A0A077ZIQ8_TRITR Loading...

Carbonic anhydrase

Reversible hydration of carbon dioxide.

AlphaFold DB , UniProt , Accession A0A077ZIQ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 198 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	72.8	Confident	83.8	Confident	111 Å²	111	108.8 Å²	108.8	55%	0.547	57%	0.569	S	S	.	*				0	-78.6	0	-164.1	178.2	84.7	0	0	112.5	K3 Q4 L5 P33	M1-K3 VanDerWaalsContact C-N 3.35Å; M1-K3 PolarHBondContact O-N 3.36Å; M1-K3 VanDerWaalsContact O-N 3.14Å; M1-Q4 WeakPolarHBondContact O-CB 3.28Å; M1-Q4 PolarHBondContact O-N 2.95Å; M1-L5 HydrophobicContact CE-CD1 4.49Å; M1-L5 HydrophobicContact CG-CD1 3.84Å; M1-L5 HydrophobicContact CG-CG 4.5Å; M1-L5 PolarHBondContact O-N 2.71Å; M1-P33 HydrophobicContact CE-CB 4.4Å; M1-P33 HydrophobicContact CE-CG 4Å
2	F	82.3	Confident	84.7	Confident	155 Å²	155	115.8 Å²	115.8	68%	0.68	58%	0.582	S	S	*	*	H	α-helix	trans	-55.5	-37.2	-170	-66.9	-66.5	0	0	0	116.3	Q4 L5 A6	F2-Q4 VanDerWaalsContact C-N 3.25Å; F2-Q4 PolarHBondContact O-N 3.22Å; F2-L5 PolarHBondContact O-N 2.97Å; F2-A6 WeakPolarHBondContact O-CB 3.42Å; F2-A6 PolarHBondContact O-N 3.28Å
3	K	82.8	Confident	85.6	Confident	194 Å²	194	108.8 Å²	108.8	84%	0.843	55%	0.549	S	S	*	.	H	α-helix	trans	-59.9	-34.4	175.4	-73.2	-175.2	177.6	-179.5	0	113.3	M1	M1-K3 VanDerWaalsContact C-N 3.35Å; M1-K3 PolarHBondContact O-N 3.36Å; M1-K3 VanDerWaalsContact O-N 3.14Å
4	Q	77.7	Confident	86.6	Confident	146 Å²	146	101.1 Å²	101.1	68%	0.682	51%	0.51	S	S	*	.	H	α-helix	trans	-75.5	-47.9	178.6	-174.2	179.8	-11.9	0	0	110.4	M1 F2 A6 T7 Q8	M1-Q4 WeakPolarHBondContact O-CB 3.28Å; M1-Q4 PolarHBondContact O-N 2.95Å; F2-Q4 VanDerWaalsContact C-N 3.25Å; F2-Q4 PolarHBondContact O-N 3.22Å; Q4-A6 PolarHBondContact O-N 3.4Å; Q4-T7 PolarHBondContact O-N 2.68Å; Q4-T7 PolarHBondContact O-OG1 3.03Å; Q4-Q8 PolarHBondContact O-N 3.02Å
5	L	82.4	Confident	87.3	Confident	60 Å²	60	94.4 Å²	94.4	31%	0.314	48%	0.476	S	S	.	.	H	α-helix	trans	-60.3	-27.2	177.8	-67.8	173.8	0	0	0	113.3	M1 F2 T7 P33	M1-L5 HydrophobicContact CE-CD1 4.49Å; M1-L5 HydrophobicContact CG-CD1 3.84Å; M1-L5 HydrophobicContact CG-CG 4.5Å; M1-L5 PolarHBondContact O-N 2.71Å; F2-L5 PolarHBondContact O-N 2.97Å; L5-T7 PolarHBondContact O-N 3.14Å; L5-P33 HydrophobicContact CD1-CB 4.09Å; L5-P33 VanDerWaalsContact CD1-O 3.22Å; L5-P33 WeakPolarHBondContact CD1-O 3.27Å
6	A	85	Confident	88.1	Confident	87 Å²	87	88.5 Å²	88.5	72%	0.719	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.5	175.2	0	0	0	0	0	113.7	F2 Q4	F2-A6 WeakPolarHBondContact O-CB 3.42Å; F2-A6 PolarHBondContact O-N 3.28Å; Q4-A6 PolarHBondContact O-N 3.4Å
7	T	83.4	Confident	88.7	Confident	122 Å²	122	83.3 Å²	83.3	75%	0.748	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-26.2	-176.2	60.5	0	0	0	0	113.5	Q4 L5	Q4-T7 PolarHBondContact O-N 2.68Å; Q4-T7 PolarHBondContact O-OG1 3.03Å; L5-T7 PolarHBondContact O-N 3.14Å
8	Q	82.9	Confident	89.2	Confident	138 Å²	138	79.1 Å²	79.1	65%	0.645	40%	0.4	S	S	*	.			trans	-153.5	144	-176.3	-168.7	173.5	23.6	0	0	111.1	Q4	Q4-Q8 PolarHBondContact O-N 3.02Å
9	Q	86.9	Confident	89.7	Confident	89 Å²	89	78.4 Å²	78.4	42%	0.416	40%	0.403	S	S	.	.			trans	-116	141.4	164.4	64.2	179.7	-49.3	0	0	109.1	L67	Q9-L67 HydrophobicContact CG-CD2 3.91Å
10	S	90.2	Very high	90.1	Very high	91 Å²	91	75.8 Å²	75.8	64%	0.636	39%	0.39	S	S	*	.			trans	-143.8	56.2	174.4	65.5	0	0	0	0	111
11	P	95.3	Very high	90.3	Very high	4 Å²	4	77.1 Å²	77.1	3%	0.026	41%	0.406	C	S	.	.			trans	-62	141.7	179.1	27.7	-33.5	0	0	0	109.5	G34 D35 F37 L67	P11-G34 WeakPolarHBondContact CA-O 3.14Å; P11-D35 WeakPolarHBondContact CA-O 3.42Å; P11-D35 WeakPolarHBondContact CB-O 3.46Å; P11-F37 HydrophobicContact CB-CB 4.06Å; P11-F37 HydrophobicContact CG-CB 3.76Å; P11-F37 HydrophobicContact CG-CD2 4.42Å; P11-L67 HydrophobicContact CG-CB 4.49Å; P11-L67 HydrophobicContact CG-CD1 3.71Å
12	R	94.4	Very high	91.4	Very high	192 Å²	192	77.6 Å²	77.6	73%	0.725	40%	0.402	S	S	*	.	S	Bend	trans	-89.1	-21.3	176	-67.2	-168.4	179.4	-164.9	0.4	112.5	D35 V69 S70 D71	R12-D35 PolarHBondContact N-O 3.3Å; R12-V69 CarbonylContact O-C 3.59Å; R12-V69 WeakPolarHBondContact O-CA 3.32Å; R12-V69 WeakPolarHBondContact O-CB 3.22Å; R12-S70 PolarHBondContact O-N 3.2Å; R12-S70 PolarHBondContact O-OG 3.43Å; R12-D71 PolarHBondContact O-N 2.95Å
13	T	97.3	Very high	92	Very high	26 Å²	26	70.2 Å²	70.2	16%	0.16	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.2	-171.9	-54.4	0	0	0	0	110.7	L36 F37 D71 V73	T13-L36 HydrophobicContact CG2-CD2 4.24Å; T13-F37 PolarHBondContact O-N 3.43Å; T13-D71 CarbonylContact C-O 3.53Å; T13-D71 VanDerWaalsContact CA-O 3.3Å; T13-D71 WeakPolarHBondContact CA-O 3.46Å; T13-D71 HydrophobicContact CG2-CB 3.97Å; T13-V73 HydrophobicContact CG2-CG2 3.77Å
14	L	98.4	Very high	92.5	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	119.6	159.9	166.9	60.5	0	0	0	108.6	I16 F37 I39 V60 A63 V69 D71 I72 V73	L14-I16 HydrophobicContact CD1-CD1 4.49Å; L14-I16 HydrophobicContact CD1-CG1 3.96Å; L14-I16 HydrophobicContact CD2-CD1 3.99Å; L14-I16 HydrophobicContact CD2-CG1 4.29Å; L14-I16 HydrophobicContact CG-CD1 4.16Å; L14-I16 HydrophobicContact CG-CG1 3.91Å; L14-F37 CarbonylContact C-O 3.58Å; L14-F37 VanDerWaalsContact CA-O 3.31Å; L14-F37 WeakPolarHBondContact CA-O 3.36Å; L14-F37 HydrophobicContact CD1-CD1 3.74Å; L14-F37 WeakPolarHBondContact CD1-O 3.26Å; L14-I39 HydrophobicContact CD1-CD1 3.72Å; L14-I39 HydrophobicContact CD1-CG1 3.83Å; L14-V60 HydrophobicContact CD2-CB 4.41Å; L14-V60 HydrophobicContact CD2-CG2 4.02Å; L14-A63 HydrophobicContact CB-CB 4.03Å; L14-A63 HydrophobicContact CD1-CB 4.38Å; L14-A63 HydrophobicContact CD2-CB 3.93Å; L14-A63 HydrophobicContact CG-CB 4.32Å; L14-V69 HydrophobicContact CB-CG2 4.16Å; L14-D71 PolarHBondContact N-O 3.22Å; L14-I72 HydrophobicContact CB-CG1 4.28Å; L14-I72 HydrophobicContact CB-CG2 4.33Å; L14-I72 HydrophobicContact CD2-CD1 4.33Å; L14-I72 HydrophobicContact CD2-CG1 4.32Å; L14-I72 HydrophobicContact CD2-CG2 3.89Å; L14-I72 HydrophobicContact CG-CG2 4.06Å; L14-I72 CarbonylContact O-C 3.56Å; L14-I72 WeakPolarHBondContact O-CA 3.46Å; L14-V73 PolarHBondContact O-N 2.99Å
15	F	98.4	Very high	93.3	Very high	1 Å²	1	56.4 Å²	56.4	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	113	179.4	-158.4	-79	0	0	0	110.2	P25 T29 L36 F37 V38 I39 V73 C75 W159	F15-P25 HydrophobicContact CD1-CB 3.56Å; F15-P25 HydrophobicContact CD1-CG 3.67Å; F15-P25 HydrophobicContact CE1-CB 3.79Å; F15-P25 HydrophobicContact CE1-CG 3.9Å; F15-P25 HydrophobicContact CG-CB 4.03Å; F15-P25 HydrophobicContact CZ-CB 4.46Å; F15-T29 HydrophobicContact CD2-CG2 4.3Å; F15-T29 HydrophobicContact CE2-CG2 3.69Å; F15-T29 HydrophobicContact CZ-CG2 4.29Å; F15-L36 HydrophobicContact CB-CD1 4.31Å; F15-L36 HydrophobicContact CD2-CD1 4.5Å; F15-L36 HydrophobicContact CG-CD1 4.48Å; F15-F37 PolarHBondContact N-O 3.11Å; F15-V38 WeakPolarHBondContact O-CA 3.46Å; F15-I39 PolarHBondContact O-N 3Å; F15-V73 HydrophobicContact CD2-CB 3.81Å; F15-V73 HydrophobicContact CD2-CG1 4.01Å; F15-V73 HydrophobicContact CD2-CG2 4.13Å; F15-V73 HydrophobicContact CE2-CB 4.05Å; F15-V73 HydrophobicContact CE2-CG1 3.71Å; F15-V73 HydrophobicContact CE2-CG2 4.4Å; F15-V73 HydrophobicContact CG-CB 4.4Å; F15-V73 HydrophobicContact CZ-CG1 4.21Å; F15-C75 HydrophobicContact CD1-CB 4.38Å; F15-C75 HydrophobicContact CE1-CB 3.42Å; F15-C75 VanDerWaalsContact CE1-CB 3.42Å; F15-C75 HydrophobicContact CE2-CB 4.45Å; F15-C75 HydrophobicContact CZ-CB 3.46Å; F15-C75 VanDerWaalsContact CZ-CB 3.46Å; F15-W159 HydrophobicContact CE2-CE3 4.05Å; F15-W159 AromaticContact CE2-CZ3 3.88Å; F15-W159 HydrophobicContact CE2-CZ3 3.88Å; F15-W159 HydrophobicContact CZ-CE3 4.33Å; F15-W159 HydrophobicContact CZ-CZ3 4.48Å
16	I	98.8	Very high	93.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.4	-178.1	-52.9	179.3	0	0	0	108.1	L14 I39 V46 V60 I72 V73 I74 C75 L139	L14-I16 HydrophobicContact CD1-CD1 4.49Å; L14-I16 HydrophobicContact CD1-CG1 3.96Å; L14-I16 HydrophobicContact CD2-CD1 3.99Å; L14-I16 HydrophobicContact CD2-CG1 4.29Å; L14-I16 HydrophobicContact CG-CD1 4.16Å; L14-I16 HydrophobicContact CG-CG1 3.91Å; I16-I39 WeakPolarHBondContact CA-O 3.35Å; I16-I39 HydrophobicContact CD1-CD1 4.33Å; I16-I39 HydrophobicContact CG1-CB 4.23Å; I16-I39 HydrophobicContact CG1-CD1 4.26Å; I16-I39 HydrophobicContact CG2-CB 4.34Å; I16-I39 HydrophobicContact CG2-CG2 4.39Å; I16-V46 HydrophobicContact CD1-CG2 3.67Å; I16-V46 HydrophobicContact CG2-CG2 3.99Å; I16-V60 HydrophobicContact CD1-CG2 4.14Å; I16-I72 HydrophobicContact CD1-CG2 4.18Å; I16-V73 PolarHBondContact N-O 2.83Å; I16-I74 HydrophobicContact CB-CD1 3.8Å; I16-I74 HydrophobicContact CD1-CD1 3.71Å; I16-I74 HydrophobicContact CG1-CD1 4.22Å; I16-I74 HydrophobicContact CG2-CD1 4.05Å; I16-C75 PolarHBondContact O-N 3.4Å; I16-L139 HydrophobicContact CD1-CD2 4.27Å
17	S	98.4	Very high	94	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	174.2	-173.8	76.9	0	0	0	0	113.2	I39 R40 N41 N44	S17-I39 PolarHBondContact N-O 3.38Å; S17-R40 WeakPolarHBondContact O-CA 3.27Å; S17-N41 PolarHBondContact O-N 3.15Å; S17-N44 VanDerWaalsContact C-CB 3.47Å
18	C	98.5	Very high	94.4	Very high	7 Å²	7	53.8 Å²	53.8	5%	0.047	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	148.6	178.6	-167.7	0	0	0	0	111.1	D20 L23 R40 N41 G43 H77	C18-D20 HydrophobicContact CB-CB 4.13Å; C18-D20 PolarHBondContact O-N 3.12Å; C18-D20 VanDerWaalsContact O-N 3.15Å; C18-D20 PolarHBondContact SG-N 3.47Å; C18-L23 HydrophobicContact CB-CD2 4.46Å; C18-R40 PolarHBondContact O-NE 2.85Å; C18-R40 VanDerWaalsContact O-NE 3.13Å; C18-R40 PolarHBondContact O-NH2 2.59Å; C18-R40 VanDerWaalsContact O-NH2 3.09Å; C18-N41 CarbonylContact C-O 3.51Å; C18-N41 WeakPolarHBondContact CA-O 3.27Å; C18-G43 PolarHBondContact SG-N 3.22Å; C18-H77 WeakPolarHBondContact CB-CD2 3.38Å; C18-H77 WeakPolarHBondContact CB-NE2 3.4Å; C18-H77 PolarHBondContact SG-NE2 3.16Å; C18-H77 VanDerWaalsContact SG-NE2 3.35Å
19	S	98	Very high	94.8	Very high	66 Å²	66	48.6 Å²	48.6	46%	0.462	26%	0.257	S	S	.	.			trans	-65.7	-4.7	167.6	-62.4	0	0	0	0	113.6	S21 R40 N41	S19-S21 PolarHBondContact O-N 3.19Å; S19-R40 PolarHBondContact O-NH2 3.5Å; S19-N41 PolarHBondContact N-O 3.5Å; S19-N41 WeakPolarHBondContact OG-CA 3.35Å; S19-N41 PolarHBondContact OG-N 3.2Å
20	D	97.4	Very high	95	Very high	27 Å²	27	52.1 Å²	52.1	14%	0.144	27%	0.273	C	S	.	.			trans	-51.7	124.1	175.1	-167.1	-59.3	0	0	0	111.4	C18 R22 L23 R40 H77	C18-D20 HydrophobicContact CB-CB 4.13Å; C18-D20 PolarHBondContact O-N 3.12Å; C18-D20 VanDerWaalsContact O-N 3.15Å; C18-D20 PolarHBondContact SG-N 3.47Å; D20-R22 PolarHBondContact O-N 3.08Å; D20-R22 VanDerWaalsContact O-N 3.08Å; D20-R22 VanDerWaalsContact OD1-CB 3.26Å; D20-R22 WeakPolarHBondContact OD1-CB 3.44Å; D20-R22 WeakPolarHBondContact OD1-CG 3.49Å; D20-R22 IonicContact OD1-CZ 2.69Å; D20-R22 PolarHBondContact OD1-N 3.14Å; D20-R22 IonicContact OD1-NE 2.83Å; D20-R22 PolarHBondContact OD1-NE 3.06Å; D20-R22 IonicContact OD1-NH2 2.81Å; D20-R22 IonicContact OD2-CZ 3.84Å; D20-R22 IonicContact OD2-NE 2.88Å; D20-R22 PolarHBondContact OD2-NE 3.32Å; D20-R22 IonicContact OD2-NH2 3.15Å; D20-R22 PolarHBondContact OD2-NH2 3.5Å; D20-L23 PolarHBondContact O-N 2.96Å; D20-L23 VanDerWaalsContact O-N 3.08Å; D20-R40 PolarHBondContact O-NH2 3.26Å; D20-H77 WeakPolarHBondContact CB-NE2 3.41Å; D20-H77 VanDerWaalsContact CG-CE1 3.49Å; D20-H77 IonicContact OD2-CE1 3.3Å; D20-H77 PolarHBondContact OD2-CE1 3.2Å; D20-H77 IonicContact OD2-NE2 3.68Å
21	S	95.2	Very high	95	Very high	104 Å²	104	54.4 Å²	54.4	73%	0.727	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.8	-173.8	57.3	0	0	0	0	113.9	S19 L23	S19-S21 PolarHBondContact O-N 3.19Å; S21-L23 VanDerWaalsContact C-N 3.34Å
22	R	95.4	Very high	94.6	Very high	121 Å²	121	59.9 Å²	59.9	46%	0.457	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-11.9	178.6	-58.9	168.2	-69.1	176.2	1.1	112.8	D20 N79 I163	D20-R22 PolarHBondContact O-N 3.08Å; D20-R22 VanDerWaalsContact O-N 3.08Å; D20-R22 VanDerWaalsContact OD1-CB 3.26Å; D20-R22 WeakPolarHBondContact OD1-CB 3.44Å; D20-R22 WeakPolarHBondContact OD1-CG 3.49Å; D20-R22 IonicContact OD1-CZ 2.69Å; D20-R22 PolarHBondContact OD1-N 3.14Å; D20-R22 IonicContact OD1-NE 2.83Å; D20-R22 PolarHBondContact OD1-NE 3.06Å; D20-R22 IonicContact OD1-NH2 2.81Å; D20-R22 IonicContact OD2-CZ 3.84Å; D20-R22 IonicContact OD2-NE 2.88Å; D20-R22 PolarHBondContact OD2-NE 3.32Å; D20-R22 IonicContact OD2-NH2 3.15Å; D20-R22 PolarHBondContact OD2-NH2 3.5Å; R22-N79 PolarHBondContact NH2-O 2.81Å; R22-I163 HydrophobicContact CB-CD1 3.9Å; R22-I163 HydrophobicContact CB-CG2 4.29Å
23	L	94.6	Very high	94	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.278	C	S	.	.			trans	-107.8	104.6	178.1	179.4	58	0	0	0	110.3	C18 D20 S21 V28 R40 H77 Y161	C18-L23 HydrophobicContact CB-CD2 4.46Å; D20-L23 PolarHBondContact O-N 2.96Å; D20-L23 VanDerWaalsContact O-N 3.08Å; S21-L23 VanDerWaalsContact C-N 3.34Å; L23-V28 HydrophobicContact CD1-CG2 3.84Å; L23-R40 PolarHBondContact O-NH2 3.05Å; L23-H77 HydrophobicContact CD2-CB 4.21Å; L23-Y161 HydrophobicContact CD1-CD1 3.74Å; L23-Y161 HydrophobicContact CD1-CE1 4.34Å; L23-Y161 HydrophobicContact CD1-CG 4.25Å
24	V	93.6	Very high	93.4	Very high	48 Å²	48	53.9 Å²	53.9	29%	0.291	29%	0.285	S	S	.	.			trans	-112.4	107.3	173.8	-177.5	0	0	0	0	108.1	E26 L27 V28	V24-E26 VanDerWaalsContact C-N 3.3Å; V24-E26 PolarHBondContact O-N 3.46Å; V24-L27 HydrophobicContact CB-CB 4.1Å; V24-L27 HydrophobicContact CB-CD1 3.89Å; V24-L27 HydrophobicContact CB-CG 4.05Å; V24-L27 HydrophobicContact CG1-CB 4.24Å; V24-L27 HydrophobicContact CG1-CD1 4.03Å; V24-L27 HydrophobicContact CG1-CG 3.85Å; V24-L27 HydrophobicContact CG2-CD1 4.19Å; V24-L27 PolarHBondContact O-N 2.92Å; V24-L27 VanDerWaalsContact O-N 3.12Å; V24-V28 PolarHBondContact O-N 3.38Å
25	P	94.5	Very high	93	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-50.4	-46.4	-174.6	-32.1	38.7	0	0	0	114.2	F15 L27 V28 T29 L36 V38	F15-P25 HydrophobicContact CD1-CB 3.56Å; F15-P25 HydrophobicContact CD1-CG 3.67Å; F15-P25 HydrophobicContact CE1-CB 3.79Å; F15-P25 HydrophobicContact CE1-CG 3.9Å; F15-P25 HydrophobicContact CG-CB 4.03Å; F15-P25 HydrophobicContact CZ-CB 4.46Å; P25-L27 VanDerWaalsContact C-N 3.35Å; P25-L27 PolarHBondContact O-N 3.36Å; P25-V28 PolarHBondContact O-N 3.38Å; P25-T29 WeakPolarHBondContact O-CB 3.44Å; P25-T29 WeakPolarHBondContact O-CG2 3.26Å; P25-T29 PolarHBondContact O-N 2.97Å; P25-T29 PolarHBondContact O-OG1 3.38Å; P25-L36 HydrophobicContact CB-CD1 3.89Å; P25-V38 HydrophobicContact CB-CG2 4.47Å; P25-V38 HydrophobicContact CG-CG1 4.04Å
26	E	92.7	Very high	92.9	Very high	63 Å²	63	58 Å²	58	29%	0.294	31%	0.307	S	S	.	.	H	α-helix	trans	-63.6	-39.6	-177.9	-65.2	82.2	176	0	0	111.8	V24 Q30 R31 L36	V24-E26 VanDerWaalsContact C-N 3.3Å; V24-E26 PolarHBondContact O-N 3.46Å; E26-Q30 VanDerWaalsContact O-CA 3.32Å; E26-Q30 WeakPolarHBondContact O-CA 3.42Å; E26-Q30 PolarHBondContact O-N 3.47Å; E26-R31 PolarHBondContact O-N 3.05Å; E26-L36 HydrophobicContact CG-CD1 4.38Å
