A0A5K4FD38_SCHMA Loading...

NTR domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FD38, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 229 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	48.3	Very low	47.3	Very low	195 Å²	195	133.4 Å²	133.4	96%	0.961	65%	0.652	S	S	*	*				0	-23.7	0	-100.6	172.4	74	0	0	115.4	T3 Y5	M1-T3 PolarHBondContact O-N 3.13Å; M1-Y5 WeakPolarHBondContact O-CD2 3.42Å
2	K	44.5	Very low	47.1	Very low	195 Å²	195	137.6 Å²	137.6	85%	0.848	66%	0.658	S	S	*	*	H	α-helix	trans	-71	-23.8	-178.5	-80.4	-178.6	172.9	179.7	0	115.6
3	T	48.7	Very low	47	Very low	115 Å²	115	136.5 Å²	136.5	71%	0.706	66%	0.658	S	S	*	*	H	α-helix	trans	-80.2	-24.4	-176.7	-34.5	0	0	0	0	113.7	M1	M1-T3 PolarHBondContact O-N 3.13Å
4	L	43.7	Very low	46.8	Very low	127 Å²	127	137.3 Å²	137.3	67%	0.665	66%	0.66	S	S	*	*	H	α-helix	trans	-72.4	-30.2	-179.6	-132.6	88.8	0	0	0	112.5	L6 F7 M8	L4-L6 VanDerWaalsContact C-N 3.34Å; L4-L6 PolarHBondContact O-N 3.42Å; L4-F7 PolarHBondContact O-N 2.79Å; L4-M8 PolarHBondContact O-N 2.54Å
5	Y	45.9	Very low	46.1	Very low	146 Å²	146	135.3 Å²	135.3	57%	0.573	65%	0.654	S	S	*	*	H	α-helix	trans	-69	-31	179.6	-78	-80.8	0	0	0	112.9	M1 L9	M1-Y5 WeakPolarHBondContact O-CD2 3.42Å; Y5-L9 PolarHBondContact O-N 3.02Å
6	L	46.5	Very low	45.9	Very low	113 Å²	113	134.1 Å²	134.1	59%	0.592	66%	0.657	S	S	*	*	H	α-helix	trans	-69.7	-37.1	178.3	-126.1	89.9	0	0	0	111.7	L4 L9 F10	L4-L6 VanDerWaalsContact C-N 3.34Å; L4-L6 PolarHBondContact O-N 3.42Å; L6-L9 PolarHBondContact O-N 3.48Å; L6-F10 WeakPolarHBondContact O-CD2 3.17Å; L6-F10 PolarHBondContact O-N 3.23Å
7	F	49.9	Very low	45.3	Very low	165 Å²	165	136.1 Å²	136.1	72%	0.724	67%	0.667	S	S	*	*	H	α-helix	trans	-70.6	-35.4	178	-99.4	-88.1	0	0	0	113	L4 S11	L4-F7 PolarHBondContact O-N 2.79Å; F7-S11 PolarHBondContact O-N 3.13Å; F7-S11 PolarHBondContact O-OG 3.33Å
8	M	48.2	Very low	45	Very low	112 Å²	112	136.9 Å²	136.9	55%	0.552	67%	0.667	S	S	*	*	H	α-helix	trans	-68.6	-34.3	174.7	-87.8	-158.6	-80.9	0	0	112.9	L4 S11 Y12	L4-M8 PolarHBondContact O-N 2.54Å; M8-S11 PolarHBondContact O-OG 2.7Å; M8-Y12 PolarHBondContact O-N 3.09Å
9	L	48	Very low	44.5	Very low	107 Å²	107	136.4 Å²	136.4	56%	0.56	67%	0.666	S	S	*	*	H	α-helix	trans	-71	-36.4	176.7	-81.1	160.9	0	0	0	112.5	Y5 L6 Y12 L13	Y5-L9 PolarHBondContact O-N 3.02Å; L6-L9 PolarHBondContact O-N 3.48Å; L9-Y12 PolarHBondContact O-N 3.3Å; L9-L13 PolarHBondContact O-N 3.21Å; L9-L13 VanDerWaalsContact O-N 3.11Å
10	F	49.2	Very low	44.1	Very low	132 Å²	132	136.6 Å²	136.6	58%	0.579	68%	0.676	S	S	*	*	H	α-helix	trans	-69.9	-35.7	178	-95.8	-87.3	0	0	0	113.3	L6 L13 Q14	L6-F10 WeakPolarHBondContact O-CD2 3.17Å; L6-F10 PolarHBondContact O-N 3.23Å; F10-L13 PolarHBondContact O-N 3.42Å; F10-Q14 PolarHBondContact O-N 3.04Å
11	S	47	Very low	43.8	Very low	60 Å²	60	134.8 Å²	134.8	42%	0.42	68%	0.675	S	S	.	*	H	α-helix	trans	-76.6	-23	177.5	37.2	0	0	0	0	113.3	F7 M8 N15	F7-S11 PolarHBondContact O-N 3.13Å; F7-S11 PolarHBondContact O-OG 3.33Å; M8-S11 PolarHBondContact O-OG 2.7Å; S11-N15 PolarHBondContact O-ND2 3.4Å; S11-N15 VanDerWaalsContact O-ND2 3.09Å
12	Y	45.6	Very low	43.5	Very low	184 Å²	184	130.4 Å²	130.4	72%	0.722	66%	0.664	S	S	*	*	H	α-helix	trans	-76	-38.5	169.6	-114.9	-92.5	0	0	0	112.6	M8 L9 N15	M8-Y12 PolarHBondContact O-N 3.09Å; L9-Y12 PolarHBondContact O-N 3.3Å; Y12-N15 PolarHBondContact O-N 3.15Å
13	L	45.7	Very low	43.7	Very low	124 Å²	124	129.4 Å²	129.4	65%	0.649	66%	0.662	S	S	*	*	H	α-helix	trans	-72	-31.4	-179.1	-80.6	162	0	0	0	113.5	L9 F10 N15	L9-L13 PolarHBondContact O-N 3.21Å; L9-L13 VanDerWaalsContact O-N 3.11Å; F10-L13 PolarHBondContact O-N 3.42Å; L13-N15 VanDerWaalsContact C-N 3.33Å
14	Q	43.6	Very low	43.7	Very low	147 Å²	147	132.4 Å²	132.4	69%	0.687	67%	0.668	S	S	*	*	H	α-helix	trans	-73.3	-24.2	177.2	-79.9	178.7	-33.3	0	0	113.5	F10	F10-Q14 PolarHBondContact O-N 3.04Å
15	N	36.4	Very low	44.6	Very low	107 Å²	107	129.6 Å²	129.6	57%	0.572	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	4.3	179.3	-77.5	-52.3	0	0	0	114.4	S11 Y12 L13 F18	S11-N15 PolarHBondContact O-ND2 3.4Å; S11-N15 VanDerWaalsContact O-ND2 3.09Å; Y12-N15 PolarHBondContact O-N 3.15Å; L13-N15 VanDerWaalsContact C-N 3.33Å; N15-F18 VanDerWaalsContact O-CD2 3.27Å; N15-F18 WeakPolarHBondContact O-CD2 3.31Å
16	V	43.8	Very low	46.3	Very low	116 Å²	116	129.4 Å²	129.4	70%	0.703	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	6.7	168.7	-168.3	0	0	0	0	111.3	F18	V16-F18 PolarHBondContact O-N 3.11Å
17	M	35.4	Very low	48.3	Very low	168 Å²	168	127.2 Å²	127.2	83%	0.828	65%	0.653	S	S	*	*			trans	-81.4	29.1	163.8	-156.5	178.2	-77.4	0	0	111.6	I19	M17-I19 PolarHBondContact O-N 2.94Å
18	F	39.2	Very low	50.3	Low	152 Å²	152	121.2 Å²	121.2	67%	0.667	63%	0.628	S	S	*	*	S	Bend	trans	-80.9	94.2	162.1	-79.5	-79.2	0	0	0	108.3	N15 V16	N15-F18 VanDerWaalsContact O-CD2 3.27Å; N15-F18 WeakPolarHBondContact O-CD2 3.31Å; V16-F18 PolarHBondContact O-N 3.11Å
19	I	36.3	Very low	52.5	Low	126 Å²	126	118.1 Å²	118.1	65%	0.646	61%	0.613	S	S	*	*			trans	48	87.1	139.4	-47.1	171.5	0	0	0	111.4	M17 C21	M17-I19 PolarHBondContact O-N 2.94Å; I19-C21 HydrophobicContact CG2-CB 4.33Å; I19-C21 PolarHBondContact O-N 3.45Å
20	T	36.9	Very low	54.6	Low	141 Å²	141	115.8 Å²	115.8	87%	0.865	60%	0.601	S	S	*	*			trans	-57.7	79.9	144.8	43.7	0	0	0	0	106.8	S22	T20-S22 PolarHBondContact O-N 3.35Å
21	C	37.9	Very low	56.7	Low	98 Å²	98	110.7 Å²	110.7	66%	0.662	58%	0.581	S	S	*	*			trans	-56.3	97.7	148.5	-97.3	0	0	0	0	101.4	I19 Q23	I19-C21 HydrophobicContact CG2-CB 4.33Å; I19-C21 PolarHBondContact O-N 3.45Å; C21-Q23 PolarHBondContact O-N 3.1Å
22	S	42	Very low	58.9	Low	104 Å²	104	108.4 Å²	108.4	73%	0.727	56%	0.564	S	S	*	*			trans	-58	86.2	159.9	58.8	0	0	0	0	103.9	T20 E24	T20-S22 PolarHBondContact O-N 3.35Å; S22-E24 PolarHBondContact O-N 2.66Å
23	Q	48	Very low	61	Low	174 Å²	174	106.9 Å²	106.9	81%	0.813	56%	0.557	S	S	*	*			trans	-61.4	91.1	155.8	-70.9	-168	-7	0	0	101.9	C21 S25	C21-Q23 PolarHBondContact O-N 3.1Å; Q23-S25 PolarHBondContact O-N 2.9Å
24	E	49.4	Very low	63.1	Low	178 Å²	178	103.1 Å²	103.1	83%	0.832	54%	0.541	S	S	*	.			trans	-44.9	108.9	153.3	-84.2	-169.4	157.9	0	0	103.6	S22 K26	S22-E24 PolarHBondContact O-N 2.66Å; E24-K26 PolarHBondContact O-N 3.34Å
25	S	61.2	Low	65.3	Low	68 Å²	68	97 Å²	97	48%	0.476	51%	0.514	S	S	.	.			trans	-64.8	95.5	-170.4	52.9	0	0	0	0	106	Q23 T27 I86	Q23-S25 PolarHBondContact O-N 2.9Å; S25-T27 PolarHBondContact O-N 2.96Å; S25-T27 VanDerWaalsContact O-N 3.09Å; S25-I86 VanDerWaalsContact OG-CG2 3.24Å; S25-I86 WeakPolarHBondContact OG-CG2 3.24Å
26	K	81.7	Confident	67.9	Low	142 Å²	142	94.4 Å²	94.4	62%	0.617	50%	0.502	S	S	*	.			trans	-57.5	120.2	-167.4	-177.6	177.8	-179.9	175.9	0	108.5	E24 L28 G87	E24-K26 PolarHBondContact O-N 3.34Å; K26-L28 HydrophobicContact CD-CD2 4.26Å; K26-L28 HydrophobicContact CG-CD2 4.28Å; K26-L28 PolarHBondContact O-N 2.87Å; K26-G87 PolarHBondContact O-N 2.9Å
27	T	88	Confident	70.1	Confident	66 Å²	66	92.6 Å²	92.6	41%	0.405	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	124.7	172.8	-52.5	0	0	0	0	109.2	S25 I29 S84 L85	S25-T27 PolarHBondContact O-N 2.96Å; S25-T27 VanDerWaalsContact O-N 3.09Å; T27-I29 HydrophobicContact CG2-CD1 4.25Å; T27-S84 WeakPolarHBondContact CG2-OG 3.37Å; T27-L85 CarbonylContact C-O 3.3Å; T27-L85 VanDerWaalsContact CA-O 3.28Å; T27-L85 WeakPolarHBondContact CA-O 3.46Å
28	L	92.6	Very high	72.8	Confident	39 Å²	39	90.5 Å²	90.5	20%	0.204	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	134.1	173.2	-62.7	-173	0	0	0	110.2	K26 L30 S84 L85 G87 K88	K26-L28 HydrophobicContact CD-CD2 4.26Å; K26-L28 HydrophobicContact CG-CD2 4.28Å; K26-L28 PolarHBondContact O-N 2.87Å; L28-L30 HydrophobicContact CB-CD1 4.21Å; L28-L30 HydrophobicContact CB-CG 4.26Å; L28-L30 HydrophobicContact CD1-CD1 4.35Å; L28-S84 CarbonylContact O-C 3.58Å; L28-S84 VanDerWaalsContact O-CA 3.28Å; L28-S84 WeakPolarHBondContact O-CA 3.38Å; L28-L85 PolarHBondContact N-O 2.77Å; L28-L85 PolarHBondContact O-N 3.09Å; L28-G87 VanDerWaalsContact CD1-O 3.28Å; L28-G87 WeakPolarHBondContact CD1-O 3.46Å; L28-G87 WeakPolarHBondContact CG-O 3.42Å; L28-K88 HydrophobicContact CD1-CB 4.28Å; L28-K88 HydrophobicContact CD1-CG 4.08Å
29	I	93.7	Very high	75.3	Confident	48 Å²	48	86.2 Å²	86.2	25%	0.246	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	115.8	174.6	-54	-60	0	0	0	108	T27 I82 E153 I154	T27-I29 HydrophobicContact CG2-CD1 4.25Å; I29-I82 HydrophobicContact CG2-CG2 3.32Å; I29-E153 HydrophobicContact CD1-CB 4.2Å; I29-E153 HydrophobicContact CG1-CB 4.25Å; I29-I154 HydrophobicContact CD1-CG1 4.09Å
30	L	93.7	Very high	78.1	Confident	57 Å²	57	80.2 Å²	80.2	30%	0.298	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	159.8	-170.5	-64.8	173	0	0	0	111.2	L28 I82 V83 L85	L28-L30 HydrophobicContact CB-CD1 4.21Å; L28-L30 HydrophobicContact CB-CG 4.26Å; L28-L30 HydrophobicContact CD1-CD1 4.35Å; L30-I82 WeakPolarHBondContact O-CA 3.48Å; L30-V83 HydrophobicContact CB-CG1 4.24Å; L30-V83 PolarHBondContact N-O 3.03Å; L30-V83 PolarHBondContact O-N 3.43Å; L30-L85 HydrophobicContact CD1-CD1 4.09Å
31	P	93.4	Very high	80.9	Confident	25 Å²	25	73.5 Å²	73.5	16%	0.162	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	152.5	169.9	-23.3	35	0	0	0	112.1	R33 S34	P31-R33 HydrophobicContact CB-CG 4.09Å; P31-R33 PolarHBondContact O-N 3.21Å; P31-R33 VanDerWaalsContact O-N 3.13Å; P31-S34 VanDerWaalsContact O-CB 3.3Å; P31-S34 WeakPolarHBondContact O-CB 3.26Å; P31-S34 PolarHBondContact O-N 3.22Å; P31-S34 PolarHBondContact O-OG 2.89Å
32	L	92.8	Very high	83.7	Confident	13 Å²	13	73.2 Å²	73.2	7%	0.068	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-55.2	-34.2	-178.8	179.6	61.4	0	0	0	113.4	S34 V35 A40 F73 A76 S81 L99	L32-S34 PolarHBondContact O-N 3.25Å; L32-V35 HydrophobicContact CD1-CG2 4.27Å; L32-V35 WeakPolarHBondContact O-CG2 3.38Å; L32-V35 PolarHBondContact O-N 2.65Å; L32-A40 HydrophobicContact CD1-CB 4.03Å; L32-F73 HydrophobicContact CD1-CD1 4.3Å; L32-F73 HydrophobicContact CD1-CE1 3.86Å; L32-F73 HydrophobicContact CD2-CD1 4Å; L32-F73 HydrophobicContact CD2-CE1 4.24Å; L32-A76 HydrophobicContact CD2-CB 4.38Å; L32-S81 PolarHBondContact N-O 3.44Å; L32-L99 HydrophobicContact CD2-CD1 3.8Å
33	R	90.4	Very high	86.3	Confident	152 Å²	152	69.6 Å²	69.6	57%	0.574	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-63.1	-10.5	176.9	65.5	174.7	177.3	-118.4	0.7	115.2	P31 V35 N79	P31-R33 HydrophobicContact CB-CG 4.09Å; P31-R33 PolarHBondContact O-N 3.21Å; P31-R33 VanDerWaalsContact O-N 3.13Å; R33-V35 VanDerWaalsContact C-N 3.26Å; R33-V35 PolarHBondContact O-N 3.48Å; R33-N79 PolarHBondContact NH1-OD1 3.08Å
34	S	89.7	Confident	88.7	Confident	44 Å²	44	61.3 Å²	61.3	31%	0.308	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-81.2	-2	-179.8	-62.7	0	0	0	0	114	P31 L32	P31-S34 VanDerWaalsContact O-CB 3.3Å; P31-S34 WeakPolarHBondContact O-CB 3.26Å; P31-S34 PolarHBondContact O-N 3.22Å; P31-S34 PolarHBondContact O-OG 2.89Å; L32-S34 PolarHBondContact O-N 3.25Å
35	V	89	Confident	91	Very high	19 Å²	19	52.8 Å²	52.8	12%	0.115	26%	0.258	C	S	.	.	S	Bend	trans	-123.6	156.4	178.9	-69.4	0	0	0	0	111.9	L32 R33 Y37 A40 V83 L85	L32-V35 HydrophobicContact CD1-CG2 4.27Å; L32-V35 WeakPolarHBondContact O-CG2 3.38Å; L32-V35 PolarHBondContact O-N 2.65Å; R33-V35 VanDerWaalsContact C-N 3.26Å; R33-V35 PolarHBondContact O-N 3.48Å; V35-Y37 PolarHBondContact O-N 2.66Å; V35-A40 HydrophobicContact CG2-CB 3.86Å; V35-V83 HydrophobicContact CG1-CB 4.38Å; V35-V83 HydrophobicContact CG1-CG1 3.76Å; V35-V83 HydrophobicContact CG1-CG2 3.88Å; V35-V83 HydrophobicContact CG2-CB 4.28Å; V35-V83 HydrophobicContact CG2-CG1 4.08Å; V35-V83 HydrophobicContact CG2-CG2 4.12Å; V35-L85 HydrophobicContact CG1-CD1 3.67Å; V35-L85 HydrophobicContact CG1-CD2 3.59Å; V35-L85 HydrophobicContact CG1-CG 3.92Å
36	V	90	Very high	92.7	Very high	53 Å²	53	52.3 Å²	52.3	32%	0.321	25%	0.25	S	C	.	.			trans	-63.9	122.7	172.3	-173.1	0	0	0	0	109	Y38 K39 A40	V36-Y38 HydrophobicContact CB-CE1 4.37Å; V36-Y38 HydrophobicContact CG1-CD1 3.44Å; V36-Y38 VanDerWaalsContact CG1-CD1 3.44Å; V36-Y38 HydrophobicContact CG1-CE1 3.24Å; V36-Y38 HydrophobicContact CG1-CG 4.4Å; V36-Y38 PolarHBondContact O-N 3.19Å; V36-K39 HydrophobicContact CB-CD 4.21Å; V36-K39 HydrophobicContact CB-CG 4.19Å; V36-K39 WeakPolarHBondContact O-CB 3.32Å; V36-K39 PolarHBondContact O-N 2.92Å; V36-A40 PolarHBondContact O-N 2.79Å
37	Y	90.4	Very high	93.5	Very high	78 Å²	78	48.8 Å²	48.8	31%	0.306	23%	0.234	S	C	.	.	H	α-helix	trans	-48	-52.4	-171.5	177.7	-90.9	0	0	0	113.9	V35 K39 A40 V41 Y70 F73 K74	V35-Y37 PolarHBondContact O-N 2.66Å; Y37-K39 VanDerWaalsContact C-N 3.27Å; Y37-K39 PolarHBondContact O-N 3.18Å; Y37-A40 PolarHBondContact O-N 2.91Å; Y37-A40 VanDerWaalsContact O-N 3.15Å; Y37-V41 HydrophobicContact CD1-CG2 4.15Å; Y37-V41 HydrophobicContact CE1-CG2 3.74Å; Y37-V41 WeakPolarHBondContact O-CG2 3.3Å; Y37-V41 PolarHBondContact O-N 3.28Å; Y37-V41 VanDerWaalsContact O-N 3.12Å; Y37-Y70 HydrophobicContact CD1-CE2 4.37Å; Y37-Y70 AromaticContact CE1-CD2 4Å; Y37-Y70 HydrophobicContact CE1-CD2 4Å; Y37-Y70 AromaticContact CE1-CE2 3.61Å; Y37-Y70 HydrophobicContact CE1-CE2 3.61Å; Y37-Y70 AromaticContact CE1-CZ 3.96Å; Y37-Y70 PolarHBondContact OH-O 3.31Å; Y37-F73 HydrophobicContact CE2-CB 3.69Å; Y37-F73 WeakPolarHBondContact OH-CB 3.35Å; Y37-K74 WeakPolarHBondContact OH-CG 3.4Å; Y37-K74 PolarHBondContact OH-N 2.98Å
38	Y	91.8	Very high	94	Very high	124 Å²	124	45.6 Å²	45.6	49%	0.486	22%	0.215	S	C	.	.	H	α-helix	trans	-64	-31.8	-176.8	74.5	-99.6	0	0	0	112.6	V36 A40 V41 E42	V36-Y38 HydrophobicContact CB-CE1 4.37Å; V36-Y38 HydrophobicContact CG1-CD1 3.44Å; V36-Y38 VanDerWaalsContact CG1-CD1 3.44Å; V36-Y38 HydrophobicContact CG1-CE1 3.24Å; V36-Y38 HydrophobicContact CG1-CG 4.4Å; V36-Y38 PolarHBondContact O-N 3.19Å; Y38-A40 VanDerWaalsContact C-N 3.33Å; Y38-A40 PolarHBondContact O-N 3.42Å; Y38-V41 PolarHBondContact O-N 2.91Å; Y38-E42 VanDerWaalsContact O-CB 3.27Å; Y38-E42 WeakPolarHBondContact O-CB 3.3Å; Y38-E42 PolarHBondContact O-N 3.05Å
39	K	93.1	Very high	94.2	Very high	61 Å²	61	47.4 Å²	47.4	27%	0.265	22%	0.22	S	C	.	.	H	α-helix	trans	-65.3	-40	177.5	-67.6	-172.2	173.6	-177.9	0	110.9	V36 Y37 F43 I94	V36-K39 HydrophobicContact CB-CD 4.21Å; V36-K39 HydrophobicContact CB-CG 4.19Å; V36-K39 WeakPolarHBondContact O-CB 3.32Å; V36-K39 PolarHBondContact O-N 2.92Å; Y37-K39 VanDerWaalsContact C-N 3.27Å; Y37-K39 PolarHBondContact O-N 3.18Å; K39-F43 VanDerWaalsContact O-CB 3.23Å; K39-F43 WeakPolarHBondContact O-CB 3.42Å; K39-F43 PolarHBondContact O-N 3.31Å; K39-I94 HydrophobicContact CB-CD1 3.99Å
40	A	94.6	Very high	94.3	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-68.4	-42.4	178	0	0	0	0	0	111.8	L32 V35 V36 Y37 Y38 L44 F73 I94	L32-A40 HydrophobicContact CD1-CB 4.03Å; V35-A40 HydrophobicContact CG2-CB 3.86Å; V36-A40 PolarHBondContact O-N 2.79Å; Y37-A40 PolarHBondContact O-N 2.91Å; Y37-A40 VanDerWaalsContact O-N 3.15Å; Y38-A40 VanDerWaalsContact C-N 3.33Å; Y38-A40 PolarHBondContact O-N 3.42Å; A40-L44 WeakPolarHBondContact O-CB 3.25Å; A40-L44 PolarHBondContact O-N 2.74Å; A40-F73 HydrophobicContact CB-CE1 3.7Å; A40-F73 HydrophobicContact CB-CZ 4.26Å; A40-F73 WeakPolarHBondContact O-CZ 3.18Å; A40-I94 HydrophobicContact CB-CD1 4.09Å
41	V	96.3	Very high	94.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-51.6	174.7	176.1	0	0	0	0	110.5	Y37 Y38 L44 T45 Y66 Y70 F73	Y37-V41 HydrophobicContact CD1-CG2 4.15Å; Y37-V41 HydrophobicContact CE1-CG2 3.74Å; Y37-V41 WeakPolarHBondContact O-CG2 3.3Å; Y37-V41 PolarHBondContact O-N 3.28Å; Y37-V41 VanDerWaalsContact O-N 3.12Å; Y38-V41 PolarHBondContact O-N 2.91Å; V41-L44 PolarHBondContact O-N 3.18Å; V41-T45 WeakPolarHBondContact O-CB 3.22Å; V41-T45 PolarHBondContact O-N 3.19Å; V41-T45 PolarHBondContact O-OG1 2.96Å; V41-Y66 HydrophobicContact CG1-CE2 4.35Å; V41-Y70 HydrophobicContact CG1-CD2 4.17Å; V41-Y70 HydrophobicContact CG2-CD2 4.42Å; V41-F73 HydrophobicContact CB-CD2 4.39Å; V41-F73 HydrophobicContact CB-CE2 4.42Å; V41-F73 HydrophobicContact CG2-CB 3.85Å; V41-F73 HydrophobicContact CG2-CD1 3.93Å; V41-F73 HydrophobicContact CG2-CD2 3.71Å; V41-F73 HydrophobicContact CG2-CE1 4.36Å; V41-F73 HydrophobicContact CG2-CE2 4.13Å; V41-F73 HydrophobicContact CG2-CG 3.58Å; V41-F73 HydrophobicContact CG2-CZ 4.45Å
42	E	96.3	Very high	94.4	Very high	92 Å²	92	50.7 Å²	50.7	43%	0.43	24%	0.238	S	C	.	.	H	α-helix	trans	-62	-48.1	-178.6	-178.1	176.4	-142.7	0	0	111.6	Y38 L44 T45 N46	Y38-E42 VanDerWaalsContact O-CB 3.27Å; Y38-E42 WeakPolarHBondContact O-CB 3.3Å; Y38-E42 PolarHBondContact O-N 3.05Å; E42-L44 PolarHBondContact O-N 3.37Å; E42-T45 PolarHBondContact O-N 2.89Å; E42-N46 WeakPolarHBondContact CG-ND2 3.32Å; E42-N46 VanDerWaalsContact O-CB 3.27Å; E42-N46 WeakPolarHBondContact O-CB 3.31Å; E42-N46 VanDerWaalsContact O-CG 3.22Å; E42-N46 PolarHBondContact O-N 2.9Å; E42-N46 PolarHBondContact O-ND2 2.97Å
43	F	97.1	Very high	94.5	Very high	27 Å²	27	51.6 Å²	51.6	12%	0.118	24%	0.244	C	C	.	.	H	α-helix	trans	-55.7	-55.2	176.7	174.1	-88.1	0	0	0	111.3	K39 T45 N46 K47 I94 V97	K39-F43 VanDerWaalsContact O-CB 3.23Å; K39-F43 WeakPolarHBondContact O-CB 3.42Å; K39-F43 PolarHBondContact O-N 3.31Å; F43-T45 PolarHBondContact O-N 2.97Å; F43-N46 PolarHBondContact O-N 3.49Å; F43-K47 HydrophobicContact CD1-CG 4.43Å; F43-K47 HydrophobicContact CD2-CG 4.2Å; F43-K47 HydrophobicContact CE1-CG 4.18Å; F43-K47 HydrophobicContact CE2-CD 4.44Å; F43-K47 HydrophobicContact CE2-CG 3.95Å; F43-K47 HydrophobicContact CG-CG 4.43Å; F43-K47 HydrophobicContact CZ-CG 3.94Å; F43-K47 VanDerWaalsContact O-CB 3.29Å; F43-K47 WeakPolarHBondContact O-CB 3.46Å; F43-K47 WeakPolarHBondContact O-CG 3.36Å; F43-K47 PolarHBondContact O-N 3.46Å; F43-I94 HydrophobicContact CB-CB 4.24Å; F43-I94 HydrophobicContact CB-CD1 4.2Å; F43-I94 HydrophobicContact CB-CG2 4.17Å; F43-I94 HydrophobicContact CD1-CB 4.35Å; F43-I94 HydrophobicContact CD1-CG2 3.5Å; F43-I94 HydrophobicContact CD2-CB 3.82Å; F43-I94 HydrophobicContact CD2-CG2 3.82Å; F43-I94 WeakPolarHBondContact CD2-O 3.26Å; F43-I94 HydrophobicContact CE1-CG2 3.78Å; F43-I94 HydrophobicContact CE2-CB 4.27Å; F43-I94 HydrophobicContact CE2-CG2 4.06Å; F43-I94 WeakPolarHBondContact CE2-O 3.37Å; F43-I94 HydrophobicContact CG-CB 3.87Å; F43-I94 HydrophobicContact CG-CG2 3.54Å; F43-I94 HydrophobicContact CZ-CG2 4.04Å; F43-V97 HydrophobicContact CD1-CG2 3.73Å; F43-V97 HydrophobicContact CE1-CG2 4.16Å
