A0A077ZFA0_TRITR Loading...

Cyanate lyase

Catalyzes the reaction of cyanate with bicarbonate to produce ammonia and carbon dioxide.

AlphaFold DB , UniProt , Accession A0A077ZFA0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 174 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.6	Very low	46.9	Very low	245 Å²	245	173.3 Å²	173.3	100%	1.207	84%	0.839	S	S	*	*				0	125.6	0	-79.4	-179.3	170.1	0	0	108.4
2	L	43	Very low	47.4	Very low	177 Å²	177	167.3 Å²	167.3	93%	0.927	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-61.7	131.7	-175.6	-74.2	97.4	0	0	0	111.1
3	R	42	Very low	48.3	Very low	239 Å²	239	165.6 Å²	165.6	90%	0.902	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-70.5	130	169.4	-80.8	-176.8	172.5	-155.6	-1.6	108.9	L5	R3-L5 PolarHBondContact O-N 2.81Å
4	P	49.9	Very low	49.9	Very low	116 Å²	116	161.3 Å²	161.3	75%	0.753	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-64.7	128.3	176.6	23.7	-30.5	0	0	0	110.3	L6	P4-L6 PolarHBondContact O-N 2.96Å
5	L	48.9	Very low	51.8	Low	155 Å²	155	154.9 Å²	154.9	81%	0.812	78%	0.777	S	S	*	*			trans	-64.7	97.5	172.7	-149.9	85.6	0	0	0	107.3	R3 L7	R3-L5 PolarHBondContact O-N 2.81Å; L5-L7 VanDerWaalsContact C-N 3.3Å; L5-L7 HydrophobicContact CD2-CD1 4.29Å; L5-L7 PolarHBondContact O-N 3.3Å
6	L	48.4	Very low	54.2	Low	157 Å²	157	151.6 Å²	151.6	82%	0.822	76%	0.759	S	S	*	*			trans	-63.1	96	168.5	-81.1	151.7	0	0	0	107.1	P4 N8	P4-L6 PolarHBondContact O-N 2.96Å; L6-N8 PolarHBondContact O-N 3.46Å
7	L	46.4	Very low	56.5	Low	146 Å²	146	149.4 Å²	149.4	76%	0.764	76%	0.755	S	S	*	*			trans	-63	86.1	161.3	-91.6	92.3	0	0	0	107.1	L5 S9	L5-L7 VanDerWaalsContact C-N 3.3Å; L5-L7 HydrophobicContact CD2-CD1 4.29Å; L5-L7 PolarHBondContact O-N 3.3Å; L7-S9 PolarHBondContact O-N 3.12Å
8	N	43.6	Very low	58.6	Low	133 Å²	133	141.4 Å²	141.4	71%	0.711	72%	0.715	S	S	*	*			trans	-66.9	73.9	157	-103.5	-10.9	0	0	0	106.7	L6 R10	L6-N8 PolarHBondContact O-N 3.46Å; N8-R10 PolarHBondContact O-N 3.37Å
9	S	49.2	Very low	60.3	Low	92 Å²	92	138.1 Å²	138.1	64%	0.643	71%	0.707	S	S	*	*			trans	-71.8	76.8	160	74.4	0	0	0	0	106.5	L7 R11	L7-S9 PolarHBondContact O-N 3.12Å; S9-R11 PolarHBondContact O-N 3.07Å
10	R	47.4	Very low	62	Low	221 Å²	221	132 Å²	132	83%	0.834	68%	0.675	S	S	*	*			trans	-64.8	71.8	152.4	-73.3	-173.6	178.9	-164.1	0.6	106.1	N8 S12	N8-R10 PolarHBondContact O-N 3.37Å; R10-S12 PolarHBondContact O-N 3.44Å
11	R	48.9	Very low	63.4	Low	225 Å²	225	131.8 Å²	131.8	85%	0.849	68%	0.675	S	S	*	*			trans	-61.5	100.7	152.6	-83	-173.2	177.3	-175.7	-0.3	103.1	S9 F13	S9-R11 PolarHBondContact O-N 3.07Å; R11-F13 PolarHBondContact O-N 3.33Å
12	S	52.2	Low	65.4	Low	101 Å²	101	123.1 Å²	123.1	71%	0.706	64%	0.636	S	S	*	*			trans	-55	98.4	160.5	50.1	0	0	0	0	104.7	R10 V14	R10-S12 PolarHBondContact O-N 3.44Å; S12-V14 VanDerWaalsContact C-N 3.35Å; S12-V14 PolarHBondContact O-N 2.88Å
13	F	59.5	Low	67.7	Low	146 Å²	146	117.6 Å²	117.6	64%	0.64	62%	0.616	S	S	*	*			trans	-59.7	108.8	169	-173.6	-96.6	0	0	0	104.9	R11 S15	R11-F13 PolarHBondContact O-N 3.33Å; F13-S15 PolarHBondContact O-N 3.1Å
14	V	70.1	Confident	70.1	Confident	105 Å²	105	110.9 Å²	110.9	64%	0.636	60%	0.595	S	S	*	*			trans	-63.6	126.1	173.6	177.8	0	0	0	0	105	S12 E16	S12-V14 VanDerWaalsContact C-N 3.35Å; S12-V14 PolarHBondContact O-N 2.88Å; V14-E16 PolarHBondContact O-N 3.32Å
15	S	79.5	Confident	72.2	Confident	65 Å²	65	109 Å²	109	46%	0.455	58%	0.576	S	S	.	*			trans	-62.1	111.7	173.8	-171.2	0	0	0	0	108	F13 Q67 V94	F13-S15 PolarHBondContact O-N 3.1Å; S15-Q67 PolarHBondContact OG-NE2 2.99Å; S15-V94 VanDerWaalsContact OG-CG2 3.3Å; S15-V94 WeakPolarHBondContact OG-CG2 3.4Å
16	E	90.3	Very high	74.4	Confident	102 Å²	102	102.3 Å²	102.3	48%	0.477	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-87.6	141.2	-179.8	-69.2	-179.9	-178.8	0	0	110.4	V14 K93 V94	V14-E16 PolarHBondContact O-N 3.32Å; E16-K93 HydrophobicContact CB-CG 4.38Å; E16-K93 CarbonylContact O-C 3.57Å; E16-K93 WeakPolarHBondContact O-CA 3.32Å; E16-K93 WeakPolarHBondContact O-CB 3.25Å; E16-V94 PolarHBondContact O-N 2.85Å
17	V	92.8	Very high	76.5	Confident	114 Å²	114	98 Å²	98	69%	0.691	52%	0.516	S	S	*	.	B	Isolated β-bridge	trans	-74.5	144.1	167.8	-68.2	0	0	0	0	109.9	V94	V17-V94 HydrophobicContact CG1-CB 4.35Å
18	S	94	Very high	78.9	Confident	7 Å²	7	95.6 Å²	95.6	5%	0.049	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-59.7	143.1	175.1	174.8	0	0	0	0	111	I20 E90 V94	S18-I20 VanDerWaalsContact OG-CB 3.24Å; S18-I20 WeakPolarHBondContact OG-CB 3.49Å; S18-I20 WeakPolarHBondContact OG-CG1 3.23Å; S18-I20 PolarHBondContact OG-N 3.16Å; S18-E90 VanDerWaalsContact CB-OE1 3.31Å; S18-E90 WeakPolarHBondContact CB-OE1 3.48Å; S18-E90 PolarHBondContact OG-OE1 3.28Å; S18-V94 VanDerWaalsContact CB-O 3.31Å; S18-V94 WeakPolarHBondContact CB-O 3.48Å; S18-V94 PolarHBondContact N-O 2.89Å
19	S	91.6	Very high	81.4	Confident	78 Å²	78	89.8 Å²	89.8	55%	0.545	47%	0.469	S	S	.	.	S	Bend	trans	-85.1	4.4	170.5	57.7	0	0	0	0	112.5	L21	S19-L21 PolarHBondContact O-N 3.47Å
20	I	94	Very high	83.7	Confident	16 Å²	16	86.1 Å²	86.1	8%	0.082	44%	0.442	C	S	.	.			trans	-76.9	105.5	166.7	-63.6	171.5	0	0	0	106.8	S18 E25 K26 F29 E90	S18-I20 VanDerWaalsContact OG-CB 3.24Å; S18-I20 WeakPolarHBondContact OG-CB 3.49Å; S18-I20 WeakPolarHBondContact OG-CG1 3.23Å; S18-I20 PolarHBondContact OG-N 3.16Å; I20-E25 HydrophobicContact CB-CB 4.49Å; I20-E25 HydrophobicContact CG2-CB 3.79Å; I20-K26 VanDerWaalsContact CG2-CA 3.49Å; I20-K26 HydrophobicContact CG2-CB 3.69Å; I20-K26 VanDerWaalsContact CG2-N 3.27Å; I20-F29 HydrophobicContact CD1-CB 3.6Å; I20-F29 HydrophobicContact CD1-CD1 3.6Å; I20-F29 HydrophobicContact CD1-CD2 4.19Å; I20-F29 HydrophobicContact CD1-CE1 4.3Å; I20-F29 HydrophobicContact CD1-CG 3.53Å; I20-E90 HydrophobicContact CD1-CG 3.98Å
21	L	90.2	Very high	86.1	Confident	127 Å²	127	82.1 Å²	82.1	67%	0.665	43%	0.427	S	S	*	.			trans	-107.3	-15.5	-171.8	-61.1	178.6	0	0	0	112.7	S19 E25 M96	S19-L21 PolarHBondContact O-N 3.47Å; L21-E25 PolarHBondContact N-OE2 3.48Å; L21-M96 WeakPolarHBondContact O-CE 3.26Å
22	T	91.7	Very high	88.5	Confident	64 Å²	64	76.5 Å²	76.5	39%	0.393	41%	0.406	S	S	.	.	S	Bend	trans	-120	156.6	-177.2	68.8	0	0	0	0	112.3	Q24 E25 K26	T22-Q24 PolarHBondContact O-N 3.26Å; T22-E25 PolarHBondContact N-OE2 2.93Å; T22-E25 PolarHBondContact O-N 3.11Å; T22-E25 WeakPolarHBondContact OG1-CB 3.36Å; T22-E25 VanDerWaalsContact OG1-CD 3.27Å; T22-E25 WeakPolarHBondContact OG1-CG 3.37Å; T22-E25 PolarHBondContact OG1-N 2.86Å; T22-E25 VanDerWaalsContact OG1-N 3.14Å; T22-E25 PolarHBondContact OG1-OE2 3.38Å; T22-K26 PolarHBondContact O-N 2.88Å; T22-K26 VanDerWaalsContact O-N 3.08Å
23	A	90.7	Very high	90.7	Very high	60 Å²	60	71.7 Å²	71.7	50%	0.496	37%	0.372	S	S	.	.	H	α-helix	trans	-59.8	-34.6	172.4	0	0	0	0	0	112	K26 H27	A23-K26 PolarHBondContact O-N 2.88Å; A23-H27 WeakPolarHBondContact O-CB 3.44Å; A23-H27 PolarHBondContact O-N 3.14Å; A23-H27 PolarHBondContact O-ND1 3.33Å
24	Q	92.3	Very high	92.5	Very high	99 Å²	99	66.6 Å²	66.6	46%	0.463	35%	0.352	S	S	.	.	H	α-helix	trans	-66.3	-49.7	179.1	-179.1	60.2	23.9	0	0	111.9	T22 K26 H27 E28	T22-Q24 PolarHBondContact O-N 3.26Å; Q24-K26 VanDerWaalsContact C-N 3.27Å; Q24-K26 PolarHBondContact O-N 2.92Å; Q24-H27 WeakPolarHBondContact O-CB 3.45Å; Q24-H27 PolarHBondContact O-N 3.44Å; Q24-H27 VanDerWaalsContact O-N 3.12Å; Q24-E28 PolarHBondContact NE2-OE1 3.42Å; Q24-E28 WeakPolarHBondContact O-CG 3.43Å; Q24-E28 PolarHBondContact O-N 2.59Å
25	E	94.5	Very high	93.9	Very high	77 Å²	77	64.8 Å²	64.8	36%	0.36	34%	0.344	S	S	.	.	H	α-helix	trans	-59.6	-40.4	176	-70.2	162.3	148.2	0	0	111	I20 L21 T22 H27 E28 F29	I20-E25 HydrophobicContact CB-CB 4.49Å; I20-E25 HydrophobicContact CG2-CB 3.79Å; L21-E25 PolarHBondContact N-OE2 3.48Å; T22-E25 PolarHBondContact N-OE2 2.93Å; T22-E25 PolarHBondContact O-N 3.11Å; T22-E25 WeakPolarHBondContact OG1-CB 3.36Å; T22-E25 VanDerWaalsContact OG1-CD 3.27Å; T22-E25 WeakPolarHBondContact OG1-CG 3.37Å; T22-E25 PolarHBondContact OG1-N 2.86Å; T22-E25 VanDerWaalsContact OG1-N 3.14Å; T22-E25 PolarHBondContact OG1-OE2 3.38Å; E25-H27 PolarHBondContact O-N 3.08Å; E25-E28 PolarHBondContact O-N 3.48Å; E25-F29 WeakPolarHBondContact O-CB 3.5Å; E25-F29 PolarHBondContact O-N 3.43Å
26	K	94.2	Very high	94.8	Very high	13 Å²	13	62.1 Å²	62.1	6%	0.057	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-45.5	175	179.9	178.3	176	173.7	0	111	I20 T22 A23 Q24 E28 F29 V30 M96 R97 L98	I20-K26 VanDerWaalsContact CG2-CA 3.49Å; I20-K26 HydrophobicContact CG2-CB 3.69Å; I20-K26 VanDerWaalsContact CG2-N 3.27Å; T22-K26 PolarHBondContact O-N 2.88Å; T22-K26 VanDerWaalsContact O-N 3.08Å; A23-K26 PolarHBondContact O-N 2.88Å; Q24-K26 VanDerWaalsContact C-N 3.27Å; Q24-K26 PolarHBondContact O-N 2.92Å; K26-E28 VanDerWaalsContact C-N 3.33Å; K26-E28 PolarHBondContact O-N 2.86Å; K26-F29 PolarHBondContact O-N 3.01Å; K26-V30 HydrophobicContact CG-CG2 4.23Å; K26-V30 VanDerWaalsContact O-CB 3.32Å; K26-V30 WeakPolarHBondContact O-CB 3.42Å; K26-V30 VanDerWaalsContact O-CG2 3.24Å; K26-V30 WeakPolarHBondContact O-CG2 3.44Å; K26-V30 PolarHBondContact O-N 3.04Å; K26-M96 WeakPolarHBondContact CD-O 3.45Å; K26-M96 WeakPolarHBondContact CE-O 3.5Å; K26-M96 PolarHBondContact NZ-O 3.44Å; K26-R97 PolarHBondContact NZ-O 2.98Å; K26-L98 PolarHBondContact NZ-O 2.9Å
27	H	94.1	Very high	95.2	Very high	68 Å²	68	59.1 Å²	59.1	32%	0.315	31%	0.311	S	S	.	.	H	α-helix	trans	-62.6	-39.5	177.9	-70.1	154.6	0	0	0	112.3	A23 Q24 E25 R31	A23-H27 WeakPolarHBondContact O-CB 3.44Å; A23-H27 PolarHBondContact O-N 3.14Å; A23-H27 PolarHBondContact O-ND1 3.33Å; Q24-H27 WeakPolarHBondContact O-CB 3.45Å; Q24-H27 PolarHBondContact O-N 3.44Å; Q24-H27 VanDerWaalsContact O-N 3.12Å; E25-H27 PolarHBondContact O-N 3.08Å; H27-R31 VanDerWaalsContact O-CB 3.26Å; H27-R31 WeakPolarHBondContact O-CB 3.21Å; H27-R31 VanDerWaalsContact O-CG 3.23Å; H27-R31 WeakPolarHBondContact O-CG 3.45Å; H27-R31 PolarHBondContact O-N 3.01Å; H27-R31 PolarHBondContact O-NE 3.42Å
28	E	95.9	Very high	95.5	Very high	95 Å²	95	63.1 Å²	63.1	44%	0.444	31%	0.314	S	S	.	.	H	α-helix	trans	-65.5	-45	176.6	-72.6	170.4	-172.1	0	0	111.8	Q24 E25 K26 R31 R32	Q24-E28 PolarHBondContact NE2-OE1 3.42Å; Q24-E28 WeakPolarHBondContact O-CG 3.43Å; Q24-E28 PolarHBondContact O-N 2.59Å; E25-E28 PolarHBondContact O-N 3.48Å; K26-E28 VanDerWaalsContact C-N 3.33Å; K26-E28 PolarHBondContact O-N 2.86Å; E28-R31 PolarHBondContact O-N 3.44Å; E28-R32 WeakPolarHBondContact O-CB 3.5Å; E28-R32 PolarHBondContact O-N 2.9Å
29	F	97.1	Very high	95.7	Very high	10 Å²	10	66 Å²	66	4%	0.044	34%	0.338	C	S	.	.	H	α-helix	trans	-60.5	-50.6	175	-179.4	-115.7	0	0	0	112.1	I20 E25 K26 R31 R32 I33 N64 E90 M91	I20-F29 HydrophobicContact CD1-CB 3.6Å; I20-F29 HydrophobicContact CD1-CD1 3.6Å; I20-F29 HydrophobicContact CD1-CD2 4.19Å; I20-F29 HydrophobicContact CD1-CE1 4.3Å; I20-F29 HydrophobicContact CD1-CG 3.53Å; E25-F29 WeakPolarHBondContact O-CB 3.5Å; E25-F29 PolarHBondContact O-N 3.43Å; K26-F29 PolarHBondContact O-N 3.01Å; F29-R31 PolarHBondContact O-N 3.19Å; F29-R32 VanDerWaalsContact CD2-NH2 3.31Å; F29-R32 WeakPolarHBondContact O-CB 3.42Å; F29-R32 PolarHBondContact O-N 3.04Å; F29-R32 VanDerWaalsContact O-N 3.1Å; F29-I33 HydrophobicContact CD1-CD1 4.17Å; F29-I33 HydrophobicContact CD2-CG2 4.43Å; F29-I33 HydrophobicContact CE1-CD1 3.81Å; F29-I33 HydrophobicContact CE2-CG2 3.95Å; F29-I33 HydrophobicContact CZ-CD1 4.24Å; F29-I33 HydrophobicContact CZ-CG2 4.02Å; F29-I33 PolarHBondContact O-N 3.38Å; F29-N64 HydrophobicContact CD1-CB 4.01Å; F29-N64 HydrophobicContact CE1-CB 4.14Å; F29-E90 HydrophobicContact CD2-CG 4.25Å; F29-E90 HydrophobicContact CE1-CG 4.19Å; F29-E90 HydrophobicContact CE2-CB 3.75Å; F29-E90 HydrophobicContact CE2-CG 3.7Å; F29-E90 HydrophobicContact CZ-CB 3.73Å; F29-E90 HydrophobicContact CZ-CG 3.66Å; F29-M91 HydrophobicContact CE1-CG 4.21Å; F29-M91 HydrophobicContact CZ-CG 3.78Å
