V95-L102 WeakPolarHBondContact O-CA 3.31Å; V95-L102 WeakPolarHBondContact O-CB 3.07Å; V95-L102 PolarHBondContact O-N 3.46Å; V95-K104 HydrophobicContact CG2-CB 3.97Å; V95-K104 HydrophobicContact CG2-CD 4.34Å
96	T	57.8	Low	58.1	Low	105 Å²	105	100.5 Å²	100.5	64%	0.644	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	112.7	172.5	54.3	0	0	0	0	109.9	R100 K101	T96-R100 WeakPolarHBondContact CA-O 3.33Å; T96-K101 HydrophobicContact CG2-CG 4.48Å
97	D	53.4	Low	59.2	Low	83 Å²	83	98.1 Å²	98.1	44%	0.444	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	122.9	165.6	-176.4	37.7	0	0	0	109	E99 R100 L102	D97-E99 PolarHBondContact O-N 3.48Å; D97-R100 PolarHBondContact N-O 3.23Å; D97-R100 VanDerWaalsContact N-O 3.09Å; D97-R100 PolarHBondContact O-N 3.18Å; D97-L102 HydrophobicContact CB-CD1 4.18Å
98	R	57.7	Low	60.5	Low	215 Å²	215	91.5 Å²	91.5	81%	0.811	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.7	54.9	178.2	-57.5	178.3	-158.6	-146.2	2.9	114.1	R100	R98-R100 VanDerWaalsContact C-N 3.28Å; R98-R100 PolarHBondContact O-N 3.42Å
99	E	57.4	Low	61.8	Low	200 Å²	200	92.3 Å²	92.3	94%	0.935	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	3.8	-179.2	-54.3	-179.4	160.8	0	0	116.6	D97	D97-E99 PolarHBondContact O-N 3.48Å
100	R	57.8	Low	62.9	Low	176 Å²	176	88.7 Å²	88.7	66%	0.664	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	128.6	175.6	-66	-167.3	170.7	88.7	2.2	112.1	T96 D97 R98 L102	T96-R100 WeakPolarHBondContact CA-O 3.33Å; D97-R100 PolarHBondContact N-O 3.23Å; D97-R100 VanDerWaalsContact N-O 3.09Å; D97-R100 PolarHBondContact O-N 3.18Å; R98-R100 VanDerWaalsContact C-N 3.28Å; R98-R100 PolarHBondContact O-N 3.42Å; R100-L102 PolarHBondContact O-N 2.85Å
101	K	65.8	Low	64.1	Low	142 Å²	142	86.8 Å²	86.8	62%	0.617	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	114.4	173.2	-68.5	174.1	156.4	-176.4	0	109.4	L94 T96	L94-K101 HydrophobicContact CD2-CB 3.62Å; L94-K101 HydrophobicContact CD2-CD 3.45Å; L94-K101 VanDerWaalsContact CD2-CD 3.45Å; L94-K101 HydrophobicContact CD2-CG 3.47Å; L94-K101 VanDerWaalsContact CD2-CG 3.47Å; L94-K101 HydrophobicContact CG-CB 4.23Å; T96-K101 HydrophobicContact CG2-CG 4.48Å
102	L	69.1	Low	65.2	Low	7 Å²	7	80.7 Å²	80.7	4%	0.037	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	150.7	178.2	-57	178.3	0	0	0	110.5	H81 L94 V95 D97 R100 C111 Y112 T113	H81-L102 HydrophobicContact CB-CD1 4.5Å; L94-L102 CarbonylContact C-O 3.48Å; L94-L102 WeakPolarHBondContact CA-O 3.49Å; V95-L102 HydrophobicContact CB-CB 4.33Å; V95-L102 PolarHBondContact N-O 2.97Å; V95-L102 WeakPolarHBondContact O-CA 3.31Å; V95-L102 WeakPolarHBondContact O-CB 3.07Å; V95-L102 PolarHBondContact O-N 3.46Å; D97-L102 HydrophobicContact CB-CD1 4.18Å; R100-L102 PolarHBondContact O-N 2.85Å; L102-C111 HydrophobicContact CB-CB 4.44Å; L102-C111 HydrophobicContact CD1-CB 4.31Å; L102-Y112 CarbonylContact C-O 3.54Å; L102-Y112 VanDerWaalsContact CA-O 3.24Å; L102-Y112 WeakPolarHBondContact CA-O 2.95Å; L102-T113 HydrophobicContact CD2-CG2 3.68Å
103	F	71.2	Confident	65.8	Low	51 Å²	51	77.2 Å²	77.2	22%	0.224	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	112.6	176.3	-64.8	-88.8	0	0	0	108.7	L94 Y112 K115 L118	L94-F103 HydrophobicContact CD1-CD1 4.3Å; L94-F103 HydrophobicContact CD1-CE1 3.69Å; L94-F103 HydrophobicContact CD1-CZ 4.05Å; F103-Y112 PolarHBondContact N-O 3.44Å; F103-Y112 PolarHBondContact O-N 2.69Å; F103-K115 HydrophobicContact CD1-CB 3.93Å; F103-K115 HydrophobicContact CD1-CG 4.21Å; F103-K115 HydrophobicContact CD2-CB 4.36Å; F103-K115 HydrophobicContact CE1-CB 3.76Å; F103-K115 HydrophobicContact CE1-CD 4.23Å; F103-K115 HydrophobicContact CE1-CG 4.2Å; F103-K115 HydrophobicContact CE2-CB 4.2Å; F103-K115 VanDerWaalsContact CE2-N 3.33Å; F103-K115 HydrophobicContact CG-CB 4.22Å; F103-K115 HydrophobicContact CZ-CB 3.89Å; F103-L118 HydrophobicContact CB-CB 4.09Å; F103-L118 HydrophobicContact CB-CD2 3.79Å
104	K	73.2	Confident	66.2	Low	43 Å²	43	74.9 Å²	74.9	19%	0.187	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	139.8	-179.4	-174.1	179.5	178.9	-176.6	0	111.3	S85 K87 V95 L118	S85-K104 PolarHBondContact O-NZ 3.45Å; K87-K104 PolarHBondContact O-NZ 3.37Å; V95-K104 HydrophobicContact CG2-CB 3.97Å; V95-K104 HydrophobicContact CG2-CD 4.34Å; K104-L118 WeakPolarHBondContact O-CD2 3.13Å
105	C	73.6	Confident	66.9	Low	2 Å²	2	76.4 Å²	76.4	1%	0.014	38%	0.375	C	S	.	.			trans	-71.6	133.6	168.1	-176.1	0	0	0	0	111.2	V107 S110 L118 H121 N122 H126	C105-V107 VanDerWaalsContact C-N 3.26Å; C105-V107 PolarHBondContact O-N 3.33Å; C105-V107 PolarHBondContact SG-N 3.35Å; C105-S110 WeakPolarHBondContact CB-O 3.49Å; C105-S110 PolarHBondContact N-O 2.77Å; C105-L118 VanDerWaalsContact CA-CD1 3.5Å; C105-L118 HydrophobicContact CB-CD1 3.75Å; C105-H121 VanDerWaalsContact SG-CD2 3.56Å; C105-H121 PolarHBondContact SG-NE2 2.77Å; C105-N122 PolarHBondContact SG-OD1 3.24Å; C105-N122 VanDerWaalsContact SG-OD1 3.33Å; C105-H126 PolarHBondContact SG-CD2 3.47Å; C105-H126 PolarHBondContact SG-NE2 2.84Å
106	S	76.4	Confident	67.4	Low	80 Å²	80	77.3 Å²	77.3	56%	0.559	38%	0.381	S	S	*	.	S	Bend	trans	-77.8	-12.6	177.4	55.7	0	0	0	0	113.4
107	V	74.2	Confident	67.6	Low	94 Å²	94	73.7 Å²	73.7	57%	0.57	36%	0.356	S	S	*	.	S	Bend	trans	-108.5	-24.1	-175.2	-171.9	0	0	0	0	112.2	C105 H126	C105-V107 VanDerWaalsContact C-N 3.26Å; C105-V107 PolarHBondContact O-N 3.33Å; C105-V107 PolarHBondContact SG-N 3.35Å; V107-H126 HydrophobicContact CG1-CB 4.48Å; V107-H126 VanDerWaalsContact CG1-CE1 3.43Å; V107-H126 WeakPolarHBondContact CG1-CE1 3.24Å; V107-H126 VanDerWaalsContact CG1-ND1 3.28Å; V107-H126 WeakPolarHBondContact CG1-ND1 3.43Å; V107-H126 HydrophobicContact CG2-CB 4.49Å
108	C	75	Confident	68.4	Low	36 Å²	36	70.7 Å²	70.7	24%	0.243	34%	0.34	C	S	.	.	S	Bend	trans	-142.3	173.5	176	73.6	0	0	0	0	112.4	S110 H121 H126	C108-S110 PolarHBondContact O-N 2.91Å; C108-S110 VanDerWaalsContact O-N 3.07Å; C108-S110 VanDerWaalsContact SG-CB 3.53Å; C108-S110 PolarHBondContact SG-OG 2.86Å; C108-H121 PolarHBondContact SG-CE1 3.34Å; C108-H121 PolarHBondContact SG-NE2 3.43Å; C108-H126 PolarHBondContact SG-NE2 3.28Å; C108-H126 VanDerWaalsContact SG-NE2 3.39Å
109	H	72.8	Confident	69	Low	110 Å²	110	64.8 Å²	64.8	51%	0.509	33%	0.325	S	S	.	.	S	Bend	trans	-78.4	18.4	-178.2	-58.1	-90.5	0	0	0	114.3	C83 D86	C83-H109 PolarHBondContact N-O 2.85Å; C83-H109 PolarHBondContact SG-O 3.33Å; C83-H109 VanDerWaalsContact SG-O 3.35Å; D86-H109 IonicContact OD1-CE1 3.85Å
