A0A3Q0KT56_SCHMA Loading...

Putative r-specific enoyl-CoA hydratase

AlphaFold DB , UniProt , Accession A0A3Q0KT56, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 170 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.9	Very low	42.4	Very low	237 Å²	237	147.7 Å²	147.7	100%	1.167	81%	0.812	S	S	*	*				0	98.8	0	-81.2	170.1	170	0	0	106.5
2	I	40.2	Very low	42.8	Very low	145 Å²	145	148.2 Å²	148.2	74%	0.744	81%	0.809	S	S	*	*				51.4	119.2	70.6	-71.5	171.8	0	0	0	109
3	F	38.7	Very low	42.7	Very low	165 Å²	165	149 Å²	149	72%	0.724	81%	0.812	S	S	*	*			cis	-168.5	157.6	6.1	-107.9	-55.1	0	0	0	108.8
4	L	39.7	Very low	43.1	Very low	146 Å²	146	150.5 Å²	150.5	76%	0.764	81%	0.811	S	S	*	*			trans	72.1	124	136.5	-65	160.7	0	0	0	123.1
5	S	38.7	Very low	42.5	Very low	106 Å²	106	151.6 Å²	151.6	74%	0.741	81%	0.811	S	S	*	*			trans	-57	156.8	158.8	57.1	0	0	0	0	115.4
6	S	44	Very low	42.6	Very low	107 Å²	107	150.8 Å²	150.8	75%	0.748	81%	0.805	S	S	*	*			trans	-156.1	118.4	134.4	59.3	0	0	0	0	111.1
7	S	41.5	Very low	42.3	Very low	116 Å²	116	151.4 Å²	151.4	81%	0.811	80%	0.804	S	S	*	*			trans	-73	124	167.7	40.8	0	0	0	0	110.8
8	I	48.1	Very low	42.5	Very low	161 Å²	161	151.7 Å²	151.7	83%	0.826	81%	0.806	S	S	*	*			trans	-92.8	111.9	174.5	-62.7	170.3	0	0	0	108.5
9	T	45.4	Very low	42.7	Very low	129 Å²	129	152.7 Å²	152.7	79%	0.791	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-73	137.1	168.7	36.9	0	0	0	0	110.5
10	K	42.9	Very low	43.4	Very low	197 Å²	197	149.1 Å²	149.1	86%	0.857	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-69.9	142.8	177.6	-69.3	178.1	176.8	177.3	0	111.3
11	P	46	Very low	44.3	Very low	116 Å²	116	146.5 Å²	146.5	75%	0.753	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-78.5	135.4	166.6	30.4	-28.6	0	0	0	110.9	N13	P11-N13 PolarHBondContact O-N 3.17Å
12	I	46.9	Very low	46	Very low	153 Å²	153	141.4 Å²	141.4	79%	0.785	75%	0.747	S	S	*	*			trans	-74.9	112.3	169.7	-68.1	162.8	0	0	0	107.4	H14	I12-H14 PolarHBondContact O-N 3.47Å
13	N	42.4	Very low	48.2	Very low	159 Å²	159	138.8 Å²	138.8	85%	0.85	73%	0.73	S	S	*	*			trans	-74.5	102.6	168.5	-96	-8.1	0	0	0	109.1	P11 M15	P11-N13 PolarHBondContact O-N 3.17Å; N13-M15 PolarHBondContact O-N 3.05Å; N13-M15 VanDerWaalsContact O-N 3.12Å
14	H	47.4	Very low	50.8	Low	170 Å²	170	131.1 Å²	131.1	79%	0.787	70%	0.697	S	S	*	*			trans	-66.3	101.2	163.5	-106.9	5.8	0	0	0	109.3	I12 I16	I12-H14 PolarHBondContact O-N 3.47Å; H14-I16 PolarHBondContact O-N 3.12Å
15	M	34.4	Very low	53.3	Low	167 Å²	167	126.8 Å²	126.8	82%	0.823	68%	0.679	S	S	*	*			trans	-70.6	92.9	165.2	-171.9	114.2	65.2	0	0	108.1	N13 M17	N13-M15 PolarHBondContact O-N 3.05Å; N13-M15 VanDerWaalsContact O-N 3.12Å; M15-M17 PolarHBondContact O-N 2.94Å
16	I	44	Very low	56.1	Low	139 Å²	139	127.4 Å²	127.4	71%	0.713	67%	0.672	S	S	*	*			trans	-65.4	101.8	165.5	-63.7	172	0	0	0	106.3	H14 L18	H14-I16 PolarHBondContact O-N 3.12Å; I16-L18 VanDerWaalsContact C-N 3.29Å; I16-L18 PolarHBondContact O-N 2.99Å
17	M	37.5	Very low	58.6	Low	160 Å²	160	124 Å²	124	79%	0.788	65%	0.654	S	S	*	*			trans	-62.3	96.9	161.4	-72.5	-76.4	-79.2	0	0	106.4	M15 Q19	M15-M17 PolarHBondContact O-N 2.94Å; M17-Q19 VanDerWaalsContact C-N 3.29Å; M17-Q19 PolarHBondContact O-N 2.85Å
18	L	45.5	Very low	61.2	Low	158 Å²	158	120 Å²	120	83%	0.827	62%	0.624	S	S	*	*			trans	-55.6	101.7	162.2	-80.2	160.5	0	0	0	106	I16 S20	I16-L18 VanDerWaalsContact C-N 3.29Å; I16-L18 PolarHBondContact O-N 2.99Å; L18-S20 VanDerWaalsContact C-N 3.34Å; L18-S20 PolarHBondContact O-N 2.87Å
19	Q	47.2	Very low	63.5	Low	171 Å²	171	119.3 Å²	119.3	80%	0.799	61%	0.611	S	S	*	*			trans	-55.8	105.9	166	-74.2	-177.8	-23.9	0	0	105.6	M17 N21	M17-Q19 VanDerWaalsContact C-N 3.29Å; M17-Q19 PolarHBondContact O-N 2.85Å; Q19-N21 PolarHBondContact O-N 3.42Å
20	S	57.3	Low	66	Low	80 Å²	80	113.2 Å²	113.2	56%	0.559	57%	0.574	S	S	*	*			trans	-64.2	104.1	173.8	72.3	0	0	0	0	105.7	L18 R22	L18-S20 VanDerWaalsContact C-N 3.34Å; L18-S20 PolarHBondContact O-N 2.87Å; S20-R22 VanDerWaalsContact C-N 3.28Å; S20-R22 PolarHBondContact O-N 2.99Å
21	N	61.5	Low	68.6	Low	94 Å²	94	104.1 Å²	104.1	50%	0.503	54%	0.535	S	S	.	.			trans	-63.4	96.6	172.7	-80.1	-14	0	0	0	107.4	Q19 F23 S156	Q19-N21 PolarHBondContact O-N 3.42Å; N21-F23 HydrophobicContact CB-CD2 4.45Å; N21-F23 HydrophobicContact CB-CE1 4.21Å; N21-F23 HydrophobicContact CB-CE2 3.9Å; N21-F23 HydrophobicContact CB-CZ 3.77Å; N21-F23 PolarHBondContact O-N 2.9Å; N21-S156 PolarHBondContact O-OG 3.08Å
22	R	76.3	Confident	71	Confident	131 Å²	131	98.6 Å²	98.6	49%	0.494	50%	0.499	S	S	.	.			trans	-79	110.8	168	-63.2	-170.3	-152.6	160	9.8	106.6	S20 L155	S20-R22 VanDerWaalsContact C-N 3.28Å; S20-R22 PolarHBondContact O-N 2.99Å; R22-L155 CarbonylContact C-O 3.46Å; R22-L155 VanDerWaalsContact CA-O 3.23Å; R22-L155 WeakPolarHBondContact CA-O 3.14Å; R22-L155 HydrophobicContact CG-CB 4.47Å
23	F	86.9	Confident	73.4	Confident	90 Å²	90	92.8 Å²	92.8	40%	0.395	47%	0.469	S	S	.	.			trans	-93.9	-26.3	176.2	-68	-56.1	0	0	0	111.9	N21 S25 L155 S156 L157 K158	N21-F23 HydrophobicContact CB-CD2 4.45Å; N21-F23 HydrophobicContact CB-CE1 4.21Å; N21-F23 HydrophobicContact CB-CE2 3.9Å; N21-F23 HydrophobicContact CB-CZ 3.77Å; N21-F23 PolarHBondContact O-N 2.9Å; F23-S25 PolarHBondContact O-N 2.82Å; F23-S25 PolarHBondContact O-OG 2.97Å; F23-S25 VanDerWaalsContact O-OG 3.12Å; F23-L155 PolarHBondContact N-O 3.46Å; F23-S156 VanDerWaalsContact CD2-O 3.27Å; F23-S156 WeakPolarHBondContact CD2-O 3.37Å; F23-L157 CarbonylContact C-O 3.38Å; F23-K158 HydrophobicContact CB-CG 3.95Å
24	I	92.6	Very high	76	Confident	3 Å²	3	87.9 Å²	87.9	2%	0.015	44%	0.439	C	S	.	.			trans	-63.2	130.5	168.5	-172.1	163.4	0	0	0	109.4	D28 F88 V118 L121 F128 L150 L155 L157	I24-D28 WeakPolarHBondContact CA-OD2 3.21Å; I24-F88 HydrophobicContact CB-CZ 4.47Å; I24-F88 HydrophobicContact CD1-CE1 4.04Å; I24-F88 HydrophobicContact CD1-CE2 4.48Å; I24-F88 HydrophobicContact CD1-CZ 3.63Å; I24-F88 HydrophobicContact CG1-CE1 4.44Å; I24-F88 HydrophobicContact CG1-CZ 3.8Å; I24-V118 HydrophobicContact CD1-CG2 4.02Å; I24-V118 HydrophobicContact CG1-CG2 4.13Å; I24-L121 HydrophobicContact CD1-CD2 4.4Å; I24-L121 HydrophobicContact CG1-CD2 4.36Å; I24-L121 HydrophobicContact CG2-CD1 4.22Å; I24-L121 HydrophobicContact CG2-CD2 4.19Å; I24-L121 WeakPolarHBondContact O-CD1 3.44Å; I24-F128 HydrophobicContact CD1-CZ 4.36Å; I24-L150 HydrophobicContact CD1-CD1 3.94Å; I24-L150 HydrophobicContact CG2-CD1 4.44Å; I24-L155 HydrophobicContact CG2-CD2 4.01Å; I24-L155 PolarHBondContact N-O 3.27Å; I24-L157 WeakPolarHBondContact CA-O 3.46Å; I24-L157 PolarHBondContact N-O 2.72Å
25	S	93.8	Very high	78.3	Confident	56 Å²	56	84.4 Å²	84.4	39%	0.392	42%	0.421	S	S	.	.			trans	-131	150.6	-171.4	-61.9	0	0	0	0	110.8	F23 G27 D28 V118	F23-S25 PolarHBondContact O-N 2.82Å; F23-S25 PolarHBondContact O-OG 2.97Å; F23-S25 VanDerWaalsContact O-OG 3.12Å; S25-G27 PolarHBondContact O-N 3Å; S25-D28 PolarHBondContact N-OD2 3.15Å; S25-D28 VanDerWaalsContact O-CB 3.25Å; S25-D28 WeakPolarHBondContact O-CB 3.39Å; S25-D28 VanDerWaalsContact O-CG 3.28Å; S25-D28 PolarHBondContact O-N 3.08Å; S25-D28 VanDerWaalsContact O-N 3.15Å; S25-V118 WeakPolarHBondContact O-CB 3.33Å
26	I	96.4	Very high	81.3	Confident	118 Å²	118	76.5 Å²	76.5	61%	0.605	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	133.1	168.5	-65.8	173.5	0	0	0	108.1	V118 L121	I26-V118 WeakPolarHBondContact CA-O 3.49Å; I26-L121 HydrophobicContact CG1-CD1 4.38Å; I26-L121 HydrophobicContact CG1-CG 4.43Å
27	G	96.2	Very high	83.9	Confident	36 Å²	36	71.2 Å²	71.2	37%	0.371	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.3	-9.8	-175.5	0	0	0	0	0	114.9	S25 R29 V118	S25-G27 PolarHBondContact O-N 3Å; G27-R29 PolarHBondContact O-N 3.35Å; G27-V118 PolarHBondContact N-O 2.78Å
28	D	96.1	Very high	86.7	Confident	32 Å²	32	66.5 Å²	66.5	17%	0.171	34%	0.337	C	S	.	.			trans	-57.4	136.6	168.7	-79.3	-11.6	0	0	0	109.8	I24 S25 F88 V117 V118 P159	I24-D28 WeakPolarHBondContact CA-OD2 3.21Å; S25-D28 PolarHBondContact N-OD2 3.15Å; S25-D28 VanDerWaalsContact O-CB 3.25Å; S25-D28 WeakPolarHBondContact O-CB 3.39Å; S25-D28 VanDerWaalsContact O-CG 3.28Å; S25-D28 PolarHBondContact O-N 3.08Å; S25-D28 VanDerWaalsContact O-N 3.15Å; D28-F88 HydrophobicContact CB-CE1 4.11Å; D28-F88 HydrophobicContact CB-CZ 4.28Å; D28-V117 CarbonylContact O-C 3.46Å; D28-V117 WeakPolarHBondContact O-CA 3.45Å; D28-V118 HydrophobicContact CB-CB 4.33Å; D28-V118 HydrophobicContact CB-CG2 3.84Å; D28-V118 PolarHBondContact O-N 3.01Å; D28-P159 HydrophobicContact CB-CG 3.58Å; D28-P159 WeakPolarHBondContact OD2-CD 3.22Å
29	R	96.7	Very high	89.2	Confident	146 Å²	146	65.4 Å²	65.4	55%	0.551	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.6	149.5	-171.2	69.7	-176.3	60.3	-150.4	-4.9	112.4	G27 A116 V117 N163	G27-R29 PolarHBondContact O-N 3.35Å; R29-A116 CarbonylContact C-O 3.44Å; R29-A116 VanDerWaalsContact CA-O 3.28Å; R29-A116 WeakPolarHBondContact CA-O 3.29Å; R29-V117 HydrophobicContact CB-CG2 4.07Å; R29-N163 VanDerWaalsContact CG-ND2 3.34Å; R29-N163 WeakPolarHBondContact CG-ND2 3.36Å
30	I	97.4	Very high	91.6	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	151.2	169.1	-162.5	163.5	0	0	0	110.3	L83 H87 F88 A116 P160 N163 I165	I30-L83 HydrophobicContact CB-CD1 4.29Å; I30-L83 HydrophobicContact CD1-CD1 4.02Å; I30-L83 HydrophobicContact CG1-CD1 3.7Å; I30-L83 HydrophobicContact CG2-CD1 3.81Å; I30-L83 HydrophobicContact CG2-CD2 4.1Å; I30-L83 HydrophobicContact CG2-CG 3.78Å; I30-H87 HydrophobicContact CD1-CB 3.55Å; I30-F88 HydrophobicContact CB-CB 4.33Å; I30-F88 HydrophobicContact CD1-CB 3.33Å; I30-F88 HydrophobicContact CG1-CB 4.43Å; I30-F88 HydrophobicContact CG2-CB 4.32Å; I30-F88 HydrophobicContact CG2-CD1 4.44Å; I30-A116 HydrophobicContact CG2-CB 4.11Å; I30-A116 PolarHBondContact N-O 2.85Å; I30-A116 PolarHBondContact O-N 3.17Å; I30-P160 HydrophobicContact CD1-CG 4.15Å; I30-N163 CarbonylContact C-O 3.5Å; I30-I165 HydrophobicContact CD1-CD1 3.67Å; I30-I165 HydrophobicContact CG1-CD1 3.65Å
31	S	97.5	Very high	93.6	Very high	5 Å²	5	54.8 Å²	54.8	4%	0.035	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	154.8	-176.6	61.2	0	0	0	0	112.3	R113 I114 N163 E164 I165	S31-R113 PolarHBondContact OG-NH2 3.24Å; S31-I114 CarbonylContact C-O 3.59Å; S31-I114 WeakPolarHBondContact CA-O 3.24Å; S31-I114 VanDerWaalsContact CB-O 3.23Å; S31-I114 WeakPolarHBondContact CB-O 3.44Å; S31-N163 PolarHBondContact N-O 3.05Å; S31-N163 PolarHBondContact OG-O 3.21Å; S31-E164 WeakPolarHBondContact OG-CA 3.22Å; S31-E164 WeakPolarHBondContact OG-CB 3.44Å; S31-I165 VanDerWaalsContact O-CD1 3.23Å; S31-I165 WeakPolarHBondContact O-CD1 3.4Å; S31-I165 PolarHBondContact O-N 2.81Å
32	L	96.3	Very high	95.3	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.8	179	-178.1	157.4	0	0	0	109	R34 L83 R113 I114 I165 Y167	L32-R34 HydrophobicContact CD2-CB 3.81Å; L32-L83 HydrophobicContact CB-CD1 3.95Å; L32-L83 HydrophobicContact CB-CD2 4.14Å; L32-L83 HydrophobicContact CB-CG 4.43Å; L32-L83 HydrophobicContact CD1-CB 4.26Å; L32-R113 CarbonylContact O-C 3.41Å; L32-R113 VanDerWaalsContact O-CA 3.31Å; L32-R113 WeakPolarHBondContact O-CA 3.41Å; L32-I114 HydrophobicContact CB-CB 4.44Å; L32-I114 HydrophobicContact CD2-CD1 4.47Å; L32-I114 PolarHBondContact N-O 2.81Å; L32-I114 PolarHBondContact O-N 3.5Å; L32-I165 CarbonylContact C-O 3.55Å; L32-I165 VanDerWaalsContact CA-O 3.24Å; L32-I165 WeakPolarHBondContact CA-O 3.37Å; L32-Y167 HydrophobicContact CD1-CD2 3.85Å; L32-Y167 HydrophobicContact CD1-CE2 3.46Å; L32-Y167 VanDerWaalsContact CD1-CE2 3.46Å; L32-Y167 HydrophobicContact CD2-CD2 4.17Å; L32-Y167 HydrophobicContact CG-CD2 3.84Å; L32-Y167 HydrophobicContact CG-CE2 3.92Å
33	I	97.4	Very high	96.4	Very high	31 Å²	31	53.3 Å²	53.3	16%	0.159	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130	171.2	-59.3	166.7	0	0	0	108.5	T111 C112 R113 E164 I165 V166 Y167	I33-T111 HydrophobicContact CG2-CG2 3.59Å; I33-C112 WeakPolarHBondContact CA-O 3.5Å; I33-R113 HydrophobicContact CG1-CB 4.05Å; I33-R113 HydrophobicContact CG1-CG 3.86Å; I33-E164 HydrophobicContact CD1-CG 3.99Å; I33-I165 PolarHBondContact N-O 3.02Å; I33-V166 HydrophobicContact CB-CG2 4.45Å; I33-V166 HydrophobicContact CD1-CG2 4.38Å; I33-Y167 PolarHBondContact O-N 3.27Å
34	R	96.7	Very high	96.9	Very high	57 Å²	57	50.8 Å²	50.8	22%	0.215	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	135.4	176	-175.4	175.2	174	168	-0.4	111.7	L32 I36 D40 C112	L32-R34 HydrophobicContact CD2-CB 3.81Å; R34-I36 HydrophobicContact CB-CD1 4.34Å; R34-I36 HydrophobicContact CG-CD1 3.96Å; R34-D40 IonicContact CZ-OD1 3.54Å; R34-D40 IonicContact NH2-OD1 3.68Å; R34-D40 PolarHBondContact NH2-OD1 3.42Å; R34-D40 IonicContact NH2-OD2 2.81Å; R34-C112 PolarHBondContact N-O 3.4Å; R34-C112 PolarHBondContact O-N 2.94Å