30	V	96.9	Very high	96	Very high	15 Å²	15	63.4 Å²	63.4	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-59.6	-44.6	178.1	167.3	0	0	0	0	111.1	K26 R32 I33 L34 Y63 N64	K26-V30 HydrophobicContact CG-CG2 4.23Å; K26-V30 VanDerWaalsContact O-CB 3.32Å; K26-V30 WeakPolarHBondContact O-CB 3.42Å; K26-V30 VanDerWaalsContact O-CG2 3.24Å; K26-V30 WeakPolarHBondContact O-CG2 3.44Å; K26-V30 PolarHBondContact O-N 3.04Å; V30-R32 VanDerWaalsContact C-N 3.26Å; V30-R32 PolarHBondContact O-N 3.2Å; V30-I33 WeakPolarHBondContact O-CG1 3.3Å; V30-I33 PolarHBondContact O-N 3.06Å; V30-L34 HydrophobicContact CG1-CD1 3.57Å; V30-L34 HydrophobicContact CG1-CG 4.15Å; V30-L34 VanDerWaalsContact O-CB 3.27Å; V30-L34 WeakPolarHBondContact O-CB 3.44Å; V30-L34 VanDerWaalsContact O-CG 3.3Å; V30-L34 WeakPolarHBondContact O-CG 3.24Å; V30-L34 PolarHBondContact O-N 2.95Å; V30-Y63 HydrophobicContact CG1-CD1 3.96Å; V30-Y63 HydrophobicContact CG1-CE1 4.5Å; V30-Y63 WeakPolarHBondContact CG2-O 3.32Å; V30-N64 HydrophobicContact CG2-CB 3.75Å
31	R	97.8	Very high	96.2	Very high	137 Å²	137	66 Å²	66	52%	0.517	35%	0.351	S	S	.	.	H	α-helix	trans	-55.6	-43.1	174.8	-84.3	-178.7	-102.4	137.3	-3.9	111.4	H27 E28 F29 S35	H27-R31 VanDerWaalsContact O-CB 3.26Å; H27-R31 WeakPolarHBondContact O-CB 3.21Å; H27-R31 VanDerWaalsContact O-CG 3.23Å; H27-R31 WeakPolarHBondContact O-CG 3.45Å; H27-R31 PolarHBondContact O-N 3.01Å; H27-R31 PolarHBondContact O-NE 3.42Å; E28-R31 PolarHBondContact O-N 3.44Å; F29-R31 PolarHBondContact O-N 3.19Å; R31-S35 WeakPolarHBondContact O-CB 3.47Å; R31-S35 PolarHBondContact O-N 3.1Å
32	R	98.4	Very high	96.6	Very high	107 Å²	107	61 Å²	61	40%	0.404	32%	0.324	S	S	.	.	H	α-helix	trans	-68.1	-48.7	-178.3	-169	170.1	46.1	60.8	-24.6	112.2	E28 F29 V30 S35 A36 D87	E28-R32 WeakPolarHBondContact O-CB 3.5Å; E28-R32 PolarHBondContact O-N 2.9Å; F29-R32 VanDerWaalsContact CD2-NH2 3.31Å; F29-R32 WeakPolarHBondContact O-CB 3.42Å; F29-R32 PolarHBondContact O-N 3.04Å; F29-R32 VanDerWaalsContact O-N 3.1Å; V30-R32 VanDerWaalsContact C-N 3.26Å; V30-R32 PolarHBondContact O-N 3.2Å; R32-S35 WeakPolarHBondContact O-CB 3.33Å; R32-S35 PolarHBondContact O-N 3.18Å; R32-A36 PolarHBondContact O-N 3.36Å; R32-D87 IonicContact CZ-OD1 2.69Å; R32-D87 IonicContact NH1-OD1 3.91Å; R32-D87 PolarHBondContact NH1-OD1 3.46Å; R32-D87 IonicContact NH1-OD2 3.62Å; R32-D87 PolarHBondContact NH1-OD2 3.4Å; R32-D87 IonicContact NH2-OD1 2.72Å; R32-D87 PolarHBondContact NH2-OD1 2.84Å
33	I	98.6	Very high	97	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-71.2	-31.9	179.6	65	-176.9	0	0	0	112.8	F29 V30 S35 A36 K37 F62 L83 D87	F29-I33 HydrophobicContact CD1-CD1 4.17Å; F29-I33 HydrophobicContact CD2-CG2 4.43Å; F29-I33 HydrophobicContact CE1-CD1 3.81Å; F29-I33 HydrophobicContact CE2-CG2 3.95Å; F29-I33 HydrophobicContact CZ-CD1 4.24Å; F29-I33 HydrophobicContact CZ-CG2 4.02Å; F29-I33 PolarHBondContact O-N 3.38Å; V30-I33 WeakPolarHBondContact O-CG1 3.3Å; V30-I33 PolarHBondContact O-N 3.06Å; I33-S35 VanDerWaalsContact C-N 3.32Å; I33-A36 PolarHBondContact O-N 3.34Å; I33-K37 PolarHBondContact O-N 3.32Å; I33-F62 HydrophobicContact CB-CD1 4.32Å; I33-F62 VanDerWaalsContact CD1-O 3.25Å; I33-F62 WeakPolarHBondContact CD1-O 3.37Å; I33-F62 HydrophobicContact CG1-CD1 4.34Å; I33-F62 WeakPolarHBondContact CG1-O 3.27Å; I33-L83 HydrophobicContact CB-CD2 3.82Å; I33-L83 HydrophobicContact CG2-CD2 3.81Å; I33-D87 HydrophobicContact CG2-CB 4.06Å
34	L	98.7	Very high	97.3	Very high	39 Å²	39	59.5 Å²	59.5	20%	0.204	31%	0.307	C	S	.	.	H	α-helix	trans	-67.9	-32.4	170.2	-74	174.5	0	0	0	112.2	V30 K37 R38 F44 F62 Y63	V30-L34 HydrophobicContact CG1-CD1 3.57Å; V30-L34 HydrophobicContact CG1-CG 4.15Å; V30-L34 VanDerWaalsContact O-CB 3.27Å; V30-L34 WeakPolarHBondContact O-CB 3.44Å; V30-L34 VanDerWaalsContact O-CG 3.3Å; V30-L34 WeakPolarHBondContact O-CG 3.24Å; V30-L34 PolarHBondContact O-N 2.95Å; L34-K37 WeakPolarHBondContact O-CB 3.47Å; L34-K37 PolarHBondContact O-N 3.04Å; L34-R38 WeakPolarHBondContact O-CB 3.35Å; L34-R38 PolarHBondContact O-N 2.88Å; L34-F44 HydrophobicContact CD2-CZ 4.06Å; L34-F62 HydrophobicContact CD2-CB 3.84Å; L34-Y63 HydrophobicContact CD1-CD1 4.38Å; L34-Y63 HydrophobicContact CD1-CE1 3.91Å
35	S	98.7	Very high	97.6	Very high	67 Å²	67	58.4 Å²	58.4	47%	0.469	30%	0.304	S	S	.	.	H	α-helix	trans	-66.4	-43.2	173	-164.7	0	0	0	0	111.1	R31 R32 I33 K37 R38 A39	R31-S35 WeakPolarHBondContact O-CB 3.47Å; R31-S35 PolarHBondContact O-N 3.1Å; R32-S35 WeakPolarHBondContact O-CB 3.33Å; R32-S35 PolarHBondContact O-N 3.18Å; I33-S35 VanDerWaalsContact C-N 3.32Å; S35-K37 PolarHBondContact O-N 3.42Å; S35-R38 WeakPolarHBondContact O-CB 3.36Å; S35-R38 PolarHBondContact O-N 2.82Å; S35-R38 VanDerWaalsContact O-N 3.16Å; S35-A39 WeakPolarHBondContact O-CB 3.32Å; S35-A39 PolarHBondContact O-N 3.42Å
36	A	98.7	Very high	97.8	Very high	10 Å²	10	58 Å²	58	8%	0.083	30%	0.304	C	S	.	.	H	α-helix	trans	-59.5	-44.5	172.1	0	0	0	0	0	112.2	R32 I33 R38 A39 S40 V80 Q82 L83	R32-A36 PolarHBondContact O-N 3.36Å; I33-A36 PolarHBondContact O-N 3.34Å; A36-R38 VanDerWaalsContact C-N 3.34Å; A36-R38 PolarHBondContact O-N 3.33Å; A36-A39 PolarHBondContact O-N 3.26Å; A36-S40 PolarHBondContact O-N 3.06Å; A36-S40 VanDerWaalsContact O-N 3.13Å; A36-V80 HydrophobicContact CB-CG1 4.48Å; A36-Q82 HydrophobicContact CB-CB 3.94Å; A36-L83 HydrophobicContact CB-CD2 3.73Å; A36-L83 HydrophobicContact CB-CG 4.03Å
37	K	98.8	Very high	98	Very high	39 Å²	39	57.4 Å²	57.4	17%	0.17	30%	0.302	C	S	.	.	H	α-helix	trans	-56.6	-45.9	172.1	-173.9	-85.6	-174.8	-160.2	0	111.7	I33 L34 S35 A39 S40 L42 F44 I47 F62	I33-K37 PolarHBondContact O-N 3.32Å; L34-K37 WeakPolarHBondContact O-CB 3.47Å; L34-K37 PolarHBondContact O-N 3.04Å; S35-K37 PolarHBondContact O-N 3.42Å; K37-A39 VanDerWaalsContact C-N 3.34Å; K37-S40 PolarHBondContact O-N 3.18Å; K37-S40 PolarHBondContact O-OG 2.72Å; K37-L42 WeakPolarHBondContact CE-O 3.31Å; K37-L42 PolarHBondContact NZ-O 3.13Å; K37-F44 HydrophobicContact CD-CE1 4.5Å; K37-F44 HydrophobicContact CG-CE1 4.29Å; K37-I47 HydrophobicContact CG-CD1 3.69Å; K37-F62 HydrophobicContact CB-CD1 3.81Å; K37-F62 HydrophobicContact CB-CE1 3.57Å; K37-F62 HydrophobicContact CB-CZ 4.16Å; K37-F62 HydrophobicContact CG-CD1 4.25Å; K37-F62 HydrophobicContact CG-CE1 4.06Å; K37-F62 HydrophobicContact CG-CZ 4.2Å
38	R	98.6	Very high	98.2	Very high	198 Å²	198	54.2 Å²	54.2	75%	0.747	29%	0.287	S	S	*	.	H	α-helix	trans	-63.4	-42.5	179.3	-174.4	-177.1	-64.3	157.1	-0.1	111.2	L34 S35 A36 S40 G41	L34-R38 WeakPolarHBondContact O-CB 3.35Å; L34-R38 PolarHBondContact O-N 2.88Å; S35-R38 WeakPolarHBondContact O-CB 3.36Å; S35-R38 PolarHBondContact O-N 2.82Å; S35-R38 VanDerWaalsContact O-N 3.16Å; A36-R38 VanDerWaalsContact C-N 3.34Å; A36-R38 PolarHBondContact O-N 3.33Å; R38-S40 PolarHBondContact O-N 3.16Å; R38-G41 PolarHBondContact O-N 3.44Å; R38-G41 VanDerWaalsContact O-N 3.11Å
39	A	98.5	Very high	98.3	Very high	66 Å²	66	55.4 Å²	55.4	55%	0.545	30%	0.297	S	S	.	.	H	α-helix	trans	-67.8	-19.7	180	0	0	0	0	0	113.8	S35 A36 K37 G41 Q82	S35-A39 WeakPolarHBondContact O-CB 3.32Å; S35-A39 PolarHBondContact O-N 3.42Å; A36-A39 PolarHBondContact O-N 3.26Å; K37-A39 VanDerWaalsContact C-N 3.34Å; A39-G41 VanDerWaalsContact C-N 3.29Å; A39-Q82 HydrophobicContact CB-CB 4.42Å; A39-Q82 HydrophobicContact CB-CG 3.89Å; A39-Q82 PolarHBondContact O-NE2 3.13Å
40	S	98.2	Very high	98.4	Very high	25 Å²	25	61.5 Å²	61.5	18%	0.175	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-16.6	172.2	76.2	0	0	0	0	113.7	A36 K37 R38 L42 Q82	A36-S40 PolarHBondContact O-N 3.06Å; A36-S40 VanDerWaalsContact O-N 3.13Å; K37-S40 PolarHBondContact O-N 3.18Å; K37-S40 PolarHBondContact O-OG 2.72Å; R38-S40 PolarHBondContact O-N 3.16Å; S40-L42 PolarHBondContact O-N 2.8Å; S40-L42 PolarHBondContact OG-N 3.28Å; S40-Q82 VanDerWaalsContact CB-OE1 3.3Å
41	G	98.3	Very high	98.4	Very high	70 Å²	70	60.9 Å²	60.9	72%	0.722	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	5.3	-176.1	0	0	0	0	0	114.6	R38 A39	R38-G41 PolarHBondContact O-N 3.44Å; R38-G41 VanDerWaalsContact O-N 3.11Å; A39-G41 VanDerWaalsContact C-N 3.29Å
42	L	98.6	Very high	98.4	Very high	22 Å²	22	61.7 Å²	61.7	12%	0.115	33%	0.325	C	S	.	.			trans	-91.5	145.9	-177.1	-59.9	179.4	0	0	0	112.1	K37 S40 D46 I47 A79	K37-L42 WeakPolarHBondContact CE-O 3.31Å; K37-L42 PolarHBondContact NZ-O 3.13Å; S40-L42 PolarHBondContact O-N 2.8Å; S40-L42 PolarHBondContact OG-N 3.28Å; L42-D46 HydrophobicContact CB-CB 3.92Å; L42-D46 HydrophobicContact CD2-CB 4.07Å; L42-D46 HydrophobicContact CG-CB 4.43Å; L42-I47 HydrophobicContact CB-CD1 4.14Å; L42-I47 HydrophobicContact CB-CG1 3.8Å; L42-I47 HydrophobicContact CD1-CG1 4.02Å; L42-A79 WeakPolarHBondContact CD1-O 3.15Å
43	S	98.5	Very high	98.4	Very high	43 Å²	43	58.5 Å²	58.5	30%	0.301	32%	0.316	S	S	.	.			trans	-73.6	171	166.8	69.5	0	0	0	0	111.5	D45 D46 I47	S43-D45 VanDerWaalsContact C-N 3.28Å; S43-D45 PolarHBondContact OG-N 2.89Å; S43-D46 WeakPolarHBondContact CB-OD2 3.16Å; S43-D46 PolarHBondContact N-OD2 3.08Å; S43-D46 PolarHBondContact OG-N 3.24Å; S43-D46 PolarHBondContact OG-OD2 2.73Å; S43-I47 WeakPolarHBondContact O-CD1 3.24Å; S43-I47 WeakPolarHBondContact O-CG1 3.49Å; S43-I47 PolarHBondContact O-N 3.19Å
44	F	98.6	Very high	98.3	Very high	49 Å²	49	59.6 Å²	59.6	22%	0.215	32%	0.324	C	S	.	.	H	α-helix	trans	-66.9	-33.7	170.8	-75.9	-61.2	0	0	0	111.5	L34 K37 I47 A48 A59 F62	L34-F44 HydrophobicContact CD2-CZ 4.06Å; K37-F44 HydrophobicContact CD-CE1 4.5Å; K37-F44 HydrophobicContact CG-CE1 4.29Å; F44-I47 PolarHBondContact O-N 3.34Å; F44-A48 WeakPolarHBondContact O-CB 3.31Å; F44-A48 PolarHBondContact O-N 3.05Å; F44-A59 HydrophobicContact CD1-CB 4.09Å; F44-A59 HydrophobicContact CD2-CB 4.18Å; F44-A59 HydrophobicContact CE1-CB 4.12Å; F44-A59 HydrophobicContact CE2-CB 4.19Å; F44-A59 HydrophobicContact CG-CB 4.13Å; F44-A59 HydrophobicContact CZ-CB 4.16Å; F44-F62 HydrophobicContact CD1-CD2 4.22Å; F44-F62 HydrophobicContact CE1-CB 3.86Å; F44-F62 AromaticContact CE1-CD2 3.66Å; F44-F62 HydrophobicContact CE1-CD2 3.66Å; F44-F62 HydrophobicContact CE1-CE2 4.45Å; F44-F62 AromaticContact CE1-CG 3.9Å; F44-F62 HydrophobicContact CE1-CG 3.9Å; F44-F62 HydrophobicContact CZ-CB 4.29Å
45	D	98.5	Very high	98.3	Very high	77 Å²	77	58.9 Å²	58.9	41%	0.412	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-44.9	174.7	-61.7	-63.2	0	0	0	111.7	S43 I47 A48 N49 N55	S43-D45 VanDerWaalsContact C-N 3.28Å; S43-D45 PolarHBondContact OG-N 2.89Å; D45-I47 VanDerWaalsContact C-N 3.33Å; D45-I47 PolarHBondContact O-N 3.03Å; D45-A48 PolarHBondContact O-N 2.99Å; D45-N49 VanDerWaalsContact O-CB 3.3Å; D45-N49 WeakPolarHBondContact O-CB 3.31Å; D45-N49 PolarHBondContact O-N 3.3Å; D45-N49 PolarHBondContact O-ND2 3.21Å; D45-N49 VanDerWaalsContact O-ND2 3.14Å; D45-N55 WeakPolarHBondContact OD1-CB 3.44Å; D45-N55 PolarHBondContact OD1-ND2 2.9Å