110	S	69.5	Low	69.3	Low	9 Å²	9	58.3 Å²	58.3	6%	0.063	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.8	179.9	-56.7	0	0	0	0	111.3	K80 C105 C108	K80-S110 WeakPolarHBondContact CE-OG 3.23Å; C105-S110 WeakPolarHBondContact CB-O 3.49Å; C105-S110 PolarHBondContact N-O 2.77Å; C108-S110 PolarHBondContact O-N 2.91Å; C108-S110 VanDerWaalsContact O-N 3.07Å; C108-S110 VanDerWaalsContact SG-CB 3.53Å; C108-S110 PolarHBondContact SG-OG 2.86Å
111	C	70.6	Confident	70	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	138.8	175.8	-81	0	0	0	0	110.3	H81 C83 L102	H81-C111 HydrophobicContact CB-CB 4.21Å; H81-C111 PolarHBondContact N-O 3.01Å; H81-C111 WeakPolarHBondContact O-CB 3.35Å; H81-C111 PolarHBondContact O-N 3.04Å; C83-C111 HydrophobicContact CB-CB 4Å; C83-C111 WeakPolarHBondContact CB-SG 3.26Å; C83-C111 WeakPolarHBondContact SG-CB 3.4Å; C83-C111 CovalentContact SG-SG 2.07Å; C83-C111 PolarHBondContact SG-SG 3.14Å; L102-C111 HydrophobicContact CB-CB 4.44Å; L102-C111 HydrophobicContact CD1-CB 4.31Å
112	Y	66.4	Low	70	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.3	-174.4	-64.7	-83.6	0	0	0	112.6	K80 L102 F103 S114 F117 L118 H121	K80-Y112 HydrophobicContact CB-CE1 4.46Å; L102-Y112 CarbonylContact C-O 3.54Å; L102-Y112 VanDerWaalsContact CA-O 3.24Å; L102-Y112 WeakPolarHBondContact CA-O 2.95Å; F103-Y112 PolarHBondContact N-O 3.44Å; F103-Y112 PolarHBondContact O-N 2.69Å; Y112-S114 VanDerWaalsContact C-N 3.29Å; Y112-S114 PolarHBondContact O-N 3.22Å; Y112-F117 HydrophobicContact CD1-CB 3.65Å; Y112-F117 HydrophobicContact CE1-CB 4.47Å; Y112-F117 HydrophobicContact CG-CB 4.03Å; Y112-L118 HydrophobicContact CD2-CB 4.04Å; Y112-L118 HydrophobicContact CD2-CD1 4.04Å; Y112-L118 HydrophobicContact CE2-CD1 4.32Å; Y112-L118 HydrophobicContact CG-CB 4.47Å; Y112-H121 HydrophobicContact CE1-CB 4.29Å; Y112-H121 HydrophobicContact CE2-CB 3.72Å; Y112-H121 AromaticContact CE2-CD2 3.7Å; Y112-H121 AromaticContact CE2-CG 3.61Å; Y112-H121 AromaticContact CZ-CG 3.57Å; Y112-H121 AromaticContact CZ-ND1 3.91Å; Y112-H121 WeakPolarHBondContact OH-CB 3.49Å; Y112-H121 PolarHBondContact OH-ND1 3.28Å
113	T	64.8	Low	69.7	Low	59 Å²	59	48.6 Å²	48.6	36%	0.362	26%	0.259	S	S	.	.	S	Bend	trans	-75.7	-13.7	178.9	52.7	0	0	0	0	114.5	L102	L102-T113 HydrophobicContact CD2-CG2 3.68Å
114	S	65.8	Low	69	Low	36 Å²	36	50 Å²	50	25%	0.252	26%	0.264	S	S	.	.	S	Bend	trans	-140.5	145.8	178.1	170.6	0	0	0	0	111.5	Y112 T116 F117 L118	Y112-S114 VanDerWaalsContact C-N 3.29Å; Y112-S114 PolarHBondContact O-N 3.22Å; S114-T116 PolarHBondContact O-N 2.77Å; S114-T116 PolarHBondContact OG-N 2.77Å; S114-F117 PolarHBondContact O-N 3.37Å; S114-F117 VanDerWaalsContact O-N 3.15Å; S114-L118 PolarHBondContact O-N 3.07Å
115	K	74.3	Confident	68.6	Low	113 Å²	113	51.2 Å²	51.2	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-58.5	-30.4	174.3	-166.1	170.4	-174.6	169.1	0	111.8	F103 L118 N119	F103-K115 HydrophobicContact CD1-CB 3.93Å; F103-K115 HydrophobicContact CD1-CG 4.21Å; F103-K115 HydrophobicContact CD2-CB 4.36Å; F103-K115 HydrophobicContact CE1-CB 3.76Å; F103-K115 HydrophobicContact CE1-CD 4.23Å; F103-K115 HydrophobicContact CE1-CG 4.2Å; F103-K115 HydrophobicContact CE2-CB 4.2Å; F103-K115 VanDerWaalsContact CE2-N 3.33Å; F103-K115 HydrophobicContact CG-CB 4.22Å; F103-K115 HydrophobicContact CZ-CB 3.89Å; K115-L118 PolarHBondContact O-N 3.34Å; K115-N119 WeakPolarHBondContact O-CB 3.28Å; K115-N119 PolarHBondContact O-N 3.29Å; K115-N119 PolarHBondContact O-ND2 2.97Å
116	T	67.6	Low	68.4	Low	58 Å²	58	54.1 Å²	54.1	36%	0.356	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-46.6	176.2	-54	0	0	0	0	111.2	S114 N119 I120	S114-T116 PolarHBondContact O-N 2.77Å; S114-T116 PolarHBondContact OG-N 2.77Å; T116-N119 PolarHBondContact O-N 3.12Å; T116-I120 HydrophobicContact CG2-CD1 4.16Å; T116-I120 WeakPolarHBondContact O-CG1 3.42Å; T116-I120 PolarHBondContact O-N 3.39Å
117	F	63.3	Low	67.9	Low	29 Å²	29	57.2 Å²	57.2	13%	0.127	29%	0.292	C	S	.	.	H	α-helix	trans	-67.7	-39.7	178.5	-69.7	-64.2	0	0	0	112.1	L61 Y112 S114 N119 I120 H121	L61-F117 HydrophobicContact CB-CZ 4.2Å; Y112-F117 HydrophobicContact CD1-CB 3.65Å; Y112-F117 HydrophobicContact CE1-CB 4.47Å; Y112-F117 HydrophobicContact CG-CB 4.03Å; S114-F117 PolarHBondContact O-N 3.37Å; S114-F117 VanDerWaalsContact O-N 3.15Å; F117-N119 VanDerWaalsContact C-N 3.29Å; F117-N119 PolarHBondContact O-N 2.75Å; F117-I120 PolarHBondContact O-N 2.84Å; F117-H121 WeakPolarHBondContact O-CB 3.35Å; F117-H121 PolarHBondContact O-N 3.23Å
118	L	69.2	Low	67	Low	20 Å²	20	56.3 Å²	56.3	11%	0.105	29%	0.294	C	S	.	.	H	α-helix	trans	-58.8	-41.5	172.7	174	60.7	0	0	0	111.7	F103 K104 C105 Y112 S114 K115 H121 N122	F103-L118 HydrophobicContact CB-CB 4.09Å; F103-L118 HydrophobicContact CB-CD2 3.79Å; K104-L118 WeakPolarHBondContact O-CD2 3.13Å; C105-L118 VanDerWaalsContact CA-CD1 3.5Å; C105-L118 HydrophobicContact CB-CD1 3.75Å; Y112-L118 HydrophobicContact CD2-CB 4.04Å; Y112-L118 HydrophobicContact CD2-CD1 4.04Å; Y112-L118 HydrophobicContact CE2-CD1 4.32Å; Y112-L118 HydrophobicContact CG-CB 4.47Å; S114-L118 PolarHBondContact O-N 3.07Å; K115-L118 PolarHBondContact O-N 3.34Å; L118-H121 PolarHBondContact O-N 2.8Å; L118-N122 WeakPolarHBondContact O-CB 3.4Å; L118-N122 VanDerWaalsContact O-CG 3.3Å; L118-N122 PolarHBondContact O-N 3Å; L118-N122 PolarHBondContact O-ND2 3.26Å
119	N	71.6	Confident	65.7	Low	91 Å²	91	58.2 Å²	58.2	49%	0.487	30%	0.301	S	S	.	.	H	α-helix	trans	-66.7	-40.4	177.6	-76.8	-23.9	0	0	0	112.7	K115 T116 F117 N122 K123	K115-N119 WeakPolarHBondContact O-CB 3.28Å; K115-N119 PolarHBondContact O-N 3.29Å; K115-N119 PolarHBondContact O-ND2 2.97Å; T116-N119 PolarHBondContact O-N 3.12Å; F117-N119 VanDerWaalsContact C-N 3.29Å; F117-N119 PolarHBondContact O-N 2.75Å; N119-N122 PolarHBondContact O-N 3.23Å; N119-K123 VanDerWaalsContact O-CB 3.26Å; N119-K123 WeakPolarHBondContact O-CB 3.33Å; N119-K123 PolarHBondContact O-N 2.9Å
120	I	63.9	Low	64.3	Low	64 Å²	64	61.9 Å²	61.9	33%	0.328	32%	0.315	S	S	.	.	H	α-helix	trans	-60.9	-51.1	174.3	-74.6	171.2	0	0	0	109.7	T116 F117 N122 K123 Y124	T116-I120 HydrophobicContact CG2-CD1 4.16Å; T116-I120 WeakPolarHBondContact O-CG1 3.42Å; T116-I120 PolarHBondContact O-N 3.39Å; F117-I120 PolarHBondContact O-N 2.84Å; I120-N122 PolarHBondContact O-N 2.86Å; I120-K123 WeakPolarHBondContact O-CB 3.33Å; I120-K123 PolarHBondContact O-N 3.3Å; I120-Y124 HydrophobicContact CB-CD2 4.44Å; I120-Y124 HydrophobicContact CB-CE2 4.48Å; I120-Y124 HydrophobicContact CG2-CD2 3.6Å; I120-Y124 HydrophobicContact CG2-CE2 3.78Å; I120-Y124 WeakPolarHBondContact O-CD2 3.42Å; I120-Y124 PolarHBondContact O-N 3.18Å