44	L	97.4	Very high	94.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.8	-41.9	-173.4	-174.5	60.5	0	0	0	110.6	A40 V41 E42 T48 M69 F73 V97 L99 M142 H144	A40-L44 WeakPolarHBondContact O-CB 3.25Å; A40-L44 PolarHBondContact O-N 2.74Å; V41-L44 PolarHBondContact O-N 3.18Å; E42-L44 PolarHBondContact O-N 3.37Å; L44-T48 HydrophobicContact CD1-CG2 3.74Å; L44-T48 HydrophobicContact CG-CG2 4.34Å; L44-T48 WeakPolarHBondContact O-CB 3.38Å; L44-T48 WeakPolarHBondContact O-CG2 3.39Å; L44-T48 PolarHBondContact O-N 3.49Å; L44-T48 PolarHBondContact O-OG1 2.84Å; L44-M69 HydrophobicContact CD2-CE 3.69Å; L44-M69 HydrophobicContact CG-CE 4.11Å; L44-F73 HydrophobicContact CB-CE2 4.13Å; L44-F73 HydrophobicContact CB-CZ 3.92Å; L44-F73 HydrophobicContact CD2-CE2 3.72Å; L44-F73 HydrophobicContact CD2-CZ 3.67Å; L44-F73 HydrophobicContact CG-CE2 4.46Å; L44-F73 HydrophobicContact CG-CZ 4.44Å; L44-V97 HydrophobicContact CB-CB 4.34Å; L44-V97 HydrophobicContact CD1-CB 4.2Å; L44-V97 HydrophobicContact CD2-CB 4.3Å; L44-V97 HydrophobicContact CD2-CG1 3.93Å; L44-L99 HydrophobicContact CD2-CB 4.01Å; L44-M142 HydrophobicContact CD1-CG 4.25Å; L44-M142 HydrophobicContact CD2-CB 4.11Å; L44-M142 HydrophobicContact CD2-CG 4.24Å; L44-M142 HydrophobicContact CG-CG 4.2Å; L44-H144 HydrophobicContact CD1-CB 3.81Å
45	T	97.7	Very high	94.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-52.3	178.4	-54.9	0	0	0	0	111	V41 E42 F43 K47 T48 Y49 Y62 Y65 Y66 M69	V41-T45 WeakPolarHBondContact O-CB 3.22Å; V41-T45 PolarHBondContact O-N 3.19Å; V41-T45 PolarHBondContact O-OG1 2.96Å; E42-T45 PolarHBondContact O-N 2.89Å; F43-T45 PolarHBondContact O-N 2.97Å; T45-K47 PolarHBondContact O-N 3.4Å; T45-T48 PolarHBondContact O-N 3.2Å; T45-T48 PolarHBondContact O-OG1 3.34Å; T45-Y49 WeakPolarHBondContact O-CB 3.46Å; T45-Y49 PolarHBondContact O-N 3.2Å; T45-Y62 HydrophobicContact CG2-CE2 4.2Å; T45-Y65 HydrophobicContact CG2-CD1 3.65Å; T45-Y65 HydrophobicContact CG2-CE1 3.77Å; T45-Y66 HydrophobicContact CG2-CD2 3.87Å; T45-Y66 HydrophobicContact CG2-CG 4.37Å; T45-M69 HydrophobicContact CG2-CG 4.46Å; T45-M69 WeakPolarHBondContact OG1-CB 3.23Å
46	N	97.8	Very high	95.1	Very high	58 Å²	58	48.8 Å²	48.8	31%	0.31	23%	0.229	S	C	.	.	H	α-helix	trans	-61.6	-44.6	-178	-72.6	-15.1	0	0	0	111.9	E42 F43 T50 Y62	E42-N46 WeakPolarHBondContact CG-ND2 3.32Å; E42-N46 VanDerWaalsContact O-CB 3.27Å; E42-N46 WeakPolarHBondContact O-CB 3.31Å; E42-N46 VanDerWaalsContact O-CG 3.22Å; E42-N46 PolarHBondContact O-N 2.9Å; E42-N46 PolarHBondContact O-ND2 2.97Å; F43-N46 PolarHBondContact O-N 3.49Å; N46-T50 PolarHBondContact O-N 2.77Å; N46-T50 PolarHBondContact O-OG1 2.98Å; N46-Y62 PolarHBondContact OD1-OH 2.96Å
47	K	97.8	Very high	95.4	Very high	67 Å²	67	49.8 Å²	49.8	29%	0.291	23%	0.232	S	C	.	.	H	α-helix	trans	-69.8	-38.8	-178.1	-68.1	-70.7	-174.6	153.6	0	112.8	F43 T45 T50 N51 H144 D146	F43-K47 HydrophobicContact CD1-CG 4.43Å; F43-K47 HydrophobicContact CD2-CG 4.2Å; F43-K47 HydrophobicContact CE1-CG 4.18Å; F43-K47 HydrophobicContact CE2-CD 4.44Å; F43-K47 HydrophobicContact CE2-CG 3.95Å; F43-K47 HydrophobicContact CG-CG 4.43Å; F43-K47 HydrophobicContact CZ-CG 3.94Å; F43-K47 VanDerWaalsContact O-CB 3.29Å; F43-K47 WeakPolarHBondContact O-CB 3.46Å; F43-K47 WeakPolarHBondContact O-CG 3.36Å; F43-K47 PolarHBondContact O-N 3.46Å; T45-K47 PolarHBondContact O-N 3.4Å; K47-T50 PolarHBondContact O-OG1 2.88Å; K47-N51 VanDerWaalsContact O-CB 3.27Å; K47-N51 WeakPolarHBondContact O-CB 3.33Å; K47-N51 PolarHBondContact O-N 3.24Å; K47-N51 VanDerWaalsContact O-N 3.14Å; K47-N51 PolarHBondContact O-ND2 2.82Å; K47-H144 HydrophobicContact CB-CB 4.08Å; K47-H144 WeakPolarHBondContact CB-CD2 3.33Å; K47-D146 WeakPolarHBondContact CE-OD1 3.19Å; K47-D146 IonicContact NZ-OD1 2.71Å; K47-D146 PolarHBondContact NZ-OD1 2.92Å
48	T	97.5	Very high	95.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-78	-39.5	179.5	53.4	0	0	0	0	112.7	L44 T45 T50 N51 E52 Y65 M142 H144	L44-T48 HydrophobicContact CD1-CG2 3.74Å; L44-T48 HydrophobicContact CG-CG2 4.34Å; L44-T48 WeakPolarHBondContact O-CB 3.38Å; L44-T48 WeakPolarHBondContact O-CG2 3.39Å; L44-T48 PolarHBondContact O-N 3.49Å; L44-T48 PolarHBondContact O-OG1 2.84Å; T45-T48 PolarHBondContact O-N 3.2Å; T45-T48 PolarHBondContact O-OG1 3.34Å; T48-T50 PolarHBondContact O-N 3.31Å; T48-T50 VanDerWaalsContact O-N 3.17Å; T48-N51 PolarHBondContact O-N 3.43Å; T48-E52 HydrophobicContact CG2-CB 4.18Å; T48-E52 VanDerWaalsContact O-CB 3.31Å; T48-E52 WeakPolarHBondContact O-CB 3.19Å; T48-E52 PolarHBondContact O-N 3.44Å; T48-Y65 WeakPolarHBondContact CB-OH 3.48Å; T48-Y65 PolarHBondContact OG1-OH 2.71Å; T48-M142 HydrophobicContact CG2-CG 3.6Å; T48-M142 HydrophobicContact CG2-SD 3.71Å; T48-H144 HydrophobicContact CG2-CB 4Å
49	Y	97.4	Very high	95.6	Very high	77 Å²	77	45.1 Å²	45.1	30%	0.302	23%	0.226	S	C	.	.	H	α-helix	trans	-55.7	-36.6	175.9	-172.6	-100.1	0	0	0	112.5	T45 V55 Y62 Y65	T45-Y49 WeakPolarHBondContact O-CB 3.46Å; T45-Y49 PolarHBondContact O-N 3.2Å; Y49-V55 HydrophobicContact CD2-CG1 4.13Å; Y49-Y62 AromaticContact CD1-CD2 3.73Å; Y49-Y62 HydrophobicContact CD1-CD2 3.73Å; Y49-Y62 HydrophobicContact CD1-CE2 4.43Å; Y49-Y62 HydrophobicContact CD2-CD2 4.06Å; Y49-Y62 AromaticContact CE1-CD2 3.92Å; Y49-Y62 HydrophobicContact CE1-CD2 3.92Å; Y49-Y62 HydrophobicContact CE2-CD2 4.24Å; Y49-Y62 AromaticContact CG-CD2 3.79Å; Y49-Y62 HydrophobicContact CG-CD2 3.79Å; Y49-Y62 HydrophobicContact CG-CE2 4.42Å; Y49-Y65 AromaticContact CD2-CD1 3.79Å; Y49-Y65 HydrophobicContact CD2-CD1 3.79Å; Y49-Y65 HydrophobicContact CD2-CE1 4.47Å; Y49-Y65 HydrophobicContact CD2-CG 4.35Å; Y49-Y65 HydrophobicContact CG-CD1 4.39Å
50	T	95.6	Very high	95.6	Very high	70 Å²	70	43.4 Å²	43.4	43%	0.429	22%	0.219	S	C	.	.	H	α-helix	trans	-89.4	-28.5	-177.6	50.7	0	0	0	0	114.5	N46 K47 T48 K56	N46-T50 PolarHBondContact O-N 2.77Å; N46-T50 PolarHBondContact O-OG1 2.98Å; K47-T50 PolarHBondContact O-OG1 2.88Å; T48-T50 PolarHBondContact O-N 3.31Å; T48-T50 VanDerWaalsContact O-N 3.17Å; T50-K56 VanDerWaalsContact O-CD 3.25Å; T50-K56 WeakPolarHBondContact O-CD 3.47Å; T50-K56 WeakPolarHBondContact O-CE 3.39Å; T50-K56 PolarHBondContact O-NZ 3.1Å
51	N	95.5	Very high	95.7	Very high	91 Å²	91	45.7 Å²	45.7	49%	0.487	24%	0.235	S	C	.	.	H	α-helix	trans	-123.7	-25.2	-167.9	-55.6	-63.6	0	0	0	115.2	K47 T48 V53	K47-N51 VanDerWaalsContact O-CB 3.27Å; K47-N51 WeakPolarHBondContact O-CB 3.33Å; K47-N51 PolarHBondContact O-N 3.24Å; K47-N51 VanDerWaalsContact O-N 3.14Å; K47-N51 PolarHBondContact O-ND2 2.82Å; T48-N51 PolarHBondContact O-N 3.43Å; N51-V53 PolarHBondContact O-N 3.5Å
52	E	95.1	Very high	95.7	Very high	37 Å²	37	49 Å²	49	17%	0.173	25%	0.248	C	C	.	.			trans	-82.4	117.4	-177.3	173.2	50.6	-104.4	0	0	109.7	T48 K54 V55 K56 M142	T48-E52 HydrophobicContact CG2-CB 4.18Å; T48-E52 VanDerWaalsContact O-CB 3.31Å; T48-E52 WeakPolarHBondContact O-CB 3.19Å; T48-E52 PolarHBondContact O-N 3.44Å; E52-K54 HydrophobicContact CG-CB 4.09Å; E52-K54 PolarHBondContact O-N 3.3Å; E52-K54 WeakPolarHBondContact OE1-CE 3.37Å; E52-K54 WeakPolarHBondContact OE1-CG 2.91Å; E52-K54 PolarHBondContact OE1-N 3.21Å; E52-K54 IonicContact OE1-NZ 2.69Å; E52-K54 PolarHBondContact OE1-NZ 3.32Å; E52-K54 IonicContact OE2-NZ 3.16Å; E52-K54 PolarHBondContact OE2-NZ 3.11Å; E52-V55 HydrophobicContact CB-CB 4.47Å; E52-V55 HydrophobicContact CB-CG2 4.29Å; E52-V55 HydrophobicContact CG-CG2 3.99Å; E52-V55 CarbonylContact O-C 3.58Å; E52-V55 PolarHBondContact O-N 2.75Å; E52-K56 WeakPolarHBondContact O-CB 3.49Å; E52-K56 PolarHBondContact O-N 3.03Å; E52-M142 HydrophobicContact CG-SD 4.08Å
53	V	93.6	Very high	95.7	Very high	33 Å²	33	50.8 Å²	50.8	20%	0.2	26%	0.257	C	S	.	.	H	α-helix	trans	-57.3	-33.7	-177.4	-61.9	0	0	0	0	112.5	N51 V55 L57 L212 E216 Q220	N51-V53 PolarHBondContact O-N 3.5Å; V53-V55 PolarHBondContact O-N 3.06Å; V53-V55 VanDerWaalsContact O-N 3.16Å; V53-L57 HydrophobicContact CB-CD1 4.22Å; V53-L57 HydrophobicContact CG1-CD1 4.48Å; V53-L57 WeakPolarHBondContact O-CB 3.22Å; V53-L57 PolarHBondContact O-N 2.82Å; V53-L212 HydrophobicContact CG2-CD2 4.36Å; V53-E216 HydrophobicContact CG1-CG 4.26Å; V53-Q220 HydrophobicContact CG2-CG 4.44Å
54	K	92.9	Very high	95.6	Very high	23 Å²	23	50.2 Å²	50.2	10%	0.1	26%	0.256	C	S	.	.	H	α-helix	trans	-69.7	-4.6	176.4	-63.7	178.5	-68.4	-62.5	0	113.9	E52 L58 W207 L212	E52-K54 HydrophobicContact CG-CB 4.09Å; E52-K54 PolarHBondContact O-N 3.3Å; E52-K54 WeakPolarHBondContact OE1-CE 3.37Å; E52-K54 WeakPolarHBondContact OE1-CG 2.91Å; E52-K54 PolarHBondContact OE1-N 3.21Å; E52-K54 IonicContact OE1-NZ 2.69Å; E52-K54 PolarHBondContact OE1-NZ 3.32Å; E52-K54 IonicContact OE2-NZ 3.16Å; E52-K54 PolarHBondContact OE2-NZ 3.11Å; K54-L58 WeakPolarHBondContact O-CD1 3.38Å; K54-W207 HydrophobicContact CB-CE3 4.34Å; K54-W207 HydrophobicContact CB-CH2 4.04Å; K54-W207 HydrophobicContact CB-CZ3 3.85Å; K54-W207 HydrophobicContact CD-CD2 4.19Å; K54-W207 HydrophobicContact CD-CE3 4.32Å; K54-W207 HydrophobicContact CD-CH2 3.51Å; K54-W207 HydrophobicContact CD-CZ2 3.27Å; K54-W207 HydrophobicContact CD-CZ3 4Å; K54-W207 HydrophobicContact CG-CD2 4.07Å; K54-W207 HydrophobicContact CG-CE3 3.91Å; K54-W207 HydrophobicContact CG-CH2 3.85Å; K54-W207 HydrophobicContact CG-CZ2 3.96Å; K54-W207 HydrophobicContact CG-CZ3 3.79Å; K54-L212 HydrophobicContact CG-CD2 4.23Å
55	V	94.8	Very high	95.6	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.024	26%	0.257	C	S	.	.	H	α-helix	trans	-122.3	-56.2	177.7	-177.7	0	0	0	0	109.3	Y49 E52 V53 L57 L58 L60 Y65 M142	Y49-V55 HydrophobicContact CD2-CG1 4.13Å; E52-V55 HydrophobicContact CB-CB 4.47Å; E52-V55 HydrophobicContact CB-CG2 4.29Å; E52-V55 HydrophobicContact CG-CG2 3.99Å; E52-V55 CarbonylContact O-C 3.58Å; E52-V55 PolarHBondContact O-N 2.75Å; V53-V55 PolarHBondContact O-N 3.06Å; V53-V55 VanDerWaalsContact O-N 3.16Å; V55-L57 VanDerWaalsContact C-N 3.28Å; V55-L57 PolarHBondContact O-N 2.96Å; V55-L58 PolarHBondContact O-N 3.28Å; V55-L58 VanDerWaalsContact O-N 3.09Å; V55-L60 HydrophobicContact CG1-CD1 3.99Å; V55-Y65 HydrophobicContact CG1-CD1 4.07Å; V55-Y65 HydrophobicContact CG1-CD2 4.07Å; V55-Y65 HydrophobicContact CG1-CE1 3.78Å; V55-Y65 HydrophobicContact CG1-CE2 3.8Å; V55-Y65 HydrophobicContact CG1-CG 4.21Å; V55-Y65 HydrophobicContact CG2-CE2 3.96Å; V55-M142 HydrophobicContact CG2-CE 3.69Å; V55-M142 HydrophobicContact CG2-SD 4.24Å
56	K	95	Very high	95.6	Very high	129 Å²	129	54 Å²	54	56%	0.561	27%	0.271	S	S	*	.	H	α-helix	trans	-56.1	-37.4	-175.8	-173.5	-166.4	-173.8	165.9	0	113.8	T50 E52	T50-K56 VanDerWaalsContact O-CD 3.25Å; T50-K56 WeakPolarHBondContact O-CD 3.47Å; T50-K56 WeakPolarHBondContact O-CE 3.39Å; T50-K56 PolarHBondContact O-NZ 3.1Å; E52-K56 WeakPolarHBondContact O-CB 3.49Å; E52-K56 PolarHBondContact O-N 3.03Å
57	L	95.1	Very high	95.5	Very high	73 Å²	73	53.9 Å²	53.9	38%	0.382	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	1.1	-176.3	-58.3	-177.8	0	0	0	113.2	V53 V55 P213 E216	V53-L57 HydrophobicContact CB-CD1 4.22Å; V53-L57 HydrophobicContact CG1-CD1 4.48Å; V53-L57 WeakPolarHBondContact O-CB 3.22Å; V53-L57 PolarHBondContact O-N 2.82Å; V55-L57 VanDerWaalsContact C-N 3.28Å; V55-L57 PolarHBondContact O-N 2.96Å; L57-P213 HydrophobicContact CD1-CG 4.21Å; L57-E216 HydrophobicContact CD1-CB 4.46Å; L57-E216 HydrophobicContact CD1-CG 3.84Å
58	L	93.8	Very high	95.5	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.063	26%	0.263	C	S	.	.	S	Bend	trans	-100.2	152.4	176.9	-66.6	-174.7	0	0	0	110.8	K54 V55 L60 F114 V118 I210 L212	K54-L58 WeakPolarHBondContact O-CD1 3.38Å; V55-L58 PolarHBondContact O-N 3.28Å; V55-L58 VanDerWaalsContact O-N 3.09Å; L58-L60 HydrophobicContact CB-CD1 4.18Å; L58-L60 HydrophobicContact CB-CG 4Å; L58-L60 PolarHBondContact O-N 3.46Å; L58-F114 HydrophobicContact CB-CD1 4.48Å; L58-F114 HydrophobicContact CB-CE1 4.27Å; L58-F114 HydrophobicContact CD1-CE1 4.22Å; L58-F114 HydrophobicContact CD2-CE1 3.95Å; L58-F114 HydrophobicContact CG-CE1 4.4Å; L58-V118 HydrophobicContact CD1-CG2 3.68Å; L58-I210 HydrophobicContact CD1-CD1 3.7Å; L58-I210 HydrophobicContact CD2-CD1 4.21Å; L58-I210 HydrophobicContact CD2-CG1 4.36Å; L58-I210 WeakPolarHBondContact CD2-O 3.28Å; L58-L212 HydrophobicContact CD1-CD1 4.27Å; L58-L212 HydrophobicContact CD2-CD1 3.45Å; L58-L212 VanDerWaalsContact CD2-CD1 3.45Å; L58-L212 HydrophobicContact CG-CD1 3.9Å
59	P	94	Very high	95.4	Very high	93 Å²	93	51.7 Å²	51.7	60%	0.604	26%	0.263	S	S	*	.			trans	-76.4	70.3	179.7	32.8	-36.6	0	0	0	111.3	F114	P59-F114 HydrophobicContact CG-CB 4.49Å; P59-F114 HydrophobicContact CG-CD1 3.96Å; P59-F114 HydrophobicContact CG-CD2 3.71Å; P59-F114 HydrophobicContact CG-CE1 4.06Å; P59-F114 HydrophobicContact CG-CE2 3.8Å; P59-F114 HydrophobicContact CG-CG 3.79Å; P59-F114 HydrophobicContact CG-CZ 3.98Å
60	L	93.2	Very high	95.4	Very high	24 Å²	24	52.1 Å²	52.1	13%	0.126	27%	0.265	C	S	.	.			trans	-111.1	125.6	179	-58.6	177.6	0	0	0	109.8	V55 L58 Y65 F114 I115	V55-L60 HydrophobicContact CG1-CD1 3.99Å; L58-L60 HydrophobicContact CB-CD1 4.18Å; L58-L60 HydrophobicContact CB-CG 4Å; L58-L60 PolarHBondContact O-N 3.46Å; L60-Y65 HydrophobicContact CD1-CD2 4.31Å; L60-F114 HydrophobicContact CD2-CB 3.99Å; L60-F114 HydrophobicContact CD2-CD1 4.11Å; L60-I115 HydrophobicContact CD2-CG1 3.62Å
61	S	95.5	Very high	95.4	Very high	49 Å²	49	52.2 Å²	52.2	34%	0.343	26%	0.261	S	S	.	.			trans	-71.6	143.5	166.5	63.9	0	0	0	0	110.1	E63 S64 Y65	S61-E63 VanDerWaalsContact C-N 3.3Å; S61-E63 PolarHBondContact O-N 3.17Å; S61-S64 PolarHBondContact O-N 2.87Å; S61-S64 WeakPolarHBondContact OG-CB 3.43Å; S61-S64 PolarHBondContact OG-N 3.27Å; S61-S64 PolarHBondContact OG-OG 3.49Å; S61-Y65 WeakPolarHBondContact O-CB 3.34Å; S61-Y65 PolarHBondContact O-N 3.3Å
62	Y	96.4	Very high	95.4	Very high	70 Å²	70	48 Å²	48	28%	0.275	24%	0.239	S	C	.	.	H	α-helix	trans	-55.9	-42.9	177.7	-178.6	-93.3	0	0	0	112.6	T45 N46 Y49 Y65 Y66	T45-Y62 HydrophobicContact CG2-CE2 4.2Å; N46-Y62 PolarHBondContact OD1-OH 2.96Å; Y49-Y62 AromaticContact CD1-CD2 3.73Å; Y49-Y62 HydrophobicContact CD1-CD2 3.73Å; Y49-Y62 HydrophobicContact CD1-CE2 4.43Å; Y49-Y62 HydrophobicContact CD2-CD2 4.06Å; Y49-Y62 AromaticContact CE1-CD2 3.92Å; Y49-Y62 HydrophobicContact CE1-CD2 3.92Å; Y49-Y62 HydrophobicContact CE2-CD2 4.24Å; Y49-Y62 AromaticContact CG-CD2 3.79Å; Y49-Y62 HydrophobicContact CG-CD2 3.79Å; Y49-Y62 HydrophobicContact CG-CE2 4.42Å; Y62-Y65 PolarHBondContact O-N 3.38Å; Y62-Y66 HydrophobicContact CE1-CD2 4.24Å; Y62-Y66 VanDerWaalsContact O-CB 3.32Å; Y62-Y66 WeakPolarHBondContact O-CB 3.45Å; Y62-Y66 PolarHBondContact O-N 2.98Å
63	E	96.2	Very high	95.4	Very high	130 Å²	130	46.5 Å²	46.5	61%	0.607	23%	0.232	S	C	*	.	H	α-helix	trans	-63.6	-46.6	-176.8	-60.3	77.4	-170.9	0	0	111.9	S61 Y65 T67	S61-E63 VanDerWaalsContact C-N 3.3Å; S61-E63 PolarHBondContact O-N 3.17Å; E63-Y65 VanDerWaalsContact C-N 3.34Å; E63-T67 WeakPolarHBondContact O-CB 3.09Å; E63-T67 PolarHBondContact O-N 2.83Å; E63-T67 PolarHBondContact O-OG1 2.82Å
64	S	96.2	Very high	95.4	Very high	15 Å²	15	50.7 Å²	50.7	11%	0.105	25%	0.248	C	C	.	.	H	α-helix	trans	-63.2	-41.4	175.3	-60	0	0	0	0	111.5	S61 H68 Y113	S61-S64 PolarHBondContact O-N 2.87Å; S61-S64 WeakPolarHBondContact OG-CB 3.43Å; S61-S64 PolarHBondContact OG-N 3.27Å; S61-S64 PolarHBondContact OG-OG 3.49Å; S64-H68 WeakPolarHBondContact O-CB 3.36Å; S64-H68 PolarHBondContact O-N 2.78Å; S64-Y113 WeakPolarHBondContact OG-CD2 3.37Å
65	Y	96.9	Very high	95.4	Very high	6 Å²	6	51.5 Å²	51.5	2%	0.024	25%	0.253	C	S	.	.	H	α-helix	trans	-67.7	-45	179.1	-178.4	-115.7	0	0	0	112	T45 T48 Y49 V55 L60 S61 Y62 E63 T67 H68 M69	T45-Y65 HydrophobicContact CG2-CD1 3.65Å; T45-Y65 HydrophobicContact CG2-CE1 3.77Å; T48-Y65 WeakPolarHBondContact CB-OH 3.48Å; T48-Y65 PolarHBondContact OG1-OH 2.71Å; Y49-Y65 AromaticContact CD2-CD1 3.79Å; Y49-Y65 HydrophobicContact CD2-CD1 3.79Å; Y49-Y65 HydrophobicContact CD2-CE1 4.47Å; Y49-Y65 HydrophobicContact CD2-CG 4.35Å; Y49-Y65 HydrophobicContact CG-CD1 4.39Å; V55-Y65 HydrophobicContact CG1-CD1 4.07Å; V55-Y65 HydrophobicContact CG1-CD2 4.07Å; V55-Y65 HydrophobicContact CG1-CE1 3.78Å; V55-Y65 HydrophobicContact CG1-CE2 3.8Å; V55-Y65 HydrophobicContact CG1-CG 4.21Å; V55-Y65 HydrophobicContact CG2-CE2 3.96Å; L60-Y65 HydrophobicContact CD1-CD2 4.31Å; S61-Y65 WeakPolarHBondContact O-CB 3.34Å; S61-Y65 PolarHBondContact O-N 3.3Å; Y62-Y65 PolarHBondContact O-N 3.38Å; E63-Y65 VanDerWaalsContact C-N 3.34Å; Y65-T67 VanDerWaalsContact C-N 3.34Å; Y65-T67 PolarHBondContact O-N 3.43Å; Y65-H68 WeakPolarHBondContact O-CB 3.44Å; Y65-H68 PolarHBondContact O-N 3.17Å; Y65-M69 HydrophobicContact CD1-CG 4.37Å; Y65-M69 HydrophobicContact CD2-CG 4.25Å; Y65-M69 HydrophobicContact CE1-CG 3.93Å; Y65-M69 HydrophobicContact CE2-CG 3.78Å; Y65-M69 HydrophobicContact CE2-SD 3.88Å; Y65-M69 WeakPolarHBondContact O-CG 3.45Å; Y65-M69 PolarHBondContact O-N 2.8Å
66	Y	97	Very high	95.5	Very high	72 Å²	72	52 Å²	52	28%	0.282	26%	0.257	S	S	.	.	H	α-helix	trans	-58.3	-47.1	175.5	-177.4	-81.6	0	0	0	111.1	V41 T45 Y62 H68 M69 Y70	V41-Y66 HydrophobicContact CG1-CE2 4.35Å; T45-Y66 HydrophobicContact CG2-CD2 3.87Å; T45-Y66 HydrophobicContact CG2-CG 4.37Å; Y62-Y66 HydrophobicContact CE1-CD2 4.24Å; Y62-Y66 VanDerWaalsContact O-CB 3.32Å; Y62-Y66 WeakPolarHBondContact O-CB 3.45Å; Y62-Y66 PolarHBondContact O-N 2.98Å; Y66-H68 PolarHBondContact O-N 3.22Å; Y66-M69 PolarHBondContact O-N 2.92Å; Y66-Y70 HydrophobicContact CE1-CD2 4.47Å; Y66-Y70 WeakPolarHBondContact O-CB 3.34Å; Y66-Y70 PolarHBondContact O-N 3.03Å
67	T	96.2	Very high	95.5	Very high	57 Å²	57	47.3 Å²	47.3	35%	0.35	24%	0.238	S	C	.	.	H	α-helix	trans	-64.3	-41.3	179.2	-52.9	0	0	0	0	111.5	E63 Y65 Y70 M71 Y110	E63-T67 WeakPolarHBondContact O-CB 3.09Å; E63-T67 PolarHBondContact O-N 2.83Å; E63-T67 PolarHBondContact O-OG1 2.82Å; Y65-T67 VanDerWaalsContact C-N 3.34Å; Y65-T67 PolarHBondContact O-N 3.43Å; T67-Y70 PolarHBondContact O-N 2.82Å; T67-M71 WeakPolarHBondContact O-CG 3.41Å; T67-M71 PolarHBondContact O-N 3.49Å; T67-Y110 HydrophobicContact CG2-CD1 3.9Å; T67-Y110 HydrophobicContact CG2-CE1 3.4Å
68	H	96.9	Very high	95.5	Very high	19 Å²	19	48.6 Å²	48.6	9%	0.088	24%	0.243	C	C	.	.	H	α-helix	trans	-58.7	-49.6	172.8	171.2	74.9	0	0	0	111.9	S64 Y65 Y66 M71 A72 M109 Y110 I115	S64-H68 WeakPolarHBondContact O-CB 3.36Å; S64-H68 PolarHBondContact O-N 2.78Å; Y65-H68 WeakPolarHBondContact O-CB 3.44Å; Y65-H68 PolarHBondContact O-N 3.17Å; Y66-H68 PolarHBondContact O-N 3.22Å; H68-M71 PolarHBondContact O-N 3.32Å; H68-A72 VanDerWaalsContact O-CB 3.31Å; H68-A72 WeakPolarHBondContact O-CB 3.49Å; H68-A72 PolarHBondContact O-N 2.87Å; H68-M109 WeakPolarHBondContact CE1-CE 3.31Å; H68-Y110 PolarHBondContact ND1-O 2.99Å; H68-I115 HydrophobicContact CB-CD1 3.57Å; H68-I115 HydrophobicContact CB-CG2 4.43Å
69	M	97	Very high	95.6	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-47.9	178.3	-71.2	-53.3	-57.1	0	0	110.8	L44 T45 Y65 Y66 M71 A72 F73 L99 M142	L44-M69 HydrophobicContact CD2-CE 3.69Å; L44-M69 HydrophobicContact CG-CE 4.11Å; T45-M69 HydrophobicContact CG2-CG 4.46Å; T45-M69 WeakPolarHBondContact OG1-CB 3.23Å; Y65-M69 HydrophobicContact CD1-CG 4.37Å; Y65-M69 HydrophobicContact CD2-CG 4.25Å; Y65-M69 HydrophobicContact CE1-CG 3.93Å; Y65-M69 HydrophobicContact CE2-CG 3.78Å; Y65-M69 HydrophobicContact CE2-SD 3.88Å; Y65-M69 WeakPolarHBondContact O-CG 3.45Å; Y65-M69 PolarHBondContact O-N 2.8Å; Y66-M69 PolarHBondContact O-N 2.92Å; M69-M71 VanDerWaalsContact C-N 3.3Å; M69-M71 PolarHBondContact O-N 3.04Å; M69-A72 WeakPolarHBondContact O-CB 3.24Å; M69-A72 PolarHBondContact O-N 3.06Å; M69-A72 VanDerWaalsContact O-N 3.1Å; M69-F73 HydrophobicContact CE-CD2 4.29Å; M69-F73 HydrophobicContact CE-CE2 3.88Å; M69-F73 VanDerWaalsContact O-CD2 3.27Å; M69-F73 WeakPolarHBondContact O-CD2 3.4Å; M69-F73 PolarHBondContact O-N 2.78Å; M69-L99 HydrophobicContact CE-CD2 4.02Å; M69-M142 HydrophobicContact CE-CB 3.86Å; M69-M142 HydrophobicContact CE-CG 4.02Å; M69-M142 HydrophobicContact SD-CB 4.4Å; M69-M142 HydrophobicContact SD-CG 4.36Å