46	D	98.6	Very high	98.3	Very high	68 Å²	68	57.3 Å²	57.3	36%	0.364	31%	0.308	S	S	.	.	H	α-helix	trans	-58.5	-45.7	177	-66.5	-48.9	0	0	0	111.8	L42 S43 R50	L42-D46 HydrophobicContact CB-CB 3.92Å; L42-D46 HydrophobicContact CD2-CB 4.07Å; L42-D46 HydrophobicContact CG-CB 4.43Å; S43-D46 WeakPolarHBondContact CB-OD2 3.16Å; S43-D46 PolarHBondContact N-OD2 3.08Å; S43-D46 PolarHBondContact OG-N 3.24Å; S43-D46 PolarHBondContact OG-OD2 2.73Å; D46-R50 VanDerWaalsContact O-CG 3.25Å; D46-R50 WeakPolarHBondContact O-CG 3.46Å; D46-R50 PolarHBondContact O-N 2.51Å; D46-R50 VanDerWaalsContact O-N 3.12Å
47	I	98.7	Very high	98.2	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-70.2	-43.2	-179.2	-60.9	164.4	0	0	0	110.2	K37 L42 S43 F44 D45 N49 R50 C51 C58 F62 L76 A79 V80	K37-I47 HydrophobicContact CG-CD1 3.69Å; L42-I47 HydrophobicContact CB-CD1 4.14Å; L42-I47 HydrophobicContact CB-CG1 3.8Å; L42-I47 HydrophobicContact CD1-CG1 4.02Å; S43-I47 WeakPolarHBondContact O-CD1 3.24Å; S43-I47 WeakPolarHBondContact O-CG1 3.49Å; S43-I47 PolarHBondContact O-N 3.19Å; F44-I47 PolarHBondContact O-N 3.34Å; D45-I47 VanDerWaalsContact C-N 3.33Å; D45-I47 PolarHBondContact O-N 3.03Å; I47-N49 VanDerWaalsContact C-N 3.35Å; I47-N49 PolarHBondContact O-N 3.18Å; I47-R50 PolarHBondContact O-N 3.31Å; I47-C51 WeakPolarHBondContact O-CB 3.39Å; I47-C51 PolarHBondContact O-N 3.49Å; I47-C51 PolarHBondContact O-SG 2.81Å; I47-C58 VanDerWaalsContact CG2-SG 3.54Å; I47-F62 HydrophobicContact CD1-CE2 4.11Å; I47-F62 HydrophobicContact CD1-CZ 4.13Å; I47-F62 HydrophobicContact CG2-CE2 4.16Å; I47-L76 HydrophobicContact CG2-CD1 3.58Å; I47-A79 HydrophobicContact CG2-CB 4.43Å; I47-V80 HydrophobicContact CD1-CG2 3.71Å; I47-V80 HydrophobicContact CG1-CG2 3.91Å; I47-V80 HydrophobicContact CG2-CG2 4.31Å
48	A	98.4	Very high	98.2	Very high	2 Å²	2	58.5 Å²	58.5	2%	0.017	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-44.8	178.1	0	0	0	0	0	111.4	F44 D45 C51 Q52 L53 N55 C58	F44-A48 WeakPolarHBondContact O-CB 3.31Å; F44-A48 PolarHBondContact O-N 3.05Å; D45-A48 PolarHBondContact O-N 2.99Å; A48-C51 CarbonylContact O-C 3.57Å; A48-C51 PolarHBondContact O-N 2.85Å; A48-Q52 WeakPolarHBondContact O-CA 3.43Å; A48-Q52 PolarHBondContact O-N 2.92Å; A48-L53 PolarHBondContact O-N 2.9Å; A48-N55 HydrophobicContact CB-CB 4.26Å; A48-C58 HydrophobicContact CB-CB 3.74Å
49	N	98.2	Very high	98.2	Very high	119 Å²	119	49.9 Å²	49.9	64%	0.636	28%	0.281	S	S	*	.	H	α-helix	trans	-60.9	-46.1	175.9	-73	-27	0	0	0	111.9	D45 I47 C51 Q52	D45-N49 VanDerWaalsContact O-CB 3.3Å; D45-N49 WeakPolarHBondContact O-CB 3.31Å; D45-N49 PolarHBondContact O-N 3.3Å; D45-N49 PolarHBondContact O-ND2 3.21Å; D45-N49 VanDerWaalsContact O-ND2 3.14Å; I47-N49 VanDerWaalsContact C-N 3.35Å; I47-N49 PolarHBondContact O-N 3.18Å; N49-C51 VanDerWaalsContact C-N 3.25Å; N49-C51 PolarHBondContact O-N 3.24Å; N49-Q52 PolarHBondContact O-N 2.67Å
50	R	98.1	Very high	98.1	Very high	139 Å²	139	49.8 Å²	49.8	53%	0.525	27%	0.269	S	S	.	.	H	α-helix	trans	-63.3	-31.4	176.3	-70.2	174.1	-169.4	-152.6	2.3	112.8	D46 I47 A79	D46-R50 VanDerWaalsContact O-CG 3.25Å; D46-R50 WeakPolarHBondContact O-CG 3.46Å; D46-R50 PolarHBondContact O-N 2.51Å; D46-R50 VanDerWaalsContact O-N 3.12Å; I47-R50 PolarHBondContact O-N 3.31Å; R50-A79 HydrophobicContact CB-CB 4.04Å
51	C	98	Very high	98.1	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.007	26%	0.261	C	S	.	.	H	α-helix	trans	-92.3	-9.8	-179.3	-61.7	0	0	0	0	113.9	I47 A48 N49 L53 T72 K75	I47-C51 WeakPolarHBondContact O-CB 3.39Å; I47-C51 PolarHBondContact O-N 3.49Å; I47-C51 PolarHBondContact O-SG 2.81Å; A48-C51 CarbonylContact O-C 3.57Å; A48-C51 PolarHBondContact O-N 2.85Å; N49-C51 VanDerWaalsContact C-N 3.25Å; N49-C51 PolarHBondContact O-N 3.24Å; C51-L53 HydrophobicContact CB-CD1 3.7Å; C51-L53 HydrophobicContact CB-CG 3.73Å; C51-T72 HydrophobicContact CB-CG2 4.29Å; C51-K75 HydrophobicContact CB-CB 4.48Å
52	Q	97.1	Very high	98.1	Very high	154 Å²	154	45.3 Å²	45.3	72%	0.72	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	50	-170.5	-58.9	167.9	-28.3	0	0	112.4	A48 N49	A48-Q52 WeakPolarHBondContact O-CA 3.43Å; A48-Q52 PolarHBondContact O-N 2.92Å; N49-Q52 PolarHBondContact O-N 2.67Å
53	L	97.6	Very high	98	Very high	40 Å²	40	49.3 Å²	49.3	21%	0.209	24%	0.241	C	C	.	.			trans	-120.1	165.6	179.5	-59.6	177.7	0	0	0	110.5	A48 C51 Y57 L61 T72	A48-L53 PolarHBondContact O-N 2.9Å; C51-L53 HydrophobicContact CB-CD1 3.7Å; C51-L53 HydrophobicContact CB-CG 3.73Å; L53-Y57 HydrophobicContact CB-CD1 4.17Å; L53-Y57 HydrophobicContact CD1-CD1 3.97Å; L53-Y57 HydrophobicContact CD1-CE1 4.09Å; L53-Y57 HydrophobicContact CD2-CD1 3.88Å; L53-Y57 HydrophobicContact CD2-CE1 3.83Å; L53-Y57 HydrophobicContact CG-CD1 4.21Å; L53-Y57 HydrophobicContact CG-CE1 4.47Å; L53-L61 HydrophobicContact CD1-CD1 3.77Å; L53-T72 HydrophobicContact CD1-CG2 3.82Å; L53-T72 HydrophobicContact CD2-CG2 4.31Å; L53-T72 HydrophobicContact CG-CG2 4.38Å
54	S	97.7	Very high	97.9	Very high	24 Å²	24	47.4 Å²	47.4	17%	0.168	23%	0.227	C	C	.	.			trans	-73.2	150.1	163.1	85.7	0	0	0	0	110.5	V56 Y57 C58 I143	S54-V56 PolarHBondContact O-N 3.13Å; S54-Y57 PolarHBondContact O-N 3.17Å; S54-Y57 VanDerWaalsContact OG-CB 3.28Å; S54-Y57 WeakPolarHBondContact OG-CB 3.42Å; S54-Y57 PolarHBondContact OG-N 3.41Å; S54-C58 WeakPolarHBondContact O-CB 3.45Å; S54-C58 PolarHBondContact O-N 3.32Å; S54-I143 WeakPolarHBondContact CB-O 3.28Å; S54-I143 PolarHBondContact OG-O 3.4Å
55	N	98	Very high	97.7	Very high	23 Å²	23	48.2 Å²	48.2	12%	0.123	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-39.1	-176.4	59.6	6.2	0	0	0	113.3	D45 A48 C58 A59 M145	D45-N55 WeakPolarHBondContact OD1-CB 3.44Å; D45-N55 PolarHBondContact OD1-ND2 2.9Å; A48-N55 HydrophobicContact CB-CB 4.26Å; N55-C58 WeakPolarHBondContact O-CB 3.33Å; N55-C58 PolarHBondContact O-N 3.02Å; N55-A59 PolarHBondContact O-N 3.26Å; N55-M145 PolarHBondContact ND2-O 3.37Å; N55-M145 PolarHBondContact OD1-N 3.31Å; N55-M145 VanDerWaalsContact OD1-N 3.1Å
56	V	98.1	Very high	97.6	Very high	34 Å²	34	45.1 Å²	45.1	21%	0.206	22%	0.217	C	C	.	.	H	α-helix	trans	-69.2	-39.1	175.9	179.1	0	0	0	0	111.5	S54 C58 A59 Q60 I143 M145	S54-V56 PolarHBondContact O-N 3.13Å; V56-C58 VanDerWaalsContact C-N 3.33Å; V56-C58 PolarHBondContact O-N 3.46Å; V56-A59 WeakPolarHBondContact O-CB 3.39Å; V56-A59 PolarHBondContact O-N 3.27Å; V56-A59 VanDerWaalsContact O-N 3.17Å; V56-Q60 WeakPolarHBondContact O-CG 3.47Å; V56-Q60 PolarHBondContact O-N 3.3Å; V56-I143 HydrophobicContact CB-CB 3.87Å; V56-I143 HydrophobicContact CB-CG2 3.96Å; V56-I143 HydrophobicContact CG1-CB 3.98Å; V56-I143 HydrophobicContact CG1-CD1 4.15Å; V56-I143 HydrophobicContact CG1-CG2 4.08Å; V56-I143 HydrophobicContact CG2-CB 4.14Å; V56-I143 HydrophobicContact CG2-CG2 3.66Å; V56-M145 HydrophobicContact CG2-CB 4.22Å
57	Y	97.8	Very high	97.4	Very high	74 Å²	74	44.7 Å²	44.7	29%	0.29	21%	0.212	S	C	.	.	H	α-helix	trans	-64.8	-39.6	174	179.3	-105.8	0	0	0	111.3	L53 S54 A59 Q60 L61 A66 Q67	L53-Y57 HydrophobicContact CB-CD1 4.17Å; L53-Y57 HydrophobicContact CD1-CD1 3.97Å; L53-Y57 HydrophobicContact CD1-CE1 4.09Å; L53-Y57 HydrophobicContact CD2-CD1 3.88Å; L53-Y57 HydrophobicContact CD2-CE1 3.83Å; L53-Y57 HydrophobicContact CG-CD1 4.21Å; L53-Y57 HydrophobicContact CG-CE1 4.47Å; S54-Y57 PolarHBondContact O-N 3.17Å; S54-Y57 VanDerWaalsContact OG-CB 3.28Å; S54-Y57 WeakPolarHBondContact OG-CB 3.42Å; S54-Y57 PolarHBondContact OG-N 3.41Å; Y57-A59 VanDerWaalsContact C-N 3.31Å; Y57-A59 PolarHBondContact O-N 2.97Å; Y57-Q60 WeakPolarHBondContact O-CB 3.2Å; Y57-Q60 PolarHBondContact O-N 2.98Å; Y57-L61 HydrophobicContact CD1-CD1 4.38Å; Y57-L61 HydrophobicContact CE1-CD1 4.01Å; Y57-L61 HydrophobicContact CE1-CD2 4.42Å; Y57-L61 HydrophobicContact CE1-CG 4.3Å; Y57-L61 WeakPolarHBondContact O-CG 3.48Å; Y57-L61 PolarHBondContact O-N 2.86Å; Y57-L61 VanDerWaalsContact O-N 3.13Å; Y57-A66 HydrophobicContact CD2-CB 4.28Å; Y57-A66 HydrophobicContact CE2-CB 3.65Å; Y57-Q67 PolarHBondContact OH-O 2.93Å
58	C	98.4	Very high	97.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.1	-45.3	171.1	-175.2	0	0	0	0	111.3	I47 A48 S54 N55 V56 Q60 L61 F62	I47-C58 VanDerWaalsContact CG2-SG 3.54Å; A48-C58 HydrophobicContact CB-CB 3.74Å; S54-C58 WeakPolarHBondContact O-CB 3.45Å; S54-C58 PolarHBondContact O-N 3.32Å; N55-C58 WeakPolarHBondContact O-CB 3.33Å; N55-C58 PolarHBondContact O-N 3.02Å; V56-C58 VanDerWaalsContact C-N 3.33Å; V56-C58 PolarHBondContact O-N 3.46Å; C58-Q60 PolarHBondContact O-N 3.22Å; C58-L61 WeakPolarHBondContact O-CB 3.24Å; C58-L61 PolarHBondContact O-N 3.06Å; C58-F62 WeakPolarHBondContact O-CD2 3.12Å; C58-F62 PolarHBondContact O-N 2.65Å
59	A	98.3	Very high	97.2	Very high	18 Å²	18	47 Å²	47	15%	0.149	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-41.9	175.6	0	0	0	0	0	112.3	F44 N55 V56 Y57 L61 F62 Y63	F44-A59 HydrophobicContact CD1-CB 4.09Å; F44-A59 HydrophobicContact CD2-CB 4.18Å; F44-A59 HydrophobicContact CE1-CB 4.12Å; F44-A59 HydrophobicContact CE2-CB 4.19Å; F44-A59 HydrophobicContact CG-CB 4.13Å; F44-A59 HydrophobicContact CZ-CB 4.16Å; N55-A59 PolarHBondContact O-N 3.26Å; V56-A59 WeakPolarHBondContact O-CB 3.39Å; V56-A59 PolarHBondContact O-N 3.27Å; V56-A59 VanDerWaalsContact O-N 3.17Å; Y57-A59 VanDerWaalsContact C-N 3.31Å; Y57-A59 PolarHBondContact O-N 2.97Å; A59-L61 PolarHBondContact O-N 2.86Å; A59-F62 PolarHBondContact O-N 3.01Å; A59-Y63 VanDerWaalsContact O-CD2 3.27Å; A59-Y63 WeakPolarHBondContact O-CD2 3.41Å; A59-Y63 PolarHBondContact O-N 3.41Å
60	Q	96.9	Very high	96.9	Very high	63 Å²	63	43.3 Å²	43.3	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-56.4	-37	176.3	-75.1	-176	-33.9	0	0	112.9	V56 Y57 C58 Y63 N64 Q65 A66	V56-Q60 WeakPolarHBondContact O-CG 3.47Å; V56-Q60 PolarHBondContact O-N 3.3Å; Y57-Q60 WeakPolarHBondContact O-CB 3.2Å; Y57-Q60 PolarHBondContact O-N 2.98Å; C58-Q60 PolarHBondContact O-N 3.22Å; Q60-Y63 CarbonylContact O-C 3.54Å; Q60-Y63 PolarHBondContact O-N 3.31Å; Q60-N64 PolarHBondContact O-N 3.11Å; Q60-Q65 HydrophobicContact CB-CB 4.09Å; Q60-Q65 HydrophobicContact CG-CB 4.31Å; Q60-Q65 PolarHBondContact O-N 3.44Å; Q60-A66 HydrophobicContact CB-CB 4.13Å
61	L	97.7	Very high	96.6	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-45.6	174.6	-64.8	171.3	0	0	0	111.1	L53 Y57 C58 A59 Y63 N64 A66 L68 M91	L53-L61 HydrophobicContact CD1-CD1 3.77Å; Y57-L61 HydrophobicContact CD1-CD1 4.38Å; Y57-L61 HydrophobicContact CE1-CD1 4.01Å; Y57-L61 HydrophobicContact CE1-CD2 4.42Å; Y57-L61 HydrophobicContact CE1-CG 4.3Å; Y57-L61 WeakPolarHBondContact O-CG 3.48Å; Y57-L61 PolarHBondContact O-N 2.86Å; Y57-L61 VanDerWaalsContact O-N 3.13Å; C58-L61 WeakPolarHBondContact O-CB 3.24Å; C58-L61 PolarHBondContact O-N 3.06Å; A59-L61 PolarHBondContact O-N 2.86Å; L61-Y63 VanDerWaalsContact C-N 3.3Å; L61-Y63 PolarHBondContact O-N 3.3Å; L61-N64 PolarHBondContact O-N 2.72Å; L61-N64 VanDerWaalsContact O-N 3.13Å; L61-A66 HydrophobicContact CD2-CB 4.06Å; L61-L68 HydrophobicContact CD1-CD1 3.98Å; L61-L68 HydrophobicContact CD2-CB 4.1Å; L61-L68 HydrophobicContact CD2-CD1 4.37Å; L61-M91 HydrophobicContact CB-CE 3.9Å