27	L	90.5	Very high	92.8	Very high	118 Å²	118	59.7 Å²	59.7	62%	0.618	31%	0.314	S	S	*	.	H	α-helix	trans	-70	-44.8	176.4	-67.5	179.5	0	0	0	111.6	V24 P25 T29 Q30	V24-L27 HydrophobicContact CB-CB 4.1Å; V24-L27 HydrophobicContact CB-CD1 3.89Å; V24-L27 HydrophobicContact CB-CG 4.05Å; V24-L27 HydrophobicContact CG1-CB 4.24Å; V24-L27 HydrophobicContact CG1-CD1 4.03Å; V24-L27 HydrophobicContact CG1-CG 3.85Å; V24-L27 HydrophobicContact CG2-CD1 4.19Å; V24-L27 PolarHBondContact O-N 2.92Å; V24-L27 VanDerWaalsContact O-N 3.12Å; P25-L27 VanDerWaalsContact C-N 3.35Å; P25-L27 PolarHBondContact O-N 3.36Å; L27-T29 VanDerWaalsContact C-N 3.26Å; L27-T29 PolarHBondContact O-N 2.79Å; L27-Q30 PolarHBondContact O-N 3.28Å; L27-Q30 PolarHBondContact O-NE2 3.44Å
28	V	91.1	Very high	92.8	Very high	33 Å²	33	62 Å²	62	20%	0.2	33%	0.328	C	S	.	.	H	α-helix	trans	-64.2	-34.6	179.9	171.7	0	0	0	0	111.4	L23 V24 P25 Y161 I168	L23-V28 HydrophobicContact CD1-CG2 3.84Å; V24-V28 PolarHBondContact O-N 3.38Å; P25-V28 PolarHBondContact O-N 3.38Å; V28-Y161 HydrophobicContact CG1-CD2 3.96Å; V28-Y161 HydrophobicContact CG1-CE2 4.11Å; V28-Y161 HydrophobicContact CG1-CG 4.44Å; V28-Y161 HydrophobicContact CG2-CD1 4.32Å; V28-Y161 HydrophobicContact CG2-CD2 4.36Å; V28-Y161 HydrophobicContact CG2-CE1 3.97Å; V28-Y161 HydrophobicContact CG2-CE2 4.02Å; V28-Y161 HydrophobicContact CG2-CG 4.49Å; V28-I168 HydrophobicContact CG1-CD1 3.7Å
29	T	91.6	Very high	92.8	Very high	30 Å²	30	62.3 Å²	62.3	18%	0.184	33%	0.33	C	S	.	.	H	α-helix	trans	-98.8	-2.8	-176.7	59.7	0	0	0	0	114.3	F15 P25 L27 R31 W159	F15-T29 HydrophobicContact CD2-CG2 4.3Å; F15-T29 HydrophobicContact CE2-CG2 3.69Å; F15-T29 HydrophobicContact CZ-CG2 4.29Å; P25-T29 WeakPolarHBondContact O-CB 3.44Å; P25-T29 WeakPolarHBondContact O-CG2 3.26Å; P25-T29 PolarHBondContact O-N 2.97Å; P25-T29 PolarHBondContact O-OG1 3.38Å; L27-T29 VanDerWaalsContact C-N 3.26Å; L27-T29 PolarHBondContact O-N 2.79Å; T29-R31 VanDerWaalsContact C-N 3.33Å; T29-R31 PolarHBondContact O-N 3.32Å; T29-R31 WeakPolarHBondContact OG1-CG 3.34Å; T29-W159 HydrophobicContact CG2-CZ3 4.05Å
30	Q	91.2	Very high	92.8	Very high	162 Å²	162	63.9 Å²	63.9	76%	0.757	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	50.7	-174.5	-62	-70.5	-68.8	0	0	111.7	E26 L27	E26-Q30 VanDerWaalsContact O-CA 3.32Å; E26-Q30 WeakPolarHBondContact O-CA 3.42Å; E26-Q30 PolarHBondContact O-N 3.47Å; L27-Q30 PolarHBondContact O-N 3.28Å; L27-Q30 PolarHBondContact O-NE2 3.44Å
31	R	89.9	Confident	92.8	Very high	140 Å²	140	63.4 Å²	63.4	53%	0.528	32%	0.323	S	S	.	.			trans	-111.6	150.8	-177.7	-66.5	-60.9	179	-176.7	-2.6	112	E26 T29 D35 L36	E26-R31 PolarHBondContact O-N 3.05Å; T29-R31 VanDerWaalsContact C-N 3.33Å; T29-R31 PolarHBondContact O-N 3.32Å; T29-R31 WeakPolarHBondContact OG1-CG 3.34Å; R31-D35 HydrophobicContact CB-CB 3.94Å; R31-D35 HydrophobicContact CG-CB 4.35Å; R31-L36 HydrophobicContact CB-CD1 4.3Å; R31-L36 HydrophobicContact CB-CG 4.18Å; R31-L36 HydrophobicContact CG-CD1 4.42Å; R31-L36 HydrophobicContact CG-CD2 4.28Å; R31-L36 HydrophobicContact CG-CG 4.27Å
32	E	86.3	Confident	93	Very high	118 Å²	118	60.4 Å²	60.4	55%	0.551	30%	0.304	S	S	*	.			trans	-89.7	159.6	178.5	-68	-64.3	158.7	0	0	111	G34 D35	E32-G34 PolarHBondContact O-N 3Å; E32-D35 PolarHBondContact N-OD2 2.91Å; E32-D35 WeakPolarHBondContact O-CB 3.39Å; E32-D35 PolarHBondContact O-N 2.98Å; E32-D35 VanDerWaalsContact O-N 3.11Å
33	P	83	Confident	93.1	Very high	63 Å²	63	54.6 Å²	54.6	41%	0.409	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	128.1	173.1	-27.4	35.7	0	0	0	112.1	M1 L5	M1-P33 HydrophobicContact CE-CB 4.4Å; M1-P33 HydrophobicContact CE-CG 4Å; L5-P33 HydrophobicContact CD1-CB 4.09Å; L5-P33 VanDerWaalsContact CD1-O 3.22Å; L5-P33 WeakPolarHBondContact CD1-O 3.27Å
34	G	84.9	Confident	93.3	Very high	30 Å²	30	54.7 Å²	54.7	31%	0.309	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	-10.2	-179.3	0	0	0	0	0	115.3	P11 E32	P11-G34 WeakPolarHBondContact CA-O 3.14Å; E32-G34 PolarHBondContact O-N 3Å
35	D	89.4	Confident	93.5	Very high	67 Å²	67	52.4 Å²	52.4	36%	0.358	27%	0.269	S	S	.	.	S	Bend	trans	-74.5	-32.7	175.3	-75.2	-15.7	0	0	0	112.5	P11 R12 R31 E32	P11-D35 WeakPolarHBondContact CA-O 3.42Å; P11-D35 WeakPolarHBondContact CB-O 3.46Å; R12-D35 PolarHBondContact N-O 3.3Å; R31-D35 HydrophobicContact CB-CB 3.94Å; R31-D35 HydrophobicContact CG-CB 4.35Å; E32-D35 PolarHBondContact N-OD2 2.91Å; E32-D35 WeakPolarHBondContact O-CB 3.39Å; E32-D35 PolarHBondContact O-N 2.98Å; E32-D35 VanDerWaalsContact O-N 3.11Å
36	L	95.9	Very high	93.7	Very high	20 Å²	20	52.3 Å²	52.3	11%	0.105	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138.3	-178.3	-57.1	-177.5	0	0	0	111.1	T13 F15 P25 E26 R31 V38	T13-L36 HydrophobicContact CG2-CD2 4.24Å; F15-L36 HydrophobicContact CB-CD1 4.31Å; F15-L36 HydrophobicContact CD2-CD1 4.5Å; F15-L36 HydrophobicContact CG-CD1 4.48Å; P25-L36 HydrophobicContact CB-CD1 3.89Å; E26-L36 HydrophobicContact CG-CD1 4.38Å; R31-L36 HydrophobicContact CB-CD1 4.3Å; R31-L36 HydrophobicContact CB-CG 4.18Å; R31-L36 HydrophobicContact CG-CD1 4.42Å; R31-L36 HydrophobicContact CG-CD2 4.28Å; R31-L36 HydrophobicContact CG-CG 4.27Å; L36-V38 HydrophobicContact CB-CG2 3.73Å
37	F	97.3	Very high	94	Very high	35 Å²	35	49.9 Å²	49.9	15%	0.154	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	122.2	159.6	-166	-103.7	0	0	0	107.5	P11 T13 L14 F15 S59 Y62 A63 L67	P11-F37 HydrophobicContact CB-CB 4.06Å; P11-F37 HydrophobicContact CG-CB 3.76Å; P11-F37 HydrophobicContact CG-CD2 4.42Å; T13-F37 PolarHBondContact O-N 3.43Å; L14-F37 CarbonylContact C-O 3.58Å; L14-F37 VanDerWaalsContact CA-O 3.31Å; L14-F37 WeakPolarHBondContact CA-O 3.36Å; L14-F37 HydrophobicContact CD1-CD1 3.74Å; L14-F37 WeakPolarHBondContact CD1-O 3.26Å; F15-F37 PolarHBondContact N-O 3.11Å; F37-S59 WeakPolarHBondContact CE1-O 3.43Å; F37-Y62 HydrophobicContact CE2-CD1 4.13Å; F37-Y62 HydrophobicContact CE2-CE1 4.41Å; F37-Y62 AromaticContact CZ-CD1 3.9Å; F37-Y62 HydrophobicContact CZ-CD1 3.9Å; F37-A63 HydrophobicContact CD1-CB 3.69Å; F37-A63 HydrophobicContact CE1-CB 4.07Å; F37-A63 HydrophobicContact CG-CB 4.37Å; F37-L67 HydrophobicContact CB-CD1 4.39Å; F37-L67 HydrophobicContact CD2-CD1 3.37Å; F37-L67 HydrophobicContact CE2-CD1 3.68Å; F37-L67 HydrophobicContact CG-CD1 3.89Å; F37-L67 HydrophobicContact CZ-CD1 4.42Å
38	V	97.4	Very high	94.3	Very high	48 Å²	48	47 Å²	47	29%	0.291	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.5	-164.6	178.8	0	0	0	0	111.8	F15 P25 L36 R40	F15-V38 WeakPolarHBondContact O-CA 3.46Å; P25-V38 HydrophobicContact CB-CG2 4.47Å; P25-V38 HydrophobicContact CG-CG1 4.04Å; L36-V38 HydrophobicContact CB-CG2 3.73Å; V38-R40 HydrophobicContact CG1-CG 3.68Å
39	I	98.3	Very high	94.5	Very high	15 Å²	15	50.7 Å²	50.7	8%	0.077	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.9	167.6	-60.2	173.4	0	0	0	108	L14 F15 I16 S17 V56 S59 V60	L14-I39 HydrophobicContact CD1-CD1 3.72Å; L14-I39 HydrophobicContact CD1-CG1 3.83Å; F15-I39 PolarHBondContact O-N 3Å; I16-I39 WeakPolarHBondContact CA-O 3.35Å; I16-I39 HydrophobicContact CD1-CD1 4.33Å; I16-I39 HydrophobicContact CG1-CB 4.23Å; I16-I39 HydrophobicContact CG1-CD1 4.26Å; I16-I39 HydrophobicContact CG2-CB 4.34Å; I16-I39 HydrophobicContact CG2-CG2 4.39Å; S17-I39 PolarHBondContact N-O 3.38Å; I39-V56 HydrophobicContact CD1-CG1 4.49Å; I39-V56 HydrophobicContact CG2-CG2 4.19Å; I39-S59 VanDerWaalsContact CD1-CB 3.5Å; I39-V60 HydrophobicContact CD1-CG2 4.06Å
40	R	98.3	Very high	94.6	Very high	98 Å²	98	50.5 Å²	50.5	37%	0.37	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.8	176.2	-58.2	-174.7	66.1	-164.8	-2.2	111	S17 C18 S19 D20 L23 V38	S17-R40 WeakPolarHBondContact O-CA 3.27Å; C18-R40 PolarHBondContact O-NE 2.85Å; C18-R40 VanDerWaalsContact O-NE 3.13Å; C18-R40 PolarHBondContact O-NH2 2.59Å; C18-R40 VanDerWaalsContact O-NH2 3.09Å; S19-R40 PolarHBondContact O-NH2 3.5Å; D20-R40 PolarHBondContact O-NH2 3.26Å; L23-R40 PolarHBondContact O-NH2 3.05Å; V38-R40 HydrophobicContact CG1-CG 3.68Å
41	N	98.4	Very high	94.5	Very high	18 Å²	18	49.2 Å²	49.2	10%	0.096	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	168.9	174.5	62.2	53.4	0	0	0	110.6	S17 C18 S19 G43 N44 I45 W101	S17-N41 PolarHBondContact O-N 3.15Å; C18-N41 CarbonylContact C-O 3.51Å; C18-N41 WeakPolarHBondContact CA-O 3.27Å; S19-N41 PolarHBondContact N-O 3.5Å; S19-N41 WeakPolarHBondContact OG-CA 3.35Å; S19-N41 PolarHBondContact OG-N 3.2Å; N41-G43 PolarHBondContact O-N 3.05Å; N41-G43 VanDerWaalsContact O-N 3.1Å; N41-N44 PolarHBondContact O-N 2.85Å; N41-N44 WeakPolarHBondContact OD1-CA 3.4Å; N41-N44 PolarHBondContact OD1-N 3.45Å; N41-I45 PolarHBondContact ND2-O 2.92Å; N41-I45 PolarHBondContact OD1-N 3.33Å; N41-W101 HydrophobicContact CB-CZ2 3.92Å; N41-W101 VanDerWaalsContact CG-CZ2 3.42Å
42	A	98	Very high	94.4	Very high	40 Å²	40	51 Å²	51	33%	0.331	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	114.6	177.2	0	0	0	0	0	110.6	W101	A42-W101 PolarHBondContact O-NE1 2.76Å
43	G	98.2	Very high	94	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	14.8	177.3	0	0	0	0	0	115.9	C18 N41 I45 N131	C18-G43 PolarHBondContact SG-N 3.22Å; N41-G43 PolarHBondContact O-N 3.05Å; N41-G43 VanDerWaalsContact O-N 3.1Å; G43-I45 WeakPolarHBondContact O-CG1 3.37Å; G43-I45 PolarHBondContact O-N 2.87Å; G43-I45 VanDerWaalsContact O-N 3.12Å; G43-N131 PolarHBondContact O-ND2 3.12Å
44	N	98.7	Very high	94.5	Very high	1 Å²	1	48 Å²	48	1%	0.005	28%	0.281	C	S	.	.	S	Bend	trans	50.3	38.5	177	59	-94.9	0	0	0	113.4	S17 N41 C75 G76 N131	S17-N44 VanDerWaalsContact C-CB 3.47Å; N41-N44 PolarHBondContact O-N 2.85Å; N41-N44 WeakPolarHBondContact OD1-CA 3.4Å; N41-N44 PolarHBondContact OD1-N 3.45Å; N44-C75 PolarHBondContact OD1-O 3.48Å; N44-G76 WeakPolarHBondContact OD1-CA 3.49Å; N44-N131 PolarHBondContact ND2-ND2 2.86Å
45	I	98.7	Very high	95	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	30%	0.295	C	S	.	.			trans	-83.3	139.1	-172.5	-73.4	176.4	0	0	0	110.4	N41 G43 M83 W101 L102 Y104 A105	N41-I45 PolarHBondContact ND2-O 2.92Å; N41-I45 PolarHBondContact OD1-N 3.33Å; G43-I45 WeakPolarHBondContact O-CG1 3.37Å; G43-I45 PolarHBondContact O-N 2.87Å; G43-I45 VanDerWaalsContact O-N 3.12Å; I45-M83 HydrophobicContact CD1-CE 4.32Å; I45-W101 HydrophobicContact CB-CH2 4.39Å; I45-W101 HydrophobicContact CB-CZ2 3.51Å; I45-W101 HydrophobicContact CG2-CH2 3.99Å; I45-W101 HydrophobicContact CG2-CZ2 3.53Å; I45-L102 HydrophobicContact CD1-CD2 3.79Å; I45-Y104 VanDerWaalsContact CG2-CB 3.44Å; I45-Y104 HydrophobicContact CG2-CD2 4.32Å; I45-Y104 HydrophobicContact CG2-CG 4.27Å; I45-A105 HydrophobicContact CD1-CB 4.02Å
46	V	98.4	Very high	95.4	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.283	C	S	.	.			trans	-121.9	110	169.8	-179.9	0	0	0	0	107.4	I16 V56 I74 Q135 N138 L139	I16-V46 HydrophobicContact CD1-CG2 3.67Å; I16-V46 HydrophobicContact CG2-CG2 3.99Å; V46-V56 HydrophobicContact CB-CG1 4.35Å; V46-V56 HydrophobicContact CG1-CG1 4.12Å; V46-V56 HydrophobicContact CG2-CG1 4.14Å; V46-I74 HydrophobicContact CG2-CD1 3.72Å; V46-Q135 HydrophobicContact CB-CB 4.48Å; V46-Q135 PolarHBondContact O-OE1 3.29Å; V46-N138 WeakPolarHBondContact O-CB 3.27Å; V46-N138 PolarHBondContact O-ND2 2.73Å; V46-L139 HydrophobicContact CB-CG 4.49Å; V46-L139 HydrophobicContact CG1-CD2 3.95Å; V46-L139 HydrophobicContact CG1-CG 4.11Å; V46-L139 HydrophobicContact CG2-CD2 4.43Å; V46-L139 HydrophobicContact CG2-CG 4.37Å
47	P	97.6	Very high	95.5	Very high	12 Å²	12	46.5 Å²	46.5	8%	0.078	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-54.7	146.3	172.7	-27.2	36.9	0	0	0	111.5	W101 Y104 H142	P47-W101 HydrophobicContact CG-CH2 3.94Å; P47-W101 HydrophobicContact CG-CZ3 3.84Å; P47-Y104 HydrophobicContact CB-CD1 3.69Å; P47-Y104 HydrophobicContact CB-CD2 4.27Å; P47-Y104 HydrophobicContact CB-CE1 3.64Å; P47-Y104 HydrophobicContact CB-CE2 4.23Å; P47-Y104 HydrophobicContact CB-CG 4.02Å; P47-Y104 HydrophobicContact CG-CD1 4.14Å; P47-Y104 HydrophobicContact CG-CD2 3.78Å; P47-Y104 HydrophobicContact CG-CE1 4.14Å; P47-Y104 HydrophobicContact CG-CE2 3.79Å; P47-Y104 HydrophobicContact CG-CG 3.97Å; P47-H142 PolarHBondContact O-NE2 2.64Å
48	S	96.9	Very high	95.5	Very high	57 Å²	57	47.3 Å²	47.3	40%	0.399	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-58.6	151.8	164.1	52.7	0	0	0	0	109.9	G50	S48-G50 PolarHBondContact O-N 3.16Å
49	Y	96.9	Very high	95.5	Very high	111 Å²	111	47 Å²	47	44%	0.435	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-62	133.8	175.1	-171.7	-98.8	0	0	0	109.7	T141 P143	Y49-T141 VanDerWaalsContact CB-O 3.26Å; Y49-T141 WeakPolarHBondContact CB-O 3.46Å; Y49-T141 PolarHBondContact N-OG1 2.79Å; Y49-P143 HydrophobicContact CD1-CG 4.25Å; Y49-P143 VanDerWaalsContact CD2-CD 3.43Å; Y49-P143 HydrophobicContact CD2-CG 4.33Å; Y49-P143 HydrophobicContact CE1-CG 3.97Å; Y49-P143 HydrophobicContact CE2-CG 4.06Å; Y49-P143 HydrophobicContact CG-CG 4.42Å
50	G	93.7	Very high	95.5	Very high	26 Å²	26	46.3 Å²	46.3	27%	0.268	29%	0.291	S	S	.	.			trans	-153.9	176.8	-174.2	0	0	0	0	0	111	S48 E52	S48-G50 PolarHBondContact O-N 3.16Å; G50-E52 PolarHBondContact O-N 3.09Å
51	P	89.2	Confident	95.5	Very high	135 Å²	135	46.4 Å²	46.4	88%	0.877	30%	0.296	S	S	*	.	S	Bend	trans	-64.7	-24.8	-172	25.9	-34.9	0	0	0	113.8	P53	P51-P53 VanDerWaalsContact O-CD 3.28Å; P51-P53 WeakPolarHBondContact O-CD 3.31Å
52	E	86.4	Confident	95.5	Very high	177 Å²	177	50.8 Å²	50.8	83%	0.827	31%	0.312	S	S	*	.	S	Bend	trans	-116.9	82.9	-179.6	-65.1	-176.7	175.7	0	0	109.7	G50 G54	G50-E52 PolarHBondContact O-N 3.09Å; E52-G54 PolarHBondContact O-N 3.43Å
53	P	78.6	Confident	95.5	Very high	75 Å²	75	48.9 Å²	48.9	49%	0.487	30%	0.296	S	S	.	.			trans	-67	117.9	179.4	26.3	-32.6	0	0	0	110.4	P51	P51-P53 VanDerWaalsContact O-CD 3.28Å; P51-P53 WeakPolarHBondContact O-CD 3.31Å
54	G	92.4	Very high	95.5	Very high	43 Å²	43	49 Å²	49	44%	0.443	30%	0.296	S	S	.	.			trans	-79	-177.7	172.6	0	0	0	0	0	112.9	E52 V56 S57 A58	E52-G54 PolarHBondContact O-N 3.43Å; G54-V56 PolarHBondContact O-N 3.35Å; G54-V56 VanDerWaalsContact O-N 3.14Å; G54-S57 PolarHBondContact O-N 3.4Å; G54-A58 PolarHBondContact O-N 3.31Å; G54-A58 VanDerWaalsContact O-N 3.12Å
55	G	96.4	Very high	95.4	Very high	57 Å²	57	51.9 Å²	51.9	59%	0.588	32%	0.321	S	S	*	.	H	α-helix	trans	-55.4	-34.1	-178.7	0	0	0	0	0	114.2	S59	G55-S59 WeakPolarHBondContact O-CB 3.42Å; G55-S59 PolarHBondContact O-N 2.68Å; G55-S59 PolarHBondContact O-OG 3.05Å; G55-S59 VanDerWaalsContact O-OG 3.08Å
