A0A077YYE8_TRITR Loading...

Ras C3 botulinum toxin substrate 1

AlphaFold DB , UniProt , Accession A0A077YYE8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 206 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	37.1	Very low	33.9	Very low	232 Å²	232	157.5 Å²	157.5	100%	1.143	85%	0.845	S	S	*	*				0	113.8	0	-148.5	166.1	-174.1	0	0	106.9	F3	M1-F3 PolarHBondContact O-N 3.48Å
2	R	31.6	Very low	35.1	Very low	254 Å²	254	155.7 Å²	155.7	96%	0.958	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-70	121.3	-174.8	-72.8	178.8	174.1	-166.8	-2	109.6
3	F	31.2	Very low	35.9	Very low	204 Å²	204	150.7 Å²	150.7	90%	0.895	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-94.5	120.4	158.1	-89.2	-85.3	0	0	0	108.3	M1	M1-F3 PolarHBondContact O-N 3.48Å
4	A	31.3	Very low	37	Very low	92 Å²	92	147.5 Å²	147.5	76%	0.76	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-66	128.5	-173.4	0	0	0	0	0	111.3	R6	A4-R6 PolarHBondContact O-N 2.83Å
5	G	26.3	Very low	38.2	Very low	74 Å²	74	145.7 Å²	145.7	76%	0.763	82%	0.815	S	S	*	*			trans	-61.3	113.5	160.6	0	0	0	0	0	108.6	T7	G5-T7 PolarHBondContact O-N 3.31Å
6	R	26.9	Very low	40	Very low	245 Å²	245	139.9 Å²	139.9	93%	0.925	79%	0.787	S	S	*	*			trans	-88.9	82.1	172.6	-141.2	176.2	-169.3	-177.2	2.3	107.4	A4 A8	A4-R6 PolarHBondContact O-N 2.83Å; R6-A8 VanDerWaalsContact C-N 3.26Å; R6-A8 PolarHBondContact O-N 3.11Å
7	T	29.2	Very low	42.8	Very low	131 Å²	131	139 Å²	139	80%	0.804	77%	0.768	S	S	*	*			trans	-66.6	91.3	160.5	43.9	0	0	0	0	107.3	G5 A9	G5-T7 PolarHBondContact O-N 3.31Å; T7-A9 PolarHBondContact O-N 3.15Å
8	A	36.8	Very low	45.7	Very low	86 Å²	86	135.7 Å²	135.7	71%	0.711	76%	0.756	S	S	*	*			trans	-72.7	79.6	162.6	0	0	0	0	0	107.4	R6 N10	R6-A8 VanDerWaalsContact C-N 3.26Å; R6-A8 PolarHBondContact O-N 3.11Å; A8-N10 PolarHBondContact O-N 2.76Å
9	A	36.8	Very low	48.5	Very low	91 Å²	91	128.5 Å²	128.5	75%	0.752	72%	0.716	S	S	*	*			trans	-68.7	71.2	158.7	0	0	0	0	0	106.9	T7 H11	T7-A9 PolarHBondContact O-N 3.15Å; A9-H11 PolarHBondContact O-N 3.42Å; A9-H11 VanDerWaalsContact O-N 3.15Å
10	N	43	Very low	51	Low	132 Å²	132	123.6 Å²	123.6	71%	0.706	69%	0.687	S	S	*	*			trans	-71.4	113.6	175.9	-133.8	9.3	0	0	0	105.7	A8 M12	A8-N10 PolarHBondContact O-N 2.76Å; N10-M12 VanDerWaalsContact C-N 3.33Å; N10-M12 PolarHBondContact O-N 3.08Å
11	H	42.6	Very low	53.3	Low	191 Å²	191	117.7 Å²	117.7	88%	0.884	65%	0.654	S	S	*	*			trans	-42.4	95.4	171.6	-92	-79.8	0	0	0	110.1	A9 S13	A9-H11 PolarHBondContact O-N 3.42Å; A9-H11 VanDerWaalsContact O-N 3.15Å; H11-S13 PolarHBondContact O-N 3.19Å; H11-S13 VanDerWaalsContact O-N 3.08Å
12	M	48.3	Very low	56.2	Low	136 Å²	136	106.6 Å²	106.6	67%	0.67	60%	0.6	S	S	*	*			trans	-73.5	103.8	169	-73.3	-173.7	174.8	0	0	106	N10 A14	N10-M12 VanDerWaalsContact C-N 3.33Å; N10-M12 PolarHBondContact O-N 3.08Å; M12-A14 PolarHBondContact O-N 2.74Å
13	S	45.5	Very low	59.4	Low	91 Å²	91	94.5 Å²	94.5	64%	0.636	55%	0.554	S	S	*	*			trans	-46.7	138.3	166.8	167.1	0	0	0	0	109.5	H11 T15 S16	H11-S13 PolarHBondContact O-N 3.19Å; H11-S13 VanDerWaalsContact O-N 3.08Å; S13-T15 PolarHBondContact O-N 2.8Å; S13-S16 PolarHBondContact O-N 3.23Å
14	A	51.3	Low	62.6	Low	106 Å²	106	84.8 Å²	84.8	88%	0.876	51%	0.512	S	S	*	.	S	Bend	trans	-62.8	2.3	-169.7	0	0	0	0	0	115.6	M12	M12-A14 PolarHBondContact O-N 2.74Å
15	T	54.9	Low	65.8	Low	121 Å²	121	80.4 Å²	80.4	74%	0.742	48%	0.475	S	S	*	.			trans	-138.9	71.3	166.8	61.6	0	0	0	0	110.2	S13 R17	S13-T15 PolarHBondContact O-N 2.8Å; T15-R17 PolarHBondContact O-N 3.45Å; T15-R17 VanDerWaalsContact O-N 3.11Å
16	S	67.3	Low	69.3	Low	52 Å²	52	78 Å²	78	36%	0.364	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-60.3	118.1	166.2	-175.2	0	0	0	0	108.1	S13 S18 M67	S13-S16 PolarHBondContact O-N 3.23Å; S16-S18 PolarHBondContact O-N 3.45Å; S16-M67 PolarHBondContact OG-N 3.35Å
17	R	87.8	Confident	72.6	Confident	125 Å²	125	67.4 Å²	67.4	47%	0.472	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	121.1	176.7	179.8	176	179.4	176.9	-2.2	107.9	T15 V66 M67 V191	T15-R17 PolarHBondContact O-N 3.45Å; T15-R17 VanDerWaalsContact O-N 3.11Å; R17-V66 HydrophobicContact CB-CG1 4.37Å; R17-V66 CarbonylContact O-C 3.5Å; R17-V66 VanDerWaalsContact O-CA 3.28Å; R17-V66 WeakPolarHBondContact O-CA 3.44Å; R17-V66 VanDerWaalsContact O-CB 3.3Å; R17-V66 WeakPolarHBondContact O-CB 3.3Å; R17-M67 PolarHBondContact O-N 3.09Å; R17-V191 PolarHBondContact NH2-O 3.24Å
18	S	95.5	Very high	75.7	Confident	79 Å²	79	65.4 Å²	65.4	55%	0.552	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	140	170.5	-172.2	0	0	0	0	109.5	S16 M67	S16-S18 PolarHBondContact O-N 3.45Å; S18-M67 CarbonylContact C-O 3.58Å; S18-M67 VanDerWaalsContact CA-O 3.3Å; S18-M67 WeakPolarHBondContact CA-O 3.27Å; S18-M67 PolarHBondContact OG-O 2.93Å
19	I	98.1	Very high	78.7	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.1	172.8	-67.2	-179.9	0	0	0	107.4	V66 M67 L68 G69 D91 V92 V188 V191 L192	I19-V66 HydrophobicContact CD1-CB 4.15Å; I19-V66 HydrophobicContact CD1-CG1 3.89Å; I19-V66 HydrophobicContact CD1-CG2 4.13Å; I19-V66 HydrophobicContact CG1-CB 4.41Å; I19-V66 HydrophobicContact CG1-CG1 4.46Å; I19-M67 PolarHBondContact N-O 3.07Å; I19-L68 HydrophobicContact CB-CD1 4.31Å; I19-L68 HydrophobicContact CG2-CD1 4.04Å; I19-G69 PolarHBondContact O-N 2.9Å; I19-D91 WeakPolarHBondContact CA-OD2 3.33Å; I19-D91 HydrophobicContact CG2-CB 3.97Å; I19-V92 HydrophobicContact CG2-CG1 4.26Å; I19-V188 HydrophobicContact CD1-CB 4.42Å; I19-V188 HydrophobicContact CD1-CG1 3.95Å; I19-V188 HydrophobicContact CD1-CG2 4.28Å; I19-V191 HydrophobicContact CD1-CB 4.01Å; I19-V191 HydrophobicContact CD1-CG1 3.89Å; I19-V191 HydrophobicContact CG1-CG1 4.08Å; I19-V191 HydrophobicContact CG2-CB 4.39Å; I19-V191 HydrophobicContact CG2-CG1 4.38Å; I19-V191 HydrophobicContact CG2-CG2 3.98Å; I19-L192 HydrophobicContact CD1-CD2 4.15Å; I19-L192 HydrophobicContact CD1-CG 4.35Å