62	F	98.2	Very high	96.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-73.2	-18.1	178.4	-77	-84.6	0	0	0	114.4	I33 L34 K37 F44 I47 C58 A59 N64 L76 V80 L83	I33-F62 HydrophobicContact CB-CD1 4.32Å; I33-F62 VanDerWaalsContact CD1-O 3.25Å; I33-F62 WeakPolarHBondContact CD1-O 3.37Å; I33-F62 HydrophobicContact CG1-CD1 4.34Å; I33-F62 WeakPolarHBondContact CG1-O 3.27Å; L34-F62 HydrophobicContact CD2-CB 3.84Å; K37-F62 HydrophobicContact CB-CD1 3.81Å; K37-F62 HydrophobicContact CB-CE1 3.57Å; K37-F62 HydrophobicContact CB-CZ 4.16Å; K37-F62 HydrophobicContact CG-CD1 4.25Å; K37-F62 HydrophobicContact CG-CE1 4.06Å; K37-F62 HydrophobicContact CG-CZ 4.2Å; F44-F62 HydrophobicContact CD1-CD2 4.22Å; F44-F62 HydrophobicContact CE1-CB 3.86Å; F44-F62 AromaticContact CE1-CD2 3.66Å; F44-F62 HydrophobicContact CE1-CD2 3.66Å; F44-F62 HydrophobicContact CE1-CE2 4.45Å; F44-F62 AromaticContact CE1-CG 3.9Å; F44-F62 HydrophobicContact CE1-CG 3.9Å; F44-F62 HydrophobicContact CZ-CB 4.29Å; I47-F62 HydrophobicContact CD1-CE2 4.11Å; I47-F62 HydrophobicContact CD1-CZ 4.13Å; I47-F62 HydrophobicContact CG2-CE2 4.16Å; C58-F62 WeakPolarHBondContact O-CD2 3.12Å; C58-F62 PolarHBondContact O-N 2.65Å; A59-F62 PolarHBondContact O-N 3.01Å; F62-N64 VanDerWaalsContact C-N 3.35Å; F62-L76 HydrophobicContact CE2-CD1 3.95Å; F62-L76 HydrophobicContact CZ-CD1 3.86Å; F62-V80 HydrophobicContact CZ-CG2 4.17Å; F62-L83 HydrophobicContact CE1-CD1 4.19Å; F62-L83 HydrophobicContact CE1-CD2 4.36Å; F62-L83 HydrophobicContact CZ-CD1 4.27Å
63	Y	96.7	Very high	96.6	Very high	106 Å²	106	34.8 Å²	34.8	42%	0.416	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	6.9	169.9	-76.5	-72.2	0	0	0	113.4	V30 L34 A59 Q60 L61 Q65	V30-Y63 HydrophobicContact CG1-CD1 3.96Å; V30-Y63 HydrophobicContact CG1-CE1 4.5Å; V30-Y63 WeakPolarHBondContact CG2-O 3.32Å; L34-Y63 HydrophobicContact CD1-CD1 4.38Å; L34-Y63 HydrophobicContact CD1-CE1 3.91Å; A59-Y63 VanDerWaalsContact O-CD2 3.27Å; A59-Y63 WeakPolarHBondContact O-CD2 3.41Å; A59-Y63 PolarHBondContact O-N 3.41Å; Q60-Y63 CarbonylContact O-C 3.54Å; Q60-Y63 PolarHBondContact O-N 3.31Å; L61-Y63 VanDerWaalsContact C-N 3.3Å; L61-Y63 PolarHBondContact O-N 3.3Å; Y63-Q65 PolarHBondContact O-N 2.69Å
64	N	96.2	Very high	96.6	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.011	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	42.3	-177	-159.7	36.8	0	0	0	112.5	F29 V30 Q60 L61 F62 P95	F29-N64 HydrophobicContact CD1-CB 4.01Å; F29-N64 HydrophobicContact CE1-CB 4.14Å; V30-N64 HydrophobicContact CG2-CB 3.75Å; Q60-N64 PolarHBondContact O-N 3.11Å; L61-N64 PolarHBondContact O-N 2.72Å; L61-N64 VanDerWaalsContact O-N 3.13Å; F62-N64 VanDerWaalsContact C-N 3.35Å; N64-P95 WeakPolarHBondContact O-CB 3.39Å; N64-P95 WeakPolarHBondContact OD1-CB 3.25Å
65	Q	95	Very high	96.6	Very high	67 Å²	67	39.8 Å²	39.8	31%	0.313	22%	0.222	S	C	.	.			trans	-104.6	-16.5	179.4	-68.3	172.5	-16.5	0	0	112.3	Q60 Y63 R97	Q60-Q65 HydrophobicContact CB-CB 4.09Å; Q60-Q65 HydrophobicContact CG-CB 4.31Å; Q60-Q65 PolarHBondContact O-N 3.44Å; Y63-Q65 PolarHBondContact O-N 2.69Å; Q65-R97 WeakPolarHBondContact O-CD 3.46Å; Q65-R97 WeakPolarHBondContact O-CG 3.38Å; Q65-R97 PolarHBondContact O-NE 2.83Å; Q65-R97 VanDerWaalsContact O-NE 3.12Å
66	A	95.4	Very high	96.6	Very high	11 Å²	11	38.8 Å²	38.8	9%	0.091	22%	0.217	C	C	.	.	S	Bend	trans	-133.6	151	176.9	0	0	0	0	0	110.5	Y57 Q60 L61	Y57-A66 HydrophobicContact CD2-CB 4.28Å; Y57-A66 HydrophobicContact CE2-CB 3.65Å; Q60-A66 HydrophobicContact CB-CB 4.13Å; L61-A66 HydrophobicContact CD2-CB 4.06Å
67	Q	96	Very high	96.6	Very high	59 Å²	59	39.8 Å²	39.8	28%	0.276	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-78.9	132.3	173.7	-177.8	178	14.6	0	0	109.2	S15 Y57 Q92	S15-Q67 PolarHBondContact OG-NE2 2.99Å; Y57-Q67 PolarHBondContact OH-O 2.93Å; Q67-Q92 WeakPolarHBondContact CG-O 3.33Å; Q67-Q92 PolarHBondContact NE2-O 3.1Å
68	L	96.8	Very high	96.6	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-75.3	130.6	170.7	-179.1	62.6	0	0	0	109.4	L61 T72 A73 L76 L88 M91 Q92	L61-L68 HydrophobicContact CD1-CD1 3.98Å; L61-L68 HydrophobicContact CD2-CB 4.1Å; L61-L68 HydrophobicContact CD2-CD1 4.37Å; L68-T72 HydrophobicContact CD1-CG2 3.61Å; L68-A73 HydrophobicContact CD2-CB 3.79Å; L68-A73 HydrophobicContact CG-CB 4.08Å; L68-L76 HydrophobicContact CD1-CD2 4.04Å; L68-L76 HydrophobicContact CD2-CD2 3.81Å; L68-L88 HydrophobicContact CD2-CD2 3.85Å; L68-M91 HydrophobicContact CB-CB 3.88Å; L68-M91 VanDerWaalsContact CB-O 3.32Å; L68-M91 WeakPolarHBondContact CB-O 3.29Å; L68-M91 HydrophobicContact CD2-CB 3.8Å; L68-M91 HydrophobicContact CD2-CE 4.38Å; L68-M91 HydrophobicContact CD2-SD 4.37Å; L68-M91 PolarHBondContact N-O 3.43Å; L68-Q92 HydrophobicContact CB-CG 4.13Å; L68-Q92 HydrophobicContact CD2-CG 4.28Å; L68-Q92 HydrophobicContact CG-CG 4.19Å; L68-Q92 WeakPolarHBondContact O-CA 3.4Å; L68-Q92 WeakPolarHBondContact O-CG 3.24Å
69	S	95.3	Very high	96.6	Very high	48 Å²	48	43 Å²	43	34%	0.336	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-78.2	149.7	171.7	67.9	0	0	0	0	110.9	S71 T72 A73	S69-S71 VanDerWaalsContact C-N 3.26Å; S69-S71 PolarHBondContact O-N 3.02Å; S69-S71 PolarHBondContact OG-OG 3.14Å; S69-T72 PolarHBondContact O-N 3.34Å; S69-T72 VanDerWaalsContact OG-CB 3.3Å; S69-T72 WeakPolarHBondContact OG-CB 3.33Å; S69-T72 PolarHBondContact OG-N 3.5Å; S69-T72 PolarHBondContact OG-OG1 3.18Å; S69-A73 PolarHBondContact O-N 3.44Å
70	G	92.2	Very high	96.6	Very high	42 Å²	42	42.2 Å²	42.2	43%	0.433	23%	0.234	S	C	.	.	H	α-helix	trans	-60.1	-33.4	178	0	0	0	0	0	114.1	T72 A73	G70-T72 VanDerWaalsContact C-N 3.31Å; G70-T72 PolarHBondContact O-N 2.82Å; G70-A73 PolarHBondContact O-N 3.18Å
71	S	91.9	Very high	96.7	Very high	93 Å²	93	42.7 Å²	42.7	65%	0.65	24%	0.242	S	C	*	.	H	α-helix	trans	-66.4	-32.9	174.8	55.8	0	0	0	0	113.1	S69	S69-S71 VanDerWaalsContact C-N 3.26Å; S69-S71 PolarHBondContact O-N 3.02Å; S69-S71 PolarHBondContact OG-OG 3.14Å
72	T	96.7	Very high	96.7	Very high	14 Å²	14	46 Å²	46	9%	0.086	26%	0.258	C	S	.	.	H	α-helix	trans	-83.7	-27.7	178.1	-59.4	0	0	0	0	111.5	C51 L53 L68 S69 G70 T74 K75 L76	C51-T72 HydrophobicContact CB-CG2 4.29Å; L53-T72 HydrophobicContact CD1-CG2 3.82Å; L53-T72 HydrophobicContact CD2-CG2 4.31Å; L53-T72 HydrophobicContact CG-CG2 4.38Å; L68-T72 HydrophobicContact CD1-CG2 3.61Å; S69-T72 PolarHBondContact O-N 3.34Å; S69-T72 VanDerWaalsContact OG-CB 3.3Å; S69-T72 WeakPolarHBondContact OG-CB 3.33Å; S69-T72 PolarHBondContact OG-N 3.5Å; S69-T72 PolarHBondContact OG-OG1 3.18Å; G70-T72 VanDerWaalsContact C-N 3.31Å; G70-T72 PolarHBondContact O-N 2.82Å; T72-T74 VanDerWaalsContact C-N 3.32Å; T72-T74 PolarHBondContact O-N 2.86Å; T72-K75 WeakPolarHBondContact O-CB 3.27Å; T72-K75 PolarHBondContact O-N 2.93Å; T72-K75 VanDerWaalsContact O-N 3.07Å; T72-L76 WeakPolarHBondContact O-CB 3.49Å; T72-L76 PolarHBondContact O-N 3.44Å
73	A	97.6	Very high	96.7	Very high	8 Å²	8	46 Å²	46	7%	0.066	26%	0.258	C	S	.	.	H	α-helix	trans	-56.2	-43.1	-179.9	0	0	0	0	0	112.9	L68 S69 G70 K75 L76 K77 Q92	L68-A73 HydrophobicContact CD2-CB 3.79Å; L68-A73 HydrophobicContact CG-CB 4.08Å; S69-A73 PolarHBondContact O-N 3.44Å; G70-A73 PolarHBondContact O-N 3.18Å; A73-K75 PolarHBondContact O-N 3.12Å; A73-L76 PolarHBondContact O-N 3.23Å; A73-K77 PolarHBondContact O-N 2.87Å; A73-Q92 HydrophobicContact CB-CG 4.27Å
74	T	96.8	Very high	96.8	Very high	94 Å²	94	46.5 Å²	46.5	58%	0.577	26%	0.264	S	S	*	.	H	α-helix	trans	-62.5	-43	175.6	-51.2	0	0	0	0	112.1	T72 L76 K77 L78	T72-T74 VanDerWaalsContact C-N 3.32Å; T72-T74 PolarHBondContact O-N 2.86Å; T74-L76 VanDerWaalsContact C-N 3.34Å; T74-K77 PolarHBondContact O-N 3.49Å; T74-L78 WeakPolarHBondContact O-CG 3.19Å; T74-L78 PolarHBondContact O-N 3.15Å; T74-L78 VanDerWaalsContact O-N 3.15Å
75	K	98.1	Very high	96.9	Very high	75 Å²	75	51.9 Å²	51.9	33%	0.326	29%	0.289	S	S	.	.	H	α-helix	trans	-64.1	-41.6	177	-61.3	-176.7	-174.4	176.1	0	111.1	C51 T72 A73 L78 A79	C51-K75 HydrophobicContact CB-CB 4.48Å; T72-K75 WeakPolarHBondContact O-CB 3.27Å; T72-K75 PolarHBondContact O-N 2.93Å; T72-K75 VanDerWaalsContact O-N 3.07Å; A73-K75 PolarHBondContact O-N 3.12Å; K75-L78 PolarHBondContact O-N 2.96Å; K75-A79 WeakPolarHBondContact O-CB 3.36Å; K75-A79 PolarHBondContact O-N 2.91Å
76	L	98.5	Very high	97	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-41.6	179.3	-174	61.1	0	0	0	111.7	I47 F62 L68 T72 A73 T74 L78 A79 V80 L83 L88 M91	I47-L76 HydrophobicContact CG2-CD1 3.58Å; F62-L76 HydrophobicContact CE2-CD1 3.95Å; F62-L76 HydrophobicContact CZ-CD1 3.86Å; L68-L76 HydrophobicContact CD1-CD2 4.04Å; L68-L76 HydrophobicContact CD2-CD2 3.81Å; T72-L76 WeakPolarHBondContact O-CB 3.49Å; T72-L76 PolarHBondContact O-N 3.44Å; A73-L76 PolarHBondContact O-N 3.23Å; T74-L76 VanDerWaalsContact C-N 3.34Å; L76-L78 VanDerWaalsContact C-N 3.34Å; L76-L78 PolarHBondContact O-N 2.83Å; L76-A79 PolarHBondContact O-N 3.47Å; L76-V80 HydrophobicContact CD1-CG2 4.34Å; L76-V80 PolarHBondContact O-N 3.29Å; L76-L83 HydrophobicContact CD1-CD1 4.42Å; L76-L83 HydrophobicContact CD2-CD1 3.99Å; L76-L83 HydrophobicContact CG-CD1 3.84Å; L76-L88 HydrophobicContact CB-CD2 4.35Å; L76-L88 HydrophobicContact CD2-CD2 3.92Å; L76-L88 HydrophobicContact CG-CD2 4.2Å; L76-M91 HydrophobicContact CD2-CE 3.67Å; L76-M91 HydrophobicContact CD2-SD 4.14Å
77	K	98.4	Very high	97.1	Very high	56 Å²	56	51.7 Å²	51.7	24%	0.243	29%	0.294	C	S	.	.	H	α-helix	trans	-59.8	-43.5	174.6	-176.2	52.4	-179.8	-178.7	0	112.2	A73 T74 A79 V80 P81 L83 E85 L88	A73-K77 PolarHBondContact O-N 2.87Å; T74-K77 PolarHBondContact O-N 3.49Å; K77-A79 VanDerWaalsContact C-N 3.34Å; K77-V80 CarbonylContact O-C 3.5Å; K77-V80 VanDerWaalsContact O-C 3.3Å; K77-P81 PolarHBondContact NZ-O 3.34Å; K77-P81 WeakPolarHBondContact O-CA 3.34Å; K77-L83 PolarHBondContact NZ-O 2.88Å; K77-E85 WeakPolarHBondContact CE-OE1 3.48Å; K77-E85 IonicContact NZ-OE1 3.91Å; K77-L88 HydrophobicContact CB-CD1 3.57Å; K77-L88 HydrophobicContact CD-CD1 3.69Å; K77-L88 HydrophobicContact CG-CD1 3.92Å
78	L	98	Very high	97.1	Very high	138 Å²	138	49.1 Å²	49.1	72%	0.723	28%	0.282	S	S	*	.	H	α-helix	trans	-65.8	-37.9	176.8	-69.6	171.6	0	0	0	111.9	T74 K75 L76	T74-L78 WeakPolarHBondContact O-CG 3.19Å; T74-L78 PolarHBondContact O-N 3.15Å; T74-L78 VanDerWaalsContact O-N 3.15Å; K75-L78 PolarHBondContact O-N 2.96Å; L76-L78 VanDerWaalsContact C-N 3.34Å; L76-L78 PolarHBondContact O-N 2.83Å
79	A	98.1	Very high	97.1	Very high	4 Å²	4	54.3 Å²	54.3	3%	0.033	31%	0.309	C	S	.	.	H	α-helix	trans	-71.7	-39	177.8	0	0	0	0	0	112.7	L42 I47 R50 K75 L76 K77	L42-A79 WeakPolarHBondContact CD1-O 3.15Å; I47-A79 HydrophobicContact CG2-CB 4.43Å; R50-A79 HydrophobicContact CB-CB 4.04Å; K75-A79 WeakPolarHBondContact O-CB 3.36Å; K75-A79 PolarHBondContact O-N 2.91Å; L76-A79 PolarHBondContact O-N 3.47Å; K77-A79 VanDerWaalsContact C-N 3.34Å
80	V	98.6	Very high	97.2	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.298	C	S	.	.			trans	-129.1	76	-174.8	-171.6	0	0	0	0	109.1	A36 I47 F62 L76 K77 Q82 L83	A36-V80 HydrophobicContact CB-CG1 4.48Å; I47-V80 HydrophobicContact CD1-CG2 3.71Å; I47-V80 HydrophobicContact CG1-CG2 3.91Å; I47-V80 HydrophobicContact CG2-CG2 4.31Å; F62-V80 HydrophobicContact CZ-CG2 4.17Å; L76-V80 HydrophobicContact CD1-CG2 4.34Å; L76-V80 PolarHBondContact O-N 3.29Å; K77-V80 CarbonylContact O-C 3.5Å; K77-V80 VanDerWaalsContact O-C 3.3Å; V80-Q82 PolarHBondContact O-N 3.3Å; V80-L83 HydrophobicContact CB-CD1 3.98Å; V80-L83 HydrophobicContact CB-CG 4.26Å; V80-L83 HydrophobicContact CG1-CD1 4.06Å; V80-L83 HydrophobicContact CG1-CG 3.85Å; V80-L83 PolarHBondContact O-N 3.5Å; V80-L83 VanDerWaalsContact O-N 3.1Å