121	H	71	Confident	62.8	Low	3 Å²	3	66.7 Å²	66.7	1%	0.014	34%	0.34	C	S	.	.	H	α-helix	trans	-54.5	-51.9	175.7	165.4	71	0	0	0	111.8	E76 C105 C108 Y112 F117 L118 K123 Y124 V125 H126	E76-H121 WeakPolarHBondContact OE1-CA 3.24Å; E76-H121 IonicContact OE1-CG 3.86Å; E76-H121 IonicContact OE1-ND1 3.88Å; E76-H121 PolarHBondContact OE1-ND1 3.24Å; E76-H121 IonicContact OE2-ND1 2.69Å; C105-H121 VanDerWaalsContact SG-CD2 3.56Å; C105-H121 PolarHBondContact SG-NE2 2.77Å; C108-H121 PolarHBondContact SG-CE1 3.34Å; C108-H121 PolarHBondContact SG-NE2 3.43Å; Y112-H121 HydrophobicContact CE1-CB 4.29Å; Y112-H121 HydrophobicContact CE2-CB 3.72Å; Y112-H121 AromaticContact CE2-CD2 3.7Å; Y112-H121 AromaticContact CE2-CG 3.61Å; Y112-H121 AromaticContact CZ-CG 3.57Å; Y112-H121 AromaticContact CZ-ND1 3.91Å; Y112-H121 WeakPolarHBondContact OH-CB 3.49Å; Y112-H121 PolarHBondContact OH-ND1 3.28Å; F117-H121 WeakPolarHBondContact O-CB 3.35Å; F117-H121 PolarHBondContact O-N 3.23Å; L118-H121 PolarHBondContact O-N 2.8Å; H121-K123 PolarHBondContact O-N 3.29Å; H121-Y124 PolarHBondContact O-N 3.39Å; H121-V125 WeakPolarHBondContact ND1-CG2 3.5Å; H121-V125 VanDerWaalsContact O-CB 3.29Å; H121-V125 WeakPolarHBondContact O-CB 3.36Å; H121-V125 PolarHBondContact O-N 3.15Å; H121-H126 AromaticContact CD2-CD2 3.89Å; H121-H126 AromaticContact CE1-CD2 3.95Å; H121-H126 AromaticContact CE1-NE2 3.52Å; H121-H126 AromaticContact NE2-CD2 3.32Å; H121-H126 PolarHBondContact NE2-CD2 2.95Å; H121-H126 VanDerWaalsContact NE2-CD2 3.32Å; H121-H126 AromaticContact NE2-NE2 3Å; H121-H126 PolarHBondContact NE2-NE2 3.29Å
122	N	65.6	Low	61	Low	30 Å²	30	71.8 Å²	71.8	16%	0.16	38%	0.376	C	S	.	.	I	π-helix	trans	-57.9	-38.7	176.4	-78.4	-30.9	0	0	0	112.2	C105 L118 N119 I120 H126 K127	C105-N122 PolarHBondContact SG-OD1 3.24Å; C105-N122 VanDerWaalsContact SG-OD1 3.33Å; L118-N122 WeakPolarHBondContact O-CB 3.4Å; L118-N122 VanDerWaalsContact O-CG 3.3Å; L118-N122 PolarHBondContact O-N 3Å; L118-N122 PolarHBondContact O-ND2 3.26Å; N119-N122 PolarHBondContact O-N 3.23Å; I120-N122 PolarHBondContact O-N 2.86Å; N122-H126 PolarHBondContact O-N 3.15Å; N122-K127 WeakPolarHBondContact O-CB 3.05Å; N122-K127 WeakPolarHBondContact O-CG 3.4Å; N122-K127 PolarHBondContact O-N 3.26Å
123	K	64.4	Low	59.4	Low	88 Å²	88	74.8 Å²	74.8	38%	0.383	39%	0.39	S	S	.	.	I	π-helix	trans	-67	-43.4	179.9	-173.2	177.6	-178.7	-179.6	0	112.1	N119 I120 H121 I129	N119-K123 VanDerWaalsContact O-CB 3.26Å; N119-K123 WeakPolarHBondContact O-CB 3.33Å; N119-K123 PolarHBondContact O-N 2.9Å; I120-K123 WeakPolarHBondContact O-CB 3.33Å; I120-K123 PolarHBondContact O-N 3.3Å; H121-K123 PolarHBondContact O-N 3.29Å; K123-I129 HydrophobicContact CG-CB 4.04Å; K123-I129 HydrophobicContact CG-CD1 3.86Å; K123-I129 HydrophobicContact CG-CG1 4.49Å; K123-I129 HydrophobicContact CG-CG2 4.41Å; K123-I129 PolarHBondContact O-N 3.48Å
124	Y	56.4	Low	57.8	Low	80 Å²	80	76.4 Å²	76.4	31%	0.314	40%	0.396	S	S	.	.	I	π-helix	trans	-93.8	-38.3	-171.6	-66.1	-58.7	0	0	0	113.9	I120 H121 I129 L131	I120-Y124 HydrophobicContact CB-CD2 4.44Å; I120-Y124 HydrophobicContact CB-CE2 4.48Å; I120-Y124 HydrophobicContact CG2-CD2 3.6Å; I120-Y124 HydrophobicContact CG2-CE2 3.78Å; I120-Y124 WeakPolarHBondContact O-CD2 3.42Å; I120-Y124 PolarHBondContact O-N 3.18Å; H121-Y124 PolarHBondContact O-N 3.39Å; Y124-I129 WeakPolarHBondContact CD1-O 3.48Å; Y124-L131 HydrophobicContact CE1-CD1 3.65Å; Y124-L131 HydrophobicContact CE1-CG 3.64Å; Y124-L131 WeakPolarHBondContact OH-CD1 3.48Å
125	V	64.1	Low	56.6	Low	69 Å²	69	78.4 Å²	78.4	42%	0.418	40%	0.403	S	S	.	.	I	π-helix	trans	-87.3	-47.6	-177.3	-178.2	0	0	0	0	111.7	E76 H121	E76-V125 VanDerWaalsContact CD-CG2 3.44Å; E76-V125 WeakPolarHBondContact OE1-CG2 3.34Å; E76-V125 WeakPolarHBondContact OE2-CG2 3.3Å; H121-V125 WeakPolarHBondContact ND1-CG2 3.5Å; H121-V125 VanDerWaalsContact O-CB 3.29Å; H121-V125 WeakPolarHBondContact O-CB 3.36Å; H121-V125 PolarHBondContact O-N 3.15Å
126	H	70.1	Confident	54.8	Low	63 Å²	63	81.4 Å²	81.4	29%	0.292	41%	0.412	S	S	.	.	I	π-helix	trans	-97.7	-36.3	-171	-65.4	-51.7	0	0	0	114	C105 V107 C108 H121 N122 A128	C105-H126 PolarHBondContact SG-CD2 3.47Å; C105-H126 PolarHBondContact SG-NE2 2.84Å; V107-H126 HydrophobicContact CG1-CB 4.48Å; V107-H126 VanDerWaalsContact CG1-CE1 3.43Å; V107-H126 WeakPolarHBondContact CG1-CE1 3.24Å; V107-H126 VanDerWaalsContact CG1-ND1 3.28Å; V107-H126 WeakPolarHBondContact CG1-ND1 3.43Å; V107-H126 HydrophobicContact CG2-CB 4.49Å; C108-H126 PolarHBondContact SG-NE2 3.28Å; C108-H126 VanDerWaalsContact SG-NE2 3.39Å; H121-H126 AromaticContact CD2-CD2 3.89Å; H121-H126 AromaticContact CE1-CD2 3.95Å; H121-H126 AromaticContact CE1-NE2 3.52Å; H121-H126 AromaticContact NE2-CD2 3.32Å; H121-H126 PolarHBondContact NE2-CD2 2.95Å; H121-H126 VanDerWaalsContact NE2-CD2 3.32Å; H121-H126 AromaticContact NE2-NE2 3Å; H121-H126 PolarHBondContact NE2-NE2 3.29Å; N122-H126 PolarHBondContact O-N 3.15Å; H126-A128 VanDerWaalsContact C-N 3.34Å
127	K	65.6	Low	53.4	Low	146 Å²	146	83.8 Å²	83.8	64%	0.635	42%	0.422	S	S	*	.	S	Bend	trans	-86.7	-5.3	177.6	-68	-178.8	177.3	-176.9	0	113.5	N122 I129	N122-K127 WeakPolarHBondContact O-CB 3.05Å; N122-K127 WeakPolarHBondContact O-CG 3.4Å; N122-K127 PolarHBondContact O-N 3.26Å; K127-I129 HydrophobicContact CB-CD1 3.89Å; K127-I129 HydrophobicContact CB-CG1 3.97Å; K127-I129 HydrophobicContact CD-CD1 4.19Å; K127-I129 PolarHBondContact O-N 2.95Å
128	A	55.4	Low	52.5	Low	75 Å²	75	87.7 Å²	87.7	62%	0.62	44%	0.439	S	S	*	.			trans	46.2	31.7	-177.8	0	0	0	0	0	113.2	H126 K130	H126-A128 VanDerWaalsContact C-N 3.34Å; A128-K130 VanDerWaalsContact C-N 3.26Å; A128-K130 PolarHBondContact O-N 2.87Å
129	I	47	Very low	51	Low	76 Å²	76	94 Å²	94	39%	0.39	47%	0.473	S	S	.	.			trans	-73.3	93	175.6	-65.6	165.7	0	0	0	105.5	K123 Y124 K127 L131	K123-I129 HydrophobicContact CG-CB 4.04Å; K123-I129 HydrophobicContact CG-CD1 3.86Å; K123-I129 HydrophobicContact CG-CG1 4.49Å; K123-I129 HydrophobicContact CG-CG2 4.41Å; K123-I129 PolarHBondContact O-N 3.48Å; Y124-I129 WeakPolarHBondContact CD1-O 3.48Å; K127-I129 HydrophobicContact CB-CD1 3.89Å; K127-I129 HydrophobicContact CB-CG1 3.97Å; K127-I129 HydrophobicContact CD-CD1 4.19Å; K127-I129 PolarHBondContact O-N 2.95Å; I129-L131 PolarHBondContact O-N 2.77Å
130	K	42.6	Very low	49.8	Very low	186 Å²	186	92 Å²	92	81%	0.809	46%	0.46	S	S	*	.			trans	-53.9	125.8	163	-66.9	-175.8	179.2	-178.4	0	105.9	A128 S132	A128-K130 VanDerWaalsContact C-N 3.26Å; A128-K130 PolarHBondContact O-N 2.87Å; K130-S132 PolarHBondContact O-N 3.07Å