20	K	98.4	Very high	81.6	Confident	29 Å²	29	57.8 Å²	57.8	13%	0.126	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	115.2	173.7	177.1	171.6	173.5	179.8	0	110.3	V22 W71 S86 P88 D91 V92	K20-V22 HydrophobicContact CG-CG2 4.36Å; K20-W71 HydrophobicContact CG-CG 4.48Å; K20-S86 WeakPolarHBondContact CE-O 3.4Å; K20-S86 PolarHBondContact NZ-O 2.79Å; K20-P88 PolarHBondContact NZ-O 2.95Å; K20-D91 PolarHBondContact N-OD2 2.91Å; K20-D91 WeakPolarHBondContact O-CB 3.43Å; K20-D91 PolarHBondContact O-N 2.98Å; K20-V92 PolarHBondContact O-N 2.84Å
21	C	98.8	Very high	84.2	Confident	0 Å²	0	52 Å²	52	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.2	172.9	-179.8	0	0	0	0	110.3	L68 G69 L70 W71 V92 I94	C21-L68 HydrophobicContact CB-CD1 3.82Å; C21-G69 PolarHBondContact N-O 3.4Å; C21-L70 HydrophobicContact CB-CD2 4.06Å; C21-L70 WeakPolarHBondContact O-CA 3.33Å; C21-W71 PolarHBondContact O-N 2.97Å; C21-V92 VanDerWaalsContact CA-O 3.27Å; C21-V92 WeakPolarHBondContact CA-O 3.32Å; C21-V92 HydrophobicContact CB-CG1 3.82Å; C21-I94 VanDerWaalsContact SG-CD1 3.51Å
22	V	98.8	Very high	86.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.7	175.7	-177.4	0	0	0	0	109.8	K20 V24 W71 T73 Y87 T90 V92 F93 I94	K20-V22 HydrophobicContact CG-CG2 4.36Å; V22-V24 HydrophobicContact CG1-CG1 4.01Å; V22-W71 HydrophobicContact CB-CB 4.28Å; V22-W71 HydrophobicContact CG1-CB 4.27Å; V22-W71 HydrophobicContact CG2-CB 3.86Å; V22-W71 HydrophobicContact CG2-CG 4.15Å; V22-T73 HydrophobicContact CG1-CG2 3.76Å; V22-Y87 HydrophobicContact CG1-CD1 4.14Å; V22-Y87 HydrophobicContact CG1-CE1 4.08Å; V22-T90 HydrophobicContact CB-CG2 3.98Å; V22-T90 HydrophobicContact CG2-CG2 3.64Å; V22-T90 WeakPolarHBondContact CG2-OG1 3.41Å; V22-V92 PolarHBondContact N-O 3.01Å; V22-V92 VanDerWaalsContact N-O 3.09Å; V22-F93 HydrophobicContact CB-CD1 3.74Å; V22-F93 HydrophobicContact CB-CE1 3.66Å; V22-F93 HydrophobicContact CG1-CD1 4.14Å; V22-F93 HydrophobicContact CG1-CE1 3.89Å; V22-F93 HydrophobicContact CG2-CE1 4.28Å; V22-F93 WeakPolarHBondContact O-CA 3.24Å; V22-I94 PolarHBondContact O-N 3.03Å
23	V	98.8	Very high	89.2	Confident	0 Å²	0	39 Å²	39	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.5	-179.9	-168.5	0	0	0	0	109.6	K31 M34 L35 W71 T73 I94	V23-K31 HydrophobicContact CG1-CB 3.86Å; V23-K31 HydrophobicContact CG1-CD 4.06Å; V23-K31 HydrophobicContact CG1-CG 3.93Å; V23-M34 HydrophobicContact CG1-CE 3.72Å; V23-M34 HydrophobicContact CG2-CE 4.32Å; V23-L35 HydrophobicContact CB-CD1 4.3Å; V23-L35 HydrophobicContact CG2-CD1 3.98Å; V23-L35 HydrophobicContact CG2-CD2 3.88Å; V23-L35 HydrophobicContact CG2-CG 4.23Å; V23-W71 PolarHBondContact N-O 2.79Å; V23-T73 PolarHBondContact O-OG1 3.28Å; V23-I94 WeakPolarHBondContact CA-O 3.43Å; V23-I94 HydrophobicContact CG1-CB 4.3Å; V23-I94 HydrophobicContact CG1-CG2 4.27Å; V23-I94 HydrophobicContact CG2-CB 4.25Å; V23-I94 HydrophobicContact CG2-CD1 4.4Å
24	V	98.8	Very high	91.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	169.4	-176.7	-61	0	0	0	0	111.2	V22 K31 T73 Y87 F93 I94 L95 C96 W112 L116	V22-V24 HydrophobicContact CG1-CG1 4.01Å; V24-K31 WeakPolarHBondContact O-CD 3.44Å; V24-T73 HydrophobicContact CG1-CG2 4.48Å; V24-Y87 HydrophobicContact CG1-CE1 3.82Å; V24-F93 HydrophobicContact CG1-CD1 4.45Å; V24-I94 PolarHBondContact N-O 2.93Å; V24-L95 HydrophobicContact CG2-CB 4.32Å; V24-L95 HydrophobicContact CG2-CD1 3.88Å; V24-C96 PolarHBondContact O-N 3.46Å; V24-W112 HydrophobicContact CB-CE3 4.04Å; V24-W112 HydrophobicContact CB-CZ3 4.08Å; V24-W112 HydrophobicContact CG2-CE3 4.41Å; V24-L116 HydrophobicContact CG1-CD2 4.37Å; V24-L116 HydrophobicContact CG2-CD1 3.79Å; V24-L116 HydrophobicContact CG2-CD2 3.99Å; V24-L116 HydrophobicContact CG2-CG 4.24Å
25	G	98.8	Very high	93.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.177	C	C	.	.			trans	133.4	168.7	-174.6	0	0	0	0	0	111.6	K31 G75 C96 W112	G25-K31 PolarHBondContact O-NZ 2.94Å; G25-G75 VanDerWaalsContact O-CA 3.23Å; G25-G75 WeakPolarHBondContact O-CA 3.49Å; G25-C96 WeakPolarHBondContact CA-O 3.19Å; G25-W112 VanDerWaalsContact CA-CE2 3.45Å; G25-W112 WeakPolarHBondContact O-CH2 3.25Å; G25-W112 WeakPolarHBondContact O-CZ2 3.37Å
26	D	98.5	Very high	95.8	Very high	23 Å²	23	25.8 Å²	25.8	12%	0.123	15%	0.151	C	C	.	.	S	Bend	trans	-52.3	160.9	-175.2	-80.6	2.2	0	0	0	113.8	V29 K31 S104 N107 W112	D26-V29 HydrophobicContact CB-CG1 3.64Å; D26-V29 WeakPolarHBondContact O-CG2 3.28Å; D26-K31 PolarHBondContact O-NZ 2.91Å; D26-S104 VanDerWaalsContact OD2-CA 3.26Å; D26-S104 WeakPolarHBondContact OD2-CA 3.3Å; D26-S104 WeakPolarHBondContact OD2-CB 3.28Å; D26-N107 PolarHBondContact OD1-ND2 2.98Å; D26-N107 PolarHBondContact OD2-ND2 3.43Å; D26-W112 PolarHBondContact OD1-NE1 3.43Å
27	G	95.8	Very high	97.2	Very high	22 Å²	22	23.4 Å²	23.4	23%	0.227	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	145.9	165.4	0	0	0	0	0	110.9	V29 G75	G27-V29 PolarHBondContact O-N 2.91Å; G27-G75 PolarHBondContact N-O 2.93Å; G27-G75 VanDerWaalsContact N-O 3.12Å
28	T	96	Very high	97.6	Very high	90 Å²	90	19.1 Å²	19.1	55%	0.552	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	2.6	173.4	78.8	0	0	0	0	117.5	G30 Y47 K131	T28-G30 PolarHBondContact O-N 2.93Å; T28-Y47 HydrophobicContact CG2-CE1 4.18Å; T28-K131 WeakPolarHBondContact O-CE 3.5Å; T28-K131 PolarHBondContact O-NZ 2.89Å