81	P	98.3	Very high	97.5	Very high	74 Å²	74	51.1 Å²	51.1	48%	0.481	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.7	-176.2	23.3	-33.8	0	0	0	113.8	K77 L83	K77-P81 PolarHBondContact NZ-O 3.34Å; K77-P81 WeakPolarHBondContact O-CA 3.34Å; P81-L83 VanDerWaalsContact C-N 3.28Å; P81-L83 PolarHBondContact O-N 3.19Å
82	Q	98.6	Very high	97.7	Very high	72 Å²	72	48.8 Å²	48.8	34%	0.336	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-18.5	177.3	-62.5	80.7	3.7	0	0	113.9	A36 A39 S40 V80 Q84	A36-Q82 HydrophobicContact CB-CB 3.94Å; A39-Q82 HydrophobicContact CB-CB 4.42Å; A39-Q82 HydrophobicContact CB-CG 3.89Å; A39-Q82 PolarHBondContact O-NE2 3.13Å; S40-Q82 VanDerWaalsContact CB-OE1 3.3Å; V80-Q82 PolarHBondContact O-N 3.3Å; Q82-Q84 PolarHBondContact O-N 3.49Å
83	L	98.5	Very high	97.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-66.6	130.7	171.6	-74.2	168.9	0	0	0	109.7	I33 A36 F62 L76 K77 V80 P81 D87 L88	I33-L83 HydrophobicContact CB-CD2 3.82Å; I33-L83 HydrophobicContact CG2-CD2 3.81Å; A36-L83 HydrophobicContact CB-CD2 3.73Å; A36-L83 HydrophobicContact CB-CG 4.03Å; F62-L83 HydrophobicContact CE1-CD1 4.19Å; F62-L83 HydrophobicContact CE1-CD2 4.36Å; F62-L83 HydrophobicContact CZ-CD1 4.27Å; L76-L83 HydrophobicContact CD1-CD1 4.42Å; L76-L83 HydrophobicContact CD2-CD1 3.99Å; L76-L83 HydrophobicContact CG-CD1 3.84Å; K77-L83 PolarHBondContact NZ-O 2.88Å; V80-L83 HydrophobicContact CB-CD1 3.98Å; V80-L83 HydrophobicContact CB-CG 4.26Å; V80-L83 HydrophobicContact CG1-CD1 4.06Å; V80-L83 HydrophobicContact CG1-CG 3.85Å; V80-L83 PolarHBondContact O-N 3.5Å; V80-L83 VanDerWaalsContact O-N 3.1Å; P81-L83 VanDerWaalsContact C-N 3.28Å; P81-L83 PolarHBondContact O-N 3.19Å; L83-D87 HydrophobicContact CD2-CB 4.28Å; L83-L88 HydrophobicContact CB-CG 4.42Å; L83-L88 HydrophobicContact CD1-CD2 4.05Å
84	Q	98.1	Very high	97.6	Very high	116 Å²	116	51.9 Å²	51.9	54%	0.542	27%	0.271	S	S	.	.			trans	-73.4	155.7	175.5	-55.3	-61.6	-38.1	0	0	110.4	Q82 S86 D87 L88	Q82-Q84 PolarHBondContact O-N 3.49Å; Q84-S86 PolarHBondContact O-N 3.21Å; Q84-D87 HydrophobicContact CB-CB 4.49Å; Q84-D87 WeakPolarHBondContact CB-OD2 3.15Å; Q84-D87 PolarHBondContact N-OD2 3.33Å; Q84-D87 WeakPolarHBondContact O-CA 3.46Å; Q84-D87 VanDerWaalsContact O-CB 3.24Å; Q84-D87 WeakPolarHBondContact O-CB 3.21Å; Q84-D87 PolarHBondContact O-N 3.17Å; Q84-L88 PolarHBondContact O-N 3.28Å
85	E	97.5	Very high	97.5	Very high	114 Å²	114	47.7 Å²	47.7	53%	0.533	25%	0.246	S	C	.	.	H	α-helix	trans	-58.7	-38.7	175.2	-66.9	-55.2	141.6	0	0	111.6	K77 D87 L88 L89	K77-E85 WeakPolarHBondContact CE-OE1 3.48Å; K77-E85 IonicContact NZ-OE1 3.91Å; E85-D87 PolarHBondContact O-N 3.35Å; E85-L88 PolarHBondContact O-N 2.89Å; E85-L89 WeakPolarHBondContact O-CG 3.41Å; E85-L89 PolarHBondContact O-N 3.41Å
86	S	96.9	Very high	97.1	Very high	72 Å²	72	46.9 Å²	46.9	50%	0.503	24%	0.244	S	C	.	.	H	α-helix	trans	-58.4	-30.1	173.3	55.3	0	0	0	0	113	Q84 E90	Q84-S86 PolarHBondContact O-N 3.21Å; S86-E90 WeakPolarHBondContact O-CB 3.31Å; S86-E90 PolarHBondContact O-N 3.12Å
87	D	97.7	Very high	96.6	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-74.5	-46.2	-177.8	-55.2	-18.5	0	0	0	109.8	R32 I33 L83 Q84 E85 L89 E90 M91	R32-D87 IonicContact CZ-OD1 2.69Å; R32-D87 IonicContact NH1-OD1 3.91Å; R32-D87 PolarHBondContact NH1-OD1 3.46Å; R32-D87 IonicContact NH1-OD2 3.62Å; R32-D87 PolarHBondContact NH1-OD2 3.4Å; R32-D87 IonicContact NH2-OD1 2.72Å; R32-D87 PolarHBondContact NH2-OD1 2.84Å; I33-D87 HydrophobicContact CG2-CB 4.06Å; L83-D87 HydrophobicContact CD2-CB 4.28Å; Q84-D87 HydrophobicContact CB-CB 4.49Å; Q84-D87 WeakPolarHBondContact CB-OD2 3.15Å; Q84-D87 PolarHBondContact N-OD2 3.33Å; Q84-D87 WeakPolarHBondContact O-CA 3.46Å; Q84-D87 VanDerWaalsContact O-CB 3.24Å; Q84-D87 WeakPolarHBondContact O-CB 3.21Å; Q84-D87 PolarHBondContact O-N 3.17Å; E85-D87 PolarHBondContact O-N 3.35Å; D87-L89 VanDerWaalsContact C-N 3.29Å; D87-L89 PolarHBondContact O-N 3.47Å; D87-E90 PolarHBondContact O-N 2.9Å; D87-M91 WeakPolarHBondContact O-CB 3.34Å; D87-M91 WeakPolarHBondContact O-CG 3.41Å; D87-M91 PolarHBondContact O-N 2.95Å
88	L	97.6	Very high	95.7	Very high	5 Å²	5	56 Å²	56	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-36.7	176.5	-67.4	169	0	0	0	111.7	L68 L76 K77 L83 Q84 E85 M91 Q92	L68-L88 HydrophobicContact CD2-CD2 3.85Å; L76-L88 HydrophobicContact CB-CD2 4.35Å; L76-L88 HydrophobicContact CD2-CD2 3.92Å; L76-L88 HydrophobicContact CG-CD2 4.2Å; K77-L88 HydrophobicContact CB-CD1 3.57Å; K77-L88 HydrophobicContact CD-CD1 3.69Å; K77-L88 HydrophobicContact CG-CD1 3.92Å; L83-L88 HydrophobicContact CB-CG 4.42Å; L83-L88 HydrophobicContact CD1-CD2 4.05Å; Q84-L88 PolarHBondContact O-N 3.28Å; E85-L88 PolarHBondContact O-N 2.89Å; L88-M91 HydrophobicContact CD2-SD 4.4Å; L88-Q92 VanDerWaalsContact O-CG 3.25Å; L88-Q92 WeakPolarHBondContact O-CG 3.45Å; L88-Q92 PolarHBondContact O-N 3.2Å; L88-Q92 PolarHBondContact O-NE2 2.74Å
89	L	96.3	Very high	94.6	Very high	110 Å²	110	53.1 Å²	53.1	58%	0.576	28%	0.275	S	S	*	.	H	α-helix	trans	-63.8	-42.7	172.9	-70.5	174.5	0	0	0	111.5	E85 D87 Q92	E85-L89 WeakPolarHBondContact O-CG 3.41Å; E85-L89 PolarHBondContact O-N 3.41Å; D87-L89 VanDerWaalsContact C-N 3.29Å; D87-L89 PolarHBondContact O-N 3.47Å; L89-Q92 PolarHBondContact O-N 3.39Å
90	E	96.9	Very high	93.7	Very high	22 Å²	22	54.4 Å²	54.4	10%	0.103	29%	0.285	C	S	.	.	H	α-helix	trans	-68.5	-41.3	177.1	-170.8	58.3	-147.3	0	0	112.3	S18 I20 F29 S86 D87 Q92 K93	S18-E90 VanDerWaalsContact CB-OE1 3.31Å; S18-E90 WeakPolarHBondContact CB-OE1 3.48Å; S18-E90 PolarHBondContact OG-OE1 3.28Å; I20-E90 HydrophobicContact CD1-CG 3.98Å; F29-E90 HydrophobicContact CD2-CG 4.25Å; F29-E90 HydrophobicContact CE1-CG 4.19Å; F29-E90 HydrophobicContact CE2-CB 3.75Å; F29-E90 HydrophobicContact CE2-CG 3.7Å; F29-E90 HydrophobicContact CZ-CB 3.73Å; F29-E90 HydrophobicContact CZ-CG 3.66Å; S86-E90 WeakPolarHBondContact O-CB 3.31Å; S86-E90 PolarHBondContact O-N 3.12Å; D87-E90 PolarHBondContact O-N 2.9Å; E90-Q92 PolarHBondContact O-N 3.13Å; E90-K93 WeakPolarHBondContact O-CB 3.35Å; E90-K93 PolarHBondContact O-N 2.75Å; E90-K93 WeakPolarHBondContact OE2-CD 3.44Å; E90-K93 WeakPolarHBondContact OE2-CE 3.37Å; E90-K93 IonicContact OE2-NZ 3.04Å; E90-K93 PolarHBondContact OE2-NZ 3.14Å
91	M	97.6	Very high	93	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-25.7	175.3	-69.4	176	78.3	0	0	112.5	F29 L61 L68 L76 D87 L88 K93	F29-M91 HydrophobicContact CE1-CG 4.21Å; F29-M91 HydrophobicContact CZ-CG 3.78Å; L61-M91 HydrophobicContact CB-CE 3.9Å; L68-M91 HydrophobicContact CB-CB 3.88Å; L68-M91 VanDerWaalsContact CB-O 3.32Å; L68-M91 WeakPolarHBondContact CB-O 3.29Å; L68-M91 HydrophobicContact CD2-CB 3.8Å; L68-M91 HydrophobicContact CD2-CE 4.38Å; L68-M91 HydrophobicContact CD2-SD 4.37Å; L68-M91 PolarHBondContact N-O 3.43Å; L76-M91 HydrophobicContact CD2-CE 3.67Å; L76-M91 HydrophobicContact CD2-SD 4.14Å; D87-M91 WeakPolarHBondContact O-CB 3.34Å; D87-M91 WeakPolarHBondContact O-CG 3.41Å; D87-M91 PolarHBondContact O-N 2.95Å; L88-M91 HydrophobicContact CD2-SD 4.4Å; M91-K93 VanDerWaalsContact C-N 3.31Å
92	Q	97.1	Very high	92.5	Very high	44 Å²	44	64 Å²	64	21%	0.206	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-4.9	177	-75.7	172.7	92.2	0	0	113.8	Q67 L68 A73 L88 L89 E90	Q67-Q92 WeakPolarHBondContact CG-O 3.33Å; Q67-Q92 PolarHBondContact NE2-O 3.1Å; L68-Q92 HydrophobicContact CB-CG 4.13Å; L68-Q92 HydrophobicContact CD2-CG 4.28Å; L68-Q92 HydrophobicContact CG-CG 4.19Å; L68-Q92 WeakPolarHBondContact O-CA 3.4Å; L68-Q92 WeakPolarHBondContact O-CG 3.24Å; A73-Q92 HydrophobicContact CB-CG 4.27Å; L88-Q92 VanDerWaalsContact O-CG 3.25Å; L88-Q92 WeakPolarHBondContact O-CG 3.45Å; L88-Q92 PolarHBondContact O-N 3.2Å; L88-Q92 PolarHBondContact O-NE2 2.74Å; L89-Q92 PolarHBondContact O-N 3.39Å; E90-Q92 PolarHBondContact O-N 3.13Å
93	K	96.2	Very high	92	Very high	43 Å²	43	64.5 Å²	64.5	19%	0.187	33%	0.334	C	S	.	.	S	Bend	trans	-85	158.7	172.8	-61.8	-178.3	-173	162.5	0	111.2	E16 E90 M91 P95	E16-K93 HydrophobicContact CB-CG 4.38Å; E16-K93 CarbonylContact O-C 3.57Å; E16-K93 WeakPolarHBondContact O-CA 3.32Å; E16-K93 WeakPolarHBondContact O-CB 3.25Å; E90-K93 WeakPolarHBondContact O-CB 3.35Å; E90-K93 PolarHBondContact O-N 2.75Å; E90-K93 WeakPolarHBondContact OE2-CD 3.44Å; E90-K93 WeakPolarHBondContact OE2-CE 3.37Å; E90-K93 IonicContact OE2-NZ 3.04Å; E90-K93 PolarHBondContact OE2-NZ 3.14Å; M91-K93 VanDerWaalsContact C-N 3.31Å; K93-P95 VanDerWaalsContact O-CD 3.24Å; K93-P95 WeakPolarHBondContact O-CD 3.45Å
94	V	95.2	Very high	91.5	Very high	43 Å²	43	67.7 Å²	67.7	26%	0.261	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-66.7	115.5	173.7	-176.7	0	0	0	0	108.5	S15 E16 V17 S18	S15-V94 VanDerWaalsContact OG-CG2 3.3Å; S15-V94 WeakPolarHBondContact OG-CG2 3.4Å; E16-V94 PolarHBondContact O-N 2.85Å; V17-V94 HydrophobicContact CG1-CB 4.35Å; S18-V94 VanDerWaalsContact CB-O 3.31Å; S18-V94 WeakPolarHBondContact CB-O 3.48Å; S18-V94 PolarHBondContact N-O 2.89Å
95	P	95.2	Very high	91.3	Very high	7 Å²	7	69.1 Å²	69.1	5%	0.045	36%	0.357	C	S	.	.			trans	-82.4	154.7	-170	32.9	-36.7	0	0	0	112.5	N64 K93 R97	N64-P95 WeakPolarHBondContact O-CB 3.39Å; N64-P95 WeakPolarHBondContact OD1-CB 3.25Å; K93-P95 VanDerWaalsContact O-CD 3.24Å; K93-P95 WeakPolarHBondContact O-CD 3.45Å; P95-R97 HydrophobicContact CG-CG 4.09Å; P95-R97 PolarHBondContact O-N 3.49Å; P95-R97 VanDerWaalsContact O-N 3.14Å; P95-R97 PolarHBondContact O-NH1 3.19Å
96	M	89.5	Confident	91.2	Very high	58 Å²	58	67.1 Å²	67.1	29%	0.286	35%	0.35	S	S	.	.			trans	-68.9	104.5	161.9	-170.7	-168.1	-145.8	0	0	109.5	L21 K26 L98	L21-M96 WeakPolarHBondContact O-CE 3.26Å; K26-M96 WeakPolarHBondContact CD-O 3.45Å; K26-M96 WeakPolarHBondContact CE-O 3.5Å; K26-M96 PolarHBondContact NZ-O 3.44Å; M96-L98 HydrophobicContact CE-CD1 3.95Å; M96-L98 PolarHBondContact O-N 2.99Å
97	R	88.4	Confident	91.2	Very high	127 Å²	127	67.9 Å²	67.9	48%	0.479	35%	0.353	S	S	.	.			trans	-81.9	-10.8	-172.9	-67.3	-177.1	-179.4	79.8	-8	115.1	K26 Q65 P95 P99	K26-R97 PolarHBondContact NZ-O 2.98Å; Q65-R97 WeakPolarHBondContact O-CD 3.46Å; Q65-R97 WeakPolarHBondContact O-CG 3.38Å; Q65-R97 PolarHBondContact O-NE 2.83Å; Q65-R97 VanDerWaalsContact O-NE 3.12Å; P95-R97 HydrophobicContact CG-CG 4.09Å; P95-R97 PolarHBondContact O-N 3.49Å; P95-R97 VanDerWaalsContact O-N 3.14Å; P95-R97 PolarHBondContact O-NH1 3.19Å; R97-P99 WeakPolarHBondContact O-CD 3.44Å
98	L	78.8	Confident	91.1	Very high	123 Å²	123	72.5 Å²	72.5	64%	0.644	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-53.3	122.3	-175.1	-64.9	-176.3	0	0	0	111.5	K26 M96	K26-L98 PolarHBondContact NZ-O 2.9Å; M96-L98 HydrophobicContact CE-CD1 3.95Å; M96-L98 PolarHBondContact O-N 2.99Å
99	P	75.1	Confident	91	Very high	77 Å²	77	75.6 Å²	75.6	50%	0.5	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-79.8	160.4	168.1	33.1	-32.7	0	0	0	110.3	R97	R97-P99 WeakPolarHBondContact O-CD 3.44Å
100	A	80.3	Confident	90.9	Very high	31 Å²	31	74.5 Å²	74.5	26%	0.256	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-72.9	131.1	168.1	0	0	0	0	0	109	E102 Q103	A100-E102 PolarHBondContact O-N 2.76Å; A100-Q103 HydrophobicContact CB-CG 4.13Å; A100-Q103 WeakPolarHBondContact O-CB 3.49Å; A100-Q103 PolarHBondContact O-N 2.88Å