131	L	39.4	Very low	48.8	Very low	111 Å²	111	94.6 Å²	94.6	58%	0.581	48%	0.484	S	S	*	.			trans	-55.1	99.6	161.5	-87.9	150.5	0	0	0	105.4	Y124 I129 H133	Y124-L131 HydrophobicContact CE1-CD1 3.65Å; Y124-L131 HydrophobicContact CE1-CG 3.64Å; Y124-L131 WeakPolarHBondContact OH-CD1 3.48Å; I129-L131 PolarHBondContact O-N 2.77Å; L131-H133 PolarHBondContact O-N 3.37Å; L131-H133 VanDerWaalsContact O-N 3.12Å
132	S	32.2	Very low	48	Very low	107 Å²	107	99 Å²	99	75%	0.748	51%	0.507	S	S	*	.			trans	-52	124	168.5	48.5	0	0	0	0	106	K130 D134	K130-S132 PolarHBondContact O-N 3.07Å; S132-D134 PolarHBondContact O-N 2.86Å
133	H	32.5	Very low	47.6	Very low	67 Å²	67	104.6 Å²	104.6	31%	0.31	53%	0.53	S	S	.	.	S	Bend	trans	-68.5	67.2	-168.1	174.1	-113.4	0	0	0	111.8	S10 L131 R136	S10-H133 VanDerWaalsContact CA-CD2 3.49Å; S10-H133 WeakPolarHBondContact CA-CD2 3.26Å; S10-H133 WeakPolarHBondContact CA-NE2 3.35Å; S10-H133 WeakPolarHBondContact CB-NE2 3.32Å; S10-H133 PolarHBondContact OG-CE1 3.01Å; S10-H133 PolarHBondContact OG-NE2 3.41Å; L131-H133 PolarHBondContact O-N 3.37Å; L131-H133 VanDerWaalsContact O-N 3.12Å; H133-R136 PolarHBondContact CE1-NH2 3.4Å
134	D	31.7	Very low	47.3	Very low	92 Å²	92	105.2 Å²	105.2	49%	0.492	54%	0.541	S	S	.	.			trans	-119.3	37.6	174.4	-154.2	13.3	0	0	0	111.3	S132 R136 N137	S132-D134 PolarHBondContact O-N 2.86Å; D134-R136 PolarHBondContact O-N 2.9Å; D134-N137 PolarHBondContact O-N 3.35Å; D134-N137 WeakPolarHBondContact OD1-CB 3.1Å; D134-N137 PolarHBondContact OD1-ND2 3.17Å; D134-N137 VanDerWaalsContact OD1-ND2 3.14Å
135	L	40	Very low	47.3	Very low	79 Å²	79	104.3 Å²	104.3	41%	0.414	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-70.2	-9.4	163.5	-70.1	174.7	0	0	0	111.9	C9 N137 K138	C9-L135 WeakPolarHBondContact O-CB 3.1Å; L135-N137 PolarHBondContact O-N 3.33Å; L135-K138 HydrophobicContact CD2-CD 4.02Å
136	R	37.2	Very low	47	Very low	175 Å²	175	106.2 Å²	106.2	66%	0.66	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-67.5	-19.9	167.2	-95.7	-173.9	-78.5	-157.1	-3.3	112.9	H133 D134	H133-R136 PolarHBondContact CE1-NH2 3.4Å; D134-R136 PolarHBondContact O-N 2.9Å
137	N	37.4	Very low	46.5	Very low	109 Å²	109	106.3 Å²	106.3	58%	0.583	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-125.3	46.2	174.7	-72.7	-51	0	0	0	112.3	D134 L135 D139	D134-N137 PolarHBondContact O-N 3.35Å; D134-N137 WeakPolarHBondContact OD1-CB 3.1Å; D134-N137 PolarHBondContact OD1-ND2 3.17Å; D134-N137 VanDerWaalsContact OD1-ND2 3.14Å; L135-N137 PolarHBondContact O-N 3.33Å; N137-D139 VanDerWaalsContact C-N 3.26Å; N137-D139 PolarHBondContact O-N 3.05Å
138	K	45.4	Very low	46.4	Very low	111 Å²	111	101.8 Å²	101.8	48%	0.483	53%	0.528	S	S	.	.			trans	-73.8	92.9	164.6	-151.5	171.4	-176.6	-172	0	107.2	L135 F140	L135-K138 HydrophobicContact CD2-CD 4.02Å; K138-F140 HydrophobicContact CB-CD2 4.36Å; K138-F140 HydrophobicContact CB-CE2 3.87Å; K138-F140 HydrophobicContact CB-CZ 3.96Å; K138-F140 HydrophobicContact CD-CE1 3.81Å; K138-F140 HydrophobicContact CD-CE2 4.45Å; K138-F140 HydrophobicContact CD-CZ 3.69Å; K138-F140 HydrophobicContact CG-CE1 4.15Å; K138-F140 HydrophobicContact CG-CE2 4.38Å; K138-F140 HydrophobicContact CG-CZ 4.04Å; K138-F140 WeakPolarHBondContact O-CD2 3.29Å; K138-F140 PolarHBondContact O-N 3.12Å
139	D	37.4	Very low	46.7	Very low	153 Å²	153	100.2 Å²	100.2	82%	0.818	51%	0.508	S	S	*	.			trans	-59.5	89	169.4	-87.5	-41.7	0	0	0	108.4	N137 S141	N137-D139 VanDerWaalsContact C-N 3.26Å; N137-D139 PolarHBondContact O-N 3.05Å; D139-S141 VanDerWaalsContact C-N 3.25Å; D139-S141 PolarHBondContact O-N 3.02Å
140	F	47.4	Very low	47.4	Very low	47 Å²	47	99.6 Å²	99.6	21%	0.206	51%	0.505	C	S	.	.			trans	-72.3	90.4	169.8	-65.5	-74.8	0	0	0	106.9	K138 I142 T145 R146 H149	K138-F140 HydrophobicContact CB-CD2 4.36Å; K138-F140 HydrophobicContact CB-CE2 3.87Å; K138-F140 HydrophobicContact CB-CZ 3.96Å; K138-F140 HydrophobicContact CD-CE1 3.81Å; K138-F140 HydrophobicContact CD-CE2 4.45Å; K138-F140 HydrophobicContact CD-CZ 3.69Å; K138-F140 HydrophobicContact CG-CE1 4.15Å; K138-F140 HydrophobicContact CG-CE2 4.38Å; K138-F140 HydrophobicContact CG-CZ 4.04Å; K138-F140 WeakPolarHBondContact O-CD2 3.29Å; K138-F140 PolarHBondContact O-N 3.12Å; F140-I142 PolarHBondContact O-N 2.93Å; F140-T145 HydrophobicContact CD1-CG2 3.53Å; F140-T145 HydrophobicContact CE1-CG2 3.81Å; F140-R146 HydrophobicContact CB-CB 3.56Å; F140-R146 HydrophobicContact CB-CG 4.27Å; F140-R146 HydrophobicContact CD2-CB 3.93Å; F140-R146 HydrophobicContact CD2-CG 3.94Å; F140-R146 HydrophobicContact CG-CB 3.84Å; F140-R146 HydrophobicContact CG-CG 4.36Å; F140-H149 HydrophobicContact CE1-CB 3.92Å; F140-H149 HydrophobicContact CE2-CB 3.77Å; F140-H149 AromaticContact CE2-CD2 3.52Å; F140-H149 AromaticContact CE2-CG 3.65Å; F140-H149 HydrophobicContact CZ-CB 3.3Å; F140-H149 AromaticContact CZ-CD2 3.75Å; F140-H149 AromaticContact CZ-CG 3.36Å; F140-H149 AromaticContact CZ-ND1 3.95Å
141	S	42.9	Very low	48.4	Very low	119 Å²	119	93.5 Å²	93.5	83%	0.832	48%	0.479	S	S	*	.	S	Bend	trans	-58	-18.1	175	57	0	0	0	0	112.8	D139	D139-S141 VanDerWaalsContact C-N 3.25Å; D139-S141 PolarHBondContact O-N 3.02Å
142	I	53	Low	49.4	Very low	96 Å²	96	89.2 Å²	89.2	49%	0.492	46%	0.457	S	S	.	.	S	Bend	trans	-117	121.7	179.5	-51.7	173.5	0	0	0	109.5	F140 T144 T145 R146	F140-I142 PolarHBondContact O-N 2.93Å; I142-T144 VanDerWaalsContact C-N 3.26Å; I142-T144 WeakPolarHBondContact CG2-OG1 3.06Å; I142-T144 PolarHBondContact O-N 2.93Å; I142-T145 PolarHBondContact O-N 3.21Å; I142-R146 PolarHBondContact O-N 3.05Å
143	K	57.1	Low	50.6	Low	148 Å²	148	85.5 Å²	85.5	64%	0.643	43%	0.433	S	S	*	.	H	α-helix	trans	-50.9	-42.2	179.4	-177.6	-179.5	175.5	-175.5	0	113	T145 R146 D147	K143-T145 VanDerWaalsContact C-N 3.31Å; K143-T145 PolarHBondContact O-N 3.06Å; K143-R146 WeakPolarHBondContact O-CB 3.39Å; K143-R146 PolarHBondContact O-N 2.94Å; K143-D147 PolarHBondContact O-N 3.37Å
144	T	58.1	Low	52	Low	101 Å²	101	87 Å²	87	62%	0.62	44%	0.44	S	S	*	.	H	α-helix	trans	-62.5	-37.7	-179.3	54.5	0	0	0	0	112.3	I142 L148	I142-T144 VanDerWaalsContact C-N 3.26Å; I142-T144 WeakPolarHBondContact CG2-OG1 3.06Å; I142-T144 PolarHBondContact O-N 2.93Å; T144-L148 VanDerWaalsContact O-CB 3.26Å; T144-L148 WeakPolarHBondContact O-CB 3.35Å; T144-L148 PolarHBondContact O-N 3.25Å