35	K	97.6	Very high	97.2	Very high	97 Å²	97	50.8 Å²	50.8	42%	0.422	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	129.4	165.5	-173.9	175.3	-177	174	0	110.2	D109 S169	K35-D109 WeakPolarHBondContact CE-O 3.47Å; K35-S169 PolarHBondContact O-OG 2.76Å
36	I	97.4	Very high	97.4	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	27%	0.273	C	S	.	.			trans	-98.4	105.9	-178.4	-50.3	-55.2	0	0	0	109.5	R34 D40 V41 V71 F75 L79 L106 D109 E110	R34-I36 HydrophobicContact CB-CD1 4.34Å; R34-I36 HydrophobicContact CG-CD1 3.96Å; I36-D40 HydrophobicContact CG2-CB 4.29Å; I36-V41 HydrophobicContact CG2-CG2 3.92Å; I36-V71 HydrophobicContact CB-CG2 4.14Å; I36-V71 HydrophobicContact CG2-CG1 3.94Å; I36-V71 HydrophobicContact CG2-CG2 3.72Å; I36-F75 HydrophobicContact CD1-CZ 4.17Å; I36-F75 HydrophobicContact CG2-CD1 4.21Å; I36-F75 HydrophobicContact CG2-CE1 3.48Å; I36-F75 VanDerWaalsContact CG2-CE1 3.48Å; I36-F75 HydrophobicContact CG2-CZ 3.99Å; I36-L79 HydrophobicContact CD1-CD1 3.73Å; I36-L106 HydrophobicContact CG1-CD2 3.93Å; I36-D109 VanDerWaalsContact O-CA 3.23Å; I36-D109 WeakPolarHBondContact O-CA 3.23Å; I36-D109 PolarHBondContact O-N 3.34Å; I36-E110 PolarHBondContact N-O 3.38Å
37	T	97.5	Very high	97.5	Very high	28 Å²	28	58 Å²	58	17%	0.172	28%	0.28	C	S	.	.			trans	-84.3	161.8	-174.2	68.8	0	0	0	0	112.3	K39 D40 V41 D109	T37-K39 PolarHBondContact O-N 3.01Å; T37-K39 PolarHBondContact OG1-N 2.78Å; T37-D40 WeakPolarHBondContact CB-OD2 3.47Å; T37-D40 PolarHBondContact N-OD2 3.42Å; T37-D40 WeakPolarHBondContact O-CB 3.36Å; T37-D40 PolarHBondContact O-N 3.28Å; T37-D40 VanDerWaalsContact O-N 3.15Å; T37-D40 PolarHBondContact OG1-N 2.85Å; T37-D40 VanDerWaalsContact OG1-N 3.12Å; T37-D40 PolarHBondContact OG1-OD2 2.82Å; T37-V41 PolarHBondContact O-N 3.34Å; T37-D109 WeakPolarHBondContact CA-OD1 3.5Å
38	T	97.4	Very high	97.6	Very high	61 Å²	61	59.7 Å²	59.7	37%	0.374	28%	0.283	S	S	.	.	H	α-helix	trans	-52.6	-35.9	167.5	-65.7	0	0	0	0	112.7	K42 V108 D109	T38-K42 HydrophobicContact CG2-CD 4.2Å; T38-K42 WeakPolarHBondContact O-CG 3.43Å; T38-K42 PolarHBondContact O-N 3.13Å; T38-K42 VanDerWaalsContact O-N 3.13Å; T38-V108 WeakPolarHBondContact OG1-CG1 3.38Å; T38-D109 PolarHBondContact N-OD1 3.17Å
39	K	97.4	Very high	97.7	Very high	135 Å²	135	60.7 Å²	60.7	59%	0.587	30%	0.3	S	S	*	.	H	α-helix	trans	-66.7	-45.7	178.4	-177	-179.2	177.8	-63.3	0	111	T37 V41 K42 D43	T37-K39 PolarHBondContact O-N 3.01Å; T37-K39 PolarHBondContact OG1-N 2.78Å; K39-V41 VanDerWaalsContact C-N 3.28Å; K39-V41 PolarHBondContact O-N 3.19Å; K39-K42 PolarHBondContact O-N 2.78Å; K39-D43 IonicContact NZ-OD2 3.88Å; K39-D43 PolarHBondContact NZ-OD2 3.39Å; K39-D43 WeakPolarHBondContact O-CB 3.32Å; K39-D43 PolarHBondContact O-N 2.93Å
40	D	97.4	Very high	97.7	Very high	26 Å²	26	56.9 Å²	56.9	14%	0.139	29%	0.291	C	S	.	.	H	α-helix	trans	-56.3	-44.8	178.1	-63.7	-58.9	0	0	0	111.6	R34 I36 T37 D43 F44 F75	R34-D40 IonicContact CZ-OD1 3.54Å; R34-D40 IonicContact NH2-OD1 3.68Å; R34-D40 PolarHBondContact NH2-OD1 3.42Å; R34-D40 IonicContact NH2-OD2 2.81Å; I36-D40 HydrophobicContact CG2-CB 4.29Å; T37-D40 WeakPolarHBondContact CB-OD2 3.47Å; T37-D40 PolarHBondContact N-OD2 3.42Å; T37-D40 WeakPolarHBondContact O-CB 3.36Å; T37-D40 PolarHBondContact O-N 3.28Å; T37-D40 VanDerWaalsContact O-N 3.15Å; T37-D40 PolarHBondContact OG1-N 2.85Å; T37-D40 VanDerWaalsContact OG1-N 3.12Å; T37-D40 PolarHBondContact OG1-OD2 2.82Å; D40-D43 PolarHBondContact O-N 2.83Å; D40-F44 WeakPolarHBondContact O-CB 3.49Å; D40-F44 PolarHBondContact O-N 2.85Å; D40-F75 HydrophobicContact CB-CE1 3.72Å; D40-F75 HydrophobicContact CB-CZ 3.75Å
41	V	98.4	Very high	97.7	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-66.9	-39.6	-179.3	178	0	0	0	0	111.7	I36 T37 K39 F44 A45 H55 L56 V71 F75 V108	I36-V41 HydrophobicContact CG2-CG2 3.92Å; T37-V41 PolarHBondContact O-N 3.34Å; K39-V41 VanDerWaalsContact C-N 3.28Å; K39-V41 PolarHBondContact O-N 3.19Å; V41-F44 PolarHBondContact O-N 3.31Å; V41-A45 WeakPolarHBondContact O-CB 3.45Å; V41-A45 PolarHBondContact O-N 3.09Å; V41-H55 HydrophobicContact CG1-CB 4.12Å; V41-H55 WeakPolarHBondContact CG1-O 3.38Å; V41-L56 HydrophobicContact CG1-CD2 4.16Å; V41-V71 HydrophobicContact CG2-CG2 4.13Å; V41-F75 HydrophobicContact CG2-CE1 4.41Å; V41-V108 HydrophobicContact CG2-CG1 4.49Å; V41-V108 HydrophobicContact CG2-CG2 4.03Å
42	K	98.3	Very high	97.8	Very high	120 Å²	120	66 Å²	66	52%	0.522	34%	0.338	S	S	.	.	H	α-helix	trans	-65.1	-43	174.1	-75.1	176.5	178.6	179.6	0	112	T38 K39 F44 A45 K46 L56	T38-K42 HydrophobicContact CG2-CD 4.2Å; T38-K42 WeakPolarHBondContact O-CG 3.43Å; T38-K42 PolarHBondContact O-N 3.13Å; T38-K42 VanDerWaalsContact O-N 3.13Å; K39-K42 PolarHBondContact O-N 2.78Å; K42-F44 VanDerWaalsContact C-N 3.35Å; K42-A45 PolarHBondContact O-N 3.33Å; K42-K46 WeakPolarHBondContact O-CB 3.42Å; K42-K46 PolarHBondContact O-N 2.75Å; K42-L56 HydrophobicContact CG-CD2 4.06Å
43	D	98.1	Very high	97.9	Very high	75 Å²	75	68.3 Å²	68.3	40%	0.401	35%	0.353	S	S	.	.	H	α-helix	trans	-65.1	-40.9	178.5	-72.4	-18.8	0	0	0	110.8	K39 D40 K46 L47	K39-D43 IonicContact NZ-OD2 3.88Å; K39-D43 PolarHBondContact NZ-OD2 3.39Å; K39-D43 WeakPolarHBondContact O-CB 3.32Å; K39-D43 PolarHBondContact O-N 2.93Å; D40-D43 PolarHBondContact O-N 2.83Å; D43-K46 PolarHBondContact O-N 3.23Å; D43-L47 WeakPolarHBondContact O-CB 3.41Å; D43-L47 PolarHBondContact O-N 2.79Å
44	F	98.3	Very high	97.9	Very high	37 Å²	37	68.3 Å²	68.3	16%	0.162	35%	0.353	C	S	.	.	H	α-helix	trans	-65	-43.1	174.7	-170.1	-93.2	0	0	0	112.4	D40 V41 K42 K46 L47 T48 H72 I74 F75	D40-F44 WeakPolarHBondContact O-CB 3.49Å; D40-F44 PolarHBondContact O-N 2.85Å; V41-F44 PolarHBondContact O-N 3.31Å; K42-F44 VanDerWaalsContact C-N 3.35Å; F44-K46 VanDerWaalsContact C-N 3.33Å; F44-K46 PolarHBondContact O-N 3.39Å; F44-L47 PolarHBondContact O-N 3.12Å; F44-T48 HydrophobicContact CD1-CG2 4.06Å; F44-T48 HydrophobicContact CD2-CG2 4.46Å; F44-T48 HydrophobicContact CE1-CG2 3.61Å; F44-T48 HydrophobicContact CE2-CG2 4.06Å; F44-T48 HydrophobicContact CG-CG2 4.47Å; F44-T48 HydrophobicContact CZ-CG2 3.62Å; F44-T48 WeakPolarHBondContact O-CB 3.42Å; F44-T48 WeakPolarHBondContact O-CG2 3.38Å; F44-T48 PolarHBondContact O-N 2.82Å; F44-T48 PolarHBondContact O-OG1 2.84Å; F44-H72 HydrophobicContact CD1-CB 3.96Å; F44-H72 AromaticContact CD1-CG 3.67Å; F44-H72 AromaticContact CD1-ND1 3.68Å; F44-H72 HydrophobicContact CE1-CB 3.75Å; F44-H72 AromaticContact CE1-CG 3.83Å; F44-I74 HydrophobicContact CZ-CB 4.43Å; F44-I74 HydrophobicContact CZ-CG2 4.25Å; F44-F75 HydrophobicContact CB-CD1 4.17Å; F44-F75 HydrophobicContact CD1-CB 4.1Å; F44-F75 HydrophobicContact CD2-CB 4Å; F44-F75 HydrophobicContact CD2-CD1 4.46Å; F44-F75 HydrophobicContact CD2-CD2 4.18Å; F44-F75 AromaticContact CD2-CG 3.96Å; F44-F75 HydrophobicContact CD2-CG 3.96Å; F44-F75 HydrophobicContact CE1-CB 4.06Å; F44-F75 HydrophobicContact CE2-CB 3.95Å; F44-F75 HydrophobicContact CE2-CG 4.34Å; F44-F75 HydrophobicContact CG-CB 4.07Å; F44-F75 HydrophobicContact CG-CD1 4.2Å; F44-F75 HydrophobicContact CG-CG 4.09Å; F44-F75 HydrophobicContact CZ-CB 3.99Å
45	A	98.5	Very high	98	Very high	3 Å²	3	66.7 Å²	66.7	3%	0.025	35%	0.348	C	S	.	.	H	α-helix	trans	-62.3	-40.4	175.1	0	0	0	0	0	111.8	V41 K42 G49 D50 L56	V41-A45 WeakPolarHBondContact O-CB 3.45Å; V41-A45 PolarHBondContact O-N 3.09Å; K42-A45 PolarHBondContact O-N 3.33Å; A45-G49 VanDerWaalsContact O-CA 3.3Å; A45-G49 WeakPolarHBondContact O-CA 3.25Å; A45-G49 PolarHBondContact O-N 3.34Å; A45-D50 VanDerWaalsContact CB-O 3.31Å; A45-D50 WeakPolarHBondContact CB-O 3.27Å; A45-D50 PolarHBondContact O-N 3.01Å; A45-L56 HydrophobicContact CB-CD1 3.96Å; A45-L56 HydrophobicContact CB-CD2 3.91Å; A45-L56 HydrophobicContact CB-CG 4.38Å
46	K	98.2	Very high	98	Very high	182 Å²	182	65.1 Å²	65.1	79%	0.791	34%	0.343	S	S	*	.	H	α-helix	trans	-64.2	-41.1	175	-177.4	-178.2	177.4	-175.9	0	112	K42 D43 F44	K42-K46 WeakPolarHBondContact O-CB 3.42Å; K42-K46 PolarHBondContact O-N 2.75Å; D43-K46 PolarHBondContact O-N 3.23Å; F44-K46 VanDerWaalsContact C-N 3.33Å; F44-K46 PolarHBondContact O-N 3.39Å
47	L	98.1	Very high	98.1	Very high	144 Å²	144	68.2 Å²	68.2	75%	0.754	36%	0.36	S	S	*	.	H	α-helix	trans	-67.2	-44	179.7	177.5	64	0	0	0	112.1	D43 F44	D43-L47 WeakPolarHBondContact O-CB 3.41Å; D43-L47 PolarHBondContact O-N 2.79Å; F44-L47 PolarHBondContact O-N 3.12Å
48	T	98.1	Very high	98.1	Very high	71 Å²	71	69.9 Å²	69.9	44%	0.436	37%	0.373	S	S	.	.	H	α-helix	trans	-90.2	-22.5	-173.3	56.9	0	0	0	0	113.7	F44 D50	F44-T48 HydrophobicContact CD1-CG2 4.06Å; F44-T48 HydrophobicContact CD2-CG2 4.46Å; F44-T48 HydrophobicContact CE1-CG2 3.61Å; F44-T48 HydrophobicContact CE2-CG2 4.06Å; F44-T48 HydrophobicContact CG-CG2 4.47Å; F44-T48 HydrophobicContact CZ-CG2 3.62Å; F44-T48 WeakPolarHBondContact O-CB 3.42Å; F44-T48 WeakPolarHBondContact O-CG2 3.38Å; F44-T48 PolarHBondContact O-N 2.82Å; F44-T48 PolarHBondContact O-OG1 2.84Å; T48-D50 PolarHBondContact OG1-N 2.82Å
49	G	98.2	Very high	98.1	Very high	52 Å²	52	71.7 Å²	71.7	54%	0.536	38%	0.38	S	S	.	.			trans	78.8	2	-167.9	0	0	0	0	0	113.8	A45 I51	A45-G49 VanDerWaalsContact O-CA 3.3Å; A45-G49 WeakPolarHBondContact O-CA 3.25Å; A45-G49 PolarHBondContact O-N 3.34Å; G49-I51 VanDerWaalsContact C-N 3.3Å; G49-I51 PolarHBondContact O-N 2.88Å
50	D	98.3	Very high	98.2	Very high	67 Å²	67	70.1 Å²	70.1	36%	0.358	37%	0.371	S	S	.	.			trans	-76.6	82.8	175.9	-169.6	-12	0	0	0	111	A45 T48 N52 H55 H72	A45-D50 VanDerWaalsContact CB-O 3.31Å; A45-D50 WeakPolarHBondContact CB-O 3.27Å; A45-D50 PolarHBondContact O-N 3.01Å; T48-D50 PolarHBondContact OG1-N 2.82Å; D50-N52 VanDerWaalsContact C-N 3.3Å; D50-N52 VanDerWaalsContact OD1-CB 3.29Å; D50-N52 WeakPolarHBondContact OD1-CB 3.25Å; D50-N52 PolarHBondContact OD1-N 2.99Å; D50-H55 IonicContact OD1-CD2 2.76Å; D50-H72 PolarHBondContact O-NE2 3.37Å; D50-H72 VanDerWaalsContact O-NE2 3.14Å; D50-H72 IonicContact OD2-CD2 3.96Å; D50-H72 PolarHBondContact OD2-CD2 2.89Å; D50-H72 IonicContact OD2-NE2 2.69Å
51	I	97.6	Very high	98.2	Very high	126 Å²	126	68.9 Å²	68.9	65%	0.646	37%	0.365	S	S	*	.			trans	-91.8	25.4	177.8	60.1	166.9	0	0	0	112.8	G49 L56	G49-I51 VanDerWaalsContact C-N 3.3Å; G49-I51 PolarHBondContact O-N 2.88Å; I51-L56 HydrophobicContact CB-CD1 4.31Å; I51-L56 HydrophobicContact CG2-CD1 4.44Å
52	N	98.1	Very high	98.2	Very high	71 Å²	71	74.4 Å²	74.4	38%	0.38	39%	0.389	S	S	.	.			trans	-57.1	124.3	175	-177.2	-22.3	0	0	0	109.9	D50 I54 H55	D50-N52 VanDerWaalsContact C-N 3.3Å; D50-N52 VanDerWaalsContact OD1-CB 3.29Å; D50-N52 WeakPolarHBondContact OD1-CB 3.25Å; D50-N52 PolarHBondContact OD1-N 2.99Å; N52-I54 HydrophobicContact CB-CG2 4.26Å; N52-I54 PolarHBondContact O-N 2.6Å; N52-I54 VanDerWaalsContact OD1-CG2 3.3Å; N52-I54 WeakPolarHBondContact OD1-CG2 3.41Å; N52-I54 PolarHBondContact OD1-N 2.93Å; N52-H55 PolarHBondContact O-N 2.88Å
53	P	98.3	Very high	98.2	Very high	49 Å²	49	76.4 Å²	76.4	32%	0.318	40%	0.4	S	S	.	.	H	α-helix	trans	-62.2	-18.2	-172.1	24.2	-35.6	0	0	0	113.6	H55 L56 D57 Y60	P53-H55 PolarHBondContact O-N 3.46Å; P53-H55 VanDerWaalsContact O-N 3.14Å; P53-L56 PolarHBondContact O-N 2.85Å; P53-D57 HydrophobicContact CB-CB 4.09Å; P53-D57 PolarHBondContact O-N 2.89Å; P53-Y60 HydrophobicContact CB-CD1 3.79Å; P53-Y60 HydrophobicContact CB-CD2 4.16Å; P53-Y60 HydrophobicContact CB-CE1 4.32Å; P53-Y60 HydrophobicContact CB-CG 3.7Å; P53-Y60 HydrophobicContact CG-CD1 3.83Å; P53-Y60 HydrophobicContact CG-CD2 3.94Å; P53-Y60 HydrophobicContact CG-CE1 3.85Å; P53-Y60 HydrophobicContact CG-CE2 3.95Å; P53-Y60 HydrophobicContact CG-CG 3.87Å
54	I	98.3	Very high	98.2	Very high	31 Å²	31	74.1 Å²	74.1	16%	0.159	39%	0.389	C	S	.	.	H	α-helix	trans	-58.3	-24.9	172.8	-160.5	170.4	0	0	0	113.2	N52 Y60 Y66 C69 V70	N52-I54 HydrophobicContact CB-CG2 4.26Å; N52-I54 PolarHBondContact O-N 2.6Å; N52-I54 VanDerWaalsContact OD1-CG2 3.3Å; N52-I54 WeakPolarHBondContact OD1-CG2 3.41Å; N52-I54 PolarHBondContact OD1-N 2.93Å; I54-Y60 HydrophobicContact CB-CD1 4.49Å; I54-Y60 HydrophobicContact CB-CE1 4.19Å; I54-Y66 HydrophobicContact CD1-CD2 3.66Å; I54-Y66 HydrophobicContact CD1-CE2 3.8Å; I54-C69 VanDerWaalsContact O-CA 3.26Å; I54-C69 WeakPolarHBondContact O-CA 3.25Å; I54-V70 HydrophobicContact CD1-CG2 4.42Å; I54-V70 HydrophobicContact CG1-CB 4.5Å; I54-V70 HydrophobicContact CG1-CG2 4.25Å; I54-V70 PolarHBondContact O-N 3.27Å