101	T	83.9	Confident	90.9	Very high	115 Å²	115	80 Å²	80	71%	0.706	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-59.5	-30.9	-177.6	45.8	0	0	0	0	112.9	Q103 L104	T101-Q103 PolarHBondContact O-N 2.89Å; T101-L104 WeakPolarHBondContact O-CB 3.42Å; T101-L104 PolarHBondContact O-N 2.78Å
102	E	88	Confident	90.8	Very high	161 Å²	161	85 Å²	85	75%	0.752	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-61	-30.7	176.2	-63.8	174.2	179.1	0	0	112.8	A100 L104 Q105	A100-E102 PolarHBondContact O-N 2.76Å; E102-L104 PolarHBondContact O-N 3.1Å; E102-Q105 PolarHBondContact O-N 2.94Å
103	Q	87.4	Confident	90.7	Very high	82 Å²	82	86.3 Å²	86.3	38%	0.383	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-64.3	-22.5	178.9	-67.1	172.6	-11.2	0	0	112.4	A100 T101 Q105 D106 I109	A100-Q103 HydrophobicContact CB-CG 4.13Å; A100-Q103 WeakPolarHBondContact O-CB 3.49Å; A100-Q103 PolarHBondContact O-N 2.88Å; T101-Q103 PolarHBondContact O-N 2.89Å; Q103-Q105 PolarHBondContact O-N 3.18Å; Q103-D106 WeakPolarHBondContact O-CB 3.47Å; Q103-D106 PolarHBondContact O-N 2.93Å; Q103-D106 VanDerWaalsContact O-N 3.16Å; Q103-I109 HydrophobicContact CB-CD1 4.06Å; Q103-I109 VanDerWaalsContact O-CD1 3.31Å; Q103-I109 WeakPolarHBondContact O-CD1 3.4Å
104	L	88.4	Confident	90.7	Very high	66 Å²	66	86.9 Å²	86.9	35%	0.346	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-67.8	-18.2	176.8	-58.5	178.6	0	0	0	112.6	T101 E102 Q113	T101-L104 WeakPolarHBondContact O-CB 3.42Å; T101-L104 PolarHBondContact O-N 2.78Å; E102-L104 PolarHBondContact O-N 3.1Å; L104-Q113 PolarHBondContact O-OE1 2.82Å
105	Q	92.8	Very high	90.8	Very high	147 Å²	147	88.2 Å²	88.2	69%	0.687	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-90.9	-7.3	176.5	-55.6	-57.2	-44.3	0	0	112.9	E102 Q103	E102-Q105 PolarHBondContact O-N 2.94Å; Q103-Q105 PolarHBondContact O-N 3.18Å
106	D	95.6	Very high	90.8	Very high	71 Å²	71	92.4 Å²	92.4	38%	0.38	47%	0.471	S	S	.	.	S	Bend	trans	-61.3	128.9	174.2	176.6	-87.8	0	0	0	109.5	Q103 T108 I109 Y110	Q103-D106 WeakPolarHBondContact O-CB 3.47Å; Q103-D106 PolarHBondContact O-N 2.93Å; Q103-D106 VanDerWaalsContact O-N 3.16Å; D106-T108 VanDerWaalsContact C-N 3.28Å; D106-T108 PolarHBondContact O-N 3.02Å; D106-T108 WeakPolarHBondContact OD1-CA 3.14Å; D106-T108 WeakPolarHBondContact OD1-CB 3.25Å; D106-T108 PolarHBondContact OD1-N 2.9Å; D106-I109 HydrophobicContact CB-CB 4.23Å; D106-I109 HydrophobicContact CB-CD1 4.14Å; D106-I109 HydrophobicContact CB-CG1 4.26Å; D106-I109 PolarHBondContact O-N 2.76Å; D106-I109 VanDerWaalsContact O-N 3.08Å; D106-I109 PolarHBondContact OD1-N 3.27Å; D106-Y110 WeakPolarHBondContact O-CB 3.48Å; D106-Y110 PolarHBondContact O-N 3.26Å
107	P	97.2	Very high	91.1	Very high	88 Å²	88	96.2 Å²	96.2	57%	0.571	49%	0.492	S	S	*	.	H	α-helix	trans	-56	-38	-175.1	-29.3	35.9	0	0	0	114.1	R111	P107-R111 VanDerWaalsContact O-CG 3.31Å; P107-R111 WeakPolarHBondContact O-CG 3.33Å; P107-R111 PolarHBondContact O-N 2.91Å; P107-R111 VanDerWaalsContact O-N 3.11Å
108	T	95.9	Very high	91.6	Very high	101 Å²	101	96 Å²	96	62%	0.62	50%	0.499	S	S	*	.	H	α-helix	trans	-67.7	-41.3	179.3	-62.8	0	0	0	0	111.1	D106 F112	D106-T108 VanDerWaalsContact C-N 3.28Å; D106-T108 PolarHBondContact O-N 3.02Å; D106-T108 WeakPolarHBondContact OD1-CA 3.14Å; D106-T108 WeakPolarHBondContact OD1-CB 3.25Å; D106-T108 PolarHBondContact OD1-N 2.9Å; T108-F112 WeakPolarHBondContact O-CD2 3.35Å
109	I	95	Very high	92.5	Very high	70 Å²	70	96.4 Å²	96.4	36%	0.359	49%	0.494	S	S	.	.	H	α-helix	trans	-69.5	-45.4	177	-64.4	174.9	0	0	0	110.7	Q103 D106 R111 F112	Q103-I109 HydrophobicContact CB-CD1 4.06Å; Q103-I109 VanDerWaalsContact O-CD1 3.31Å; Q103-I109 WeakPolarHBondContact O-CD1 3.4Å; D106-I109 HydrophobicContact CB-CB 4.23Å; D106-I109 HydrophobicContact CB-CD1 4.14Å; D106-I109 HydrophobicContact CB-CG1 4.26Å; D106-I109 PolarHBondContact O-N 2.76Å; D106-I109 VanDerWaalsContact O-N 3.08Å; D106-I109 PolarHBondContact OD1-N 3.27Å; I109-R111 VanDerWaalsContact C-N 3.29Å; I109-R111 PolarHBondContact O-N 3.04Å; I109-F112 WeakPolarHBondContact O-CB 3.48Å; I109-F112 PolarHBondContact O-N 3.31Å
110	Y	95.2	Very high	93.5	Very high	87 Å²	87	94 Å²	94	34%	0.341	48%	0.483	S	S	.	.	H	α-helix	trans	-60.2	-34.9	-179.4	178.2	-97.2	0	0	0	112.5	D106 F112 Q113 E114	D106-Y110 WeakPolarHBondContact O-CB 3.48Å; D106-Y110 PolarHBondContact O-N 3.26Å; Y110-F112 PolarHBondContact O-N 3.39Å; Y110-Q113 WeakPolarHBondContact O-CA 3.18Å; Y110-Q113 WeakPolarHBondContact O-CB 3.42Å; Y110-Q113 PolarHBondContact O-N 3.45Å; Y110-E114 HydrophobicContact CE1-CB 4.11Å; Y110-E114 PolarHBondContact O-N 3.17Å
111	R	96.6	Very high	94.4	Very high	138 Å²	138	99.6 Å²	99.6	52%	0.521	50%	0.503	S	S	.	.	H	α-helix	trans	-57.5	-34	174.9	-71.4	-45.8	173.7	-160.1	-6	113	P107 I109 E114 V115	P107-R111 VanDerWaalsContact O-CG 3.31Å; P107-R111 WeakPolarHBondContact O-CG 3.33Å; P107-R111 PolarHBondContact O-N 2.91Å; P107-R111 VanDerWaalsContact O-N 3.11Å; I109-R111 VanDerWaalsContact C-N 3.29Å; I109-R111 PolarHBondContact O-N 3.04Å; R111-E114 WeakPolarHBondContact CD-OE2 3.27Å; R111-E114 IonicContact CZ-OE2 3.69Å; R111-E114 IonicContact NE-OE2 3.3Å; R111-E114 IonicContact NH1-OE1 2.78Å; R111-E114 PolarHBondContact NH1-OE1 3.24Å; R111-E114 IonicContact NH1-OE2 3.9Å; R111-E114 PolarHBondContact NH1-OE2 3.31Å; R111-E114 PolarHBondContact O-N 3.34Å; R111-V115 VanDerWaalsContact O-CG2 3.31Å; R111-V115 WeakPolarHBondContact O-CG2 3.3Å; R111-V115 PolarHBondContact O-N 2.91Å
112	F	95.3	Very high	95.1	Very high	106 Å²	106	97.2 Å²	97.2	47%	0.465	49%	0.491	S	S	.	.	H	α-helix	trans	-68.4	-37.1	174.8	-69.7	-83.5	0	0	0	112	T108 I109 Y110 V116 M145 V159	T108-F112 WeakPolarHBondContact O-CD2 3.35Å; I109-F112 WeakPolarHBondContact O-CB 3.48Å; I109-F112 PolarHBondContact O-N 3.31Å; Y110-F112 PolarHBondContact O-N 3.39Å; F112-V116 WeakPolarHBondContact O-CG2 3.31Å; F112-V116 PolarHBondContact O-N 3.25Å; F112-M145 HydrophobicContact CZ-CE 4.33Å; F112-V159 HydrophobicContact CE1-CG2 4.18Å; F112-V159 HydrophobicContact CZ-CG2 4.44Å
113	Q	93.9	Very high	95.5	Very high	71 Å²	71	94.3 Å²	94.3	33%	0.332	48%	0.481	S	S	.	.	H	α-helix	trans	-67.6	-43.5	175.2	-60.3	-178	-55.2	0	0	111.2	L104 Y110 V115 V116 L117	L104-Q113 PolarHBondContact O-OE1 2.82Å; Y110-Q113 WeakPolarHBondContact O-CA 3.18Å; Y110-Q113 WeakPolarHBondContact O-CB 3.42Å; Y110-Q113 PolarHBondContact O-N 3.45Å; Q113-V115 VanDerWaalsContact C-N 3.33Å; Q113-V115 PolarHBondContact O-N 3.38Å; Q113-V116 PolarHBondContact O-N 3.07Å; Q113-V116 VanDerWaalsContact O-N 3.13Å; Q113-L117 WeakPolarHBondContact O-CG 3.3Å; Q113-L117 PolarHBondContact O-N 3.3Å
114	E	96.5	Very high	96	Very high	55 Å²	55	97.2 Å²	97.2	26%	0.257	49%	0.492	S	S	.	.	H	α-helix	trans	-59.6	-41.9	176	-175.3	177.2	-128.4	0	0	111.8	Y110 R111 V116 L117 L118	Y110-E114 HydrophobicContact CE1-CB 4.11Å; Y110-E114 PolarHBondContact O-N 3.17Å; R111-E114 WeakPolarHBondContact CD-OE2 3.27Å; R111-E114 IonicContact CZ-OE2 3.69Å; R111-E114 IonicContact NE-OE2 3.3Å; R111-E114 IonicContact NH1-OE1 2.78Å; R111-E114 PolarHBondContact NH1-OE1 3.24Å; R111-E114 IonicContact NH1-OE2 3.9Å; R111-E114 PolarHBondContact NH1-OE2 3.31Å; R111-E114 PolarHBondContact O-N 3.34Å; E114-V116 VanDerWaalsContact C-N 3.34Å; E114-V116 PolarHBondContact O-N 3.18Å; E114-L117 PolarHBondContact O-N 2.93Å; E114-L118 HydrophobicContact CG-CD1 3.76Å; E114-L118 HydrophobicContact CG-CG 4.19Å; E114-L118 WeakPolarHBondContact O-CB 3.35Å; E114-L118 WeakPolarHBondContact O-CG 3.36Å; E114-L118 PolarHBondContact O-N 2.79Å
115	V	97	Very high	96.5	Very high	71 Å²	71	96.5 Å²	96.5	43%	0.43	50%	0.496	S	S	.	.	H	α-helix	trans	-58.8	-45.8	173.3	167.3	0	0	0	0	111.1	R111 Q113 L117 L118 Y119	R111-V115 VanDerWaalsContact O-CG2 3.31Å; R111-V115 WeakPolarHBondContact O-CG2 3.3Å; R111-V115 PolarHBondContact O-N 2.91Å; Q113-V115 VanDerWaalsContact C-N 3.33Å; Q113-V115 PolarHBondContact O-N 3.38Å; V115-L117 VanDerWaalsContact C-N 3.32Å; V115-L117 PolarHBondContact O-N 2.86Å; V115-L118 PolarHBondContact O-N 2.95Å; V115-Y119 HydrophobicContact CB-CD2 4.4Å; V115-Y119 HydrophobicContact CG1-CD2 4.01Å; V115-Y119 WeakPolarHBondContact O-CB 3.5Å; V115-Y119 VanDerWaalsContact O-CD2 3.31Å; V115-Y119 WeakPolarHBondContact O-CD2 3.37Å; V115-Y119 PolarHBondContact O-N 3.21Å
116	V	95.5	Very high	96.8	Very high	96 Å²	96	92.8 Å²	92.8	58%	0.582	48%	0.483	S	S	*	.	H	α-helix	trans	-63.2	-39.5	177.2	173.5	0	0	0	0	111.4	F112 Q113 E114 G120	F112-V116 WeakPolarHBondContact O-CG2 3.31Å; F112-V116 PolarHBondContact O-N 3.25Å; Q113-V116 PolarHBondContact O-N 3.07Å; Q113-V116 VanDerWaalsContact O-N 3.13Å; E114-V116 VanDerWaalsContact C-N 3.34Å; E114-V116 PolarHBondContact O-N 3.18Å; V116-G120 WeakPolarHBondContact O-CA 3.38Å; V116-G120 PolarHBondContact O-N 2.91Å
117	L	96.3	Very high	96.9	Very high	137 Å²	137	91.9 Å²	91.9	72%	0.717	48%	0.477	S	S	*	.	H	α-helix	trans	-67.8	-44.9	179.1	-70.6	170.6	0	0	0	112.6	Q113 E114 V115	Q113-L117 WeakPolarHBondContact O-CG 3.3Å; Q113-L117 PolarHBondContact O-N 3.3Å; E114-L117 PolarHBondContact O-N 2.93Å; V115-L117 VanDerWaalsContact C-N 3.32Å; V115-L117 PolarHBondContact O-N 2.86Å
118	L	98.2	Very high	96.9	Very high	122 Å²	122	90.1 Å²	90.1	64%	0.639	47%	0.469	S	S	*	.	H	α-helix	trans	-77.5	-38.1	-176.6	-65.9	178.2	0	0	0	112.8	E114 V115	E114-L118 HydrophobicContact CG-CD1 3.76Å; E114-L118 HydrophobicContact CG-CG 4.19Å; E114-L118 WeakPolarHBondContact O-CB 3.35Å; E114-L118 WeakPolarHBondContact O-CG 3.36Å; E114-L118 PolarHBondContact O-N 2.79Å; V115-L118 PolarHBondContact O-N 2.95Å
119	Y	98	Very high	97	Very high	133 Å²	133	93.2 Å²	93.2	52%	0.522	48%	0.477	S	S	.	.	H	α-helix	trans	-105.8	-3.9	-174.2	-59.7	-88.5	0	0	0	113.5	V115 Q121 S122 L123	V115-Y119 HydrophobicContact CB-CD2 4.4Å; V115-Y119 HydrophobicContact CG1-CD2 4.01Å; V115-Y119 WeakPolarHBondContact O-CB 3.5Å; V115-Y119 VanDerWaalsContact O-CD2 3.31Å; V115-Y119 WeakPolarHBondContact O-CD2 3.37Å; V115-Y119 PolarHBondContact O-N 3.21Å; Y119-Q121 VanDerWaalsContact C-N 3.34Å; Y119-Q121 PolarHBondContact O-N 3.43Å; Y119-S122 PolarHBondContact O-N 3.3Å; Y119-S122 PolarHBondContact O-OG 2.88Å; Y119-L123 WeakPolarHBondContact O-CB 3.28Å; Y119-L123 VanDerWaalsContact O-CG 3.28Å; Y119-L123 WeakPolarHBondContact O-CG 3.38Å; Y119-L123 PolarHBondContact O-N 2.94Å
120	G	97.4	Very high	97.2	Very high	26 Å²	26	96.9 Å²	96.9	27%	0.268	49%	0.49	S	S	.	.	H	α-helix	trans	-56.8	-42.8	-173.4	0	0	0	0	0	113.9	V116 K124	V116-G120 WeakPolarHBondContact O-CA 3.38Å; V116-G120 PolarHBondContact O-N 2.91Å; G120-K124 VanDerWaalsContact O-CB 3.28Å; G120-K124 WeakPolarHBondContact O-CB 3.44Å; G120-K124 PolarHBondContact O-N 3.49Å
121	Q	98	Very high	97.3	Very high	149 Å²	149	98.7 Å²	98.7	70%	0.696	50%	0.5	S	S	*	.	H	α-helix	trans	-68.5	-40.8	179.2	-69.2	-68.7	17	0	0	112.8	Y119 K124 A125	Y119-Q121 VanDerWaalsContact C-N 3.34Å; Y119-Q121 PolarHBondContact O-N 3.43Å; Q121-K124 PolarHBondContact O-N 2.83Å; Q121-A125 WeakPolarHBondContact O-CB 3.3Å; Q121-A125 PolarHBondContact O-N 2.81Å
122	S	98.5	Very high	97.4	Very high	64 Å²	64	93.7 Å²	93.7	45%	0.448	49%	0.492	S	S	.	.	H	α-helix	trans	-71.1	-39.5	178.2	51.6	0	0	0	0	111.8	Y119 A125 V126	Y119-S122 PolarHBondContact O-N 3.3Å; Y119-S122 PolarHBondContact O-OG 2.88Å; S122-A125 PolarHBondContact O-N 2.95Å; S122-V126 WeakPolarHBondContact O-CG2 3.17Å; S122-V126 PolarHBondContact O-N 3.27Å