56	V	97.6	Very high	95.3	Very high	19 Å²	19	54.6 Å²	54.6	12%	0.115	34%	0.343	C	S	.	.	H	α-helix	trans	-64	-48.2	176.1	178.4	0	0	0	0	111.5	I39 V46 G54 A58 S59 V60 W101	I39-V56 HydrophobicContact CD1-CG1 4.49Å; I39-V56 HydrophobicContact CG2-CG2 4.19Å; V46-V56 HydrophobicContact CB-CG1 4.35Å; V46-V56 HydrophobicContact CG1-CG1 4.12Å; V46-V56 HydrophobicContact CG2-CG1 4.14Å; G54-V56 PolarHBondContact O-N 3.35Å; G54-V56 VanDerWaalsContact O-N 3.14Å; V56-A58 PolarHBondContact O-N 2.98Å; V56-S59 PolarHBondContact O-N 2.88Å; V56-V60 HydrophobicContact CG1-CG2 4.37Å; V56-V60 VanDerWaalsContact O-CG2 3.27Å; V56-V60 WeakPolarHBondContact O-CG2 3.37Å; V56-V60 PolarHBondContact O-N 2.97Å; V56-W101 HydrophobicContact CG2-CH2 3.9Å
57	S	97.4	Very high	95.3	Very high	9 Å²	9	56 Å²	56	6%	0.063	35%	0.35	C	S	.	.	H	α-helix	trans	-62.2	-43.8	179.3	-50.8	0	0	0	0	111.6	G54 S59 V60 E61 H142	G54-S57 PolarHBondContact O-N 3.4Å; S57-S59 PolarHBondContact O-N 2.86Å; S57-V60 PolarHBondContact O-N 3.21Å; S57-E61 PolarHBondContact O-N 3.14Å; S57-H142 PolarHBondContact OG-CE1 3.37Å
58	A	97.7	Very high	95.2	Very high	53 Å²	53	65 Å²	65	44%	0.438	38%	0.382	S	S	.	.	H	α-helix	trans	-62.6	-43	177.2	0	0	0	0	0	112.1	G54 V56 E61 Y62	G54-A58 PolarHBondContact O-N 3.31Å; G54-A58 VanDerWaalsContact O-N 3.12Å; V56-A58 PolarHBondContact O-N 2.98Å; A58-E61 PolarHBondContact O-N 3.26Å; A58-Y62 WeakPolarHBondContact O-CB 3.45Å; A58-Y62 PolarHBondContact O-N 2.93Å
59	S	98.2	Very high	95.3	Very high	42 Å²	42	62.3 Å²	62.3	29%	0.294	36%	0.364	S	S	.	.	H	α-helix	trans	-68.3	-37.3	177.5	-67.6	0	0	0	0	112.9	F37 I39 G55 V56 S57 Y62 A63	F37-S59 WeakPolarHBondContact CE1-O 3.43Å; I39-S59 VanDerWaalsContact CD1-CB 3.5Å; G55-S59 WeakPolarHBondContact O-CB 3.42Å; G55-S59 PolarHBondContact O-N 2.68Å; G55-S59 PolarHBondContact O-OG 3.05Å; G55-S59 VanDerWaalsContact O-OG 3.08Å; V56-S59 PolarHBondContact O-N 2.88Å; S57-S59 PolarHBondContact O-N 2.86Å; S59-Y62 PolarHBondContact O-N 3.31Å; S59-A63 WeakPolarHBondContact O-CB 3.37Å; S59-A63 PolarHBondContact O-N 3.24Å
60	V	98.6	Very high	95.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-60	-49.1	172.1	167.9	0	0	0	0	110	L14 I16 I39 V56 S57 Y62 A63 V64 L139 V145	L14-V60 HydrophobicContact CD2-CB 4.41Å; L14-V60 HydrophobicContact CD2-CG2 4.02Å; I16-V60 HydrophobicContact CD1-CG2 4.14Å; I39-V60 HydrophobicContact CD1-CG2 4.06Å; V56-V60 HydrophobicContact CG1-CG2 4.37Å; V56-V60 VanDerWaalsContact O-CG2 3.27Å; V56-V60 WeakPolarHBondContact O-CG2 3.37Å; V56-V60 PolarHBondContact O-N 2.97Å; S57-V60 PolarHBondContact O-N 3.21Å; V60-Y62 PolarHBondContact O-N 2.87Å; V60-A63 PolarHBondContact O-N 3.21Å; V60-V64 WeakPolarHBondContact O-CG2 3.39Å; V60-V64 PolarHBondContact O-N 3.15Å; V60-L139 HydrophobicContact CG1-CD2 3.96Å; V60-L139 HydrophobicContact CG2-CD2 3.99Å; V60-V145 HydrophobicContact CG1-CG2 3.52Å
61	E	98	Very high	95.5	Very high	99 Å²	99	59.7 Å²	59.7	46%	0.463	35%	0.354	S	S	.	.	H	α-helix	trans	-61.1	-44.9	178.7	-178.8	169.8	-96	0	0	112.1	S57 A58 A63 V64 A65	S57-E61 PolarHBondContact O-N 3.14Å; A58-E61 PolarHBondContact O-N 3.26Å; E61-A63 PolarHBondContact O-N 2.9Å; E61-V64 PolarHBondContact O-N 3.45Å; E61-A65 HydrophobicContact CG-CB 4.43Å; E61-A65 VanDerWaalsContact O-CB 3.26Å; E61-A65 WeakPolarHBondContact O-CB 3.41Å; E61-A65 PolarHBondContact O-N 3.28Å
62	Y	98	Very high	95.9	Very high	111 Å²	111	53.3 Å²	53.3	44%	0.435	31%	0.313	S	S	.	.	I	π-helix	trans	-60	-45.2	177.4	-170.7	-96.8	0	0	0	112	F37 A58 S59 V60 V64 A66 L67	F37-Y62 HydrophobicContact CE2-CD1 4.13Å; F37-Y62 HydrophobicContact CE2-CE1 4.41Å; F37-Y62 AromaticContact CZ-CD1 3.9Å; F37-Y62 HydrophobicContact CZ-CD1 3.9Å; A58-Y62 WeakPolarHBondContact O-CB 3.45Å; A58-Y62 PolarHBondContact O-N 2.93Å; S59-Y62 PolarHBondContact O-N 3.31Å; V60-Y62 PolarHBondContact O-N 2.87Å; Y62-V64 VanDerWaalsContact C-N 3.34Å; Y62-V64 PolarHBondContact O-N 3.48Å; Y62-A66 HydrophobicContact CD2-CB 3.75Å; Y62-A66 HydrophobicContact CE2-CB 3.72Å; Y62-A66 HydrophobicContact CG-CB 4.19Å; Y62-A66 WeakPolarHBondContact O-CA 3.29Å; Y62-A66 VanDerWaalsContact O-CB 3.27Å; Y62-A66 WeakPolarHBondContact O-CB 3.22Å; Y62-A66 PolarHBondContact O-N 2.94Å; Y62-L67 HydrophobicContact CD1-CD1 3.9Å; Y62-L67 HydrophobicContact CD1-CD2 4.48Å; Y62-L67 HydrophobicContact CD1-CG 3.86Å; Y62-L67 HydrophobicContact CE1-CD1 3.78Å; Y62-L67 HydrophobicContact CE1-CD2 3.73Å; Y62-L67 HydrophobicContact CE1-CG 3.62Å; Y62-L67 PolarHBondContact O-N 3.31Å
63	A	98.3	Very high	96.5	Very high	0 Å²	0	45 Å²	45	0%	0	28%	0.275	C	S	.	.	I	π-helix	trans	-60.2	-44.2	177.8	0	0	0	0	0	112	L14 F37 S59 V60 E61 L67 R68 V69	L14-A63 HydrophobicContact CB-CB 4.03Å; L14-A63 HydrophobicContact CD1-CB 4.38Å; L14-A63 HydrophobicContact CD2-CB 3.93Å; L14-A63 HydrophobicContact CG-CB 4.32Å; F37-A63 HydrophobicContact CD1-CB 3.69Å; F37-A63 HydrophobicContact CE1-CB 4.07Å; F37-A63 HydrophobicContact CG-CB 4.37Å; S59-A63 WeakPolarHBondContact O-CB 3.37Å; S59-A63 PolarHBondContact O-N 3.24Å; V60-A63 PolarHBondContact O-N 3.21Å; E61-A63 PolarHBondContact O-N 2.9Å; A63-L67 CarbonylContact O-C 3.48Å; A63-L67 WeakPolarHBondContact O-CB 3.47Å; A63-R68 PolarHBondContact O-N 3.23Å; A63-V69 HydrophobicContact CB-CG1 4.14Å; A63-V69 HydrophobicContact CB-CG2 4.14Å; A63-V69 WeakPolarHBondContact O-CG2 3.34Å; A63-V69 PolarHBondContact O-N 3.04Å; A63-V69 VanDerWaalsContact O-N 3.11Å
64	V	98.2	Very high	97.5	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	25%	0.251	C	S	.	.	I	π-helix	trans	-78.8	-46.4	-175.1	177.2	0	0	0	0	112.4	V60 E61 Y62 R68 V69 I72 S144 V145 A148	V60-V64 WeakPolarHBondContact O-CG2 3.39Å; V60-V64 PolarHBondContact O-N 3.15Å; E61-V64 PolarHBondContact O-N 3.45Å; Y62-V64 VanDerWaalsContact C-N 3.34Å; Y62-V64 PolarHBondContact O-N 3.48Å; V64-R68 WeakPolarHBondContact O-CA 3.23Å; V64-V69 HydrophobicContact CG2-CG2 4.24Å; V64-I72 HydrophobicContact CG2-CD1 3.72Å; V64-S144 WeakPolarHBondContact CG1-O 3.46Å; V64-V145 HydrophobicContact CG2-CG2 4.14Å; V64-A148 HydrophobicContact CG1-CB 3.66Å
65	A	97.2	Very high	97.8	Very high	63 Å²	63	39.4 Å²	39.4	52%	0.521	23%	0.23	S	C	.	.	I	π-helix	trans	-87.7	-43.4	-172.5	0	0	0	0	0	112.8	E61	E61-A65 HydrophobicContact CG-CB 4.43Å; E61-A65 VanDerWaalsContact O-CB 3.26Å; E61-A65 WeakPolarHBondContact O-CB 3.41Å; E61-A65 PolarHBondContact O-N 3.28Å
66	A	96.5	Very high	97.9	Very high	56 Å²	56	36.7 Å²	36.7	46%	0.463	20%	0.202	S	C	.	.	I	π-helix	trans	-89.4	-49.6	-176.8	0	0	0	0	0	112	Y62	Y62-A66 HydrophobicContact CD2-CB 3.75Å; Y62-A66 HydrophobicContact CE2-CB 3.72Å; Y62-A66 HydrophobicContact CG-CB 4.19Å; Y62-A66 WeakPolarHBondContact O-CA 3.29Å; Y62-A66 VanDerWaalsContact O-CB 3.27Å; Y62-A66 WeakPolarHBondContact O-CB 3.22Å; Y62-A66 PolarHBondContact O-N 2.94Å
67	L	96.9	Very high	97.9	Very high	29 Å²	29	35.8 Å²	35.8	15%	0.152	20%	0.197	C	C	.	.	S	Bend	trans	-84.5	-16.8	-177.6	-56.8	-178	0	0	0	113.5	Q9 P11 F37 Y62 A63 V69	Q9-L67 HydrophobicContact CG-CD2 3.91Å; P11-L67 HydrophobicContact CG-CB 4.49Å; P11-L67 HydrophobicContact CG-CD1 3.71Å; F37-L67 HydrophobicContact CB-CD1 4.39Å; F37-L67 HydrophobicContact CD2-CD1 3.37Å; F37-L67 HydrophobicContact CE2-CD1 3.68Å; F37-L67 HydrophobicContact CG-CD1 3.89Å; F37-L67 HydrophobicContact CZ-CD1 4.42Å; Y62-L67 HydrophobicContact CD1-CD1 3.9Å; Y62-L67 HydrophobicContact CD1-CD2 4.48Å; Y62-L67 HydrophobicContact CD1-CG 3.86Å; Y62-L67 HydrophobicContact CE1-CD1 3.78Å; Y62-L67 HydrophobicContact CE1-CD2 3.73Å; Y62-L67 HydrophobicContact CE1-CG 3.62Å; Y62-L67 PolarHBondContact O-N 3.31Å; A63-L67 CarbonylContact O-C 3.48Å; A63-L67 WeakPolarHBondContact O-CB 3.47Å; L67-V69 VanDerWaalsContact C-N 3.3Å; L67-V69 HydrophobicContact CB-CG1 4.43Å; L67-V69 PolarHBondContact O-N 3.26Å
68	R	97.1	Very high	98	Very high	201 Å²	201	36.3 Å²	36.3	76%	0.758	20%	0.2	S	C	*	.			trans	54.4	44.4	179.3	-53.9	179.9	-179.5	-165.3	-0.8	112.4	A63 V64	A63-R68 PolarHBondContact O-N 3.23Å; V64-R68 WeakPolarHBondContact O-CA 3.23Å
69	V	97.7	Very high	97.9	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.012	21%	0.21	C	C	.	.			trans	-53.9	144.9	171.1	-61.2	0	0	0	0	109.9	R12 L14 A63 V64 L67 I72 I154	R12-V69 CarbonylContact O-C 3.59Å; R12-V69 WeakPolarHBondContact O-CA 3.32Å; R12-V69 WeakPolarHBondContact O-CB 3.22Å; L14-V69 HydrophobicContact CB-CG2 4.16Å; A63-V69 HydrophobicContact CB-CG1 4.14Å; A63-V69 HydrophobicContact CB-CG2 4.14Å; A63-V69 WeakPolarHBondContact O-CG2 3.34Å; A63-V69 PolarHBondContact O-N 3.04Å; A63-V69 VanDerWaalsContact O-N 3.11Å; V64-V69 HydrophobicContact CG2-CG2 4.24Å; L67-V69 VanDerWaalsContact C-N 3.3Å; L67-V69 HydrophobicContact CB-CG1 4.43Å; L67-V69 PolarHBondContact O-N 3.26Å; V69-I72 HydrophobicContact CG2-CG1 4.4Å; V69-I154 WeakPolarHBondContact O-CG2 3.45Å
70	S	96.9	Very high	97.9	Very high	39 Å²	39	37.6 Å²	37.6	27%	0.273	20%	0.196	S	C	.	.	S	Bend	trans	-95.5	-16.1	176.2	54.9	0	0	0	0	112.8	R12 I154 A155	R12-S70 PolarHBondContact O-N 3.2Å; R12-S70 PolarHBondContact O-OG 3.43Å; S70-I154 CarbonylContact O-C 3.6Å; S70-I154 VanDerWaalsContact O-CA 3.23Å; S70-I154 WeakPolarHBondContact O-CA 3.25Å; S70-A155 PolarHBondContact O-N 3.46Å
71	D	98	Very high	97.9	Very high	43 Å²	43	39.9 Å²	39.9	23%	0.23	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	137.1	-173.7	-63.7	-90.8	0	0	0	110.3	R12 T13 L14 H157	R12-D71 PolarHBondContact O-N 2.95Å; T13-D71 CarbonylContact C-O 3.53Å; T13-D71 VanDerWaalsContact CA-O 3.3Å; T13-D71 WeakPolarHBondContact CA-O 3.46Å; T13-D71 HydrophobicContact CG2-CB 3.97Å; L14-D71 PolarHBondContact N-O 3.22Å; D71-H157 IonicContact OD1-CD2 3.77Å; D71-H157 IonicContact OD1-CE1 2.78Å; D71-H157 IonicContact OD1-NE2 3.92Å; D71-H157 PolarHBondContact OD1-NE2 2.92Å
72	I	98.6	Very high	97.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.1	168.6	-51.1	-179.5	0	0	0	108.5	L14 I16 V64 V69 L139 V145 I154 A155 L156 H157	L14-I72 HydrophobicContact CB-CG1 4.28Å; L14-I72 HydrophobicContact CB-CG2 4.33Å; L14-I72 HydrophobicContact CD2-CD1 4.33Å; L14-I72 HydrophobicContact CD2-CG1 4.32Å; L14-I72 HydrophobicContact CD2-CG2 3.89Å; L14-I72 HydrophobicContact CG-CG2 4.06Å; L14-I72 CarbonylContact O-C 3.56Å; L14-I72 WeakPolarHBondContact O-CA 3.46Å; I16-I72 HydrophobicContact CD1-CG2 4.18Å; V64-I72 HydrophobicContact CG2-CD1 3.72Å; V69-I72 HydrophobicContact CG2-CG1 4.4Å; I72-L139 HydrophobicContact CG2-CD1 3.68Å; I72-L139 HydrophobicContact CG2-CD2 4.35Å; I72-V145 HydrophobicContact CD1-CG2 4.1Å; I72-I154 HydrophobicContact CD1-CD1 3.96Å; I72-A155 PolarHBondContact N-O 3.05Å; I72-L156 HydrophobicContact CB-CD2 3.8Å; I72-L156 HydrophobicContact CD1-CD2 3.94Å; I72-L156 HydrophobicContact CG1-CD2 4.12Å; I72-L156 WeakPolarHBondContact O-CA 3.36Å; I72-H157 PolarHBondContact O-N 2.96Å
73	V	98.7	Very high	97.9	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.024	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.3	177.7	-176.2	0	0	0	0	109.3	T13 L14 F15 I16 C75 H157 W159	T13-V73 HydrophobicContact CG2-CG2 3.77Å; L14-V73 PolarHBondContact O-N 2.99Å; F15-V73 HydrophobicContact CD2-CB 3.81Å; F15-V73 HydrophobicContact CD2-CG1 4.01Å; F15-V73 HydrophobicContact CD2-CG2 4.13Å; F15-V73 HydrophobicContact CE2-CB 4.05Å; F15-V73 HydrophobicContact CE2-CG1 3.71Å; F15-V73 HydrophobicContact CE2-CG2 4.4Å; F15-V73 HydrophobicContact CG-CB 4.4Å; F15-V73 HydrophobicContact CZ-CG1 4.21Å; I16-V73 PolarHBondContact N-O 2.83Å; V73-C75 HydrophobicContact CG1-CB 4.27Å; V73-H157 WeakPolarHBondContact CA-O 3.33Å; V73-H157 HydrophobicContact CB-CB 4.45Å; V73-H157 HydrophobicContact CG1-CB 4.45Å; V73-H157 HydrophobicContact CG2-CB 4.03Å; V73-W159 HydrophobicContact CG1-CB 4.36Å; V73-W159 HydrophobicContact CG1-CD2 3.73Å; V73-W159 HydrophobicContact CG1-CE3 3.84Å; V73-W159 HydrophobicContact CG1-CG 4Å; V73-W159 HydrophobicContact CG1-CZ3 4.4Å
74	I	98.8	Very high	97.9	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	116	159	-60.3	-57.7	0	0	0	107.5	I16 V46 V132 Q135 L136 L139 H157 G158 W159	I16-I74 HydrophobicContact CB-CD1 3.8Å; I16-I74 HydrophobicContact CD1-CD1 3.71Å; I16-I74 HydrophobicContact CG1-CD1 4.22Å; I16-I74 HydrophobicContact CG2-CD1 4.05Å; V46-I74 HydrophobicContact CG2-CD1 3.72Å; I74-V132 HydrophobicContact CB-CG1 4.42Å; I74-V132 HydrophobicContact CG2-CB 4.35Å; I74-V132 HydrophobicContact CG2-CG1 4.13Å; I74-V132 HydrophobicContact CG2-CG2 4.23Å; I74-Q135 HydrophobicContact CD1-CB 4.18Å; I74-Q135 HydrophobicContact CG1-CB 4.15Å; I74-Q135 HydrophobicContact CG2-CB 4.01Å; I74-L136 HydrophobicContact CG1-CD2 4.18Å; I74-L136 HydrophobicContact CG1-CG 4.29Å; I74-L139 HydrophobicContact CD1-CD1 3.58Å; I74-L139 HydrophobicContact CD1-CG 4.32Å; I74-L139 HydrophobicContact CG1-CD1 3.71Å; I74-H157 PolarHBondContact N-O 3.2Å; I74-G158 CarbonylContact O-C 3.59Å; I74-W159 PolarHBondContact O-N 3.23Å
75	C	98.7	Very high	97.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	103.3	178.9	-172.2	0	0	0	0	110.9	F15 I16 N44 V73 W159	F15-C75 HydrophobicContact CD1-CB 4.38Å; F15-C75 HydrophobicContact CE1-CB 3.42Å; F15-C75 VanDerWaalsContact CE1-CB 3.42Å; F15-C75 HydrophobicContact CE2-CB 4.45Å; F15-C75 HydrophobicContact CZ-CB 3.46Å; F15-C75 VanDerWaalsContact CZ-CB 3.46Å; I16-C75 PolarHBondContact O-N 3.4Å; N44-C75 PolarHBondContact OD1-O 3.48Å; V73-C75 HydrophobicContact CG1-CB 4.27Å; C75-W159 CarbonylContact C-O 3.52Å; C75-W159 WeakPolarHBondContact CA-O 3.4Å; C75-W159 HydrophobicContact CB-CB 4.46Å
76	G	98.7	Very high	98	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	171.5	162.6	0	0	0	0	0	111.7	N44 W159 V160 Y161	N44-G76 WeakPolarHBondContact OD1-CA 3.49Å; G76-W159 PolarHBondContact N-O 3.36Å; G76-V160 WeakPolarHBondContact O-CA 3.39Å; G76-Y161 PolarHBondContact O-N 2.91Å
77	H	98.7	Very high	98	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	157.4	177.5	67.7	92.7	0	0	0	113.3	C18 D20 L23 C80 V128 Y161 I163	C18-H77 WeakPolarHBondContact CB-CD2 3.38Å; C18-H77 WeakPolarHBondContact CB-NE2 3.4Å; C18-H77 PolarHBondContact SG-NE2 3.16Å; C18-H77 VanDerWaalsContact SG-NE2 3.35Å; D20-H77 WeakPolarHBondContact CB-NE2 3.41Å; D20-H77 VanDerWaalsContact CG-CE1 3.49Å; D20-H77 IonicContact OD2-CE1 3.3Å; D20-H77 PolarHBondContact OD2-CE1 3.2Å; D20-H77 IonicContact OD2-NE2 3.68Å; L23-H77 HydrophobicContact CD2-CB 4.21Å; H77-C80 WeakPolarHBondContact CE1-CA 3.19Å; H77-C80 PolarHBondContact NE2-SG 2.98Å; H77-V128 WeakPolarHBondContact O-CG1 3.09Å; H77-V128 WeakPolarHBondContact O-CG2 3.32Å; H77-Y161 CarbonylContact C-O 3.46Å; H77-Y161 WeakPolarHBondContact CA-O 3.35Å; H77-Y161 WeakPolarHBondContact CB-O 3.19Å; H77-I163 HydrophobicContact CB-CD1 4.37Å; H77-I163 HydrophobicContact CB-CG1 4.43Å; H77-I163 WeakPolarHBondContact ND1-CD1 3.3Å
78	S	98.1	Very high	98	Very high	20 Å²	20	29.1 Å²	29.1	14%	0.14	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	148.7	174.8	61.1	0	0	0	0	111.6	C80 Y161 D162 I163	S78-C80 VanDerWaalsContact C-N 3.27Å; S78-C80 PolarHBondContact O-N 2.84Å; S78-Y161 PolarHBondContact N-O 3.13Å; S78-D162 VanDerWaalsContact CB-OD2 3.23Å; S78-D162 WeakPolarHBondContact CB-OD2 3.49Å; S78-D162 WeakPolarHBondContact OG-CA 3.47Å; S78-D162 PolarHBondContact OG-OD2 2.87Å; S78-I163 WeakPolarHBondContact O-CD1 3.31Å; S78-I163 PolarHBondContact OG-N 3.18Å