55	H	98.6	Very high	98.2	Very high	24 Å²	24	83 Å²	83	11%	0.111	42%	0.421	C	S	.	.	H	α-helix	trans	-91.6	-25.4	179.7	-55	-55	0	0	0	112.9	V41 D50 N52 P53 V70 H72	V41-H55 HydrophobicContact CG1-CB 4.12Å; V41-H55 WeakPolarHBondContact CG1-O 3.38Å; D50-H55 IonicContact OD1-CD2 2.76Å; N52-H55 PolarHBondContact O-N 2.88Å; P53-H55 PolarHBondContact O-N 3.46Å; P53-H55 VanDerWaalsContact O-N 3.14Å; H55-V70 WeakPolarHBondContact CA-O 3.42Å; H55-V70 PolarHBondContact ND1-O 3.06Å; H55-H72 VanDerWaalsContact CB-CE1 3.47Å; H55-H72 WeakPolarHBondContact CB-CE1 3.25Å; H55-H72 AromaticContact CD2-CD2 3.31Å; H55-H72 PolarHBondContact CD2-CD2 3.15Å; H55-H72 AromaticContact CD2-CE1 3.71Å; H55-H72 AromaticContact CD2-CG 3.97Å; H55-H72 AromaticContact CD2-NE2 3.13Å; H55-H72 PolarHBondContact CD2-NE2 2.87Å; H55-H72 AromaticContact CE1-CD2 3.92Å; H55-H72 AromaticContact CG-CD2 3.74Å; H55-H72 AromaticContact CG-CE1 3.5Å; H55-H72 VanDerWaalsContact CG-CE1 3.5Å; H55-H72 AromaticContact CG-CG 3.97Å; H55-H72 AromaticContact CG-ND1 3.85Å; H55-H72 AromaticContact CG-NE2 3.43Å; H55-H72 AromaticContact ND1-CG 3.99Å; H55-H72 AromaticContact NE2-CD2 3.48Å; H55-H72 PolarHBondContact NE2-CD2 3.38Å; H55-H72 AromaticContact NE2-NE2 3.83Å
56	L	98.3	Very high	98.1	Very high	63 Å²	63	87 Å²	87	33%	0.33	44%	0.436	S	S	.	.	H	α-helix	trans	-123.1	-30.4	-162	-59	177.4	0	0	0	114.3	V41 K42 A45 I51 P53	V41-L56 HydrophobicContact CG1-CD2 4.16Å; K42-L56 HydrophobicContact CG-CD2 4.06Å; A45-L56 HydrophobicContact CB-CD1 3.96Å; A45-L56 HydrophobicContact CB-CD2 3.91Å; A45-L56 HydrophobicContact CB-CG 4.38Å; I51-L56 HydrophobicContact CB-CD1 4.31Å; I51-L56 HydrophobicContact CG2-CD1 4.44Å; P53-L56 PolarHBondContact O-N 2.85Å
57	D	98.2	Very high	98.1	Very high	67 Å²	67	83.7 Å²	83.7	36%	0.358	42%	0.424	S	S	.	.			trans	-109	107.2	-173.3	-177.8	-4.8	0	0	0	110.8	P53 N59 Y60 A61	P53-D57 HydrophobicContact CB-CB 4.09Å; P53-D57 PolarHBondContact O-N 2.89Å; D57-N59 VanDerWaalsContact C-N 3.26Å; D57-N59 PolarHBondContact O-N 3.18Å; D57-N59 WeakPolarHBondContact OD1-CA 3.49Å; D57-N59 WeakPolarHBondContact OD1-CB 3.3Å; D57-N59 PolarHBondContact OD1-N 3.25Å; D57-Y60 PolarHBondContact O-N 3.36Å; D57-Y60 PolarHBondContact OD1-N 2.84Å; D57-A61 WeakPolarHBondContact O-CB 3.35Å; D57-A61 PolarHBondContact O-N 3.13Å
58	S	97.7	Very high	98	Very high	62 Å²	62	83 Å²	83	43%	0.434	41%	0.414	S	S	.	.	H	α-helix	trans	-61.3	-30.6	177.3	69.9	0	0	0	0	113.6	K62	S58-K62 WeakPolarHBondContact O-CB 3.45Å; S58-K62 WeakPolarHBondContact O-CD 3.39Å; S58-K62 WeakPolarHBondContact O-CG 3.49Å; S58-K62 PolarHBondContact O-N 3.24Å
59	N	98.2	Very high	98.1	Very high	99 Å²	99	80.5 Å²	80.5	53%	0.529	40%	0.4	S	S	.	.	H	α-helix	trans	-73	-39.2	178.3	-68.1	-33.7	0	0	0	111.2	D57 Q63	D57-N59 VanDerWaalsContact C-N 3.26Å; D57-N59 PolarHBondContact O-N 3.18Å; D57-N59 WeakPolarHBondContact OD1-CA 3.49Å; D57-N59 WeakPolarHBondContact OD1-CB 3.3Å; D57-N59 PolarHBondContact OD1-N 3.25Å; N59-Q63 WeakPolarHBondContact O-CG 3.45Å; N59-Q63 PolarHBondContact O-NE2 3.45Å
60	Y	98.5	Very high	98.1	Very high	103 Å²	103	78.8 Å²	78.8	40%	0.404	38%	0.379	S	S	.	.	H	α-helix	trans	-65.4	-49.4	171.7	-178.7	-91	0	0	0	110.8	P53 I54 D57 K62 Q63 T64	P53-Y60 HydrophobicContact CB-CD1 3.79Å; P53-Y60 HydrophobicContact CB-CD2 4.16Å; P53-Y60 HydrophobicContact CB-CE1 4.32Å; P53-Y60 HydrophobicContact CB-CG 3.7Å; P53-Y60 HydrophobicContact CG-CD1 3.83Å; P53-Y60 HydrophobicContact CG-CD2 3.94Å; P53-Y60 HydrophobicContact CG-CE1 3.85Å; P53-Y60 HydrophobicContact CG-CE2 3.95Å; P53-Y60 HydrophobicContact CG-CG 3.87Å; I54-Y60 HydrophobicContact CB-CD1 4.49Å; I54-Y60 HydrophobicContact CB-CE1 4.19Å; D57-Y60 PolarHBondContact O-N 3.36Å; D57-Y60 PolarHBondContact OD1-N 2.84Å; Y60-K62 VanDerWaalsContact C-N 3.31Å; Y60-K62 PolarHBondContact O-N 2.79Å; Y60-Q63 WeakPolarHBondContact O-CB 3.37Å; Y60-Q63 PolarHBondContact O-N 2.94Å; Y60-T64 HydrophobicContact CD1-CG2 4.18Å; Y60-T64 HydrophobicContact CE1-CG2 3.88Å
61	A	98.3	Very high	98.1	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-61	-37.3	-176.8	0	0	0	0	0	113	D57 Q63 T64 Q67 K68	D57-A61 WeakPolarHBondContact O-CB 3.35Å; D57-A61 PolarHBondContact O-N 3.13Å; A61-Q63 PolarHBondContact O-N 2.87Å; A61-T64 PolarHBondContact O-N 2.99Å; A61-T64 PolarHBondContact O-OG1 2.94Å; A61-Q67 WeakPolarHBondContact O-CA 3.44Å; A61-Q67 PolarHBondContact O-N 3.21Å; A61-K68 VanDerWaalsContact CB-C 3.47Å
62	K	98.1	Very high	98.1	Very high	117 Å²	117	70.1 Å²	70.1	51%	0.509	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-24	171.8	-79.4	170.2	-173.6	173.6	0	114.1	S58 Y60 Q67	S58-K62 WeakPolarHBondContact O-CB 3.45Å; S58-K62 WeakPolarHBondContact O-CD 3.39Å; S58-K62 WeakPolarHBondContact O-CG 3.49Å; S58-K62 PolarHBondContact O-N 3.24Å; Y60-K62 VanDerWaalsContact C-N 3.31Å; Y60-K62 PolarHBondContact O-N 2.79Å; K62-Q67 VanDerWaalsContact O-CD 3.28Å; K62-Q67 PolarHBondContact O-NE2 3.37Å; K62-Q67 PolarHBondContact O-OE1 3.31Å
63	Q	98.1	Very high	98.1	Very high	162 Å²	162	68.1 Å²	68.1	76%	0.757	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-9.2	178.1	-62.7	170.1	43.3	0	0	112.5	N59 Y60 A61	N59-Q63 WeakPolarHBondContact O-CG 3.45Å; N59-Q63 PolarHBondContact O-NE2 3.45Å; Y60-Q63 WeakPolarHBondContact O-CB 3.37Å; Y60-Q63 PolarHBondContact O-N 2.94Å; A61-Q63 PolarHBondContact O-N 2.87Å
64	T	97.9	Very high	98.1	Very high	27 Å²	27	70.6 Å²	70.6	17%	0.166	34%	0.339	C	S	.	.	S	Bend	trans	-92.7	167.3	177.8	76.7	0	0	0	0	111.2	Y60 A61 Y66 Q67	Y60-T64 HydrophobicContact CD1-CG2 4.18Å; Y60-T64 HydrophobicContact CE1-CG2 3.88Å; A61-T64 PolarHBondContact O-N 2.99Å; A61-T64 PolarHBondContact O-OG1 2.94Å; T64-Y66 PolarHBondContact O-N 2.94Å; T64-Y66 WeakPolarHBondContact OG1-CB 3.48Å; T64-Y66 PolarHBondContact OG1-N 3.15Å; T64-Q67 PolarHBondContact O-N 3.39Å; T64-Q67 PolarHBondContact O-NE2 2.92Å
65	R	97.6	Very high	98.1	Very high	222 Å²	222	69.9 Å²	69.9	84%	0.838	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-16.8	171.8	68.5	179.2	-67	-175.3	-1.7	114.6
66	Y	97.2	Very high	98.1	Very high	88 Å²	88	68.8 Å²	68.8	35%	0.345	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-25.1	-177	-63.8	-65.3	0	0	0	113.1	I54 T64 K68 V70 P105 F107	I54-Y66 HydrophobicContact CD1-CD2 3.66Å; I54-Y66 HydrophobicContact CD1-CE2 3.8Å; T64-Y66 PolarHBondContact O-N 2.94Å; T64-Y66 WeakPolarHBondContact OG1-CB 3.48Å; T64-Y66 PolarHBondContact OG1-N 3.15Å; Y66-K68 PolarHBondContact O-N 2.92Å; Y66-V70 HydrophobicContact CD1-CG2 4.22Å; Y66-V70 HydrophobicContact CD2-CG2 4.24Å; Y66-V70 HydrophobicContact CG-CG2 3.88Å; Y66-P105 HydrophobicContact CD1-CB 4.06Å; Y66-P105 HydrophobicContact CD1-CG 3.85Å; Y66-P105 HydrophobicContact CE1-CB 4.03Å; Y66-P105 HydrophobicContact CE1-CG 3.93Å; Y66-F107 WeakPolarHBondContact O-CE1 3.26Å
67	Q	97.7	Very high	98.1	Very high	113 Å²	113	67.3 Å²	67.3	53%	0.528	32%	0.322	S	S	.	.			trans	60.8	-9.3	176.9	-59.9	-68.2	-54.7	0	0	116.7	A61 K62 T64	A61-Q67 WeakPolarHBondContact O-CA 3.44Å; A61-Q67 PolarHBondContact O-N 3.21Å; K62-Q67 VanDerWaalsContact O-CD 3.28Å; K62-Q67 PolarHBondContact O-NE2 3.37Å; K62-Q67 PolarHBondContact O-OE1 3.31Å; T64-Q67 PolarHBondContact O-N 3.39Å; T64-Q67 PolarHBondContact O-NE2 2.92Å
68	K	97.8	Very high	98	Very high	128 Å²	128	65.8 Å²	65.8	56%	0.557	32%	0.322	S	S	*	.	S	Bend	trans	-141	155	179.9	-64.8	180	-178.2	-180	0	109.4	A61 Y66 V70 F107	A61-K68 VanDerWaalsContact CB-C 3.47Å; Y66-K68 PolarHBondContact O-N 2.92Å; K68-V70 PolarHBondContact O-N 2.85Å; K68-F107 HydrophobicContact CB-CB 4.47Å; K68-F107 HydrophobicContact CB-CD1 3.6Å; K68-F107 HydrophobicContact CB-CE1 4.05Å; K68-F107 HydrophobicContact CB-CG 4.18Å; K68-F107 HydrophobicContact CD-CB 4.44Å; K68-F107 HydrophobicContact CD-CD1 4.42Å; K68-F107 HydrophobicContact CD-CG 4.25Å
69	C	98.7	Very high	98	Very high	19 Å²	19	63.2 Å²	63.2	13%	0.128	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-60	138.6	174.7	-66.2	0	0	0	0	110.4	I54 F107 V108	I54-C69 VanDerWaalsContact O-CA 3.26Å; I54-C69 WeakPolarHBondContact O-CA 3.25Å; C69-F107 WeakPolarHBondContact O-CA 3.35Å; C69-V108 HydrophobicContact CB-CB 4.33Å; C69-V108 HydrophobicContact CB-CG2 3.55Å; C69-V108 PolarHBondContact O-N 2.87Å; C69-V108 VanDerWaalsContact O-N 3.08Å
70	V	98.6	Very high	98	Very high	17 Å²	17	58.5 Å²	58.5	10%	0.103	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-103.2	137.9	-178.4	-178	0	0	0	0	108.9	I54 H55 Y66 K68 P105 L106 F107	I54-V70 HydrophobicContact CD1-CG2 4.42Å; I54-V70 HydrophobicContact CG1-CB 4.5Å; I54-V70 HydrophobicContact CG1-CG2 4.25Å; I54-V70 PolarHBondContact O-N 3.27Å; H55-V70 WeakPolarHBondContact CA-O 3.42Å; H55-V70 PolarHBondContact ND1-O 3.06Å; Y66-V70 HydrophobicContact CD1-CG2 4.22Å; Y66-V70 HydrophobicContact CD2-CG2 4.24Å; Y66-V70 HydrophobicContact CG-CG2 3.88Å; K68-V70 PolarHBondContact O-N 2.85Å; V70-P105 HydrophobicContact CG1-CB 3.82Å; V70-P105 HydrophobicContact CG2-CB 4.19Å; V70-L106 CarbonylContact C-O 3.56Å; V70-L106 WeakPolarHBondContact CA-O 3.36Å; V70-F107 HydrophobicContact CG2-CD1 4.23Å; V70-F107 HydrophobicContact CG2-CE1 4.17Å
71	V	98.6	Very high	97.8	Very high	6 Å²	6	56.4 Å²	56.4	4%	0.036	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-70.2	138.6	171.7	178.4	0	0	0	0	109.3	I36 V41 G73 F75 L106 V108	I36-V71 HydrophobicContact CB-CG2 4.14Å; I36-V71 HydrophobicContact CG2-CG1 3.94Å; I36-V71 HydrophobicContact CG2-CG2 3.72Å; V41-V71 HydrophobicContact CG2-CG2 4.13Å; V71-G73 PolarHBondContact O-N 2.81Å; V71-F75 HydrophobicContact CG1-CB 4.22Å; V71-F75 HydrophobicContact CG1-CD1 3.69Å; V71-F75 HydrophobicContact CG1-CE1 4.36Å; V71-F75 HydrophobicContact CG1-CG 4.23Å; V71-L106 HydrophobicContact CB-CB 4.24Å; V71-L106 HydrophobicContact CB-CD2 4.08Å; V71-L106 HydrophobicContact CB-CG 4.23Å; V71-L106 HydrophobicContact CG1-CD2 4.21Å; V71-L106 HydrophobicContact CG2-CB 4.44Å; V71-L106 HydrophobicContact CG2-CD2 4.02Å; V71-L106 HydrophobicContact CG2-CG 3.98Å; V71-L106 PolarHBondContact N-O 2.84Å; V71-V108 HydrophobicContact CG2-CG2 4.36Å
72	H	98.5	Very high	97.7	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.019	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-55.4	128.1	175.4	-54.9	76.2	0	0	0	110.8	F44 D50 H55 I74 F75 V76	F44-H72 HydrophobicContact CD1-CB 3.96Å; F44-H72 AromaticContact CD1-CG 3.67Å; F44-H72 AromaticContact CD1-ND1 3.68Å; F44-H72 HydrophobicContact CE1-CB 3.75Å; F44-H72 AromaticContact CE1-CG 3.83Å; D50-H72 PolarHBondContact O-NE2 3.37Å; D50-H72 VanDerWaalsContact O-NE2 3.14Å; D50-H72 IonicContact OD2-CD2 3.96Å; D50-H72 PolarHBondContact OD2-CD2 2.89Å; D50-H72 IonicContact OD2-NE2 2.69Å; H55-H72 VanDerWaalsContact CB-CE1 3.47Å; H55-H72 WeakPolarHBondContact CB-CE1 3.25Å; H55-H72 AromaticContact CD2-CD2 3.31Å; H55-H72 PolarHBondContact CD2-CD2 3.15Å; H55-H72 AromaticContact CD2-CE1 3.71Å; H55-H72 AromaticContact CD2-CG 3.97Å; H55-H72 AromaticContact CD2-NE2 3.13Å; H55-H72 PolarHBondContact CD2-NE2 2.87Å; H55-H72 AromaticContact CE1-CD2 3.92Å; H55-H72 AromaticContact CG-CD2 3.74Å; H55-H72 AromaticContact CG-CE1 3.5Å; H55-H72 VanDerWaalsContact CG-CE1 3.5Å; H55-H72 AromaticContact CG-CG 3.97Å; H55-H72 AromaticContact CG-ND1 3.85Å; H55-H72 AromaticContact CG-NE2 3.43Å; H55-H72 AromaticContact ND1-CG 3.99Å; H55-H72 AromaticContact NE2-CD2 3.48Å; H55-H72 PolarHBondContact NE2-CD2 3.38Å; H55-H72 AromaticContact NE2-NE2 3.83Å; H72-I74 PolarHBondContact O-N 2.76Å; H72-F75 HydrophobicContact CB-CB 4.01Å; H72-F75 VanDerWaalsContact O-CB 3.25Å; H72-F75 WeakPolarHBondContact O-CB 3.45Å; H72-F75 PolarHBondContact O-N 3.18Å; H72-V76 PolarHBondContact O-N 3.49Å
73	G	97.6	Very high	97.6	Very high	29 Å²	29	52.5 Å²	52.5	30%	0.299	27%	0.266	S	S	.	.	H	α-helix	trans	-58.5	-36.1	178.8	0	0	0	0	0	112.9	V71 F75 V76 Q77 F102	V71-G73 PolarHBondContact O-N 2.81Å; G73-F75 VanDerWaalsContact C-N 3.27Å; G73-F75 PolarHBondContact O-N 2.91Å; G73-V76 WeakPolarHBondContact O-CB 3.46Å; G73-V76 PolarHBondContact O-N 3.36Å; G73-Q77 PolarHBondContact O-N 2.83Å; G73-F102 VanDerWaalsContact O-CE1 3.31Å; G73-F102 WeakPolarHBondContact O-CE1 3.27Å
74	I	97.7	Very high	97.5	Very high	101 Å²	101	44.9 Å²	44.9	52%	0.518	23%	0.23	S	C	.	.	H	α-helix	trans	-68.2	-25.9	176.3	-58.2	-56.4	0	0	0	112.3	F44 H72 V76 Q77 G78	F44-I74 HydrophobicContact CZ-CB 4.43Å; F44-I74 HydrophobicContact CZ-CG2 4.25Å; H72-I74 PolarHBondContact O-N 2.76Å; I74-V76 VanDerWaalsContact C-N 3.34Å; I74-Q77 WeakPolarHBondContact O-CB 3.42Å; I74-Q77 PolarHBondContact O-N 3.05Å; I74-G78 PolarHBondContact O-N 3.49Å