123	L	97.5	Very high	97.5	Very high	101 Å²	101	94.6 Å²	94.6	53%	0.529	50%	0.501	S	S	.	.	H	α-helix	trans	-58.9	-46	171.6	-72.6	171.4	0	0	0	111.6	Y119 M127	Y119-L123 WeakPolarHBondContact O-CB 3.28Å; Y119-L123 VanDerWaalsContact O-CG 3.28Å; Y119-L123 WeakPolarHBondContact O-CG 3.38Å; Y119-L123 PolarHBondContact O-N 2.94Å; L123-M127 VanDerWaalsContact O-CB 3.31Å; L123-M127 WeakPolarHBondContact O-CB 3.35Å; L123-M127 PolarHBondContact O-N 2.94Å
124	K	97.7	Very high	97.6	Very high	143 Å²	143	92 Å²	92	62%	0.622	49%	0.493	S	S	*	.	H	α-helix	trans	-59.7	-47.9	176.7	179.6	-177.2	176.4	-177.9	0	111.8	G120 Q121 M127 A128	G120-K124 VanDerWaalsContact O-CB 3.28Å; G120-K124 WeakPolarHBondContact O-CB 3.44Å; G120-K124 PolarHBondContact O-N 3.49Å; Q121-K124 PolarHBondContact O-N 2.83Å; K124-M127 PolarHBondContact O-N 3.14Å; K124-A128 PolarHBondContact O-N 3Å
125	A	98.5	Very high	97.7	Very high	51 Å²	51	93.9 Å²	93.9	42%	0.421	50%	0.504	S	S	.	.	H	α-helix	trans	-60.8	-49.4	-179.7	0	0	0	0	0	112.1	Q121 S122 M127 A128 E129	Q121-A125 WeakPolarHBondContact O-CB 3.3Å; Q121-A125 PolarHBondContact O-N 2.81Å; S122-A125 PolarHBondContact O-N 2.95Å; A125-M127 VanDerWaalsContact C-N 3.32Å; A125-M127 PolarHBondContact O-N 2.93Å; A125-A128 PolarHBondContact O-N 2.87Å; A125-E129 PolarHBondContact O-N 3.21Å
126	V	98.5	Very high	97.7	Very high	69 Å²	69	93.9 Å²	93.9	42%	0.418	50%	0.501	S	S	.	.	H	α-helix	trans	-64.3	-36.8	178.9	174.7	0	0	0	0	111.8	S122 K130	S122-V126 WeakPolarHBondContact O-CG2 3.17Å; S122-V126 PolarHBondContact O-N 3.27Å; V126-K130 HydrophobicContact CG1-CD 3.97Å; V126-K130 HydrophobicContact CG1-CG 4.47Å; V126-K130 WeakPolarHBondContact O-CB 3.37Å; V126-K130 VanDerWaalsContact O-CG 3.3Å; V126-K130 WeakPolarHBondContact O-CG 3.11Å; V126-K130 PolarHBondContact O-N 2.9Å; V126-K130 VanDerWaalsContact O-N 3.13Å
127	M	97.8	Very high	97.7	Very high	51 Å²	51	90 Å²	90	25%	0.251	48%	0.478	S	S	.	.	H	α-helix	trans	-63.5	-43.6	175	-171.5	178.2	-64.7	0	0	111.2	L123 K124 A125 K130 F131 M136	L123-M127 VanDerWaalsContact O-CB 3.31Å; L123-M127 WeakPolarHBondContact O-CB 3.35Å; L123-M127 PolarHBondContact O-N 2.94Å; K124-M127 PolarHBondContact O-N 3.14Å; A125-M127 VanDerWaalsContact C-N 3.32Å; A125-M127 PolarHBondContact O-N 2.93Å; M127-K130 PolarHBondContact O-N 2.82Å; M127-F131 HydrophobicContact CB-CD2 4.48Å; M127-F131 HydrophobicContact CG-CD2 3.79Å; M127-F131 HydrophobicContact CG-CE2 4.48Å; M127-F131 WeakPolarHBondContact O-CB 3.31Å; M127-F131 WeakPolarHBondContact O-CD2 3.06Å; M127-F131 PolarHBondContact O-N 2.77Å; M127-M136 HydrophobicContact CE-CB 4.11Å; M127-M136 HydrophobicContact SD-CB 4.48Å
128	A	98	Very high	97.6	Very high	51 Å²	51	87.5 Å²	87.5	42%	0.421	48%	0.477	S	S	.	.	H	α-helix	trans	-63.1	-43.3	178.1	0	0	0	0	0	112.5	K124 A125 K130 G132	K124-A128 PolarHBondContact O-N 3Å; A125-A128 PolarHBondContact O-N 2.87Å; A128-K130 VanDerWaalsContact C-N 3.29Å; A128-K130 PolarHBondContact O-N 2.82Å; A128-G132 VanDerWaalsContact O-CA 3.23Å; A128-G132 WeakPolarHBondContact O-CA 3.42Å; A128-G132 PolarHBondContact O-N 2.88Å
129	E	98.5	Very high	97.4	Very high	167 Å²	167	89.1 Å²	89.1	78%	0.78	49%	0.485	S	S	*	.	H	α-helix	trans	-61.7	-36.7	175.2	-71.7	177.7	175.6	0	0	112.6	A125	A125-E129 PolarHBondContact O-N 3.21Å
130	K	98.2	Very high	97.3	Very high	146 Å²	146	87.2 Å²	87.2	64%	0.635	48%	0.483	S	S	*	.	H	α-helix	trans	-86.1	-35.7	-174.7	-73.2	-175.9	-179.2	-57.3	0	114.4	V126 M127 A128	V126-K130 HydrophobicContact CG1-CD 3.97Å; V126-K130 HydrophobicContact CG1-CG 4.47Å; V126-K130 WeakPolarHBondContact O-CB 3.37Å; V126-K130 VanDerWaalsContact O-CG 3.3Å; V126-K130 WeakPolarHBondContact O-CG 3.11Å; V126-K130 PolarHBondContact O-N 2.9Å; V126-K130 VanDerWaalsContact O-N 3.13Å; M127-K130 PolarHBondContact O-N 2.82Å; A128-K130 VanDerWaalsContact C-N 3.29Å; A128-K130 PolarHBondContact O-N 2.82Å
131	F	97.8	Very high	97.2	Very high	125 Å²	125	88.7 Å²	88.7	55%	0.548	48%	0.483	S	S	.	.	H	α-helix	trans	-125.7	-9.1	-167.9	-53.4	-73.4	0	0	0	113.3	M127 F165	M127-F131 HydrophobicContact CB-CD2 4.48Å; M127-F131 HydrophobicContact CG-CD2 3.79Å; M127-F131 HydrophobicContact CG-CE2 4.48Å; M127-F131 WeakPolarHBondContact O-CB 3.31Å; M127-F131 WeakPolarHBondContact O-CD2 3.06Å; M127-F131 PolarHBondContact O-N 2.77Å; F131-F165 HydrophobicContact CB-CD1 4.14Å; F131-F165 HydrophobicContact CB-CD2 3.77Å; F131-F165 HydrophobicContact CB-CE1 3.9Å; F131-F165 HydrophobicContact CB-CE2 3.52Å; F131-F165 HydrophobicContact CB-CG 4.07Å; F131-F165 HydrophobicContact CB-CZ 3.59Å; F131-F165 HydrophobicContact CG-CD2 4.32Å; F131-F165 HydrophobicContact CG-CE2 4.48Å; F131-F165 WeakPolarHBondContact O-CE1 3.3Å; F131-F165 WeakPolarHBondContact O-CZ 3.4Å
132	G	97.6	Very high	97.1	Very high	34 Å²	34	87.3 Å²	87.3	35%	0.351	48%	0.476	S	S	.	.			trans	83.9	-163.8	-175.6	0	0	0	0	0	113	A128 G134	A128-G132 VanDerWaalsContact O-CA 3.23Å; A128-G132 WeakPolarHBondContact O-CA 3.42Å; A128-G132 PolarHBondContact O-N 2.88Å; G132-G134 PolarHBondContact O-N 2.78Å
133	D	97.4	Very high	97.1	Very high	124 Å²	124	86.1 Å²	86.1	66%	0.663	46%	0.464	S	S	*	.	S	Bend	trans	-73.3	114.2	-178.5	-170.4	28	0	0	0	111.4	P167 H168	D133-P167 WeakPolarHBondContact O-CA 3.28Å; D133-H168 PolarHBondContact O-N 3.39Å; D133-H168 IonicContact OD1-CD2 3.66Å; D133-H168 PolarHBondContact OD1-CD2 3.39Å; D133-H168 VanDerWaalsContact OD1-CD2 3.3Å; D133-H168 IonicContact OD2-CD2 3.31Å; D133-H168 IonicContact OD2-CG 3.79Å
134	G	97.2	Very high	97.1	Very high	16 Å²	16	83.1 Å²	83.1	17%	0.165	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172	-176.9	-177	0	0	0	0	0	113.5	G132 L166	G132-G134 PolarHBondContact O-N 2.78Å; G134-L166 CarbonylContact C-O 3.58Å; G134-L166 WeakPolarHBondContact CA-O 3.23Å
135	I	97.4	Very high	97.1	Very high	95 Å²	95	79.9 Å²	79.9	49%	0.487	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	159.6	179.1	63.1	171.7	0	0	0	111.8	L166	I135-L166 HydrophobicContact CG1-CB 4.29Å; I135-L166 PolarHBondContact N-O 3.13Å; I135-L166 WeakPolarHBondContact O-CB 3.42Å; I135-L166 PolarHBondContact O-N 3.07Å
136	M	97	Very high	97.1	Very high	71 Å²	71	82.6 Å²	82.6	35%	0.35	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	132.4	169.8	-176.2	175.2	62.9	0	0	110.4	M127 F141	M127-M136 HydrophobicContact CE-CB 4.11Å; M127-M136 HydrophobicContact SD-CB 4.48Å; M136-F141 HydrophobicContact CE-CE2 3.52Å; M136-F141 HydrophobicContact CE-CZ 4.1Å; M136-F141 HydrophobicContact CG-CD2 4.48Å; M136-F141 HydrophobicContact CG-CE2 4.26Å; M136-F141 HydrophobicContact SD-CD2 4.43Å; M136-F141 HydrophobicContact SD-CE2 3.72Å
137	S	97.2	Very high	97	Very high	16 Å²	16	85 Å²	85	11%	0.112	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	135.4	175.1	-170.1	0	0	0	0	111.3	I139 D140 F141 K164	S137-I139 VanDerWaalsContact C-N 3.35Å; S137-I139 PolarHBondContact OG-N 2.83Å; S137-I139 VanDerWaalsContact OG-N 3.14Å; S137-D140 PolarHBondContact OG-N 2.81Å; S137-D140 VanDerWaalsContact OG-N 3.07Å; S137-F141 WeakPolarHBondContact O-CD2 3.17Å; S137-K164 WeakPolarHBondContact CB-O 3.38Å; S137-K164 PolarHBondContact N-O 3.25Å
138	A	94.2	Very high	97	Very high	84 Å²	84	83.8 Å²	83.8	69%	0.694	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	3.4	167.4	0	0	0	0	0	112.9
139	I	93	Very high	97	Very high	156 Å²	156	87.3 Å²	87.3	80%	0.8	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	-54.6	-176.4	-52.2	-59.2	0	0	0	110.6	S137 F141	S137-I139 VanDerWaalsContact C-N 3.35Å; S137-I139 PolarHBondContact OG-N 2.83Å; S137-I139 VanDerWaalsContact OG-N 3.14Å; I139-F141 PolarHBondContact O-N 3Å
140	D	95.8	Very high	96.9	Very high	92 Å²	92	80 Å²	80	49%	0.492	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	74	167.5	-170.5	-3.3	0	0	0	107.7	S137 G163 K164	S137-D140 PolarHBondContact OG-N 2.81Å; S137-D140 VanDerWaalsContact OG-N 3.07Å; D140-G163 WeakPolarHBondContact O-CA 3.37Å; D140-K164 HydrophobicContact CB-CB 3.93Å; D140-K164 HydrophobicContact CB-CD 4.41Å; D140-K164 PolarHBondContact O-N 2.84Å; D140-K164 WeakPolarHBondContact OD2-CD 3.48Å
141	F	95.6	Very high	96.8	Very high	57 Å²	57	81.7 Å²	81.7	25%	0.25	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	140.7	-162.9	-163.5	-111.9	0	0	0	111.5	M136 S137 I139 I143 L161 N162 G163	M136-F141 HydrophobicContact CE-CE2 3.52Å; M136-F141 HydrophobicContact CE-CZ 4.1Å; M136-F141 HydrophobicContact CG-CD2 4.48Å; M136-F141 HydrophobicContact CG-CE2 4.26Å; M136-F141 HydrophobicContact SD-CD2 4.43Å; M136-F141 HydrophobicContact SD-CE2 3.72Å; S137-F141 WeakPolarHBondContact O-CD2 3.17Å; I139-F141 PolarHBondContact O-N 3Å; F141-I143 HydrophobicContact CD1-CD1 4.15Å; F141-I143 HydrophobicContact CD1-CG1 3.71Å; F141-I143 HydrophobicContact CE1-CD1 3.66Å; F141-I143 HydrophobicContact CE1-CG1 3.32Å; F141-I143 HydrophobicContact CZ-CG1 4.31Å; F141-L161 HydrophobicContact CE1-CD2 4.09Å; F141-L161 HydrophobicContact CE2-CB 4.22Å; F141-L161 HydrophobicContact CZ-CB 3.71Å; F141-L161 HydrophobicContact CZ-CD1 4.46Å; F141-L161 HydrophobicContact CZ-CD2 3.85Å; F141-L161 HydrophobicContact CZ-CG 4.19Å; F141-N162 CarbonylContact C-O 3.3Å; F141-N162 WeakPolarHBondContact CA-O 3.49Å; F141-G163 VanDerWaalsContact CD2-CA 3.49Å
142	Q	96.4	Very high	96.7	Very high	120 Å²	120	79.2 Å²	79.2	56%	0.561	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.9	177.6	-64.8	-179.8	-12.3	0	0	109.8	N162	Q142-N162 HydrophobicContact CB-CB 4.5Å; Q142-N162 PolarHBondContact N-O 3.04Å; Q142-N162 PolarHBondContact O-N 2.99Å
143	I	97.8	Very high	96.7	Very high	39 Å²	39	80 Å²	80	20%	0.2	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.2	173.1	-50.8	176.1	0	0	0	108.3	S54 V56 F141 V159 K160 L161	S54-I143 WeakPolarHBondContact CB-O 3.28Å; S54-I143 PolarHBondContact OG-O 3.4Å; V56-I143 HydrophobicContact CB-CB 3.87Å; V56-I143 HydrophobicContact CB-CG2 3.96Å; V56-I143 HydrophobicContact CG1-CB 3.98Å; V56-I143 HydrophobicContact CG1-CD1 4.15Å; V56-I143 HydrophobicContact CG1-CG2 4.08Å; V56-I143 HydrophobicContact CG2-CB 4.14Å; V56-I143 HydrophobicContact CG2-CG2 3.66Å; F141-I143 HydrophobicContact CD1-CD1 4.15Å; F141-I143 HydrophobicContact CD1-CG1 3.71Å; F141-I143 HydrophobicContact CE1-CD1 3.66Å; F141-I143 HydrophobicContact CE1-CG1 3.32Å; F141-I143 HydrophobicContact CZ-CG1 4.31Å; I143-V159 HydrophobicContact CG2-CG1 3.94Å; I143-K160 WeakPolarHBondContact CA-O 3.38Å; I143-L161 HydrophobicContact CB-CD2 4.47Å; I143-L161 HydrophobicContact CD1-CD2 4.24Å; I143-L161 HydrophobicContact CG1-CD2 3.9Å; I143-L161 HydrophobicContact CG2-CD2 4.01Å
144	T	97.8	Very high	96.7	Very high	38 Å²	38	78 Å²	78	23%	0.233	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.6	163.9	62.2	0	0	0	0	109.7	K160	T144-K160 PolarHBondContact N-O 3.05Å; T144-K160 PolarHBondContact O-N 3.38Å
145	M	98	Very high	96.7	Very high	76 Å²	76	84.4 Å²	84.4	37%	0.374	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.5	174.6	-175.4	177.5	-67.4	0	0	109.7	N55 V56 F112 V157 L158 V159	N55-M145 PolarHBondContact ND2-O 3.37Å; N55-M145 PolarHBondContact OD1-N 3.31Å; N55-M145 VanDerWaalsContact OD1-N 3.1Å; V56-M145 HydrophobicContact CG2-CB 4.22Å; F112-M145 HydrophobicContact CZ-CE 4.33Å; M145-V157 HydrophobicContact CE-CG1 4.24Å; M145-V157 HydrophobicContact CG-CG1 3.75Å; M145-V157 HydrophobicContact SD-CG1 3.82Å; M145-L158 CarbonylContact C-O 3.56Å; M145-L158 WeakPolarHBondContact CA-O 3.31Å; M145-V159 HydrophobicContact CE-CG2 3.95Å; M145-V159 HydrophobicContact CG-CG2 4.38Å