79	N	96.6	Very high	97.9	Very high	120 Å²	120	24.3 Å²	24.3	64%	0.642	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	40.9	-179.7	-58.2	-1.9	0	0	0	113.8	R22 G81	R22-N79 PolarHBondContact NH2-O 2.81Å; N79-G81 PolarHBondContact O-N 2.87Å
80	C	98.5	Very high	97.9	Very high	1 Å²	1	29 Å²	29	1%	0.007	18%	0.183	C	C	.	.			trans	-71.1	113.6	175.7	-177.6	0	0	0	0	111.5	H77 S78 A82 M83 T84 V128	H77-C80 WeakPolarHBondContact CE1-CA 3.19Å; H77-C80 PolarHBondContact NE2-SG 2.98Å; S78-C80 VanDerWaalsContact C-N 3.27Å; S78-C80 PolarHBondContact O-N 2.84Å; C80-A82 VanDerWaalsContact C-N 3.28Å; C80-A82 PolarHBondContact O-N 3.12Å; C80-M83 HydrophobicContact CB-CB 4.11Å; C80-M83 HydrophobicContact CB-CG 4.1Å; C80-M83 PolarHBondContact O-N 3.25Å; C80-T84 PolarHBondContact O-N 2.93Å; C80-T84 PolarHBondContact O-OG1 2.93Å; C80-T84 VanDerWaalsContact O-OG1 3.14Å; C80-V128 HydrophobicContact CB-CG2 4.04Å
81	G	97.8	Very high	97.8	Very high	48 Å²	48	31 Å²	31	50%	0.495	20%	0.197	S	C	.	.	H	α-helix	trans	-55.8	-38.4	-177.5	0	0	0	0	0	114.1	N79 T84 A85	N79-G81 PolarHBondContact O-N 2.87Å; G81-T84 PolarHBondContact O-N 3.24Å; G81-A85 WeakPolarHBondContact O-CB 3.43Å; G81-A85 PolarHBondContact O-N 3.11Å
82	A	98.2	Very high	97.6	Very high	15 Å²	15	30.3 Å²	30.3	12%	0.124	19%	0.192	C	C	.	.	H	α-helix	trans	-62.3	-46.1	175.7	0	0	0	0	0	112.2	C80 A85 I86 L102	C80-A82 VanDerWaalsContact C-N 3.28Å; C80-A82 PolarHBondContact O-N 3.12Å; A82-A85 PolarHBondContact O-N 3.01Å; A82-I86 WeakPolarHBondContact O-CG1 3.42Å; A82-I86 PolarHBondContact O-N 3.29Å; A82-L102 HydrophobicContact CB-CD2 3.81Å
83	M	98.6	Very high	97.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-73.4	-34.6	-179.5	-61.9	-59.2	107.9	0	0	111.9	I45 C80 I86 A87 A105 M127 V128 N131	I45-M83 HydrophobicContact CD1-CE 4.32Å; C80-M83 HydrophobicContact CB-CB 4.11Å; C80-M83 HydrophobicContact CB-CG 4.1Å; C80-M83 PolarHBondContact O-N 3.25Å; M83-I86 HydrophobicContact CE-CD1 3.64Å; M83-I86 PolarHBondContact O-N 3.12Å; M83-I86 HydrophobicContact SD-CD1 4.21Å; M83-A87 VanDerWaalsContact O-CB 3.31Å; M83-A87 WeakPolarHBondContact O-CB 3.23Å; M83-A87 PolarHBondContact O-N 3.22Å; M83-A105 HydrophobicContact CE-CB 4.44Å; M83-M127 HydrophobicContact CB-CB 4.43Å; M83-M127 HydrophobicContact CB-CG 4.04Å; M83-M127 HydrophobicContact SD-CE 3.9Å; M83-M127 HydrophobicContact SD-CG 4.05Å; M83-V128 HydrophobicContact CB-CG2 3.7Å; M83-V128 HydrophobicContact CG-CG2 3.9Å; M83-N131 HydrophobicContact CE-CB 4.47Å; M83-N131 HydrophobicContact CG-CB 4.45Å; M83-N131 HydrophobicContact SD-CB 3.37Å; M83-N131 WeakPolarHBondContact SD-CB 3.49Å
84	T	98.2	Very high	97.3	Very high	50 Å²	50	43.2 Å²	43.2	31%	0.307	26%	0.256	S	S	.	.	H	α-helix	trans	-62	-45.9	171.9	-61	0	0	0	0	111.1	C80 G81 I86 A87 S88	C80-T84 PolarHBondContact O-N 2.93Å; C80-T84 PolarHBondContact O-OG1 2.93Å; C80-T84 VanDerWaalsContact O-OG1 3.14Å; G81-T84 PolarHBondContact O-N 3.24Å; T84-I86 VanDerWaalsContact C-N 3.31Å; T84-I86 PolarHBondContact O-N 2.82Å; T84-A87 PolarHBondContact O-N 3.17Å; T84-S88 WeakPolarHBondContact O-CB 3.34Å; T84-S88 PolarHBondContact O-N 3.49Å; T84-S88 PolarHBondContact O-OG 3.4Å
85	A	97.9	Very high	97.1	Very high	9 Å²	9	46.8 Å²	46.8	7%	0.074	27%	0.274	C	S	.	.	H	α-helix	trans	-60.4	-40.1	178.2	0	0	0	0	0	112.2	G81 A82 S88 C89 Q90 M92	G81-A85 WeakPolarHBondContact O-CB 3.43Å; G81-A85 PolarHBondContact O-N 3.11Å; A82-A85 PolarHBondContact O-N 3.01Å; A85-S88 PolarHBondContact O-OG 2.82Å; A85-C89 PolarHBondContact O-N 2.83Å; A85-Q90 HydrophobicContact CB-CB 4.11Å; A85-Q90 PolarHBondContact O-N 3.15Å; A85-M92 HydrophobicContact CB-SD 4.47Å
86	I	98.1	Very high	97.1	Very high	14 Å²	14	51.2 Å²	51.2	7%	0.072	30%	0.303	C	S	.	.	H	α-helix	trans	-64.3	-51.1	173.4	-65.7	169.1	0	0	0	110.6	A82 M83 T84 S88 C89 L102 A105 R109 M127	A82-I86 WeakPolarHBondContact O-CG1 3.42Å; A82-I86 PolarHBondContact O-N 3.29Å; M83-I86 HydrophobicContact CE-CD1 3.64Å; M83-I86 PolarHBondContact O-N 3.12Å; M83-I86 HydrophobicContact SD-CD1 4.21Å; T84-I86 VanDerWaalsContact C-N 3.31Å; T84-I86 PolarHBondContact O-N 2.82Å; I86-S88 VanDerWaalsContact C-N 3.28Å; I86-S88 PolarHBondContact O-N 2.79Å; I86-C89 PolarHBondContact O-N 2.85Å; I86-L102 HydrophobicContact CD1-CB 4.04Å; I86-L102 HydrophobicContact CD1-CD1 4.35Å; I86-L102 HydrophobicContact CD1-CD2 4.25Å; I86-L102 HydrophobicContact CD1-CG 4.43Å; I86-L102 HydrophobicContact CG1-CB 4.21Å; I86-L102 HydrophobicContact CG1-CD1 4.04Å; I86-A105 HydrophobicContact CD1-CB 3.86Å; I86-R109 HydrophobicContact CG2-CB 3.88Å; I86-R109 HydrophobicContact CG2-CG 3.69Å; I86-M127 HydrophobicContact CB-CE 4.41Å; I86-M127 HydrophobicContact CB-CG 4.45Å; I86-M127 HydrophobicContact CD1-CE 4.04Å; I86-M127 HydrophobicContact CG2-CE 3.79Å; I86-M127 HydrophobicContact CG2-CG 4.31Å; I86-M127 HydrophobicContact CG2-SD 3.88Å
87	A	97.9	Very high	97	Very high	1 Å²	1	55 Å²	55	1%	0.008	34%	0.335	C	S	.	.	H	α-helix	trans	-63.6	-31.7	-175.4	0	0	0	0	0	113.5	M83 T84 K123 A124 M127	M83-A87 VanDerWaalsContact O-CB 3.31Å; M83-A87 WeakPolarHBondContact O-CB 3.23Å; M83-A87 PolarHBondContact O-N 3.22Å; T84-A87 PolarHBondContact O-N 3.17Å; A87-K123 HydrophobicContact CB-CG 4.18Å; A87-K123 WeakPolarHBondContact O-CD 3.49Å; A87-K123 VanDerWaalsContact O-CE 3.31Å; A87-K123 WeakPolarHBondContact O-CE 3.09Å; A87-K123 PolarHBondContact O-NZ 2.88Å; A87-A124 HydrophobicContact CB-CB 4.1Å; A87-M127 HydrophobicContact CB-CB 4.1Å; A87-M127 HydrophobicContact CB-CG 4.4Å
88	S	96.9	Very high	96.9	Very high	44 Å²	44	57.4 Å²	57.4	31%	0.308	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	1.5	179	67.1	0	0	0	0	114.2	T84 A85 I86 Q90	T84-S88 WeakPolarHBondContact O-CB 3.34Å; T84-S88 PolarHBondContact O-N 3.49Å; T84-S88 PolarHBondContact O-OG 3.4Å; A85-S88 PolarHBondContact O-OG 2.82Å; I86-S88 VanDerWaalsContact C-N 3.28Å; I86-S88 PolarHBondContact O-N 2.79Å; S88-Q90 PolarHBondContact O-N 2.88Å
89	C	95.2	Very high	96.8	Very high	101 Å²	101	58.5 Å²	58.5	68%	0.682	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	41.2	-173.1	-60.8	0	0	0	0	112.4	A85 I86 C91	A85-C89 PolarHBondContact O-N 2.83Å; I86-C89 PolarHBondContact O-N 2.85Å; C89-C91 PolarHBondContact O-N 3.49Å
90	Q	95.9	Very high	96.8	Very high	100 Å²	100	58.1 Å²	58.1	47%	0.467	35%	0.35	S	S	.	.			trans	-62.2	135	-177.9	-174.7	173.8	-16.6	0	0	110.8	A85 S88 M92	A85-Q90 HydrophobicContact CB-CB 4.11Å; A85-Q90 PolarHBondContact O-N 3.15Å; S88-Q90 PolarHBondContact O-N 2.88Å; Q90-M92 PolarHBondContact O-N 3.06Å
91	C	94.8	Very high	96.8	Very high	81 Å²	81	60.6 Å²	60.6	55%	0.547	36%	0.36	S	S	.	.			trans	-64.6	127.4	172.5	176.3	0	0	0	0	110.5	C89	C89-C91 PolarHBondContact O-N 3.49Å
92	M	94.5	Very high	96.8	Very high	28 Å²	28	58.7 Å²	58.7	14%	0.138	34%	0.338	C	S	.	.			trans	-122.3	18.9	-176.6	-67.5	-175.4	-71.4	0	0	113.1	A85 Q90 H94 M95 V98 L102	A85-M92 HydrophobicContact CB-SD 4.47Å; Q90-M92 PolarHBondContact O-N 3.06Å; M92-H94 PolarHBondContact O-N 3.36Å; M92-H94 VanDerWaalsContact O-N 3.14Å; M92-M95 CarbonylContact O-C 3.33Å; M92-M95 WeakPolarHBondContact O-CA 3.2Å; M92-M95 PolarHBondContact O-N 2.87Å; M92-V98 HydrophobicContact SD-CG1 4.37Å; M92-L102 HydrophobicContact CE-CD1 3.99Å; M92-L102 HydrophobicContact SD-CD1 3.58Å; M92-L102 VanDerWaalsContact SD-CD1 3.58Å
93	D	94.1	Very high	96.7	Very high	139 Å²	139	65.5 Å²	65.5	74%	0.743	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-29.9	-176.5	-67.2	-10.7	0	0	0	113.1	M95	D93-M95 VanDerWaalsContact C-N 3.26Å; D93-M95 PolarHBondContact O-N 3.36Å
94	H	96	Very high	96.6	Very high	136 Å²	136	69.6 Å²	69.6	63%	0.63	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.7	176.1	66.3	-76.8	0	0	0	113.8	M92	M92-H94 PolarHBondContact O-N 3.36Å; M92-H94 VanDerWaalsContact O-N 3.14Å
95	M	96.6	Very high	96.6	Very high	75 Å²	75	67.2 Å²	67.2	37%	0.369	36%	0.362	S	S	.	.			trans	-131.7	65.9	178.3	-66	-170.2	-73.4	0	0	111.1	M92 D93 A97 V98 S99	M92-M95 CarbonylContact O-C 3.33Å; M92-M95 WeakPolarHBondContact O-CA 3.2Å; M92-M95 PolarHBondContact O-N 2.87Å; D93-M95 VanDerWaalsContact C-N 3.26Å; D93-M95 PolarHBondContact O-N 3.36Å; M95-A97 VanDerWaalsContact C-N 3.29Å; M95-A97 PolarHBondContact O-N 3.1Å; M95-V98 HydrophobicContact CB-CB 3.99Å; M95-V98 HydrophobicContact CB-CG2 4.12Å; M95-V98 PolarHBondContact O-N 3.07Å; M95-V98 HydrophobicContact SD-CG2 4.27Å; M95-S99 PolarHBondContact O-N 2.92Å
96	P	97.1	Very high	96.6	Very high	94 Å²	94	69 Å²	69	61%	0.61	37%	0.371	S	S	*	.	H	α-helix	trans	-59	-36.5	-172.2	22.3	-33.8	0	0	0	113.6	S99 H100	P96-S99 PolarHBondContact O-N 2.86Å; P96-H100 WeakPolarHBondContact O-CB 3.4Å; P96-H100 PolarHBondContact O-N 2.99Å
97	A	96.8	Very high	96.6	Very high	80 Å²	80	72.1 Å²	72.1	66%	0.661	39%	0.393	S	S	*	.	H	α-helix	trans	-64.1	-41.6	176.6	0	0	0	0	0	112.4	M95 W101	M95-A97 VanDerWaalsContact C-N 3.29Å; M95-A97 PolarHBondContact O-N 3.1Å; A97-W101 VanDerWaalsContact O-CB 3.29Å; A97-W101 WeakPolarHBondContact O-CB 3.38Å; A97-W101 PolarHBondContact O-N 2.9Å
98	V	97.1	Very high	96.7	Very high	50 Å²	50	72.1 Å²	72.1	30%	0.303	39%	0.393	S	S	.	.	H	α-helix	trans	-68.8	-44.8	176.6	179.1	0	0	0	0	110.1	M92 M95 H100 W101 L102	M92-V98 HydrophobicContact SD-CG1 4.37Å; M95-V98 HydrophobicContact CB-CB 3.99Å; M95-V98 HydrophobicContact CB-CG2 4.12Å; M95-V98 PolarHBondContact O-N 3.07Å; M95-V98 HydrophobicContact SD-CG2 4.27Å; V98-H100 VanDerWaalsContact C-N 3.31Å; V98-H100 PolarHBondContact O-N 2.78Å; V98-W101 WeakPolarHBondContact O-CB 3.45Å; V98-W101 PolarHBondContact O-N 2.86Å; V98-W101 VanDerWaalsContact O-N 3.13Å; V98-L102 HydrophobicContact CG1-CD1 3.93Å; V98-L102 HydrophobicContact CG1-CG 4.09Å; V98-L102 WeakPolarHBondContact O-CG 3.42Å; V98-L102 PolarHBondContact O-N 2.94Å
99	S	96.9	Very high	96.8	Very high	42 Å²	42	74.3 Å²	74.3	29%	0.294	40%	0.395	S	S	.	.	H	α-helix	trans	-55.9	-46.5	177.2	-173.6	0	0	0	0	111.5	M95 P96	M95-S99 PolarHBondContact O-N 2.92Å; P96-S99 PolarHBondContact O-N 2.86Å
100	H	96.2	Very high	96.9	Very high	112 Å²	112	73.7 Å²	73.7	52%	0.519	39%	0.387	S	S	.	.	H	α-helix	trans	-63.7	-45.5	174.9	-174.2	-107.8	0	0	0	112.3	P96 V98 L102 R103	P96-H100 WeakPolarHBondContact O-CB 3.4Å; P96-H100 PolarHBondContact O-N 2.99Å; V98-H100 VanDerWaalsContact C-N 3.31Å; V98-H100 PolarHBondContact O-N 2.78Å; H100-L102 VanDerWaalsContact C-N 3.35Å; H100-L102 PolarHBondContact O-N 3.14Å; H100-R103 WeakPolarHBondContact O-CB 3.44Å; H100-R103 PolarHBondContact O-N 3.42Å
101	W	97.2	Very high	97	Very high	54 Å²	54	71.4 Å²	71.4	21%	0.205	38%	0.38	C	S	.	.	H	α-helix	trans	-57.9	-43.7	179.3	176.6	-107.4	0	0	0	113	N41 A42 I45 P47 V56 A97 V98 R103 Y104	N41-W101 HydrophobicContact CB-CZ2 3.92Å; N41-W101 VanDerWaalsContact CG-CZ2 3.42Å; A42-W101 PolarHBondContact O-NE1 2.76Å; I45-W101 HydrophobicContact CB-CH2 4.39Å; I45-W101 HydrophobicContact CB-CZ2 3.51Å; I45-W101 HydrophobicContact CG2-CH2 3.99Å; I45-W101 HydrophobicContact CG2-CZ2 3.53Å; P47-W101 HydrophobicContact CG-CH2 3.94Å; P47-W101 HydrophobicContact CG-CZ3 3.84Å; V56-W101 HydrophobicContact CG2-CH2 3.9Å; A97-W101 VanDerWaalsContact O-CB 3.29Å; A97-W101 WeakPolarHBondContact O-CB 3.38Å; A97-W101 PolarHBondContact O-N 2.9Å; V98-W101 WeakPolarHBondContact O-CB 3.45Å; V98-W101 PolarHBondContact O-N 2.86Å; V98-W101 VanDerWaalsContact O-N 3.13Å; W101-R103 PolarHBondContact O-N 2.92Å; W101-R103 VanDerWaalsContact O-N 3.16Å; W101-Y104 HydrophobicContact CD2-CD2 4.34Å; W101-Y104 AromaticContact CE3-CD2 3.77Å; W101-Y104 HydrophobicContact CE3-CD2 3.77Å; W101-Y104 AromaticContact CE3-CE2 3.83Å; W101-Y104 HydrophobicContact CE3-CE2 3.83Å; W101-Y104 AromaticContact CZ3-CD2 3.95Å; W101-Y104 HydrophobicContact CZ3-CD2 3.95Å; W101-Y104 AromaticContact CZ3-CE2 3.96Å; W101-Y104 HydrophobicContact CZ3-CE2 3.96Å; W101-Y104 VanDerWaalsContact O-CD2 3.22Å; W101-Y104 WeakPolarHBondContact O-CD2 3.34Å; W101-Y104 PolarHBondContact O-N 3.25Å
102	L	97.9	Very high	97.2	Very high	8 Å²	8	67.5 Å²	67.5	4%	0.042	35%	0.354	C	S	.	.	H	α-helix	trans	-69.1	-12.5	-177.3	-65.5	-174.9	0	0	0	113.6	I45 A82 I86 M92 V98 H100 Y104 A105	I45-L102 HydrophobicContact CD1-CD2 3.79Å; A82-L102 HydrophobicContact CB-CD2 3.81Å; I86-L102 HydrophobicContact CD1-CB 4.04Å; I86-L102 HydrophobicContact CD1-CD1 4.35Å; I86-L102 HydrophobicContact CD1-CD2 4.25Å; I86-L102 HydrophobicContact CD1-CG 4.43Å; I86-L102 HydrophobicContact CG1-CB 4.21Å; I86-L102 HydrophobicContact CG1-CD1 4.04Å; M92-L102 HydrophobicContact CE-CD1 3.99Å; M92-L102 HydrophobicContact SD-CD1 3.58Å; M92-L102 VanDerWaalsContact SD-CD1 3.58Å; V98-L102 HydrophobicContact CG1-CD1 3.93Å; V98-L102 HydrophobicContact CG1-CG 4.09Å; V98-L102 WeakPolarHBondContact O-CG 3.42Å; V98-L102 PolarHBondContact O-N 2.94Å; H100-L102 VanDerWaalsContact C-N 3.35Å; H100-L102 PolarHBondContact O-N 3.14Å; L102-Y104 PolarHBondContact O-N 3.44Å; L102-A105 WeakPolarHBondContact O-CB 3.49Å; L102-A105 PolarHBondContact O-N 3.13Å
103	R	96.7	Very high	97.3	Very high	158 Å²	158	69.9 Å²	69.9	60%	0.596	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-64.3	-23.9	172.6	-61.9	-174.3	65.9	177.9	-2	113.1	H100 W101 A105 D106	H100-R103 WeakPolarHBondContact O-CB 3.44Å; H100-R103 PolarHBondContact O-N 3.42Å; W101-R103 PolarHBondContact O-N 2.92Å; W101-R103 VanDerWaalsContact O-N 3.16Å; R103-A105 PolarHBondContact O-N 3.32Å; R103-A105 VanDerWaalsContact O-N 3.12Å; R103-D106 IonicContact NE-OD2 3.6Å; R103-D106 WeakPolarHBondContact O-CB 3.16Å; R103-D106 VanDerWaalsContact O-CG 3.31Å; R103-D106 PolarHBondContact O-N 3.09Å
104	Y	97.4	Very high	97.5	Very high	86 Å²	86	67.3 Å²	67.3	34%	0.337	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-66.3	-10.1	172.2	-65.1	-60	0	0	0	113.4	I45 P47 W101 L102	I45-Y104 VanDerWaalsContact CG2-CB 3.44Å; I45-Y104 HydrophobicContact CG2-CD2 4.32Å; I45-Y104 HydrophobicContact CG2-CG 4.27Å; P47-Y104 HydrophobicContact CB-CD1 3.69Å; P47-Y104 HydrophobicContact CB-CD2 4.27Å; P47-Y104 HydrophobicContact CB-CE1 3.64Å; P47-Y104 HydrophobicContact CB-CE2 4.23Å; P47-Y104 HydrophobicContact CB-CG 4.02Å; P47-Y104 HydrophobicContact CG-CD1 4.14Å; P47-Y104 HydrophobicContact CG-CD2 3.78Å; P47-Y104 HydrophobicContact CG-CE1 4.14Å; P47-Y104 HydrophobicContact CG-CE2 3.79Å; P47-Y104 HydrophobicContact CG-CG 3.97Å; W101-Y104 HydrophobicContact CD2-CD2 4.34Å; W101-Y104 AromaticContact CE3-CD2 3.77Å; W101-Y104 HydrophobicContact CE3-CD2 3.77Å; W101-Y104 AromaticContact CE3-CE2 3.83Å; W101-Y104 HydrophobicContact CE3-CE2 3.83Å; W101-Y104 AromaticContact CZ3-CD2 3.95Å; W101-Y104 HydrophobicContact CZ3-CD2 3.95Å; W101-Y104 AromaticContact CZ3-CE2 3.96Å; W101-Y104 HydrophobicContact CZ3-CE2 3.96Å; W101-Y104 VanDerWaalsContact O-CD2 3.22Å; W101-Y104 WeakPolarHBondContact O-CD2 3.34Å; W101-Y104 PolarHBondContact O-N 3.25Å; L102-Y104 PolarHBondContact O-N 3.44Å