70	Y	96.6	Very high	95.7	Very high	87 Å²	87	46.7 Å²	46.7	34%	0.341	23%	0.228	S	C	.	.	H	α-helix	trans	-53.1	-47.6	175.8	-175	-87	0	0	0	111.5	Y37 V41 Y66 T67 F73 K74	Y37-Y70 HydrophobicContact CD1-CE2 4.37Å; Y37-Y70 AromaticContact CE1-CD2 4Å; Y37-Y70 HydrophobicContact CE1-CD2 4Å; Y37-Y70 AromaticContact CE1-CE2 3.61Å; Y37-Y70 HydrophobicContact CE1-CE2 3.61Å; Y37-Y70 AromaticContact CE1-CZ 3.96Å; Y37-Y70 PolarHBondContact OH-O 3.31Å; V41-Y70 HydrophobicContact CG1-CD2 4.17Å; V41-Y70 HydrophobicContact CG2-CD2 4.42Å; Y66-Y70 HydrophobicContact CE1-CD2 4.47Å; Y66-Y70 WeakPolarHBondContact O-CB 3.34Å; Y66-Y70 PolarHBondContact O-N 3.03Å; T67-Y70 PolarHBondContact O-N 2.82Å; Y70-F73 PolarHBondContact O-N 2.84Å; Y70-K74 VanDerWaalsContact CE1-CE 3.42Å
71	M	95.8	Very high	96	Very high	71 Å²	71	45.6 Å²	45.6	35%	0.35	22%	0.222	S	C	.	.	H	α-helix	trans	-67.1	-41.5	176.8	-66	-63.3	-75.1	0	0	112.4	T67 H68 M69 F73 K74 D75 Y110	T67-M71 WeakPolarHBondContact O-CG 3.41Å; T67-M71 PolarHBondContact O-N 3.49Å; H68-M71 PolarHBondContact O-N 3.32Å; M69-M71 VanDerWaalsContact C-N 3.3Å; M69-M71 PolarHBondContact O-N 3.04Å; M71-F73 VanDerWaalsContact C-N 3.26Å; M71-F73 PolarHBondContact O-N 2.82Å; M71-K74 WeakPolarHBondContact O-CB 3.35Å; M71-K74 PolarHBondContact O-N 2.8Å; M71-K74 HydrophobicContact SD-CD 4.32Å; M71-D75 PolarHBondContact O-N 3.45Å; M71-Y110 HydrophobicContact CG-CD1 4.31Å; M71-Y110 HydrophobicContact CG-CG 4.33Å
72	A	95.9	Very high	96.1	Very high	3 Å²	3	43.2 Å²	43.2	3%	0.025	21%	0.205	C	C	.	.	H	α-helix	trans	-59	-36	177.4	0	0	0	0	0	112.8	H68 M69 K74 D75 A76 L99 M109 I141	H68-A72 VanDerWaalsContact O-CB 3.31Å; H68-A72 WeakPolarHBondContact O-CB 3.49Å; H68-A72 PolarHBondContact O-N 2.87Å; M69-A72 WeakPolarHBondContact O-CB 3.24Å; M69-A72 PolarHBondContact O-N 3.06Å; M69-A72 VanDerWaalsContact O-N 3.1Å; A72-K74 VanDerWaalsContact C-N 3.26Å; A72-K74 PolarHBondContact O-N 3.46Å; A72-D75 PolarHBondContact O-N 3.13Å; A72-A76 PolarHBondContact O-N 3.03Å; A72-A76 VanDerWaalsContact O-N 3.17Å; A72-L99 HydrophobicContact CB-CD2 4.18Å; A72-M109 HydrophobicContact CB-CE 3.39Å; A72-I141 HydrophobicContact CB-CD1 3.94Å
73	F	95.4	Very high	96	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-64.9	-27.7	175.1	-92.9	-99.6	0	0	0	112.9	L32 Y37 A40 V41 L44 M69 Y70 M71 D75 V97 L99	L32-F73 HydrophobicContact CD1-CD1 4.3Å; L32-F73 HydrophobicContact CD1-CE1 3.86Å; L32-F73 HydrophobicContact CD2-CD1 4Å; L32-F73 HydrophobicContact CD2-CE1 4.24Å; Y37-F73 HydrophobicContact CE2-CB 3.69Å; Y37-F73 WeakPolarHBondContact OH-CB 3.35Å; A40-F73 HydrophobicContact CB-CE1 3.7Å; A40-F73 HydrophobicContact CB-CZ 4.26Å; A40-F73 WeakPolarHBondContact O-CZ 3.18Å; V41-F73 HydrophobicContact CB-CD2 4.39Å; V41-F73 HydrophobicContact CB-CE2 4.42Å; V41-F73 HydrophobicContact CG2-CB 3.85Å; V41-F73 HydrophobicContact CG2-CD1 3.93Å; V41-F73 HydrophobicContact CG2-CD2 3.71Å; V41-F73 HydrophobicContact CG2-CE1 4.36Å; V41-F73 HydrophobicContact CG2-CE2 4.13Å; V41-F73 HydrophobicContact CG2-CG 3.58Å; V41-F73 HydrophobicContact CG2-CZ 4.45Å; L44-F73 HydrophobicContact CB-CE2 4.13Å; L44-F73 HydrophobicContact CB-CZ 3.92Å; L44-F73 HydrophobicContact CD2-CE2 3.72Å; L44-F73 HydrophobicContact CD2-CZ 3.67Å; L44-F73 HydrophobicContact CG-CE2 4.46Å; L44-F73 HydrophobicContact CG-CZ 4.44Å; M69-F73 HydrophobicContact CE-CD2 4.29Å; M69-F73 HydrophobicContact CE-CE2 3.88Å; M69-F73 VanDerWaalsContact O-CD2 3.27Å; M69-F73 WeakPolarHBondContact O-CD2 3.4Å; M69-F73 PolarHBondContact O-N 2.78Å; Y70-F73 PolarHBondContact O-N 2.84Å; M71-F73 VanDerWaalsContact C-N 3.26Å; M71-F73 PolarHBondContact O-N 2.82Å; F73-D75 VanDerWaalsContact C-N 3.35Å; F73-V97 HydrophobicContact CE1-CG1 4.34Å; F73-V97 HydrophobicContact CZ-CG1 4.14Å; F73-L99 HydrophobicContact CD1-CD1 3.71Å; F73-L99 HydrophobicContact CD2-CD1 4.2Å; F73-L99 HydrophobicContact CD2-CD2 3.61Å; F73-L99 HydrophobicContact CE1-CD1 3.84Å; F73-L99 HydrophobicContact CE2-CD1 4.35Å; F73-L99 HydrophobicContact CE2-CD2 3.83Å; F73-L99 HydrophobicContact CG-CD1 3.9Å; F73-L99 HydrophobicContact CG-CD2 4.05Å; F73-L99 HydrophobicContact CZ-CD1 4.18Å; F73-L99 HydrophobicContact CZ-CD2 4.4Å
74	K	92.8	Very high	96	Very high	121 Å²	121	33.7 Å²	33.7	53%	0.526	16%	0.163	S	C	.	.	H	α-helix	trans	-72.6	-29.1	174.8	-61.5	-173.5	174.8	175.9	0	112.8	Y37 Y70 M71 A72	Y37-K74 WeakPolarHBondContact OH-CG 3.4Å; Y37-K74 PolarHBondContact OH-N 2.98Å; Y70-K74 VanDerWaalsContact CE1-CE 3.42Å; M71-K74 WeakPolarHBondContact O-CB 3.35Å; M71-K74 PolarHBondContact O-N 2.8Å; M71-K74 HydrophobicContact SD-CD 4.32Å; A72-K74 VanDerWaalsContact C-N 3.26Å; A72-K74 PolarHBondContact O-N 3.46Å
75	D	93.6	Very high	96	Very high	40 Å²	40	33.2 Å²	33.2	21%	0.214	16%	0.159	C	C	.	.	S	Bend	trans	-93.2	-1.5	-180	-74.7	-55.5	0	0	0	113.6	M71 A72 F73 K105	M71-D75 PolarHBondContact O-N 3.45Å; A72-D75 PolarHBondContact O-N 3.13Å; F73-D75 VanDerWaalsContact C-N 3.35Å; D75-K105 IonicContact OD1-NZ 2.79Å; D75-K105 PolarHBondContact OD1-NZ 3.04Å
76	A	95.6	Very high	95.7	Very high	13 Å²	13	35.7 Å²	35.7	11%	0.107	17%	0.173	C	C	.	.	S	Bend	trans	-70.9	146.1	-177.6	0	0	0	0	0	112.4	L32 A72 E78 L99 V100	L32-A76 HydrophobicContact CD2-CB 4.38Å; A72-A76 PolarHBondContact O-N 3.03Å; A72-A76 VanDerWaalsContact O-N 3.17Å; A76-E78 PolarHBondContact O-N 2.99Å; A76-L99 HydrophobicContact CB-CD1 3.34Å; A76-L99 HydrophobicContact CB-CG 3.95Å; A76-V100 CarbonylContact C-O 3.56Å; A76-V100 WeakPolarHBondContact CA-O 3.43Å
77	D	96.3	Very high	95.1	Very high	31 Å²	31	33.3 Å²	33.3	17%	0.166	17%	0.169	C	C	.	.			trans	-77.8	105.5	170.7	-170.1	-52.9	0	0	0	109.2	N79 I80 S81 V100 Y138	D77-N79 PolarHBondContact O-N 3.2Å; D77-N79 WeakPolarHBondContact OD1-CA 3.42Å; D77-N79 WeakPolarHBondContact OD1-CB 3.29Å; D77-N79 PolarHBondContact OD1-N 3.17Å; D77-I80 HydrophobicContact CB-CB 4.44Å; D77-I80 HydrophobicContact CB-CD1 4.41Å; D77-I80 PolarHBondContact O-N 3.47Å; D77-I80 PolarHBondContact OD1-N 3.35Å; D77-S81 WeakPolarHBondContact O-CB 3.41Å; D77-S81 PolarHBondContact O-N 2.66Å; D77-S81 PolarHBondContact O-OG 2.92Å; D77-V100 PolarHBondContact N-O 2.78Å; D77-Y138 WeakPolarHBondContact OD2-CE1 3.23Å
78	E	94.8	Very high	94.1	Very high	100 Å²	100	38.8 Å²	38.8	47%	0.467	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.8	-178	-62.4	-175.2	175.6	0	0	114.1	A76	A76-E78 PolarHBondContact O-N 2.99Å
79	N	94.5	Very high	93.1	Very high	66 Å²	66	41.9 Å²	41.9	35%	0.353	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-20.5	179.9	-63.9	-52.2	0	0	0	112.3	R33 D77 H161	R33-N79 PolarHBondContact NH1-OD1 3.08Å; D77-N79 PolarHBondContact O-N 3.2Å; D77-N79 WeakPolarHBondContact OD1-CA 3.42Å; D77-N79 WeakPolarHBondContact OD1-CB 3.29Å; D77-N79 PolarHBondContact OD1-N 3.17Å; N79-H161 WeakPolarHBondContact O-CB 3.15Å; N79-H161 PolarHBondContact O-ND1 3.36Å
80	I	97.7	Very high	91.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-31.2	179.5	-52.5	171.8	0	0	0	111.6	D77 I82 V100 Y138 S158 F162 T166	D77-I80 HydrophobicContact CB-CB 4.44Å; D77-I80 HydrophobicContact CB-CD1 4.41Å; D77-I80 PolarHBondContact O-N 3.47Å; D77-I80 PolarHBondContact OD1-N 3.35Å; I80-I82 WeakPolarHBondContact O-CG1 3.38Å; I80-V100 HydrophobicContact CB-CB 4.33Å; I80-V100 HydrophobicContact CB-CG1 4.21Å; I80-V100 HydrophobicContact CG2-CB 4.08Å; I80-V100 HydrophobicContact CG2-CG1 3.79Å; I80-V100 HydrophobicContact CG2-CG2 4.09Å; I80-Y138 HydrophobicContact CD1-CD1 3.45Å; I80-Y138 VanDerWaalsContact CD1-CD1 3.45Å; I80-Y138 HydrophobicContact CD1-CE1 3.51Å; I80-Y138 HydrophobicContact CD1-CG 4.04Å; I80-S158 WeakPolarHBondContact O-CB 3.47Å; I80-F162 HydrophobicContact CD1-CD2 4.46Å; I80-F162 HydrophobicContact CG2-CB 3.92Å; I80-T166 HydrophobicContact CD1-CG2 3.73Å
81	S	98.2	Very high	90.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.252	C	S	.	.			trans	-68.2	137.2	174.7	-59.4	0	0	0	0	110.8	L32 D77 N98 V100	L32-S81 PolarHBondContact N-O 3.44Å; D77-S81 WeakPolarHBondContact O-CB 3.41Å; D77-S81 PolarHBondContact O-N 2.66Å; D77-S81 PolarHBondContact O-OG 2.92Å; S81-N98 VanDerWaalsContact CA-O 3.32Å; S81-N98 WeakPolarHBondContact CA-O 3.42Å; S81-N98 WeakPolarHBondContact CB-O 3.47Å; S81-V100 PolarHBondContact OG-N 2.97Å; S81-V100 PolarHBondContact OG-O 2.61Å
82	I	97.3	Very high	90.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.7	-170.1	-65.7	-60.4	0	0	0	110.4	I29 L30 I80 V97 N98 I154	I29-I82 HydrophobicContact CG2-CG2 3.32Å; L30-I82 WeakPolarHBondContact O-CA 3.48Å; I80-I82 WeakPolarHBondContact O-CG1 3.38Å; I82-V97 CarbonylContact O-C 3.59Å; I82-V97 WeakPolarHBondContact O-CA 3.46Å; I82-N98 PolarHBondContact N-O 2.86Å; I82-N98 PolarHBondContact O-N 3.26Å; I82-I154 HydrophobicContact CB-CG2 4.26Å; I82-I154 HydrophobicContact CG2-CB 4.49Å; I82-I154 HydrophobicContact CG2-CG1 4.29Å; I82-I154 HydrophobicContact CG2-CG2 4.14Å
83	V	96.1	Very high	90.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145	169.8	65.4	0	0	0	0	110.5	L30 V35 L85 I94 G96 V97	L30-V83 HydrophobicContact CB-CG1 4.24Å; L30-V83 PolarHBondContact N-O 3.03Å; L30-V83 PolarHBondContact O-N 3.43Å; V35-V83 HydrophobicContact CG1-CB 4.38Å; V35-V83 HydrophobicContact CG1-CG1 3.76Å; V35-V83 HydrophobicContact CG1-CG2 3.88Å; V35-V83 HydrophobicContact CG2-CB 4.28Å; V35-V83 HydrophobicContact CG2-CG1 4.08Å; V35-V83 HydrophobicContact CG2-CG2 4.12Å; V83-L85 HydrophobicContact CG2-CD2 4.22Å; V83-L85 HydrophobicContact CG2-CG 4.46Å; V83-I94 HydrophobicContact CG2-CD1 4.47Å; V83-I94 HydrophobicContact CG2-CG1 4.25Å; V83-I94 HydrophobicContact CG2-CG2 3.86Å; V83-G96 CarbonylContact C-O 3.47Å; V83-G96 WeakPolarHBondContact CA-O 3.03Å; V83-V97 HydrophobicContact CG2-CG2 4.11Å
84	S	96	Very high	90.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128	170.2	176	0	0	0	0	109.5	T27 L28 I94 S95 G96 T150	T27-S84 WeakPolarHBondContact CG2-OG 3.37Å; L28-S84 CarbonylContact O-C 3.58Å; L28-S84 VanDerWaalsContact O-CA 3.28Å; L28-S84 WeakPolarHBondContact O-CA 3.38Å; S84-I94 WeakPolarHBondContact O-CA 3.46Å; S84-S95 PolarHBondContact O-N 3.44Å; S84-S95 PolarHBondContact O-OG 2.91Å; S84-S95 PolarHBondContact OG-OG 3.45Å; S84-G96 PolarHBondContact N-O 2.91Å; S84-G96 PolarHBondContact O-N 2.82Å; S84-T150 VanDerWaalsContact OG-CG2 3.23Å; S84-T150 WeakPolarHBondContact OG-CG2 3.38Å
85	L	94.8	Very high	90.3	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.5	-178.3	-70.6	-178.1	0	0	0	111.5	T27 L28 L30 V35 V83 N93 I94	T27-L85 CarbonylContact C-O 3.3Å; T27-L85 VanDerWaalsContact CA-O 3.28Å; T27-L85 WeakPolarHBondContact CA-O 3.46Å; L28-L85 PolarHBondContact N-O 2.77Å; L28-L85 PolarHBondContact O-N 3.09Å; L30-L85 HydrophobicContact CD1-CD1 4.09Å; V35-L85 HydrophobicContact CG1-CD1 3.67Å; V35-L85 HydrophobicContact CG1-CD2 3.59Å; V35-L85 HydrophobicContact CG1-CG 3.92Å; V83-L85 HydrophobicContact CG2-CD2 4.22Å; V83-L85 HydrophobicContact CG2-CG 4.46Å; L85-N93 CarbonylContact C-O 3.58Å; L85-N93 WeakPolarHBondContact CA-O 3.08Å; L85-I94 HydrophobicContact CD2-CB 4.43Å; L85-I94 HydrophobicContact CD2-CG1 3.77Å
86	I	91.7	Very high	90.5	Very high	59 Å²	59	44.9 Å²	44.9	30%	0.303	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	101	168.5	-61.8	176	0	0	0	107.6	S25 S92 N93	S25-I86 VanDerWaalsContact OG-CG2 3.24Å; S25-I86 WeakPolarHBondContact OG-CG2 3.24Å; I86-S92 WeakPolarHBondContact O-CB 3.29Å; I86-S92 PolarHBondContact O-OG 3.25Å; I86-N93 HydrophobicContact CB-CB 4.41Å; I86-N93 PolarHBondContact N-O 2.86Å
87	G	84.6	Confident	90.6	Very high	21 Å²	21	44.3 Å²	44.3	22%	0.216	23%	0.232	C	C	.	.	S	Bend	trans	109.2	-172.7	-173.5	0	0	0	0	0	113	K26 L28 S92	K26-G87 PolarHBondContact O-N 2.9Å; L28-G87 VanDerWaalsContact CD1-O 3.28Å; L28-G87 WeakPolarHBondContact CD1-O 3.46Å; L28-G87 WeakPolarHBondContact CG-O 3.42Å; G87-S92 WeakPolarHBondContact CA-OG 3.39Å
88	K	75	Confident	90.7	Very high	172 Å²	172	42.8 Å²	42.8	75%	0.748	22%	0.224	S	C	*	.	S	Bend	trans	-117.1	-0.1	-170.3	-55.9	-169.4	-177.8	175.2	0	115.2	L28 S92	L28-K88 HydrophobicContact CD1-CB 4.28Å; L28-K88 HydrophobicContact CD1-CG 4.08Å; K88-S92 PolarHBondContact N-OG 3.16Å; K88-S92 VanDerWaalsContact N-OG 3.13Å
89	T	75	Confident	90.9	Very high	84 Å²	84	38 Å²	38	52%	0.515	20%	0.202	S	C	.	.	S	Bend	trans	-107.3	162.8	-172.8	66	0	0	0	0	110.9	E91 S92	T89-E91 PolarHBondContact O-N 3.2Å; T89-E91 VanDerWaalsContact O-N 3.15Å; T89-E91 PolarHBondContact OG1-N 3.16Å; T89-S92 PolarHBondContact N-OG 2.03Å; T89-S92 WeakPolarHBondContact O-CB 3.47Å; T89-S92 PolarHBondContact O-N 3.34Å; T89-S92 PolarHBondContact O-OG 3.41Å; T89-S92 VanDerWaalsContact O-OG 3.07Å; T89-S92 PolarHBondContact OG1-N 2.93Å; T89-S92 PolarHBondContact OG1-OG 2.99Å
90	V	70.4	Confident	91.1	Very high	93 Å²	93	34.9 Å²	34.9	56%	0.564	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.9	171.4	-64.7	0	0	0	0	112.9
91	E	77	Confident	91	Very high	149 Å²	149	35 Å²	35	70%	0.696	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-7.4	174	-61.8	-175.6	165	0	0	113.1	T89	T89-E91 PolarHBondContact O-N 3.2Å; T89-E91 VanDerWaalsContact O-N 3.15Å; T89-E91 PolarHBondContact OG1-N 3.16Å
92	S	85.3	Confident	90.9	Very high	13 Å²	13	36 Å²	36	9%	0.091	19%	0.192	C	C	.	.	S	Bend	trans	-55.8	144.4	178.1	-72.5	0	0	0	0	112.2	I86 G87 K88 T89 I94	I86-S92 WeakPolarHBondContact O-CB 3.29Å; I86-S92 PolarHBondContact O-OG 3.25Å; G87-S92 WeakPolarHBondContact CA-OG 3.39Å; K88-S92 PolarHBondContact N-OG 3.16Å; K88-S92 VanDerWaalsContact N-OG 3.13Å; T89-S92 PolarHBondContact N-OG 2.03Å; T89-S92 WeakPolarHBondContact O-CB 3.47Å; T89-S92 PolarHBondContact O-N 3.34Å; T89-S92 PolarHBondContact O-OG 3.41Å; T89-S92 VanDerWaalsContact O-OG 3.07Å; T89-S92 PolarHBondContact OG1-N 2.93Å; T89-S92 PolarHBondContact OG1-OG 2.99Å; S92-I94 PolarHBondContact O-N 2.89Å
93	N	92.4	Very high	90.8	Very high	117 Å²	117	36.2 Å²	36.2	63%	0.626	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	133.4	178	-71.3	-28.9	0	0	0	109.9	L85 I86	L85-N93 CarbonylContact C-O 3.58Å; L85-N93 WeakPolarHBondContact CA-O 3.08Å; I86-N93 HydrophobicContact CB-CB 4.41Å; I86-N93 PolarHBondContact N-O 2.86Å
94	I	95.5	Very high	90.7	Very high	18 Å²	18	41.8 Å²	41.8	9%	0.092	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	131	171.8	-59.3	177.3	0	0	0	108	K39 A40 F43 V83 S84 L85 S92 V97	K39-I94 HydrophobicContact CB-CD1 3.99Å; A40-I94 HydrophobicContact CB-CD1 4.09Å; F43-I94 HydrophobicContact CB-CB 4.24Å; F43-I94 HydrophobicContact CB-CD1 4.2Å; F43-I94 HydrophobicContact CB-CG2 4.17Å; F43-I94 HydrophobicContact CD1-CB 4.35Å; F43-I94 HydrophobicContact CD1-CG2 3.5Å; F43-I94 HydrophobicContact CD2-CB 3.82Å; F43-I94 HydrophobicContact CD2-CG2 3.82Å; F43-I94 WeakPolarHBondContact CD2-O 3.26Å; F43-I94 HydrophobicContact CE1-CG2 3.78Å; F43-I94 HydrophobicContact CE2-CB 4.27Å; F43-I94 HydrophobicContact CE2-CG2 4.06Å; F43-I94 WeakPolarHBondContact CE2-O 3.37Å; F43-I94 HydrophobicContact CG-CB 3.87Å; F43-I94 HydrophobicContact CG-CG2 3.54Å; F43-I94 HydrophobicContact CZ-CG2 4.04Å; V83-I94 HydrophobicContact CG2-CD1 4.47Å; V83-I94 HydrophobicContact CG2-CG1 4.25Å; V83-I94 HydrophobicContact CG2-CG2 3.86Å; S84-I94 WeakPolarHBondContact O-CA 3.46Å; L85-I94 HydrophobicContact CD2-CB 4.43Å; L85-I94 HydrophobicContact CD2-CG1 3.77Å; S92-I94 PolarHBondContact O-N 2.89Å; I94-V97 HydrophobicContact CG2-CG2 3.65Å
95	S	95.6	Very high	90.6	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-3.1	174.5	54.1	0	0	0	0	113.7	S84 A145 D146	S84-S95 PolarHBondContact O-N 3.44Å; S84-S95 PolarHBondContact O-OG 2.91Å; S84-S95 PolarHBondContact OG-OG 3.45Å; S95-A145 CarbonylContact O-C 3.54Å; S95-A145 WeakPolarHBondContact O-CA 3.39Å; S95-D146 WeakPolarHBondContact CA-OD2 3.47Å; S95-D146 PolarHBondContact O-N 3.44Å
96	G	97.5	Very high	90.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	154.4	172.1	0	0	0	0	0	112.5	V83 S84 H144	V83-G96 CarbonylContact C-O 3.47Å; V83-G96 WeakPolarHBondContact CA-O 3.03Å; S84-G96 PolarHBondContact N-O 2.91Å; S84-G96 PolarHBondContact O-N 2.82Å; G96-H144 CarbonylContact C-O 3.59Å; G96-H144 WeakPolarHBondContact CA-O 3.34Å
97	V	97.8	Very high	90.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	139.3	177.3	-179.7	0	0	0	0	108	F43 L44 F73 I82 V83 I94 R143 H144	F43-V97 HydrophobicContact CD1-CG2 3.73Å; F43-V97 HydrophobicContact CE1-CG2 4.16Å; L44-V97 HydrophobicContact CB-CB 4.34Å; L44-V97 HydrophobicContact CD1-CB 4.2Å; L44-V97 HydrophobicContact CD2-CB 4.3Å; L44-V97 HydrophobicContact CD2-CG1 3.93Å; F73-V97 HydrophobicContact CE1-CG1 4.34Å; F73-V97 HydrophobicContact CZ-CG1 4.14Å; I82-V97 CarbonylContact O-C 3.59Å; I82-V97 WeakPolarHBondContact O-CA 3.46Å; V83-V97 HydrophobicContact CG2-CG2 4.11Å; I94-V97 HydrophobicContact CG2-CG2 3.65Å; V97-R143 CarbonylContact O-C 3.59Å; V97-R143 VanDerWaalsContact O-CA 3.22Å; V97-R143 WeakPolarHBondContact O-CA 3.08Å; V97-R143 WeakPolarHBondContact O-CG 3Å; V97-H144 PolarHBondContact N-O 3.27Å; V97-H144 PolarHBondContact O-N 3.39Å
98	N	98.2	Very high	90.8	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	114.3	163.8	177.2	38.1	0	0	0	109.1	S81 I82 S140 R143 I154 S158 Y172	S81-N98 VanDerWaalsContact CA-O 3.32Å; S81-N98 WeakPolarHBondContact CA-O 3.42Å; S81-N98 WeakPolarHBondContact CB-O 3.47Å; I82-N98 PolarHBondContact N-O 2.86Å; I82-N98 PolarHBondContact O-N 3.26Å; N98-S140 WeakPolarHBondContact OD1-CB 3.25Å; N98-S140 PolarHBondContact OD1-OG 3Å; N98-R143 HydrophobicContact CB-CB 4.29Å; N98-R143 HydrophobicContact CB-CG 3.98Å; N98-R143 PolarHBondContact OD1-NH1 3.27Å; N98-I154 HydrophobicContact CB-CG2 3.23Å; N98-S158 WeakPolarHBondContact ND2-CB 3.36Å; N98-S158 PolarHBondContact ND2-OG 3.47Å; N98-Y172 PolarHBondContact ND2-OH 3.44Å
99	L	97.8	Very high	91.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.7	179.9	-164.7	68	0	0	0	109.7	L32 L44 M69 A72 F73 A76 S140 I141 M142	L32-L99 HydrophobicContact CD2-CD1 3.8Å; L44-L99 HydrophobicContact CD2-CB 4.01Å; M69-L99 HydrophobicContact CE-CD2 4.02Å; A72-L99 HydrophobicContact CB-CD2 4.18Å; F73-L99 HydrophobicContact CD1-CD1 3.71Å; F73-L99 HydrophobicContact CD2-CD1 4.2Å; F73-L99 HydrophobicContact CD2-CD2 3.61Å; F73-L99 HydrophobicContact CE1-CD1 3.84Å; F73-L99 HydrophobicContact CE2-CD1 4.35Å; F73-L99 HydrophobicContact CE2-CD2 3.83Å; F73-L99 HydrophobicContact CG-CD1 3.9Å; F73-L99 HydrophobicContact CG-CD2 4.05Å; F73-L99 HydrophobicContact CZ-CD1 4.18Å; F73-L99 HydrophobicContact CZ-CD2 4.4Å; A76-L99 HydrophobicContact CB-CD1 3.34Å; A76-L99 HydrophobicContact CB-CG 3.95Å; L99-S140 WeakPolarHBondContact O-CA 3.35Å; L99-I141 HydrophobicContact CB-CG1 4.23Å; L99-I141 HydrophobicContact CD2-CD1 3.59Å; L99-I141 HydrophobicContact CD2-CG1 4.18Å; L99-I141 HydrophobicContact CG-CD1 4.01Å; L99-I141 HydrophobicContact CG-CG1 4.2Å; L99-I141 WeakPolarHBondContact O-CG1 3.11Å; L99-I141 PolarHBondContact O-N 3.45Å; L99-M142 PolarHBondContact N-O 3Å