29	V	98.3	Very high	97.5	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.018	11%	0.105	C	C	.	.	S	Bend	trans	-66.4	-23	178.1	-58.4	0	0	0	0	112.7	D26 G27 K31 C96 T130 K131	D26-V29 HydrophobicContact CB-CG1 3.64Å; D26-V29 WeakPolarHBondContact O-CG2 3.28Å; G27-V29 PolarHBondContact O-N 2.91Å; V29-K31 HydrophobicContact CG2-CD 4.41Å; V29-K31 HydrophobicContact CG2-CG 3.72Å; V29-C96 HydrophobicContact CG2-CB 3.74Å; V29-T130 WeakPolarHBondContact O-CB 3.26Å; V29-T130 PolarHBondContact O-OG1 3.47Å; V29-K131 VanDerWaalsContact O-CE 3.3Å; V29-K131 WeakPolarHBondContact O-CE 3.34Å
30	G	98	Very high	97.2	Very high	13 Å²	13	20.7 Å²	20.7	13%	0.134	13%	0.125	C	C	.	.	S	Bend	trans	111.8	21.7	175.9	0	0	0	0	0	115.2	T28 C33 M34	T28-G30 PolarHBondContact O-N 2.93Å; G30-C33 PolarHBondContact O-N 2.79Å; G30-M34 VanDerWaalsContact O-CB 3.29Å; G30-M34 WeakPolarHBondContact O-CB 3.34Å; G30-M34 PolarHBondContact O-N 2.84Å
31	K	98.3	Very high	96.9	Very high	10 Å²	10	25 Å²	25	4%	0.043	15%	0.15	C	C	.	.	H	α-helix	trans	-53.2	-55	175.6	-56.1	-172.3	-58.8	-76.5	0	111.8	V23 V24 G25 D26 V29 M34 L35 T73 C96	V23-K31 HydrophobicContact CG1-CB 3.86Å; V23-K31 HydrophobicContact CG1-CD 4.06Å; V23-K31 HydrophobicContact CG1-CG 3.93Å; V24-K31 WeakPolarHBondContact O-CD 3.44Å; G25-K31 PolarHBondContact O-NZ 2.94Å; D26-K31 PolarHBondContact O-NZ 2.91Å; V29-K31 HydrophobicContact CG2-CD 4.41Å; V29-K31 HydrophobicContact CG2-CG 3.72Å; K31-M34 WeakPolarHBondContact O-CB 3.07Å; K31-M34 PolarHBondContact O-N 2.76Å; K31-L35 WeakPolarHBondContact O-CG 3.1Å; K31-L35 PolarHBondContact O-N 3.1Å; K31-T73 WeakPolarHBondContact CE-O 3.33Å; K31-T73 PolarHBondContact NZ-O 3.09Å; K31-C96 HydrophobicContact CG-CB 3.97Å
32	T	97.4	Very high	96.6	Very high	28 Å²	28	30.7 Å²	30.7	17%	0.172	18%	0.179	C	C	.	.	H	α-helix	trans	-63.3	-45.1	-179.4	-44.8	0	0	0	0	112	M34 L35 I36 T50 D72	T32-M34 VanDerWaalsContact C-N 3.31Å; T32-M34 PolarHBondContact O-N 2.84Å; T32-L35 PolarHBondContact O-N 2.89Å; T32-I36 HydrophobicContact CG2-CD1 3.76Å; T32-I36 HydrophobicContact CG2-CG1 4.36Å; T32-I36 WeakPolarHBondContact O-CB 3.4Å; T32-I36 WeakPolarHBondContact O-CG1 3.41Å; T32-I36 PolarHBondContact O-N 3.35Å; T32-T50 PolarHBondContact OG1-OG1 3.17Å; T32-D72 VanDerWaalsContact CA-OD2 3.27Å; T32-D72 WeakPolarHBondContact CA-OD2 3.25Å; T32-D72 WeakPolarHBondContact CB-OD2 3.47Å; T32-D72 WeakPolarHBondContact CG2-OD2 3.06Å; T32-D72 PolarHBondContact OG1-OD2 2.9Å
33	C	97.5	Very high	96.2	Very high	28 Å²	28	34 Å²	34	19%	0.189	19%	0.194	C	C	.	.	H	α-helix	trans	-59.2	-42.1	175.3	-54.7	0	0	0	0	111.9	G30 S37 F43 P44 A174	G30-C33 PolarHBondContact O-N 2.79Å; C33-S37 WeakPolarHBondContact O-CB 3.17Å; C33-S37 PolarHBondContact O-N 2.87Å; C33-F43 HydrophobicContact CB-CD2 4.39Å; C33-F43 HydrophobicContact CB-CE2 3.79Å; C33-F43 HydrophobicContact CB-CZ 4.37Å; C33-P44 HydrophobicContact CB-CG 4.24Å; C33-A174 HydrophobicContact CB-CB 3.92Å
34	M	98.2	Very high	95.8	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-43.8	177.2	-175.9	-172.6	69.2	0	0	111.4	V23 G30 K31 T32 Y38 I94 V128 T130 A174 L180 V183 F184	V23-M34 HydrophobicContact CG1-CE 3.72Å; V23-M34 HydrophobicContact CG2-CE 4.32Å; G30-M34 VanDerWaalsContact O-CB 3.29Å; G30-M34 WeakPolarHBondContact O-CB 3.34Å; G30-M34 PolarHBondContact O-N 2.84Å; K31-M34 WeakPolarHBondContact O-CB 3.07Å; K31-M34 PolarHBondContact O-N 2.76Å; T32-M34 VanDerWaalsContact C-N 3.31Å; T32-M34 PolarHBondContact O-N 2.84Å; M34-Y38 VanDerWaalsContact O-CB 3.25Å; M34-Y38 WeakPolarHBondContact O-CB 3.47Å; M34-Y38 PolarHBondContact O-N 3.19Å; M34-Y38 VanDerWaalsContact O-N 3.08Å; M34-I94 HydrophobicContact CE-CG2 4.02Å; M34-V128 HydrophobicContact SD-CG1 4.28Å; M34-T130 HydrophobicContact SD-CG2 4.42Å; M34-A174 HydrophobicContact CB-CB 4.45Å; M34-L180 HydrophobicContact CB-CD1 4.3Å; M34-L180 HydrophobicContact CG-CD1 3.36Å; M34-V183 HydrophobicContact SD-CG1 4.33Å; M34-F184 HydrophobicContact CE-CZ 4.15Å; M34-F184 HydrophobicContact CG-CE2 4.29Å; M34-F184 HydrophobicContact CG-CZ 4.06Å; M34-F184 HydrophobicContact SD-CZ 4.49Å
35	L	97.6	Very high	95.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-68.9	-47.2	178.9	-70.1	174.7	0	0	0	112.7	V23 K31 T32 Y38 T39 Y55 L70 D72 F184	V23-L35 HydrophobicContact CB-CD1 4.3Å; V23-L35 HydrophobicContact CG2-CD1 3.98Å; V23-L35 HydrophobicContact CG2-CD2 3.88Å; V23-L35 HydrophobicContact CG2-CG 4.23Å; K31-L35 WeakPolarHBondContact O-CG 3.1Å; K31-L35 PolarHBondContact O-N 3.1Å; T32-L35 PolarHBondContact O-N 2.89Å; L35-Y38 PolarHBondContact O-N 3.07Å; L35-T39 WeakPolarHBondContact O-CB 3.49Å; L35-T39 WeakPolarHBondContact O-CG2 3.41Å; L35-T39 PolarHBondContact O-N 3.03Å; L35-T39 PolarHBondContact O-OG1 3.28Å; L35-Y55 HydrophobicContact CB-CD2 4.38Å; L35-Y55 HydrophobicContact CB-CE2 4.35Å; L35-Y55 HydrophobicContact CD1-CD2 4.49Å; L35-Y55 HydrophobicContact CD1-CE2 4.49Å; L35-L70 HydrophobicContact CD2-CB 3.76Å; L35-L70 HydrophobicContact CD2-CD1 3.74Å; L35-L70 HydrophobicContact CD2-CD2 4.03Å; L35-L70 HydrophobicContact CD2-CG 4.04Å; L35-D72 HydrophobicContact CD1-CB 3.41Å; L35-D72 VanDerWaalsContact CD1-CB 3.41Å; L35-F184 HydrophobicContact CD2-CE1 3.8Å; L35-F184 HydrophobicContact CD2-CZ 3.97Å
36	I	94.7	Very high	94.6	Very high	39 Å²	39	52.1 Å²	52.1	20%	0.2	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-48.4	178	-67.4	174.6	0	0	0	110.2	T32 Y38 T39 T40 P44 Y55	T32-I36 HydrophobicContact CG2-CD1 3.76Å; T32-I36 HydrophobicContact CG2-CG1 4.36Å; T32-I36 WeakPolarHBondContact O-CB 3.4Å; T32-I36 WeakPolarHBondContact O-CG1 3.41Å; T32-I36 PolarHBondContact O-N 3.35Å; I36-Y38 VanDerWaalsContact C-N 3.27Å; I36-Y38 PolarHBondContact O-N 2.89Å; I36-T39 PolarHBondContact O-N 2.68Å; I36-T39 VanDerWaalsContact O-N 3.15Å; I36-T39 PolarHBondContact O-OG1 2.98Å; I36-T40 HydrophobicContact CG2-CG2 4.35Å; I36-T40 WeakPolarHBondContact CG2-OG1 3.35Å; I36-T40 WeakPolarHBondContact O-CB 3.12Å; I36-T40 PolarHBondContact O-N 2.96Å; I36-T40 PolarHBondContact O-OG1 3.32Å; I36-P44 HydrophobicContact CD1-CB 4.46Å; I36-P44 HydrophobicContact CD1-CG 4.34Å; I36-Y55 HydrophobicContact CG1-CE1 4.38Å