146	E	97.4	Very high	96.7	Very high	107 Å²	107	86.5 Å²	86.5	50%	0.5	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	148.1	-175.6	-68.5	165.4	-143.2	0	0	109.8	L158	E146-L158 HydrophobicContact CB-CD2 4.47Å; E146-L158 PolarHBondContact N-O 3Å; E146-L158 PolarHBondContact O-N 2.99Å
147	E	97.5	Very high	96.8	Very high	120 Å²	120	88.1 Å²	88.1	56%	0.561	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	133.4	167.6	-175.2	173.3	86.9	0	0	108.8	F149 K155	E147-F149 HydrophobicContact CG-CE2 4.26Å; E147-F149 HydrophobicContact CG-CZ 4.27Å; E147-F149 VanDerWaalsContact OE1-CZ 3.29Å; E147-F149 WeakPolarHBondContact OE1-CZ 3.48Å; E147-K155 IonicContact OE1-NZ 3.01Å; E147-K155 WeakPolarHBondContact OE2-CD 3.17Å; E147-K155 WeakPolarHBondContact OE2-CE 3.39Å; E147-K155 IonicContact OE2-NZ 3.06Å; E147-K155 PolarHBondContact OE2-NZ 2.99Å
148	A	97.1	Very high	96.8	Very high	26 Å²	26	91.1 Å²	91.1	22%	0.215	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	169.7	172.4	0	0	0	0	0	109.9	R156 L158	A148-R156 HydrophobicContact CB-CB 4.21Å; A148-R156 PolarHBondContact N-O 3.3Å; A148-R156 PolarHBondContact O-N 3.3Å; A148-L158 HydrophobicContact CB-CB 4.08Å
149	F	97.8	Very high	97	Very high	124 Å²	124	89.5 Å²	89.5	54%	0.544	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.3	176.8	-64.7	-88.1	0	0	0	109.8	E147 E154 K155	E147-F149 HydrophobicContact CG-CE2 4.26Å; E147-F149 HydrophobicContact CG-CZ 4.27Å; E147-F149 VanDerWaalsContact OE1-CZ 3.29Å; E147-F149 WeakPolarHBondContact OE1-CZ 3.48Å; F149-E154 WeakPolarHBondContact CA-O 3.5Å; F149-K155 HydrophobicContact CD1-CG 4.48Å; F149-K155 HydrophobicContact CE1-CG 3.92Å
150	G	96.2	Very high	97.2	Very high	15 Å²	15	87.8 Å²	87.8	16%	0.155	47%	0.465	C	S	.	.			trans	-82.4	176.4	170.5	0	0	0	0	0	112.4	G152 G153 E154	G150-G152 PolarHBondContact O-N 3.37Å; G150-G153 PolarHBondContact O-N 3.45Å; G150-E154 WeakPolarHBondContact CA-OE1 3.16Å; G150-E154 PolarHBondContact N-O 3.4Å
151	N	96.2	Very high	97.3	Very high	181 Å²	181	88.1 Å²	88.1	97%	0.968	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.7	-178.6	-66.1	-6	0	0	0	112.8	G153	N151-G153 VanDerWaalsContact C-N 3.28Å
152	G	96.7	Very high	97.4	Very high	72 Å²	72	89.3 Å²	89.3	74%	0.742	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	3.9	174.3	0	0	0	0	0	113.8	G150 E154	G150-G152 PolarHBondContact O-N 3.37Å; G152-E154 VanDerWaalsContact CA-OE2 3.27Å; G152-E154 WeakPolarHBondContact CA-OE2 3.18Å; G152-E154 PolarHBondContact N-OE2 3.34Å; G152-E154 VanDerWaalsContact N-OE2 3.1Å; G152-E154 PolarHBondContact O-N 2.98Å
153	G	96.5	Very high	97.4	Very high	52 Å²	52	84.5 Å²	84.5	54%	0.536	46%	0.458	S	S	.	.	S	Bend	trans	76.3	6.2	-173.4	0	0	0	0	0	113.8	G150 N151	G150-G153 PolarHBondContact O-N 3.45Å; N151-G153 VanDerWaalsContact C-N 3.28Å
154	E	97.7	Very high	97.5	Very high	81 Å²	81	88.1 Å²	88.1	38%	0.379	47%	0.472	S	S	.	.			trans	-72.8	140.2	178.8	80.1	-71.5	177	0	0	111.3	F149 G150 G152 R156	F149-E154 WeakPolarHBondContact CA-O 3.5Å; G150-E154 WeakPolarHBondContact CA-OE1 3.16Å; G150-E154 PolarHBondContact N-O 3.4Å; G152-E154 VanDerWaalsContact CA-OE2 3.27Å; G152-E154 WeakPolarHBondContact CA-OE2 3.18Å; G152-E154 PolarHBondContact N-OE2 3.34Å; G152-E154 VanDerWaalsContact N-OE2 3.1Å; G152-E154 PolarHBondContact O-N 2.98Å; E154-R156 HydrophobicContact CG-CG 4.45Å; E154-R156 IonicContact OE1-CZ 2.59Å; E154-R156 IonicContact OE1-NH1 2.73Å; E154-R156 PolarHBondContact OE1-NH1 2.94Å
155	K	97.9	Very high	97.5	Very high	150 Å²	150	89.1 Å²	89.1	65%	0.652	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	138	175.1	-70.3	-170.1	173.1	-142.3	0	110.6	E147 F149	E147-K155 IonicContact OE1-NZ 3.01Å; E147-K155 WeakPolarHBondContact OE2-CD 3.17Å; E147-K155 WeakPolarHBondContact OE2-CE 3.39Å; E147-K155 IonicContact OE2-NZ 3.06Å; E147-K155 PolarHBondContact OE2-NZ 2.99Å; F149-K155 HydrophobicContact CD1-CG 4.48Å; F149-K155 HydrophobicContact CE1-CG 3.92Å
156	R	97.8	Very high	97.5	Very high	139 Å²	139	88.6 Å²	88.6	53%	0.525	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.4	177.1	-52.3	-169.1	72.8	91.7	3.4	109.4	A148 E154	A148-R156 HydrophobicContact CB-CB 4.21Å; A148-R156 PolarHBondContact N-O 3.3Å; A148-R156 PolarHBondContact O-N 3.3Å; E154-R156 HydrophobicContact CG-CG 4.45Å; E154-R156 IonicContact OE1-CZ 2.59Å; E154-R156 IonicContact OE1-NH1 2.73Å; E154-R156 PolarHBondContact OE1-NH1 2.94Å
157	V	97.6	Very high	97.5	Very high	106 Å²	106	87.2 Å²	87.2	64%	0.642	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	114.4	171.4	-176.8	0	0	0	0	107.6	M145 V159	M145-V157 HydrophobicContact CE-CG1 4.24Å; M145-V157 HydrophobicContact CG-CG1 3.75Å; M145-V157 HydrophobicContact SD-CG1 3.82Å; V157-V159 HydrophobicContact CG1-CG2 3.91Å
158	L	97.8	Very high	97.4	Very high	79 Å²	79	86.7 Å²	86.7	41%	0.414	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119.1	173	-174.2	146.5	0	0	0	108.5	M145 E146 A148	M145-L158 CarbonylContact C-O 3.56Å; M145-L158 WeakPolarHBondContact CA-O 3.31Å; E146-L158 HydrophobicContact CB-CD2 4.47Å; E146-L158 PolarHBondContact N-O 3Å; E146-L158 PolarHBondContact O-N 2.99Å; A148-L158 HydrophobicContact CB-CB 4.08Å
159	V	97.7	Very high	97.2	Very high	50 Å²	50	92.3 Å²	92.3	30%	0.303	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.6	175.4	-175.5	0	0	0	0	108.6	F112 I143 M145 V157 L161	F112-V159 HydrophobicContact CE1-CG2 4.18Å; F112-V159 HydrophobicContact CZ-CG2 4.44Å; I143-V159 HydrophobicContact CG2-CG1 3.94Å; M145-V159 HydrophobicContact CE-CG2 3.95Å; M145-V159 HydrophobicContact CG-CG2 4.38Å; V157-V159 HydrophobicContact CG1-CG2 3.91Å; V159-L161 HydrophobicContact CG1-CD2 3.9Å; V159-L161 HydrophobicContact CG1-CG 4.43Å
160	K	97.8	Very high	96.9	Very high	120 Å²	120	95.3 Å²	95.3	52%	0.522	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.7	174.9	-177.3	178	179	179.9	0	109.6	I143 T144	I143-K160 WeakPolarHBondContact CA-O 3.38Å; T144-K160 PolarHBondContact N-O 3.05Å; T144-K160 PolarHBondContact O-N 3.38Å
161	L	97.5	Very high	96.7	Very high	99 Å²	99	103.8 Å²	103.8	52%	0.518	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	111.6	174.8	-59.2	-174.6	0	0	0	108.5	F141 I143 V159	F141-L161 HydrophobicContact CE1-CD2 4.09Å; F141-L161 HydrophobicContact CE2-CB 4.22Å; F141-L161 HydrophobicContact CZ-CB 3.71Å; F141-L161 HydrophobicContact CZ-CD1 4.46Å; F141-L161 HydrophobicContact CZ-CD2 3.85Å; F141-L161 HydrophobicContact CZ-CG 4.19Å; I143-L161 HydrophobicContact CB-CD2 4.47Å; I143-L161 HydrophobicContact CD1-CD2 4.24Å; I143-L161 HydrophobicContact CG1-CD2 3.9Å; I143-L161 HydrophobicContact CG2-CD2 4.01Å; V159-L161 HydrophobicContact CG1-CD2 3.9Å; V159-L161 HydrophobicContact CG1-CG 4.43Å
162	N	97.7	Very high	96.5	Very high	82 Å²	82	98.5 Å²	98.5	44%	0.439	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	108	-178.4	-177.2	11	0	0	0	109.9	F141 Q142	F141-N162 CarbonylContact C-O 3.3Å; F141-N162 WeakPolarHBondContact CA-O 3.49Å; Q142-N162 HydrophobicContact CB-CB 4.5Å; Q142-N162 PolarHBondContact N-O 3.04Å; Q142-N162 PolarHBondContact O-N 2.99Å
163	G	97.8	Very high	95.9	Very high	19 Å²	19	103.3 Å²	103.3	20%	0.196	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.3	179.5	0	0	0	0	0	112.8	D140 F141 F165	D140-G163 WeakPolarHBondContact O-CA 3.37Å; F141-G163 VanDerWaalsContact CD2-CA 3.49Å; G163-F165 PolarHBondContact O-N 3.2Å
164	K	98.2	Very high	95	Very high	114 Å²	114	115.6 Å²	115.6	50%	0.496	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-61.4	129.8	171.5	178.8	172.3	175.7	179	0	110.7	S137 D140 L166	S137-K164 WeakPolarHBondContact CB-O 3.38Å; S137-K164 PolarHBondContact N-O 3.25Å; D140-K164 HydrophobicContact CB-CB 3.93Å; D140-K164 HydrophobicContact CB-CD 4.41Å; D140-K164 PolarHBondContact O-N 2.84Å; D140-K164 WeakPolarHBondContact OD2-CD 3.48Å; K164-L166 HydrophobicContact CD-CD2 4.27Å; K164-L166 HydrophobicContact CG-CD2 4.17Å
165	F	98	Very high	94.9	Very high	59 Å²	59	117.4 Å²	117.4	26%	0.259	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.8	134.5	170.1	-178.6	-108.8	0	0	0	110.7	F131 G163 P167	F131-F165 HydrophobicContact CB-CD1 4.14Å; F131-F165 HydrophobicContact CB-CD2 3.77Å; F131-F165 HydrophobicContact CB-CE1 3.9Å; F131-F165 HydrophobicContact CB-CE2 3.52Å; F131-F165 HydrophobicContact CB-CG 4.07Å; F131-F165 HydrophobicContact CB-CZ 3.59Å; F131-F165 HydrophobicContact CG-CD2 4.32Å; F131-F165 HydrophobicContact CG-CE2 4.48Å; F131-F165 WeakPolarHBondContact O-CE1 3.3Å; F131-F165 WeakPolarHBondContact O-CZ 3.4Å; G163-F165 PolarHBondContact O-N 3.2Å; F165-P167 HydrophobicContact CE1-CB 3.96Å
166	L	97.7	Very high	94.8	Very high	66 Å²	66	115.6 Å²	115.6	35%	0.346	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.8	101	-179.3	-59	176.5	0	0	0	108.3	G134 I135 K164	G134-L166 CarbonylContact C-O 3.58Å; G134-L166 WeakPolarHBondContact CA-O 3.23Å; I135-L166 HydrophobicContact CG1-CB 4.29Å; I135-L166 PolarHBondContact N-O 3.13Å; I135-L166 WeakPolarHBondContact O-CB 3.42Å; I135-L166 PolarHBondContact O-N 3.07Å; K164-L166 HydrophobicContact CD-CD2 4.27Å; K164-L166 HydrophobicContact CG-CD2 4.17Å
167	P	97.4	Very high	94.6	Very high	77 Å²	77	114.3 Å²	114.3	50%	0.5	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-67.3	143.6	177.9	27.6	-33.4	0	0	0	110.6	D133 F165	D133-P167 WeakPolarHBondContact O-CA 3.28Å; F165-P167 HydrophobicContact CE1-CB 3.96Å
168	H	95.8	Very high	94.4	Very high	109 Å²	109	114.8 Å²	114.8	51%	0.505	57%	0.571	S	S	.	*			trans	-66.8	137.7	166.8	-75.7	-64.1	0	0	0	109.6	D133	D133-H168 PolarHBondContact O-N 3.39Å; D133-H168 IonicContact OD1-CD2 3.66Å; D133-H168 PolarHBondContact OD1-CD2 3.39Å; D133-H168 VanDerWaalsContact OD1-CD2 3.3Å; D133-H168 IonicContact OD2-CD2 3.31Å; D133-H168 IonicContact OD2-CG 3.79Å
169	L	92.5	Very high	94.2	Very high	144 Å²	144	117.1 Å²	117.1	75%	0.754	58%	0.581	S	S	*	*			trans	-107.4	135.6	-179.5	-59.5	-179.5	0	0	0	109.7	Q171	L169-Q171 PolarHBondContact O-N 2.91Å
170	E	93	Very high	94	Very high	187 Å²	187	121.5 Å²	121.5	87%	0.874	60%	0.599	S	S	*	*			trans	-63.7	126.7	168.4	-174.2	174	-164.2	0	0	109.6	A172	E170-A172 VanDerWaalsContact C-N 3.34Å; E170-A172 PolarHBondContact O-N 3.4Å
171	Q	91.2	Very high	93.7	Very high	193 Å²	193	121.6 Å²	121.6	90%	0.902	61%	0.605	S	S	*	*			trans	-82.6	79.5	-178.2	-63.2	-178.4	13.1	0	0	110	L169	L169-Q171 PolarHBondContact O-N 2.91Å
172	A	91.7	Very high	93.4	Very high	71 Å²	71	123.4 Å²	123.4	59%	0.587	61%	0.611	S	S	*	*			trans	-81.5	127.9	173.6	0	0	0	0	0	110.9	E170 R174	E170-A172 VanDerWaalsContact C-N 3.34Å; E170-A172 PolarHBondContact O-N 3.4Å; A172-R174 PolarHBondContact O-N 3.02Å
173	N	85.2	Confident	93	Very high	172 Å²	172	126.8 Å²	126.8	92%	0.92	63%	0.626	S	S	*	*			trans	-68.2	123.3	162.8	-70.1	-27	0	0	0	108
174	R	77.7	Confident	92.6	Very high	311 Å²	311	136.6 Å²	136.6	100%	1.174	67%	0.665	S	S	*	*			trans	-111	0	166.9	-69.8	-171.6	-176.5	-174.5	1.7	109.5	A172	A172-R174 PolarHBondContact O-N 3.02Å

Retrieved 174 of 174 residues in 46.9 ms (Link to these results)

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