100	V	98.3	Very high	92.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.8	-177.1	-178.4	0	0	0	0	109.7	A76 D77 I80 S81 Y138 I139 Y172	A76-V100 CarbonylContact C-O 3.56Å; A76-V100 WeakPolarHBondContact CA-O 3.43Å; D77-V100 PolarHBondContact N-O 2.78Å; I80-V100 HydrophobicContact CB-CB 4.33Å; I80-V100 HydrophobicContact CB-CG1 4.21Å; I80-V100 HydrophobicContact CG2-CB 4.08Å; I80-V100 HydrophobicContact CG2-CG1 3.79Å; I80-V100 HydrophobicContact CG2-CG2 4.09Å; S81-V100 PolarHBondContact OG-N 2.97Å; S81-V100 PolarHBondContact OG-O 2.61Å; V100-Y138 HydrophobicContact CG1-CD1 4.48Å; V100-I139 CarbonylContact C-O 3.57Å; V100-I139 VanDerWaalsContact CA-O 3.23Å; V100-I139 WeakPolarHBondContact CA-O 3.22Å; V100-Y172 HydrophobicContact CG1-CE2 3.91Å; V100-Y172 HydrophobicContact CG2-CE2 4.01Å; V100-Y172 VanDerWaalsContact CG2-OH 3.3Å; V100-Y172 WeakPolarHBondContact CG2-OH 3.33Å
101	L	96.2	Very high	93.9	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	155.4	170.7	84	160.4	0	0	0	112.2	K105 L106 M109 Y138 I139 I141	L101-K105 HydrophobicContact CD1-CB 3.58Å; L101-K105 HydrophobicContact CG-CB 4.48Å; L101-L106 HydrophobicContact CD1-CD2 3.9Å; L101-L106 HydrophobicContact CD1-CG 4.06Å; L101-L106 HydrophobicContact CD2-CD2 4.28Å; L101-M109 HydrophobicContact CD1-SD 3.95Å; L101-Y138 CarbonylContact O-C 3.6Å; L101-Y138 WeakPolarHBondContact O-CA 3.28Å; L101-I139 HydrophobicContact CD2-CB 3.99Å; L101-I139 PolarHBondContact N-O 2.9Å; L101-I139 PolarHBondContact O-N 3.49Å; L101-I141 HydrophobicContact CD2-CB 3.94Å; L101-I141 HydrophobicContact CD2-CD1 4Å; L101-I141 HydrophobicContact CD2-CG1 3.77Å; L101-I141 HydrophobicContact CD2-CG2 3.05Å; L101-I141 HydrophobicContact CG-CG2 4.48Å
102	P	96.2	Very high	94.7	Very high	21 Å²	21	35.2 Å²	35.2	14%	0.136	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	133.4	159.4	-16.8	31.5	0	0	0	110.4	K104 K105 Y138	P102-K104 HydrophobicContact CB-CG 4.13Å; P102-K104 PolarHBondContact O-N 3.08Å; P102-K104 VanDerWaalsContact O-N 3.1Å; P102-K105 WeakPolarHBondContact O-CB 3.33Å; P102-K105 PolarHBondContact O-N 2.85Å; P102-Y138 HydrophobicContact CB-CD1 4.47Å; P102-Y138 HydrophobicContact CB-CE1 4.29Å; P102-Y138 HydrophobicContact CG-CD1 4.32Å; P102-Y138 HydrophobicContact CG-CE1 3.98Å
103	M	95.7	Very high	95.1	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.03	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-54.4	-36	-175.8	176.6	173.6	175.6	0	0	113.6	K105 L106 Q127 S130 V134 T137 I139	M103-K105 PolarHBondContact O-N 2.81Å; M103-K105 VanDerWaalsContact O-N 3.11Å; M103-L106 HydrophobicContact CG-CD1 4.18Å; M103-L106 VanDerWaalsContact O-CB 3.3Å; M103-L106 WeakPolarHBondContact O-CB 3.34Å; M103-L106 WeakPolarHBondContact O-CG 3.27Å; M103-L106 PolarHBondContact O-N 2.92Å; M103-Q127 HydrophobicContact CE-CB 4.23Å; M103-Q127 HydrophobicContact CE-CG 3.45Å; M103-Q127 VanDerWaalsContact CE-CG 3.45Å; M103-S130 PolarHBondContact SD-OG 2.97Å; M103-V134 HydrophobicContact CE-CG1 4.3Å; M103-V134 HydrophobicContact CE-CG2 4.3Å; M103-V134 HydrophobicContact CG-CG1 4.31Å; M103-V134 HydrophobicContact SD-CG1 4.22Å; M103-V134 HydrophobicContact SD-CG2 4.46Å; M103-T137 HydrophobicContact CB-CG2 4Å; M103-T137 VanDerWaalsContact CB-O 3.3Å; M103-T137 WeakPolarHBondContact CB-O 3.4Å; M103-T137 HydrophobicContact CG-CG2 4.49Å; M103-T137 PolarHBondContact N-O 2.93Å; M103-T137 HydrophobicContact SD-CG2 3.79Å; M103-I139 HydrophobicContact CB-CD1 3.64Å; M103-I139 HydrophobicContact CB-CG1 4.19Å; M103-I139 HydrophobicContact CG-CD1 3.71Å; M103-I139 HydrophobicContact SD-CD1 4.44Å
104	K	93	Very high	95.3	Very high	116 Å²	116	40.4 Å²	40.4	50%	0.504	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-55.9	-25.7	176.6	66.5	179.6	-177.7	179.6	0	114.1	P102 L106	P102-K104 HydrophobicContact CB-CG 4.13Å; P102-K104 PolarHBondContact O-N 3.08Å; P102-K104 VanDerWaalsContact O-N 3.1Å; K104-L106 VanDerWaalsContact C-N 3.26Å; K104-L106 PolarHBondContact O-N 3.31Å
105	K	94.1	Very high	95.3	Very high	66 Å²	66	39.9 Å²	39.9	29%	0.287	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-74.6	-14.3	179.6	-73	-67.4	-159.1	151.1	0	113	D75 L101 P102 M103 D107 D108 M109	D75-K105 IonicContact OD1-NZ 2.79Å; D75-K105 PolarHBondContact OD1-NZ 3.04Å; L101-K105 HydrophobicContact CD1-CB 3.58Å; L101-K105 HydrophobicContact CG-CB 4.48Å; P102-K105 WeakPolarHBondContact O-CB 3.33Å; P102-K105 PolarHBondContact O-N 2.85Å; M103-K105 PolarHBondContact O-N 2.81Å; M103-K105 VanDerWaalsContact O-N 3.11Å; K105-D107 PolarHBondContact O-N 2.91Å; K105-D108 PolarHBondContact O-N 3.01Å; K105-D108 VanDerWaalsContact O-N 3.15Å; K105-M109 VanDerWaalsContact O-CG 3.32Å; K105-M109 WeakPolarHBondContact O-CG 3.35Å; K105-M109 PolarHBondContact O-N 2.63Å
106	L	93	Very high	95.3	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-62	-23.9	179	-72.5	178	0	0	0	114.1	L101 M103 K104 M109 L119 R123 Y126 I139 I141	L101-L106 HydrophobicContact CD1-CD2 3.9Å; L101-L106 HydrophobicContact CD1-CG 4.06Å; L101-L106 HydrophobicContact CD2-CD2 4.28Å; M103-L106 HydrophobicContact CG-CD1 4.18Å; M103-L106 VanDerWaalsContact O-CB 3.3Å; M103-L106 WeakPolarHBondContact O-CB 3.34Å; M103-L106 WeakPolarHBondContact O-CG 3.27Å; M103-L106 PolarHBondContact O-N 2.92Å; K104-L106 VanDerWaalsContact C-N 3.26Å; K104-L106 PolarHBondContact O-N 3.31Å; L106-M109 HydrophobicContact CD2-SD 3.73Å; L106-L119 HydrophobicContact CD2-CD2 4.31Å; L106-R123 PolarHBondContact O-NH2 3.36Å; L106-Y126 HydrophobicContact CD1-CD2 3.71Å; L106-Y126 HydrophobicContact CD1-CE2 4.12Å; L106-I139 HydrophobicContact CD1-CD1 3.51Å; L106-I139 HydrophobicContact CG-CD1 4.19Å; L106-I141 HydrophobicContact CD2-CG2 4.38Å
107	D	90.2	Very high	95.2	Very high	93 Å²	93	46 Å²	46	50%	0.497	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-76.8	-29.7	178.6	-70.1	-41.6	0	0	0	111.9	K105 R123	K105-D107 PolarHBondContact O-N 2.91Å; D107-R123 VanDerWaalsContact OD1-CD 3.31Å; D107-R123 WeakPolarHBondContact OD1-CD 3.1Å; D107-R123 IonicContact OD1-CZ 2.88Å; D107-R123 IonicContact OD1-NE 2.89Å; D107-R123 PolarHBondContact OD1-NE 3.44Å; D107-R123 VanDerWaalsContact OD1-NE 3.09Å; D107-R123 IonicContact OD1-NH1 2.7Å; D107-R123 PolarHBondContact OD1-NH1 3.18Å; D107-R123 IonicContact OD1-NH2 3.69Å
108	D	91.9	Very high	95.1	Very high	118 Å²	118	47.1 Å²	47.1	63%	0.631	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-5.1	-175.6	-56.2	-36.9	0	0	0	113.2	K105 Y110	K105-D108 PolarHBondContact O-N 3.01Å; K105-D108 VanDerWaalsContact O-N 3.15Å; D108-Y110 PolarHBondContact O-N 2.65Å
109	M	94.6	Very high	95	Very high	14 Å²	14	47.7 Å²	47.7	7%	0.069	24%	0.235	C	C	.	.	S	Bend	trans	-64.9	132.1	-176.2	-71.5	-173.4	83.4	0	0	111.7	H68 A72 L101 K105 L106 A111 L119 I141	H68-M109 WeakPolarHBondContact CE1-CE 3.31Å; A72-M109 HydrophobicContact CB-CE 3.39Å; L101-M109 HydrophobicContact CD1-SD 3.95Å; K105-M109 VanDerWaalsContact O-CG 3.32Å; K105-M109 WeakPolarHBondContact O-CG 3.35Å; K105-M109 PolarHBondContact O-N 2.63Å; L106-M109 HydrophobicContact CD2-SD 3.73Å; M109-A111 PolarHBondContact O-N 3.12Å; M109-A111 VanDerWaalsContact O-N 3.11Å; M109-L119 HydrophobicContact CB-CD1 3.69Å; M109-L119 HydrophobicContact SD-CD1 4.28Å; M109-L119 HydrophobicContact SD-CD2 4.16Å; M109-I141 HydrophobicContact CE-CD1 4.14Å
110	Y	95.5	Very high	94.8	Very high	105 Å²	105	51.1 Å²	51.1	41%	0.412	25%	0.253	S	S	.	.			trans	-58.6	115.2	168.2	176.7	-105.1	0	0	0	110.3	T67 H68 M71 D108 P112	T67-Y110 HydrophobicContact CG2-CD1 3.9Å; T67-Y110 HydrophobicContact CG2-CE1 3.4Å; H68-Y110 PolarHBondContact ND1-O 2.99Å; M71-Y110 HydrophobicContact CG-CD1 4.31Å; M71-Y110 HydrophobicContact CG-CG 4.33Å; D108-Y110 PolarHBondContact O-N 2.65Å; Y110-P112 HydrophobicContact CD1-CG 4.3Å; Y110-P112 HydrophobicContact CE1-CB 4.34Å; Y110-P112 HydrophobicContact CE1-CG 3.54Å
111	A	95.5	Very high	94.6	Very high	28 Å²	28	51.9 Å²	51.9	23%	0.231	26%	0.256	C	S	.	.			trans	-140.8	74.6	-169.6	0	0	0	0	0	112.1	M109 I115 S116 L119	M109-A111 PolarHBondContact O-N 3.12Å; M109-A111 VanDerWaalsContact O-N 3.11Å; A111-I115 HydrophobicContact CB-CB 4.44Å; A111-I115 HydrophobicContact CB-CG2 3.97Å; A111-S116 WeakPolarHBondContact O-CB 3.43Å; A111-L119 HydrophobicContact CB-CD1 3.43Å; A111-L119 VanDerWaalsContact CB-CD1 3.43Å; A111-L119 HydrophobicContact CB-CG 4.21Å
112	P	94.3	Very high	94.6	Very high	18 Å²	18	52.3 Å²	52.3	12%	0.117	26%	0.259	C	S	.	.			trans	-72	149.9	-178.9	32.3	-38.4	0	0	0	111.7	Y110 F114 I115	Y110-P112 HydrophobicContact CD1-CG 4.3Å; Y110-P112 HydrophobicContact CE1-CB 4.34Å; Y110-P112 HydrophobicContact CE1-CG 3.54Å; P112-F114 PolarHBondContact O-N 3.02Å; P112-I115 HydrophobicContact CG-CD1 4.2Å; P112-I115 VanDerWaalsContact O-CB 3.29Å; P112-I115 WeakPolarHBondContact O-CB 3.46Å; P112-I115 PolarHBondContact O-N 3.25Å; P112-I115 VanDerWaalsContact O-N 3.09Å
113	Y	94.1	Very high	94.4	Very high	190 Å²	190	54.2 Å²	54.2	75%	0.745	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	-128.8	171	-47.7	-66.2	0	0	0	112.8	S64 I115 S116	S64-Y113 WeakPolarHBondContact OG-CD2 3.37Å; Y113-I115 PolarHBondContact O-N 3.41Å; Y113-S116 WeakPolarHBondContact O-CB 3.39Å; Y113-S116 PolarHBondContact O-N 3.27Å; Y113-S116 PolarHBondContact O-OG 3.07Å
114	F	95.6	Very high	94.3	Very high	49 Å²	49	58.6 Å²	58.6	22%	0.215	28%	0.282	C	S	.	.	H	α-helix	trans	-66.2	-18.5	-176.5	-159.7	-92.8	0	0	0	113.7	L58 P59 L60 P112 S116 N117 V118 I210	L58-F114 HydrophobicContact CB-CD1 4.48Å; L58-F114 HydrophobicContact CB-CE1 4.27Å; L58-F114 HydrophobicContact CD1-CE1 4.22Å; L58-F114 HydrophobicContact CD2-CE1 3.95Å; L58-F114 HydrophobicContact CG-CE1 4.4Å; P59-F114 HydrophobicContact CG-CB 4.49Å; P59-F114 HydrophobicContact CG-CD1 3.96Å; P59-F114 HydrophobicContact CG-CD2 3.71Å; P59-F114 HydrophobicContact CG-CE1 4.06Å; P59-F114 HydrophobicContact CG-CE2 3.8Å; P59-F114 HydrophobicContact CG-CG 3.79Å; P59-F114 HydrophobicContact CG-CZ 3.98Å; L60-F114 HydrophobicContact CD2-CB 3.99Å; L60-F114 HydrophobicContact CD2-CD1 4.11Å; P112-F114 PolarHBondContact O-N 3.02Å; F114-S116 PolarHBondContact O-N 3.15Å; F114-N117 WeakPolarHBondContact O-CB 3.31Å; F114-N117 PolarHBondContact O-N 3.16Å; F114-N117 VanDerWaalsContact O-N 3.08Å; F114-V118 HydrophobicContact CD1-CG2 4.01Å; F114-V118 HydrophobicContact CE1-CG2 4.13Å; F114-V118 PolarHBondContact O-N 3.22Å; F114-V118 VanDerWaalsContact O-N 3.16Å; F114-I210 WeakPolarHBondContact CZ-O 3.4Å
115	I	96.2	Very high	94.3	Very high	7 Å²	7	53.1 Å²	53.1	4%	0.036	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-35.3	174.9	-57.8	179.5	0	0	0	110.4	L60 H68 A111 P112 Y113 N117 V118 L119	L60-I115 HydrophobicContact CD2-CG1 3.62Å; H68-I115 HydrophobicContact CB-CD1 3.57Å; H68-I115 HydrophobicContact CB-CG2 4.43Å; A111-I115 HydrophobicContact CB-CB 4.44Å; A111-I115 HydrophobicContact CB-CG2 3.97Å; P112-I115 HydrophobicContact CG-CD1 4.2Å; P112-I115 VanDerWaalsContact O-CB 3.29Å; P112-I115 WeakPolarHBondContact O-CB 3.46Å; P112-I115 PolarHBondContact O-N 3.25Å; P112-I115 VanDerWaalsContact O-N 3.09Å; Y113-I115 PolarHBondContact O-N 3.41Å; I115-N117 VanDerWaalsContact C-N 3.28Å; I115-N117 PolarHBondContact O-N 2.99Å; I115-V118 PolarHBondContact O-N 2.93Å; I115-L119 HydrophobicContact CG2-CG 4.43Å; I115-L119 PolarHBondContact O-N 2.92Å
116	S	96.4	Very high	94.3	Very high	52 Å²	52	50.2 Å²	50.2	36%	0.364	25%	0.245	S	C	.	.	H	α-helix	trans	-59.9	-37.7	174.3	68.4	0	0	0	0	112.6	A111 Y113 F114 L119 N120	A111-S116 WeakPolarHBondContact O-CB 3.43Å; Y113-S116 WeakPolarHBondContact O-CB 3.39Å; Y113-S116 PolarHBondContact O-N 3.27Å; Y113-S116 PolarHBondContact O-OG 3.07Å; F114-S116 PolarHBondContact O-N 3.15Å; S116-L119 PolarHBondContact O-N 2.85Å; S116-N120 WeakPolarHBondContact O-CB 3.49Å; S116-N120 PolarHBondContact O-N 2.87Å
117	N	95.2	Very high	94.4	Very high	81 Å²	81	54.5 Å²	54.5	43%	0.433	27%	0.265	S	S	.	.	H	α-helix	trans	-66.7	-42.9	176.5	-65.8	-16.6	0	0	0	111.1	F114 I115 N120 F121	F114-N117 WeakPolarHBondContact O-CB 3.31Å; F114-N117 PolarHBondContact O-N 3.16Å; F114-N117 VanDerWaalsContact O-N 3.08Å; I115-N117 VanDerWaalsContact C-N 3.28Å; I115-N117 PolarHBondContact O-N 2.99Å; N117-N120 PolarHBondContact O-N 3.3Å; N117-F121 WeakPolarHBondContact O-CB 3.48Å; N117-F121 PolarHBondContact O-N 3.35Å
118	V	95.2	Very high	94.4	Very high	23 Å²	23	56 Å²	56	14%	0.139	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-48.7	175.4	-178.6	0	0	0	0	110.3	L58 F114 I115 N120 F121 V122 W207 I210	L58-V118 HydrophobicContact CD1-CG2 3.68Å; F114-V118 HydrophobicContact CD1-CG2 4.01Å; F114-V118 HydrophobicContact CE1-CG2 4.13Å; F114-V118 PolarHBondContact O-N 3.22Å; F114-V118 VanDerWaalsContact O-N 3.16Å; I115-V118 PolarHBondContact O-N 2.93Å; V118-N120 PolarHBondContact O-N 3.49Å; V118-F121 WeakPolarHBondContact O-CB 3.32Å; V118-F121 PolarHBondContact O-N 2.85Å; V118-V122 HydrophobicContact CG1-CG1 4.49Å; V118-V122 WeakPolarHBondContact O-CG2 3.35Å; V118-V122 PolarHBondContact O-N 2.88Å; V118-W207 HydrophobicContact CG1-CH2 4.4Å; V118-W207 HydrophobicContact CG1-CZ3 4.35Å; V118-I210 HydrophobicContact CG1-CD1 4.46Å; V118-I210 HydrophobicContact CG2-CD1 4.16Å
119	L	95.3	Very high	94.5	Very high	12 Å²	12	52.5 Å²	52.5	6%	0.063	25%	0.247	C	C	.	.	H	α-helix	trans	-62.1	-44.2	179.1	-72.1	-166.2	0	0	0	112.4	L106 M109 A111 I115 S116 F121 V122 R123	L106-L119 HydrophobicContact CD2-CD2 4.31Å; M109-L119 HydrophobicContact CB-CD1 3.69Å; M109-L119 HydrophobicContact SD-CD1 4.28Å; M109-L119 HydrophobicContact SD-CD2 4.16Å; A111-L119 HydrophobicContact CB-CD1 3.43Å; A111-L119 VanDerWaalsContact CB-CD1 3.43Å; A111-L119 HydrophobicContact CB-CG 4.21Å; I115-L119 HydrophobicContact CG2-CG 4.43Å; I115-L119 PolarHBondContact O-N 2.92Å; S116-L119 PolarHBondContact O-N 2.85Å; L119-F121 VanDerWaalsContact C-N 3.31Å; L119-F121 PolarHBondContact O-N 3.39Å; L119-V122 HydrophobicContact CD2-CG2 4.44Å; L119-V122 WeakPolarHBondContact O-CG2 3.18Å; L119-V122 PolarHBondContact O-N 3.24Å; L119-R123 WeakPolarHBondContact O-CB 3.21Å; L119-R123 PolarHBondContact O-N 2.88Å
120	N	95.1	Very high	94.4	Very high	72 Å²	72	51.9 Å²	51.9	39%	0.385	24%	0.244	S	C	.	.	H	α-helix	trans	-60.3	-42.4	176.5	-174.8	25.3	0	0	0	111.6	S116 N117 V118 K124	S116-N120 WeakPolarHBondContact O-CB 3.49Å; S116-N120 PolarHBondContact O-N 2.87Å; N117-N120 PolarHBondContact O-N 3.3Å; V118-N120 PolarHBondContact O-N 3.49Å; N120-K124 WeakPolarHBondContact O-CG 3.41Å; N120-K124 PolarHBondContact O-N 3.22Å; N120-K124 VanDerWaalsContact OD1-CE 3.22Å; N120-K124 WeakPolarHBondContact OD1-CE 3.48Å
121	F	94.4	Very high	94	Very high	16 Å²	16	54.8 Å²	54.8	7%	0.07	26%	0.259	C	S	.	.	H	α-helix	trans	-61.2	-56.8	175.8	161.4	-105	0	0	0	111.9	N117 V118 L119 R123 K124 C125 L204 D206 W207 I210	N117-F121 WeakPolarHBondContact O-CB 3.48Å; N117-F121 PolarHBondContact O-N 3.35Å; V118-F121 WeakPolarHBondContact O-CB 3.32Å; V118-F121 PolarHBondContact O-N 2.85Å; L119-F121 VanDerWaalsContact C-N 3.31Å; L119-F121 PolarHBondContact O-N 3.39Å; F121-R123 VanDerWaalsContact C-N 3.28Å; F121-R123 PolarHBondContact O-N 2.8Å; F121-K124 PolarHBondContact O-N 3.18Å; F121-C125 PolarHBondContact O-N 3.16Å; F121-C125 VanDerWaalsContact O-N 3.16Å; F121-L204 VanDerWaalsContact CE2-O 3.24Å; F121-L204 WeakPolarHBondContact CE2-O 3.29Å; F121-D206 VanDerWaalsContact CE2-O 3.25Å; F121-D206 WeakPolarHBondContact CE2-O 3.44Å; F121-W207 HydrophobicContact CD1-CE3 4.46Å; F121-W207 HydrophobicContact CD1-CH2 4.41Å; F121-W207 HydrophobicContact CD1-CZ3 4.38Å; F121-W207 AromaticContact CE1-CD2 3.61Å; F121-W207 HydrophobicContact CE1-CD2 3.61Å; F121-W207 AromaticContact CE1-CE2 3.64Å; F121-W207 AromaticContact CE1-CE3 3.85Å; F121-W207 HydrophobicContact CE1-CE3 3.85Å; F121-W207 HydrophobicContact CE1-CG 4.09Å; F121-W207 HydrophobicContact CE1-CH2 4.04Å; F121-W207 AromaticContact CE1-CZ2 3.83Å; F121-W207 HydrophobicContact CE1-CZ2 3.83Å; F121-W207 HydrophobicContact CE1-CZ3 4.07Å; F121-W207 HydrophobicContact CZ-CD2 4.13Å; F121-W207 HydrophobicContact CZ-CG 4.1Å; F121-I210 HydrophobicContact CB-CG2 3.57Å; F121-I210 HydrophobicContact CD1-CD1 4.02Å; F121-I210 HydrophobicContact CD1-CG1 4.38Å; F121-I210 HydrophobicContact CD1-CG2 4.08Å; F121-I210 HydrophobicContact CD2-CG2 4.13Å; F121-I210 HydrophobicContact CE1-CD1 4.37Å; F121-I210 HydrophobicContact CG-CG2 3.65Å
122	V	94.9	Very high	93.6	Very high	9 Å²	9	61.2 Å²	61.2	6%	0.055	29%	0.29	C	S	.	.	H	α-helix	trans	-65.4	-34.7	-176.8	-59.4	0	0	0	0	111.3	V118 L119 K124 C125 Y126 W207	V118-V122 HydrophobicContact CG1-CG1 4.49Å; V118-V122 WeakPolarHBondContact O-CG2 3.35Å; V118-V122 PolarHBondContact O-N 2.88Å; L119-V122 HydrophobicContact CD2-CG2 4.44Å; L119-V122 WeakPolarHBondContact O-CG2 3.18Å; L119-V122 PolarHBondContact O-N 3.24Å; V122-K124 PolarHBondContact O-N 3.11Å; V122-C125 WeakPolarHBondContact O-CB 3.39Å; V122-C125 PolarHBondContact O-N 3.06Å; V122-Y126 HydrophobicContact CB-CD2 4.13Å; V122-Y126 HydrophobicContact CB-CE2 3.54Å; V122-Y126 HydrophobicContact CG2-CD2 4.3Å; V122-Y126 HydrophobicContact CG2-CE2 3.71Å; V122-Y126 WeakPolarHBondContact O-CB 3.41Å; V122-Y126 WeakPolarHBondContact O-CD2 3.3Å; V122-Y126 PolarHBondContact O-N 3.35Å; V122-W207 HydrophobicContact CG1-CH2 3.77Å; V122-W207 HydrophobicContact CG1-CZ2 3.93Å
123	R	93.4	Very high	93.4	Very high	61 Å²	61	64.1 Å²	64.1	23%	0.23	30%	0.302	C	S	.	.	H	α-helix	trans	-59.5	-48.8	176.7	-173.1	-175.7	-49.9	170.3	4.2	111.9	L106 D107 L119 F121 C125 Y126 Q127	L106-R123 PolarHBondContact O-NH2 3.36Å; D107-R123 VanDerWaalsContact OD1-CD 3.31Å; D107-R123 WeakPolarHBondContact OD1-CD 3.1Å; D107-R123 IonicContact OD1-CZ 2.88Å; D107-R123 IonicContact OD1-NE 2.89Å; D107-R123 PolarHBondContact OD1-NE 3.44Å; D107-R123 VanDerWaalsContact OD1-NE 3.09Å; D107-R123 IonicContact OD1-NH1 2.7Å; D107-R123 PolarHBondContact OD1-NH1 3.18Å; D107-R123 IonicContact OD1-NH2 3.69Å; L119-R123 WeakPolarHBondContact O-CB 3.21Å; L119-R123 PolarHBondContact O-N 2.88Å; F121-R123 VanDerWaalsContact C-N 3.28Å; F121-R123 PolarHBondContact O-N 2.8Å; R123-C125 VanDerWaalsContact C-N 3.31Å; R123-C125 PolarHBondContact O-N 2.72Å; R123-Y126 PolarHBondContact O-N 2.82Å; R123-Q127 HydrophobicContact CG-CG 4.38Å; R123-Q127 WeakPolarHBondContact O-CB 3.39Å; R123-Q127 VanDerWaalsContact O-CG 3.26Å; R123-Q127 WeakPolarHBondContact O-CG 3.29Å; R123-Q127 PolarHBondContact O-N 2.57Å
124	K	92.6	Very high	93.1	Very high	99 Å²	99	57.1 Å²	57.1	43%	0.43	28%	0.28	S	S	.	.	H	α-helix	trans	-60.9	-41.6	176.8	-72.5	174.5	179.5	174	0	111.8	N120 F121 V122 K128 L204	N120-K124 WeakPolarHBondContact O-CG 3.41Å; N120-K124 PolarHBondContact O-N 3.22Å; N120-K124 VanDerWaalsContact OD1-CE 3.22Å; N120-K124 WeakPolarHBondContact OD1-CE 3.48Å; F121-K124 PolarHBondContact O-N 3.18Å; V122-K124 PolarHBondContact O-N 3.11Å; K124-K128 PolarHBondContact O-N 3.12Å; K124-L204 HydrophobicContact CB-CD2 4.42Å