37	S	96.5	Very high	93.8	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.014	30%	0.3	C	S	.	.	H	α-helix	trans	-60.8	-36.7	179.5	-179.5	0	0	0	0	112.4	C33 D41 L42 A174 Q177 L180	C33-S37 WeakPolarHBondContact O-CB 3.17Å; C33-S37 PolarHBondContact O-N 2.87Å; S37-D41 VanDerWaalsContact O-CA 3.29Å; S37-D41 WeakPolarHBondContact O-CA 3.46Å; S37-D41 PolarHBondContact O-N 2.79Å; S37-D41 VanDerWaalsContact O-N 3.11Å; S37-L42 WeakPolarHBondContact CA-O 3.4Å; S37-L42 PolarHBondContact N-O 3.19Å; S37-A174 WeakPolarHBondContact CB-O 3.16Å; S37-A174 PolarHBondContact OG-O 2.97Å; S37-Q177 PolarHBondContact O-NE2 3.06Å; S37-L180 WeakPolarHBondContact OG-CD2 3.25Å
38	Y	96.3	Very high	93.3	Very high	34 Å²	34	61.4 Å²	61.4	13%	0.133	32%	0.32	C	S	.	.	H	α-helix	trans	-70.8	-36.9	176.1	174.4	-111	0	0	0	113.4	M34 L35 I36 L70 F184	M34-Y38 VanDerWaalsContact O-CB 3.25Å; M34-Y38 WeakPolarHBondContact O-CB 3.47Å; M34-Y38 PolarHBondContact O-N 3.19Å; M34-Y38 VanDerWaalsContact O-N 3.08Å; L35-Y38 PolarHBondContact O-N 3.07Å; I36-Y38 VanDerWaalsContact C-N 3.27Å; I36-Y38 PolarHBondContact O-N 2.89Å; Y38-L70 HydrophobicContact CD1-CD1 3.94Å; Y38-L70 HydrophobicContact CE1-CD1 4.15Å; Y38-F184 HydrophobicContact CD1-CD1 4.16Å; Y38-F184 AromaticContact CD1-CD2 3.66Å; Y38-F184 HydrophobicContact CD1-CD2 3.66Å; Y38-F184 HydrophobicContact CD1-CE1 4.16Å; Y38-F184 AromaticContact CD1-CE2 3.69Å; Y38-F184 HydrophobicContact CD1-CE2 3.69Å; Y38-F184 AromaticContact CD1-CG 3.9Å; Y38-F184 HydrophobicContact CD1-CG 3.9Å; Y38-F184 AromaticContact CD1-CZ 3.93Å; Y38-F184 HydrophobicContact CD1-CZ 3.93Å; Y38-F184 AromaticContact CD2-CD2 3.33Å; Y38-F184 HydrophobicContact CD2-CD2 3.33Å; Y38-F184 AromaticContact CD2-CE2 3.67Å; Y38-F184 HydrophobicContact CD2-CE2 3.67Å; Y38-F184 HydrophobicContact CD2-CG 4.14Å; Y38-F184 HydrophobicContact CE1-CB 4.16Å; Y38-F184 HydrophobicContact CE1-CD1 4.18Å; Y38-F184 AromaticContact CE1-CD2 3.94Å; Y38-F184 HydrophobicContact CE1-CD2 3.94Å; Y38-F184 HydrophobicContact CE1-CE2 4.42Å; Y38-F184 AromaticContact CE1-CG 3.81Å; Y38-F184 HydrophobicContact CE1-CG 3.81Å; Y38-F184 HydrophobicContact CE2-CB 4.1Å; Y38-F184 AromaticContact CE2-CD2 3.63Å; Y38-F184 HydrophobicContact CE2-CD2 3.63Å; Y38-F184 HydrophobicContact CE2-CE2 4.4Å; Y38-F184 HydrophobicContact CE2-CG 4.05Å; Y38-F184 AromaticContact CG-CD2 3.34Å; Y38-F184 HydrophobicContact CG-CD2 3.34Å; Y38-F184 AromaticContact CG-CE2 3.26Å; Y38-F184 HydrophobicContact CG-CE2 3.26Å; Y38-F184 HydrophobicContact CG-CG 4.07Å; Y38-F184 AromaticContact CG-CZ 3.9Å; Y38-F184 HydrophobicContact CG-CZ 3.9Å; Y38-F184 AromaticContact CZ-CD2 3.93Å; Y38-F184 AromaticContact CZ-CG 3.89Å
39	T	93.4	Very high	92.9	Very high	45 Å²	45	59.9 Å²	59.9	28%	0.276	31%	0.312	S	S	.	.	H	α-helix	trans	-91.6	-20.5	-173	53	0	0	0	0	113.9	L35 I36 L70	L35-T39 WeakPolarHBondContact O-CB 3.49Å; L35-T39 WeakPolarHBondContact O-CG2 3.41Å; L35-T39 PolarHBondContact O-N 3.03Å; L35-T39 PolarHBondContact O-OG1 3.28Å; I36-T39 PolarHBondContact O-N 2.68Å; I36-T39 VanDerWaalsContact O-N 3.15Å; I36-T39 PolarHBondContact O-OG1 2.98Å; T39-L70 HydrophobicContact CG2-CD1 3.85Å
40	T	92.6	Very high	92.5	Very high	68 Å²	68	60.5 Å²	60.5	42%	0.417	32%	0.316	S	S	.	.	H	α-helix	trans	-124	-6.7	-173.8	68.7	0	0	0	0	114	I36 L42	I36-T40 HydrophobicContact CG2-CG2 4.35Å; I36-T40 WeakPolarHBondContact CG2-OG1 3.35Å; I36-T40 WeakPolarHBondContact O-CB 3.12Å; I36-T40 PolarHBondContact O-N 2.96Å; I36-T40 PolarHBondContact O-OG1 3.32Å; T40-L42 PolarHBondContact O-N 3.15Å; T40-L42 PolarHBondContact OG1-N 3.43Å
41	D	92	Very high	91.9	Very high	119 Å²	119	63.7 Å²	63.7	64%	0.636	33%	0.332	S	S	*	.	S	Bend	trans	57.4	20.6	-171.1	-64.4	-52.3	0	0	0	114.4	S37 Q177	S37-D41 VanDerWaalsContact O-CA 3.29Å; S37-D41 WeakPolarHBondContact O-CA 3.46Å; S37-D41 PolarHBondContact O-N 2.79Å; S37-D41 VanDerWaalsContact O-N 3.11Å; D41-Q177 PolarHBondContact OD1-NE2 3.13Å; D41-Q177 VanDerWaalsContact OD1-NE2 3.14Å
42	L	92.8	Very high	91.4	Very high	119 Å²	119	66.8 Å²	66.8	62%	0.623	35%	0.346	S	S	*	.			trans	-123.8	140.4	179.7	-62.7	175	0	0	0	111.5	S37 T40	S37-L42 WeakPolarHBondContact CA-O 3.4Å; S37-L42 PolarHBondContact N-O 3.19Å; T40-L42 PolarHBondContact O-N 3.15Å; T40-L42 PolarHBondContact OG1-N 3.43Å
43	F	91.1	Very high	91.1	Very high	71 Å²	71	69 Å²	69	31%	0.311	36%	0.357	S	S	.	.			trans	-90.2	125.4	169.1	-171.8	-94.6	0	0	0	110.1	C33 Q45 A174 L175	C33-F43 HydrophobicContact CB-CD2 4.39Å; C33-F43 HydrophobicContact CB-CE2 3.79Å; C33-F43 HydrophobicContact CB-CZ 4.37Å; F43-Q45 PolarHBondContact O-N 3.22Å; F43-A174 HydrophobicContact CD2-CB 4.05Å; F43-A174 HydrophobicContact CE2-CB 3.96Å; F43-L175 HydrophobicContact CB-CD1 4.21Å; F43-L175 HydrophobicContact CD1-CD1 3.86Å; F43-L175 HydrophobicContact CD2-CB 4.01Å; F43-L175 HydrophobicContact CD2-CD1 4.22Å; F43-L175 HydrophobicContact CE1-CD1 4.26Å; F43-L175 HydrophobicContact CE2-CB 4.01Å; F43-L175 HydrophobicContact CG-CB 4.47Å; F43-L175 HydrophobicContact CG-CD1 3.82Å; F43-L175 HydrophobicContact CZ-CB 4.5Å
44	P	88.7	Confident	90.9	Very high	33 Å²	33	71.5 Å²	71.5	21%	0.214	37%	0.369	C	S	.	.			trans	-66.4	132.5	179.5	27.8	-34.1	0	0	0	110.8	C33 I36	C33-P44 HydrophobicContact CB-CG 4.24Å; I36-P44 HydrophobicContact CD1-CB 4.46Å; I36-P44 HydrophobicContact CD1-CG 4.34Å
45	Q	86.5	Confident	90.7	Very high	176 Å²	176	74.2 Å²	74.2	82%	0.822	38%	0.379	S	S	*	.	S	Bend	trans	-85.2	-23.7	-179.6	-64.3	-64.8	-30.5	0	0	112.9	F43	F43-Q45 PolarHBondContact O-N 3.22Å
46	E	85.5	Confident	90.5	Very high	171 Å²	171	78.3 Å²	78.3	80%	0.799	41%	0.408	S	S	*	.	S	Bend	trans	-109.9	145.1	-179.5	-65.4	-178.8	-174.5	0	0	110.6