75	F	98.3	Very high	97.4	Very high	16 Å²	16	44.8 Å²	44.8	7%	0.07	23%	0.234	C	C	.	.	H	α-helix	trans	-63.9	-41.9	172.2	-178.4	-174.2	0	0	0	110.2	I36 D40 V41 F44 V71 H72 G73 Q77 G78 L79	I36-F75 HydrophobicContact CD1-CZ 4.17Å; I36-F75 HydrophobicContact CG2-CD1 4.21Å; I36-F75 HydrophobicContact CG2-CE1 3.48Å; I36-F75 VanDerWaalsContact CG2-CE1 3.48Å; I36-F75 HydrophobicContact CG2-CZ 3.99Å; D40-F75 HydrophobicContact CB-CE1 3.72Å; D40-F75 HydrophobicContact CB-CZ 3.75Å; V41-F75 HydrophobicContact CG2-CE1 4.41Å; F44-F75 HydrophobicContact CB-CD1 4.17Å; F44-F75 HydrophobicContact CD1-CB 4.1Å; F44-F75 HydrophobicContact CD2-CB 4Å; F44-F75 HydrophobicContact CD2-CD1 4.46Å; F44-F75 HydrophobicContact CD2-CD2 4.18Å; F44-F75 AromaticContact CD2-CG 3.96Å; F44-F75 HydrophobicContact CD2-CG 3.96Å; F44-F75 HydrophobicContact CE1-CB 4.06Å; F44-F75 HydrophobicContact CE2-CB 3.95Å; F44-F75 HydrophobicContact CE2-CG 4.34Å; F44-F75 HydrophobicContact CG-CB 4.07Å; F44-F75 HydrophobicContact CG-CD1 4.2Å; F44-F75 HydrophobicContact CG-CG 4.09Å; F44-F75 HydrophobicContact CZ-CB 3.99Å; V71-F75 HydrophobicContact CG1-CB 4.22Å; V71-F75 HydrophobicContact CG1-CD1 3.69Å; V71-F75 HydrophobicContact CG1-CE1 4.36Å; V71-F75 HydrophobicContact CG1-CG 4.23Å; H72-F75 HydrophobicContact CB-CB 4.01Å; H72-F75 VanDerWaalsContact O-CB 3.25Å; H72-F75 WeakPolarHBondContact O-CB 3.45Å; H72-F75 PolarHBondContact O-N 3.18Å; G73-F75 VanDerWaalsContact C-N 3.27Å; G73-F75 PolarHBondContact O-N 2.91Å; F75-Q77 VanDerWaalsContact C-N 3.28Å; F75-Q77 PolarHBondContact O-N 3.38Å; F75-G78 WeakPolarHBondContact O-CA 3.47Å; F75-G78 PolarHBondContact O-N 2.93Å; F75-L79 HydrophobicContact CD2-CG 4.36Å; F75-L79 HydrophobicContact CE2-CD2 3.91Å; F75-L79 HydrophobicContact CE2-CG 4.16Å; F75-L79 PolarHBondContact O-N 2.89Å; F75-L79 VanDerWaalsContact O-N 3.1Å
76	V	98.1	Very high	97.2	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-59.3	-39.5	174.1	-174.8	0	0	0	0	111.4	H72 G73 I74 G78 L79 I80 L106 I114 A132 I141 L142	H72-V76 PolarHBondContact O-N 3.49Å; G73-V76 WeakPolarHBondContact O-CB 3.46Å; G73-V76 PolarHBondContact O-N 3.36Å; I74-V76 VanDerWaalsContact C-N 3.34Å; V76-G78 VanDerWaalsContact C-N 3.32Å; V76-G78 PolarHBondContact O-N 3.3Å; V76-L79 WeakPolarHBondContact O-CB 3.12Å; V76-L79 PolarHBondContact O-N 3.1Å; V76-I80 PolarHBondContact O-N 3.23Å; V76-L106 HydrophobicContact CG2-CD2 4.09Å; V76-I114 HydrophobicContact CG1-CD1 4.38Å; V76-A132 HydrophobicContact CG1-CB 3.79Å; V76-I141 HydrophobicContact CG2-CG2 4.24Å; V76-L142 HydrophobicContact CB-CD1 4.48Å; V76-L142 HydrophobicContact CG1-CB 4.28Å; V76-L142 HydrophobicContact CG1-CD1 4.16Å
77	Q	98	Very high	97	Very high	31 Å²	31	37 Å²	37	15%	0.145	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-35.6	172.4	-67.4	-174.5	21.7	0	0	112.9	G73 I74 F75 L79 I80 S81 F102 L142 F146	G73-Q77 PolarHBondContact O-N 2.83Å; I74-Q77 WeakPolarHBondContact O-CB 3.42Å; I74-Q77 PolarHBondContact O-N 3.05Å; F75-Q77 VanDerWaalsContact C-N 3.28Å; F75-Q77 PolarHBondContact O-N 3.38Å; Q77-L79 VanDerWaalsContact C-N 3.27Å; Q77-L79 PolarHBondContact O-N 3.48Å; Q77-I80 WeakPolarHBondContact O-CB 3.32Å; Q77-I80 PolarHBondContact O-N 3.47Å; Q77-I80 VanDerWaalsContact O-N 3.15Å; Q77-S81 PolarHBondContact O-N 3.18Å; Q77-F102 HydrophobicContact CG-CZ 4.42Å; Q77-L142 HydrophobicContact CG-CD1 3.71Å; Q77-F146 HydrophobicContact CB-CZ 4.09Å; Q77-F146 HydrophobicContact CG-CZ 4.14Å
78	G	97.2	Very high	96.9	Very high	36 Å²	36	31.8 Å²	31.8	37%	0.371	19%	0.192	S	C	.	.	H	α-helix	trans	-59.8	-36	172.7	0	0	0	0	0	112.9	I74 F75 V76 S81 C82	I74-G78 PolarHBondContact O-N 3.49Å; F75-G78 WeakPolarHBondContact O-CA 3.47Å; F75-G78 PolarHBondContact O-N 2.93Å; V76-G78 VanDerWaalsContact C-N 3.32Å; V76-G78 PolarHBondContact O-N 3.3Å; G78-S81 WeakPolarHBondContact O-CB 3.44Å; G78-S81 PolarHBondContact O-N 2.83Å; G78-C82 PolarHBondContact O-N 2.94Å
79	L	97.1	Very high	96.7	Very high	7 Å²	7	25.8 Å²	25.8	4%	0.037	17%	0.166	C	C	.	.	H	α-helix	trans	-67.5	-38.6	173.6	-59.8	175.7	0	0	0	111.9	I36 F75 V76 Q77 S81 C82 L83 I114	I36-L79 HydrophobicContact CD1-CD1 3.73Å; F75-L79 HydrophobicContact CD2-CG 4.36Å; F75-L79 HydrophobicContact CE2-CD2 3.91Å; F75-L79 HydrophobicContact CE2-CG 4.16Å; F75-L79 PolarHBondContact O-N 2.89Å; F75-L79 VanDerWaalsContact O-N 3.1Å; V76-L79 WeakPolarHBondContact O-CB 3.12Å; V76-L79 PolarHBondContact O-N 3.1Å; Q77-L79 VanDerWaalsContact C-N 3.27Å; Q77-L79 PolarHBondContact O-N 3.48Å; L79-S81 VanDerWaalsContact C-N 3.32Å; L79-C82 WeakPolarHBondContact O-CB 3.32Å; L79-C82 PolarHBondContact O-N 3.48Å; L79-L83 PolarHBondContact O-N 3.14Å; L79-I114 HydrophobicContact CB-CD1 3.35Å; L79-I114 HydrophobicContact CD1-CD1 4.04Å; L79-I114 HydrophobicContact CG-CD1 4.35Å
80	I	97.7	Very high	96.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-41.2	172.8	-59.2	168.2	0	0	0	110.3	V76 Q77 C82 L83 L84 I114 V130 L142 F146	V76-I80 PolarHBondContact O-N 3.23Å; Q77-I80 WeakPolarHBondContact O-CB 3.32Å; Q77-I80 PolarHBondContact O-N 3.47Å; Q77-I80 VanDerWaalsContact O-N 3.15Å; I80-C82 VanDerWaalsContact C-N 3.27Å; I80-C82 PolarHBondContact O-N 3.21Å; I80-L83 WeakPolarHBondContact O-CB 3.03Å; I80-L83 PolarHBondContact O-N 3.13Å; I80-L84 HydrophobicContact CG2-CD1 4.07Å; I80-L84 HydrophobicContact CG2-CG 4.31Å; I80-L84 WeakPolarHBondContact O-CG 3.43Å; I80-L84 PolarHBondContact O-N 3.48Å; I80-I114 HydrophobicContact CG1-CD1 4.03Å; I80-I114 HydrophobicContact CG1-CG2 3.75Å; I80-V130 HydrophobicContact CD1-CB 4.31Å; I80-V130 HydrophobicContact CD1-CG2 4.08Å; I80-V130 HydrophobicContact CG2-CG1 4.02Å; I80-L142 HydrophobicContact CD1-CD1 3.88Å; I80-L142 HydrophobicContact CD1-CD2 3.69Å; I80-L142 HydrophobicContact CD1-CG 4.46Å; I80-F146 HydrophobicContact CB-CE1 4.13Å; I80-F146 HydrophobicContact CB-CE2 4.17Å; I80-F146 HydrophobicContact CB-CZ 3.83Å; I80-F146 HydrophobicContact CD1-CD2 4.48Å; I80-F146 HydrophobicContact CD1-CE2 3.63Å; I80-F146 HydrophobicContact CD1-CZ 3.91Å; I80-F146 HydrophobicContact CG1-CE2 4.49Å; I80-F146 HydrophobicContact CG1-CZ 4.47Å; I80-F146 HydrophobicContact CG2-CD1 3.87Å; I80-F146 HydrophobicContact CG2-CD2 3.84Å; I80-F146 HydrophobicContact CG2-CE1 3.74Å; I80-F146 HydrophobicContact CG2-CE2 3.72Å; I80-F146 HydrophobicContact CG2-CG 3.93Å; I80-F146 HydrophobicContact CG2-CZ 3.67Å
81	S	96.2	Very high	96.1	Very high	60 Å²	60	30.2 Å²	30.2	42%	0.42	19%	0.193	S	C	.	.	H	α-helix	trans	-59.9	-38.6	174.5	-173.7	0	0	0	0	111.9	Q77 G78 L79 G85	Q77-S81 PolarHBondContact O-N 3.18Å; G78-S81 WeakPolarHBondContact O-CB 3.44Å; G78-S81 PolarHBondContact O-N 2.83Å; L79-S81 VanDerWaalsContact C-N 3.32Å; S81-G85 WeakPolarHBondContact O-CA 3.4Å; S81-G85 PolarHBondContact O-N 3.18Å
82	C	95	Very high	95.7	Very high	35 Å²	35	32.1 Å²	32.1	24%	0.236	21%	0.214	C	C	.	.	H	α-helix	trans	-66.4	-46.8	173.4	177.2	0	0	0	0	111.3	G78 L79 I80 L84 G85 V86 Y167	G78-C82 PolarHBondContact O-N 2.94Å; L79-C82 WeakPolarHBondContact O-CB 3.32Å; L79-C82 PolarHBondContact O-N 3.48Å; I80-C82 VanDerWaalsContact C-N 3.27Å; I80-C82 PolarHBondContact O-N 3.21Å; C82-L84 VanDerWaalsContact C-N 3.32Å; C82-L84 PolarHBondContact O-N 3.35Å; C82-G85 PolarHBondContact O-N 3.5Å; C82-V86 VanDerWaalsContact O-CB 3.25Å; C82-V86 WeakPolarHBondContact O-CB 3.48Å; C82-V86 PolarHBondContact O-N 3.39Å; C82-Y167 PolarHBondContact SG-OH 2.81Å
83	L	96.2	Very high	95.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	22%	0.219	C	C	.	.	I	π-helix	trans	-55	-47.7	178.7	-176.6	55.3	0	0	0	111.8	I30 L32 L79 I80 H87 F88 I114 A116 I165	I30-L83 HydrophobicContact CB-CD1 4.29Å; I30-L83 HydrophobicContact CD1-CD1 4.02Å; I30-L83 HydrophobicContact CG1-CD1 3.7Å; I30-L83 HydrophobicContact CG2-CD1 3.81Å; I30-L83 HydrophobicContact CG2-CD2 4.1Å; I30-L83 HydrophobicContact CG2-CG 3.78Å; L32-L83 HydrophobicContact CB-CD1 3.95Å; L32-L83 HydrophobicContact CB-CD2 4.14Å; L32-L83 HydrophobicContact CB-CG 4.43Å; L32-L83 HydrophobicContact CD1-CB 4.26Å; L79-L83 PolarHBondContact O-N 3.14Å; I80-L83 WeakPolarHBondContact O-CB 3.03Å; I80-L83 PolarHBondContact O-N 3.13Å; L83-H87 HydrophobicContact CD1-CB 4.48Å; L83-H87 WeakPolarHBondContact O-CB 3.23Å; L83-H87 PolarHBondContact O-N 2.94Å; L83-F88 PolarHBondContact O-N 3.22Å; L83-F88 VanDerWaalsContact O-N 3.13Å; L83-I114 HydrophobicContact CD2-CB 4.41Å; L83-I114 HydrophobicContact CD2-CG2 3.67Å; L83-A116 HydrophobicContact CD2-CB 4.12Å; L83-I165 HydrophobicContact CD1-CD1 3.95Å
84	L	96.4	Very high	95.3	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	23%	0.232	C	C	.	.	I	π-helix	trans	-78.7	-42.5	-179	-59.8	-177.9	0	0	0	112.8	I80 C82 F88 P89 G90 C93 A116 F128 F146 V148	I80-L84 HydrophobicContact CG2-CD1 4.07Å; I80-L84 HydrophobicContact CG2-CG 4.31Å; I80-L84 WeakPolarHBondContact O-CG 3.43Å; I80-L84 PolarHBondContact O-N 3.48Å; C82-L84 VanDerWaalsContact C-N 3.32Å; C82-L84 PolarHBondContact O-N 3.35Å; L84-F88 WeakPolarHBondContact CA-O 3.39Å; L84-F88 WeakPolarHBondContact CD2-O 3.31Å; L84-F88 CarbonylContact O-C 3.43Å; L84-P89 VanDerWaalsContact O-CD 3.32Å; L84-P89 WeakPolarHBondContact O-CD 3.17Å; L84-G90 WeakPolarHBondContact O-CA 3.36Å; L84-G90 PolarHBondContact O-N 3.21Å; L84-C93 PolarHBondContact O-SG 3.31Å; L84-A116 HydrophobicContact CD2-CB 4.09Å; L84-F128 HydrophobicContact CD1-CB 4.4Å; L84-F128 HydrophobicContact CD1-CD2 4.34Å; L84-F128 HydrophobicContact CD1-CG 4.29Å; L84-F128 HydrophobicContact CD2-CD1 3.7Å; L84-F128 HydrophobicContact CD2-CD2 4.29Å; L84-F128 HydrophobicContact CD2-CE1 3.86Å; L84-F128 HydrophobicContact CD2-CE2 4.46Å; L84-F128 HydrophobicContact CD2-CG 3.92Å; L84-F128 HydrophobicContact CD2-CZ 4.25Å; L84-F146 HydrophobicContact CD1-CB 3.83Å; L84-F146 HydrophobicContact CD1-CD1 4.24Å; L84-F146 HydrophobicContact CD1-CG 4.24Å; L84-V148 HydrophobicContact CD1-CG1 3.97Å
85	G	94.8	Very high	95.3	Very high	24 Å²	24	33.7 Å²	33.7	25%	0.247	22%	0.223	C	C	.	.	I	π-helix	trans	-78.8	-24.2	-173.9	0	0	0	0	0	115.4	S81 C82 G90 T91	S81-G85 WeakPolarHBondContact O-CA 3.4Å; S81-G85 PolarHBondContact O-N 3.18Å; C82-G85 PolarHBondContact O-N 3.5Å; G85-G90 CarbonylContact O-C 3.05Å; G85-T91 WeakPolarHBondContact O-CA 3.25Å; G85-T91 PolarHBondContact O-N 3.28Å
86	V	93.4	Very high	95.2	Very high	84 Å²	84	38 Å²	38	51%	0.509	24%	0.243	S	C	.	.	I	π-helix	trans	-106.6	-45.1	-179.6	-179.9	0	0	0	0	111.3	C82	C82-V86 VanDerWaalsContact O-CB 3.25Å; C82-V86 WeakPolarHBondContact O-CB 3.48Å; C82-V86 PolarHBondContact O-N 3.39Å
87	H	93.9	Very high	95.2	Very high	63 Å²	63	39.8 Å²	39.8	29%	0.292	26%	0.258	S	S	.	.	I	π-helix	trans	-96.1	-69.8	-169.2	-62.3	-73	0	0	0	113.2	I30 L83 I165 Y167	I30-H87 HydrophobicContact CD1-CB 3.55Å; L83-H87 HydrophobicContact CD1-CB 4.48Å; L83-H87 WeakPolarHBondContact O-CB 3.23Å; L83-H87 PolarHBondContact O-N 2.94Å; H87-I165 HydrophobicContact CB-CD1 3.99Å; H87-I165 HydrophobicContact CB-CG1 4.49Å; H87-Y167 AromaticContact NE2-CZ 3.89Å; H87-Y167 PolarHBondContact NE2-OH 3.22Å
88	F	94.8	Very high	95.2	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.018	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-146	123.6	179.1	179.8	-102.2	0	0	0	110.6	I24 D28 I30 L83 L84 G90 V118 F128 L157 K158 P159	I24-F88 HydrophobicContact CB-CZ 4.47Å; I24-F88 HydrophobicContact CD1-CE1 4.04Å; I24-F88 HydrophobicContact CD1-CE2 4.48Å; I24-F88 HydrophobicContact CD1-CZ 3.63Å; I24-F88 HydrophobicContact CG1-CE1 4.44Å; I24-F88 HydrophobicContact CG1-CZ 3.8Å; D28-F88 HydrophobicContact CB-CE1 4.11Å; D28-F88 HydrophobicContact CB-CZ 4.28Å; I30-F88 HydrophobicContact CB-CB 4.33Å; I30-F88 HydrophobicContact CD1-CB 3.33Å; I30-F88 HydrophobicContact CG1-CB 4.43Å; I30-F88 HydrophobicContact CG2-CB 4.32Å; I30-F88 HydrophobicContact CG2-CD1 4.44Å; L83-F88 PolarHBondContact O-N 3.22Å; L83-F88 VanDerWaalsContact O-N 3.13Å; L84-F88 WeakPolarHBondContact CA-O 3.39Å; L84-F88 WeakPolarHBondContact CD2-O 3.31Å; L84-F88 CarbonylContact O-C 3.43Å; F88-G90 VanDerWaalsContact C-N 3.27Å; F88-G90 VanDerWaalsContact CA-N 3.34Å; F88-V118 HydrophobicContact CE1-CG2 4.15Å; F88-F128 HydrophobicContact CD1-CE1 4.11Å; F88-F128 HydrophobicContact CD1-CZ 4.41Å; F88-F128 HydrophobicContact CE1-CE1 4.05Å; F88-F128 HydrophobicContact CE1-CZ 4.21Å; F88-L157 HydrophobicContact CE2-CB 4.34Å; F88-K158 VanDerWaalsContact CE2-C 3.41Å; F88-P159 HydrophobicContact CD1-CG 4.18Å; F88-P159 HydrophobicContact CD2-CB 4.44Å; F88-P159 HydrophobicContact CD2-CG 4.4Å; F88-P159 HydrophobicContact CE1-CG 3.8Å; F88-P159 HydrophobicContact CE2-CG 4.05Å; F88-P159 VanDerWaalsContact CE2-N 3.34Å; F88-P159 HydrophobicContact CG-CB 4.42Å; F88-P159 HydrophobicContact CG-CG 4.45Å; F88-P159 HydrophobicContact CZ-CG 3.71Å