125	C	93	Very high	93	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-51.3	173.9	174.5	0	0	0	0	111.4	F121 V122 R123 Q127 K128 H129 L204 C205 L222	F121-C125 PolarHBondContact O-N 3.16Å; F121-C125 VanDerWaalsContact O-N 3.16Å; V122-C125 WeakPolarHBondContact O-CB 3.39Å; V122-C125 PolarHBondContact O-N 3.06Å; R123-C125 VanDerWaalsContact C-N 3.31Å; R123-C125 PolarHBondContact O-N 2.72Å; C125-Q127 PolarHBondContact O-N 3.48Å; C125-K128 WeakPolarHBondContact O-CB 3.44Å; C125-K128 PolarHBondContact O-N 3.02Å; C125-H129 PolarHBondContact O-CD2 2.82Å; C125-H129 PolarHBondContact O-N 3.03Å; C125-L204 WeakPolarHBondContact CB-O 3.33Å; C125-C205 VanDerWaalsContact CA-SG 3.53Å; C125-C205 HydrophobicContact CB-CB 3.98Å; C125-C205 WeakPolarHBondContact CB-SG 3.44Å; C125-C205 VanDerWaalsContact SG-CA 3.51Å; C125-C205 WeakPolarHBondContact SG-CB 3.44Å; C125-C205 CovalentContact SG-SG 2.03Å; C125-C205 PolarHBondContact SG-SG 2.97Å; C125-L222 VanDerWaalsContact SG-CD2 3.57Å
126	Y	95	Very high	93	Very high	5 Å²	5	62.8 Å²	62.8	2%	0.02	31%	0.314	C	S	.	.	H	α-helix	trans	-64	-44.3	-178.7	-60	-36.4	0	0	0	112.4	L106 V122 R123 K128 H129 S130 I139 L173 W175 L222	L106-Y126 HydrophobicContact CD1-CD2 3.71Å; L106-Y126 HydrophobicContact CD1-CE2 4.12Å; V122-Y126 HydrophobicContact CB-CD2 4.13Å; V122-Y126 HydrophobicContact CB-CE2 3.54Å; V122-Y126 HydrophobicContact CG2-CD2 4.3Å; V122-Y126 HydrophobicContact CG2-CE2 3.71Å; V122-Y126 WeakPolarHBondContact O-CB 3.41Å; V122-Y126 WeakPolarHBondContact O-CD2 3.3Å; V122-Y126 PolarHBondContact O-N 3.35Å; R123-Y126 PolarHBondContact O-N 2.82Å; Y126-K128 VanDerWaalsContact C-N 3.27Å; Y126-K128 PolarHBondContact O-N 3.31Å; Y126-H129 CarbonylContact O-C 3.48Å; Y126-H129 PolarHBondContact O-N 3.24Å; Y126-S130 WeakPolarHBondContact O-CB 3.46Å; Y126-S130 PolarHBondContact O-N 2.88Å; Y126-S130 PolarHBondContact O-OG 2.84Å; Y126-I139 HydrophobicContact CD2-CD1 3.45Å; Y126-I139 VanDerWaalsContact CD2-CD1 3.45Å; Y126-I139 HydrophobicContact CD2-CG1 4.4Å; Y126-I139 HydrophobicContact CE1-CG2 4.3Å; Y126-I139 HydrophobicContact CE2-CD1 3.67Å; Y126-I139 HydrophobicContact CE2-CG1 4.41Å; Y126-I139 HydrophobicContact CE2-CG2 3.75Å; Y126-I139 HydrophobicContact CG-CD1 4.02Å; Y126-I139 WeakPolarHBondContact OH-CG2 3.4Å; Y126-L173 HydrophobicContact CD1-CD1 3.66Å; Y126-L173 HydrophobicContact CE1-CD1 4.43Å; Y126-L173 HydrophobicContact CG-CD1 4.06Å; Y126-W175 AromaticContact CE1-NE1 3.44Å; Y126-W175 AromaticContact CZ-NE1 3.45Å; Y126-W175 PolarHBondContact OH-NE1 2.9Å; Y126-L222 HydrophobicContact CD1-CD1 4.21Å; Y126-L222 HydrophobicContact CD1-CD2 4.1Å; Y126-L222 HydrophobicContact CE1-CD1 3.72Å; Y126-L222 HydrophobicContact CE1-CD2 4.35Å
127	Q	93.1	Very high	93.1	Very high	92 Å²	92	60.3 Å²	60.3	43%	0.43	30%	0.297	S	S	.	.	H	α-helix	trans	-58	-39.1	178.1	-75.2	172.6	-23.5	0	0	112	M103 R123 C125 H129 K131	M103-Q127 HydrophobicContact CE-CB 4.23Å; M103-Q127 HydrophobicContact CE-CG 3.45Å; M103-Q127 VanDerWaalsContact CE-CG 3.45Å; R123-Q127 HydrophobicContact CG-CG 4.38Å; R123-Q127 WeakPolarHBondContact O-CB 3.39Å; R123-Q127 VanDerWaalsContact O-CG 3.26Å; R123-Q127 WeakPolarHBondContact O-CG 3.29Å; R123-Q127 PolarHBondContact O-N 2.57Å; C125-Q127 PolarHBondContact O-N 3.48Å; Q127-H129 PolarHBondContact O-N 3.37Å; Q127-K131 PolarHBondContact O-N 2.84Å
128	K	92.1	Very high	93.2	Very high	126 Å²	126	58 Å²	58	55%	0.548	28%	0.282	S	S	.	.	H	α-helix	trans	-59.3	-35.7	175.4	179.1	62.1	177.6	-174.9	0	112.5	K124 C125 Y126 L204	K124-K128 PolarHBondContact O-N 3.12Å; C125-K128 WeakPolarHBondContact O-CB 3.44Å; C125-K128 PolarHBondContact O-N 3.02Å; Y126-K128 VanDerWaalsContact C-N 3.27Å; Y126-K128 PolarHBondContact O-N 3.31Å; K128-L204 HydrophobicContact CB-CD1 3.87Å; K128-L204 HydrophobicContact CD-CD1 4.24Å; K128-L204 HydrophobicContact CG-CD1 4.05Å
129	H	92.8	Very high	93.3	Very high	43 Å²	43	57 Å²	57	20%	0.199	28%	0.276	C	S	.	.	H	α-helix	trans	-99	-26.7	-173.7	-69.1	-67.7	0	0	0	114.4	C125 Y126 Q127 L193 C205	C125-H129 PolarHBondContact O-CD2 2.82Å; C125-H129 PolarHBondContact O-N 3.03Å; Y126-H129 CarbonylContact O-C 3.48Å; Y126-H129 PolarHBondContact O-N 3.24Å; Q127-H129 PolarHBondContact O-N 3.37Å; H129-L193 HydrophobicContact CB-CD1 3.72Å; H129-C205 VanDerWaalsContact CD2-SG 3.59Å; H129-C205 PolarHBondContact NE2-SG 3.45Å; H129-C205 VanDerWaalsContact NE2-SG 3.41Å
130	S	92.3	Very high	93.5	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-78.9	-22.2	175	61.3	0	0	0	0	112.8	M103 Y126 N132 M133 T137	M103-S130 PolarHBondContact SD-OG 2.97Å; Y126-S130 WeakPolarHBondContact O-CB 3.46Å; Y126-S130 PolarHBondContact O-N 2.88Å; Y126-S130 PolarHBondContact O-OG 2.84Å; S130-N132 PolarHBondContact O-N 2.77Å; S130-N132 VanDerWaalsContact O-N 3.13Å; S130-M133 VanDerWaalsContact O-CB 3.26Å; S130-M133 WeakPolarHBondContact O-CB 3.39Å; S130-M133 PolarHBondContact O-N 2.62Å; S130-T137 VanDerWaalsContact CB-OG1 3.31Å; S130-T137 WeakPolarHBondContact CB-OG1 3.23Å
131	K	86.7	Confident	93.4	Very high	166 Å²	166	54.9 Å²	54.9	72%	0.722	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	-117.9	-179.5	-57.3	179.5	179.2	-179.2	0	110.2	Q127 M133	Q127-K131 PolarHBondContact O-N 2.84Å; K131-M133 VanDerWaalsContact C-N 3.32Å
132	N	87.5	Confident	93.5	Very high	164 Å²	164	55.3 Å²	55.3	88%	0.877	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-1.5	-179.2	-59.4	-6.6	0	0	0	113.1	S130 V134	S130-N132 PolarHBondContact O-N 2.77Å; S130-N132 VanDerWaalsContact O-N 3.13Å; N132-V134 VanDerWaalsContact C-N 3.3Å; N132-V134 PolarHBondContact O-N 2.64Å
133	M	90.6	Very high	93.6	Very high	78 Å²	78	56.2 Å²	56.2	38%	0.384	27%	0.27	S	S	.	.			trans	-89.5	15.4	-176.2	-54.9	171.3	-178.5	0	0	112.8	S130 K131 N135 T136 T137 L171	S130-M133 VanDerWaalsContact O-CB 3.26Å; S130-M133 WeakPolarHBondContact O-CB 3.39Å; S130-M133 PolarHBondContact O-N 2.62Å; K131-M133 VanDerWaalsContact C-N 3.32Å; M133-N135 PolarHBondContact O-N 2.91Å; M133-N135 VanDerWaalsContact O-N 3.13Å; M133-T136 CarbonylContact O-C 3.35Å; M133-T136 PolarHBondContact O-N 3.3Å; M133-T136 PolarHBondContact O-OG1 3.09Å; M133-T137 WeakPolarHBondContact O-CB 3.33Å; M133-T137 PolarHBondContact O-N 2.62Å; M133-T137 PolarHBondContact O-OG1 3.39Å; M133-L171 HydrophobicContact SD-CB 4.38Å
134	V	88.8	Confident	93.8	Very high	44 Å²	44	55 Å²	55	27%	0.267	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-52.1	-40.6	-176	176	0	0	0	0	112	M103 N132 T136 T137	M103-V134 HydrophobicContact CE-CG1 4.3Å; M103-V134 HydrophobicContact CE-CG2 4.3Å; M103-V134 HydrophobicContact CG-CG1 4.31Å; M103-V134 HydrophobicContact SD-CG1 4.22Å; M103-V134 HydrophobicContact SD-CG2 4.46Å; N132-V134 VanDerWaalsContact C-N 3.3Å; N132-V134 PolarHBondContact O-N 2.64Å; V134-T136 VanDerWaalsContact C-N 3.27Å; V134-T136 PolarHBondContact O-N 2.69Å; V134-T137 PolarHBondContact O-N 3.49Å
135	N	92.4	Very high	94	Very high	129 Å²	129	51.2 Å²	51.2	69%	0.69	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-71.9	-18.7	-178.5	-68.7	-25.7	0	0	0	114.4	M133	M133-N135 PolarHBondContact O-N 2.91Å; M133-N135 VanDerWaalsContact O-N 3.13Å
136	T	95.8	Very high	94.1	Very high	45 Å²	45	55 Å²	55	28%	0.276	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-121.5	17.4	-178.9	55.7	0	0	0	0	111.7	M133 V134 S170 L171	M133-T136 CarbonylContact O-C 3.35Å; M133-T136 PolarHBondContact O-N 3.3Å; M133-T136 PolarHBondContact O-OG1 3.09Å; V134-T136 VanDerWaalsContact C-N 3.27Å; V134-T136 PolarHBondContact O-N 2.69Å; T136-S170 WeakPolarHBondContact O-CA 3.21Å; T136-S170 WeakPolarHBondContact O-CB 3.3Å; T136-L171 PolarHBondContact O-N 3.46Å
137	T	98	Very high	94.1	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	133.6	174.1	-62.7	0	0	0	0	109.4	M103 S130 M133 V134 I139 L171 L173	M103-T137 HydrophobicContact CB-CG2 4Å; M103-T137 VanDerWaalsContact CB-O 3.3Å; M103-T137 WeakPolarHBondContact CB-O 3.4Å; M103-T137 HydrophobicContact CG-CG2 4.49Å; M103-T137 PolarHBondContact N-O 2.93Å; M103-T137 HydrophobicContact SD-CG2 3.79Å; S130-T137 VanDerWaalsContact CB-OG1 3.31Å; S130-T137 WeakPolarHBondContact CB-OG1 3.23Å; M133-T137 WeakPolarHBondContact O-CB 3.33Å; M133-T137 PolarHBondContact O-N 2.62Å; M133-T137 PolarHBondContact O-OG1 3.39Å; V134-T137 PolarHBondContact O-N 3.49Å; T137-I139 HydrophobicContact CG2-CG1 4.31Å; T137-L171 CarbonylContact C-O 3.48Å; T137-L171 VanDerWaalsContact CA-O 3.25Å; T137-L171 WeakPolarHBondContact CA-O 3.34Å; T137-L171 HydrophobicContact CG2-CB 4.34Å; T137-L171 HydrophobicContact CG2-CD2 4.36Å; T137-L173 HydrophobicContact CG2-CD1 3.66Å; T137-L173 HydrophobicContact CG2-CG 3.9Å
138	Y	98.3	Very high	94.1	Very high	33 Å²	33	57.4 Å²	57.4	13%	0.129	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	148.4	175.7	-67.7	-100.2	0	0	0	108.8	D77 I80 V100 L101 P102 F162 T166 L171 Y172 L173	D77-Y138 WeakPolarHBondContact OD2-CE1 3.23Å; I80-Y138 HydrophobicContact CD1-CD1 3.45Å; I80-Y138 VanDerWaalsContact CD1-CD1 3.45Å; I80-Y138 HydrophobicContact CD1-CE1 3.51Å; I80-Y138 HydrophobicContact CD1-CG 4.04Å; V100-Y138 HydrophobicContact CG1-CD1 4.48Å; L101-Y138 CarbonylContact O-C 3.6Å; L101-Y138 WeakPolarHBondContact O-CA 3.28Å; P102-Y138 HydrophobicContact CB-CD1 4.47Å; P102-Y138 HydrophobicContact CB-CE1 4.29Å; P102-Y138 HydrophobicContact CG-CD1 4.32Å; P102-Y138 HydrophobicContact CG-CE1 3.98Å; Y138-F162 HydrophobicContact CD2-CD2 4.12Å; Y138-F162 AromaticContact CD2-CE2 3.82Å; Y138-F162 HydrophobicContact CD2-CE2 3.82Å; Y138-F162 HydrophobicContact CG-CD2 4.3Å; Y138-F162 HydrophobicContact CG-CE2 4.38Å; Y138-T166 HydrophobicContact CD2-CG2 3.8Å; Y138-T166 HydrophobicContact CE1-CG2 4.22Å; Y138-T166 HydrophobicContact CE2-CG2 3.32Å; Y138-T166 HydrophobicContact CG-CG2 4.42Å; Y138-L171 PolarHBondContact N-O 3.3Å; Y138-Y172 CarbonylContact O-C 3.58Å; Y138-Y172 WeakPolarHBondContact O-CA 3.48Å; Y138-Y172 WeakPolarHBondContact O-CD2 3.46Å; Y138-L173 PolarHBondContact O-N 2.8Å
139	I	98	Very high	94.3	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	125.9	-171.2	-55.7	168.1	0	0	0	108.8	V100 L101 M103 L106 Y126 T137 I141 L173	V100-I139 CarbonylContact C-O 3.57Å; V100-I139 VanDerWaalsContact CA-O 3.23Å; V100-I139 WeakPolarHBondContact CA-O 3.22Å; L101-I139 HydrophobicContact CD2-CB 3.99Å; L101-I139 PolarHBondContact N-O 2.9Å; L101-I139 PolarHBondContact O-N 3.49Å; M103-I139 HydrophobicContact CB-CD1 3.64Å; M103-I139 HydrophobicContact CB-CG1 4.19Å; M103-I139 HydrophobicContact CG-CD1 3.71Å; M103-I139 HydrophobicContact SD-CD1 4.44Å; L106-I139 HydrophobicContact CD1-CD1 3.51Å; L106-I139 HydrophobicContact CG-CD1 4.19Å; Y126-I139 HydrophobicContact CD2-CD1 3.45Å; Y126-I139 VanDerWaalsContact CD2-CD1 3.45Å; Y126-I139 HydrophobicContact CD2-CG1 4.4Å; Y126-I139 HydrophobicContact CE1-CG2 4.3Å; Y126-I139 HydrophobicContact CE2-CD1 3.67Å; Y126-I139 HydrophobicContact CE2-CG1 4.41Å; Y126-I139 HydrophobicContact CE2-CG2 3.75Å; Y126-I139 HydrophobicContact CG-CD1 4.02Å; Y126-I139 WeakPolarHBondContact OH-CG2 3.4Å; T137-I139 HydrophobicContact CG2-CG1 4.31Å; I139-I141 HydrophobicContact CG2-CG2 4.05Å; I139-I141 PolarHBondContact O-N 2.88Å; I139-L173 WeakPolarHBondContact CA-O 3.43Å; I139-L173 HydrophobicContact CG1-CB 4.32Å
140	S	98	Very high	94.4	Very high	6 Å²	6	58 Å²	58	4%	0.042	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	99.3	162.2	171.9	0	0	0	0	107.9	N98 L99 R143 L173	N98-S140 WeakPolarHBondContact OD1-CB 3.25Å; N98-S140 PolarHBondContact OD1-OG 3Å; L99-S140 WeakPolarHBondContact O-CA 3.35Å; S140-R143 PolarHBondContact OG-NH1 2.98Å; S140-L173 PolarHBondContact N-O 3.45Å
141	I	94.8	Very high	94.6	Very high	34 Å²	34	58.6 Å²	58.6	17%	0.174	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-38.1	-177	37.4	163.7	0	0	0	112.7	A72 L99 L101 L106 M109 I139	A72-I141 HydrophobicContact CB-CD1 3.94Å; L99-I141 HydrophobicContact CB-CG1 4.23Å; L99-I141 HydrophobicContact CD2-CD1 3.59Å; L99-I141 HydrophobicContact CD2-CG1 4.18Å; L99-I141 HydrophobicContact CG-CD1 4.01Å; L99-I141 HydrophobicContact CG-CG1 4.2Å; L99-I141 WeakPolarHBondContact O-CG1 3.11Å; L99-I141 PolarHBondContact O-N 3.45Å; L101-I141 HydrophobicContact CD2-CB 3.94Å; L101-I141 HydrophobicContact CD2-CD1 4Å; L101-I141 HydrophobicContact CD2-CG1 3.77Å; L101-I141 HydrophobicContact CD2-CG2 3.05Å; L101-I141 HydrophobicContact CG-CG2 4.48Å; L106-I141 HydrophobicContact CD2-CG2 4.38Å; M109-I141 HydrophobicContact CE-CD1 4.14Å; I139-I141 HydrophobicContact CG2-CG2 4.05Å; I139-I141 PolarHBondContact O-N 2.88Å
142	M	95.4	Very high	95.1	Very high	26 Å²	26	55.2 Å²	55.2	13%	0.128	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	135	-178.7	-160.1	58	68	0	0	109.9	L44 T48 E52 V55 M69 L99	L44-M142 HydrophobicContact CD1-CG 4.25Å; L44-M142 HydrophobicContact CD2-CB 4.11Å; L44-M142 HydrophobicContact CD2-CG 4.24Å; L44-M142 HydrophobicContact CG-CG 4.2Å; T48-M142 HydrophobicContact CG2-CG 3.6Å; T48-M142 HydrophobicContact CG2-SD 3.71Å; E52-M142 HydrophobicContact CG-SD 4.08Å; V55-M142 HydrophobicContact CG2-CE 3.69Å; V55-M142 HydrophobicContact CG2-SD 4.24Å; M69-M142 HydrophobicContact CE-CB 3.86Å; M69-M142 HydrophobicContact CE-CG 4.02Å; M69-M142 HydrophobicContact SD-CB 4.4Å; M69-M142 HydrophobicContact SD-CG 4.36Å; L99-M142 PolarHBondContact N-O 3Å
143	R	96.6	Very high	95.6	Very high	28 Å²	28	51.5 Å²	51.5	11%	0.106	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	141.9	-179.9	176.8	174.7	55.9	-98	-8.5	109.7	V97 N98 S140 W175 E176	V97-R143 CarbonylContact O-C 3.59Å; V97-R143 VanDerWaalsContact O-CA 3.22Å; V97-R143 WeakPolarHBondContact O-CA 3.08Å; V97-R143 WeakPolarHBondContact O-CG 3Å; N98-R143 HydrophobicContact CB-CB 4.29Å; N98-R143 HydrophobicContact CB-CG 3.98Å; N98-R143 PolarHBondContact OD1-NH1 3.27Å; S140-R143 PolarHBondContact OG-NH1 2.98Å; R143-W175 PolarHBondContact NH2-O 3.41Å; R143-W175 VanDerWaalsContact NH2-O 3.09Å; R143-E176 IonicContact CZ-OE1 3.47Å; R143-E176 IonicContact NE-OE1 2.62Å; R143-E176 PolarHBondContact NE-OE1 3.34Å; R143-E176 IonicContact NH2-OE1 3.6Å; R143-E176 PolarHBondContact NH2-OE1 3Å
144	H	97.3	Very high	95.9	Very high	35 Å²	35	47.8 Å²	47.8	16%	0.162	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150.6	166	-172.3	82.6	0	0	0	110	L44 K47 T48 G96 V97 D146	L44-H144 HydrophobicContact CD1-CB 3.81Å; K47-H144 HydrophobicContact CB-CB 4.08Å; K47-H144 WeakPolarHBondContact CB-CD2 3.33Å; T48-H144 HydrophobicContact CG2-CB 4Å; G96-H144 CarbonylContact C-O 3.59Å; G96-H144 WeakPolarHBondContact CA-O 3.34Å; V97-H144 PolarHBondContact N-O 3.27Å; V97-H144 PolarHBondContact O-N 3.39Å; H144-D146 IonicContact NE2-OD1 2.69Å
145	A	96.8	Very high	96.4	Very high	20 Å²	20	45.8 Å²	45.8	17%	0.165	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	143.7	169.5	0	0	0	0	0	109.6	S95 S147 T150 G151 I154	S95-A145 CarbonylContact O-C 3.54Å; S95-A145 WeakPolarHBondContact O-CA 3.39Å; A145-S147 PolarHBondContact O-N 3.22Å; A145-S147 VanDerWaalsContact O-N 3.16Å; A145-T150 HydrophobicContact CB-CG2 3.93Å; A145-G151 VanDerWaalsContact CB-CA 3.49Å; A145-G151 VanDerWaalsContact CB-N 3.35Å; A145-I154 HydrophobicContact CB-CD1 4.24Å
146	D	95.4	Very high	96.7	Very high	78 Å²	78	43.7 Å²	43.7	42%	0.417	22%	0.221	S	C	.	.	S	Bend	trans	-67.6	-14.6	-179.5	-70.4	-30	0	0	0	113	K47 S95 H144	K47-D146 WeakPolarHBondContact CE-OD1 3.19Å; K47-D146 IonicContact NZ-OD1 2.71Å; K47-D146 PolarHBondContact NZ-OD1 2.92Å; S95-D146 WeakPolarHBondContact CA-OD2 3.47Å; S95-D146 PolarHBondContact O-N 3.44Å; H144-D146 IonicContact NE2-OD1 2.69Å
147	S	94.8	Very high	96.8	Very high	50 Å²	50	42.4 Å²	42.4	35%	0.35	21%	0.214	S	C	.	.	S	Bend	trans	-144.3	155.3	175.1	79.6	0	0	0	0	112.2	A145 K149 T150 G151	A145-S147 PolarHBondContact O-N 3.22Å; A145-S147 VanDerWaalsContact O-N 3.16Å; S147-K149 VanDerWaalsContact C-N 3.26Å; S147-K149 PolarHBondContact O-N 3.11Å; S147-T150 PolarHBondContact O-N 3.1Å; S147-T150 WeakPolarHBondContact OG-CB 3.48Å; S147-T150 PolarHBondContact OG-N 3.41Å; S147-T150 PolarHBondContact OG-OG1 3.29Å; S147-G151 PolarHBondContact O-N 3.36Å
148	V	94.1	Very high	96.8	Very high	99 Å²	99	42.4 Å²	42.4	60%	0.6	21%	0.214	S	C	*	.	H	α-helix	trans	-58.3	-39.5	174	177.8	0	0	0	0	111.3	G151 R152	V148-G151 PolarHBondContact O-N 2.86Å; V148-R152 WeakPolarHBondContact O-CG 3.39Å; V148-R152 PolarHBondContact O-N 3.44Å
149	K	95.2	Very high	96.8	Very high	166 Å²	166	41 Å²	41	72%	0.722	21%	0.209	S	C	*	.	H	α-helix	trans	-60.3	-51.3	177.3	-177	-178.6	178	-177.1	0	110.7	S147 G151 R152 E153	S147-K149 VanDerWaalsContact C-N 3.26Å; S147-K149 PolarHBondContact O-N 3.11Å; K149-G151 VanDerWaalsContact C-N 3.34Å; K149-G151 PolarHBondContact O-N 2.78Å; K149-R152 PolarHBondContact O-N 2.95Å; K149-E153 PolarHBondContact O-N 3.42Å
150	T	95.6	Very high	96.8	Very high	15 Å²	15	44.8 Å²	44.8	9%	0.092	23%	0.227	C	C	.	.	H	α-helix	trans	-60.4	-43.7	177.1	-58.4	0	0	0	0	111.5	S84 A145 S147 R152 E153 I154	S84-T150 VanDerWaalsContact OG-CG2 3.23Å; S84-T150 WeakPolarHBondContact OG-CG2 3.38Å; A145-T150 HydrophobicContact CB-CG2 3.93Å; S147-T150 PolarHBondContact O-N 3.1Å; S147-T150 WeakPolarHBondContact OG-CB 3.48Å; S147-T150 PolarHBondContact OG-N 3.41Å; S147-T150 PolarHBondContact OG-OG1 3.29Å; T150-R152 VanDerWaalsContact C-N 3.32Å; T150-R152 PolarHBondContact O-N 2.92Å; T150-E153 PolarHBondContact O-N 3.49Å; T150-I154 HydrophobicContact CG2-CD1 3.85Å; T150-I154 HydrophobicContact CG2-CG1 4.36Å; T150-I154 VanDerWaalsContact O-CG1 3.3Å; T150-I154 WeakPolarHBondContact O-CG1 3.32Å; T150-I154 PolarHBondContact O-N 2.88Å
151	G	96.5	Very high	96.7	Very high	13 Å²	13	45.9 Å²	45.9	13%	0.134	23%	0.231	C	C	.	.	H	α-helix	trans	-58.5	-42.9	177.8	0	0	0	0	0	112.6	A145 S147 V148 K149 I154 I155	A145-G151 VanDerWaalsContact CB-CA 3.49Å; A145-G151 VanDerWaalsContact CB-N 3.35Å; S147-G151 PolarHBondContact O-N 3.36Å; V148-G151 PolarHBondContact O-N 2.86Å; K149-G151 VanDerWaalsContact C-N 3.34Å; K149-G151 PolarHBondContact O-N 2.78Å; G151-I154 PolarHBondContact O-N 3.42Å; G151-I155 WeakPolarHBondContact O-CG1 3.42Å; G151-I155 PolarHBondContact O-N 3.02Å
152	R	97.2	Very high	96.9	Very high	96 Å²	96	44.3 Å²	44.3	36%	0.362	22%	0.223	S	C	.	.	H	α-helix	trans	-65.6	-44.3	176.1	-72	-178.4	177.2	172	1.1	112.4	V148 K149 T150 I154 I155 K156 N180 F184	V148-R152 WeakPolarHBondContact O-CG 3.39Å; V148-R152 PolarHBondContact O-N 3.44Å; K149-R152 PolarHBondContact O-N 2.95Å; T150-R152 VanDerWaalsContact C-N 3.32Å; T150-R152 PolarHBondContact O-N 2.92Å; R152-I154 VanDerWaalsContact C-N 3.32Å; R152-I154 PolarHBondContact O-N 3.26Å; R152-I155 PolarHBondContact O-N 2.84Å; R152-K156 WeakPolarHBondContact O-CB 3.4Å; R152-K156 PolarHBondContact O-N 3.31Å; R152-N180 PolarHBondContact NH2-O 2.88Å; R152-N180 VanDerWaalsContact NH2-O 3.13Å; R152-F184 HydrophobicContact CB-CD1 4.45Å; R152-F184 HydrophobicContact CB-CD2 4.26Å; R152-F184 HydrophobicContact CB-CE1 3.96Å; R152-F184 HydrophobicContact CB-CE2 3.75Å; R152-F184 HydrophobicContact CB-CZ 3.57Å; R152-F184 HydrophobicContact CG-CD1 3.78Å; R152-F184 HydrophobicContact CG-CD2 4Å; R152-F184 HydrophobicContact CG-CE1 3.74Å; R152-F184 HydrophobicContact CG-CE2 3.97Å; R152-F184 HydrophobicContact CG-CG 3.9Å; R152-F184 HydrophobicContact CG-CZ 3.83Å; R152-F184 VanDerWaalsContact O-CZ 3.26Å; R152-F184 WeakPolarHBondContact O-CZ 3.42Å