145	T	56.4	Low	53.7	Low	61 Å²	61	87.8 Å²	87.8	37%	0.374	44%	0.441	S	S	.	.	H	α-helix	trans	-71.6	-37.7	179.1	-43.7	0	0	0	0	111.7	F140 I142 K143 H149	F140-T145 HydrophobicContact CD1-CG2 3.53Å; F140-T145 HydrophobicContact CE1-CG2 3.81Å; I142-T145 PolarHBondContact O-N 3.21Å; K143-T145 VanDerWaalsContact C-N 3.31Å; K143-T145 PolarHBondContact O-N 3.06Å; T145-H149 PolarHBondContact O-N 2.93Å
146	R	57.5	Low	54.8	Low	108 Å²	108	85.4 Å²	85.4	41%	0.408	44%	0.435	S	S	.	.	H	α-helix	trans	-62.4	-51.1	172.9	-173.4	-161.5	61	-169.6	-1.1	111.4	F140 I142 K143 L148 H149 I150	F140-R146 HydrophobicContact CB-CB 3.56Å; F140-R146 HydrophobicContact CB-CG 4.27Å; F140-R146 HydrophobicContact CD2-CB 3.93Å; F140-R146 HydrophobicContact CD2-CG 3.94Å; F140-R146 HydrophobicContact CG-CB 3.84Å; F140-R146 HydrophobicContact CG-CG 4.36Å; I142-R146 PolarHBondContact O-N 3.05Å; K143-R146 WeakPolarHBondContact O-CB 3.39Å; K143-R146 PolarHBondContact O-N 2.94Å; R146-L148 PolarHBondContact O-N 3.17Å; R146-H149 WeakPolarHBondContact O-CB 3.13Å; R146-H149 PolarHBondContact O-N 2.85Å; R146-I150 HydrophobicContact CG-CD1 4.18Å; R146-I150 WeakPolarHBondContact O-CG1 3.4Å; R146-I150 PolarHBondContact O-N 3.24Å
147	D	61	Low	56.3	Low	66 Å²	66	78.8 Å²	78.8	35%	0.353	41%	0.412	S	S	.	.	H	α-helix	trans	-62.7	-37.4	-177.3	-64.9	-11.5	0	0	0	110.3	K143 I150 K151	K143-D147 PolarHBondContact O-N 3.37Å; D147-I150 PolarHBondContact O-N 3.06Å; D147-K151 VanDerWaalsContact O-CB 3.26Å; D147-K151 WeakPolarHBondContact O-CB 2.99Å; D147-K151 PolarHBondContact O-N 2.9Å
148	L	62.4	Low	57.9	Low	50 Å²	50	74.2 Å²	74.2	26%	0.262	39%	0.388	S	S	.	.	H	α-helix	trans	-62.9	-42.9	172.2	-172.9	64.2	0	0	0	112.7	T144 R146 K151 T152 A169 C170	T144-L148 VanDerWaalsContact O-CB 3.26Å; T144-L148 WeakPolarHBondContact O-CB 3.35Å; T144-L148 PolarHBondContact O-N 3.25Å; R146-L148 PolarHBondContact O-N 3.17Å; L148-K151 PolarHBondContact O-N 3.44Å; L148-T152 HydrophobicContact CD1-CG2 4.24Å; L148-T152 WeakPolarHBondContact O-CB 3.27Å; L148-T152 VanDerWaalsContact O-CG2 3.23Å; L148-T152 WeakPolarHBondContact O-CG2 3.28Å; L148-T152 PolarHBondContact O-N 3.47Å; L148-T152 PolarHBondContact O-OG1 3.26Å; L148-A169 HydrophobicContact CD1-CB 3.78Å; L148-A169 WeakPolarHBondContact CD1-O 3.36Å; L148-A169 HydrophobicContact CD2-CB 3.9Å; L148-A169 HydrophobicContact CG-CB 3.91Å; L148-C170 HydrophobicContact CD1-CB 3.97Å
149	H	63	Low	59.1	Low	43 Å²	43	70.4 Å²	70.4	20%	0.199	37%	0.371	C	S	.	.	H	α-helix	trans	-61.7	-45.4	175.6	166.4	70.9	0	0	0	111.5	F140 T145 R146 K151 T152 A153 H154	F140-H149 HydrophobicContact CE1-CB 3.92Å; F140-H149 HydrophobicContact CE2-CB 3.77Å; F140-H149 AromaticContact CE2-CD2 3.52Å; F140-H149 AromaticContact CE2-CG 3.65Å; F140-H149 HydrophobicContact CZ-CB 3.3Å; F140-H149 AromaticContact CZ-CD2 3.75Å; F140-H149 AromaticContact CZ-CG 3.36Å; F140-H149 AromaticContact CZ-ND1 3.95Å; T145-H149 PolarHBondContact O-N 2.93Å; R146-H149 WeakPolarHBondContact O-CB 3.13Å; R146-H149 PolarHBondContact O-N 2.85Å; H149-K151 VanDerWaalsContact C-N 3.34Å; H149-K151 PolarHBondContact O-N 3.49Å; H149-T152 PolarHBondContact O-N 2.85Å; H149-T152 PolarHBondContact O-OG1 3.24Å; H149-A153 VanDerWaalsContact O-CB 3.24Å; H149-A153 WeakPolarHBondContact O-CB 3.37Å; H149-A153 PolarHBondContact O-N 3.36Å; H149-H154 AromaticContact NE2-NE2 3.62Å
150	I	60.6	Low	60.7	Low	63 Å²	63	66.5 Å²	66.5	32%	0.323	35%	0.348	S	S	.	.	I	π-helix	trans	-59.7	-49.9	177.8	-64.2	171.1	0	0	0	110	R146 D147 T152 H154 E155	R146-I150 HydrophobicContact CG-CD1 4.18Å; R146-I150 WeakPolarHBondContact O-CG1 3.4Å; R146-I150 PolarHBondContact O-N 3.24Å; D147-I150 PolarHBondContact O-N 3.06Å; I150-T152 VanDerWaalsContact C-N 3.26Å; I150-T152 PolarHBondContact O-N 2.98Å; I150-H154 HydrophobicContact CG2-CB 4.4Å; I150-H154 WeakPolarHBondContact O-CA 3.41Å; I150-H154 WeakPolarHBondContact O-CB 3.49Å; I150-H154 PolarHBondContact O-N 3.37Å; I150-E155 HydrophobicContact CG2-CG 4.41Å; I150-E155 PolarHBondContact O-N 3.2Å
151	K	63.8	Low	61.8	Low	57 Å²	57	64.5 Å²	64.5	25%	0.248	34%	0.339	C	S	.	.	I	π-helix	trans	-55.8	-39.5	179	-178.3	168.9	-174.7	-176.5	0	113.3	D147 L148 H149 E155 G156 I157 Y159	D147-K151 VanDerWaalsContact O-CB 3.26Å; D147-K151 WeakPolarHBondContact O-CB 2.99Å; D147-K151 PolarHBondContact O-N 2.9Å; L148-K151 PolarHBondContact O-N 3.44Å; H149-K151 VanDerWaalsContact C-N 3.34Å; H149-K151 PolarHBondContact O-N 3.49Å; K151-E155 WeakPolarHBondContact CA-OE2 3.49Å; K151-E155 CarbonylContact O-C 3.59Å; K151-E155 WeakPolarHBondContact O-CB 3.12Å; K151-G156 PolarHBondContact O-N 3Å; K151-I157 HydrophobicContact CD-CB 4.33Å; K151-I157 HydrophobicContact CD-CG2 4.38Å; K151-I157 HydrophobicContact CG-CB 3.65Å; K151-I157 HydrophobicContact CG-CD1 4.06Å; K151-I157 HydrophobicContact CG-CG1 4.24Å; K151-I157 HydrophobicContact CG-CG2 4.22Å; K151-I157 PolarHBondContact O-N 3.29Å; K151-Y159 PolarHBondContact NZ-OH 2.88Å; K151-Y159 VanDerWaalsContact NZ-OH 3.07Å
152	T	60.1	Low	63.4	Low	21 Å²	21	61.8 Å²	61.8	13%	0.129	33%	0.33	C	S	.	.	I	π-helix	trans	-91	-44.1	-173	53.4	0	0	0	0	113.1	I67 L148 H149 I150 A169	I67-T152 HydrophobicContact CD1-CG2 3.47Å; I67-T152 VanDerWaalsContact CD1-CG2 3.47Å; I67-T152 HydrophobicContact CG1-CG2 3.65Å; L148-T152 HydrophobicContact CD1-CG2 4.24Å; L148-T152 WeakPolarHBondContact O-CB 3.27Å; L148-T152 VanDerWaalsContact O-CG2 3.23Å; L148-T152 WeakPolarHBondContact O-CG2 3.28Å; L148-T152 PolarHBondContact O-N 3.47Å; L148-T152 PolarHBondContact O-OG1 3.26Å; H149-T152 PolarHBondContact O-N 2.85Å; H149-T152 PolarHBondContact O-OG1 3.24Å; I150-T152 VanDerWaalsContact C-N 3.26Å; I150-T152 PolarHBondContact O-N 2.98Å; T152-A169 HydrophobicContact CG2-CB 3.67Å
153	A	58.6	Low	64.3	Low	29 Å²	29	62.7 Å²	62.7	24%	0.24	33%	0.332	C	S	.	.	I	π-helix	trans	-86.3	-35.6	-176	0	0	0	0	0	113	P8 H149	P8-A153 HydrophobicContact CB-CB 4.45Å; P8-A153 WeakPolarHBondContact CB-O 3.45Å; P8-A153 WeakPolarHBondContact CG-O 3.48Å; H149-A153 VanDerWaalsContact O-CB 3.24Å; H149-A153 WeakPolarHBondContact O-CB 3.37Å; H149-A153 PolarHBondContact O-N 3.36Å
154	H	62.1	Low	65	Low	98 Å²	98	57.3 Å²	57.3	45%	0.454	31%	0.313	S	S	.	.	I	π-helix	trans	-104.7	-35.4	-174.8	-63.3	-62.8	0	0	0	113.2	C9 H149 I150	C9-H154 PolarHBondContact SG-CE1 2.84Å; C9-H154 PolarHBondContact SG-NE2 3.48Å; H149-H154 AromaticContact NE2-NE2 3.62Å; I150-H154 HydrophobicContact CG2-CB 4.4Å; I150-H154 WeakPolarHBondContact O-CA 3.41Å; I150-H154 WeakPolarHBondContact O-CB 3.49Å; I150-H154 PolarHBondContact O-N 3.37Å