105	A	98.4	Very high	97.5	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-98.7	9.1	170	0	0	0	0	0	113.3	I45 M83 I86 L102 R103 S107 A108 R109 M127	I45-A105 HydrophobicContact CD1-CB 4.02Å; M83-A105 HydrophobicContact CE-CB 4.44Å; I86-A105 HydrophobicContact CD1-CB 3.86Å; L102-A105 WeakPolarHBondContact O-CB 3.49Å; L102-A105 PolarHBondContact O-N 3.13Å; R103-A105 PolarHBondContact O-N 3.32Å; R103-A105 VanDerWaalsContact O-N 3.12Å; A105-S107 PolarHBondContact O-N 3.33Å; A105-A108 WeakPolarHBondContact O-CB 3.41Å; A105-A108 PolarHBondContact O-N 3.44Å; A105-R109 PolarHBondContact O-N 3.04Å; A105-M127 HydrophobicContact CB-CE 4.18Å
106	D	98	Very high	97.5	Very high	47 Å²	47	69 Å²	69	25%	0.251	38%	0.376	S	S	.	.	H	α-helix	trans	-58	-36	-178	-89.2	-30.9	0	0	0	112.7	R103 A108 R109 V110	R103-D106 IonicContact NE-OD2 3.6Å; R103-D106 WeakPolarHBondContact O-CB 3.16Å; R103-D106 VanDerWaalsContact O-CG 3.31Å; R103-D106 PolarHBondContact O-N 3.09Å; D106-A108 VanDerWaalsContact C-N 3.31Å; D106-A108 PolarHBondContact O-N 3.1Å; D106-R109 WeakPolarHBondContact O-CB 3.46Å; D106-R109 PolarHBondContact O-N 2.87Å; D106-R109 IonicContact OD1-CZ 3.09Å; D106-R109 VanDerWaalsContact OD1-CZ 3.3Å; D106-R109 IonicContact OD1-NE 2.84Å; D106-R109 PolarHBondContact OD1-NE 3.34Å; D106-R109 IonicContact OD1-NH2 2.67Å; D106-R109 PolarHBondContact OD1-NH2 3.24Å; D106-V110 WeakPolarHBondContact O-CG2 3.35Å; D106-V110 PolarHBondContact O-N 2.88Å
107	S	98.2	Very high	97.5	Very high	78 Å²	78	67.4 Å²	67.4	55%	0.545	36%	0.36	S	S	.	.	H	α-helix	trans	-60	-42.1	174.9	-175.5	0	0	0	0	111.9	A105 V111	A105-S107 PolarHBondContact O-N 3.33Å; S107-V111 WeakPolarHBondContact O-CG2 3.49Å; S107-V111 PolarHBondContact O-N 2.78Å
108	A	98.6	Very high	97.6	Very high	1 Å²	1	68.4 Å²	68.4	1%	0.008	36%	0.363	C	S	.	.	H	α-helix	trans	-68.7	-41.3	176	0	0	0	0	0	111.2	A105 D106 V111 N112 M127 E130 N131 A134	A105-A108 WeakPolarHBondContact O-CB 3.41Å; A105-A108 PolarHBondContact O-N 3.44Å; D106-A108 VanDerWaalsContact C-N 3.31Å; D106-A108 PolarHBondContact O-N 3.1Å; A108-V111 PolarHBondContact O-N 2.92Å; A108-N112 VanDerWaalsContact O-CB 3.28Å; A108-N112 WeakPolarHBondContact O-CB 3.33Å; A108-N112 PolarHBondContact O-N 2.66Å; A108-M127 HydrophobicContact CB-CE 3.55Å; A108-M127 HydrophobicContact CB-SD 4.44Å; A108-E130 VanDerWaalsContact CB-C 3.42Å; A108-E130 HydrophobicContact CB-CB 3.89Å; A108-E130 WeakPolarHBondContact CB-O 3.42Å; A108-N131 HydrophobicContact CB-CB 4.27Å; A108-A134 HydrophobicContact CB-CB 3.84Å
109	R	98.5	Very high	97.6	Very high	91 Å²	91	69.6 Å²	69.6	34%	0.343	37%	0.367	S	S	.	.	H	α-helix	trans	-58.2	-53	178.5	-177.8	-179.5	63.1	81.7	-1.7	111	I86 A105 D106 V111 N112 E113 M127	I86-R109 HydrophobicContact CG2-CB 3.88Å; I86-R109 HydrophobicContact CG2-CG 3.69Å; A105-R109 PolarHBondContact O-N 3.04Å; D106-R109 WeakPolarHBondContact O-CB 3.46Å; D106-R109 PolarHBondContact O-N 2.87Å; D106-R109 IonicContact OD1-CZ 3.09Å; D106-R109 VanDerWaalsContact OD1-CZ 3.3Å; D106-R109 IonicContact OD1-NE 2.84Å; D106-R109 PolarHBondContact OD1-NE 3.34Å; D106-R109 IonicContact OD1-NH2 2.67Å; D106-R109 PolarHBondContact OD1-NH2 3.24Å; R109-V111 VanDerWaalsContact C-N 3.31Å; R109-V111 PolarHBondContact O-N 2.97Å; R109-N112 PolarHBondContact O-N 3.47Å; R109-N112 VanDerWaalsContact O-N 3.13Å; R109-E113 HydrophobicContact CG-CG 4.28Å; R109-E113 WeakPolarHBondContact O-CG 3.35Å; R109-E113 PolarHBondContact O-N 2.83Å; R109-M127 HydrophobicContact CB-CE 4.26Å; R109-M127 HydrophobicContact CB-SD 4.39Å
110	V	98.3	Very high	97.6	Very high	87 Å²	87	71.7 Å²	71.7	53%	0.527	38%	0.375	S	S	.	.	H	α-helix	trans	-59.5	-41.9	-178	172.6	0	0	0	0	111.6	D106 A114	D106-V110 WeakPolarHBondContact O-CG2 3.35Å; D106-V110 PolarHBondContact O-N 2.88Å; V110-A114 PolarHBondContact O-N 3.45Å
111	V	98.2	Very high	97.6	Very high	52 Å²	52	70.9 Å²	70.9	32%	0.315	38%	0.379	S	S	.	.	H	α-helix	trans	-66.7	-40.8	176.2	174.8	0	0	0	0	111.6	S107 A108 R109 A114 R115 E130	S107-V111 WeakPolarHBondContact O-CG2 3.49Å; S107-V111 PolarHBondContact O-N 2.78Å; A108-V111 PolarHBondContact O-N 2.92Å; R109-V111 VanDerWaalsContact C-N 3.31Å; R109-V111 PolarHBondContact O-N 2.97Å; V111-A114 PolarHBondContact O-N 2.84Å; V111-R115 VanDerWaalsContact CG1-NH2 3.29Å; V111-E130 HydrophobicContact CG1-CG 4.39Å; V111-E130 WeakPolarHBondContact CG1-OE2 3.22Å
112	N	98.3	Very high	97.7	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-67.7	-40.4	179.9	-169.9	57	0	0	0	112.5	A108 R109 A114 R115 H117 K123 A126 M127 E130	A108-N112 VanDerWaalsContact O-CB 3.28Å; A108-N112 WeakPolarHBondContact O-CB 3.33Å; A108-N112 PolarHBondContact O-N 2.66Å; R109-N112 PolarHBondContact O-N 3.47Å; R109-N112 VanDerWaalsContact O-N 3.13Å; N112-A114 VanDerWaalsContact C-N 3.26Å; N112-A114 PolarHBondContact O-N 2.9Å; N112-R115 PolarHBondContact O-N 3.21Å; N112-H117 PolarHBondContact O-NE2 2.81Å; N112-H117 PolarHBondContact OD1-CE1 3.16Å; N112-H117 VanDerWaalsContact OD1-CE1 3.28Å; N112-H117 PolarHBondContact OD1-NE2 3.26Å; N112-K123 PolarHBondContact ND2-O 2.75Å; N112-K123 VanDerWaalsContact ND2-O 3.14Å; N112-A126 WeakPolarHBondContact OD1-CB 3.45Å; N112-M127 HydrophobicContact CB-SD 4Å; N112-M127 PolarHBondContact OD1-N 3.27Å; N112-E130 HydrophobicContact CB-CG 4.42Å
113	E	97.4	Very high	97.7	Very high	77 Å²	77	71.9 Å²	71.9	36%	0.36	39%	0.391	S	S	.	.	H	α-helix	trans	-65.2	-28.3	175.9	-69.1	-55.9	146	0	0	112.8	R109 R115 K123	R109-E113 HydrophobicContact CG-CG 4.28Å; R109-E113 WeakPolarHBondContact O-CG 3.35Å; R109-E113 PolarHBondContact O-N 2.83Å; E113-R115 PolarHBondContact O-N 3.41Å; E113-K123 VanDerWaalsContact CD-CE 3.48Å; E113-K123 WeakPolarHBondContact OE1-CE 3.45Å; E113-K123 IonicContact OE1-NZ 2.89Å; E113-K123 PolarHBondContact OE1-NZ 3.23Å; E113-K123 WeakPolarHBondContact OE2-CE 3.34Å; E113-K123 IonicContact OE2-NZ 2.69Å; E113-K123 PolarHBondContact OE2-NZ 3.34Å
114	A	97.8	Very high	97.8	Very high	86 Å²	86	64.9 Å²	64.9	71%	0.711	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-6.3	178.8	0	0	0	0	0	113.8	V110 V111 N112	V110-A114 PolarHBondContact O-N 3.45Å; V111-A114 PolarHBondContact O-N 2.84Å; N112-A114 VanDerWaalsContact C-N 3.26Å; N112-A114 PolarHBondContact O-N 2.9Å
115	R	96.3	Very high	97.8	Very high	120 Å²	120	62.8 Å²	62.8	45%	0.453	37%	0.367	S	S	.	.	S	Bend	trans	-108	144.6	-178.3	-63.3	-177.7	-171.2	167.9	13.5	111	V111 N112 E113 H117 E130	V111-R115 VanDerWaalsContact CG1-NH2 3.29Å; N112-R115 PolarHBondContact O-N 3.21Å; E113-R115 PolarHBondContact O-N 3.41Å; R115-H117 PolarHBondContact O-CD2 2.99Å; R115-H117 PolarHBondContact O-NE2 2.94Å; R115-E130 IonicContact CZ-OE1 3.71Å; R115-E130 IonicContact NH1-OE1 3.49Å; R115-E130 PolarHBondContact NH1-OE1 2.92Å; R115-E130 IonicContact NH2-OE1 3.67Å; R115-E130 PolarHBondContact NH2-OE1 3.49Å; R115-E130 IonicContact NH2-OE2 3.46Å
116	P	96.9	Very high	97.8	Very high	127 Å²	127	63.6 Å²	63.6	83%	0.825	37%	0.374	S	S	*	.			trans	-71.8	143.5	173.5	30.4	-34.1	0	0	0	111
117	H	97.5	Very high	97.9	Very high	59 Å²	59	61.4 Å²	61.4	27%	0.273	36%	0.362	S	S	.	.			trans	-132.8	143.7	174.6	-55.9	-80	0	0	0	109.4	N112 R115 D119 K123	N112-H117 PolarHBondContact O-NE2 2.81Å; N112-H117 PolarHBondContact OD1-CE1 3.16Å; N112-H117 VanDerWaalsContact OD1-CE1 3.28Å; N112-H117 PolarHBondContact OD1-NE2 3.26Å; R115-H117 PolarHBondContact O-CD2 2.99Å; R115-H117 PolarHBondContact O-NE2 2.94Å; H117-D119 VanDerWaalsContact C-N 3.32Å; H117-K123 HydrophobicContact CB-CB 3.9Å
118	S	96.9	Very high	97.9	Very high	102 Å²	102	58 Å²	58	71%	0.713	34%	0.338	S	S	*	.	S	Bend	trans	-68.3	-33.6	177.7	51.3	0	0	0	0	112.7	S122	S118-S122 PolarHBondContact OG-OG 2.79Å
119	D	97.8	Very high	97.9	Very high	74 Å²	74	63.1 Å²	63.1	40%	0.396	36%	0.357	S	S	.	.	S	Bend	trans	-161.5	171.8	-171.9	52.7	58.4	0	0	0	110.9	H117 P121 S122 K123	H117-D119 VanDerWaalsContact C-N 3.32Å; D119-P121 VanDerWaalsContact OD1-CD 3.29Å; D119-P121 WeakPolarHBondContact OD1-CD 3.38Å; D119-S122 PolarHBondContact O-N 2.87Å; D119-S122 WeakPolarHBondContact OD1-CB 3.12Å; D119-S122 PolarHBondContact OD1-N 3.42Å; D119-S122 PolarHBondContact OD1-OG 3.37Å; D119-S122 PolarHBondContact OD2-OG 2.87Å; D119-K123 PolarHBondContact O-N 3.28Å; D119-K123 VanDerWaalsContact O-N 3.09Å
120	L	96.9	Very high	97.9	Very high	86 Å²	86	59.7 Å²	59.7	45%	0.45	35%	0.345	S	S	.	.	H	α-helix	trans	-65.3	-41.6	-179.8	-178.5	62.9	0	0	0	113.5	S122 K123 A124	L120-S122 VanDerWaalsContact C-N 3.34Å; L120-S122 PolarHBondContact O-N 3.13Å; L120-K123 HydrophobicContact CD1-CD 4.48Å; L120-K123 WeakPolarHBondContact O-CB 3.47Å; L120-K123 PolarHBondContact O-N 3.31Å; L120-A124 WeakPolarHBondContact O-CB 3.38Å; L120-A124 PolarHBondContact O-N 3.4Å
121	P	97.5	Very high	97.9	Very high	95 Å²	95	55.5 Å²	55.5	62%	0.617	32%	0.32	S	S	*	.	H	α-helix	trans	-55.1	-45.1	173.1	-29	36.5	0	0	0	113.7	D119 K123 A124 A125	D119-P121 VanDerWaalsContact OD1-CD 3.29Å; D119-P121 WeakPolarHBondContact OD1-CD 3.38Å; P121-K123 VanDerWaalsContact C-N 3.35Å; P121-K123 PolarHBondContact O-N 3.19Å; P121-A124 PolarHBondContact O-N 3.32Å; P121-A125 PolarHBondContact O-N 3.05Å
122	S	97.9	Very high	98	Very high	48 Å²	48	53 Å²	53	34%	0.336	31%	0.305	S	S	.	.	H	α-helix	trans	-63.7	-41.9	177.4	-61.1	0	0	0	0	111.3	S118 D119 L120 A124 A125 A126	S118-S122 PolarHBondContact OG-OG 2.79Å; D119-S122 PolarHBondContact O-N 2.87Å; D119-S122 WeakPolarHBondContact OD1-CB 3.12Å; D119-S122 PolarHBondContact OD1-N 3.42Å; D119-S122 PolarHBondContact OD1-OG 3.37Å; D119-S122 PolarHBondContact OD2-OG 2.87Å; L120-S122 VanDerWaalsContact C-N 3.34Å; L120-S122 PolarHBondContact O-N 3.13Å; S122-A124 PolarHBondContact O-N 2.94Å; S122-A125 PolarHBondContact O-N 2.85Å; S122-A126 WeakPolarHBondContact O-CB 3.36Å; S122-A126 PolarHBondContact O-N 3.36Å
123	K	98.4	Very high	98	Very high	35 Å²	35	54.5 Å²	54.5	15%	0.152	31%	0.313	C	S	.	.	H	α-helix	trans	-61.3	-41.1	173.9	-171.6	179.8	-176.8	-167.5	0	112.6	A87 N112 E113 H117 D119 L120 P121 A126 M127	A87-K123 HydrophobicContact CB-CG 4.18Å; A87-K123 WeakPolarHBondContact O-CD 3.49Å; A87-K123 VanDerWaalsContact O-CE 3.31Å; A87-K123 WeakPolarHBondContact O-CE 3.09Å; A87-K123 PolarHBondContact O-NZ 2.88Å; N112-K123 PolarHBondContact ND2-O 2.75Å; N112-K123 VanDerWaalsContact ND2-O 3.14Å; E113-K123 VanDerWaalsContact CD-CE 3.48Å; E113-K123 WeakPolarHBondContact OE1-CE 3.45Å; E113-K123 IonicContact OE1-NZ 2.89Å; E113-K123 PolarHBondContact OE1-NZ 3.23Å; E113-K123 WeakPolarHBondContact OE2-CE 3.34Å; E113-K123 IonicContact OE2-NZ 2.69Å; E113-K123 PolarHBondContact OE2-NZ 3.34Å; H117-K123 HydrophobicContact CB-CB 3.9Å; D119-K123 PolarHBondContact O-N 3.28Å; D119-K123 VanDerWaalsContact O-N 3.09Å; L120-K123 HydrophobicContact CD1-CD 4.48Å; L120-K123 WeakPolarHBondContact O-CB 3.47Å; L120-K123 PolarHBondContact O-N 3.31Å; P121-K123 VanDerWaalsContact C-N 3.35Å; P121-K123 PolarHBondContact O-N 3.19Å; K123-A126 PolarHBondContact O-N 2.79Å; K123-M127 WeakPolarHBondContact O-CB 3.38Å; K123-M127 PolarHBondContact O-N 3.08Å
124	A	98.3	Very high	98	Very high	11 Å²	11	51.2 Å²	51.2	9%	0.091	30%	0.298	C	S	.	.	H	α-helix	trans	-68.8	-40.7	177.3	0	0	0	0	0	111.9	A87 L120 P121 S122 A126 M127 V128	A87-A124 HydrophobicContact CB-CB 4.1Å; L120-A124 WeakPolarHBondContact O-CB 3.38Å; L120-A124 PolarHBondContact O-N 3.4Å; P121-A124 PolarHBondContact O-N 3.32Å; S122-A124 PolarHBondContact O-N 2.94Å; A124-A126 VanDerWaalsContact C-N 3.34Å; A124-A126 PolarHBondContact O-N 3.5Å; A124-M127 WeakPolarHBondContact O-CB 3.35Å; A124-M127 PolarHBondContact O-N 3.08Å; A124-V128 WeakPolarHBondContact O-CG2 3.31Å; A124-V128 PolarHBondContact O-N 2.96Å
125	A	98.3	Very high	98.1	Very high	42 Å²	42	47.1 Å²	47.1	35%	0.347	26%	0.264	S	S	.	.	H	α-helix	trans	-64	-39.2	174.9	0	0	0	0	0	112.1	P121 S122 V128 R129	P121-A125 PolarHBondContact O-N 3.05Å; S122-A125 PolarHBondContact O-N 2.85Å; A125-V128 PolarHBondContact O-N 3.3Å; A125-R129 PolarHBondContact O-N 3.32Å
126	A	98.4	Very high	98.2	Very high	17 Å²	17	41.7 Å²	41.7	14%	0.14	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-41.2	172.3	0	0	0	0	0	111.8	N112 S122 K123 A124 V128 R129 E130	N112-A126 WeakPolarHBondContact OD1-CB 3.45Å; S122-A126 WeakPolarHBondContact O-CB 3.36Å; S122-A126 PolarHBondContact O-N 3.36Å; K123-A126 PolarHBondContact O-N 2.79Å; A124-A126 VanDerWaalsContact C-N 3.34Å; A124-A126 PolarHBondContact O-N 3.5Å; A126-V128 VanDerWaalsContact C-N 3.31Å; A126-V128 PolarHBondContact O-N 3.43Å; A126-R129 PolarHBondContact O-N 3.46Å; A126-R129 VanDerWaalsContact O-N 3.12Å; A126-E130 WeakPolarHBondContact O-CG 3.21Å; A126-E130 PolarHBondContact O-N 3.15Å
127	M	98.7	Very high	98.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-58.2	-40.4	175.2	-172.9	62.4	-147.9	0	0	112.4	M83 I86 A87 A105 A108 R109 N112 K123 A124 R129 E130 N131	M83-M127 HydrophobicContact CB-CB 4.43Å; M83-M127 HydrophobicContact CB-CG 4.04Å; M83-M127 HydrophobicContact SD-CE 3.9Å; M83-M127 HydrophobicContact SD-CG 4.05Å; I86-M127 HydrophobicContact CB-CE 4.41Å; I86-M127 HydrophobicContact CB-CG 4.45Å; I86-M127 HydrophobicContact CD1-CE 4.04Å; I86-M127 HydrophobicContact CG2-CE 3.79Å; I86-M127 HydrophobicContact CG2-CG 4.31Å; I86-M127 HydrophobicContact CG2-SD 3.88Å; A87-M127 HydrophobicContact CB-CB 4.1Å; A87-M127 HydrophobicContact CB-CG 4.4Å; A105-M127 HydrophobicContact CB-CE 4.18Å; A108-M127 HydrophobicContact CB-CE 3.55Å; A108-M127 HydrophobicContact CB-SD 4.44Å; R109-M127 HydrophobicContact CB-CE 4.26Å; R109-M127 HydrophobicContact CB-SD 4.39Å; N112-M127 HydrophobicContact CB-SD 4Å; N112-M127 PolarHBondContact OD1-N 3.27Å; K123-M127 WeakPolarHBondContact O-CB 3.38Å; K123-M127 PolarHBondContact O-N 3.08Å; A124-M127 WeakPolarHBondContact O-CB 3.35Å; A124-M127 PolarHBondContact O-N 3.08Å; M127-R129 PolarHBondContact O-N 3.17Å; M127-E130 PolarHBondContact O-N 3.45Å; M127-N131 HydrophobicContact CE-CB 4.45Å; M127-N131 WeakPolarHBondContact O-CB 3.37Å; M127-N131 PolarHBondContact O-N 3.21Å
128	V	98.8	Very high	98.3	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-59	-47.5	174.4	170.6	0	0	0	0	111.3	H77 C80 M83 A124 A125 A126 N131 V132 V160	H77-V128 WeakPolarHBondContact O-CG1 3.09Å; H77-V128 WeakPolarHBondContact O-CG2 3.32Å; C80-V128 HydrophobicContact CB-CG2 4.04Å; M83-V128 HydrophobicContact CB-CG2 3.7Å; M83-V128 HydrophobicContact CG-CG2 3.9Å; A124-V128 WeakPolarHBondContact O-CG2 3.31Å; A124-V128 PolarHBondContact O-N 2.96Å; A125-V128 PolarHBondContact O-N 3.3Å; A126-V128 VanDerWaalsContact C-N 3.31Å; A126-V128 PolarHBondContact O-N 3.43Å; V128-N131 PolarHBondContact O-N 3.49Å; V128-V132 WeakPolarHBondContact O-CG2 3.09Å; V128-V132 PolarHBondContact O-N 3.38Å; V128-V132 VanDerWaalsContact O-N 3.16Å; V128-V160 HydrophobicContact CG1-CG1 3.91Å; V128-V160 HydrophobicContact CG1-CG2 4.08Å