153	E	97.2	Very high	97	Very high	86 Å²	86	46.2 Å²	46.2	40%	0.402	23%	0.231	S	C	.	.	H	α-helix	trans	-62.5	-38.6	176.8	-69.9	-55.6	134.3	0	0	112.2	I29 K149 T150 K156 S157	I29-E153 HydrophobicContact CD1-CB 4.2Å; I29-E153 HydrophobicContact CG1-CB 4.25Å; K149-E153 PolarHBondContact O-N 3.42Å; T150-E153 PolarHBondContact O-N 3.49Å; E153-K156 PolarHBondContact O-N 2.82Å; E153-S157 WeakPolarHBondContact O-CB 3.46Å; E153-S157 PolarHBondContact O-N 3.34Å
154	I	97.9	Very high	97	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.6	-44.4	174.8	-69.9	171.9	0	0	0	111.4	I29 I82 N98 A145 T150 G151 R152 S157 S158	I29-I154 HydrophobicContact CD1-CG1 4.09Å; I82-I154 HydrophobicContact CB-CG2 4.26Å; I82-I154 HydrophobicContact CG2-CB 4.49Å; I82-I154 HydrophobicContact CG2-CG1 4.29Å; I82-I154 HydrophobicContact CG2-CG2 4.14Å; N98-I154 HydrophobicContact CB-CG2 3.23Å; A145-I154 HydrophobicContact CB-CD1 4.24Å; T150-I154 HydrophobicContact CG2-CD1 3.85Å; T150-I154 HydrophobicContact CG2-CG1 4.36Å; T150-I154 VanDerWaalsContact O-CG1 3.3Å; T150-I154 WeakPolarHBondContact O-CG1 3.32Å; T150-I154 PolarHBondContact O-N 2.88Å; G151-I154 PolarHBondContact O-N 3.42Å; R152-I154 VanDerWaalsContact C-N 3.32Å; R152-I154 PolarHBondContact O-N 3.26Å; I154-S157 PolarHBondContact O-N 2.96Å; I154-S158 WeakPolarHBondContact O-CB 3.33Å; I154-S158 PolarHBondContact O-N 3.15Å; I154-S158 PolarHBondContact O-OG 3.07Å
155	I	98.4	Very high	96.9	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-62.3	-46.4	176.6	-69.7	166.4	0	0	0	110	G151 R152 S158 S159 L174 E176 F184 L185 L188	G151-I155 WeakPolarHBondContact O-CG1 3.42Å; G151-I155 PolarHBondContact O-N 3.02Å; R152-I155 PolarHBondContact O-N 2.84Å; I155-S158 PolarHBondContact O-OG 3.33Å; I155-S158 VanDerWaalsContact O-OG 3.07Å; I155-S159 VanDerWaalsContact O-CB 3.29Å; I155-S159 WeakPolarHBondContact O-CB 3.43Å; I155-S159 PolarHBondContact O-N 2.99Å; I155-S159 PolarHBondContact O-OG 2.86Å; I155-L174 HydrophobicContact CG2-CD2 4.2Å; I155-E176 HydrophobicContact CD1-CG 4.45Å; I155-F184 HydrophobicContact CB-CE1 3.91Å; I155-F184 HydrophobicContact CB-CZ 4.2Å; I155-F184 HydrophobicContact CD1-CE1 4Å; I155-F184 HydrophobicContact CG2-CE1 3.79Å; I155-F184 HydrophobicContact CG2-CZ 4.2Å; I155-L185 HydrophobicContact CG2-CD2 3.94Å; I155-L188 HydrophobicContact CG2-CD1 3.99Å
156	K	98.3	Very high	96.9	Very high	84 Å²	84	52.9 Å²	52.9	37%	0.365	26%	0.255	S	S	.	.	H	α-helix	trans	-58.3	-52.1	178.1	-175.8	-176.4	175.9	-171	0	111.1	R152 E153 S159 E160 L188	R152-K156 WeakPolarHBondContact O-CB 3.4Å; R152-K156 PolarHBondContact O-N 3.31Å; E153-K156 PolarHBondContact O-N 2.82Å; K156-S159 WeakPolarHBondContact O-CB 3.22Å; K156-S159 PolarHBondContact O-N 3.13Å; K156-E160 WeakPolarHBondContact CE-OE1 3.34Å; K156-E160 WeakPolarHBondContact O-CG 3.4Å; K156-E160 PolarHBondContact O-N 3.41Å; K156-L188 HydrophobicContact CB-CD1 4.31Å; K156-L188 HydrophobicContact CG-CD2 4.15Å
157	S	98.2	Very high	96.9	Very high	19 Å²	19	52.9 Å²	52.9	13%	0.133	26%	0.259	C	S	.	.	H	α-helix	trans	-61.6	-48.6	-179.1	-175.5	0	0	0	0	112.1	E153 I154 S159 E160 H161	E153-S157 WeakPolarHBondContact O-CB 3.46Å; E153-S157 PolarHBondContact O-N 3.34Å; I154-S157 PolarHBondContact O-N 2.96Å; S157-S159 VanDerWaalsContact C-N 3.27Å; S157-S159 PolarHBondContact O-N 3.43Å; S157-E160 PolarHBondContact O-N 3.31Å; S157-E160 VanDerWaalsContact O-N 3.16Å; S157-H161 WeakPolarHBondContact O-CB 3.47Å; S157-H161 PolarHBondContact O-CD2 3.44Å; S157-H161 VanDerWaalsContact O-CD2 3.24Å; S157-H161 PolarHBondContact O-N 3.15Å
158	S	98.3	Very high	96.9	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-34.6	177.1	58.5	0	0	0	0	112.8	I80 N98 I154 I155 H161 F162 Y172	I80-S158 WeakPolarHBondContact O-CB 3.47Å; N98-S158 WeakPolarHBondContact ND2-CB 3.36Å; N98-S158 PolarHBondContact ND2-OG 3.47Å; I154-S158 WeakPolarHBondContact O-CB 3.33Å; I154-S158 PolarHBondContact O-N 3.15Å; I154-S158 PolarHBondContact O-OG 3.07Å; I155-S158 PolarHBondContact O-OG 3.33Å; I155-S158 VanDerWaalsContact O-OG 3.07Å; S158-H161 PolarHBondContact O-N 3.27Å; S158-F162 VanDerWaalsContact O-CB 3.29Å; S158-F162 WeakPolarHBondContact O-CB 3.36Å; S158-F162 PolarHBondContact O-N 3.12Å; S158-Y172 PolarHBondContact OG-OH 3.21Å
159	S	98.3	Very high	97	Very high	5 Å²	5	51 Å²	51	4%	0.035	26%	0.257	C	S	.	.	H	α-helix	trans	-65.4	-41.8	174.7	-57.3	0	0	0	0	112.6	I155 K156 S157 K163 Y190	I155-S159 VanDerWaalsContact O-CB 3.29Å; I155-S159 WeakPolarHBondContact O-CB 3.43Å; I155-S159 PolarHBondContact O-N 2.99Å; I155-S159 PolarHBondContact O-OG 2.86Å; K156-S159 WeakPolarHBondContact O-CB 3.22Å; K156-S159 PolarHBondContact O-N 3.13Å; S157-S159 VanDerWaalsContact C-N 3.27Å; S157-S159 PolarHBondContact O-N 3.43Å; S159-K163 WeakPolarHBondContact O-CG 3.27Å; S159-K163 PolarHBondContact O-N 2.96Å; S159-Y190 WeakPolarHBondContact OG-CE2 3.4Å; S159-Y190 PolarHBondContact OG-OH 3.45Å
160	E	97.7	Very high	97.1	Very high	78 Å²	78	43.1 Å²	43.1	36%	0.364	22%	0.222	S	C	.	.	H	α-helix	trans	-67.5	-42.9	175.6	-70.1	177.1	-169.1	0	0	111.5	K156 S157 K163 R164	K156-E160 WeakPolarHBondContact CE-OE1 3.34Å; K156-E160 WeakPolarHBondContact O-CG 3.4Å; K156-E160 PolarHBondContact O-N 3.41Å; S157-E160 PolarHBondContact O-N 3.31Å; S157-E160 VanDerWaalsContact O-N 3.16Å; E160-K163 PolarHBondContact O-N 2.68Å; E160-R164 WeakPolarHBondContact O-CB 3.22Å; E160-R164 WeakPolarHBondContact O-CG 3.42Å; E160-R164 PolarHBondContact O-N 3.14Å; E160-R164 IonicContact OE2-NH1 3.03Å; E160-R164 PolarHBondContact OE2-NH1 3.09Å
161	H	97.5	Very high	97.2	Very high	30 Å²	30	42.4 Å²	42.4	14%	0.139	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-44.4	174.2	-87.9	-97.6	0	0	0	111.7	N79 S157 S158 K163 R164 H165	N79-H161 WeakPolarHBondContact O-CB 3.15Å; N79-H161 PolarHBondContact O-ND1 3.36Å; S157-H161 WeakPolarHBondContact O-CB 3.47Å; S157-H161 PolarHBondContact O-CD2 3.44Å; S157-H161 VanDerWaalsContact O-CD2 3.24Å; S157-H161 PolarHBondContact O-N 3.15Å; S158-H161 PolarHBondContact O-N 3.27Å; H161-K163 PolarHBondContact O-N 2.9Å; H161-R164 PolarHBondContact CD2-NH2 3.38Å; H161-R164 PolarHBondContact NE2-NH2 3.18Å; H161-R164 PolarHBondContact O-N 3.49Å; H161-H165 AromaticContact ND1-CE1 3.4Å; H161-H165 PolarHBondContact ND1-CE1 2.04Å; H161-H165 AromaticContact ND1-ND1 3.81Å; H161-H165 WeakPolarHBondContact O-CB 3.44Å; H161-H165 PolarHBondContact O-N 3.33Å; H161-H165 PolarHBondContact O-ND1 3.04Å
162	F	98	Very high	97.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-55.1	-52.7	173	161.4	-104.3	0	0	0	111.1	I80 Y138 S158 R164 H165 T166 L171 Y172 L225 N227	I80-F162 HydrophobicContact CD1-CD2 4.46Å; I80-F162 HydrophobicContact CG2-CB 3.92Å; Y138-F162 HydrophobicContact CD2-CD2 4.12Å; Y138-F162 AromaticContact CD2-CE2 3.82Å; Y138-F162 HydrophobicContact CD2-CE2 3.82Å; Y138-F162 HydrophobicContact CG-CD2 4.3Å; Y138-F162 HydrophobicContact CG-CE2 4.38Å; S158-F162 VanDerWaalsContact O-CB 3.29Å; S158-F162 WeakPolarHBondContact O-CB 3.36Å; S158-F162 PolarHBondContact O-N 3.12Å; F162-R164 VanDerWaalsContact C-N 3.27Å; F162-R164 PolarHBondContact O-N 2.86Å; F162-H165 PolarHBondContact O-N 3.2Å; F162-T166 HydrophobicContact CD2-CG2 3.52Å; F162-T166 HydrophobicContact CE2-CG2 3.77Å; F162-T166 WeakPolarHBondContact CE2-OG1 3.46Å; F162-T166 HydrophobicContact CG-CG2 4.47Å; F162-T166 WeakPolarHBondContact O-CB 3.23Å; F162-T166 WeakPolarHBondContact O-CG2 3.27Å; F162-T166 PolarHBondContact O-N 2.79Å; F162-T166 PolarHBondContact O-OG1 2.89Å; F162-L171 VanDerWaalsContact CZ-C 3.5Å; F162-Y172 HydrophobicContact CB-CD1 3.96Å; F162-Y172 HydrophobicContact CB-CE1 4.44Å; F162-Y172 HydrophobicContact CB-CG 4.4Å; F162-Y172 HydrophobicContact CD1-CD1 4.07Å; F162-Y172 HydrophobicContact CD1-CG 4.23Å; F162-Y172 HydrophobicContact CD2-CG 4.22Å; F162-Y172 AromaticContact CG-CD1 3.94Å; F162-Y172 HydrophobicContact CG-CD1 3.94Å; F162-Y172 HydrophobicContact CG-CG 4.02Å; F162-L225 HydrophobicContact CD1-CD2 4.11Å; F162-L225 HydrophobicContact CE1-CD2 4.45Å; F162-L225 HydrophobicContact CE1-CG 4.39Å; F162-N227 HydrophobicContact CE1-CB 3.8Å; F162-N227 HydrophobicContact CZ-CB 3.84Å
163	K	97.8	Very high	97.3	Very high	66 Å²	66	37.2 Å²	37.2	29%	0.287	19%	0.194	S	C	.	.	H	α-helix	trans	-58.2	-41.4	177.8	-75.4	175.4	173.8	169.7	0	111.5	S159 E160 H161 N227 K229	S159-K163 WeakPolarHBondContact O-CG 3.27Å; S159-K163 PolarHBondContact O-N 2.96Å; E160-K163 PolarHBondContact O-N 2.68Å; H161-K163 PolarHBondContact O-N 2.9Å; K163-N227 PolarHBondContact O-ND2 3.45Å; K163-K229 WeakPolarHBondContact O-CD 3.42Å; K163-K229 WeakPolarHBondContact O-CE 3.46Å; K163-K229 PolarHBondContact O-NZ 3.47Å
164	R	96.3	Very high	97.4	Very high	120 Å²	120	33.1 Å²	33.1	45%	0.453	18%	0.175	S	C	.	.	H	α-helix	trans	-66.1	-45.7	-179.5	-77.5	-167.9	-65.1	-97.1	2.2	113.1	E160 H161 F162 K229	E160-R164 WeakPolarHBondContact O-CB 3.22Å; E160-R164 WeakPolarHBondContact O-CG 3.42Å; E160-R164 PolarHBondContact O-N 3.14Å; E160-R164 IonicContact OE2-NH1 3.03Å; E160-R164 PolarHBondContact OE2-NH1 3.09Å; H161-R164 PolarHBondContact CD2-NH2 3.38Å; H161-R164 PolarHBondContact NE2-NH2 3.18Å; H161-R164 PolarHBondContact O-N 3.49Å; F162-R164 VanDerWaalsContact C-N 3.27Å; F162-R164 PolarHBondContact O-N 2.86Å; R164-K229 PolarHBondContact O-NZ 2.81Å
165	H	96	Very high	97.3	Very high	96 Å²	96	33.9 Å²	33.9	44%	0.444	18%	0.178	S	C	.	.	H	α-helix	trans	-101.4	-4	-166.2	-58.6	95.6	0	0	0	114.9	H161 F162	H161-H165 AromaticContact ND1-CE1 3.4Å; H161-H165 PolarHBondContact ND1-CE1 2.04Å; H161-H165 AromaticContact ND1-ND1 3.81Å; H161-H165 WeakPolarHBondContact O-CB 3.44Å; H161-H165 PolarHBondContact O-N 3.33Å; H161-H165 PolarHBondContact O-ND1 3.04Å; F162-H165 PolarHBondContact O-N 3.2Å
166	T	96.7	Very high	97.1	Very high	8 Å²	8	35.1 Å²	35.1	5%	0.049	18%	0.184	C	C	.	.	S	Bend	trans	-108.4	154.2	179	66	0	0	0	0	112.2	I80 Y138 F162 N227	I80-T166 HydrophobicContact CD1-CG2 3.73Å; Y138-T166 HydrophobicContact CD2-CG2 3.8Å; Y138-T166 HydrophobicContact CE1-CG2 4.22Å; Y138-T166 HydrophobicContact CE2-CG2 3.32Å; Y138-T166 HydrophobicContact CG-CG2 4.42Å; F162-T166 HydrophobicContact CD2-CG2 3.52Å; F162-T166 HydrophobicContact CE2-CG2 3.77Å; F162-T166 WeakPolarHBondContact CE2-OG1 3.46Å; F162-T166 HydrophobicContact CG-CG2 4.47Å; F162-T166 WeakPolarHBondContact O-CB 3.23Å; F162-T166 WeakPolarHBondContact O-CG2 3.27Å; F162-T166 PolarHBondContact O-N 2.79Å; F162-T166 PolarHBondContact O-OG1 2.89Å; T166-N227 PolarHBondContact O-ND2 3.48Å; T166-N227 PolarHBondContact OG1-ND2 3.16Å
167	P	95.2	Very high	96.9	Very high	77 Å²	77	34.6 Å²	34.6	50%	0.5	18%	0.184	S	C	.	.			trans	-59.4	155.5	173.4	-23.7	33.6	0	0	0	113	S170 N227	P167-S170 WeakPolarHBondContact CD-OG 3.3Å; P167-S170 WeakPolarHBondContact O-CB 3.42Å; P167-S170 PolarHBondContact O-N 2.97Å; P167-S170 PolarHBondContact O-OG 2.89Å; P167-N227 PolarHBondContact O-ND2 2.75Å
168	S	95.5	Very high	96.7	Very high	73 Å²	73	37.4 Å²	37.4	51%	0.51	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	145	166.7	-170.4	0	0	0	0	110.7	S170 K229	S168-S170 VanDerWaalsContact C-N 3.27Å; S168-S170 PolarHBondContact O-N 3.45Å; S168-K229 WeakPolarHBondContact CB-O 3.27Å; S168-K229 PolarHBondContact OG-O 3.22Å
169	G	94.8	Very high	96.4	Very high	38 Å²	38	41.3 Å²	41.3	39%	0.392	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	0.7	-172	0	0	0	0	0	114.8	N227	G169-N227 PolarHBondContact N-O 3.18Å
170	S	97.3	Very high	96	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.241	C	C	.	.			trans	-68.6	157.1	172.5	-59.4	0	0	0	0	111.9	T136 P167 S168 N227	T136-S170 WeakPolarHBondContact O-CA 3.21Å; T136-S170 WeakPolarHBondContact O-CB 3.3Å; P167-S170 WeakPolarHBondContact CD-OG 3.3Å; P167-S170 WeakPolarHBondContact O-CB 3.42Å; P167-S170 PolarHBondContact O-N 2.97Å; P167-S170 PolarHBondContact O-OG 2.89Å; S168-S170 VanDerWaalsContact C-N 3.27Å; S168-S170 PolarHBondContact O-N 3.45Å; S170-N227 PolarHBondContact O-N 2.69Å
171	L	98.1	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.4	-178.8	-172	66.9	0	0	0	110.7	M133 T136 T137 Y138 F162 L173 A224 D226	M133-L171 HydrophobicContact SD-CB 4.38Å; T136-L171 PolarHBondContact O-N 3.46Å; T137-L171 CarbonylContact C-O 3.48Å; T137-L171 VanDerWaalsContact CA-O 3.25Å; T137-L171 WeakPolarHBondContact CA-O 3.34Å; T137-L171 HydrophobicContact CG2-CB 4.34Å; T137-L171 HydrophobicContact CG2-CD2 4.36Å; Y138-L171 PolarHBondContact N-O 3.3Å; F162-L171 VanDerWaalsContact CZ-C 3.5Å; L171-L173 HydrophobicContact CD2-CD1 4.46Å; L171-L173 HydrophobicContact CD2-CD2 3.83Å; L171-L173 HydrophobicContact CD2-CG 4.21Å; L171-L173 HydrophobicContact CG-CD2 3.94Å; L171-L173 HydrophobicContact CG-CG 4.28Å; L171-A224 HydrophobicContact CD1-CB 3.83Å; L171-D226 VanDerWaalsContact CD1-OD1 3.24Å; L171-D226 WeakPolarHBondContact CD1-OD1 3.26Å
172	Y	98.5	Very high	95.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.5	172.6	-176.9	-157.1	0	0	0	110.7	N98 V100 Y138 S158 F162 Y190 A224 L225	N98-Y172 PolarHBondContact ND2-OH 3.44Å; V100-Y172 HydrophobicContact CG1-CE2 3.91Å; V100-Y172 HydrophobicContact CG2-CE2 4.01Å; V100-Y172 VanDerWaalsContact CG2-OH 3.3Å; V100-Y172 WeakPolarHBondContact CG2-OH 3.33Å; Y138-Y172 CarbonylContact O-C 3.58Å; Y138-Y172 WeakPolarHBondContact O-CA 3.48Å; Y138-Y172 WeakPolarHBondContact O-CD2 3.46Å; S158-Y172 PolarHBondContact OG-OH 3.21Å; F162-Y172 HydrophobicContact CB-CD1 3.96Å; F162-Y172 HydrophobicContact CB-CE1 4.44Å; F162-Y172 HydrophobicContact CB-CG 4.4Å; F162-Y172 HydrophobicContact CD1-CD1 4.07Å; F162-Y172 HydrophobicContact CD1-CG 4.23Å; F162-Y172 HydrophobicContact CD2-CG 4.22Å; F162-Y172 AromaticContact CG-CD1 3.94Å; F162-Y172 HydrophobicContact CG-CD1 3.94Å; F162-Y172 HydrophobicContact CG-CG 4.02Å; Y172-Y190 WeakPolarHBondContact CD1-OH 3.44Å; Y172-Y190 WeakPolarHBondContact CE1-OH 3.48Å; Y172-A224 CarbonylContact O-C 3.59Å; Y172-A224 VanDerWaalsContact O-CA 3.31Å; Y172-A224 WeakPolarHBondContact O-CA 3.28Å; Y172-L225 HydrophobicContact CD1-CD2 4.47Å; Y172-L225 PolarHBondContact N-O 2.94Å; Y172-L225 PolarHBondContact O-N 2.92Å
173	L	98.2	Very high	95.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	137.8	-177.1	-61.3	-178	0	0	0	111.1	Y126 T137 Y138 I139 S140 L171 L193 L222 Y223 A224	Y126-L173 HydrophobicContact CD1-CD1 3.66Å; Y126-L173 HydrophobicContact CE1-CD1 4.43Å; Y126-L173 HydrophobicContact CG-CD1 4.06Å; T137-L173 HydrophobicContact CG2-CD1 3.66Å; T137-L173 HydrophobicContact CG2-CG 3.9Å; Y138-L173 PolarHBondContact O-N 2.8Å; I139-L173 WeakPolarHBondContact CA-O 3.43Å; I139-L173 HydrophobicContact CG1-CB 4.32Å; S140-L173 PolarHBondContact N-O 3.45Å; L171-L173 HydrophobicContact CD2-CD1 4.46Å; L171-L173 HydrophobicContact CD2-CD2 3.83Å; L171-L173 HydrophobicContact CD2-CG 4.21Å; L171-L173 HydrophobicContact CG-CD2 3.94Å; L171-L173 HydrophobicContact CG-CG 4.28Å; L173-L193 HydrophobicContact CD2-CD1 3.64Å; L173-L222 HydrophobicContact CB-CD1 4.23Å; L173-Y223 WeakPolarHBondContact CA-O 3.43Å; L173-A224 HydrophobicContact CD2-CB 3.79Å
174	L	97.7	Very high	95.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	147.5	171.9	63.3	85.7	0	0	0	111.9	I155 E176 L185 Y190 Y223	I155-L174 HydrophobicContact CG2-CD2 4.2Å; L174-E176 HydrophobicContact CD1-CB 4.06Å; L174-E176 HydrophobicContact CD1-CG 3.56Å; L174-L185 HydrophobicContact CD1-CD1 3.96Å; L174-L185 HydrophobicContact CD1-CD2 4.01Å; L174-L185 HydrophobicContact CD2-CD2 4.33Å; L174-Y190 HydrophobicContact CD2-CD1 4.22Å; L174-Y190 HydrophobicContact CD2-CE1 3.38Å; L174-Y190 HydrophobicContact CD2-CE2 4.49Å; L174-Y190 WeakPolarHBondContact CD2-OH 3.18Å; L174-Y190 HydrophobicContact CG-CD1 4.33Å; L174-Y190 HydrophobicContact CG-CE1 3.8Å; L174-Y223 HydrophobicContact CD1-CD2 4.44Å; L174-Y223 PolarHBondContact N-O 3.23Å; L174-Y223 VanDerWaalsContact N-O 3.08Å; L174-Y223 PolarHBondContact O-N 3.46Å
175	W	96.3	Very high	96	Very high	15 Å²	15	45 Å²	45	6%	0.057	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	138.5	168.9	-69.4	101.1	0	0	0	110.3	Y126 R143 C205 W207 Q220 C221 L222	Y126-W175 AromaticContact CE1-NE1 3.44Å; Y126-W175 AromaticContact CZ-NE1 3.45Å; Y126-W175 PolarHBondContact OH-NE1 2.9Å; R143-W175 PolarHBondContact NH2-O 3.41Å; R143-W175 VanDerWaalsContact NH2-O 3.09Å; W175-C205 HydrophobicContact CH2-CB 3.84Å; W175-C205 WeakPolarHBondContact CH2-O 3.21Å; W175-W207 HydrophobicContact CD2-CZ2 4.17Å; W175-W207 AromaticContact CD2-NE1 3.64Å; W175-W207 AromaticContact CE2-CZ2 3.9Å; W175-W207 AromaticContact CE2-NE1 3.76Å; W175-W207 AromaticContact CE3-NE1 3.32Å; W175-W207 VanDerWaalsContact CE3-NE1 3.32Å; W175-W207 HydrophobicContact CG-CZ2 4.42Å; W175-W207 AromaticContact CH2-CD1 3.94Å; W175-W207 AromaticContact CH2-NE1 3.31Å; W175-W207 VanDerWaalsContact CH2-NE1 3.31Å; W175-W207 HydrophobicContact CZ2-CZ2 4.22Å; W175-W207 AromaticContact CZ2-NE1 3.63Å; W175-W207 AromaticContact CZ3-CD1 3.71Å; W175-W207 AromaticContact CZ3-NE1 3.16Å; W175-W207 AromaticContact NE1-CZ2 3.97Å; W175-Q220 HydrophobicContact CE3-CB 4.45Å; W175-C221 WeakPolarHBondContact CA-O 3.09Å; W175-L222 HydrophobicContact CD2-CB 4.28Å; W175-L222 HydrophobicContact CD2-CD1 4.18Å; W175-L222 HydrophobicContact CE3-CB 4.01Å; W175-L222 HydrophobicContact CG-CD1 4.45Å; W175-L222 HydrophobicContact CH2-CB 3.97Å; W175-L222 HydrophobicContact CZ2-CB 4.22Å; W175-L222 HydrophobicContact CZ2-CD1 4.42Å; W175-L222 HydrophobicContact CZ3-CB 3.85Å
176	E	95.2	Very high	96.1	Very high	28 Å²	28	45.8 Å²	45.8	13%	0.131	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	157.6	176.1	-94.3	-63.1	153.7	0	0	111.7	R143 I155 L174 K178 S181 L185 C221 Y223	R143-E176 IonicContact CZ-OE1 3.47Å; R143-E176 IonicContact NE-OE1 2.62Å; R143-E176 PolarHBondContact NE-OE1 3.34Å; R143-E176 IonicContact NH2-OE1 3.6Å; R143-E176 PolarHBondContact NH2-OE1 3Å; I155-E176 HydrophobicContact CD1-CG 4.45Å; L174-E176 HydrophobicContact CD1-CB 4.06Å; L174-E176 HydrophobicContact CD1-CG 3.56Å; E176-K178 PolarHBondContact O-N 3.17Å; E176-S181 VanDerWaalsContact OE2-CB 3.3Å; E176-S181 WeakPolarHBondContact OE2-CB 3.13Å; E176-S181 PolarHBondContact OE2-OG 3.41Å; E176-L185 HydrophobicContact CB-CD1 3.79Å; E176-L185 HydrophobicContact CG-CD1 3.92Å; E176-C221 PolarHBondContact N-O 3.23Å; E176-C221 PolarHBondContact O-N 3.48Å; E176-Y223 HydrophobicContact CB-CD2 4.11Å; E176-Y223 HydrophobicContact CB-CE2 4.04Å
177	M	93.5	Very high	96.1	Very high	73 Å²	73	49.5 Å²	49.5	36%	0.36	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	118	168.8	-75.8	-175.7	-68.5	0	0	109.1	S179 N180 S181 D219	M177-S179 VanDerWaalsContact C-N 3.3Å; M177-S179 PolarHBondContact O-N 3.14Å; M177-N180 HydrophobicContact CB-CB 4.42Å; M177-N180 WeakPolarHBondContact CE-ND2 3.48Å; M177-N180 PolarHBondContact O-N 2.88Å; M177-S181 WeakPolarHBondContact O-CB 3.37Å; M177-S181 PolarHBondContact O-N 3.31Å; M177-D219 CarbonylContact C-O 3.52Å; M177-D219 VanDerWaalsContact CA-O 3.32Å; M177-D219 WeakPolarHBondContact CA-O 3.44Å; M177-D219 WeakPolarHBondContact CB-OD2 3.39Å