89	P	95	Very high	95.3	Very high	2 Å²	2	44 Å²	44	1%	0.013	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	cis	-73.9	-5.4	6.7	34.1	-41.9	0	0	0	115	L84 C93 V148 L150 Q154	L84-P89 VanDerWaalsContact O-CD 3.32Å; L84-P89 WeakPolarHBondContact O-CD 3.17Å; P89-C93 HydrophobicContact CG-CB 3.56Å; P89-V148 HydrophobicContact CG-CG2 4.44Å; P89-L150 HydrophobicContact CB-CD2 3.62Å; P89-L150 HydrophobicContact CG-CD2 3.41Å; P89-L150 VanDerWaalsContact CG-CD2 3.41Å; P89-Q154 HydrophobicContact CB-CB 4.34Å; P89-Q154 HydrophobicContact CB-CG 4.38Å; P89-Q154 PolarHBondContact O-NE2 2.74Å; P89-Q154 VanDerWaalsContact O-NE2 3.17Å
90	G	92.6	Very high	95.3	Very high	4 Å²	4	45.1 Å²	45.1	4%	0.041	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	-157.2	170.9	0	0	0	0	0	114.4	L84 G85 F88 G92 C93 Q154	L84-G90 WeakPolarHBondContact O-CA 3.36Å; L84-G90 PolarHBondContact O-N 3.21Å; G85-G90 CarbonylContact O-C 3.05Å; F88-G90 VanDerWaalsContact C-N 3.27Å; F88-G90 VanDerWaalsContact CA-N 3.34Å; G90-G92 PolarHBondContact O-N 2.94Å; G90-C93 PolarHBondContact O-N 3.03Å; G90-C93 PolarHBondContact O-SG 3.35Å; G90-C93 VanDerWaalsContact O-SG 3.39Å; G90-Q154 PolarHBondContact O-NE2 3.19Å
91	T	91.4	Very high	95.4	Very high	125 Å²	125	52.9 Å²	52.9	77%	0.767	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	130	-168.8	-64.8	0	0	0	0	112.3	G85 Q154	G85-T91 WeakPolarHBondContact O-CA 3.25Å; G85-T91 PolarHBondContact O-N 3.28Å; T91-Q154 PolarHBondContact O-NE2 2.87Å; T91-Q154 VanDerWaalsContact O-NE2 3.08Å
92	G	90.9	Very high	95.5	Very high	46 Å²	46	54.4 Å²	54.4	47%	0.474	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.5	-8.5	177.4	0	0	0	0	0	114.6	G90	G90-G92 PolarHBondContact O-N 2.94Å
93	C	91.8	Very high	95.6	Very high	18 Å²	18	56 Å²	56	12%	0.122	33%	0.33	C	S	.	.			trans	-72.9	147.4	168.7	78.1	0	0	0	0	110	L84 P89 G90 F149 L150 Q154	L84-C93 PolarHBondContact O-SG 3.31Å; P89-C93 HydrophobicContact CG-CB 3.56Å; G90-C93 PolarHBondContact O-N 3.03Å; G90-C93 PolarHBondContact O-SG 3.35Å; G90-C93 VanDerWaalsContact O-SG 3.39Å; C93-F149 VanDerWaalsContact CA-O 3.29Å; C93-F149 WeakPolarHBondContact CA-O 3.41Å; C93-L150 HydrophobicContact CB-CD2 4.2Å; C93-Q154 VanDerWaalsContact N-NE2 3.12Å
94	V	95.4	Very high	95.7	Very high	93 Å²	93	60.7 Å²	60.7	56%	0.564	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.3	-179.8	-178.9	0	0	0	0	109.1	H96 V148 F149	V94-H96 PolarHBondContact O-N 2.83Å; V94-V148 CarbonylContact O-C 3.56Å; V94-V148 WeakPolarHBondContact O-CA 3.34Å; V94-F149 PolarHBondContact N-O 2.98Å; V94-F149 VanDerWaalsContact N-O 3.13Å; V94-F149 PolarHBondContact O-N 2.69Å
95	V	96.5	Very high	95.8	Very high	56 Å²	56	61.8 Å²	61.8	34%	0.339	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	130.9	175	177.1	0	0	0	0	110	I98 F146 V148	V95-I98 HydrophobicContact CG1-CD1 3.91Å; V95-I98 HydrophobicContact CG1-CG1 3.65Å; V95-F146 HydrophobicContact CG1-CD1 4.5Å; V95-F146 HydrophobicContact CG2-CD1 4.37Å; V95-V148 HydrophobicContact CG2-CG1 4.32Å
96	H	97.2	Very high	96	Very high	105 Å²	105	60.8 Å²	60.8	49%	0.486	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-48	177.2	178.2	46.6	0	0	0	112.2	V94 L125 D147 F149	V94-H96 PolarHBondContact O-N 2.83Å; H96-L125 HydrophobicContact CB-CD1 4.07Å; H96-D147 HydrophobicContact CB-CB 4.13Å; H96-D147 PolarHBondContact N-O 3.45Å; H96-F149 HydrophobicContact CB-CD2 3.8Å; H96-F149 HydrophobicContact CB-CE2 3.78Å; H96-F149 AromaticContact CE1-CE2 3.97Å; H96-F149 AromaticContact CG-CE2 3.48Å; H96-F149 VanDerWaalsContact CG-CE2 3.48Å; H96-F149 AromaticContact ND1-CE2 3.39Å; H96-F149 WeakPolarHBondContact ND1-CE2 3.14Å
97	A	98	Very high	96.2	Very high	40 Å²	40	58.2 Å²	58.2	33%	0.331	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	149.7	-179.8	0	0	0	0	0	110.6	D147	A97-D147 HydrophobicContact CB-CB 4.02Å; A97-D147 PolarHBondContact N-O 3.34Å; A97-D147 PolarHBondContact O-N 2.88Å
98	I	98.4	Very high	96.4	Very high	75 Å²	75	56.4 Å²	56.4	39%	0.385	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.5	176.9	-58.1	173.9	0	0	0	107.6	V95 C100 F146	V95-I98 HydrophobicContact CG1-CD1 3.91Å; V95-I98 HydrophobicContact CG1-CG1 3.65Å; I98-C100 HydrophobicContact CG2-CB 4.44Å; I98-F146 HydrophobicContact CD1-CD1 4.08Å; I98-F146 HydrophobicContact CD1-CE1 3.49Å; I98-F146 VanDerWaalsContact CD1-CE1 3.49Å; I98-F146 HydrophobicContact CD1-CZ 3.85Å; I98-F146 HydrophobicContact CG1-CD1 3.8Å; I98-F146 HydrophobicContact CG1-CE1 3.69Å; I98-F146 HydrophobicContact CG1-CE2 4.49Å; I98-F146 HydrophobicContact CG1-CG 4.26Å; I98-F146 HydrophobicContact CG1-CZ 4.05Å; I98-F146 HydrophobicContact CG2-CD2 4.15Å; I98-F146 HydrophobicContact CG2-CE1 4.31Å; I98-F146 HydrophobicContact CG2-CE2 3.69Å; I98-F146 HydrophobicContact CG2-CZ 3.77Å
99	S	98.3	Very high	96.5	Very high	80 Å²	80	60.1 Å²	60.1	56%	0.559	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.5	109.8	169.7	-177.5	0	0	0	0	108.6	G144 C145	S99-G144 CarbonylContact O-C 3.5Å; S99-G144 WeakPolarHBondContact O-CA 3.47Å; S99-C145 PolarHBondContact N-O 2.88Å; S99-C145 PolarHBondContact O-N 3.34Å
100	C	98.4	Very high	96.6	Very high	31 Å²	31	61.5 Å²	61.5	21%	0.209	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	149.3	-174.2	-71.1	0	0	0	0	111.3	I98 L142 I143	I98-C100 HydrophobicContact CG2-CB 4.44Å; C100-L142 HydrophobicContact CB-CD1 4.21Å; C100-L142 HydrophobicContact CB-CD2 4.32Å; C100-L142 HydrophobicContact CB-CG 4.09Å; C100-I143 WeakPolarHBondContact CA-O 3.28Å
101	K	98.5	Very high	96.9	Very high	163 Å²	163	63 Å²	63	71%	0.709	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.8	154.6	168.3	-62.6	-179.9	-178.3	178.1	0	108.8	P103 L142 I143	K101-P103 WeakPolarHBondContact O-CD 3.29Å; K101-L142 VanDerWaalsContact O-CA 3.29Å; K101-L142 WeakPolarHBondContact O-CA 3.47Å; K101-I143 PolarHBondContact N-O 3.21Å; K101-I143 PolarHBondContact O-N 3.13Å
102	F	98.3	Very high	97.2	Very high	93 Å²	93	57 Å²	57	41%	0.408	32%	0.322	S	S	.	.			trans	-121.1	82.6	178.9	-58.8	-86.7	0	0	0	110.5	G73 Q77 I141 L142	G73-F102 VanDerWaalsContact O-CE1 3.31Å; G73-F102 WeakPolarHBondContact O-CE1 3.27Å; Q77-F102 HydrophobicContact CG-CZ 4.42Å; F102-I141 VanDerWaalsContact CA-O 3.24Å; F102-I141 WeakPolarHBondContact CA-O 3.4Å; F102-L142 HydrophobicContact CD1-CB 4.29Å; F102-L142 HydrophobicContact CD1-CD1 4.34Å; F102-L142 HydrophobicContact CD1-CG 4.49Å; F102-L142 HydrophobicContact CE1-CB 4.45Å; F102-L142 HydrophobicContact CE1-CD1 3.7Å; F102-L142 HydrophobicContact CE1-CG 4.29Å; F102-L142 HydrophobicContact CZ-CD1 4.27Å
103	P	98	Very high	97.5	Very high	69 Å²	69	56.5 Å²	56.5	45%	0.448	31%	0.305	S	S	.	.			trans	-66.7	-40.4	-172.4	-19.4	31.8	0	0	0	113.6	K101 N140 I141 I143	K101-P103 WeakPolarHBondContact O-CD 3.29Å; P103-N140 WeakPolarHBondContact CB-O 3.38Å; P103-N140 WeakPolarHBondContact CD-O 3.45Å; P103-N140 HydrophobicContact CG-CB 4.39Å; P103-I141 WeakPolarHBondContact CD-O 3.4Å; P103-I143 HydrophobicContact CG-CD1 4.01Å; P103-I143 HydrophobicContact CG-CG1 4.29Å
104	E	98.2	Very high	97.8	Very high	97 Å²	97	55.7 Å²	55.7	45%	0.453	30%	0.299	S	S	.	.	S	Bend	trans	-128.6	148.4	-177.5	-69.3	-74.1	154	0	0	110.9	A139 N140 I141	E104-A139 HydrophobicContact CB-CB 4.18Å; E104-A139 HydrophobicContact CG-CB 4.16Å; E104-N140 WeakPolarHBondContact CB-O 3.45Å; E104-N140 PolarHBondContact N-O 2.98Å; E104-N140 VanDerWaalsContact N-O 3.09Å; E104-I141 HydrophobicContact CB-CD1 4.17Å
105	P	98	Very high	97.9	Very high	25 Å²	25	54.3 Å²	54.3	16%	0.162	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-69.5	146.5	174.1	31.9	-35.5	0	0	0	109.9	Y66 V70 F107 R137 I141	Y66-P105 HydrophobicContact CD1-CB 4.06Å; Y66-P105 HydrophobicContact CD1-CG 3.85Å; Y66-P105 HydrophobicContact CE1-CB 4.03Å; Y66-P105 HydrophobicContact CE1-CG 3.93Å; V70-P105 HydrophobicContact CG1-CB 3.82Å; V70-P105 HydrophobicContact CG2-CB 4.19Å; P105-F107 HydrophobicContact CB-CE1 4.28Å; P105-F107 HydrophobicContact CB-CZ 4.31Å; P105-F107 HydrophobicContact CG-CE1 4.07Å; P105-F107 HydrophobicContact CG-CE2 4.07Å; P105-F107 HydrophobicContact CG-CZ 3.63Å; P105-R137 PolarHBondContact O-NH1 3.15Å; P105-R137 PolarHBondContact O-NH2 3.12Å; P105-I141 WeakPolarHBondContact O-CD1 3.31Å
106	L	98.5	Very high	98	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-96.2	128.2	160.4	178.7	70.3	0	0	0	107.8	I36 V70 V71 V76 E110 C112 E134 I141	I36-L106 HydrophobicContact CG1-CD2 3.93Å; V70-L106 CarbonylContact C-O 3.56Å; V70-L106 WeakPolarHBondContact CA-O 3.36Å; V71-L106 HydrophobicContact CB-CB 4.24Å; V71-L106 HydrophobicContact CB-CD2 4.08Å; V71-L106 HydrophobicContact CB-CG 4.23Å; V71-L106 HydrophobicContact CG1-CD2 4.21Å; V71-L106 HydrophobicContact CG2-CB 4.44Å; V71-L106 HydrophobicContact CG2-CD2 4.02Å; V71-L106 HydrophobicContact CG2-CG 3.98Å; V71-L106 PolarHBondContact N-O 2.84Å; V76-L106 HydrophobicContact CG2-CD2 4.09Å; L106-E110 HydrophobicContact CD1-CB 3.8Å; L106-C112 HydrophobicContact CD1-CB 4.15Å; L106-C112 HydrophobicContact CD2-CB 3.79Å; L106-E134 HydrophobicContact CD1-CB 4.16Å; L106-E134 HydrophobicContact CD1-CG 3.92Å; L106-I141 HydrophobicContact CB-CD1 4.15Å; L106-I141 HydrophobicContact CB-CG1 4.16Å; L106-I141 HydrophobicContact CB-CG2 3.68Å; L106-I141 HydrophobicContact CD1-CD1 4.49Å; L106-I141 HydrophobicContact CD1-CG1 4.29Å
107	F	98.4	Very high	98.1	Very high	29 Å²	29	48.9 Å²	48.9	13%	0.127	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-90.2	155	178.7	-59.7	-69.2	0	0	0	111.5	Y66 K68 C69 V70 P105 E110	Y66-F107 WeakPolarHBondContact O-CE1 3.26Å; K68-F107 HydrophobicContact CB-CB 4.47Å; K68-F107 HydrophobicContact CB-CD1 3.6Å; K68-F107 HydrophobicContact CB-CE1 4.05Å; K68-F107 HydrophobicContact CB-CG 4.18Å; K68-F107 HydrophobicContact CD-CB 4.44Å; K68-F107 HydrophobicContact CD-CD1 4.42Å; K68-F107 HydrophobicContact CD-CG 4.25Å; C69-F107 WeakPolarHBondContact O-CA 3.35Å; V70-F107 HydrophobicContact CG2-CD1 4.23Å; V70-F107 HydrophobicContact CG2-CE1 4.17Å; P105-F107 HydrophobicContact CB-CE1 4.28Å; P105-F107 HydrophobicContact CB-CZ 4.31Å; P105-F107 HydrophobicContact CG-CE1 4.07Å; P105-F107 HydrophobicContact CG-CE2 4.07Å; P105-F107 HydrophobicContact CG-CZ 3.63Å; F107-E110 HydrophobicContact CB-CG 3.95Å; F107-E110 WeakPolarHBondContact CD2-OE1 3.29Å; F107-E110 PolarHBondContact N-OE2 2.9Å; F107-E110 WeakPolarHBondContact O-CB 3.45Å; F107-E110 PolarHBondContact O-N 2.68Å
108	V	98.1	Very high	98.1	Very high	25 Å²	25	47 Å²	47	15%	0.152	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	141	173.4	-175	0	0	0	0	109.9	T38 V41 C69 V71 E110	T38-V108 WeakPolarHBondContact OG1-CG1 3.38Å; V41-V108 HydrophobicContact CG2-CG1 4.49Å; V41-V108 HydrophobicContact CG2-CG2 4.03Å; C69-V108 HydrophobicContact CB-CB 4.33Å; C69-V108 HydrophobicContact CB-CG2 3.55Å; C69-V108 PolarHBondContact O-N 2.87Å; C69-V108 VanDerWaalsContact O-N 3.08Å; V71-V108 HydrophobicContact CG2-CG2 4.36Å; V108-E110 VanDerWaalsContact C-N 3.27Å; V108-E110 PolarHBondContact O-N 2.84Å
109	D	97	Very high	98	Very high	83 Å²	83	45.4 Å²	45.4	44%	0.444	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	11.7	-175.4	-53.1	-46.7	0	0	0	115.4	K35 I36 T37 T38	K35-D109 WeakPolarHBondContact CE-O 3.47Å; I36-D109 VanDerWaalsContact O-CA 3.23Å; I36-D109 WeakPolarHBondContact O-CA 3.23Å; I36-D109 PolarHBondContact O-N 3.34Å; T37-D109 WeakPolarHBondContact CA-OD1 3.5Å; T38-D109 PolarHBondContact N-OD1 3.17Å
110	E	97.3	Very high	98	Very high	31 Å²	31	47.2 Å²	47.2	15%	0.145	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-85.6	160.6	168	-66.6	-171.8	143.1	0	0	112.7	I36 L106 F107 V108 E134 R137	I36-E110 PolarHBondContact N-O 3.38Å; L106-E110 HydrophobicContact CD1-CB 3.8Å; F107-E110 HydrophobicContact CB-CG 3.95Å; F107-E110 WeakPolarHBondContact CD2-OE1 3.29Å; F107-E110 PolarHBondContact N-OE2 2.9Å; F107-E110 WeakPolarHBondContact O-CB 3.45Å; F107-E110 PolarHBondContact O-N 2.68Å; V108-E110 VanDerWaalsContact C-N 3.27Å; V108-E110 PolarHBondContact O-N 2.84Å; E110-E134 HydrophobicContact CB-CG 3.71Å; E110-E134 HydrophobicContact CG-CG 4.09Å; E110-E134 WeakPolarHBondContact OE2-CG 3.45Å; E110-R137 IonicContact OE1-CZ 3.84Å; E110-R137 IonicContact OE1-NE 3.08Å; E110-R137 PolarHBondContact OE1-NE 2.76Å; E110-R137 VanDerWaalsContact OE1-NE 3.08Å; E110-R137 IonicContact OE1-NH2 3.79Å; E110-R137 IonicContact OE2-CZ 3.56Å; E110-R137 IonicContact OE2-NE 3.47Å; E110-R137 PolarHBondContact OE2-NE 2.78Å; E110-R137 IonicContact OE2-NH2 2.79Å; E110-R137 PolarHBondContact OE2-NH2 2.9Å