47	Y	82.6	Confident	90.3	Very high	132 Å²	132	77.3 Å²	77.3	52%	0.518	41%	0.405	S	S	.	.			trans	-103.6	120.7	176.9	177.2	-115	0	0	0	111	T28 P49	T28-Y47 HydrophobicContact CG2-CE1 4.18Å; Y47-P49 HydrophobicContact CE1-CG 3.79Å
48	V	85.1	Confident	90.1	Very high	107 Å²	107	81 Å²	81	65%	0.648	43%	0.43	S	S	*	.			trans	-121.2	125.2	167.8	-179.3	0	0	0	0	107.9	T50	V48-T50 PolarHBondContact O-N 3.49Å
49	P	88.6	Confident	90.1	Very high	58 Å²	58	80.4 Å²	80.4	38%	0.377	43%	0.428	S	S	.	.			trans	-61.3	118.8	174.7	-22	31.8	0	0	0	111.5	Y47	Y47-P49 HydrophobicContact CE1-CG 3.79Å
50	T	88.9	Confident	90.2	Very high	16 Å²	16	82 Å²	82	10%	0.098	44%	0.438	C	S	.	.			trans	-69	133.8	179.8	-51.4	0	0	0	0	111.6	T32 V48 D72 A74	T32-T50 PolarHBondContact OG1-OG1 3.17Å; V48-T50 PolarHBondContact O-N 3.49Å; T50-D72 HydrophobicContact CG2-CB 4.29Å; T50-A74 VanDerWaalsContact O-CA 3.22Å; T50-A74 WeakPolarHBondContact O-CA 3.31Å; T50-A74 VanDerWaalsContact O-CB 3.23Å; T50-A74 WeakPolarHBondContact O-CB 3.46Å
51	V	84.7	Confident	90.3	Very high	80 Å²	80	79 Å²	79	49%	0.485	42%	0.419	S	S	.	.	S	Bend	trans	-85.6	-59.3	164.1	176.7	0	0	0	0	108.6	A74 Y79	V51-A74 WeakPolarHBondContact O-CB 3.34Å; V51-A74 PolarHBondContact O-N 3.22Å; V51-A74 VanDerWaalsContact O-N 3.14Å; V51-Y79 HydrophobicContact CB-CE1 4.24Å; V51-Y79 HydrophobicContact CG1-CD1 4.1Å; V51-Y79 HydrophobicContact CG1-CE1 3.6Å; V51-Y79 HydrophobicContact CG2-CE1 3.98Å; V51-Y79 WeakPolarHBondContact CG2-OH 3.33Å
52	F	87.9	Confident	90.3	Very high	76 Å²	76	76.5 Å²	76.5	33%	0.333	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	137.5	177.2	173.9	-104	0	0	0	109.9	N54 W71 D72 S86	F52-N54 WeakPolarHBondContact CE1-ND2 3.49Å; F52-N54 WeakPolarHBondContact CZ-ND2 3.35Å; F52-N54 WeakPolarHBondContact CZ-OD1 3.45Å; F52-W71 HydrophobicContact CE1-CE3 4.43Å; F52-W71 HydrophobicContact CE1-CZ3 4.28Å; F52-W71 HydrophobicContact CE2-CB 4.19Å; F52-W71 HydrophobicContact CE2-CD2 4.05Å; F52-W71 AromaticContact CE2-CE3 3.3Å; F52-W71 HydrophobicContact CE2-CE3 3.3Å; F52-W71 HydrophobicContact CE2-CG 4.48Å; F52-W71 AromaticContact CE2-CZ3 3.87Å; F52-W71 HydrophobicContact CE2-CZ3 3.87Å; F52-W71 AromaticContact CZ-CD2 3.89Å; F52-W71 HydrophobicContact CZ-CD2 3.89Å; F52-W71 AromaticContact CZ-CE3 3.16Å; F52-W71 HydrophobicContact CZ-CE3 3.16Å; F52-W71 HydrophobicContact CZ-CH2 4.2Å; F52-W71 AromaticContact CZ-CZ3 3.33Å; F52-W71 HydrophobicContact CZ-CZ3 3.33Å; F52-D72 WeakPolarHBondContact CA-O 3.42Å; F52-D72 WeakPolarHBondContact CD2-O 3.28Å; F52-S86 WeakPolarHBondContact CE2-OG 3.26Å
53	D	92.4	Very high	90.3	Very high	73 Å²	73	74.2 Å²	74.2	39%	0.39	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	153.8	173.1	-78.2	-56.2	0	0	0	111	Y55 D72	D53-Y55 HydrophobicContact CB-CE2 3.74Å; D53-D72 HydrophobicContact CB-CB 4.19Å; D53-D72 PolarHBondContact N-O 2.89Å; D53-D72 PolarHBondContact O-N 2.82Å
54	N	92.5	Very high	90.3	Very high	82 Å²	82	74.5 Å²	74.5	44%	0.439	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.3	176	-76.9	-40.7	0	0	0	111.3	F52 L70 W71	F52-N54 WeakPolarHBondContact CE1-ND2 3.49Å; F52-N54 WeakPolarHBondContact CZ-ND2 3.35Å; F52-N54 WeakPolarHBondContact CZ-OD1 3.45Å; N54-L70 WeakPolarHBondContact CA-O 3.36Å; N54-W71 VanDerWaalsContact OD1-CG 3.29Å
55	Y	93.6	Very high	90.6	Very high	57 Å²	57	76.3 Å²	76.3	22%	0.224	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	159.1	171.8	-50.1	-97.6	0	0	0	109.5	L35 I36 D53 L70 D72	L35-Y55 HydrophobicContact CB-CD2 4.38Å; L35-Y55 HydrophobicContact CB-CE2 4.35Å; L35-Y55 HydrophobicContact CD1-CD2 4.49Å; L35-Y55 HydrophobicContact CD1-CE2 4.49Å; I36-Y55 HydrophobicContact CG1-CE1 4.38Å; D53-Y55 HydrophobicContact CB-CE2 3.74Å; Y55-L70 PolarHBondContact N-O 3.32Å; Y55-L70 PolarHBondContact O-N 3.14Å; Y55-D72 HydrophobicContact CE2-CB 4.34Å
56	S	93.4	Very high	91.1	Very high	87 Å²	87	68 Å²	68	61%	0.608	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.4	136.8	172.6	61.3	0	0	0	0	110.4	L68	S56-L68 VanDerWaalsContact CA-O 3.28Å; S56-L68 WeakPolarHBondContact CA-O 3.43Å
57	A	90.7	Very high	91.6	Very high	17 Å²	17	62.5 Å²	62.5	14%	0.14	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	140.5	177	0	0	0	0	0	110.8	L68	A57-L68 PolarHBondContact N-O 3.37Å; A57-L68 PolarHBondContact O-N 3.3Å
58	P	93.7	Very high	92.3	Very high	81 Å²	81	56.2 Å²	56.2	53%	0.526	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	132.5	168.1	29.8	-32.7	0	0	0	109.5	V66 M67	P58-V66 WeakPolarHBondContact CA-O 3.48Å; P58-M67 HydrophobicContact CB-CE 4.36Å
59	L	95.1	Very high	92.9	Very high	20 Å²	20	51.7 Å²	51.7	11%	0.105	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	129.5	176.7	-178.2	58.7	0	0	0	110.4	V61 T65 V66 L68 F184 Q185 V188	L59-V61 HydrophobicContact CD1-CG2 4.5Å; L59-V61 HydrophobicContact CD2-CG2 3.9Å; L59-V61 HydrophobicContact CG-CG2 3.8Å; L59-T65 WeakPolarHBondContact O-CA 3.41Å; L59-V66 HydrophobicContact CB-CG2 4.43Å; L59-V66 PolarHBondContact N-O 2.67Å; L59-V66 WeakPolarHBondContact O-CG2 3.4Å; L59-V66 PolarHBondContact O-N 2.81Å; L59-L68 HydrophobicContact CD2-CD2 4.07Å; L59-F184 HydrophobicContact CD2-CB 4.16Å; L59-Q185 HydrophobicContact CD1-CG 4.46Å; L59-Q185 HydrophobicContact CD2-CG 4.45Å; L59-V188 HydrophobicContact CD2-CG2 3.89Å
60	T	95	Very high	93.4	Very high	79 Å²	79	49 Å²	49	49%	0.485	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.2	173.1	-53.4	0	0	0	0	110	N64 T65	T60-N64 CarbonylContact C-O 3.59Å; T60-N64 WeakPolarHBondContact CA-O 3.45Å; T60-T65 PolarHBondContact OG1-OG1 2.97Å