155	E	65.5	Low	65.6	Low	110 Å²	110	59.7 Å²	59.7	51%	0.514	32%	0.322	S	S	.	.	S	Bend	trans	-94.8	-10.8	178.5	-53.2	178.7	160	0	0	113.3	I150 K151 I157	I150-E155 HydrophobicContact CG2-CG 4.41Å; I150-E155 PolarHBondContact O-N 3.2Å; K151-E155 WeakPolarHBondContact CA-OE2 3.49Å; K151-E155 CarbonylContact O-C 3.59Å; K151-E155 WeakPolarHBondContact O-CB 3.12Å; E155-I157 HydrophobicContact CB-CD1 3.97Å; E155-I157 HydrophobicContact CB-CG1 3.86Å; E155-I157 PolarHBondContact O-N 2.99Å; E155-I157 WeakPolarHBondContact OE2-CD1 3.25Å
156	G	64.9	Low	66	Low	29 Å²	29	60.3 Å²	60.3	30%	0.299	32%	0.317	S	S	.	.			trans	65.7	19.9	179.2	0	0	0	0	0	114.4	K151	K151-G156 PolarHBondContact O-N 3Å
157	I	67.3	Low	66.5	Low	35 Å²	35	57 Å²	57	18%	0.179	31%	0.307	C	S	.	.			trans	-87.4	122.8	-177	-51.6	177.2	0	0	0	109.4	N39 K151 E155	N39-I157 HydrophobicContact CB-CG1 4.43Å; K151-I157 HydrophobicContact CD-CB 4.33Å; K151-I157 HydrophobicContact CD-CG2 4.38Å; K151-I157 HydrophobicContact CG-CB 3.65Å; K151-I157 HydrophobicContact CG-CD1 4.06Å; K151-I157 HydrophobicContact CG-CG1 4.24Å; K151-I157 HydrophobicContact CG-CG2 4.22Å; K151-I157 PolarHBondContact O-N 3.29Å; E155-I157 HydrophobicContact CB-CD1 3.97Å; E155-I157 HydrophobicContact CB-CG1 3.86Å; E155-I157 PolarHBondContact O-N 2.99Å; E155-I157 WeakPolarHBondContact OE2-CD1 3.25Å
158	N	71.7	Confident	66.6	Low	13 Å²	13	54 Å²	54	7%	0.07	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-141.6	165.7	179.9	64.3	34.5	0	0	0	112.1	V38 V41 I67 N167	V38-N158 WeakPolarHBondContact CG1-ND2 3.12Å; V41-N158 PolarHBondContact N-O 3.25Å; I67-N158 HydrophobicContact CD1-CB 3.16Å; N158-N167 HydrophobicContact CB-CB 4.35Å
159	Y	69.6	Low	66.7	Low	32 Å²	32	51.8 Å²	51.8	13%	0.125	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	106.7	177.4	-62.5	-88.6	0	0	0	108.3	V41 K151 N167 F168 C170 K171	V41-Y159 HydrophobicContact CB-CD1 3.8Å; V41-Y159 HydrophobicContact CB-CE1 3.78Å; V41-Y159 HydrophobicContact CG1-CD1 4.25Å; V41-Y159 HydrophobicContact CG1-CE1 3.98Å; V41-Y159 HydrophobicContact CG2-CD1 4.32Å; V41-Y159 HydrophobicContact CG2-CE1 3.93Å; K151-Y159 PolarHBondContact NZ-OH 2.88Å; K151-Y159 VanDerWaalsContact NZ-OH 3.07Å; Y159-N167 CarbonylContact O-C 3.45Å; Y159-F168 PolarHBondContact N-O 3.32Å; Y159-F168 WeakPolarHBondContact O-CD2 3.45Å; Y159-F168 PolarHBondContact O-N 3.26Å; Y159-C170 VanDerWaalsContact CD2-C 3.46Å; Y159-K171 HydrophobicContact CD1-CB 4.29Å; Y159-K171 HydrophobicContact CE1-CB 3.96Å; Y159-K171 HydrophobicContact CE1-CG 4.47Å; Y159-K171 HydrophobicContact CE2-CB 4.41Å
160	Q	71.1	Confident	66.8	Low	71 Å²	71	51 Å²	51	33%	0.332	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	140.1	178.7	-170.5	178.8	15.1	0	0	110.3	V40 R166 N167	V40-Q160 HydrophobicContact CG1-CB 3.61Å; Q160-R166 WeakPolarHBondContact CA-O 3.15Å; Q160-N167 WeakPolarHBondContact CB-OD1 3.37Å; Q160-N167 WeakPolarHBondContact CG-OD1 3.43Å
161	C	70.4	Confident	67.4	Low	4 Å²	4	50.6 Å²	50.6	3%	0.027	28%	0.276	C	S	.	.			trans	-73.3	134	167.2	-174.2	0	0	0	0	110.7	Q163 C164 R166 F168 L174	C161-Q163 VanDerWaalsContact C-N 3.27Å; C161-Q163 PolarHBondContact SG-N 3.33Å; C161-C164 CarbonylContact C-O 3.46Å; C161-C164 WeakPolarHBondContact CB-O 3.35Å; C161-R166 PolarHBondContact N-O 3.47Å; C161-F168 HydrophobicContact CB-CE2 4.34Å; C161-L174 HydrophobicContact CB-CD1 3.64Å
162	G	77.6	Confident	67.6	Low	62 Å²	62	49.7 Å²	49.7	64%	0.639	28%	0.277	S	S	*	.	S	Bend	trans	-77	-15.8	174.9	0	0	0	0	0	112.9	E43	E43-G162 PolarHBondContact OE1-N 3.47Å
163	Q	71.3	Confident	67.9	Low	116 Å²	116	49.6 Å²	49.6	54%	0.542	28%	0.275	S	S	.	.	S	Bend	trans	-101.3	-14.2	178.3	-59.9	-169.7	37.2	0	0	113.8	C161 H182	C161-Q163 VanDerWaalsContact C-N 3.27Å; C161-Q163 PolarHBondContact SG-N 3.33Å; Q163-H182 WeakPolarHBondContact CB-CE1 3.34Å; Q163-H182 VanDerWaalsContact CB-ND1 3.31Å; Q163-H182 WeakPolarHBondContact CB-ND1 3.5Å; Q163-H182 VanDerWaalsContact OE1-CB 3.23Å; Q163-H182 VanDerWaalsContact OE1-CG 3.28Å; Q163-H182 PolarHBondContact OE1-ND1 2.73Å
164	C	71.9	Confident	68.5	Low	34 Å²	34	48.2 Å²	48.2	23%	0.23	26%	0.264	C	S	.	.	S	Bend	trans	-151.8	162.7	173.4	77.2	0	0	0	0	112.1	C161 R166 H177	C161-C164 CarbonylContact C-O 3.46Å; C161-C164 WeakPolarHBondContact CB-O 3.35Å; C164-R166 PolarHBondContact O-N 3.34Å; C164-H177 VanDerWaalsContact SG-CE1 3.53Å; C164-H177 PolarHBondContact SG-NE2 3.23Å
165	N	70.5	Confident	69	Low	152 Å²	152	44.5 Å²	44.5	81%	0.813	25%	0.247	S	C	*	.	S	Bend	trans	-77.9	29.1	-174.9	-61	-35.4	0	0	0	114.4
166	R	64.3	Low	69.2	Low	74 Å²	74	40.6 Å²	40.6	28%	0.279	23%	0.229	S	C	.	.			trans	-93.9	139	-178.4	-69.9	-174	171.3	-173.8	-1.3	111.9	Q160 C161 C164 F168	Q160-R166 WeakPolarHBondContact CA-O 3.15Å; C161-R166 PolarHBondContact N-O 3.47Å; C164-R166 PolarHBondContact O-N 3.34Å; R166-F168 HydrophobicContact CB-CE2 3.76Å; R166-F168 HydrophobicContact CB-CZ 3.91Å
167	N	68.2	Low	69.6	Low	37 Å²	37	39.4 Å²	39.4	20%	0.198	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	138.3	176.6	-63.1	-38.1	0	0	0	111.1	N158 Y159 Q160	N158-N167 HydrophobicContact CB-CB 4.35Å; Y159-N167 CarbonylContact O-C 3.45Å; Q160-N167 WeakPolarHBondContact CB-OD1 3.37Å; Q160-N167 WeakPolarHBondContact CG-OD1 3.43Å
168	F	64.7	Low	69.7	Low	3 Å²	3	39.2 Å²	39.2	1%	0.013	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142.5	-178.7	-60.8	-88.5	0	0	0	111	Y159 C161 R166 C170 N173 L174 H177	Y159-F168 PolarHBondContact N-O 3.32Å; Y159-F168 WeakPolarHBondContact O-CD2 3.45Å; Y159-F168 PolarHBondContact O-N 3.26Å; C161-F168 HydrophobicContact CB-CE2 4.34Å; R166-F168 HydrophobicContact CB-CE2 3.76Å; R166-F168 HydrophobicContact CB-CZ 3.91Å; F168-C170 VanDerWaalsContact C-N 3.3Å; F168-C170 PolarHBondContact O-N 3.42Å; F168-N173 HydrophobicContact CB-CB 4.25Å; F168-N173 HydrophobicContact CD1-CB 3.9Å; F168-N173 HydrophobicContact CG-CB 4.43Å; F168-L174 HydrophobicContact CB-CB 4.05Å; F168-L174 HydrophobicContact CD2-CB 3.78Å; F168-L174 HydrophobicContact CD2-CD1 3.61Å; F168-L174 HydrophobicContact CD2-CG 4.27Å; F168-L174 HydrophobicContact CE2-CD1 3.77Å; F168-L174 HydrophobicContact CG-CB 3.99Å; F168-H177 HydrophobicContact CD1-CB 4.5Å; F168-H177 HydrophobicContact CE1-CB 3.58Å; F168-H177 AromaticContact CE1-CG 3.94Å; F168-H177 HydrophobicContact CE2-CB 3.95Å; F168-H177 AromaticContact CE2-CD2 3.4Å; F168-H177 WeakPolarHBondContact CE2-CD2 3.18Å; F168-H177 AromaticContact CE2-CG 3.69Å; F168-H177 HydrophobicContact CZ-CB 3.27Å; F168-H177 AromaticContact CZ-CD2 3.35Å; F168-H177 WeakPolarHBondContact CZ-CD2 3.42Å; F168-H177 AromaticContact CZ-CG 3.13Å; F168-H177 AromaticContact CZ-ND1 3.71Å; F168-H177 AromaticContact CZ-NE2 3.99Å