111	T	97.7	Very high	97.9	Very high	34 Å²	34	47.7 Å²	47.7	21%	0.209	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	119.6	177.2	-56	0	0	0	0	110.2	I33 E134 C135	I33-T111 HydrophobicContact CG2-CG2 3.59Å; T111-E134 WeakPolarHBondContact O-CA 3.38Å; T111-C135 HydrophobicContact CG2-CB 4.39Å; T111-C135 PolarHBondContact O-N 2.88Å
112	C	97.7	Very high	97.8	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.007	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131	177.9	-174.5	0	0	0	0	110.4	I33 R34 L106 Y133	I33-C112 WeakPolarHBondContact CA-O 3.5Å; R34-C112 PolarHBondContact N-O 3.4Å; R34-C112 PolarHBondContact O-N 2.94Å; L106-C112 HydrophobicContact CD1-CB 4.15Å; L106-C112 HydrophobicContact CD2-CB 3.79Å; C112-Y133 CarbonylContact C-O 3.6Å; C112-Y133 WeakPolarHBondContact CA-O 3.4Å
113	R	97.9	Very high	97.6	Very high	35 Å²	35	46.4 Å²	46.4	13%	0.132	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.1	167.2	177	165.5	165.7	101.2	1.1	109.9	S31 L32 I33 E115 A132 Y133 E164	S31-R113 PolarHBondContact OG-NH2 3.24Å; L32-R113 CarbonylContact O-C 3.41Å; L32-R113 VanDerWaalsContact O-CA 3.31Å; L32-R113 WeakPolarHBondContact O-CA 3.41Å; I33-R113 HydrophobicContact CG1-CB 4.05Å; I33-R113 HydrophobicContact CG1-CG 3.86Å; R113-E115 HydrophobicContact CG-CG 4.41Å; R113-E115 IonicContact CZ-OE1 3.35Å; R113-E115 IonicContact NE-OE1 3.86Å; R113-E115 PolarHBondContact NE-OE1 3.38Å; R113-E115 IonicContact NH2-OE1 3.91Å; R113-E115 PolarHBondContact NH2-OE1 2.85Å; R113-A132 CarbonylContact O-C 3.5Å; R113-A132 VanDerWaalsContact O-CA 3.24Å; R113-A132 WeakPolarHBondContact O-CA 3.24Å; R113-Y133 HydrophobicContact CB-CD2 4.25Å; R113-Y133 HydrophobicContact CB-CE1 4.16Å; R113-Y133 HydrophobicContact CB-CE2 3.89Å; R113-Y133 WeakPolarHBondContact CD-OH 3.47Å; R113-Y133 HydrophobicContact CG-CE1 3.88Å; R113-Y133 HydrophobicContact CG-CE2 4.2Å; R113-Y133 PolarHBondContact N-O 2.74Å; R113-Y133 PolarHBondContact NE-OH 2.77Å; R113-Y133 PolarHBondContact O-N 3.21Å; R113-E164 IonicContact CZ-OE2 3.33Å; R113-E164 VanDerWaalsContact NH1-CD 3.25Å; R113-E164 IonicContact NH1-OE2 3.04Å; R113-E164 PolarHBondContact NH1-OE2 3.15Å; R113-E164 IonicContact NH2-OE2 2.62Å
114	I	98.2	Very high	97.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.8	177	-66.2	165.9	0	0	0	107.8	S31 L32 V76 L79 I80 L83 N131 A132	S31-I114 CarbonylContact C-O 3.59Å; S31-I114 WeakPolarHBondContact CA-O 3.24Å; S31-I114 VanDerWaalsContact CB-O 3.23Å; S31-I114 WeakPolarHBondContact CB-O 3.44Å; L32-I114 HydrophobicContact CB-CB 4.44Å; L32-I114 HydrophobicContact CD2-CD1 4.47Å; L32-I114 PolarHBondContact N-O 2.81Å; L32-I114 PolarHBondContact O-N 3.5Å; V76-I114 HydrophobicContact CG1-CD1 4.38Å; L79-I114 HydrophobicContact CB-CD1 3.35Å; L79-I114 HydrophobicContact CD1-CD1 4.04Å; L79-I114 HydrophobicContact CG-CD1 4.35Å; I80-I114 HydrophobicContact CG1-CD1 4.03Å; I80-I114 HydrophobicContact CG1-CG2 3.75Å; L83-I114 HydrophobicContact CD2-CB 4.41Å; L83-I114 HydrophobicContact CD2-CG2 3.67Å; I114-N131 CarbonylContact C-O 3.56Å; I114-N131 WeakPolarHBondContact CA-O 3.3Å; I114-A132 HydrophobicContact CG1-CB 3.75Å
115	E	97.9	Very high	97.4	Very high	65 Å²	65	46.5 Å²	46.5	30%	0.304	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.6	172.6	-58.5	-172.2	149.3	0	0	108.8	R113 V130 N131 Y133	R113-E115 HydrophobicContact CG-CG 4.41Å; R113-E115 IonicContact CZ-OE1 3.35Å; R113-E115 IonicContact NE-OE1 3.86Å; R113-E115 PolarHBondContact NE-OE1 3.38Å; R113-E115 IonicContact NH2-OE1 3.91Å; R113-E115 PolarHBondContact NH2-OE1 2.85Å; E115-V130 CarbonylContact O-C 3.5Å; E115-V130 VanDerWaalsContact O-CA 3.26Å; E115-V130 WeakPolarHBondContact O-CA 3.4Å; E115-N131 PolarHBondContact N-O 3.14Å; E115-N131 PolarHBondContact O-N 3.17Å; E115-Y133 HydrophobicContact CG-CE1 4.16Å
116	A	98.2	Very high	97.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.1	176.2	0	0	0	0	0	109.2	R29 I30 L83 L84 F128 D129 V130	R29-A116 CarbonylContact C-O 3.44Å; R29-A116 VanDerWaalsContact CA-O 3.28Å; R29-A116 WeakPolarHBondContact CA-O 3.29Å; I30-A116 HydrophobicContact CG2-CB 4.11Å; I30-A116 PolarHBondContact N-O 2.85Å; I30-A116 PolarHBondContact O-N 3.17Å; L83-A116 HydrophobicContact CD2-CB 4.12Å; L84-A116 HydrophobicContact CD2-CB 4.09Å; A116-F128 HydrophobicContact CB-CD1 4.11Å; A116-D129 CarbonylContact C-O 3.59Å; A116-D129 WeakPolarHBondContact CA-O 3.06Å; A116-V130 HydrophobicContact CB-CG1 3.91Å
117	V	98.2	Very high	97.3	Very high	47 Å²	47	45.9 Å²	45.9	29%	0.285	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.4	-179.8	-176.7	0	0	0	0	109.7	D28 R29 S119 F128 D129	D28-V117 CarbonylContact O-C 3.46Å; D28-V117 WeakPolarHBondContact O-CA 3.45Å; R29-V117 HydrophobicContact CB-CG2 4.07Å; V117-S119 PolarHBondContact O-N 3Å; V117-F128 CarbonylContact O-C 3.6Å; V117-F128 VanDerWaalsContact O-CA 3.27Å; V117-F128 WeakPolarHBondContact O-CA 3.23Å; V117-D129 PolarHBondContact N-O 2.76Å; V117-D129 PolarHBondContact O-N 3.14Å
118	V	98	Very high	97.3	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	110	174.1	-178.5	0	0	0	0	109	I24 S25 I26 G27 D28 F88 L121 F128	I24-V118 HydrophobicContact CD1-CG2 4.02Å; I24-V118 HydrophobicContact CG1-CG2 4.13Å; S25-V118 WeakPolarHBondContact O-CB 3.33Å; I26-V118 WeakPolarHBondContact CA-O 3.49Å; G27-V118 PolarHBondContact N-O 2.78Å; D28-V118 HydrophobicContact CB-CB 4.33Å; D28-V118 HydrophobicContact CB-CG2 3.84Å; D28-V118 PolarHBondContact O-N 3.01Å; F88-V118 HydrophobicContact CE1-CG2 4.15Å; V118-L121 HydrophobicContact CG1-CD1 4.3Å; V118-L121 HydrophobicContact CG1-CD2 3.88Å; V118-L121 HydrophobicContact CG1-CG 3.86Å; V118-F128 HydrophobicContact CG2-CD1 3.99Å; V118-F128 HydrophobicContact CG2-CE1 3.39Å; V118-F128 HydrophobicContact CG2-CE2 4.42Å; V118-F128 HydrophobicContact CG2-CZ 3.64Å
119	S	98.2	Very high	97.4	Very high	40 Å²	40	47.3 Å²	47.3	28%	0.28	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-24.2	-179.5	62.1	0	0	0	0	112.6	V117 T127 D129	V117-S119 PolarHBondContact O-N 3Å; S119-T127 PolarHBondContact N-O 3.19Å; S119-T127 PolarHBondContact OG-O 3.15Å; S119-D129 VanDerWaalsContact CB-OD1 3.32Å; S119-D129 WeakPolarHBondContact CB-OD1 3.45Å; S119-D129 WeakPolarHBondContact CB-OD2 3.24Å; S119-D129 VanDerWaalsContact OG-CG 3.25Å; S119-D129 PolarHBondContact OG-OD1 3.09Å
120	K	97.8	Very high	97.4	Very high	118 Å²	118	43.6 Å²	43.6	51%	0.513	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	144.4	-179.2	-167.4	177.8	-180	176.4	0	112.5	A126 T127	K120-A126 WeakPolarHBondContact O-CA 3.31Å; K120-T127 PolarHBondContact N-O 3.25Å; K120-T127 PolarHBondContact O-N 2.81Å
121	L	96.2	Very high	97.5	Very high	42 Å²	42	44.2 Å²	44.2	22%	0.22	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.2	172.1	-67.4	171.3	0	0	0	110.3	I24 I26 V118 A126	I24-L121 HydrophobicContact CD1-CD2 4.4Å; I24-L121 HydrophobicContact CG1-CD2 4.36Å; I24-L121 HydrophobicContact CG2-CD1 4.22Å; I24-L121 HydrophobicContact CG2-CD2 4.19Å; I24-L121 WeakPolarHBondContact O-CD1 3.44Å; I26-L121 HydrophobicContact CG1-CD1 4.38Å; I26-L121 HydrophobicContact CG1-CG 4.43Å; V118-L121 HydrophobicContact CG1-CD1 4.3Å; V118-L121 HydrophobicContact CG1-CD2 3.88Å; V118-L121 HydrophobicContact CG1-CG 3.86Å; L121-A126 HydrophobicContact CD2-CB 3.63Å
122	R	95.3	Very high	97.5	Very high	188 Å²	188	42.6 Å²	42.6	71%	0.709	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.3	96.9	176.2	-172.9	-177.5	179.5	-175.7	1.6	110.6	R124 L125	R122-R124 PolarHBondContact O-N 2.83Å; R122-R124 VanDerWaalsContact O-N 3.15Å; R122-L125 PolarHBondContact N-O 2.77Å; R122-L125 WeakPolarHBondContact O-CB 3.43Å; R122-L125 PolarHBondContact O-N 2.72Å
123	G	93.8	Very high	97.5	Very high	41 Å²	41	44.6 Å²	44.6	42%	0.423	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	-113.5	-176	0	0	0	0	0	110.5
124	R	95.2	Very high	97.5	Very high	130 Å²	130	43.1 Å²	43.1	49%	0.491	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	2.5	174.3	-65.4	-167.5	-58.4	119.9	-5	113.6	R122 F149 L150 L155	R122-R124 PolarHBondContact O-N 2.83Å; R122-R124 VanDerWaalsContact O-N 3.15Å; R124-F149 WeakPolarHBondContact O-CA 3.33Å; R124-L150 WeakPolarHBondContact CD-O 3.39Å; R124-L150 PolarHBondContact NH1-O 2.78Å; R124-L150 PolarHBondContact O-N 3.08Å; R124-L155 HydrophobicContact CG-CD1 3.99Å
125	L	97	Very high	97.4	Very high	37 Å²	37	45.6 Å²	45.6	19%	0.194	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.7	175.7	-172.4	67	0	0	0	109.1	H96 R122 D147 F149	H96-L125 HydrophobicContact CB-CD1 4.07Å; R122-L125 PolarHBondContact N-O 2.77Å; R122-L125 WeakPolarHBondContact O-CB 3.43Å; R122-L125 PolarHBondContact O-N 2.72Å; L125-D147 HydrophobicContact CD1-CB 4.13Å; L125-F149 HydrophobicContact CB-CD1 4.42Å; L125-F149 HydrophobicContact CB-CE1 4.22Å; L125-F149 HydrophobicContact CD1-CD1 4.05Å; L125-F149 HydrophobicContact CD1-CE1 3.93Å; L125-F149 HydrophobicContact CD1-CG 4.38Å; L125-F149 HydrophobicContact CD1-CZ 4.18Å
126	A	97.4	Very high	97.3	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.5	171.9	0	0	0	0	0	109.8	K120 L121 F128 D147 V148 L150	K120-A126 WeakPolarHBondContact O-CA 3.31Å; L121-A126 HydrophobicContact CD2-CB 3.63Å; A126-F128 HydrophobicContact CB-CD2 4.42Å; A126-F128 HydrophobicContact CB-CE2 3.82Å; A126-D147 CarbonylContact O-C 3.59Å; A126-D147 WeakPolarHBondContact O-CA 3.43Å; A126-V148 HydrophobicContact CB-CG2 4.14Å; A126-V148 PolarHBondContact N-O 3.48Å; A126-V148 PolarHBondContact O-N 3.01Å; A126-L150 HydrophobicContact CB-CD1 3.77Å; A126-L150 HydrophobicContact CB-CD2 4.47Å; A126-L150 HydrophobicContact CB-CG 4.12Å
127	T	98.4	Very high	97.2	Very high	17 Å²	17	55 Å²	55	10%	0.104	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	129.6	170.2	-52.8	0	0	0	0	108.2	S119 K120 C145 D147	S119-T127 PolarHBondContact N-O 3.19Å; S119-T127 PolarHBondContact OG-O 3.15Å; K120-T127 PolarHBondContact N-O 3.25Å; K120-T127 PolarHBondContact O-N 2.81Å; T127-C145 HydrophobicContact CG2-CB 3.89Å; T127-D147 VanDerWaalsContact CB-OD1 3.25Å; T127-D147 WeakPolarHBondContact CB-OD1 3.46Å; T127-D147 VanDerWaalsContact CG2-OD1 3.25Å; T127-D147 WeakPolarHBondContact CG2-OD1 3.36Å; T127-D147 PolarHBondContact OG1-OD1 2.88Å
128	F	98.5	Very high	97	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.4	171.6	-70.8	-101.3	0	0	0	108.6	I24 L84 F88 A116 V117 V118 A126 V130 C145 F146 V148	I24-F128 HydrophobicContact CD1-CZ 4.36Å; L84-F128 HydrophobicContact CD1-CB 4.4Å; L84-F128 HydrophobicContact CD1-CD2 4.34Å; L84-F128 HydrophobicContact CD1-CG 4.29Å; L84-F128 HydrophobicContact CD2-CD1 3.7Å; L84-F128 HydrophobicContact CD2-CD2 4.29Å; L84-F128 HydrophobicContact CD2-CE1 3.86Å; L84-F128 HydrophobicContact CD2-CE2 4.46Å; L84-F128 HydrophobicContact CD2-CG 3.92Å; L84-F128 HydrophobicContact CD2-CZ 4.25Å; F88-F128 HydrophobicContact CD1-CE1 4.11Å; F88-F128 HydrophobicContact CD1-CZ 4.41Å; F88-F128 HydrophobicContact CE1-CE1 4.05Å; F88-F128 HydrophobicContact CE1-CZ 4.21Å; A116-F128 HydrophobicContact CB-CD1 4.11Å; V117-F128 CarbonylContact O-C 3.6Å; V117-F128 VanDerWaalsContact O-CA 3.27Å; V117-F128 WeakPolarHBondContact O-CA 3.23Å; V118-F128 HydrophobicContact CG2-CD1 3.99Å; V118-F128 HydrophobicContact CG2-CE1 3.39Å; V118-F128 HydrophobicContact CG2-CE2 4.42Å; V118-F128 HydrophobicContact CG2-CZ 3.64Å; A126-F128 HydrophobicContact CB-CD2 4.42Å; A126-F128 HydrophobicContact CB-CE2 3.82Å; F128-V130 HydrophobicContact CB-CG1 4.32Å; F128-C145 CarbonylContact O-C 3.53Å; F128-C145 WeakPolarHBondContact O-CA 3.26Å; F128-C145 WeakPolarHBondContact O-CB 3.48Å; F128-F146 PolarHBondContact N-O 3.25Å; F128-F146 PolarHBondContact O-N 3.3Å; F128-V148 HydrophobicContact CD2-CG2 3.78Å; F128-V148 HydrophobicContact CE2-CG2 3.44Å; F128-V148 VanDerWaalsContact CE2-CG2 3.44Å
129	D	98.7	Very high	97	Very high	83 Å²	83	59.1 Å²	59.1	44%	0.444	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	130.9	164.1	-67.8	-6.5	0	0	0	107.5	A116 V117 S119	A116-D129 CarbonylContact C-O 3.59Å; A116-D129 WeakPolarHBondContact CA-O 3.06Å; V117-D129 PolarHBondContact N-O 2.76Å; V117-D129 PolarHBondContact O-N 3.14Å; S119-D129 VanDerWaalsContact CB-OD1 3.32Å; S119-D129 WeakPolarHBondContact CB-OD1 3.45Å; S119-D129 WeakPolarHBondContact CB-OD2 3.24Å; S119-D129 VanDerWaalsContact OG-CG 3.25Å; S119-D129 PolarHBondContact OG-OD1 3.09Å