61	V	94.8	Very high	93.9	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.024	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125	176.7	-175.2	0	0	0	0	109.3	L59 G63 N64 Q185 V188 R189	L59-V61 HydrophobicContact CD1-CG2 4.5Å; L59-V61 HydrophobicContact CD2-CG2 3.9Å; L59-V61 HydrophobicContact CG-CG2 3.8Å; V61-G63 PolarHBondContact O-N 2.91Å; V61-N64 PolarHBondContact N-O 3.25Å; V61-N64 WeakPolarHBondContact O-CB 3.43Å; V61-N64 PolarHBondContact O-N 3.18Å; V61-Q185 HydrophobicContact CG2-CB 4.21Å; V61-Q185 HydrophobicContact CG2-CG 4.14Å; V61-V188 HydrophobicContact CB-CB 4.49Å; V61-V188 HydrophobicContact CB-CG1 3.86Å; V61-V188 HydrophobicContact CG2-CB 3.87Å; V61-V188 HydrophobicContact CG2-CG1 3.65Å; V61-R189 HydrophobicContact CG1-CB 4.34Å
62	D	93.4	Very high	94.5	Very high	67 Å²	67	47.8 Å²	47.8	36%	0.358	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	41	179.3	-56.1	-25.3	0	0	0	113.2	N64 R189 R193	D62-N64 VanDerWaalsContact C-N 3.26Å; D62-N64 PolarHBondContact O-N 2.99Å; D62-N64 PolarHBondContact O-ND2 3.09Å; D62-N64 VanDerWaalsContact O-ND2 3.1Å; D62-R189 IonicContact OD1-CZ 2.91Å; D62-R189 IonicContact OD1-NE 2.71Å; D62-R189 IonicContact OD1-NH2 3.63Å; D62-R189 PolarHBondContact OD1-NH2 3.31Å; D62-R189 IonicContact OD2-CZ 2.7Å; D62-R189 IonicContact OD2-NE 3.58Å; D62-R189 PolarHBondContact OD2-NE 2.84Å; D62-R189 IonicContact OD2-NH2 3.52Å; D62-R189 PolarHBondContact OD2-NH2 2.86Å; D62-R193 IonicContact OD2-CZ 3.63Å; D62-R193 IonicContact OD2-NE 2.73Å; D62-R193 IonicContact OD2-NH1 3.89Å; D62-R193 IonicContact OD2-NH2 2.74Å
63	G	91.5	Very high	94.9	Very high	71 Å²	71	44.2 Å²	44.2	73%	0.732	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-3.9	-177.8	0	0	0	0	0	115.5	V61	V61-G63 PolarHBondContact O-N 2.91Å
64	N	92	Very high	95.1	Very high	78 Å²	78	40.9 Å²	40.9	42%	0.417	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.3	178.6	-60.9	-84.9	0	0	0	109.9	T60 V61 D62 L192	T60-N64 CarbonylContact C-O 3.59Å; T60-N64 WeakPolarHBondContact CA-O 3.45Å; V61-N64 PolarHBondContact N-O 3.25Å; V61-N64 WeakPolarHBondContact O-CB 3.43Å; V61-N64 PolarHBondContact O-N 3.18Å; D62-N64 VanDerWaalsContact C-N 3.26Å; D62-N64 PolarHBondContact O-N 2.99Å; D62-N64 PolarHBondContact O-ND2 3.09Å; D62-N64 VanDerWaalsContact O-ND2 3.1Å; N64-L192 HydrophobicContact CB-CD1 3.65Å
65	T	94.4	Very high	95.1	Very high	70 Å²	70	37.4 Å²	37.4	43%	0.429	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124	174.4	-57.9	0	0	0	0	110.1	L59 T60	L59-T65 WeakPolarHBondContact O-CA 3.41Å; T60-T65 PolarHBondContact OG1-OG1 2.97Å
66	V	96.3	Very high	95	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	157.8	179.9	-58.2	0	0	0	0	110.3	R17 I19 P58 L59 V188 L192	R17-V66 HydrophobicContact CB-CG1 4.37Å; R17-V66 CarbonylContact O-C 3.5Å; R17-V66 VanDerWaalsContact O-CA 3.28Å; R17-V66 WeakPolarHBondContact O-CA 3.44Å; R17-V66 VanDerWaalsContact O-CB 3.3Å; R17-V66 WeakPolarHBondContact O-CB 3.3Å; I19-V66 HydrophobicContact CD1-CB 4.15Å; I19-V66 HydrophobicContact CD1-CG1 3.89Å; I19-V66 HydrophobicContact CD1-CG2 4.13Å; I19-V66 HydrophobicContact CG1-CB 4.41Å; I19-V66 HydrophobicContact CG1-CG1 4.46Å; P58-V66 WeakPolarHBondContact CA-O 3.48Å; L59-V66 HydrophobicContact CB-CG2 4.43Å; L59-V66 PolarHBondContact N-O 2.67Å; L59-V66 WeakPolarHBondContact O-CG2 3.4Å; L59-V66 PolarHBondContact O-N 2.81Å; V66-V188 HydrophobicContact CG1-CG1 4.47Å; V66-V188 HydrophobicContact CG2-CG1 3.88Å; V66-V188 HydrophobicContact CG2-CG2 3.88Å; V66-L192 HydrophobicContact CG1-CD1 4.46Å; V66-L192 HydrophobicContact CG1-CD2 4.26Å
67	M	97.2	Very high	94.9	Very high	56 Å²	56	40.7 Å²	40.7	28%	0.276	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	105.4	164.4	-173.9	57.2	65.1	0	0	108.7	S16 R17 S18 I19 P58 G69	S16-M67 PolarHBondContact OG-N 3.35Å; R17-M67 PolarHBondContact O-N 3.09Å; S18-M67 CarbonylContact C-O 3.58Å; S18-M67 VanDerWaalsContact CA-O 3.3Å; S18-M67 WeakPolarHBondContact CA-O 3.27Å; S18-M67 PolarHBondContact OG-O 2.93Å; I19-M67 PolarHBondContact N-O 3.07Å; P58-M67 HydrophobicContact CB-CE 4.36Å; M67-G69 PolarHBondContact O-N 3.38Å
68	L	97.7	Very high	95	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	109.8	179.6	-178.6	60.8	0	0	0	109.4	I19 C21 S56 A57 L59 L70 F184 V188	I19-L68 HydrophobicContact CB-CD1 4.31Å; I19-L68 HydrophobicContact CG2-CD1 4.04Å; C21-L68 HydrophobicContact CB-CD1 3.82Å; S56-L68 VanDerWaalsContact CA-O 3.28Å; S56-L68 WeakPolarHBondContact CA-O 3.43Å; A57-L68 PolarHBondContact N-O 3.37Å; A57-L68 PolarHBondContact O-N 3.3Å; L59-L68 HydrophobicContact CD2-CD2 4.07Å; L68-L70 HydrophobicContact CD1-CD2 4.25Å; L68-L70 HydrophobicContact CD2-CD2 3.8Å; L68-L70 HydrophobicContact CD2-CG 4.46Å; L68-L70 HydrophobicContact CG-CD2 3.73Å; L68-L70 HydrophobicContact CG-CG 4.17Å; L68-F184 HydrophobicContact CD2-CB 4.06Å; L68-F184 HydrophobicContact CD2-CD1 4.11Å; L68-F184 HydrophobicContact CD2-CG 4.47Å; L68-V188 HydrophobicContact CD1-CG2 4.01Å; L68-V188 HydrophobicContact CD2-CG2 4.22Å
69	G	98.1	Very high	95	Very high	12 Å²	12	45.6 Å²	45.6	12%	0.124	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	127.2	169.4	0	0	0	0	0	110.3	I19 C21 M67	I19-G69 PolarHBondContact O-N 2.9Å; C21-G69 PolarHBondContact N-O 3.4Å; M67-G69 PolarHBondContact O-N 3.38Å
70	L	98.3	Very high	95	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.3	-175.8	-59.6	169.6	0	0	0	109.3	C21 L35 Y38 T39 N54 Y55 L68 F184	C21-L70 HydrophobicContact CB-CD2 4.06Å; C21-L70 WeakPolarHBondContact O-CA 3.33Å; L35-L70 HydrophobicContact CD2-CB 3.76Å; L35-L70 HydrophobicContact CD2-CD1 3.74Å; L35-L70 HydrophobicContact CD2-CD2 4.03Å; L35-L70 HydrophobicContact CD2-CG 4.04Å; Y38-L70 HydrophobicContact CD1-CD1 3.94Å; Y38-L70 HydrophobicContact CE1-CD1 4.15Å; T39-L70 HydrophobicContact CG2-CD1 3.85Å; N54-L70 WeakPolarHBondContact CA-O 3.36Å; Y55-L70 PolarHBondContact N-O 3.32Å; Y55-L70 PolarHBondContact O-N 3.14Å; L68-L70 HydrophobicContact CD1-CD2 4.25Å; L68-L70 HydrophobicContact CD2-CD2 3.8Å; L68-L70 HydrophobicContact CD2-CG 4.46Å; L68-L70 HydrophobicContact CG-CD2 3.73Å; L68-L70 HydrophobicContact CG-CG 4.17Å; L70-F184 HydrophobicContact CD1-CE1 4.22Å; L70-F184 HydrophobicContact CD2-CD1 3.79Å; L70-F184 HydrophobicContact CD2-CE1 3.71Å