169	A	63.6	Low	69.7	Low	5 Å²	5	41 Å²	41	4%	0.041	22%	0.222	C	C	.	.	S	Bend	trans	-66	-35.2	179.5	0	0	0	0	0	112.2	G65 I67 L148 T152	G65-A169 WeakPolarHBondContact O-CA 3.38Å; G65-A169 WeakPolarHBondContact O-CB 3.26Å; G65-A169 PolarHBondContact O-N 3.23Å; I67-A169 HydrophobicContact CD1-CB 4.38Å; I67-A169 VanDerWaalsContact CG1-CA 3.4Å; I67-A169 HydrophobicContact CG1-CB 3.63Å; L148-A169 HydrophobicContact CD1-CB 3.78Å; L148-A169 WeakPolarHBondContact CD1-O 3.36Å; L148-A169 HydrophobicContact CD2-CB 3.9Å; L148-A169 HydrophobicContact CG-CB 3.91Å; T152-A169 HydrophobicContact CG2-CB 3.67Å
170	C	64.9	Low	69.3	Low	27 Å²	27	42 Å²	42	18%	0.182	23%	0.231	C	C	.	.	S	Bend	trans	-137.3	155.5	-177.5	61.3	0	0	0	0	112.1	L148 Y159 F168 S172 N173 L174	L148-C170 HydrophobicContact CD1-CB 3.97Å; Y159-C170 VanDerWaalsContact CD2-C 3.46Å; F168-C170 VanDerWaalsContact C-N 3.3Å; F168-C170 PolarHBondContact O-N 3.42Å; C170-S172 VanDerWaalsContact C-N 3.3Å; C170-S172 PolarHBondContact O-N 2.84Å; C170-S172 PolarHBondContact SG-OG 2.88Å; C170-N173 PolarHBondContact O-N 3.38Å; C170-N173 VanDerWaalsContact O-N 3.14Å; C170-N173 PolarHBondContact SG-ND2 2.96Å; C170-N173 PolarHBondContact SG-OD1 2.07Å; C170-L174 PolarHBondContact O-N 3.15Å
171	K	73	Confident	69.2	Low	54 Å²	54	42.7 Å²	42.7	24%	0.235	23%	0.234	C	C	.	.	H	α-helix	trans	-57.8	-37.2	-178.6	-174.2	-175.9	174.4	-173.9	0	113.4	I46 K47 Y159 N173 L174 L175	I46-K171 VanDerWaalsContact CA-CE 3.48Å; I46-K171 HydrophobicContact CD1-CG 4.45Å; I46-K171 HydrophobicContact CG1-CG 4.33Å; I46-K171 HydrophobicContact CG2-CD 4.1Å; I46-K171 HydrophobicContact CG2-CG 3.91Å; K47-K171 PolarHBondContact O-NZ 2.81Å; Y159-K171 HydrophobicContact CD1-CB 4.29Å; Y159-K171 HydrophobicContact CE1-CB 3.96Å; Y159-K171 HydrophobicContact CE1-CG 4.47Å; Y159-K171 HydrophobicContact CE2-CB 4.41Å; K171-N173 PolarHBondContact O-N 3.15Å; K171-L174 PolarHBondContact O-N 3.17Å; K171-L175 HydrophobicContact CG-CD1 4.44Å; K171-L175 PolarHBondContact O-N 3.05Å
172	S	67.7	Low	69.3	Low	38 Å²	38	44.6 Å²	44.6	27%	0.266	24%	0.242	S	C	.	.	H	α-helix	trans	-59.3	-39	178	44	0	0	0	0	111.9	C170 L175 Q176	C170-S172 VanDerWaalsContact C-N 3.3Å; C170-S172 PolarHBondContact O-N 2.84Å; C170-S172 PolarHBondContact SG-OG 2.88Å; S172-L175 PolarHBondContact O-N 3.33Å; S172-Q176 WeakPolarHBondContact O-CB 3.33Å; S172-Q176 PolarHBondContact O-N 3.41Å
173	N	66.6	Low	68.8	Low	18 Å²	18	45.2 Å²	45.2	10%	0.096	23%	0.231	C	C	.	.	H	α-helix	trans	-77.5	-37.7	-173.6	-64.3	8.1	0	0	0	110.8	E63 L64 G65 F168 C170 K171 Q176 H177	E63-N173 PolarHBondContact O-ND2 2.8Å; L64-N173 VanDerWaalsContact CA-ND2 3.28Å; L64-N173 WeakPolarHBondContact CA-ND2 3.3Å; L64-N173 HydrophobicContact CD2-CB 3.7Å; L64-N173 WeakPolarHBondContact CD2-O 3.35Å; L64-N173 PolarHBondContact O-ND2 2.91Å; G65-N173 VanDerWaalsContact CA-ND2 3.27Å; G65-N173 WeakPolarHBondContact CA-ND2 3.43Å; G65-N173 PolarHBondContact N-ND2 2.82Å; F168-N173 HydrophobicContact CB-CB 4.25Å; F168-N173 HydrophobicContact CD1-CB 3.9Å; F168-N173 HydrophobicContact CG-CB 4.43Å; C170-N173 PolarHBondContact O-N 3.38Å; C170-N173 VanDerWaalsContact O-N 3.14Å; C170-N173 PolarHBondContact SG-ND2 2.96Å; C170-N173 PolarHBondContact SG-OD1 2.07Å; K171-N173 PolarHBondContact O-N 3.15Å; N173-Q176 PolarHBondContact O-N 2.71Å; N173-H177 VanDerWaalsContact O-CB 3.28Å; N173-H177 WeakPolarHBondContact O-CB 3.39Å; N173-H177 PolarHBondContact O-N 3.39Å
174	L	72.6	Confident	68	Low	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.8	-47.3	169	173.7	59.6	0	0	0	111.3	I46 C161 F168 C170 K171 Q176 H177 I178	I46-L174 HydrophobicContact CD1-CD2 3.44Å; I46-L174 VanDerWaalsContact CD1-CD2 3.44Å; I46-L174 HydrophobicContact CD1-CG 4.36Å; C161-L174 HydrophobicContact CB-CD1 3.64Å; F168-L174 HydrophobicContact CB-CB 4.05Å; F168-L174 HydrophobicContact CD2-CB 3.78Å; F168-L174 HydrophobicContact CD2-CD1 3.61Å; F168-L174 HydrophobicContact CD2-CG 4.27Å; F168-L174 HydrophobicContact CE2-CD1 3.77Å; F168-L174 HydrophobicContact CG-CB 3.99Å; C170-L174 PolarHBondContact O-N 3.15Å; K171-L174 PolarHBondContact O-N 3.17Å; L174-Q176 PolarHBondContact O-N 3.39Å; L174-H177 WeakPolarHBondContact O-CB 3.24Å; L174-H177 PolarHBondContact O-N 2.9Å; L174-I178 HydrophobicContact CD1-CD1 3.82Å; L174-I178 HydrophobicContact CD1-CG1 4.02Å; L174-I178 HydrophobicContact CG-CD1 3.88Å; L174-I178 HydrophobicContact CG-CG1 4.48Å; L174-I178 WeakPolarHBondContact O-CG1 3.28Å; L174-I178 PolarHBondContact O-N 3.21Å
175	L	72.4	Confident	66.9	Low	21 Å²	21	56.3 Å²	56.3	11%	0.11	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-43.4	179.3	-79.7	174.8	0	0	0	112.6	I46 V48 F53 K171 S172 H177 I178 H179	I46-L175 HydrophobicContact CG2-CD1 3.79Å; I46-L175 HydrophobicContact CG2-CD2 3.51Å; I46-L175 HydrophobicContact CG2-CG 3.68Å; V48-L175 HydrophobicContact CG2-CD2 4.22Å; F53-L175 HydrophobicContact CE1-CB 4.11Å; F53-L175 HydrophobicContact CE2-CB 4.37Å; F53-L175 HydrophobicContact CZ-CB 3.54Å; F53-L175 HydrophobicContact CZ-CD1 4.16Å; F53-L175 HydrophobicContact CZ-CG 4.48Å; K171-L175 HydrophobicContact CG-CD1 4.44Å; K171-L175 PolarHBondContact O-N 3.05Å; S172-L175 PolarHBondContact O-N 3.33Å; L175-H177 VanDerWaalsContact C-N 3.34Å; L175-I178 PolarHBondContact O-N 3.25Å; L175-H179 WeakPolarHBondContact O-CB 3.37Å; L175-H179 PolarHBondContact O-N 3.21Å
176	Q	68.2	Low	65.7	Low	27 Å²	27	55.3 Å²	55.3	13%	0.126	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-40.5	175.7	-179.3	171	84.4	0	0	111.3	F53 V59 L64 S172 N173 L174 H179 V180	F53-Q176 HydrophobicContact CD1-CB 3.83Å; F53-Q176 HydrophobicContact CD1-CG 4.28Å; F53-Q176 HydrophobicContact CE1-CB 3.9Å; V59-Q176 HydrophobicContact CG1-CG 4.09Å; L64-Q176 HydrophobicContact CD2-CB 3.87Å; L64-Q176 HydrophobicContact CD2-CG 3.93Å; S172-Q176 WeakPolarHBondContact O-CB 3.33Å; S172-Q176 PolarHBondContact O-N 3.41Å; N173-Q176 PolarHBondContact O-N 2.71Å; L174-Q176 PolarHBondContact O-N 3.39Å; Q176-H179 PolarHBondContact O-N 2.81Å; Q176-V180 HydrophobicContact CG-CG2 4.33Å; Q176-V180 WeakPolarHBondContact O-CB 3.49Å; Q176-V180 VanDerWaalsContact O-CG2 3.25Å; Q176-V180 WeakPolarHBondContact O-CG2 3.42Å; Q176-V180 PolarHBondContact O-N 3.22Å