130	V	98.6	Very high	96.9	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.03	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.9	-174.3	-62.7	0	0	0	0	111.1	I80 E115 A116 F128 L142 G144 F146	I80-V130 HydrophobicContact CD1-CB 4.31Å; I80-V130 HydrophobicContact CD1-CG2 4.08Å; I80-V130 HydrophobicContact CG2-CG1 4.02Å; E115-V130 CarbonylContact O-C 3.5Å; E115-V130 VanDerWaalsContact O-CA 3.26Å; E115-V130 WeakPolarHBondContact O-CA 3.4Å; A116-V130 HydrophobicContact CB-CG1 3.91Å; F128-V130 HydrophobicContact CB-CG1 4.32Å; V130-L142 HydrophobicContact CG2-CD2 3.75Å; V130-G144 WeakPolarHBondContact CG2-O 3.41Å; V130-G144 PolarHBondContact N-O 2.79Å; V130-G144 PolarHBondContact O-N 3.04Å; V130-F146 HydrophobicContact CG1-CD2 4.15Å; V130-F146 HydrophobicContact CG2-CD2 3.73Å; V130-F146 HydrophobicContact CG2-CE2 3.99Å
131	N	98.3	Very high	97	Very high	45 Å²	45	54.9 Å²	54.9	24%	0.241	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.9	169.4	-170.9	25.5	0	0	0	109.2	I114 E115 N140 L142 I143	I114-N131 CarbonylContact C-O 3.56Å; I114-N131 WeakPolarHBondContact CA-O 3.3Å; E115-N131 PolarHBondContact N-O 3.14Å; E115-N131 PolarHBondContact O-N 3.17Å; N131-N140 PolarHBondContact ND2-OD1 3.42Å; N131-L142 CarbonylContact C-O 3.52Å; N131-L142 WeakPolarHBondContact CA-O 3.34Å; N131-L142 PolarHBondContact OD1-O 2.9Å; N131-L142 VanDerWaalsContact OD1-O 3.14Å; N131-I143 WeakPolarHBondContact OD1-CG1 3.44Å
132	A	98.5	Very high	97.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.2	169.8	0	0	0	0	0	108.9	V76 R113 I114 I141 L142	V76-A132 HydrophobicContact CG1-CB 3.79Å; R113-A132 CarbonylContact O-C 3.5Å; R113-A132 VanDerWaalsContact O-CA 3.24Å; R113-A132 WeakPolarHBondContact O-CA 3.24Å; I114-A132 HydrophobicContact CG1-CB 3.75Å; A132-I141 HydrophobicContact CB-CB 4.47Å; A132-I141 WeakPolarHBondContact O-CA 3.33Å; A132-I141 WeakPolarHBondContact O-CB 3.23Å; A132-I141 PolarHBondContact O-N 2.87Å; A132-L142 HydrophobicContact CB-CB 3.87Å; A132-L142 PolarHBondContact N-O 3.5Å; A132-L142 PolarHBondContact O-N 2.83Å; A132-L142 VanDerWaalsContact O-N 3.15Å
133	Y	97.9	Very high	97.2	Very high	43 Å²	43	47.5 Å²	47.5	17%	0.169	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	156.4	177.2	58.8	-88	0	0	0	111.8	C112 R113 E115 A139	C112-Y133 CarbonylContact C-O 3.6Å; C112-Y133 WeakPolarHBondContact CA-O 3.4Å; R113-Y133 HydrophobicContact CB-CD2 4.25Å; R113-Y133 HydrophobicContact CB-CE1 4.16Å; R113-Y133 HydrophobicContact CB-CE2 3.89Å; R113-Y133 WeakPolarHBondContact CD-OH 3.47Å; R113-Y133 HydrophobicContact CG-CE1 3.88Å; R113-Y133 HydrophobicContact CG-CE2 4.2Å; R113-Y133 PolarHBondContact N-O 2.74Å; R113-Y133 PolarHBondContact NE-OH 2.77Å; R113-Y133 PolarHBondContact O-N 3.21Å; E115-Y133 HydrophobicContact CG-CE1 4.16Å; Y133-A139 CarbonylContact C-O 3.56Å; Y133-A139 WeakPolarHBondContact CA-O 3.49Å; Y133-A139 WeakPolarHBondContact CB-O 3.5Å
134	E	98	Very high	97.5	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.019	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	132.4	168.5	-163	-68.7	129	0	0	109.5	L106 E110 T111 E136 R137 N138 A139 I141	L106-E134 HydrophobicContact CD1-CB 4.16Å; L106-E134 HydrophobicContact CD1-CG 3.92Å; E110-E134 HydrophobicContact CB-CG 3.71Å; E110-E134 HydrophobicContact CG-CG 4.09Å; E110-E134 WeakPolarHBondContact OE2-CG 3.45Å; T111-E134 WeakPolarHBondContact O-CA 3.38Å; E134-E136 VanDerWaalsContact CD-N 3.33Å; E134-E136 PolarHBondContact OE1-N 3.2Å; E134-E136 WeakPolarHBondContact OE2-CA 3.4Å; E134-E136 PolarHBondContact OE2-N 3.03Å; E134-R137 HydrophobicContact CB-CG 4.17Å; E134-R137 HydrophobicContact CG-CG 4.4Å; E134-R137 WeakPolarHBondContact OE2-CG 3.43Å; E134-R137 PolarHBondContact OE2-N 2.62Å; E134-R137 IonicContact OE2-NE 3.77Å; E134-N138 WeakPolarHBondContact O-CA 3.37Å; E134-N138 PolarHBondContact O-N 3.26Å; E134-A139 PolarHBondContact N-O 3.35Å; E134-I141 HydrophobicContact CB-CD1 4.19Å; E134-I141 HydrophobicContact CB-CG1 4.38Å
135	C	96.1	Very high	97.6	Very high	52 Å²	52	42 Å²	42	35%	0.351	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-36.9	-167.2	-68.7	0	0	0	0	114.8	T111	T111-C135 HydrophobicContact CG2-CB 4.39Å; T111-C135 PolarHBondContact O-N 2.88Å
136	E	95.9	Very high	97.7	Very high	179 Å²	179	40.2 Å²	40.2	84%	0.836	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-45.9	-173.3	-66.9	-174.2	-176.3	0	0	112.4	E134	E134-E136 VanDerWaalsContact CD-N 3.33Å; E134-E136 PolarHBondContact OE1-N 3.2Å; E134-E136 WeakPolarHBondContact OE2-CA 3.4Å; E134-E136 PolarHBondContact OE2-N 3.03Å
137	R	94.8	Very high	97.7	Very high	84 Å²	84	41.9 Å²	41.9	32%	0.317	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-5.5	-179.1	80.5	-164.3	152.9	91.4	3.2	113.4	P105 E110 E134 A139 I141	P105-R137 PolarHBondContact O-NH1 3.15Å; P105-R137 PolarHBondContact O-NH2 3.12Å; E110-R137 IonicContact OE1-CZ 3.84Å; E110-R137 IonicContact OE1-NE 3.08Å; E110-R137 PolarHBondContact OE1-NE 2.76Å; E110-R137 VanDerWaalsContact OE1-NE 3.08Å; E110-R137 IonicContact OE1-NH2 3.79Å; E110-R137 IonicContact OE2-CZ 3.56Å; E110-R137 IonicContact OE2-NE 3.47Å; E110-R137 PolarHBondContact OE2-NE 2.78Å; E110-R137 IonicContact OE2-NH2 2.79Å; E110-R137 PolarHBondContact OE2-NH2 2.9Å; E134-R137 HydrophobicContact CB-CG 4.17Å; E134-R137 HydrophobicContact CG-CG 4.4Å; E134-R137 WeakPolarHBondContact OE2-CG 3.43Å; E134-R137 PolarHBondContact OE2-N 2.62Å; E134-R137 IonicContact OE2-NE 3.77Å; R137-A139 VanDerWaalsContact C-N 3.29Å; R137-A139 HydrophobicContact CG-CB 3.64Å; R137-A139 PolarHBondContact O-N 2.78Å; R137-I141 VanDerWaalsContact NH2-CD1 3.27Å
138	N	94.6	Very high	97.7	Very high	119 Å²	119	41 Å²	41	64%	0.636	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	43	179	-168.3	41.5	0	0	0	113.2	E134	E134-N138 WeakPolarHBondContact O-CA 3.37Å; E134-N138 PolarHBondContact O-N 3.26Å
139	A	97.1	Very high	97.6	Very high	14 Å²	14	44.9 Å²	44.9	12%	0.116	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.8	-178.7	0	0	0	0	0	111.9	E104 Y133 E134 R137 I141	E104-A139 HydrophobicContact CB-CB 4.18Å; E104-A139 HydrophobicContact CG-CB 4.16Å; Y133-A139 CarbonylContact C-O 3.56Å; Y133-A139 WeakPolarHBondContact CA-O 3.49Å; Y133-A139 WeakPolarHBondContact CB-O 3.5Å; E134-A139 PolarHBondContact N-O 3.35Å; R137-A139 VanDerWaalsContact C-N 3.29Å; R137-A139 HydrophobicContact CG-CB 3.64Å; R137-A139 PolarHBondContact O-N 2.78Å; A139-I141 HydrophobicContact CB-CD1 4.41Å; A139-I141 WeakPolarHBondContact O-CD1 3.01Å; A139-I141 PolarHBondContact O-N 2.95Å
140	N	97.8	Very high	97.5	Very high	65 Å²	65	41 Å²	41	35%	0.348	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	106.8	179.7	-70.2	-37.6	0	0	0	111.4	P103 E104 N131 I143	P103-N140 WeakPolarHBondContact CB-O 3.38Å; P103-N140 WeakPolarHBondContact CD-O 3.45Å; P103-N140 HydrophobicContact CG-CB 4.39Å; E104-N140 WeakPolarHBondContact CB-O 3.45Å; E104-N140 PolarHBondContact N-O 2.98Å; E104-N140 VanDerWaalsContact N-O 3.09Å; N131-N140 PolarHBondContact ND2-OD1 3.42Å; N140-I143 HydrophobicContact CB-CD1 3.95Å; N140-I143 HydrophobicContact CB-CG1 4.24Å
141	I	98.5	Very high	97.3	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-41.8	-177.2	-52.5	-48.4	0	0	0	111.5	V76 F102 P103 E104 P105 L106 A132 E134 R137 A139	V76-I141 HydrophobicContact CG2-CG2 4.24Å; F102-I141 VanDerWaalsContact CA-O 3.24Å; F102-I141 WeakPolarHBondContact CA-O 3.4Å; P103-I141 WeakPolarHBondContact CD-O 3.4Å; E104-I141 HydrophobicContact CB-CD1 4.17Å; P105-I141 WeakPolarHBondContact O-CD1 3.31Å; L106-I141 HydrophobicContact CB-CD1 4.15Å; L106-I141 HydrophobicContact CB-CG1 4.16Å; L106-I141 HydrophobicContact CB-CG2 3.68Å; L106-I141 HydrophobicContact CD1-CD1 4.49Å; L106-I141 HydrophobicContact CD1-CG1 4.29Å; A132-I141 HydrophobicContact CB-CB 4.47Å; A132-I141 WeakPolarHBondContact O-CA 3.33Å; A132-I141 WeakPolarHBondContact O-CB 3.23Å; A132-I141 PolarHBondContact O-N 2.87Å; E134-I141 HydrophobicContact CB-CD1 4.19Å; E134-I141 HydrophobicContact CB-CG1 4.38Å; R137-I141 VanDerWaalsContact NH2-CD1 3.27Å; A139-I141 HydrophobicContact CB-CD1 4.41Å; A139-I141 WeakPolarHBondContact O-CD1 3.01Å; A139-I141 PolarHBondContact O-N 2.95Å
142	L	98.6	Very high	96.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	130.1	-178.9	178.3	158.9	0	0	0	109.4	V76 Q77 I80 C100 K101 F102 V130 N131 A132	V76-L142 HydrophobicContact CB-CD1 4.48Å; V76-L142 HydrophobicContact CG1-CB 4.28Å; V76-L142 HydrophobicContact CG1-CD1 4.16Å; Q77-L142 HydrophobicContact CG-CD1 3.71Å; I80-L142 HydrophobicContact CD1-CD1 3.88Å; I80-L142 HydrophobicContact CD1-CD2 3.69Å; I80-L142 HydrophobicContact CD1-CG 4.46Å; C100-L142 HydrophobicContact CB-CD1 4.21Å; C100-L142 HydrophobicContact CB-CD2 4.32Å; C100-L142 HydrophobicContact CB-CG 4.09Å; K101-L142 VanDerWaalsContact O-CA 3.29Å; K101-L142 WeakPolarHBondContact O-CA 3.47Å; F102-L142 HydrophobicContact CD1-CB 4.29Å; F102-L142 HydrophobicContact CD1-CD1 4.34Å; F102-L142 HydrophobicContact CD1-CG 4.49Å; F102-L142 HydrophobicContact CE1-CB 4.45Å; F102-L142 HydrophobicContact CE1-CD1 3.7Å; F102-L142 HydrophobicContact CE1-CG 4.29Å; F102-L142 HydrophobicContact CZ-CD1 4.27Å; V130-L142 HydrophobicContact CG2-CD2 3.75Å; N131-L142 CarbonylContact C-O 3.52Å; N131-L142 WeakPolarHBondContact CA-O 3.34Å; N131-L142 PolarHBondContact OD1-O 2.9Å; N131-L142 VanDerWaalsContact OD1-O 3.14Å; A132-L142 HydrophobicContact CB-CB 3.87Å; A132-L142 PolarHBondContact N-O 3.5Å; A132-L142 PolarHBondContact O-N 2.83Å; A132-L142 VanDerWaalsContact O-N 3.15Å
143	I	98.5	Very high	96.6	Very high	76 Å²	76	56.2 Å²	56.2	39%	0.39	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	132.7	171.2	-55.5	170.4	0	0	0	107.8	C100 K101 P103 N131 N140	C100-I143 WeakPolarHBondContact CA-O 3.28Å; K101-I143 PolarHBondContact N-O 3.21Å; K101-I143 PolarHBondContact O-N 3.13Å; P103-I143 HydrophobicContact CG-CD1 4.01Å; P103-I143 HydrophobicContact CG-CG1 4.29Å; N131-I143 WeakPolarHBondContact OD1-CG1 3.44Å; N140-I143 HydrophobicContact CB-CD1 3.95Å; N140-I143 HydrophobicContact CB-CG1 4.24Å
144	G	98.4	Very high	96.3	Very high	20 Å²	20	54.3 Å²	54.3	21%	0.206	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.1	-159.3	-178.6	0	0	0	0	0	115	S99 V130	S99-G144 CarbonylContact O-C 3.5Å; S99-G144 WeakPolarHBondContact O-CA 3.47Å; V130-G144 WeakPolarHBondContact CG2-O 3.41Å; V130-G144 PolarHBondContact N-O 2.79Å; V130-G144 PolarHBondContact O-N 3.04Å
145	C	98.4	Very high	95.9	Very high	34 Å²	34	54.9 Å²	54.9	23%	0.23	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.5	172.1	63.2	0	0	0	0	112.6	S99 T127 F128	S99-C145 PolarHBondContact N-O 2.88Å; S99-C145 PolarHBondContact O-N 3.34Å; T127-C145 HydrophobicContact CG2-CB 3.89Å; F128-C145 CarbonylContact O-C 3.53Å; F128-C145 WeakPolarHBondContact O-CA 3.26Å; F128-C145 WeakPolarHBondContact O-CB 3.48Å
146	F	98.5	Very high	95.6	Very high	1 Å²	1	55 Å²	55	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	120.3	172.4	-82.6	-120.1	0	0	0	108.6	Q77 I80 L84 V95 I98 F128 V130	Q77-F146 HydrophobicContact CB-CZ 4.09Å; Q77-F146 HydrophobicContact CG-CZ 4.14Å; I80-F146 HydrophobicContact CB-CE1 4.13Å; I80-F146 HydrophobicContact CB-CE2 4.17Å; I80-F146 HydrophobicContact CB-CZ 3.83Å; I80-F146 HydrophobicContact CD1-CD2 4.48Å; I80-F146 HydrophobicContact CD1-CE2 3.63Å; I80-F146 HydrophobicContact CD1-CZ 3.91Å; I80-F146 HydrophobicContact CG1-CE2 4.49Å; I80-F146 HydrophobicContact CG1-CZ 4.47Å; I80-F146 HydrophobicContact CG2-CD1 3.87Å; I80-F146 HydrophobicContact CG2-CD2 3.84Å; I80-F146 HydrophobicContact CG2-CE1 3.74Å; I80-F146 HydrophobicContact CG2-CE2 3.72Å; I80-F146 HydrophobicContact CG2-CG 3.93Å; I80-F146 HydrophobicContact CG2-CZ 3.67Å; L84-F146 HydrophobicContact CD1-CB 3.83Å; L84-F146 HydrophobicContact CD1-CD1 4.24Å; L84-F146 HydrophobicContact CD1-CG 4.24Å; V95-F146 HydrophobicContact CG1-CD1 4.5Å; V95-F146 HydrophobicContact CG2-CD1 4.37Å; I98-F146 HydrophobicContact CD1-CD1 4.08Å; I98-F146 HydrophobicContact CD1-CE1 3.49Å; I98-F146 VanDerWaalsContact CD1-CE1 3.49Å; I98-F146 HydrophobicContact CD1-CZ 3.85Å; I98-F146 HydrophobicContact CG1-CD1 3.8Å; I98-F146 HydrophobicContact CG1-CE1 3.69Å; I98-F146 HydrophobicContact CG1-CE2 4.49Å; I98-F146 HydrophobicContact CG1-CG 4.26Å; I98-F146 HydrophobicContact CG1-CZ 4.05Å; I98-F146 HydrophobicContact CG2-CD2 4.15Å; I98-F146 HydrophobicContact CG2-CE1 4.31Å; I98-F146 HydrophobicContact CG2-CE2 3.69Å; I98-F146 HydrophobicContact CG2-CZ 3.77Å; F128-F146 PolarHBondContact N-O 3.25Å; F128-F146 PolarHBondContact O-N 3.3Å; V130-F146 HydrophobicContact CG1-CD2 4.15Å; V130-F146 HydrophobicContact CG2-CD2 3.73Å; V130-F146 HydrophobicContact CG2-CE2 3.99Å