71	W	98.3	Very high	94.9	Very high	71 Å²	71	54.6 Å²	54.6	27%	0.269	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	105.6	-179.4	-68.4	58.9	0	0	0	108.4	K20 C21 V22 V23 F52 N54	K20-W71 HydrophobicContact CG-CG 4.48Å; C21-W71 PolarHBondContact O-N 2.97Å; V22-W71 HydrophobicContact CB-CB 4.28Å; V22-W71 HydrophobicContact CG1-CB 4.27Å; V22-W71 HydrophobicContact CG2-CB 3.86Å; V22-W71 HydrophobicContact CG2-CG 4.15Å; V23-W71 PolarHBondContact N-O 2.79Å; F52-W71 HydrophobicContact CE1-CE3 4.43Å; F52-W71 HydrophobicContact CE1-CZ3 4.28Å; F52-W71 HydrophobicContact CE2-CB 4.19Å; F52-W71 HydrophobicContact CE2-CD2 4.05Å; F52-W71 AromaticContact CE2-CE3 3.3Å; F52-W71 HydrophobicContact CE2-CE3 3.3Å; F52-W71 HydrophobicContact CE2-CG 4.48Å; F52-W71 AromaticContact CE2-CZ3 3.87Å; F52-W71 HydrophobicContact CE2-CZ3 3.87Å; F52-W71 AromaticContact CZ-CD2 3.89Å; F52-W71 HydrophobicContact CZ-CD2 3.89Å; F52-W71 AromaticContact CZ-CE3 3.16Å; F52-W71 HydrophobicContact CZ-CE3 3.16Å; F52-W71 HydrophobicContact CZ-CH2 4.2Å; F52-W71 AromaticContact CZ-CZ3 3.33Å; F52-W71 HydrophobicContact CZ-CZ3 3.33Å; N54-W71 VanDerWaalsContact OD1-CG 3.29Å
72	D	97.5	Very high	94.9	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	138	173.2	-162.7	7.7	0	0	0	110.1	T32 L35 T50 F52 D53 Y55	T32-D72 VanDerWaalsContact CA-OD2 3.27Å; T32-D72 WeakPolarHBondContact CA-OD2 3.25Å; T32-D72 WeakPolarHBondContact CB-OD2 3.47Å; T32-D72 WeakPolarHBondContact CG2-OD2 3.06Å; T32-D72 PolarHBondContact OG1-OD2 2.9Å; L35-D72 HydrophobicContact CD1-CB 3.41Å; L35-D72 VanDerWaalsContact CD1-CB 3.41Å; T50-D72 HydrophobicContact CG2-CB 4.29Å; F52-D72 WeakPolarHBondContact CA-O 3.42Å; F52-D72 WeakPolarHBondContact CD2-O 3.28Å; D53-D72 HydrophobicContact CB-CB 4.19Å; D53-D72 PolarHBondContact N-O 2.89Å; D53-D72 PolarHBondContact O-N 2.82Å; Y55-D72 HydrophobicContact CE2-CB 4.34Å
73	T	97.6	Very high	95	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.7	-174.2	69.6	0	0	0	0	113.1	V22 V23 V24 K31 G75 R83	V22-T73 HydrophobicContact CG1-CG2 3.76Å; V23-T73 PolarHBondContact O-OG1 3.28Å; V24-T73 HydrophobicContact CG1-CG2 4.48Å; K31-T73 WeakPolarHBondContact CE-O 3.33Å; K31-T73 PolarHBondContact NZ-O 3.09Å; T73-G75 PolarHBondContact O-N 2.54Å; T73-R83 HydrophobicContact CG2-CG 4.27Å
74	A	95.5	Very high	95.3	Very high	2 Å²	2	54 Å²	54	2%	0.017	26%	0.262	C	S	.	.			trans	-59.6	130.8	171.9	0	0	0	0	0	112.1	T50 V51 Y79 R83	T50-A74 VanDerWaalsContact O-CA 3.22Å; T50-A74 WeakPolarHBondContact O-CA 3.31Å; T50-A74 VanDerWaalsContact O-CB 3.23Å; T50-A74 WeakPolarHBondContact O-CB 3.46Å; V51-A74 WeakPolarHBondContact O-CB 3.34Å; V51-A74 PolarHBondContact O-N 3.22Å; V51-A74 VanDerWaalsContact O-N 3.14Å; A74-Y79 HydrophobicContact CB-CD1 4.2Å; A74-Y79 HydrophobicContact CB-CD2 3.66Å; A74-Y79 HydrophobicContact CB-CE2 4.45Å; A74-Y79 HydrophobicContact CB-CG 3.51Å; A74-R83 PolarHBondContact O-NE 3.11Å; A74-R83 PolarHBondContact O-NH2 2.82Å
75	G	92.8	Very high	95.5	Very high	10 Å²	10	56.4 Å²	56.4	10%	0.103	27%	0.274	C	S	.	.			trans	-91.8	-3.4	174.1	0	0	0	0	0	114.9	G25 G27 T73	G25-G75 VanDerWaalsContact O-CA 3.23Å; G25-G75 WeakPolarHBondContact O-CA 3.49Å; G27-G75 PolarHBondContact N-O 2.93Å; G27-G75 VanDerWaalsContact N-O 3.12Å; T73-G75 PolarHBondContact O-N 2.54Å
76	Q	91.9	Very high	95.7	Very high	71 Å²	71	53.6 Å²	53.6	33%	0.332	26%	0.258	S	S	.	.	S	Bend	trans	-85	148.1	-178.2	-60.4	176.2	79.1	0	0	110.8	D78 Y79 R83	Q76-D78 VanDerWaalsContact C-N 3.27Å; Q76-D78 PolarHBondContact O-N 3.29Å; Q76-Y79 HydrophobicContact CB-CD2 4.11Å; Q76-Y79 PolarHBondContact O-N 2.98Å; Q76-R83 PolarHBondContact O-NH2 3.42Å
77	E	90.7	Very high	95.8	Very high	142 Å²	142	53.7 Å²	53.7	66%	0.664	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-64.2	-30.3	-179.6	-72.4	179.2	177.5	0	0	113.2	Y79 D80	E77-Y79 PolarHBondContact O-N 3.42Å; E77-D80 VanDerWaalsContact O-CB 3.25Å; E77-D80 WeakPolarHBondContact O-CB 3.43Å; E77-D80 PolarHBondContact O-N 2.96Å
78	D	93.3	Very high	95.8	Very high	137 Å²	137	54.7 Å²	54.7	73%	0.733	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-56	-23.9	176.7	-61.5	-35.1	0	0	0	113.1	Q76	Q76-D78 VanDerWaalsContact C-N 3.27Å; Q76-D78 PolarHBondContact O-N 3.29Å
79	Y	93.6	Very high	95.7	Very high	64 Å²	64	63.3 Å²	63.3	25%	0.251	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-101.3	8.4	179.6	-63.1	-88.8	0	0	0	113.6	V51 A74 Q76 E77 R81 L82 R83	V51-Y79 HydrophobicContact CB-CE1 4.24Å; V51-Y79 HydrophobicContact CG1-CD1 4.1Å; V51-Y79 HydrophobicContact CG1-CE1 3.6Å; V51-Y79 HydrophobicContact CG2-CE1 3.98Å; V51-Y79 WeakPolarHBondContact CG2-OH 3.33Å; A74-Y79 HydrophobicContact CB-CD1 4.2Å; A74-Y79 HydrophobicContact CB-CD2 3.66Å; A74-Y79 HydrophobicContact CB-CE2 4.45Å; A74-Y79 HydrophobicContact CB-CG 3.51Å; Q76-Y79 HydrophobicContact CB-CD2 4.11Å; Q76-Y79 PolarHBondContact O-N 2.98Å; E77-Y79 PolarHBondContact O-N 3.42Å; Y79-R81 PolarHBondContact O-N 3.49Å; Y79-R81 VanDerWaalsContact O-N 3.09Å; Y79-L82 HydrophobicContact CD1-CD1 3.92Å; Y79-L82 HydrophobicContact CE1-CD1 4.37Å; Y79-L82 PolarHBondContact O-N 3.4Å; Y79-R83 WeakPolarHBondContact O-CB 3.45Å; Y79-R83 PolarHBondContact O-N 3.44Å