129	R	98.7	Very high	98.4	Very high	108 Å²	108	31.5 Å²	31.5	41%	0.408	18%	0.184	S	C	.	.	H	α-helix	trans	-64.4	-47.2	179.8	-69.5	-176.9	-168.2	104.3	-2.3	111.9	A125 A126 M127 N131 V132 I133 V160 F178	A125-R129 PolarHBondContact O-N 3.32Å; A126-R129 PolarHBondContact O-N 3.46Å; A126-R129 VanDerWaalsContact O-N 3.12Å; M127-R129 PolarHBondContact O-N 3.17Å; R129-N131 VanDerWaalsContact C-N 3.29Å; R129-N131 PolarHBondContact O-N 3.35Å; R129-V132 PolarHBondContact O-N 2.91Å; R129-I133 WeakPolarHBondContact O-CG1 3Å; R129-I133 PolarHBondContact O-N 3.17Å; R129-V160 HydrophobicContact CG-CG2 4.19Å; R129-F178 HydrophobicContact CB-CD2 4.11Å; R129-F178 HydrophobicContact CB-CE2 3.59Å; R129-F178 HydrophobicContact CB-CZ 4.1Å; R129-F178 HydrophobicContact CG-CD2 4Å; R129-F178 HydrophobicContact CG-CE2 3.88Å; R129-F178 HydrophobicContact CG-CZ 4.29Å
130	E	98.7	Very high	98.4	Very high	19 Å²	19	31.5 Å²	31.5	9%	0.089	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-35.2	178.3	-69	-57.7	144.4	0	0	111.8	A108 V111 N112 R115 A126 M127 I133 A134	A108-E130 VanDerWaalsContact CB-C 3.42Å; A108-E130 HydrophobicContact CB-CB 3.89Å; A108-E130 WeakPolarHBondContact CB-O 3.42Å; V111-E130 HydrophobicContact CG1-CG 4.39Å; V111-E130 WeakPolarHBondContact CG1-OE2 3.22Å; N112-E130 HydrophobicContact CB-CG 4.42Å; R115-E130 IonicContact CZ-OE1 3.71Å; R115-E130 IonicContact NH1-OE1 3.49Å; R115-E130 PolarHBondContact NH1-OE1 2.92Å; R115-E130 IonicContact NH2-OE1 3.67Å; R115-E130 PolarHBondContact NH2-OE1 3.49Å; R115-E130 IonicContact NH2-OE2 3.46Å; A126-E130 WeakPolarHBondContact O-CG 3.21Å; A126-E130 PolarHBondContact O-N 3.15Å; M127-E130 PolarHBondContact O-N 3.45Å; E130-I133 PolarHBondContact O-N 3.32Å; E130-A134 WeakPolarHBondContact O-CB 3.35Å; E130-A134 PolarHBondContact O-N 2.92Å
131	N	98.9	Very high	98.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-47.5	174.2	-179.8	54.6	0	0	0	111.4	G43 N44 M83 A108 M127 V128 R129 I133 A134 Q135	G43-N131 PolarHBondContact O-ND2 3.12Å; N44-N131 PolarHBondContact ND2-ND2 2.86Å; M83-N131 HydrophobicContact CE-CB 4.47Å; M83-N131 HydrophobicContact CG-CB 4.45Å; M83-N131 HydrophobicContact SD-CB 3.37Å; M83-N131 WeakPolarHBondContact SD-CB 3.49Å; A108-N131 HydrophobicContact CB-CB 4.27Å; M127-N131 HydrophobicContact CE-CB 4.45Å; M127-N131 WeakPolarHBondContact O-CB 3.37Å; M127-N131 PolarHBondContact O-N 3.21Å; V128-N131 PolarHBondContact O-N 3.49Å; R129-N131 VanDerWaalsContact C-N 3.29Å; R129-N131 PolarHBondContact O-N 3.35Å; N131-I133 VanDerWaalsContact C-N 3.27Å; N131-I133 PolarHBondContact O-N 3.15Å; N131-A134 PolarHBondContact O-N 3.01Å; N131-A134 VanDerWaalsContact O-N 3.13Å; N131-Q135 WeakPolarHBondContact O-CG 3.42Å; N131-Q135 PolarHBondContact O-N 2.82Å; N131-Q135 PolarHBondContact OD1-NE2 3.44Å
132	V	98.9	Very high	98.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-54.9	-45.3	175.6	171.5	0	0	0	0	111.2	I74 V128 R129 Q135 L136 G158 V160 F178	I74-V132 HydrophobicContact CB-CG1 4.42Å; I74-V132 HydrophobicContact CG2-CB 4.35Å; I74-V132 HydrophobicContact CG2-CG1 4.13Å; I74-V132 HydrophobicContact CG2-CG2 4.23Å; V128-V132 WeakPolarHBondContact O-CG2 3.09Å; V128-V132 PolarHBondContact O-N 3.38Å; V128-V132 VanDerWaalsContact O-N 3.16Å; R129-V132 PolarHBondContact O-N 2.91Å; V132-Q135 PolarHBondContact O-N 2.87Å; V132-L136 HydrophobicContact CG1-CD1 4.25Å; V132-L136 WeakPolarHBondContact O-CG 3.41Å; V132-L136 PolarHBondContact O-N 3.35Å; V132-G158 VanDerWaalsContact CG1-CA 3.41Å; V132-V160 HydrophobicContact CG2-CG2 4Å; V132-F178 HydrophobicContact CB-CZ 4.21Å; V132-F178 HydrophobicContact CG1-CE1 4.4Å; V132-F178 HydrophobicContact CG1-CZ 4.14Å
133	I	98.7	Very high	98.5	Very high	31 Å²	31	26.9 Å²	26.9	16%	0.159	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-44.9	177.7	-62.8	168	0	0	0	111.2	R129 E130 N131 Q135 L136 A137 F171 F178	R129-I133 WeakPolarHBondContact O-CG1 3Å; R129-I133 PolarHBondContact O-N 3.17Å; E130-I133 PolarHBondContact O-N 3.32Å; N131-I133 VanDerWaalsContact C-N 3.27Å; N131-I133 PolarHBondContact O-N 3.15Å; I133-Q135 PolarHBondContact O-N 2.69Å; I133-L136 WeakPolarHBondContact O-CB 3.41Å; I133-L136 PolarHBondContact O-N 3.13Å; I133-A137 PolarHBondContact O-N 2.9Å; I133-A137 VanDerWaalsContact O-N 3.1Å; I133-F171 HydrophobicContact CD1-CD2 4.09Å; I133-F171 HydrophobicContact CD1-CE2 3.54Å; I133-F171 HydrophobicContact CD1-CZ 3.97Å; I133-F171 HydrophobicContact CG1-CD2 3.99Å; I133-F171 HydrophobicContact CG1-CE1 4.31Å; I133-F171 HydrophobicContact CG1-CE2 3.74Å; I133-F171 HydrophobicContact CG1-CG 4.38Å; I133-F171 HydrophobicContact CG1-CZ 3.91Å; I133-F178 HydrophobicContact CD1-CE2 4.05Å; I133-F178 HydrophobicContact CG1-CE2 4.22Å; I133-F178 HydrophobicContact CG1-CZ 4.41Å
134	A	98.7	Very high	98.4	Very high	7 Å²	7	25.9 Å²	25.9	6%	0.058	15%	0.152	C	C	.	.	H	α-helix	trans	-64	-40.2	178.7	0	0	0	0	0	112.2	A108 E130 N131 L136 A137 N138	A108-A134 HydrophobicContact CB-CB 3.84Å; E130-A134 WeakPolarHBondContact O-CB 3.35Å; E130-A134 PolarHBondContact O-N 2.92Å; N131-A134 PolarHBondContact O-N 3.01Å; N131-A134 VanDerWaalsContact O-N 3.13Å; A134-L136 VanDerWaalsContact C-N 3.35Å; A134-L136 PolarHBondContact O-N 3.21Å; A134-A137 WeakPolarHBondContact O-CB 3.42Å; A134-A137 PolarHBondContact O-N 3.43Å; A134-A137 VanDerWaalsContact O-N 3.15Å; A134-N138 PolarHBondContact O-N 3.4Å
135	Q	98.8	Very high	98.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-70.3	-32.2	179	-56.3	-32.4	-55.6	0	0	112.3	V46 I74 N131 V132 I133 A137 N138 L139	V46-Q135 HydrophobicContact CB-CB 4.48Å; V46-Q135 PolarHBondContact O-OE1 3.29Å; I74-Q135 HydrophobicContact CD1-CB 4.18Å; I74-Q135 HydrophobicContact CG1-CB 4.15Å; I74-Q135 HydrophobicContact CG2-CB 4.01Å; N131-Q135 WeakPolarHBondContact O-CG 3.42Å; N131-Q135 PolarHBondContact O-N 2.82Å; N131-Q135 PolarHBondContact OD1-NE2 3.44Å; V132-Q135 PolarHBondContact O-N 2.87Å; I133-Q135 PolarHBondContact O-N 2.69Å; Q135-A137 VanDerWaalsContact C-N 3.32Å; Q135-N138 PolarHBondContact O-N 2.87Å; Q135-N138 PolarHBondContact OE1-ND2 3.36Å; Q135-L139 PolarHBondContact O-N 3.35Å
136	L	98.7	Very high	98.4	Very high	7 Å²	7	29 Å²	29	4%	0.037	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-38.8	169	-73.8	165.8	0	0	0	112	I74 V132 I133 A134 Q140 L156 F171 A189	I74-L136 HydrophobicContact CG1-CD2 4.18Å; I74-L136 HydrophobicContact CG1-CG 4.29Å; V132-L136 HydrophobicContact CG1-CD1 4.25Å; V132-L136 WeakPolarHBondContact O-CG 3.41Å; V132-L136 PolarHBondContact O-N 3.35Å; I133-L136 WeakPolarHBondContact O-CB 3.41Å; I133-L136 PolarHBondContact O-N 3.13Å; A134-L136 VanDerWaalsContact C-N 3.35Å; A134-L136 PolarHBondContact O-N 3.21Å; L136-Q140 WeakPolarHBondContact O-CG 3.37Å; L136-Q140 PolarHBondContact O-N 3.5Å; L136-Q140 PolarHBondContact O-NE2 2.91Å; L136-L156 HydrophobicContact CD2-CB 3.78Å; L136-L156 HydrophobicContact CD2-CD1 4.35Å; L136-F171 HydrophobicContact CD1-CD1 4.1Å; L136-A189 HydrophobicContact CD1-CB 3.54Å; L136-A189 HydrophobicContact CD2-CB 4.05Å; L136-A189 HydrophobicContact CG-CB 4.41Å
137	A	98.3	Very high	98.4	Very high	50 Å²	50	32.7 Å²	32.7	41%	0.413	17%	0.169	S	C	.	.	H	α-helix	trans	-66.7	-44.3	174.1	0	0	0	0	0	111.2	I133 A134 Q135 L139 Q140	I133-A137 PolarHBondContact O-N 2.9Å; I133-A137 VanDerWaalsContact O-N 3.1Å; A134-A137 WeakPolarHBondContact O-CB 3.42Å; A134-A137 PolarHBondContact O-N 3.43Å; A134-A137 VanDerWaalsContact O-N 3.15Å; Q135-A137 VanDerWaalsContact C-N 3.32Å; A137-L139 PolarHBondContact O-N 3.48Å; A137-Q140 PolarHBondContact O-N 3.4Å
138	N	98.4	Very high	98.3	Very high	24 Å²	24	32.7 Å²	32.7	13%	0.128	17%	0.169	C	C	.	.	H	α-helix	trans	-60.3	-44.9	176.9	-70.5	-14.3	0	0	0	111.6	V46 A134 Q135 Q140 T141 H142	V46-N138 WeakPolarHBondContact O-CB 3.27Å; V46-N138 PolarHBondContact O-ND2 2.73Å; A134-N138 PolarHBondContact O-N 3.4Å; Q135-N138 PolarHBondContact O-N 2.87Å; Q135-N138 PolarHBondContact OE1-ND2 3.36Å; N138-Q140 PolarHBondContact O-N 3.5Å; N138-T141 WeakPolarHBondContact O-CB 3.28Å; N138-T141 PolarHBondContact O-N 3.12Å; N138-T141 PolarHBondContact O-OG1 3.38Å; N138-H142 PolarHBondContact O-CD2 3.41Å; N138-H142 VanDerWaalsContact O-CD2 3.26Å
139	L	98.5	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-52	-42.1	176.4	-87.6	172.7	0	0	0	112.7	I16 V46 V60 I72 I74 Q135 A137 T141 H142 V145 L156	I16-L139 HydrophobicContact CD1-CD2 4.27Å; V46-L139 HydrophobicContact CB-CG 4.49Å; V46-L139 HydrophobicContact CG1-CD2 3.95Å; V46-L139 HydrophobicContact CG1-CG 4.11Å; V46-L139 HydrophobicContact CG2-CD2 4.43Å; V46-L139 HydrophobicContact CG2-CG 4.37Å; V60-L139 HydrophobicContact CG1-CD2 3.96Å; V60-L139 HydrophobicContact CG2-CD2 3.99Å; I72-L139 HydrophobicContact CG2-CD1 3.68Å; I72-L139 HydrophobicContact CG2-CD2 4.35Å; I74-L139 HydrophobicContact CD1-CD1 3.58Å; I74-L139 HydrophobicContact CD1-CG 4.32Å; I74-L139 HydrophobicContact CG1-CD1 3.71Å; Q135-L139 PolarHBondContact O-N 3.35Å; A137-L139 PolarHBondContact O-N 3.48Å; L139-T141 PolarHBondContact O-N 3.03Å; L139-T141 VanDerWaalsContact O-N 3.15Å; L139-H142 WeakPolarHBondContact O-CB 3.35Å; L139-H142 PolarHBondContact O-CD2 2.84Å; L139-H142 PolarHBondContact O-N 3.27Å; L139-V145 HydrophobicContact CD2-CG2 4.39Å; L139-V145 WeakPolarHBondContact O-CB 3.43Å; L139-V145 WeakPolarHBondContact O-CG1 3.5Å; L139-L156 HydrophobicContact CB-CD1 4.4Å
140	Q	98.1	Very high	98.1	Very high	74 Å²	74	31.6 Å²	31.6	35%	0.346	17%	0.168	S	C	.	.	H	α-helix	trans	-65.7	-16.8	-179.1	-68.9	170.2	79.9	0	0	113.8	L136 A137 N138 H142 L149 L156 I190	L136-Q140 WeakPolarHBondContact O-CG 3.37Å; L136-Q140 PolarHBondContact O-N 3.5Å; L136-Q140 PolarHBondContact O-NE2 2.91Å; A137-Q140 PolarHBondContact O-N 3.4Å; N138-Q140 PolarHBondContact O-N 3.5Å; Q140-H142 VanDerWaalsContact C-N 3.31Å; Q140-L149 HydrophobicContact CG-CD1 3.94Å; Q140-L156 HydrophobicContact CG-CD1 3.88Å; Q140-I190 HydrophobicContact CG-CD1 3.88Å; Q140-I190 VanDerWaalsContact OE1-CD1 3.23Å
141	T	97.9	Very high	97.9	Very high	66 Å²	66	35.9 Å²	35.9	41%	0.405	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-15.8	175.1	70.6	0	0	0	0	112.9	Y49 N138 L139	Y49-T141 VanDerWaalsContact CB-O 3.26Å; Y49-T141 WeakPolarHBondContact CB-O 3.46Å; Y49-T141 PolarHBondContact N-OG1 2.79Å; N138-T141 WeakPolarHBondContact O-CB 3.28Å; N138-T141 PolarHBondContact O-N 3.12Å; N138-T141 PolarHBondContact O-OG1 3.38Å; L139-T141 PolarHBondContact O-N 3.03Å; L139-T141 VanDerWaalsContact O-N 3.15Å
142	H	98.4	Very high	97.8	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.014	20%	0.198	C	C	.	.	S	Bend	trans	-75.6	128.3	-179.9	-69	-116.3	0	0	0	110.3	P47 S57 N138 L139 Q140 S144 V145 R146	P47-H142 PolarHBondContact O-NE2 2.64Å; S57-H142 PolarHBondContact OG-CE1 3.37Å; N138-H142 PolarHBondContact O-CD2 3.41Å; N138-H142 VanDerWaalsContact O-CD2 3.26Å; L139-H142 WeakPolarHBondContact O-CB 3.35Å; L139-H142 PolarHBondContact O-CD2 2.84Å; L139-H142 PolarHBondContact O-N 3.27Å; Q140-H142 VanDerWaalsContact C-N 3.31Å; H142-S144 PolarHBondContact O-N 3.46Å; H142-V145 HydrophobicContact CB-CB 4.14Å; H142-V145 HydrophobicContact CB-CG2 3.88Å; H142-V145 PolarHBondContact O-N 2.78Å; H142-V145 VanDerWaalsContact O-N 3.15Å; H142-R146 WeakPolarHBondContact O-CB 3.28Å; H142-R146 PolarHBondContact O-N 3.07Å
143	P	97.5	Very high	97.7	Very high	62 Å²	62	41.2 Å²	41.2	40%	0.403	21%	0.214	S	C	.	.	H	α-helix	trans	-55.6	-44	-174.8	-29.4	35.3	0	0	0	114.6	Y49 V145 R146 L147	Y49-P143 HydrophobicContact CD1-CG 4.25Å; Y49-P143 VanDerWaalsContact CD2-CD 3.43Å; Y49-P143 HydrophobicContact CD2-CG 4.33Å; Y49-P143 HydrophobicContact CE1-CG 3.97Å; Y49-P143 HydrophobicContact CE2-CG 4.06Å; Y49-P143 HydrophobicContact CG-CG 4.42Å; P143-V145 PolarHBondContact O-N 3.29Å; P143-R146 PolarHBondContact O-N 2.67Å; P143-L147 WeakPolarHBondContact O-CB 3.36Å; P143-L147 PolarHBondContact O-N 2.85Å
144	S	97.8	Very high	97.6	Very high	14 Å²	14	39.7 Å²	39.7	10%	0.098	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-41.7	178.9	53.6	0	0	0	0	112.4	V64 H142 A148	V64-S144 WeakPolarHBondContact CG1-O 3.46Å; H142-S144 PolarHBondContact O-N 3.46Å; S144-A148 VanDerWaalsContact O-CB 3.27Å; S144-A148 WeakPolarHBondContact O-CB 3.35Å; S144-A148 PolarHBondContact O-N 3.46Å
145	V	98.4	Very high	97.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.1	-48.1	175.2	178.7	0	0	0	0	110.1	V60 V64 I72 L139 H142 P143 L147 A148 L149 I154 L156	V60-V145 HydrophobicContact CG1-CG2 3.52Å; V64-V145 HydrophobicContact CG2-CG2 4.14Å; I72-V145 HydrophobicContact CD1-CG2 4.1Å; L139-V145 HydrophobicContact CD2-CG2 4.39Å; L139-V145 WeakPolarHBondContact O-CB 3.43Å; L139-V145 WeakPolarHBondContact O-CG1 3.5Å; H142-V145 HydrophobicContact CB-CB 4.14Å; H142-V145 HydrophobicContact CB-CG2 3.88Å; H142-V145 PolarHBondContact O-N 2.78Å; H142-V145 VanDerWaalsContact O-N 3.15Å; P143-V145 PolarHBondContact O-N 3.29Å; V145-L147 VanDerWaalsContact C-N 3.35Å; V145-L147 PolarHBondContact O-N 2.99Å; V145-A148 PolarHBondContact O-N 2.94Å; V145-L149 HydrophobicContact CG1-CD1 3.93Å; V145-L149 HydrophobicContact CG1-CG 4.38Å; V145-L149 WeakPolarHBondContact O-CG 3.49Å; V145-L149 PolarHBondContact O-N 3.05Å; V145-I154 HydrophobicContact CB-CD1 4.36Å; V145-I154 HydrophobicContact CG1-CD1 3.8Å; V145-L156 HydrophobicContact CG1-CD2 4.35Å
146	R	97.4	Very high	97.6	Very high	119 Å²	119	39.7 Å²	39.7	45%	0.449	21%	0.206	S	C	.	.	H	α-helix	trans	-56.7	-48.4	179.8	-179.3	68.8	-166.9	115.4	4.3	111.5	H142 P143 L149 E150	H142-R146 WeakPolarHBondContact O-CB 3.28Å; H142-R146 PolarHBondContact O-N 3.07Å; P143-R146 PolarHBondContact O-N 2.67Å; R146-L149 PolarHBondContact O-N 2.86Å; R146-E150 IonicContact CZ-OE1 3.09Å; R146-E150 IonicContact NH1-OE1 2.64Å; R146-E150 PolarHBondContact NH1-OE1 3.38Å; R146-E150 IonicContact NH2-OE1 2.73Å; R146-E150 PolarHBondContact NH2-OE1 2.85Å; R146-E150 IonicContact NH2-OE2 3.88Å; R146-E150 PolarHBondContact O-N 2.92Å; R146-E150 VanDerWaalsContact O-N 3.16Å
147	L	97.3	Very high	97.6	Very high	95 Å²	95	40.7 Å²	40.7	50%	0.497	21%	0.211	S	C	.	.	H	α-helix	trans	-61.3	-48.2	177.1	176.5	61.3	0	0	0	111.4	P143 V145 L149 E150 E151	P143-L147 WeakPolarHBondContact O-CB 3.36Å; P143-L147 PolarHBondContact O-N 2.85Å; V145-L147 VanDerWaalsContact C-N 3.35Å; V145-L147 PolarHBondContact O-N 2.99Å; L147-L149 VanDerWaalsContact C-N 3.29Å; L147-L149 PolarHBondContact O-N 3.23Å; L147-E150 PolarHBondContact O-N 2.74Å; L147-E150 VanDerWaalsContact O-N 3.14Å; L147-E151 HydrophobicContact CD1-CG 4.11Å; L147-E151 WeakPolarHBondContact O-CG 3.13Å; L147-E151 PolarHBondContact O-N 2.89Å
148	A	97.7	Very high	97.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.9	-32.6	-178.4	0	0	0	0	0	113.4	V64 S144 V145 G152 R153 I154	V64-A148 HydrophobicContact CG1-CB 3.66Å; S144-A148 VanDerWaalsContact O-CB 3.27Å; S144-A148 WeakPolarHBondContact O-CB 3.35Å; S144-A148 PolarHBondContact O-N 3.46Å; V145-A148 PolarHBondContact O-N 2.94Å; A148-G152 PolarHBondContact O-N 2.95Å; A148-R153 VanDerWaalsContact CA-NH2 3.32Å; A148-R153 HydrophobicContact CB-CB 4.46Å; A148-R153 PolarHBondContact O-N 3.14Å; A148-I154 HydrophobicContact CB-CB 4.39Å; A148-I154 HydrophobicContact CB-CD1 3.63Å; A148-I154 HydrophobicContact CB-CG1 3.65Å; A148-I154 HydrophobicContact CB-CG2 3.94Å; A148-I154 PolarHBondContact O-N 3.35Å