178	K	93.1	Very high	96.3	Very high	79 Å²	79	47.2 Å²	47.2	34%	0.343	25%	0.25	S	S	.	.	H	α-helix	trans	-60	-42.8	-178	-177.5	179.7	-179.6	-178	0	111.7	E176 N180 D182 D219 C221	E176-K178 PolarHBondContact O-N 3.17Å; K178-N180 PolarHBondContact O-N 3.26Å; K178-N180 VanDerWaalsContact O-N 3.15Å; K178-D182 HydrophobicContact CG-CB 4.03Å; K178-D182 VanDerWaalsContact O-CB 3.26Å; K178-D182 WeakPolarHBondContact O-CB 3.36Å; K178-D182 PolarHBondContact O-N 3.03Å; K178-D219 WeakPolarHBondContact CB-OD1 3.28Å; K178-D219 PolarHBondContact N-O 3.18Å; K178-D219 PolarHBondContact N-OD1 2.95Å; K178-C221 HydrophobicContact CB-CB 4.36Å; K178-C221 VanDerWaalsContact CB-SG 3.58Å
179	S	92.5	Very high	96.4	Very high	81 Å²	81	49.7 Å²	49.7	57%	0.566	26%	0.258	S	S	*	.	H	α-helix	trans	-50.9	-36.7	178.7	62.2	0	0	0	0	113.5	M177 D219	M177-S179 VanDerWaalsContact C-N 3.3Å; M177-S179 PolarHBondContact O-N 3.14Å; S179-D219 WeakPolarHBondContact CB-OD1 3.25Å; S179-D219 WeakPolarHBondContact CB-OD2 3.41Å; S179-D219 PolarHBondContact N-OD1 3.18Å; S179-D219 PolarHBondContact OG-OD1 3.46Å; S179-D219 PolarHBondContact OG-OD2 3.09Å
180	N	91.2	Very high	96.6	Very high	88 Å²	88	48.2 Å²	48.2	47%	0.471	24%	0.24	S	C	.	.	H	α-helix	trans	-102.2	-30.2	-172.5	-72	-31.9	0	0	0	114.3	R152 M177 K178	R152-N180 PolarHBondContact NH2-O 2.88Å; R152-N180 VanDerWaalsContact NH2-O 3.13Å; M177-N180 HydrophobicContact CB-CB 4.42Å; M177-N180 WeakPolarHBondContact CE-ND2 3.48Å; M177-N180 PolarHBondContact O-N 2.88Å; K178-N180 PolarHBondContact O-N 3.26Å; K178-N180 VanDerWaalsContact O-N 3.15Å
181	S	94.9	Very high	96.5	Very high	11 Å²	11	53.1 Å²	53.1	8%	0.077	26%	0.259	C	S	.	.	H	α-helix	trans	-118.6	-14.5	-162	-65.8	0	0	0	0	114.5	E176 M177 R183 F184 L185	E176-S181 VanDerWaalsContact OE2-CB 3.3Å; E176-S181 WeakPolarHBondContact OE2-CB 3.13Å; E176-S181 PolarHBondContact OE2-OG 3.41Å; M177-S181 WeakPolarHBondContact O-CB 3.37Å; M177-S181 PolarHBondContact O-N 3.31Å; S181-R183 PolarHBondContact O-N 3.42Å; S181-F184 PolarHBondContact O-N 3.41Å; S181-F184 VanDerWaalsContact O-N 3.14Å; S181-L185 WeakPolarHBondContact O-CB 3.48Å; S181-L185 WeakPolarHBondContact O-CG 3.43Å; S181-L185 PolarHBondContact O-N 3.23Å
182	D	96.2	Very high	96.4	Very high	27 Å²	27	56.3 Å²	56.3	14%	0.144	28%	0.276	C	S	.	.	H	α-helix	trans	-57.1	-50.4	-171.2	-173	66.1	0	0	0	113.7	K178 F184 L185 K186 Y223	K178-D182 HydrophobicContact CG-CB 4.03Å; K178-D182 VanDerWaalsContact O-CB 3.26Å; K178-D182 WeakPolarHBondContact O-CB 3.36Å; K178-D182 PolarHBondContact O-N 3.03Å; D182-F184 VanDerWaalsContact C-N 3.32Å; D182-F184 PolarHBondContact O-N 3.24Å; D182-L185 PolarHBondContact O-N 2.63Å; D182-K186 WeakPolarHBondContact O-CB 3.32Å; D182-K186 WeakPolarHBondContact O-CG 3.12Å; D182-K186 PolarHBondContact O-N 3.35Å; D182-K186 IonicContact OD1-NZ 3.97Å; D182-K186 VanDerWaalsContact OD2-CE 3.23Å; D182-K186 WeakPolarHBondContact OD2-CE 3.02Å; D182-K186 IonicContact OD2-NZ 2.68Å; D182-K186 PolarHBondContact OD2-NZ 2.85Å; D182-Y223 WeakPolarHBondContact CB-OH 3.35Å; D182-Y223 WeakPolarHBondContact OD1-CE1 3.46Å; D182-Y223 PolarHBondContact OD1-OH 3.38Å
183	R	98	Very high	96.1	Very high	224 Å²	224	57.8 Å²	57.8	85%	0.845	28%	0.283	S	S	*	.	H	α-helix	trans	-61.5	-42.3	178.8	-173	-174.7	-61.4	171.8	1.9	111.8	S181 S187	S181-R183 PolarHBondContact O-N 3.42Å; R183-S187 PolarHBondContact O-N 2.6Å; R183-S187 VanDerWaalsContact O-N 3.11Å
184	F	98.4	Very high	95.9	Very high	28 Å²	28	58.4 Å²	58.4	12%	0.123	29%	0.289	C	S	.	.	H	α-helix	trans	-66	-48.2	179.9	163.3	-106.4	0	0	0	111.1	R152 I155 S181 D182 K186 S187 L188	R152-F184 HydrophobicContact CB-CD1 4.45Å; R152-F184 HydrophobicContact CB-CD2 4.26Å; R152-F184 HydrophobicContact CB-CE1 3.96Å; R152-F184 HydrophobicContact CB-CE2 3.75Å; R152-F184 HydrophobicContact CB-CZ 3.57Å; R152-F184 HydrophobicContact CG-CD1 3.78Å; R152-F184 HydrophobicContact CG-CD2 4Å; R152-F184 HydrophobicContact CG-CE1 3.74Å; R152-F184 HydrophobicContact CG-CE2 3.97Å; R152-F184 HydrophobicContact CG-CG 3.9Å; R152-F184 HydrophobicContact CG-CZ 3.83Å; R152-F184 VanDerWaalsContact O-CZ 3.26Å; R152-F184 WeakPolarHBondContact O-CZ 3.42Å; I155-F184 HydrophobicContact CB-CE1 3.91Å; I155-F184 HydrophobicContact CB-CZ 4.2Å; I155-F184 HydrophobicContact CD1-CE1 4Å; I155-F184 HydrophobicContact CG2-CE1 3.79Å; I155-F184 HydrophobicContact CG2-CZ 4.2Å; S181-F184 PolarHBondContact O-N 3.41Å; S181-F184 VanDerWaalsContact O-N 3.14Å; D182-F184 VanDerWaalsContact C-N 3.32Å; D182-F184 PolarHBondContact O-N 3.24Å; F184-K186 VanDerWaalsContact C-N 3.34Å; F184-K186 PolarHBondContact O-N 3.02Å; F184-S187 WeakPolarHBondContact O-CB 3.35Å; F184-S187 PolarHBondContact O-N 3.14Å; F184-S187 VanDerWaalsContact O-N 3.1Å; F184-S187 PolarHBondContact O-OG 2.97Å; F184-L188 HydrophobicContact CE1-CD1 3.91Å; F184-L188 HydrophobicContact CE2-CD1 3.85Å; F184-L188 HydrophobicContact CE2-CG 4.23Å; F184-L188 HydrophobicContact CZ-CD1 3.41Å; F184-L188 VanDerWaalsContact CZ-CD1 3.41Å; F184-L188 HydrophobicContact CZ-CG 4.27Å; F184-L188 PolarHBondContact O-N 3.46Å
185	L	98.5	Very high	95.5	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-41.7	177.9	-71.5	176.9	0	0	0	112.1	I155 L174 E176 S181 D182 S187 L188 N189 Y190 Y223	I155-L185 HydrophobicContact CG2-CD2 3.94Å; L174-L185 HydrophobicContact CD1-CD1 3.96Å; L174-L185 HydrophobicContact CD1-CD2 4.01Å; L174-L185 HydrophobicContact CD2-CD2 4.33Å; E176-L185 HydrophobicContact CB-CD1 3.79Å; E176-L185 HydrophobicContact CG-CD1 3.92Å; S181-L185 WeakPolarHBondContact O-CB 3.48Å; S181-L185 WeakPolarHBondContact O-CG 3.43Å; S181-L185 PolarHBondContact O-N 3.23Å; D182-L185 PolarHBondContact O-N 2.63Å; L185-S187 VanDerWaalsContact C-N 3.3Å; L185-S187 PolarHBondContact O-N 2.69Å; L185-L188 CarbonylContact O-C 3.44Å; L185-L188 WeakPolarHBondContact O-CA 3.44Å; L185-L188 WeakPolarHBondContact O-CB 3.34Å; L185-L188 PolarHBondContact O-N 2.6Å; L185-N189 PolarHBondContact O-N 3.5Å; L185-Y190 HydrophobicContact CB-CG 4.36Å; L185-Y190 HydrophobicContact CD2-CD2 4.07Å; L185-Y190 HydrophobicContact CD2-CE2 4.33Å; L185-Y190 HydrophobicContact CD2-CG 4.2Å; L185-Y190 WeakPolarHBondContact O-CB 3.32Å; L185-Y190 PolarHBondContact O-N 3.36Å; L185-Y223 HydrophobicContact CB-CD1 4.26Å; L185-Y223 HydrophobicContact CB-CE1 4.4Å; L185-Y223 HydrophobicContact CD1-CD1 3.76Å; L185-Y223 HydrophobicContact CD1-CD2 3.44Å; L185-Y223 VanDerWaalsContact CD1-CD2 3.44Å; L185-Y223 HydrophobicContact CD1-CE1 3.92Å; L185-Y223 HydrophobicContact CD1-CE2 3.61Å; L185-Y223 HydrophobicContact CD1-CG 3.51Å
186	K	98.1	Very high	94.6	Very high	112 Å²	112	58.3 Å²	58.3	49%	0.487	29%	0.29	S	S	.	.	H	α-helix	trans	-59.1	-39.5	173.5	-76.4	172.3	176.1	168.4	0	112.5	D182 F184 L188 N189	D182-K186 WeakPolarHBondContact O-CB 3.32Å; D182-K186 WeakPolarHBondContact O-CG 3.12Å; D182-K186 PolarHBondContact O-N 3.35Å; D182-K186 IonicContact OD1-NZ 3.97Å; D182-K186 VanDerWaalsContact OD2-CE 3.23Å; D182-K186 WeakPolarHBondContact OD2-CE 3.02Å; D182-K186 IonicContact OD2-NZ 2.68Å; D182-K186 PolarHBondContact OD2-NZ 2.85Å; F184-K186 VanDerWaalsContact C-N 3.34Å; F184-K186 PolarHBondContact O-N 3.02Å; K186-L188 PolarHBondContact O-N 2.86Å; K186-N189 WeakPolarHBondContact O-CA 3.48Å; K186-N189 PolarHBondContact O-N 2.9Å
187	S	98	Very high	93.6	Very high	85 Å²	85	60.3 Å²	60.3	59%	0.594	30%	0.302	S	S	*	.	H	α-helix	trans	-63.1	-22.8	174.8	78	0	0	0	0	113.6	R183 F184 L185 N189	R183-S187 PolarHBondContact O-N 2.6Å; R183-S187 VanDerWaalsContact O-N 3.11Å; F184-S187 WeakPolarHBondContact O-CB 3.35Å; F184-S187 PolarHBondContact O-N 3.14Å; F184-S187 VanDerWaalsContact O-N 3.1Å; F184-S187 PolarHBondContact O-OG 2.97Å; L185-S187 VanDerWaalsContact C-N 3.3Å; L185-S187 PolarHBondContact O-N 2.69Å; S187-N189 VanDerWaalsContact C-N 3.34Å
188	L	98	Very high	92.2	Very high	29 Å²	29	61.2 Å²	61.2	15%	0.152	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	6.7	173	-63.6	-177.4	0	0	0	113.4	I155 K156 F184 L185 K186 Y190 L225	I155-L188 HydrophobicContact CG2-CD1 3.99Å; K156-L188 HydrophobicContact CB-CD1 4.31Å; K156-L188 HydrophobicContact CG-CD2 4.15Å; F184-L188 HydrophobicContact CE1-CD1 3.91Å; F184-L188 HydrophobicContact CE2-CD1 3.85Å; F184-L188 HydrophobicContact CE2-CG 4.23Å; F184-L188 HydrophobicContact CZ-CD1 3.41Å; F184-L188 VanDerWaalsContact CZ-CD1 3.41Å; F184-L188 HydrophobicContact CZ-CG 4.27Å; F184-L188 PolarHBondContact O-N 3.46Å; L185-L188 CarbonylContact O-C 3.44Å; L185-L188 WeakPolarHBondContact O-CA 3.44Å; L185-L188 WeakPolarHBondContact O-CB 3.34Å; L185-L188 PolarHBondContact O-N 2.6Å; K186-L188 PolarHBondContact O-N 2.86Å; L188-Y190 HydrophobicContact CB-CD2 3.8Å; L188-Y190 HydrophobicContact CB-CE2 4.03Å; L188-Y190 HydrophobicContact CD1-CE2 4.4Å; L188-L225 WeakPolarHBondContact O-CD1 3.45Å
189	N	97.9	Very high	90.3	Very high	125 Å²	125	64 Å²	64	67%	0.668	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	26.5	-174.8	-56.4	-70.7	0	0	0	115	L185 K186 S187 L225	L185-N189 PolarHBondContact O-N 3.5Å; K186-N189 WeakPolarHBondContact O-CA 3.48Å; K186-N189 PolarHBondContact O-N 2.9Å; S187-N189 VanDerWaalsContact C-N 3.34Å; N189-L225 HydrophobicContact CB-CD1 4.37Å
190	Y	98.5	Very high	88.4	Confident	7 Å²	7	67.8 Å²	67.8	3%	0.027	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-74.4	138.2	167.2	-77.4	-102.4	0	0	0	110.8	S159 Y172 L174 L185 L188 A224 L225	S159-Y190 WeakPolarHBondContact OG-CE2 3.4Å; S159-Y190 PolarHBondContact OG-OH 3.45Å; Y172-Y190 WeakPolarHBondContact CD1-OH 3.44Å; Y172-Y190 WeakPolarHBondContact CE1-OH 3.48Å; L174-Y190 HydrophobicContact CD2-CD1 4.22Å; L174-Y190 HydrophobicContact CD2-CE1 3.38Å; L174-Y190 HydrophobicContact CD2-CE2 4.49Å; L174-Y190 WeakPolarHBondContact CD2-OH 3.18Å; L174-Y190 HydrophobicContact CG-CD1 4.33Å; L174-Y190 HydrophobicContact CG-CE1 3.8Å; L185-Y190 HydrophobicContact CB-CG 4.36Å; L185-Y190 HydrophobicContact CD2-CD2 4.07Å; L185-Y190 HydrophobicContact CD2-CE2 4.33Å; L185-Y190 HydrophobicContact CD2-CG 4.2Å; L185-Y190 WeakPolarHBondContact O-CB 3.32Å; L185-Y190 PolarHBondContact O-N 3.36Å; L188-Y190 HydrophobicContact CB-CD2 3.8Å; L188-Y190 HydrophobicContact CB-CE2 4.03Å; L188-Y190 HydrophobicContact CD1-CE2 4.4Å; Y190-A224 CarbonylContact C-O 3.57Å; Y190-A224 WeakPolarHBondContact CA-O 3.43Å; Y190-A224 VanDerWaalsContact CD1-C 3.45Å; Y190-L225 HydrophobicContact CD1-CB 3.66Å; Y190-L225 HydrophobicContact CD2-CB 4.11Å; Y190-L225 HydrophobicContact CD2-CD1 4.35Å; Y190-L225 HydrophobicContact CD2-CD2 4.47Å; Y190-L225 HydrophobicContact CE1-CB 3.38Å; Y190-L225 HydrophobicContact CE1-CD2 4.44Å; Y190-L225 HydrophobicContact CE2-CB 3.89Å; Y190-L225 HydrophobicContact CE2-CD1 4.39Å; Y190-L225 HydrophobicContact CE2-CD2 3.72Å; Y190-L225 HydrophobicContact CE2-CG 4.23Å; Y190-L225 HydrophobicContact CG-CB 4Å
191	R	96.4	Very high	86.4	Confident	103 Å²	103	70 Å²	70	39%	0.389	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	137.7	169.6	62.1	-170.8	169.9	97.2	2.5	110.6	L193 Y223 A224 D226	R191-L193 HydrophobicContact CG-CD2 4.16Å; R191-Y223 CarbonylContact O-C 3.55Å; R191-Y223 WeakPolarHBondContact O-CA 3.34Å; R191-A224 HydrophobicContact CG-CB 3.83Å; R191-A224 PolarHBondContact N-O 3.34Å; R191-A224 PolarHBondContact O-N 3.26Å; R191-D226 IonicContact CZ-OD1 3.06Å; R191-D226 IonicContact CZ-OD2 3.91Å; R191-D226 IonicContact NE-OD1 3.77Å; R191-D226 IonicContact NE-OD2 3.91Å; R191-D226 PolarHBondContact NE-OD2 3.38Å; R191-D226 IonicContact NH2-OD1 3.59Å; R191-D226 PolarHBondContact NH2-OD1 3.07Å; R191-D226 IonicContact NH2-OD2 3.09Å
192	L	94.9	Very high	84.3	Confident	67 Å²	67	75.1 Å²	75.1	35%	0.351	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	127.5	171.4	176.5	62.4	0	0	0	109.2	C221 Y223	L192-C221 HydrophobicContact CD1-CB 3.62Å; L192-Y223 HydrophobicContact CB-CD1 4.19Å; L192-Y223 HydrophobicContact CB-CE1 3.9Å; L192-Y223 HydrophobicContact CD1-CD1 4.24Å; L192-Y223 HydrophobicContact CD1-CE1 3.79Å; L192-Y223 HydrophobicContact CD1-CE2 4.14Å; L192-Y223 HydrophobicContact CG-CE1 4.41Å
193	L	93.3	Very high	83	Confident	31 Å²	31	74.4 Å²	74.4	16%	0.162	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-47.6	-179.3	-64.4	-178.7	0	0	0	112.9	H129 L173 R191 L222 A224	H129-L193 HydrophobicContact CB-CD1 3.72Å; L173-L193 HydrophobicContact CD2-CD1 3.64Å; R191-L193 HydrophobicContact CG-CD2 4.16Å; L193-L222 HydrophobicContact CB-CB 4.38Å; L193-L222 HydrophobicContact CB-CD2 4.34Å; L193-L222 HydrophobicContact CB-CG 4.26Å; L193-L222 WeakPolarHBondContact CB-O 3.31Å; L193-L222 HydrophobicContact CD1-CD2 3.81Å; L193-L222 HydrophobicContact CD1-CG 3.89Å; L193-L222 PolarHBondContact N-O 3.22Å; L193-A224 HydrophobicContact CD1-CB 3.51Å; L193-A224 HydrophobicContact CD2-CB 3.88Å; L193-A224 HydrophobicContact CG-CB 3.75Å
194	A	92.5	Very high	82.5	Confident	14 Å²	14	67.5 Å²	67.5	12%	0.116	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	153.5	-174.5	0	0	0	0	0	110.7	C205 C221 L222	A194-C205 HydrophobicContact CB-CB 3.68Å; A194-C221 CarbonylContact O-C 3.52Å; A194-C221 WeakPolarHBondContact O-CA 3.35Å; A194-C221 WeakPolarHBondContact O-CB 3.27Å; A194-L222 PolarHBondContact N-O 3.25Å; A194-L222 PolarHBondContact O-N 3.04Å
195	C	89.2	Confident	82.1	Confident	11 Å²	11	66.4 Å²	66.4	7%	0.074	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	157.1	171.2	-68.1	0	0	0	0	109.1	N197 C221	C195-N197 VanDerWaalsContact CB-OD1 3.32Å; C195-N197 WeakPolarHBondContact CB-OD1 3.42Å; C195-N197 PolarHBondContact O-N 3.45Å; C195-N197 VanDerWaalsContact O-N 3.14Å; C195-C221 HydrophobicContact CB-CB 4.19Å; C195-C221 WeakPolarHBondContact CB-SG 3.41Å; C195-C221 WeakPolarHBondContact SG-CB 3.3Å; C195-C221 CovalentContact SG-SG 2.04Å; C195-C221 PolarHBondContact SG-SG 3.28Å
196	G	78.5	Confident	81.9	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.01	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-13.8	179.1	0	0	0	0	0	115.3	R208 A217 N218 Q220	G196-R208 PolarHBondContact O-NH2 3.39Å; G196-A217 WeakPolarHBondContact CA-O 3.26Å; G196-N218 PolarHBondContact O-OD1 2.98Å; G196-Q220 PolarHBondContact N-O 3.11Å
197	N	73.8	Confident	81.6	Confident	70 Å²	70	61.5 Å²	61.5	37%	0.374	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	1.4	-172.4	72	-21.2	0	0	0	116.1	C195 N199 N218	C195-N197 VanDerWaalsContact CB-OD1 3.32Å; C195-N197 WeakPolarHBondContact CB-OD1 3.42Å; C195-N197 PolarHBondContact O-N 3.45Å; C195-N197 VanDerWaalsContact O-N 3.14Å; N197-N199 PolarHBondContact O-N 2.8Å; N197-N199 VanDerWaalsContact O-N 3.15Å; N197-N218 WeakPolarHBondContact CA-OD1 3.23Å; N197-N218 HydrophobicContact CB-CB 4Å; N197-N218 WeakPolarHBondContact CB-OD1 3.44Å
198	N	63.9	Low	81.4	Confident	93 Å²	93	61.3 Å²	61.3	50%	0.497	31%	0.313	S	S	.	.			trans	-76.5	104.4	-179.9	-80	-7.7	0	0	0	110.5	D200 Q201	N198-D200 VanDerWaalsContact C-N 3.26Å; N198-D200 PolarHBondContact O-N 2.76Å; N198-Q201 CarbonylContact O-C 3.53Å; N198-Q201 VanDerWaalsContact O-C 3.3Å; N198-Q201 PolarHBondContact O-N 3.38Å
199	N	53.6	Low	81	Confident	136 Å²	136	64.9 Å²	64.9	73%	0.727	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-28.7	-179.5	-71	-22.6	0	0	0	113.7	N197 Q201	N197-N199 PolarHBondContact O-N 2.8Å; N197-N199 VanDerWaalsContact O-N 3.15Å; N199-Q201 PolarHBondContact O-N 3.09Å
200	D	53.1	Low	80.8	Confident	162 Å²	162	59.7 Å²	59.7	87%	0.866	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-12.5	-176.9	-60.4	-26.6	0	0	0	113.5	N198	N198-D200 VanDerWaalsContact C-N 3.26Å; N198-D200 PolarHBondContact O-N 2.76Å
201	Q	49.4	Very low	80.5	Confident	134 Å²	134	62 Å²	62	63%	0.626	33%	0.325	S	S	*	.			trans	-147.1	105.5	171.3	-59.9	178.8	3.7	0	0	105.2	N198 N199 G203	N198-Q201 CarbonylContact O-C 3.53Å; N198-Q201 VanDerWaalsContact O-C 3.3Å; N198-Q201 PolarHBondContact O-N 3.38Å; N199-Q201 PolarHBondContact O-N 3.09Å; Q201-G203 VanDerWaalsContact O-CA 3.23Å; Q201-G203 WeakPolarHBondContact O-CA 3.16Å; Q201-G203 PolarHBondContact O-N 2.71Å
202	I	50.4	Low	80.4	Confident	119 Å²	119	57.3 Å²	57.3	61%	0.61	31%	0.307	S	S	*	.			trans	-57.6	86.8	154.4	-54.4	176.5	0	0	0	104.4	K209	I202-K209 HydrophobicContact CG2-CG 4.35Å; I202-K209 VanDerWaalsContact O-CE 3.28Å; I202-K209 WeakPolarHBondContact O-CE 3.23Å; I202-K209 PolarHBondContact O-NZ 2.85Å
203	G	69.5	Low	80.3	Confident	12 Å²	12	57.1 Å²	57.1	12%	0.124	31%	0.31	C	S	.	.			trans	-72.4	158.3	-148.9	0	0	0	0	0	108.6	Q201 C205 D206 K209	Q201-G203 VanDerWaalsContact O-CA 3.23Å; Q201-G203 WeakPolarHBondContact O-CA 3.16Å; Q201-G203 PolarHBondContact O-N 2.71Å; G203-C205 PolarHBondContact O-N 3.21Å; G203-D206 PolarHBondContact O-N 3.13Å; G203-K209 VanDerWaalsContact O-CE 3.23Å; G203-K209 WeakPolarHBondContact O-CE 2.99Å; G203-K209 PolarHBondContact O-NZ 3.48Å
204	L	85.7	Confident	80.2	Confident	79 Å²	79	58.6 Å²	58.6	41%	0.414	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-15.6	166.1	-68.1	171.5	0	0	0	112	F121 K124 C125 K128	F121-L204 VanDerWaalsContact CE2-O 3.24Å; F121-L204 WeakPolarHBondContact CE2-O 3.29Å; K124-L204 HydrophobicContact CB-CD2 4.42Å; C125-L204 WeakPolarHBondContact CB-O 3.33Å; K128-L204 HydrophobicContact CB-CD1 3.87Å; K128-L204 HydrophobicContact CD-CD1 4.24Å; K128-L204 HydrophobicContact CG-CD1 4.05Å
205	C	91.7	Very high	80.1	Confident	4 Å²	4	63.5 Å²	63.5	3%	0.027	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	10.9	-177.9	-59.1	0	0	0	0	114.8	C125 H129 W175 A194 G203	C125-C205 VanDerWaalsContact CA-SG 3.53Å; C125-C205 HydrophobicContact CB-CB 3.98Å; C125-C205 WeakPolarHBondContact CB-SG 3.44Å; C125-C205 VanDerWaalsContact SG-CA 3.51Å; C125-C205 WeakPolarHBondContact SG-CB 3.44Å; C125-C205 CovalentContact SG-SG 2.03Å; C125-C205 PolarHBondContact SG-SG 2.97Å; H129-C205 VanDerWaalsContact CD2-SG 3.59Å; H129-C205 PolarHBondContact NE2-SG 3.45Å; H129-C205 VanDerWaalsContact NE2-SG 3.41Å; W175-C205 HydrophobicContact CH2-CB 3.84Å; W175-C205 WeakPolarHBondContact CH2-O 3.21Å; A194-C205 HydrophobicContact CB-CB 3.68Å; G203-C205 PolarHBondContact O-N 3.21Å
206	D	92.5	Very high	80.2	Confident	2 Å²	2	66 Å²	66	1%	0.011	36%	0.362	C	S	.	.			trans	-86.9	112.5	178.7	-175.8	-8.4	0	0	0	111.6	F121 G203 R208 K209	F121-D206 VanDerWaalsContact CE2-O 3.25Å; F121-D206 WeakPolarHBondContact CE2-O 3.44Å; G203-D206 PolarHBondContact O-N 3.13Å; D206-R208 PolarHBondContact O-N 2.93Å; D206-R208 VanDerWaalsContact O-N 3.16Å; D206-R208 WeakPolarHBondContact OD1-CB 3.46Å; D206-R208 WeakPolarHBondContact OD1-CG 3.36Å; D206-R208 PolarHBondContact OD1-N 3.33Å; D206-R208 IonicContact OD1-NE 3.42Å; D206-R208 PolarHBondContact OD1-NE 3.33Å; D206-R208 VanDerWaalsContact OD1-NE 3.12Å; D206-R208 IonicContact OD2-CZ 3.12Å; D206-R208 IonicContact OD2-NE 3.45Å; D206-R208 PolarHBondContact OD2-NE 3.28Å; D206-R208 IonicContact OD2-NH2 2.86Å; D206-R208 PolarHBondContact OD2-NH2 2.61Å; D206-K209 WeakPolarHBondContact O-CB 3.36Å; D206-K209 WeakPolarHBondContact O-CG 3.44Å; D206-K209 PolarHBondContact O-N 3.24Å; D206-K209 VanDerWaalsContact O-N 3.12Å