147	D	98.2	Very high	95.1	Very high	34 Å²	34	50.1 Å²	50.1	18%	0.182	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	128.6	167.6	-73.6	-24.8	0	0	0	108.8	H96 A97 L125 A126 T127	H96-D147 HydrophobicContact CB-CB 4.13Å; H96-D147 PolarHBondContact N-O 3.45Å; A97-D147 HydrophobicContact CB-CB 4.02Å; A97-D147 PolarHBondContact N-O 3.34Å; A97-D147 PolarHBondContact O-N 2.88Å; L125-D147 HydrophobicContact CD1-CB 4.13Å; A126-D147 CarbonylContact O-C 3.59Å; A126-D147 WeakPolarHBondContact O-CA 3.43Å; T127-D147 VanDerWaalsContact CB-OD1 3.25Å; T127-D147 WeakPolarHBondContact CB-OD1 3.46Å; T127-D147 VanDerWaalsContact CG2-OD1 3.25Å; T127-D147 WeakPolarHBondContact CG2-OD1 3.36Å; T127-D147 PolarHBondContact OG1-OD1 2.88Å
148	V	97.7	Very high	94.8	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.3	178.8	-59.4	0	0	0	0	111.1	L84 P89 V94 V95 A126 F128 L150	L84-V148 HydrophobicContact CD1-CG1 3.97Å; P89-V148 HydrophobicContact CG-CG2 4.44Å; V94-V148 CarbonylContact O-C 3.56Å; V94-V148 WeakPolarHBondContact O-CA 3.34Å; V95-V148 HydrophobicContact CG2-CG1 4.32Å; A126-V148 HydrophobicContact CB-CG2 4.14Å; A126-V148 PolarHBondContact N-O 3.48Å; A126-V148 PolarHBondContact O-N 3.01Å; F128-V148 HydrophobicContact CD2-CG2 3.78Å; F128-V148 HydrophobicContact CE2-CG2 3.44Å; F128-V148 VanDerWaalsContact CE2-CG2 3.44Å; V148-L150 HydrophobicContact CG2-CD2 3.83Å
149	F	97.1	Very high	94.4	Very high	81 Å²	81	48.6 Å²	48.6	36%	0.355	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	130.6	167.8	-79.8	-63.7	0	0	0	110.4	C93 V94 H96 R124 L125	C93-F149 VanDerWaalsContact CA-O 3.29Å; C93-F149 WeakPolarHBondContact CA-O 3.41Å; V94-F149 PolarHBondContact N-O 2.98Å; V94-F149 VanDerWaalsContact N-O 3.13Å; V94-F149 PolarHBondContact O-N 2.69Å; H96-F149 HydrophobicContact CB-CD2 3.8Å; H96-F149 HydrophobicContact CB-CE2 3.78Å; H96-F149 AromaticContact CE1-CE2 3.97Å; H96-F149 AromaticContact CG-CE2 3.48Å; H96-F149 VanDerWaalsContact CG-CE2 3.48Å; H96-F149 AromaticContact ND1-CE2 3.39Å; H96-F149 WeakPolarHBondContact ND1-CE2 3.14Å; R124-F149 WeakPolarHBondContact O-CA 3.33Å; L125-F149 HydrophobicContact CB-CD1 4.42Å; L125-F149 HydrophobicContact CB-CE1 4.22Å; L125-F149 HydrophobicContact CD1-CD1 4.05Å; L125-F149 HydrophobicContact CD1-CE1 3.93Å; L125-F149 HydrophobicContact CD1-CG 4.38Å; L125-F149 HydrophobicContact CD1-CZ 4.18Å
150	L	96	Very high	93.7	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-100.6	148.6	178.7	-53.5	-174.8	0	0	0	111.3	I24 P89 C93 R124 A126 V148 Q154 L155	I24-L150 HydrophobicContact CD1-CD1 3.94Å; I24-L150 HydrophobicContact CG2-CD1 4.44Å; P89-L150 HydrophobicContact CB-CD2 3.62Å; P89-L150 HydrophobicContact CG-CD2 3.41Å; P89-L150 VanDerWaalsContact CG-CD2 3.41Å; C93-L150 HydrophobicContact CB-CD2 4.2Å; R124-L150 WeakPolarHBondContact CD-O 3.39Å; R124-L150 PolarHBondContact NH1-O 2.78Å; R124-L150 PolarHBondContact O-N 3.08Å; A126-L150 HydrophobicContact CB-CD1 3.77Å; A126-L150 HydrophobicContact CB-CD2 4.47Å; A126-L150 HydrophobicContact CB-CG 4.12Å; V148-L150 HydrophobicContact CG2-CD2 3.83Å; L150-Q154 HydrophobicContact CB-CB 4.08Å; L150-Q154 HydrophobicContact CD2-CB 4.49Å; L150-L155 HydrophobicContact CB-CD2 4.42Å; L150-L155 HydrophobicContact CB-CG 4.43Å; L150-L155 HydrophobicContact CD1-CD2 3.82Å
151	T	93.9	Very high	92.9	Very high	40 Å²	40	54.5 Å²	54.5	25%	0.245	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-73.8	172.8	162.9	76.8	0	0	0	0	110.5	E153 Q154 L155	T151-E153 VanDerWaalsContact C-N 3.3Å; T151-E153 WeakPolarHBondContact CB-OE2 3.13Å; T151-E153 PolarHBondContact OG1-N 3.47Å; T151-E153 PolarHBondContact OG1-OE2 2.99Å; T151-Q154 WeakPolarHBondContact OG1-CG 3.4Å; T151-Q154 PolarHBondContact OG1-N 2.93Å; T151-Q154 VanDerWaalsContact OG1-N 3.17Å; T151-L155 PolarHBondContact O-N 2.65Å
152	R	91	Very high	92.1	Very high	194 Å²	194	60.7 Å²	60.7	73%	0.732	32%	0.316	S	S	*	.	H	α-helix	trans	-69.2	-36.5	176.1	-71.2	-176.3	178	-170.7	0.2	111	Q154 L155	R152-Q154 VanDerWaalsContact C-N 3.33Å; R152-L155 WeakPolarHBondContact O-CB 3.45Å; R152-L155 PolarHBondContact O-N 3.35Å
153	E	91.3	Very high	91.4	Very high	134 Å²	134	63.3 Å²	63.3	63%	0.626	33%	0.33	S	S	*	.	H	α-helix	trans	-62.3	-43.3	178	-60.1	68.5	-147.2	0	0	110	T151 L155 S156	T151-E153 VanDerWaalsContact C-N 3.3Å; T151-E153 WeakPolarHBondContact CB-OE2 3.13Å; T151-E153 PolarHBondContact OG1-N 3.47Å; T151-E153 PolarHBondContact OG1-OE2 2.99Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 3.31Å; E153-S156 CarbonylContact O-C 3.56Å; E153-S156 WeakPolarHBondContact O-CA 3.35Å; E153-S156 WeakPolarHBondContact O-CB 3.47Å; E153-S156 PolarHBondContact O-N 2.79Å
154	Q	91.9	Very high	91.1	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.019	33%	0.332	C	S	.	.	H	α-helix	trans	-66.3	-30.8	179	-72.9	176.4	-38.8	0	0	114.2	P89 G90 T91 C93 L150 T151 R152 S156 L157	P89-Q154 HydrophobicContact CB-CB 4.34Å; P89-Q154 HydrophobicContact CB-CG 4.38Å; P89-Q154 PolarHBondContact O-NE2 2.74Å; P89-Q154 VanDerWaalsContact O-NE2 3.17Å; G90-Q154 PolarHBondContact O-NE2 3.19Å; T91-Q154 PolarHBondContact O-NE2 2.87Å; T91-Q154 VanDerWaalsContact O-NE2 3.08Å; C93-Q154 VanDerWaalsContact N-NE2 3.12Å; L150-Q154 HydrophobicContact CB-CB 4.08Å; L150-Q154 HydrophobicContact CD2-CB 4.49Å; T151-Q154 WeakPolarHBondContact OG1-CG 3.4Å; T151-Q154 PolarHBondContact OG1-N 2.93Å; T151-Q154 VanDerWaalsContact OG1-N 3.17Å; R152-Q154 VanDerWaalsContact C-N 3.33Å; Q154-S156 PolarHBondContact O-N 3.05Å; Q154-L157 HydrophobicContact CB-CD1 4.44Å; Q154-L157 HydrophobicContact CG-CD1 4.12Å; Q154-L157 PolarHBondContact O-N 3.29Å; Q154-L157 VanDerWaalsContact O-N 3.09Å
155	L	89.8	Confident	90.7	Very high	16 Å²	16	64.4 Å²	64.4	8%	0.084	33%	0.328	C	S	.	.	H	α-helix	trans	-62	-22.9	172.5	-72.3	173.8	0	0	0	112.1	R22 F23 I24 R124 L150 T151 R152 E153	R22-L155 CarbonylContact C-O 3.46Å; R22-L155 VanDerWaalsContact CA-O 3.23Å; R22-L155 WeakPolarHBondContact CA-O 3.14Å; R22-L155 HydrophobicContact CG-CB 4.47Å; F23-L155 PolarHBondContact N-O 3.46Å; I24-L155 HydrophobicContact CG2-CD2 4.01Å; I24-L155 PolarHBondContact N-O 3.27Å; R124-L155 HydrophobicContact CG-CD1 3.99Å; L150-L155 HydrophobicContact CB-CD2 4.42Å; L150-L155 HydrophobicContact CB-CG 4.43Å; L150-L155 HydrophobicContact CD1-CD2 3.82Å; T151-L155 PolarHBondContact O-N 2.65Å; R152-L155 WeakPolarHBondContact O-CB 3.45Å; R152-L155 PolarHBondContact O-N 3.35Å; E153-L155 VanDerWaalsContact C-N 3.34Å; E153-L155 PolarHBondContact O-N 3.31Å
156	S	89.4	Confident	90.4	Very high	53 Å²	53	66 Å²	66	37%	0.371	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	19.4	177.7	-59.4	0	0	0	0	112.8	N21 F23 E153 Q154	N21-S156 PolarHBondContact O-OG 3.08Å; F23-S156 VanDerWaalsContact CD2-O 3.27Å; F23-S156 WeakPolarHBondContact CD2-O 3.37Å; E153-S156 CarbonylContact O-C 3.56Å; E153-S156 WeakPolarHBondContact O-CA 3.35Å; E153-S156 WeakPolarHBondContact O-CB 3.47Å; E153-S156 PolarHBondContact O-N 2.79Å; Q154-S156 PolarHBondContact O-N 3.05Å
157	L	86.7	Confident	89.8	Confident	78 Å²	78	69.4 Å²	69.4	41%	0.408	35%	0.35	S	S	.	.			trans	-99.9	151.7	172.5	-63.8	177.8	0	0	0	111.4	F23 I24 F88 Q154	F23-L157 CarbonylContact C-O 3.38Å; I24-L157 WeakPolarHBondContact CA-O 3.46Å; I24-L157 PolarHBondContact N-O 2.72Å; F88-L157 HydrophobicContact CE2-CB 4.34Å; Q154-L157 HydrophobicContact CB-CD1 4.44Å; Q154-L157 HydrophobicContact CG-CD1 4.12Å; Q154-L157 PolarHBondContact O-N 3.29Å; Q154-L157 VanDerWaalsContact O-N 3.09Å
158	K	87.2	Confident	88.7	Confident	145 Å²	145	75.3 Å²	75.3	63%	0.63	38%	0.377	S	S	*	.			trans	-106.8	158	161.9	-68.3	-170	175.7	-175.7	0	108.7	F23 F88	F23-K158 HydrophobicContact CB-CG 3.95Å; F88-K158 VanDerWaalsContact CE2-C 3.41Å
159	P	85.7	Confident	87.2	Confident	26 Å²	26	77.5 Å²	77.5	17%	0.169	39%	0.392	C	S	.	.			trans	-52.7	150.8	165.9	-23.3	32.8	0	0	0	110.9	D28 F88	D28-P159 HydrophobicContact CB-CG 3.58Å; D28-P159 WeakPolarHBondContact OD2-CD 3.22Å; F88-P159 HydrophobicContact CD1-CG 4.18Å; F88-P159 HydrophobicContact CD2-CB 4.44Å; F88-P159 HydrophobicContact CD2-CG 4.4Å; F88-P159 HydrophobicContact CE1-CG 3.8Å; F88-P159 HydrophobicContact CE2-CG 4.05Å; F88-P159 VanDerWaalsContact CE2-N 3.34Å; F88-P159 HydrophobicContact CG-CB 4.42Å; F88-P159 HydrophobicContact CG-CG 4.45Å; F88-P159 HydrophobicContact CZ-CG 3.71Å
160	P	83.8	Confident	85.3	Confident	58 Å²	58	84.9 Å²	84.9	38%	0.377	44%	0.435	S	S	.	.			trans	-57.9	154.2	169.5	26.5	-33.9	0	0	0	110.7	I30 D162	I30-P160 HydrophobicContact CD1-CG 4.15Å; P160-D162 VanDerWaalsContact C-N 3.28Å; P160-D162 WeakPolarHBondContact CG-O 3.5Å; P160-D162 PolarHBondContact O-N 2.92Å
161	V	80	Confident	84.8	Confident	144 Å²	144	89 Å²	89	87%	0.873	46%	0.456	S	S	*	.	S	Bend	trans	-58.7	-45.3	176.4	177.6	0	0	0	0	110.1	N163	V161-N163 PolarHBondContact O-N 3.03Å
162	D	81.4	Confident	84.3	Confident	135 Å²	135	91.6 Å²	91.6	72%	0.722	47%	0.467	S	S	*	.	S	Bend	trans	-88.1	95.1	168.8	-64.6	-27.2	0	0	0	108.7	P160 E164	P160-D162 VanDerWaalsContact C-N 3.28Å; P160-D162 WeakPolarHBondContact CG-O 3.5Å; P160-D162 PolarHBondContact O-N 2.92Å; D162-E164 VanDerWaalsContact C-N 3.28Å; D162-E164 PolarHBondContact O-N 3.17Å
163	N	83.8	Confident	84	Confident	55 Å²	55	85.9 Å²	85.9	29%	0.294	45%	0.452	S	S	.	.			trans	-93.4	19.9	-177.4	64.6	2.8	0	0	0	113.1	R29 I30 S31 V161	R29-N163 VanDerWaalsContact CG-ND2 3.34Å; R29-N163 WeakPolarHBondContact CG-ND2 3.36Å; I30-N163 CarbonylContact C-O 3.5Å; S31-N163 PolarHBondContact N-O 3.05Å; S31-N163 PolarHBondContact OG-O 3.21Å; V161-N163 PolarHBondContact O-N 3.03Å
164	E	93	Very high	83.5	Confident	95 Å²	95	83.1 Å²	83.1	44%	0.444	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	112.6	175.3	-177.3	175.8	114.7	0	0	109.7	S31 I33 R113 D162 V166	S31-E164 WeakPolarHBondContact OG-CA 3.22Å; S31-E164 WeakPolarHBondContact OG-CB 3.44Å; I33-E164 HydrophobicContact CD1-CG 3.99Å; R113-E164 IonicContact CZ-OE2 3.33Å; R113-E164 VanDerWaalsContact NH1-CD 3.25Å; R113-E164 IonicContact NH1-OE2 3.04Å; R113-E164 PolarHBondContact NH1-OE2 3.15Å; R113-E164 IonicContact NH2-OE2 2.62Å; D162-E164 VanDerWaalsContact C-N 3.28Å; D162-E164 PolarHBondContact O-N 3.17Å; E164-V166 HydrophobicContact CG-CG2 4.41Å
165	I	90.8	Very high	83	Confident	24 Å²	24	88 Å²	88	12%	0.123	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.1	179.2	-62.8	91.3	0	0	0	109	I30 S31 L32 I33 L83 H87 Y167	I30-I165 HydrophobicContact CD1-CD1 3.67Å; I30-I165 HydrophobicContact CG1-CD1 3.65Å; S31-I165 VanDerWaalsContact O-CD1 3.23Å; S31-I165 WeakPolarHBondContact O-CD1 3.4Å; S31-I165 PolarHBondContact O-N 2.81Å; L32-I165 CarbonylContact C-O 3.55Å; L32-I165 VanDerWaalsContact CA-O 3.24Å; L32-I165 WeakPolarHBondContact CA-O 3.37Å; I33-I165 PolarHBondContact N-O 3.02Å; L83-I165 HydrophobicContact CD1-CD1 3.95Å; H87-I165 HydrophobicContact CB-CD1 3.99Å; H87-I165 HydrophobicContact CB-CG1 4.49Å; I165-Y167 HydrophobicContact CG2-CD2 3.88Å; I165-Y167 HydrophobicContact CG2-CE2 3.49Å; I165-Y167 VanDerWaalsContact CG2-CE2 3.49Å
166	V	90.6	Very high	82.6	Confident	68 Å²	68	92.8 Å²	92.8	41%	0.412	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	119	175.2	-174.5	0	0	0	0	109.2	I33 E164	I33-V166 HydrophobicContact CB-CG2 4.45Å; I33-V166 HydrophobicContact CD1-CG2 4.38Å; E164-V166 HydrophobicContact CG-CG2 4.41Å
167	Y	85.8	Confident	82.1	Confident	72 Å²	72	95.6 Å²	95.6	28%	0.282	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116	169.1	-76.1	-88	0	0	0	109.4	L32 I33 C82 H87 I165	L32-Y167 HydrophobicContact CD1-CD2 3.85Å; L32-Y167 HydrophobicContact CD1-CE2 3.46Å; L32-Y167 VanDerWaalsContact CD1-CE2 3.46Å; L32-Y167 HydrophobicContact CD2-CD2 4.17Å; L32-Y167 HydrophobicContact CG-CD2 3.84Å; L32-Y167 HydrophobicContact CG-CE2 3.92Å; I33-Y167 PolarHBondContact O-N 3.27Å; C82-Y167 PolarHBondContact SG-OH 2.81Å; H87-Y167 AromaticContact NE2-CZ 3.89Å; H87-Y167 PolarHBondContact NE2-OH 3.22Å; I165-Y167 HydrophobicContact CG2-CD2 3.88Å; I165-Y167 HydrophobicContact CG2-CE2 3.49Å; I165-Y167 VanDerWaalsContact CG2-CE2 3.49Å
168	H	75.5	Confident	81.7	Confident	158 Å²	158	97 Å²	97	73%	0.731	51%	0.51	S	S	*	.			trans	-81	123.4	167.9	-58.4	-69.9	0	0	0	108.2	D170	H168-D170 PolarHBondContact O-N 3.01Å
169	S	66.6	Low	81.3	Confident	46 Å²	46	93 Å²	93	32%	0.322	50%	0.5	S	S	.	.			trans	-68.4	128.3	168.1	-42.6	0	0	0	0	107.9	K35	K35-S169 PolarHBondContact O-OG 2.76Å
170	D	58.1	Low	80.9	Confident	235 Å²	235	99.1 Å²	99.1	100%	1.257	53%	0.531	S	S	*	.			trans	-62.4	0	168.7	-64.1	-36.5	0	0	0	111.9	H168	H168-D170 PolarHBondContact O-N 3.01Å

Retrieved 170 of 170 residues in 282.8 ms (Link to these results)

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