149	L	96.8	Very high	97.6	Very high	14 Å²	14	39.1 Å²	39.1	7%	0.073	19%	0.193	C	C	.	.	H	α-helix	trans	-67.1	-44.7	172.2	-73.5	168.9	0	0	0	111.8	Q140 V145 R146 L147 E151 G152 I154 L156 I190	Q140-L149 HydrophobicContact CG-CD1 3.94Å; V145-L149 HydrophobicContact CG1-CD1 3.93Å; V145-L149 HydrophobicContact CG1-CG 4.38Å; V145-L149 WeakPolarHBondContact O-CG 3.49Å; V145-L149 PolarHBondContact O-N 3.05Å; R146-L149 PolarHBondContact O-N 2.86Å; L147-L149 VanDerWaalsContact C-N 3.29Å; L147-L149 PolarHBondContact O-N 3.23Å; L149-E151 VanDerWaalsContact C-N 3.3Å; L149-E151 PolarHBondContact O-N 3.17Å; L149-G152 PolarHBondContact O-N 2.69Å; L149-G152 VanDerWaalsContact O-N 3.09Å; L149-I154 HydrophobicContact CD2-CD1 4.28Å; L149-I154 HydrophobicContact CD2-CG1 3.79Å; L149-I154 HydrophobicContact CG-CD1 4.02Å; L149-I154 HydrophobicContact CG-CG1 3.89Å; L149-L156 HydrophobicContact CD1-CD1 4.3Å; L149-L156 HydrophobicContact CD2-CG 4.15Å; L149-I190 HydrophobicContact CD2-CG2 3.98Å
150	E	95.6	Very high	97.6	Very high	78 Å²	78	39.9 Å²	39.9	36%	0.364	20%	0.198	S	C	.	.	H	α-helix	trans	-63.1	-38	179.3	-74.9	-60.9	120.7	0	0	112.5	R146 L147 G152 R193	R146-E150 IonicContact CZ-OE1 3.09Å; R146-E150 IonicContact NH1-OE1 2.64Å; R146-E150 PolarHBondContact NH1-OE1 3.38Å; R146-E150 IonicContact NH2-OE1 2.73Å; R146-E150 PolarHBondContact NH2-OE1 2.85Å; R146-E150 IonicContact NH2-OE2 3.88Å; R146-E150 PolarHBondContact O-N 2.92Å; R146-E150 VanDerWaalsContact O-N 3.16Å; L147-E150 PolarHBondContact O-N 2.74Å; L147-E150 VanDerWaalsContact O-N 3.14Å; E150-G152 PolarHBondContact O-N 3.02Å; E150-R193 VanDerWaalsContact CD-NH1 3.27Å; E150-R193 IonicContact OE1-NH1 3.53Å; E150-R193 IonicContact OE2-CZ 3.68Å; E150-R193 IonicContact OE2-NH1 2.68Å; E150-R193 PolarHBondContact OE2-NH1 3.24Å; E150-R193 IonicContact OE2-NH2 3.88Å
151	E	95.5	Very high	97.6	Very high	109 Å²	109	38.1 Å²	38.1	51%	0.509	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.1	176.2	-66.2	177.8	146.6	0	0	113.5	L147 L149 R153	L147-E151 HydrophobicContact CD1-CG 4.11Å; L147-E151 WeakPolarHBondContact O-CG 3.13Å; L147-E151 PolarHBondContact O-N 2.89Å; L149-E151 VanDerWaalsContact C-N 3.3Å; L149-E151 PolarHBondContact O-N 3.17Å; E151-R153 VanDerWaalsContact C-N 3.27Å; E151-R153 HydrophobicContact CB-CG 4.07Å; E151-R153 PolarHBondContact O-N 2.89Å; E151-R153 IonicContact OE2-CZ 3.13Å; E151-R153 IonicContact OE2-NE 2.68Å; E151-R153 PolarHBondContact OE2-NE 2.94Å; E151-R153 IonicContact OE2-NH2 2.71Å; E151-R153 PolarHBondContact OE2-NH2 2.89Å
152	G	96.1	Very high	97.6	Very high	19 Å²	19	37.1 Å²	37.1	20%	0.196	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	28.3	-179.3	0	0	0	0	0	113.8	A148 L149 E150 L192	A148-G152 PolarHBondContact O-N 2.95Å; L149-G152 PolarHBondContact O-N 2.69Å; L149-G152 VanDerWaalsContact O-N 3.09Å; E150-G152 PolarHBondContact O-N 3.02Å; G152-L192 VanDerWaalsContact O-CD2 3.27Å; G152-L192 WeakPolarHBondContact O-CD2 3.39Å
153	R	96.5	Very high	97.5	Very high	93 Å²	93	39 Å²	39	35%	0.351	19%	0.19	S	C	.	.			trans	-91.2	-23.6	-179.5	-68.9	-169.9	-68.5	100	-4.1	114	A148 E151 L192	A148-R153 VanDerWaalsContact CA-NH2 3.32Å; A148-R153 HydrophobicContact CB-CB 4.46Å; A148-R153 PolarHBondContact O-N 3.14Å; E151-R153 VanDerWaalsContact C-N 3.27Å; E151-R153 HydrophobicContact CB-CG 4.07Å; E151-R153 PolarHBondContact O-N 2.89Å; E151-R153 IonicContact OE2-CZ 3.13Å; E151-R153 IonicContact OE2-NE 2.68Å; E151-R153 PolarHBondContact OE2-NE 2.94Å; E151-R153 IonicContact OE2-NH2 2.71Å; E151-R153 PolarHBondContact OE2-NH2 2.89Å; R153-L192 VanDerWaalsContact C-CD2 3.41Å
154	I	97.7	Very high	97.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.211	C	C	.	.			trans	-128.3	147.5	-178.7	64.9	172.8	0	0	0	113.5	V69 S70 I72 V145 A148 L149 L156	V69-I154 WeakPolarHBondContact O-CG2 3.45Å; S70-I154 CarbonylContact O-C 3.6Å; S70-I154 VanDerWaalsContact O-CA 3.23Å; S70-I154 WeakPolarHBondContact O-CA 3.25Å; I72-I154 HydrophobicContact CD1-CD1 3.96Å; V145-I154 HydrophobicContact CB-CD1 4.36Å; V145-I154 HydrophobicContact CG1-CD1 3.8Å; A148-I154 HydrophobicContact CB-CB 4.39Å; A148-I154 HydrophobicContact CB-CD1 3.63Å; A148-I154 HydrophobicContact CB-CG1 3.65Å; A148-I154 HydrophobicContact CB-CG2 3.94Å; A148-I154 PolarHBondContact O-N 3.35Å; L149-I154 HydrophobicContact CD2-CD1 4.28Å; L149-I154 HydrophobicContact CD2-CG1 3.79Å; L149-I154 HydrophobicContact CG-CD1 4.02Å; L149-I154 HydrophobicContact CG-CG1 3.89Å; I154-L156 HydrophobicContact CD1-CD2 4.28Å
155	A	98.1	Very high	97.3	Very high	6 Å²	6	47.8 Å²	47.8	5%	0.05	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	148.1	164.6	0	0	0	0	0	110.6	S70 I72 I190 L192	S70-A155 PolarHBondContact O-N 3.46Å; I72-A155 PolarHBondContact N-O 3.05Å; A155-I190 WeakPolarHBondContact CA-O 3.49Å; A155-L192 HydrophobicContact CB-CG 4.17Å
156	L	98.7	Very high	97.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	137.8	172.4	-52.1	-169.5	0	0	0	111	I72 L136 L139 Q140 V145 L149 I154 A189 I190	I72-L156 HydrophobicContact CB-CD2 3.8Å; I72-L156 HydrophobicContact CD1-CD2 3.94Å; I72-L156 HydrophobicContact CG1-CD2 4.12Å; I72-L156 WeakPolarHBondContact O-CA 3.36Å; L136-L156 HydrophobicContact CD2-CB 3.78Å; L136-L156 HydrophobicContact CD2-CD1 4.35Å; L139-L156 HydrophobicContact CB-CD1 4.4Å; Q140-L156 HydrophobicContact CG-CD1 3.88Å; V145-L156 HydrophobicContact CG1-CD2 4.35Å; L149-L156 HydrophobicContact CD1-CD1 4.3Å; L149-L156 HydrophobicContact CD2-CG 4.15Å; I154-L156 HydrophobicContact CD1-CD2 4.28Å; L156-A189 WeakPolarHBondContact O-CB 3.46Å; L156-A189 PolarHBondContact O-N 2.83Å; L156-I190 HydrophobicContact CB-CB 4.14Å; L156-I190 HydrophobicContact CB-CG1 4.36Å; L156-I190 HydrophobicContact CD1-CD1 3.86Å; L156-I190 HydrophobicContact CD1-CG1 4.41Å; L156-I190 HydrophobicContact CG-CB 4.31Å; L156-I190 HydrophobicContact CG-CD1 4.41Å; L156-I190 PolarHBondContact N-O 2.84Å; L156-I190 PolarHBondContact O-N 2.81Å
157	H	98.7	Very high	97.2	Very high	28 Å²	28	47.1 Å²	47.1	13%	0.13	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131	-179	-55.3	-87.3	0	0	0	110.2	D71 I72 V73 I74	D71-H157 IonicContact OD1-CD2 3.77Å; D71-H157 IonicContact OD1-CE1 2.78Å; D71-H157 IonicContact OD1-NE2 3.92Å; D71-H157 PolarHBondContact OD1-NE2 2.92Å; I72-H157 PolarHBondContact O-N 2.96Å; V73-H157 WeakPolarHBondContact CA-O 3.33Å; V73-H157 HydrophobicContact CB-CB 4.45Å; V73-H157 HydrophobicContact CG1-CB 4.45Å; V73-H157 HydrophobicContact CG2-CB 4.03Å; I74-H157 PolarHBondContact N-O 3.2Å
158	G	98.7	Very high	97.2	Very high	1 Å²	1	44 Å²	44	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	115	173	0	0	0	0	0	110.3	I74 V132 A170 F171	I74-G158 CarbonylContact O-C 3.59Å; V132-G158 VanDerWaalsContact CG1-CA 3.41Å; G158-A170 CarbonylContact O-C 3.56Å; G158-A170 WeakPolarHBondContact O-CA 3.26Å; G158-F171 WeakPolarHBondContact O-CB 3.23Å; G158-F171 PolarHBondContact O-N 3.43Å
159	W	98.8	Very high	97.3	Very high	40 Å²	40	45.3 Å²	45.3	15%	0.152	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	148.4	-178	-67.9	-1.4	0	0	0	111.3	F15 T29 V73 I74 C75 G76 I168 A169 L181	F15-W159 HydrophobicContact CE2-CE3 4.05Å; F15-W159 AromaticContact CE2-CZ3 3.88Å; F15-W159 HydrophobicContact CE2-CZ3 3.88Å; F15-W159 HydrophobicContact CZ-CE3 4.33Å; F15-W159 HydrophobicContact CZ-CZ3 4.48Å; T29-W159 HydrophobicContact CG2-CZ3 4.05Å; V73-W159 HydrophobicContact CG1-CB 4.36Å; V73-W159 HydrophobicContact CG1-CD2 3.73Å; V73-W159 HydrophobicContact CG1-CE3 3.84Å; V73-W159 HydrophobicContact CG1-CG 4Å; V73-W159 HydrophobicContact CG1-CZ3 4.4Å; I74-W159 PolarHBondContact O-N 3.23Å; C75-W159 CarbonylContact C-O 3.52Å; C75-W159 WeakPolarHBondContact CA-O 3.4Å; C75-W159 HydrophobicContact CB-CB 4.46Å; G76-W159 PolarHBondContact N-O 3.36Å; W159-I168 HydrophobicContact CB-CG2 3.78Å; W159-I168 HydrophobicContact CD2-CG2 3.94Å; W159-I168 HydrophobicContact CE3-CD1 4Å; W159-I168 HydrophobicContact CE3-CG2 4.14Å; W159-I168 HydrophobicContact CG-CG2 3.78Å; W159-I168 HydrophobicContact CZ3-CD1 4.15Å; W159-A169 CarbonylContact C-O 3.55Å; W159-A169 WeakPolarHBondContact CA-O 3.41Å; W159-L181 HydrophobicContact CD2-CD2 4.11Å; W159-L181 HydrophobicContact CE3-CD2 4.38Å; W159-L181 HydrophobicContact CH2-CD2 3.92Å; W159-L181 HydrophobicContact CZ2-CD1 4.43Å; W159-L181 HydrophobicContact CZ2-CD2 3.6Å; W159-L181 HydrophobicContact CZ3-CD2 4.29Å
160	V	98.7	Very high	97.4	Very high	17 Å²	17	44.7 Å²	44.7	10%	0.103	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	112	165.6	177.1	0	0	0	0	107.6	G76 V128 R129 V132 I168 A169 F178	G76-V160 WeakPolarHBondContact O-CA 3.39Å; V128-V160 HydrophobicContact CG1-CG1 3.91Å; V128-V160 HydrophobicContact CG1-CG2 4.08Å; R129-V160 HydrophobicContact CG-CG2 4.19Å; V132-V160 HydrophobicContact CG2-CG2 4Å; V160-I168 WeakPolarHBondContact O-CA 3.47Å; V160-A169 PolarHBondContact N-O 3.48Å; V160-A169 PolarHBondContact O-N 3.18Å; V160-F178 HydrophobicContact CB-CE1 4.47Å; V160-F178 HydrophobicContact CG2-CD1 4.22Å; V160-F178 HydrophobicContact CG2-CE1 3.65Å; V160-F178 HydrophobicContact CG2-CZ 4.1Å
161	Y	98.5	Very high	97.5	Very high	37 Å²	37	41.5 Å²	41.5	15%	0.145	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	120.7	175.3	176.3	-117.8	0	0	0	110.3	L23 V28 G76 H77 S78 I163 G166 I168	L23-Y161 HydrophobicContact CD1-CD1 3.74Å; L23-Y161 HydrophobicContact CD1-CE1 4.34Å; L23-Y161 HydrophobicContact CD1-CG 4.25Å; V28-Y161 HydrophobicContact CG1-CD2 3.96Å; V28-Y161 HydrophobicContact CG1-CE2 4.11Å; V28-Y161 HydrophobicContact CG1-CG 4.44Å; V28-Y161 HydrophobicContact CG2-CD1 4.32Å; V28-Y161 HydrophobicContact CG2-CD2 4.36Å; V28-Y161 HydrophobicContact CG2-CE1 3.97Å; V28-Y161 HydrophobicContact CG2-CE2 4.02Å; V28-Y161 HydrophobicContact CG2-CG 4.49Å; G76-Y161 PolarHBondContact O-N 2.91Å; H77-Y161 CarbonylContact C-O 3.46Å; H77-Y161 WeakPolarHBondContact CA-O 3.35Å; H77-Y161 WeakPolarHBondContact CB-O 3.19Å; S78-Y161 PolarHBondContact N-O 3.13Å; Y161-I163 HydrophobicContact CD1-CG1 3.88Å; Y161-I163 HydrophobicContact CE1-CB 4.38Å; Y161-I163 HydrophobicContact CE1-CG1 3.85Å; Y161-G166 WeakPolarHBondContact CE2-O 3.5Å; Y161-I168 HydrophobicContact CD2-CD1 4.5Å; Y161-I168 HydrophobicContact CD2-CG1 3.83Å
162	D	98	Very high	97.7	Very high	44 Å²	44	37.9 Å²	37.9	24%	0.235	21%	0.213	C	C	.	.			trans	-86.4	113.9	170.7	-176.4	-104.4	0	0	0	110.2	S78 E164 S165 G166 S167	S78-D162 VanDerWaalsContact CB-OD2 3.23Å; S78-D162 WeakPolarHBondContact CB-OD2 3.49Å; S78-D162 WeakPolarHBondContact OG-CA 3.47Å; S78-D162 PolarHBondContact OG-OD2 2.87Å; D162-E164 VanDerWaalsContact C-N 3.33Å; D162-E164 PolarHBondContact O-N 3.14Å; D162-E164 PolarHBondContact OD1-N 2.93Å; D162-S165 WeakPolarHBondContact CB-OG 3.49Å; D162-S165 VanDerWaalsContact OD1-CB 3.24Å; D162-S165 WeakPolarHBondContact OD1-CB 3.43Å; D162-S165 PolarHBondContact OD1-N 2.91Å; D162-S165 PolarHBondContact OD1-OG 3.5Å; D162-G166 WeakPolarHBondContact O-CA 3.5Å; D162-G166 PolarHBondContact O-N 3.49Å; D162-S167 PolarHBondContact N-O 3.24Å
163	I	96.4	Very high	97.7	Very high	42 Å²	42	38.4 Å²	38.4	22%	0.215	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-36	-175.3	-65.5	172.6	0	0	0	111.6	R22 H77 S78 Y161	R22-I163 HydrophobicContact CB-CD1 3.9Å; R22-I163 HydrophobicContact CB-CG2 4.29Å; H77-I163 HydrophobicContact CB-CD1 4.37Å; H77-I163 HydrophobicContact CB-CG1 4.43Å; H77-I163 WeakPolarHBondContact ND1-CD1 3.3Å; S78-I163 WeakPolarHBondContact O-CD1 3.31Å; S78-I163 PolarHBondContact OG-N 3.18Å; Y161-I163 HydrophobicContact CD1-CG1 3.88Å; Y161-I163 HydrophobicContact CE1-CB 4.38Å; Y161-I163 HydrophobicContact CE1-CG1 3.85Å
164	E	95.2	Very high	97.7	Very high	183 Å²	183	38.4 Å²	38.4	86%	0.855	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-48	-175.6	-178	174.2	-172.2	0	0	111.7	D162	D162-E164 VanDerWaalsContact C-N 3.33Å; D162-E164 PolarHBondContact O-N 3.14Å; D162-E164 PolarHBondContact OD1-N 2.93Å
165	S	96	Very high	97.7	Very high	79 Å²	79	42 Å²	42	55%	0.552	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-18.2	-178.3	65.3	0	0	0	0	114.1	D162 S167	D162-S165 WeakPolarHBondContact CB-OG 3.49Å; D162-S165 VanDerWaalsContact OD1-CB 3.24Å; D162-S165 WeakPolarHBondContact OD1-CB 3.43Å; D162-S165 PolarHBondContact OD1-N 2.91Å; D162-S165 PolarHBondContact OD1-OG 3.5Å; S165-S167 PolarHBondContact O-N 3.35Å; S165-S167 WeakPolarHBondContact OG-CB 3.48Å; S165-S167 PolarHBondContact OG-N 2.95Å; S165-S167 PolarHBondContact OG-OG 3.08Å
166	G	95.2	Very high	97.6	Very high	39 Å²	39	49.9 Å²	49.9	40%	0.402	29%	0.288	S	S	.	.			trans	72.5	6.7	-170.4	0	0	0	0	0	114.3	Y161 D162	Y161-G166 WeakPolarHBondContact CE2-O 3.5Å; D162-G166 WeakPolarHBondContact O-CA 3.5Å; D162-G166 PolarHBondContact O-N 3.49Å
167	S	97	Very high	97.6	Very high	66 Å²	66	55.9 Å²	55.9	46%	0.462	32%	0.317	S	S	.	.			trans	-80.1	155.5	-179.1	69.2	0	0	0	0	112.4	D162 S165	D162-S167 PolarHBondContact N-O 3.24Å; S165-S167 PolarHBondContact O-N 3.35Å; S165-S167 WeakPolarHBondContact OG-CB 3.48Å; S165-S167 PolarHBondContact OG-N 2.95Å; S165-S167 PolarHBondContact OG-OG 3.08Å
168	I	98.3	Very high	97.6	Very high	29 Å²	29	56.7 Å²	56.7	15%	0.149	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126	173.9	-62.8	169.8	0	0	0	109.1	V28 W159 V160 Y161 L181	V28-I168 HydrophobicContact CG1-CD1 3.7Å; W159-I168 HydrophobicContact CB-CG2 3.78Å; W159-I168 HydrophobicContact CD2-CG2 3.94Å; W159-I168 HydrophobicContact CE3-CD1 4Å; W159-I168 HydrophobicContact CE3-CG2 4.14Å; W159-I168 HydrophobicContact CG-CG2 3.78Å; W159-I168 HydrophobicContact CZ3-CD1 4.15Å; V160-I168 WeakPolarHBondContact O-CA 3.47Å; Y161-I168 HydrophobicContact CD2-CD1 4.5Å; Y161-I168 HydrophobicContact CD2-CG1 3.83Å; I168-L181 HydrophobicContact CB-CB 4.09Å; I168-L181 HydrophobicContact CB-CD2 4.06Å; I168-L181 HydrophobicContact CD1-CD2 4.25Å; I168-L181 HydrophobicContact CG2-CB 4.02Å; I168-L181 HydrophobicContact CG2-CD2 3.76Å; I168-L181 WeakPolarHBondContact O-CB 3.29Å; I168-L181 PolarHBondContact O-N 2.87Å
169	A	98.6	Very high	97.5	Very high	28 Å²	28	57.9 Å²	57.9	23%	0.231	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.2	164.7	0	0	0	0	0	109.2	W159 V160 F178 V179	W159-A169 CarbonylContact C-O 3.55Å; W159-A169 WeakPolarHBondContact CA-O 3.41Å; V160-A169 PolarHBondContact N-O 3.48Å; V160-A169 PolarHBondContact O-N 3.18Å; A169-F178 HydrophobicContact CB-CB 4.17Å; A169-F178 HydrophobicContact CB-CD1 4.23Å; A169-V179 CarbonylContact C-O 3.17Å; A169-V179 WeakPolarHBondContact CA-O 3.42Å