207	W	93.2	Very high	80.9	Confident	8 Å²	8	65.9 Å²	65.9	3%	0.03	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-63.6	-17.4	-177.7	-75.8	88.1	0	0	0	114.2	K54 V118 F121 V122 W175 K209 I210 L212 A217 Q220	K54-W207 HydrophobicContact CB-CE3 4.34Å; K54-W207 HydrophobicContact CB-CH2 4.04Å; K54-W207 HydrophobicContact CB-CZ3 3.85Å; K54-W207 HydrophobicContact CD-CD2 4.19Å; K54-W207 HydrophobicContact CD-CE3 4.32Å; K54-W207 HydrophobicContact CD-CH2 3.51Å; K54-W207 HydrophobicContact CD-CZ2 3.27Å; K54-W207 HydrophobicContact CD-CZ3 4Å; K54-W207 HydrophobicContact CG-CD2 4.07Å; K54-W207 HydrophobicContact CG-CE3 3.91Å; K54-W207 HydrophobicContact CG-CH2 3.85Å; K54-W207 HydrophobicContact CG-CZ2 3.96Å; K54-W207 HydrophobicContact CG-CZ3 3.79Å; V118-W207 HydrophobicContact CG1-CH2 4.4Å; V118-W207 HydrophobicContact CG1-CZ3 4.35Å; F121-W207 HydrophobicContact CD1-CE3 4.46Å; F121-W207 HydrophobicContact CD1-CH2 4.41Å; F121-W207 HydrophobicContact CD1-CZ3 4.38Å; F121-W207 AromaticContact CE1-CD2 3.61Å; F121-W207 HydrophobicContact CE1-CD2 3.61Å; F121-W207 AromaticContact CE1-CE2 3.64Å; F121-W207 AromaticContact CE1-CE3 3.85Å; F121-W207 HydrophobicContact CE1-CE3 3.85Å; F121-W207 HydrophobicContact CE1-CG 4.09Å; F121-W207 HydrophobicContact CE1-CH2 4.04Å; F121-W207 AromaticContact CE1-CZ2 3.83Å; F121-W207 HydrophobicContact CE1-CZ2 3.83Å; F121-W207 HydrophobicContact CE1-CZ3 4.07Å; F121-W207 HydrophobicContact CZ-CD2 4.13Å; F121-W207 HydrophobicContact CZ-CG 4.1Å; V122-W207 HydrophobicContact CG1-CH2 3.77Å; V122-W207 HydrophobicContact CG1-CZ2 3.93Å; W175-W207 HydrophobicContact CD2-CZ2 4.17Å; W175-W207 AromaticContact CD2-NE1 3.64Å; W175-W207 AromaticContact CE2-CZ2 3.9Å; W175-W207 AromaticContact CE2-NE1 3.76Å; W175-W207 AromaticContact CE3-NE1 3.32Å; W175-W207 VanDerWaalsContact CE3-NE1 3.32Å; W175-W207 HydrophobicContact CG-CZ2 4.42Å; W175-W207 AromaticContact CH2-CD1 3.94Å; W175-W207 AromaticContact CH2-NE1 3.31Å; W175-W207 VanDerWaalsContact CH2-NE1 3.31Å; W175-W207 HydrophobicContact CZ2-CZ2 4.22Å; W175-W207 AromaticContact CZ2-NE1 3.63Å; W175-W207 AromaticContact CZ3-CD1 3.71Å; W175-W207 AromaticContact CZ3-NE1 3.16Å; W175-W207 AromaticContact NE1-CZ2 3.97Å; W207-K209 PolarHBondContact O-N 3.23Å; W207-I210 HydrophobicContact CD2-CD1 4.39Å; W207-I210 HydrophobicContact CE3-CD1 3.23Å; W207-I210 HydrophobicContact CE3-CG1 3.87Å; W207-I210 HydrophobicContact CH2-CD1 4.41Å; W207-I210 HydrophobicContact CZ3-CD1 3.26Å; W207-I210 HydrophobicContact CZ3-CG1 4.36Å; W207-I210 VanDerWaalsContact O-CG1 3.22Å; W207-I210 WeakPolarHBondContact O-CG1 3.36Å; W207-I210 PolarHBondContact O-N 3.37Å; W207-I210 VanDerWaalsContact O-N 3.11Å; W207-L212 HydrophobicContact CB-CB 3.94Å; W207-L212 HydrophobicContact CB-CD1 4.28Å; W207-L212 HydrophobicContact CB-CD2 3.77Å; W207-L212 HydrophobicContact CB-CG 4.18Å; W207-L212 HydrophobicContact CD2-CD2 4.21Å; W207-L212 HydrophobicContact CE3-CD1 3.77Å; W207-L212 HydrophobicContact CE3-CD2 4.07Å; W207-L212 HydrophobicContact CG-CD2 4.09Å; W207-L212 PolarHBondContact O-N 3.15Å; W207-A217 HydrophobicContact CB-CB 3.98Å; W207-Q220 HydrophobicContact CG-CB 4.29Å; W207-Q220 HydrophobicContact CG-CG 4.46Å
208	R	92.7	Very high	81.8	Confident	81 Å²	81	65.2 Å²	65.2	31%	0.306	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-58.9	-27.8	172.5	-65.2	177.2	-69.6	-174.3	-0.6	112.3	G196 D206 I210 G211 L212 S214 A217	G196-R208 PolarHBondContact O-NH2 3.39Å; D206-R208 PolarHBondContact O-N 2.93Å; D206-R208 VanDerWaalsContact O-N 3.16Å; D206-R208 WeakPolarHBondContact OD1-CB 3.46Å; D206-R208 WeakPolarHBondContact OD1-CG 3.36Å; D206-R208 PolarHBondContact OD1-N 3.33Å; D206-R208 IonicContact OD1-NE 3.42Å; D206-R208 PolarHBondContact OD1-NE 3.33Å; D206-R208 VanDerWaalsContact OD1-NE 3.12Å; D206-R208 IonicContact OD2-CZ 3.12Å; D206-R208 IonicContact OD2-NE 3.45Å; D206-R208 PolarHBondContact OD2-NE 3.28Å; D206-R208 IonicContact OD2-NH2 2.86Å; D206-R208 PolarHBondContact OD2-NH2 2.61Å; R208-I210 PolarHBondContact O-N 3.39Å; R208-G211 PolarHBondContact O-N 2.75Å; R208-L212 WeakPolarHBondContact CA-O 3.03Å; R208-S214 WeakPolarHBondContact CD-OG 3.06Å; R208-A217 HydrophobicContact CG-CB 3.52Å
209	K	91.3	Very high	83.1	Confident	103 Å²	103	62.8 Å²	62.8	45%	0.448	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-62.8	-21.5	177.8	-69.5	-175.3	175.8	177.1	0	114.2	I202 G203 D206 W207	I202-K209 HydrophobicContact CG2-CG 4.35Å; I202-K209 VanDerWaalsContact O-CE 3.28Å; I202-K209 WeakPolarHBondContact O-CE 3.23Å; I202-K209 PolarHBondContact O-NZ 2.85Å; G203-K209 VanDerWaalsContact O-CE 3.23Å; G203-K209 WeakPolarHBondContact O-CE 2.99Å; G203-K209 PolarHBondContact O-NZ 3.48Å; D206-K209 WeakPolarHBondContact O-CB 3.36Å; D206-K209 WeakPolarHBondContact O-CG 3.44Å; D206-K209 PolarHBondContact O-N 3.24Å; D206-K209 VanDerWaalsContact O-N 3.12Å; W207-K209 PolarHBondContact O-N 3.23Å
210	I	92.5	Very high	85	Confident	17 Å²	17	56.5 Å²	56.5	9%	0.087	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-112.3	14.4	176.6	65	158.7	0	0	0	112.3	L58 F114 V118 F121 W207 R208 L212	L58-I210 HydrophobicContact CD1-CD1 3.7Å; L58-I210 HydrophobicContact CD2-CD1 4.21Å; L58-I210 HydrophobicContact CD2-CG1 4.36Å; L58-I210 WeakPolarHBondContact CD2-O 3.28Å; F114-I210 WeakPolarHBondContact CZ-O 3.4Å; V118-I210 HydrophobicContact CG1-CD1 4.46Å; V118-I210 HydrophobicContact CG2-CD1 4.16Å; F121-I210 HydrophobicContact CB-CG2 3.57Å; F121-I210 HydrophobicContact CD1-CD1 4.02Å; F121-I210 HydrophobicContact CD1-CG1 4.38Å; F121-I210 HydrophobicContact CD1-CG2 4.08Å; F121-I210 HydrophobicContact CD2-CG2 4.13Å; F121-I210 HydrophobicContact CE1-CD1 4.37Å; F121-I210 HydrophobicContact CG-CG2 3.65Å; W207-I210 HydrophobicContact CD2-CD1 4.39Å; W207-I210 HydrophobicContact CE3-CD1 3.23Å; W207-I210 HydrophobicContact CE3-CG1 3.87Å; W207-I210 HydrophobicContact CH2-CD1 4.41Å; W207-I210 HydrophobicContact CZ3-CD1 3.26Å; W207-I210 HydrophobicContact CZ3-CG1 4.36Å; W207-I210 VanDerWaalsContact O-CG1 3.22Å; W207-I210 WeakPolarHBondContact O-CG1 3.36Å; W207-I210 PolarHBondContact O-N 3.37Å; W207-I210 VanDerWaalsContact O-N 3.11Å; R208-I210 PolarHBondContact O-N 3.39Å; I210-L212 HydrophobicContact CD1-CD1 4.21Å; I210-L212 HydrophobicContact CG1-CD1 4.11Å
211	G	92.5	Very high	87	Confident	55 Å²	55	48.8 Å²	48.8	57%	0.567	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.2	9	171.7	0	0	0	0	0	116.1	R208	R208-G211 PolarHBondContact O-N 2.75Å
212	L	93.2	Very high	89.2	Confident	5 Å²	5	42.4 Å²	42.4	3%	0.026	24%	0.24	C	C	.	.			trans	-67.3	137.6	169.5	-89.1	69.1	0	0	0	109.7	V53 K54 L58 W207 R208 I210 A217 Q220	V53-L212 HydrophobicContact CG2-CD2 4.36Å; K54-L212 HydrophobicContact CG-CD2 4.23Å; L58-L212 HydrophobicContact CD1-CD1 4.27Å; L58-L212 HydrophobicContact CD2-CD1 3.45Å; L58-L212 VanDerWaalsContact CD2-CD1 3.45Å; L58-L212 HydrophobicContact CG-CD1 3.9Å; W207-L212 HydrophobicContact CB-CB 3.94Å; W207-L212 HydrophobicContact CB-CD1 4.28Å; W207-L212 HydrophobicContact CB-CD2 3.77Å; W207-L212 HydrophobicContact CB-CG 4.18Å; W207-L212 HydrophobicContact CD2-CD2 4.21Å; W207-L212 HydrophobicContact CE3-CD1 3.77Å; W207-L212 HydrophobicContact CE3-CD2 4.07Å; W207-L212 HydrophobicContact CG-CD2 4.09Å; W207-L212 PolarHBondContact O-N 3.15Å; R208-L212 WeakPolarHBondContact CA-O 3.03Å; I210-L212 HydrophobicContact CD1-CD1 4.21Å; I210-L212 HydrophobicContact CG1-CD1 4.11Å; L212-A217 HydrophobicContact CB-CB 4.03Å; L212-Q220 HydrophobicContact CD2-CG 4.37Å
213	P	92.9	Very high	91.5	Very high	62 Å²	62	36.7 Å²	36.7	40%	0.403	21%	0.211	S	C	.	.			trans	-64.9	152.5	173.9	-4.8	17.5	0	0	0	110.7	L57 T215 E216 A217	L57-P213 HydrophobicContact CD1-CG 4.21Å; P213-T215 VanDerWaalsContact C-N 3.25Å; P213-T215 PolarHBondContact O-N 2.8Å; P213-E216 WeakPolarHBondContact CB-OE2 3.18Å; P213-E216 WeakPolarHBondContact CG-OE2 3.34Å; P213-E216 PolarHBondContact O-N 3.13Å; P213-A217 WeakPolarHBondContact O-CB 3.2Å; P213-A217 PolarHBondContact O-N 2.71Å
214	S	91.4	Very high	92.8	Very high	63 Å²	63	36.1 Å²	36.1	44%	0.441	21%	0.205	S	C	.	.	H	α-helix	trans	-57.8	-36.6	-171.6	-64	0	0	0	0	113.4	R208 N218	R208-S214 WeakPolarHBondContact CD-OG 3.06Å; S214-N218 WeakPolarHBondContact O-CB 3.49Å; S214-N218 PolarHBondContact O-N 3.16Å; S214-N218 PolarHBondContact O-ND2 3.35Å; S214-N218 VanDerWaalsContact O-ND2 3.13Å; S214-N218 PolarHBondContact O-OD1 2.99Å
215	T	91.6	Very high	93.4	Very high	117 Å²	117	32.5 Å²	32.5	72%	0.718	19%	0.186	S	C	*	.	H	α-helix	trans	-59.9	-49.3	-179.7	-55.9	0	0	0	0	111.1	P213	P213-T215 VanDerWaalsContact C-N 3.25Å; P213-T215 PolarHBondContact O-N 2.8Å
216	E	91.8	Very high	93.7	Very high	62 Å²	62	34.2 Å²	34.2	29%	0.29	20%	0.195	S	C	.	.	H	α-helix	trans	-73.3	-44.1	-179.3	-64.8	76	-171.9	0	0	110.9	V53 L57 P213 N218 D219 Q220	V53-E216 HydrophobicContact CG1-CG 4.26Å; L57-E216 HydrophobicContact CD1-CB 4.46Å; L57-E216 HydrophobicContact CD1-CG 3.84Å; P213-E216 WeakPolarHBondContact CB-OE2 3.18Å; P213-E216 WeakPolarHBondContact CG-OE2 3.34Å; P213-E216 PolarHBondContact O-N 3.13Å; E216-N218 VanDerWaalsContact C-N 3.32Å; E216-N218 PolarHBondContact O-N 2.76Å; E216-D219 PolarHBondContact O-N 2.66Å; E216-Q220 WeakPolarHBondContact O-CG 3.45Å; E216-Q220 PolarHBondContact O-N 3.46Å
217	A	92.6	Very high	93.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-37.3	-178.7	0	0	0	0	0	112.8	G196 W207 R208 L212 P213 D219 Q220	G196-A217 WeakPolarHBondContact CA-O 3.26Å; W207-A217 HydrophobicContact CB-CB 3.98Å; R208-A217 HydrophobicContact CG-CB 3.52Å; L212-A217 HydrophobicContact CB-CB 4.03Å; P213-A217 WeakPolarHBondContact O-CB 3.2Å; P213-A217 PolarHBondContact O-N 2.71Å; A217-D219 PolarHBondContact O-N 2.78Å; A217-Q220 PolarHBondContact O-N 2.69Å
218	N	91.6	Very high	93.8	Very high	56 Å²	56	42.3 Å²	42.3	30%	0.299	23%	0.23	S	C	.	.	H	α-helix	trans	-63.4	-30.4	-179.8	-77.4	-15.6	0	0	0	113.2	G196 N197 S214 E216	G196-N218 PolarHBondContact O-OD1 2.98Å; N197-N218 WeakPolarHBondContact CA-OD1 3.23Å; N197-N218 HydrophobicContact CB-CB 4Å; N197-N218 WeakPolarHBondContact CB-OD1 3.44Å; S214-N218 WeakPolarHBondContact O-CB 3.49Å; S214-N218 PolarHBondContact O-N 3.16Å; S214-N218 PolarHBondContact O-ND2 3.35Å; S214-N218 VanDerWaalsContact O-ND2 3.13Å; S214-N218 PolarHBondContact O-OD1 2.99Å; E216-N218 VanDerWaalsContact C-N 3.32Å; E216-N218 PolarHBondContact O-N 2.76Å
219	D	92.6	Very high	93.1	Very high	41 Å²	41	46.5 Å²	46.5	22%	0.219	25%	0.251	C	S	.	.	H	α-helix	trans	-89.4	-14.4	179.3	-159.6	35.2	0	0	0	112.6	M177 K178 S179 E216 A217 C221	M177-D219 CarbonylContact C-O 3.52Å; M177-D219 VanDerWaalsContact CA-O 3.32Å; M177-D219 WeakPolarHBondContact CA-O 3.44Å; M177-D219 WeakPolarHBondContact CB-OD2 3.39Å; K178-D219 WeakPolarHBondContact CB-OD1 3.28Å; K178-D219 PolarHBondContact N-O 3.18Å; K178-D219 PolarHBondContact N-OD1 2.95Å; S179-D219 WeakPolarHBondContact CB-OD1 3.25Å; S179-D219 WeakPolarHBondContact CB-OD2 3.41Å; S179-D219 PolarHBondContact N-OD1 3.18Å; S179-D219 PolarHBondContact OG-OD1 3.46Å; S179-D219 PolarHBondContact OG-OD2 3.09Å; E216-D219 PolarHBondContact O-N 2.66Å; A217-D219 PolarHBondContact O-N 2.78Å; D219-C221 PolarHBondContact O-N 3.46Å
220	Q	93.7	Very high	93.1	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.019	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	113.2	173.1	-63.8	-51.8	-63.3	0	0	110.5	V53 W175 G196 W207 L212 E216 A217	V53-Q220 HydrophobicContact CG2-CG 4.44Å; W175-Q220 HydrophobicContact CE3-CB 4.45Å; G196-Q220 PolarHBondContact N-O 3.11Å; W207-Q220 HydrophobicContact CG-CB 4.29Å; W207-Q220 HydrophobicContact CG-CG 4.46Å; L212-Q220 HydrophobicContact CD2-CG 4.37Å; E216-Q220 WeakPolarHBondContact O-CG 3.45Å; E216-Q220 PolarHBondContact O-N 3.46Å; A217-Q220 PolarHBondContact O-N 2.69Å
221	C	94.4	Very high	93.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.6	-179.8	-62.6	0	0	0	0	112	W175 E176 K178 L192 A194 C195 D219 Y223	W175-C221 WeakPolarHBondContact CA-O 3.09Å; E176-C221 PolarHBondContact N-O 3.23Å; E176-C221 PolarHBondContact O-N 3.48Å; K178-C221 HydrophobicContact CB-CB 4.36Å; K178-C221 VanDerWaalsContact CB-SG 3.58Å; L192-C221 HydrophobicContact CD1-CB 3.62Å; A194-C221 CarbonylContact O-C 3.52Å; A194-C221 WeakPolarHBondContact O-CA 3.35Å; A194-C221 WeakPolarHBondContact O-CB 3.27Å; C195-C221 HydrophobicContact CB-CB 4.19Å; C195-C221 WeakPolarHBondContact CB-SG 3.41Å; C195-C221 WeakPolarHBondContact SG-CB 3.3Å; C195-C221 CovalentContact SG-SG 2.04Å; C195-C221 PolarHBondContact SG-SG 3.28Å; D219-C221 PolarHBondContact O-N 3.46Å; C221-Y223 HydrophobicContact CB-CD2 4.36Å; C221-Y223 HydrophobicContact CB-CE2 3.66Å
222	L	95.9	Very high	93.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	130	175.1	-178.6	64.2	0	0	0	109.6	C125 Y126 L173 W175 L193 A194	C125-L222 VanDerWaalsContact SG-CD2 3.57Å; Y126-L222 HydrophobicContact CD1-CD1 4.21Å; Y126-L222 HydrophobicContact CD1-CD2 4.1Å; Y126-L222 HydrophobicContact CE1-CD1 3.72Å; Y126-L222 HydrophobicContact CE1-CD2 4.35Å; L173-L222 HydrophobicContact CB-CD1 4.23Å; W175-L222 HydrophobicContact CD2-CB 4.28Å; W175-L222 HydrophobicContact CD2-CD1 4.18Å; W175-L222 HydrophobicContact CE3-CB 4.01Å; W175-L222 HydrophobicContact CG-CD1 4.45Å; W175-L222 HydrophobicContact CH2-CB 3.97Å; W175-L222 HydrophobicContact CZ2-CB 4.22Å; W175-L222 HydrophobicContact CZ2-CD1 4.42Å; W175-L222 HydrophobicContact CZ3-CB 3.85Å; L193-L222 HydrophobicContact CB-CB 4.38Å; L193-L222 HydrophobicContact CB-CD2 4.34Å; L193-L222 HydrophobicContact CB-CG 4.26Å; L193-L222 WeakPolarHBondContact CB-O 3.31Å; L193-L222 HydrophobicContact CD1-CD2 3.81Å; L193-L222 HydrophobicContact CD1-CG 3.89Å; L193-L222 PolarHBondContact N-O 3.22Å; A194-L222 PolarHBondContact N-O 3.25Å; A194-L222 PolarHBondContact O-N 3.04Å
223	Y	97.4	Very high	93.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	152.6	176.8	-67.7	-94.6	0	0	0	111.1	L173 L174 E176 D182 L185 R191 L192 C221	L173-Y223 WeakPolarHBondContact CA-O 3.43Å; L174-Y223 HydrophobicContact CD1-CD2 4.44Å; L174-Y223 PolarHBondContact N-O 3.23Å; L174-Y223 VanDerWaalsContact N-O 3.08Å; L174-Y223 PolarHBondContact O-N 3.46Å; E176-Y223 HydrophobicContact CB-CD2 4.11Å; E176-Y223 HydrophobicContact CB-CE2 4.04Å; D182-Y223 WeakPolarHBondContact CB-OH 3.35Å; D182-Y223 WeakPolarHBondContact OD1-CE1 3.46Å; D182-Y223 PolarHBondContact OD1-OH 3.38Å; L185-Y223 HydrophobicContact CB-CD1 4.26Å; L185-Y223 HydrophobicContact CB-CE1 4.4Å; L185-Y223 HydrophobicContact CD1-CD1 3.76Å; L185-Y223 HydrophobicContact CD1-CD2 3.44Å; L185-Y223 VanDerWaalsContact CD1-CD2 3.44Å; L185-Y223 HydrophobicContact CD1-CE1 3.92Å; L185-Y223 HydrophobicContact CD1-CE2 3.61Å; L185-Y223 HydrophobicContact CD1-CG 3.51Å; R191-Y223 CarbonylContact O-C 3.55Å; R191-Y223 WeakPolarHBondContact O-CA 3.34Å; L192-Y223 HydrophobicContact CB-CD1 4.19Å; L192-Y223 HydrophobicContact CB-CE1 3.9Å; L192-Y223 HydrophobicContact CD1-CD1 4.24Å; L192-Y223 HydrophobicContact CD1-CE1 3.79Å; L192-Y223 HydrophobicContact CD1-CE2 4.14Å; L192-Y223 HydrophobicContact CG-CE1 4.41Å; C221-Y223 HydrophobicContact CB-CD2 4.36Å; C221-Y223 HydrophobicContact CB-CE2 3.66Å
224	A	97.7	Very high	93.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140.7	178	0	0	0	0	0	112.1	L171 Y172 L173 Y190 R191 L193	L171-A224 HydrophobicContact CD1-CB 3.83Å; Y172-A224 CarbonylContact O-C 3.59Å; Y172-A224 VanDerWaalsContact O-CA 3.31Å; Y172-A224 WeakPolarHBondContact O-CA 3.28Å; L173-A224 HydrophobicContact CD2-CB 3.79Å; Y190-A224 CarbonylContact C-O 3.57Å; Y190-A224 WeakPolarHBondContact CA-O 3.43Å; Y190-A224 VanDerWaalsContact CD1-C 3.45Å; R191-A224 HydrophobicContact CG-CB 3.83Å; R191-A224 PolarHBondContact N-O 3.34Å; R191-A224 PolarHBondContact O-N 3.26Å; L193-A224 HydrophobicContact CD1-CB 3.51Å; L193-A224 HydrophobicContact CD2-CB 3.88Å; L193-A224 HydrophobicContact CG-CB 3.75Å
225	L	98.3	Very high	93.4	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.4	168.3	175.8	68.4	0	0	0	109.3	F162 Y172 L188 N189 Y190	F162-L225 HydrophobicContact CD1-CD2 4.11Å; F162-L225 HydrophobicContact CE1-CD2 4.45Å; F162-L225 HydrophobicContact CE1-CG 4.39Å; Y172-L225 HydrophobicContact CD1-CD2 4.47Å; Y172-L225 PolarHBondContact N-O 2.94Å; Y172-L225 PolarHBondContact O-N 2.92Å; L188-L225 WeakPolarHBondContact O-CD1 3.45Å; N189-L225 HydrophobicContact CB-CD1 4.37Å; Y190-L225 HydrophobicContact CD1-CB 3.66Å; Y190-L225 HydrophobicContact CD2-CB 4.11Å; Y190-L225 HydrophobicContact CD2-CD1 4.35Å; Y190-L225 HydrophobicContact CD2-CD2 4.47Å; Y190-L225 HydrophobicContact CE1-CB 3.38Å; Y190-L225 HydrophobicContact CE1-CD2 4.44Å; Y190-L225 HydrophobicContact CE2-CB 3.89Å; Y190-L225 HydrophobicContact CE2-CD1 4.39Å; Y190-L225 HydrophobicContact CE2-CD2 3.72Å; Y190-L225 HydrophobicContact CE2-CG 4.23Å; Y190-L225 HydrophobicContact CG-CB 4Å
226	D	97	Very high	93.5	Very high	39 Å²	39	39.6 Å²	39.6	21%	0.209	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	136.6	177.3	-50.5	-77.2	0	0	0	110	L171 R191 K228	L171-D226 VanDerWaalsContact CD1-OD1 3.24Å; L171-D226 WeakPolarHBondContact CD1-OD1 3.26Å; R191-D226 IonicContact CZ-OD1 3.06Å; R191-D226 IonicContact CZ-OD2 3.91Å; R191-D226 IonicContact NE-OD1 3.77Å; R191-D226 IonicContact NE-OD2 3.91Å; R191-D226 PolarHBondContact NE-OD2 3.38Å; R191-D226 IonicContact NH2-OD1 3.59Å; R191-D226 PolarHBondContact NH2-OD1 3.07Å; R191-D226 IonicContact NH2-OD2 3.09Å; D226-K228 HydrophobicContact CB-CG 4.14Å; D226-K228 PolarHBondContact O-N 3.25Å
227	N	96.7	Very high	93.6	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	18%	0.176	C	C	.	.			trans	-87.2	99	169.6	-170.2	2.2	0	0	0	109.7	F162 K163 T166 P167 G169 S170 K229	F162-N227 HydrophobicContact CE1-CB 3.8Å; F162-N227 HydrophobicContact CZ-CB 3.84Å; K163-N227 PolarHBondContact O-ND2 3.45Å; T166-N227 PolarHBondContact O-ND2 3.48Å; T166-N227 PolarHBondContact OG1-ND2 3.16Å; P167-N227 PolarHBondContact O-ND2 2.75Å; G169-N227 PolarHBondContact N-O 3.18Å; S170-N227 PolarHBondContact O-N 2.69Å; N227-K229 WeakPolarHBondContact OD1-CG 3.24Å
228	K	91.1	Very high	93.7	Very high	178 Å²	178	41 Å²	41	77%	0.774	19%	0.19	S	C	*	.			trans	-99.6	29.7	-175.6	-58.2	-175.8	-179.9	-179.3	0	113.8	D226	D226-K228 HydrophobicContact CB-CG 4.14Å; D226-K228 PolarHBondContact O-N 3.25Å
229	K	78.1	Confident	93.9	Very high	168 Å²	168	39.6 Å²	39.6	73%	0.73	18%	0.18	S	C	*	.			trans	-56.1	0	177.9	-86.4	176.2	164.3	-176.6	0	112.9	K163 R164 S168 N227	K163-K229 WeakPolarHBondContact O-CD 3.42Å; K163-K229 WeakPolarHBondContact O-CE 3.46Å; K163-K229 PolarHBondContact O-NZ 3.47Å; R164-K229 PolarHBondContact O-NZ 2.81Å; S168-K229 WeakPolarHBondContact CB-O 3.27Å; S168-K229 PolarHBondContact OG-O 3.22Å; N227-K229 WeakPolarHBondContact OD1-CG 3.24Å

Retrieved 229 of 229 residues in 92.1 ms (Link to these results)

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