177	H	73.9	Confident	64.1	Low	4 Å²	4	57.2 Å²	57.2	2%	0.019	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-47.5	172.9	162.2	69.6	0	0	0	112.1	C164 F168 N173 L174 L175 H179 V180 F181 H182	C164-H177 VanDerWaalsContact SG-CE1 3.53Å; C164-H177 PolarHBondContact SG-NE2 3.23Å; F168-H177 HydrophobicContact CD1-CB 4.5Å; F168-H177 HydrophobicContact CE1-CB 3.58Å; F168-H177 AromaticContact CE1-CG 3.94Å; F168-H177 HydrophobicContact CE2-CB 3.95Å; F168-H177 AromaticContact CE2-CD2 3.4Å; F168-H177 WeakPolarHBondContact CE2-CD2 3.18Å; F168-H177 AromaticContact CE2-CG 3.69Å; F168-H177 HydrophobicContact CZ-CB 3.27Å; F168-H177 AromaticContact CZ-CD2 3.35Å; F168-H177 WeakPolarHBondContact CZ-CD2 3.42Å; F168-H177 AromaticContact CZ-CG 3.13Å; F168-H177 AromaticContact CZ-ND1 3.71Å; F168-H177 AromaticContact CZ-NE2 3.99Å; N173-H177 VanDerWaalsContact O-CB 3.28Å; N173-H177 WeakPolarHBondContact O-CB 3.39Å; N173-H177 PolarHBondContact O-N 3.39Å; L174-H177 WeakPolarHBondContact O-CB 3.24Å; L174-H177 PolarHBondContact O-N 2.9Å; L175-H177 VanDerWaalsContact C-N 3.34Å; H177-H179 VanDerWaalsContact C-N 3.3Å; H177-H179 PolarHBondContact O-N 3Å; H177-V180 PolarHBondContact O-N 2.93Å; H177-F181 AromaticContact ND1-CD2 3.33Å; H177-F181 VanDerWaalsContact ND1-CD2 3.33Å; H177-F181 WeakPolarHBondContact ND1-CD2 3.26Å; H177-F181 AromaticContact ND1-CG 3.8Å; H177-F181 WeakPolarHBondContact O-CB 3.04Å; H177-F181 WeakPolarHBondContact O-CD2 3.11Å; H177-F181 PolarHBondContact O-N 2.96Å; H177-H182 AromaticContact CD2-CD2 3.93Å; H177-H182 AromaticContact CE1-CD2 3.78Å; H177-H182 AromaticContact CE1-NE2 3.48Å; H177-H182 PolarHBondContact CE1-NE2 3.49Å; H177-H182 AromaticContact NE2-CD2 3.35Å; H177-H182 PolarHBondContact NE2-CD2 2.81Å; H177-H182 AromaticContact NE2-NE2 3.13Å; H177-H182 PolarHBondContact NE2-NE2 3.09Å; H177-H182 VanDerWaalsContact NE2-NE2 3.13Å
178	I	70.7	Confident	62.3	Low	31 Å²	31	70.4 Å²	70.4	16%	0.159	33%	0.334	C	S	.	.	I	π-helix	trans	-59.3	-46.1	175.8	-66.9	165.7	0	0	0	109.6	E43 L174 L175 V180 H182 N183	E43-I178 WeakPolarHBondContact OE1-CD1 3.42Å; L174-I178 HydrophobicContact CD1-CD1 3.82Å; L174-I178 HydrophobicContact CD1-CG1 4.02Å; L174-I178 HydrophobicContact CG-CD1 3.88Å; L174-I178 HydrophobicContact CG-CG1 4.48Å; L174-I178 WeakPolarHBondContact O-CG1 3.28Å; L174-I178 PolarHBondContact O-N 3.21Å; L175-I178 PolarHBondContact O-N 3.25Å; I178-V180 PolarHBondContact O-N 2.95Å; I178-H182 HydrophobicContact CG2-CB 4.14Å; I178-H182 CarbonylContact O-C 3.44Å; I178-H182 WeakPolarHBondContact O-CA 3.27Å; I178-H182 VanDerWaalsContact O-CB 3.3Å; I178-H182 WeakPolarHBondContact O-CB 3.32Å; I178-H182 PolarHBondContact O-N 2.98Å; I178-N183 PolarHBondContact O-N 3.49Å
179	H	70.2	Confident	62.2	Low	50 Å²	50	73.8 Å²	73.8	23%	0.231	35%	0.351	C	S	.	.	I	π-helix	trans	-58.6	-45.2	179.5	-175	74.3	0	0	0	112.9	L175 Q176 H177 L186	L175-H179 WeakPolarHBondContact O-CB 3.37Å; L175-H179 PolarHBondContact O-N 3.21Å; Q176-H179 PolarHBondContact O-N 2.81Å; H177-H179 VanDerWaalsContact C-N 3.3Å; H177-H179 PolarHBondContact O-N 3Å; H179-L186 VanDerWaalsContact CE1-CD1 3.43Å; H179-L186 WeakPolarHBondContact CE1-CD1 3.35Å
180	V	62.5	Low	62.1	Low	53 Å²	53	77.4 Å²	77.4	32%	0.321	37%	0.367	S	S	.	.	I	π-helix	trans	-81.1	-39.3	-174.6	175.6	0	0	0	0	112.5	P56 V59 Q176 H177 I178	P56-V180 HydrophobicContact CB-CG2 4.14Å; V59-V180 HydrophobicContact CG2-CG2 4.31Å; Q176-V180 HydrophobicContact CG-CG2 4.33Å; Q176-V180 WeakPolarHBondContact O-CB 3.49Å; Q176-V180 VanDerWaalsContact O-CG2 3.25Å; Q176-V180 WeakPolarHBondContact O-CG2 3.42Å; Q176-V180 PolarHBondContact O-N 3.22Å; H177-V180 PolarHBondContact O-N 2.93Å; I178-V180 PolarHBondContact O-N 2.95Å
181	F	68.1	Low	62	Low	87 Å²	87	80.2 Å²	80.2	38%	0.382	38%	0.377	S	S	.	.	I	π-helix	trans	-105	-25.3	-169.5	-67.6	-85.8	0	0	0	114.2	H177	H177-F181 AromaticContact ND1-CD2 3.33Å; H177-F181 VanDerWaalsContact ND1-CD2 3.33Å; H177-F181 WeakPolarHBondContact ND1-CD2 3.26Å; H177-F181 AromaticContact ND1-CG 3.8Å; H177-F181 WeakPolarHBondContact O-CB 3.04Å; H177-F181 WeakPolarHBondContact O-CD2 3.11Å; H177-F181 PolarHBondContact O-N 2.96Å
182	H	73	Confident	61.3	Low	44 Å²	44	81.7 Å²	81.7	20%	0.204	39%	0.385	C	S	.	.	I	π-helix	trans	-115.3	-33.1	-172.4	-69.8	-60.8	0	0	0	113	Q163 H177 I178 R184	Q163-H182 WeakPolarHBondContact CB-CE1 3.34Å; Q163-H182 VanDerWaalsContact CB-ND1 3.31Å; Q163-H182 WeakPolarHBondContact CB-ND1 3.5Å; Q163-H182 VanDerWaalsContact OE1-CB 3.23Å; Q163-H182 VanDerWaalsContact OE1-CG 3.28Å; Q163-H182 PolarHBondContact OE1-ND1 2.73Å; H177-H182 AromaticContact CD2-CD2 3.93Å; H177-H182 AromaticContact CE1-CD2 3.78Å; H177-H182 AromaticContact CE1-NE2 3.48Å; H177-H182 PolarHBondContact CE1-NE2 3.49Å; H177-H182 AromaticContact NE2-CD2 3.35Å; H177-H182 PolarHBondContact NE2-CD2 2.81Å; H177-H182 AromaticContact NE2-NE2 3.13Å; H177-H182 PolarHBondContact NE2-NE2 3.09Å; H177-H182 VanDerWaalsContact NE2-NE2 3.13Å; I178-H182 HydrophobicContact CG2-CB 4.14Å; I178-H182 CarbonylContact O-C 3.44Å; I178-H182 WeakPolarHBondContact O-CA 3.27Å; I178-H182 VanDerWaalsContact O-CB 3.3Å; I178-H182 WeakPolarHBondContact O-CB 3.32Å; I178-H182 PolarHBondContact O-N 2.98Å; H182-R184 VanDerWaalsContact C-N 3.33Å; H182-R184 PolarHBondContact O-N 3.2Å
183	N	65.5	Low	60.9	Low	75 Å²	75	84.4 Å²	84.4	40%	0.401	39%	0.393	S	S	.	.			trans	-88	73.3	-178.5	-146.2	36	0	0	0	110.3	I178 E185	I178-N183 PolarHBondContact O-N 3.49Å; N183-E185 PolarHBondContact O-N 3.3Å
184	R	56	Low	60.5	Low	213 Å²	213	88.9 Å²	88.9	80%	0.804	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-66.7	3.1	174.6	-67.7	-166.8	-177.5	-150.5	3.5	114.2	H182 L186 C187	H182-R184 VanDerWaalsContact C-N 3.33Å; H182-R184 PolarHBondContact O-N 3.2Å; R184-L186 PolarHBondContact O-N 2.82Å; R184-C187 PolarHBondContact O-N 3.41Å; R184-C187 VanDerWaalsContact O-N 3.12Å
185	E	48.7	Very low	59.7	Low	169 Å²	169	95.2 Å²	95.2	79%	0.79	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-65.8	1	178.5	-64	-71.7	137.3	0	0	114.5	N183	N183-E185 PolarHBondContact O-N 3.3Å
186	L	43.9	Very low	58.7	Low	131 Å²	131	100.9 Å²	100.9	69%	0.686	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-99.2	5.5	171	-78	169.5	0	0	0	114.2	H179 R184	H179-L186 VanDerWaalsContact CE1-CD1 3.43Å; H179-L186 WeakPolarHBondContact CE1-CD1 3.35Å; R184-L186 PolarHBondContact O-N 2.82Å
187	C	31.5	Very low	57.9	Low	115 Å²	115	107.1 Å²	107.1	78%	0.777	50%	0.496	S	S	*	.			trans	-111.3	98.7	171.4	-153.3	0	0	0	0	109.3	R184	R184-C187 PolarHBondContact O-N 3.41Å; R184-C187 VanDerWaalsContact O-N 3.12Å
188	R	30.8	Very low	56.4	Low	313 Å²	313	116.5 Å²	116.5	100%	1.181	54%	0.54	S	S	*	.			trans	-73.7	0	172.7	-154.1	-177.8	-166.1	172	4.2	111.4

Retrieved 188 of 188 residues in 103.8 ms (Link to these results)

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