170	A	98.7	Very high	97.5	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.008	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	138.5	-179	0	0	0	0	0	110.9	G158 D172 F178 V179 L181 V187	G158-A170 CarbonylContact O-C 3.56Å; G158-A170 WeakPolarHBondContact O-CA 3.26Å; A170-D172 PolarHBondContact O-N 3.29Å; A170-F178 CarbonylContact O-C 3.34Å; A170-F178 WeakPolarHBondContact O-CA 3.45Å; A170-V179 PolarHBondContact N-O 3.32Å; A170-V179 PolarHBondContact O-N 2.89Å; A170-L181 HydrophobicContact CB-CB 4.08Å; A170-L181 HydrophobicContact CB-CD1 3.85Å; A170-L181 HydrophobicContact CB-CG 4.47Å; A170-V187 HydrophobicContact CB-CG1 3.4Å
171	F	98.8	Very high	97.5	Very high	11 Å²	11	60.3 Å²	60.3	5%	0.048	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	117.4	-179.7	-173.3	-111.1	0	0	0	110.2	I133 L136 G158 R176 F178 C188 A189	I133-F171 HydrophobicContact CD1-CD2 4.09Å; I133-F171 HydrophobicContact CD1-CE2 3.54Å; I133-F171 HydrophobicContact CD1-CZ 3.97Å; I133-F171 HydrophobicContact CG1-CD2 3.99Å; I133-F171 HydrophobicContact CG1-CE1 4.31Å; I133-F171 HydrophobicContact CG1-CE2 3.74Å; I133-F171 HydrophobicContact CG1-CG 4.38Å; I133-F171 HydrophobicContact CG1-CZ 3.91Å; L136-F171 HydrophobicContact CD1-CD1 4.1Å; G158-F171 WeakPolarHBondContact O-CB 3.23Å; G158-F171 PolarHBondContact O-N 3.43Å; F171-R176 HydrophobicContact CE2-CB 4.35Å; F171-R176 WeakPolarHBondContact CE2-O 3.12Å; F171-R176 HydrophobicContact CZ-CB 4.09Å; F171-R176 HydrophobicContact CZ-CG 4.44Å; F171-F178 HydrophobicContact CB-CD1 4.12Å; F171-F178 HydrophobicContact CB-CE1 3.71Å; F171-F178 HydrophobicContact CB-CE2 4.36Å; F171-F178 HydrophobicContact CB-CZ 3.85Å; F171-F178 AromaticContact CD2-CD2 3.86Å; F171-F178 HydrophobicContact CD2-CD2 3.86Å; F171-F178 HydrophobicContact CD2-CE1 4.45Å; F171-F178 AromaticContact CD2-CE2 3.59Å; F171-F178 HydrophobicContact CD2-CE2 3.59Å; F171-F178 HydrophobicContact CD2-CG 4.41Å; F171-F178 AromaticContact CD2-CZ 3.92Å; F171-F178 HydrophobicContact CD2-CZ 3.92Å; F171-F178 HydrophobicContact CE2-CE2 4.34Å; F171-F178 HydrophobicContact CG-CE2 4.34Å; F171-F178 HydrophobicContact CG-CZ 4.22Å; F171-C188 CarbonylContact O-C 3.58Å; F171-A189 HydrophobicContact CD1-CB 3.81Å; F171-A189 PolarHBondContact O-N 3.48Å
172	D	98.5	Very high	97.4	Very high	33 Å²	33	63.5 Å²	63.5	18%	0.176	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	114.3	171.5	-177.6	-2	0	0	0	110	A170 A174 T175 R176 Q177 V187	A170-D172 PolarHBondContact O-N 3.29Å; D172-A174 PolarHBondContact O-N 3.44Å; D172-A174 WeakPolarHBondContact OD1-CB 3.49Å; D172-A174 PolarHBondContact OD1-N 3.21Å; D172-T175 VanDerWaalsContact CB-OG1 3.28Å; D172-T175 WeakPolarHBondContact CB-OG1 3.48Å; D172-T175 WeakPolarHBondContact OD2-CB 3.37Å; D172-T175 VanDerWaalsContact OD2-CG2 3.25Å; D172-T175 WeakPolarHBondContact OD2-CG2 3.47Å; D172-T175 PolarHBondContact OD2-OG1 3.39Å; D172-R176 WeakPolarHBondContact O-CA 3.2Å; D172-R176 PolarHBondContact O-N 3.28Å; D172-Q177 PolarHBondContact N-O 2.97Å; D172-V187 VanDerWaalsContact CA-CG2 3.43Å; D172-V187 HydrophobicContact CB-CG2 3.4Å; D172-V187 VanDerWaalsContact CB-CG2 3.4Å
173	G	97.2	Very high	97.4	Very high	29 Å²	29	65 Å²	65	30%	0.299	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.9	176.4	0	0	0	0	0	114	C188 A189	G173-C188 PolarHBondContact N-O 3.49Å; G173-A189 VanDerWaalsContact CA-O 3.23Å; G173-A189 WeakPolarHBondContact CA-O 3.2Å
174	A	96.1	Very high	97.4	Very high	93 Å²	93	66.1 Å²	66.1	77%	0.769	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-45.7	-176.9	0	0	0	0	0	111.7	D172	D172-A174 PolarHBondContact O-N 3.44Å; D172-A174 WeakPolarHBondContact OD1-CB 3.49Å; D172-A174 PolarHBondContact OD1-N 3.21Å
175	T	97.2	Very high	97.4	Very high	77 Å²	77	62.3 Å²	62.3	47%	0.472	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-13.6	-179.5	61.6	0	0	0	0	113.4	D172 Q177	D172-T175 VanDerWaalsContact CB-OG1 3.28Å; D172-T175 WeakPolarHBondContact CB-OG1 3.48Å; D172-T175 WeakPolarHBondContact OD2-CB 3.37Å; D172-T175 VanDerWaalsContact OD2-CG2 3.25Å; D172-T175 WeakPolarHBondContact OD2-CG2 3.47Å; D172-T175 PolarHBondContact OD2-OG1 3.39Å; T175-Q177 PolarHBondContact O-N 2.87Å
176	R	96.8	Very high	97.3	Very high	170 Å²	170	69.9 Å²	69.9	64%	0.642	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	32.3	-172	-57.2	-177.5	58.8	82.6	4.6	113.3	F171 D172	F171-R176 HydrophobicContact CE2-CB 4.35Å; F171-R176 WeakPolarHBondContact CE2-O 3.12Å; F171-R176 HydrophobicContact CZ-CB 4.09Å; F171-R176 HydrophobicContact CZ-CG 4.44Å; D172-R176 WeakPolarHBondContact O-CA 3.2Å; D172-R176 PolarHBondContact O-N 3.28Å
177	Q	97.7	Very high	97.4	Very high	127 Å²	127	68.9 Å²	68.9	59%	0.593	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	153.4	178.2	-65.6	-172	-7	0	0	111.4	D172 T175	D172-Q177 PolarHBondContact N-O 2.97Å; T175-Q177 PolarHBondContact O-N 2.87Å
178	F	98.5	Very high	97.4	Very high	45 Å²	45	66.9 Å²	66.9	20%	0.197	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.8	168.5	-79.6	-90.1	0	0	0	109.3	R129 V132 I133 V160 A169 A170 F171	R129-F178 HydrophobicContact CB-CD2 4.11Å; R129-F178 HydrophobicContact CB-CE2 3.59Å; R129-F178 HydrophobicContact CB-CZ 4.1Å; R129-F178 HydrophobicContact CG-CD2 4Å; R129-F178 HydrophobicContact CG-CE2 3.88Å; R129-F178 HydrophobicContact CG-CZ 4.29Å; V132-F178 HydrophobicContact CB-CZ 4.21Å; V132-F178 HydrophobicContact CG1-CE1 4.4Å; V132-F178 HydrophobicContact CG1-CZ 4.14Å; I133-F178 HydrophobicContact CD1-CE2 4.05Å; I133-F178 HydrophobicContact CG1-CE2 4.22Å; I133-F178 HydrophobicContact CG1-CZ 4.41Å; V160-F178 HydrophobicContact CB-CE1 4.47Å; V160-F178 HydrophobicContact CG2-CD1 4.22Å; V160-F178 HydrophobicContact CG2-CE1 3.65Å; V160-F178 HydrophobicContact CG2-CZ 4.1Å; A169-F178 HydrophobicContact CB-CB 4.17Å; A169-F178 HydrophobicContact CB-CD1 4.23Å; A170-F178 CarbonylContact O-C 3.34Å; A170-F178 WeakPolarHBondContact O-CA 3.45Å; F171-F178 HydrophobicContact CB-CD1 4.12Å; F171-F178 HydrophobicContact CB-CE1 3.71Å; F171-F178 HydrophobicContact CB-CE2 4.36Å; F171-F178 HydrophobicContact CB-CZ 3.85Å; F171-F178 AromaticContact CD2-CD2 3.86Å; F171-F178 HydrophobicContact CD2-CD2 3.86Å; F171-F178 HydrophobicContact CD2-CE1 4.45Å; F171-F178 AromaticContact CD2-CE2 3.59Å; F171-F178 HydrophobicContact CD2-CE2 3.59Å; F171-F178 HydrophobicContact CD2-CG 4.41Å; F171-F178 AromaticContact CD2-CZ 3.92Å; F171-F178 HydrophobicContact CD2-CZ 3.92Å; F171-F178 HydrophobicContact CE2-CE2 4.34Å; F171-F178 HydrophobicContact CG-CE2 4.34Å; F171-F178 HydrophobicContact CG-CZ 4.22Å
179	V	98.5	Very high	97.3	Very high	26 Å²	26	66.1 Å²	66.1	16%	0.158	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	152	179.1	-62	0	0	0	0	110.4	A169 A170 L181 N184 V187	A169-V179 CarbonylContact C-O 3.17Å; A169-V179 WeakPolarHBondContact CA-O 3.42Å; A170-V179 PolarHBondContact N-O 3.32Å; A170-V179 PolarHBondContact O-N 2.89Å; V179-L181 PolarHBondContact O-N 3.07Å; V179-N184 HydrophobicContact CG2-CB 3.81Å; V179-V187 HydrophobicContact CG2-CB 4.29Å; V179-V187 HydrophobicContact CG2-CG1 4.11Å; V179-V187 HydrophobicContact CG2-CG2 3.94Å
180	P	98.3	Very high	97.3	Very high	80 Å²	80	66.7 Å²	66.7	52%	0.519	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	123.4	177.1	-22.9	33.6	0	0	0	111.2	A182 A183 N184	P180-A182 VanDerWaalsContact C-N 3.3Å; P180-A182 PolarHBondContact O-N 2.59Å; P180-A183 HydrophobicContact CB-CB 4.32Å; P180-A183 PolarHBondContact O-N 3.2Å; P180-N184 PolarHBondContact O-N 3.24Å; P180-N184 VanDerWaalsContact O-N 3.07Å; P180-N184 PolarHBondContact O-ND2 3.42Å
181	L	97.7	Very high	97.1	Very high	28 Å²	28	70.5 Å²	70.5	15%	0.147	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-37.7	-177.5	-179.9	62.8	0	0	0	111.6	W159 I168 A170 V179 A183 N184 P185 V187	W159-L181 HydrophobicContact CD2-CD2 4.11Å; W159-L181 HydrophobicContact CE3-CD2 4.38Å; W159-L181 HydrophobicContact CH2-CD2 3.92Å; W159-L181 HydrophobicContact CZ2-CD1 4.43Å; W159-L181 HydrophobicContact CZ2-CD2 3.6Å; W159-L181 HydrophobicContact CZ3-CD2 4.29Å; I168-L181 HydrophobicContact CB-CB 4.09Å; I168-L181 HydrophobicContact CB-CD2 4.06Å; I168-L181 HydrophobicContact CD1-CD2 4.25Å; I168-L181 HydrophobicContact CG2-CB 4.02Å; I168-L181 HydrophobicContact CG2-CD2 3.76Å; I168-L181 WeakPolarHBondContact O-CB 3.29Å; I168-L181 PolarHBondContact O-N 2.87Å; A170-L181 HydrophobicContact CB-CB 4.08Å; A170-L181 HydrophobicContact CB-CD1 3.85Å; A170-L181 HydrophobicContact CB-CG 4.47Å; V179-L181 PolarHBondContact O-N 3.07Å; L181-A183 PolarHBondContact O-N 2.79Å; L181-N184 CarbonylContact O-C 3.44Å; L181-N184 PolarHBondContact O-N 3.42Å; L181-P185 WeakPolarHBondContact O-CA 3.46Å; L181-V187 HydrophobicContact CD1-CG1 4.21Å
182	A	96.4	Very high	96.7	Very high	103 Å²	103	74.1 Å²	74.1	85%	0.851	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-34.2	178	0	0	0	0	0	112.9	P180	P180-A182 VanDerWaalsContact C-N 3.3Å; P180-A182 PolarHBondContact O-N 2.59Å
183	A	97.4	Very high	96	Very high	75 Å²	75	78.9 Å²	78.9	62%	0.62	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-20.7	176.3	0	0	0	0	0	112.8	P180 L181	P180-A183 HydrophobicContact CB-CB 4.32Å; P180-A183 PolarHBondContact O-N 3.2Å; L181-A183 PolarHBondContact O-N 2.79Å
184	N	97.4	Very high	94.7	Very high	66 Å²	66	85.6 Å²	85.6	35%	0.353	46%	0.464	S	S	.	.			trans	-131	61.1	-173.6	-57.1	-86.4	0	0	0	111.4	V179 P180 L181 R186 V187	V179-N184 HydrophobicContact CG2-CB 3.81Å; P180-N184 PolarHBondContact O-N 3.24Å; P180-N184 VanDerWaalsContact O-N 3.07Å; P180-N184 PolarHBondContact O-ND2 3.42Å; L181-N184 CarbonylContact O-C 3.44Å; L181-N184 PolarHBondContact O-N 3.42Å; N184-R186 PolarHBondContact O-N 3.36Å; N184-V187 HydrophobicContact CB-CB 4.08Å; N184-V187 HydrophobicContact CB-CG1 4.17Å; N184-V187 WeakPolarHBondContact O-CB 3.24Å; N184-V187 WeakPolarHBondContact O-CG1 3.44Å; N184-V187 PolarHBondContact O-N 3.09Å
185	P	94.9	Very high	92.9	Very high	104 Å²	104	87.1 Å²	87.1	68%	0.675	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-10.3	-168.2	27.2	-36.9	0	0	0	114.9	L181	L181-P185 WeakPolarHBondContact O-CA 3.46Å
186	R	94.3	Very high	91.1	Very high	237 Å²	237	89.4 Å²	89.4	89%	0.894	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	0.9	178.4	-62.5	-174	-179.2	-179.7	0.6	113.4	N184	N184-R186 PolarHBondContact O-N 3.36Å
187	V	96.6	Very high	89.2	Confident	18 Å²	18	86.3 Å²	86.3	11%	0.109	49%	0.492	C	S	.	.			trans	-66.2	140.1	-179.7	75.3	0	0	0	0	110.1	A170 D172 V179 L181 N184	A170-V187 HydrophobicContact CB-CG1 3.4Å; D172-V187 VanDerWaalsContact CA-CG2 3.43Å; D172-V187 HydrophobicContact CB-CG2 3.4Å; D172-V187 VanDerWaalsContact CB-CG2 3.4Å; V179-V187 HydrophobicContact CG2-CB 4.29Å; V179-V187 HydrophobicContact CG2-CG1 4.11Å; V179-V187 HydrophobicContact CG2-CG2 3.94Å; L181-V187 HydrophobicContact CD1-CG1 4.21Å; N184-V187 HydrophobicContact CB-CB 4.08Å; N184-V187 HydrophobicContact CB-CG1 4.17Å; N184-V187 WeakPolarHBondContact O-CB 3.24Å; N184-V187 WeakPolarHBondContact O-CG1 3.44Å; N184-V187 PolarHBondContact O-N 3.09Å
188	C	96.6	Very high	87.1	Confident	25 Å²	25	88.5 Å²	88.5	17%	0.169	53%	0.531	C	S	.	.			trans	-145.1	154.8	177.5	49	0	0	0	0	109.5	F171 G173 P191	F171-C188 CarbonylContact O-C 3.58Å; G173-C188 PolarHBondContact N-O 3.49Å; C188-P191 WeakPolarHBondContact SG-CA 3.45Å; C188-P191 WeakPolarHBondContact SG-CB 3.45Å
189	A	98.1	Very high	86.5	Confident	12 Å²	12	90.7 Å²	90.7	10%	0.099	55%	0.548	C	S	.	.	S	Bend	trans	-73.8	-40	174.3	0	0	0	0	0	110.3	L136 L156 F171 G173	L136-A189 HydrophobicContact CD1-CB 3.54Å; L136-A189 HydrophobicContact CD2-CB 4.05Å; L136-A189 HydrophobicContact CG-CB 4.41Å; L156-A189 WeakPolarHBondContact O-CB 3.46Å; L156-A189 PolarHBondContact O-N 2.83Å; F171-A189 HydrophobicContact CD1-CB 3.81Å; F171-A189 PolarHBondContact O-N 3.48Å; G173-A189 VanDerWaalsContact CA-O 3.23Å; G173-A189 WeakPolarHBondContact CA-O 3.2Å
190	I	97.2	Very high	85.9	Confident	40 Å²	40	94.1 Å²	94.1	21%	0.205	57%	0.568	C	S	.	*	B	Isolated β-bridge	trans	-139.8	112.2	173	-52.8	-174	0	0	0	108	Q140 L149 A155 L156	Q140-I190 HydrophobicContact CG-CD1 3.88Å; Q140-I190 VanDerWaalsContact OE1-CD1 3.23Å; L149-I190 HydrophobicContact CD2-CG2 3.98Å; A155-I190 WeakPolarHBondContact CA-O 3.49Å; L156-I190 HydrophobicContact CB-CB 4.14Å; L156-I190 HydrophobicContact CB-CG1 4.36Å; L156-I190 HydrophobicContact CD1-CD1 3.86Å; L156-I190 HydrophobicContact CD1-CG1 4.41Å; L156-I190 HydrophobicContact CG-CB 4.31Å; L156-I190 HydrophobicContact CG-CD1 4.41Å; L156-I190 PolarHBondContact N-O 2.84Å; L156-I190 PolarHBondContact O-N 2.81Å
191	P	94.7	Very high	85.2	Confident	82 Å²	82	94.8 Å²	94.8	53%	0.532	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-70.4	161.9	179	26.7	-32.4	0	0	0	112	C188 R193	C188-P191 WeakPolarHBondContact SG-CA 3.45Å; C188-P191 WeakPolarHBondContact SG-CB 3.45Å; P191-R193 PolarHBondContact O-N 2.78Å
192	L	90.8	Very high	84.4	Confident	86 Å²	86	98.8 Å²	98.8	45%	0.45	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-54.4	129.8	163.1	-69.3	167.1	0	0	0	108.9	G152 R153 A155 Q194	G152-L192 VanDerWaalsContact O-CD2 3.27Å; G152-L192 WeakPolarHBondContact O-CD2 3.39Å; R153-L192 VanDerWaalsContact C-CD2 3.41Å; A155-L192 HydrophobicContact CB-CG 4.17Å; L192-Q194 PolarHBondContact O-N 3.46Å
193	R	83.9	Confident	83.7	Confident	133 Å²	133	98.5 Å²	98.5	50%	0.502	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-63.8	125	172.7	-150.8	179.7	-161.3	170.1	9.8	108.2	E150 P191	E150-R193 VanDerWaalsContact CD-NH1 3.27Å; E150-R193 IonicContact OE1-NH1 3.53Å; E150-R193 IonicContact OE2-CZ 3.68Å; E150-R193 IonicContact OE2-NH1 2.68Å; E150-R193 PolarHBondContact OE2-NH1 3.24Å; E150-R193 IonicContact OE2-NH2 3.88Å; P191-R193 PolarHBondContact O-N 2.78Å
194	Q	68.7	Low	82.8	Confident	170 Å²	170	100.1 Å²	100.1	79%	0.794	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-64.2	141.3	170.8	-69.8	-173.2	-8.8	0	0	108.5	L192 T196	L192-Q194 PolarHBondContact O-N 3.46Å; Q194-T196 PolarHBondContact O-N 2.77Å
195	P	59.3	Low	81.7	Confident	126 Å²	126	102.5 Å²	102.5	82%	0.818	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-54.2	120.9	172.5	-10.4	18.1	0	0	0	107.7	A197	P195-A197 PolarHBondContact O-N 2.8Å
196	T	59.6	Low	80.7	Confident	125 Å²	125	102.4 Å²	102.4	77%	0.767	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-65.5	119.5	167.9	29.4	0	0	0	0	106	Q194 A198	Q194-T196 PolarHBondContact O-N 2.77Å; T196-A198 PolarHBondContact O-N 3.25Å
197	A	57.1	Low	79.6	Confident	105 Å²	105	91.2 Å²	91.2	87%	0.868	56%	0.561	S	S	*	*			trans	-58.7	113.6	171.5	0	0	0	0	0	107.2	P195	P195-A197 PolarHBondContact O-N 2.8Å
198	A	52.2	Low	78	Confident	172 Å²	172	97.8 Å²	97.8	100%	1.421	60%	0.602	S	S	*	*			trans	-73.2	0	175.3	0	0	0	0	0	110.9	T196	T196-A198 PolarHBondContact O-N 3.25Å

Retrieved 198 of 198 residues in 259.3 ms (Link to these results)

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