80	D	94.1	Very high	95.7	Very high	54 Å²	54	63.1 Å²	63.1	29%	0.289	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.8	-178.4	-78.7	-6	0	0	0	112.7	E77 R83 P84 K111	E77-D80 VanDerWaalsContact O-CB 3.25Å; E77-D80 WeakPolarHBondContact O-CB 3.43Å; E77-D80 PolarHBondContact O-N 2.96Å; D80-R83 IonicContact OD1-CZ 3.54Å; D80-R83 VanDerWaalsContact OD1-CZ 3.22Å; D80-R83 IonicContact OD1-NH1 2.79Å; D80-R83 PolarHBondContact OD1-NH1 2.91Å; D80-R83 IonicContact OD1-NH2 3.22Å; D80-R83 PolarHBondContact OD1-NH2 2.81Å; D80-P84 WeakPolarHBondContact O-CD 3.46Å; D80-P84 WeakPolarHBondContact O-CG 3.36Å; D80-K111 IonicContact OD1-NZ 3.28Å; D80-K111 PolarHBondContact OD1-NZ 3.32Å; D80-K111 IonicContact OD2-NZ 3.09Å; D80-K111 PolarHBondContact OD2-NZ 3.02Å; D80-K111 VanDerWaalsContact OD2-NZ 3.17Å
81	R	94	Very high	95.7	Very high	234 Å²	234	66 Å²	66	88%	0.883	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-27.6	175.2	-64.8	-175.4	-178.7	176.5	1.6	114.2	Y79	Y79-R81 PolarHBondContact O-N 3.49Å; Y79-R81 VanDerWaalsContact O-N 3.09Å
82	L	94.6	Very high	95.8	Very high	99 Å²	99	62.7 Å²	62.7	52%	0.518	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-36.9	-176.6	-69.3	175.9	0	0	0	111.7	Y79 L85	Y79-L82 HydrophobicContact CD1-CD1 3.92Å; Y79-L82 HydrophobicContact CE1-CD1 4.37Å; Y79-L82 PolarHBondContact O-N 3.4Å; L82-L85 HydrophobicContact CD2-CD1 4.12Å; L82-L85 VanDerWaalsContact O-CB 3.24Å; L82-L85 WeakPolarHBondContact O-CB 3.45Å; L82-L85 WeakPolarHBondContact O-CG 3.19Å; L82-L85 PolarHBondContact O-N 3.23Å
83	R	96.5	Very high	95.8	Very high	7 Å²	7	62.7 Å²	62.7	3%	0.026	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-53.2	-44.1	-177.8	-172.7	-168.6	-47.6	111.3	8.8	113.5	T73 A74 Q76 Y79 D80 L85 S86 Y87 W112 E115	T73-R83 HydrophobicContact CG2-CG 4.27Å; A74-R83 PolarHBondContact O-NE 3.11Å; A74-R83 PolarHBondContact O-NH2 2.82Å; Q76-R83 PolarHBondContact O-NH2 3.42Å; Y79-R83 WeakPolarHBondContact O-CB 3.45Å; Y79-R83 PolarHBondContact O-N 3.44Å; D80-R83 IonicContact OD1-CZ 3.54Å; D80-R83 VanDerWaalsContact OD1-CZ 3.22Å; D80-R83 IonicContact OD1-NH1 2.79Å; D80-R83 PolarHBondContact OD1-NH1 2.91Å; D80-R83 IonicContact OD1-NH2 3.22Å; D80-R83 PolarHBondContact OD1-NH2 2.81Å; R83-L85 PolarHBondContact O-N 3.32Å; R83-S86 WeakPolarHBondContact O-CB 3.27Å; R83-S86 PolarHBondContact O-N 3.21Å; R83-Y87 WeakPolarHBondContact CD-OH 3.23Å; R83-Y87 HydrophobicContact CG-CE1 4.08Å; R83-Y87 WeakPolarHBondContact CG-OH 3.41Å; R83-W112 VanDerWaalsContact CZ-CZ3 3.49Å; R83-E115 IonicContact NH1-OE1 3.17Å; R83-E115 PolarHBondContact NH1-OE1 2.98Å; R83-E115 IonicContact NH1-OE2 2.9Å; R83-E115 PolarHBondContact NH1-OE2 2.92Å; R83-E115 VanDerWaalsContact NH1-OE2 3.09Å
84	P	97.6	Very high	95.9	Very high	24 Å²	24	62.6 Å²	62.6	16%	0.156	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-63.5	-16.4	-179.3	-25	37.1	0	0	0	114.7	D80 S86 Y87 P88	D80-P84 WeakPolarHBondContact O-CD 3.46Å; D80-P84 WeakPolarHBondContact O-CG 3.36Å; P84-S86 PolarHBondContact O-N 2.91Å; P84-Y87 HydrophobicContact CB-CD2 3.92Å; P84-Y87 HydrophobicContact CB-CE2 4.08Å; P84-Y87 HydrophobicContact CG-CE2 4.22Å; P84-Y87 WeakPolarHBondContact O-CB 3.46Å; P84-Y87 PolarHBondContact O-N 3.09Å; P84-P88 WeakPolarHBondContact O-CD 3.22Å
85	L	96.2	Very high	96.1	Very high	128 Å²	128	62.5 Å²	62.5	67%	0.67	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-63.6	-19.5	172.6	-57.6	177.9	0	0	0	112.4	L82 R83 P88	L82-L85 HydrophobicContact CD2-CD1 4.12Å; L82-L85 VanDerWaalsContact O-CB 3.24Å; L82-L85 WeakPolarHBondContact O-CB 3.45Å; L82-L85 WeakPolarHBondContact O-CG 3.19Å; L82-L85 PolarHBondContact O-N 3.23Å; R83-L85 PolarHBondContact O-N 3.32Å; L85-P88 WeakPolarHBondContact O-CD 3.33Å
86	S	96.9	Very high	96.4	Very high	11 Å²	11	62.1 Å²	62.1	8%	0.077	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-81.3	-16	174.2	-61.4	0	0	0	0	113.4	K20 F52 R83 P84	K20-S86 WeakPolarHBondContact CE-O 3.4Å; K20-S86 PolarHBondContact NZ-O 2.79Å; F52-S86 WeakPolarHBondContact CE2-OG 3.26Å; R83-S86 WeakPolarHBondContact O-CB 3.27Å; R83-S86 PolarHBondContact O-N 3.21Å; P84-S86 PolarHBondContact O-N 2.91Å
87	Y	98.4	Very high	96.7	Very high	3 Å²	3	58.7 Å²	58.7	1%	0.012	29%	0.287	C	S	.	.			trans	-79.1	-28.9	-169.9	-61.4	-10.1	0	0	0	116.7	V22 V24 R83 P84 Q89 T90 F93 E115 L116 H119	V22-Y87 HydrophobicContact CG1-CD1 4.14Å; V22-Y87 HydrophobicContact CG1-CE1 4.08Å; V24-Y87 HydrophobicContact CG1-CE1 3.82Å; R83-Y87 WeakPolarHBondContact CD-OH 3.23Å; R83-Y87 HydrophobicContact CG-CE1 4.08Å; R83-Y87 WeakPolarHBondContact CG-OH 3.41Å; P84-Y87 HydrophobicContact CB-CD2 3.92Å; P84-Y87 HydrophobicContact CB-CE2 4.08Å; P84-Y87 HydrophobicContact CG-CE2 4.22Å; P84-Y87 WeakPolarHBondContact O-CB 3.46Å; P84-Y87 PolarHBondContact O-N 3.09Å; Y87-Q89 PolarHBondContact O-N 2.87Å; Y87-T90 VanDerWaalsContact O-CB 3.31Å; Y87-T90 WeakPolarHBondContact O-CB 3.25Å; Y87-T90 PolarHBondContact O-N 2.94Å; Y87-T90 VanDerWaalsContact O-N 3.15Å; Y87-T90 PolarHBondContact O-OG1 2.91Å; Y87-F93 AromaticContact CD1-CE1 3.62Å; Y87-F93 HydrophobicContact CD1-CE1 3.62Å; Y87-F93 AromaticContact CD1-CZ 3.96Å; Y87-F93 HydrophobicContact CD1-CZ 3.96Å; Y87-F93 AromaticContact CE1-CE1 3.86Å; Y87-F93 HydrophobicContact CE1-CE1 3.86Å; Y87-F93 HydrophobicContact CG-CE1 4.14Å; Y87-F93 HydrophobicContact CG-CZ 4.01Å; Y87-E115 HydrophobicContact CE2-CG 4.22Å; Y87-E115 WeakPolarHBondContact CE2-OE1 3.29Å; Y87-E115 PolarHBondContact OH-OE1 2.82Å; Y87-L116 HydrophobicContact CE1-CD2 4.38Å; Y87-L116 HydrophobicContact CE2-CD2 4.14Å; Y87-H119 HydrophobicContact CD2-CB 3.76Å; Y87-H119 AromaticContact CD2-CD2 3.81Å; Y87-H119 AromaticContact CD2-CG 3.84Å; Y87-H119 AromaticContact CE2-CD2 3.94Å
88	P	97.8	Very high	97.1	Very high	78 Å²	78	52.1 Å²	52.1	51%	0.506	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	136.5	178.2	-29.3	36.1	0	0	0	112.4	K20 P84 L85 T90	K20-P88 PolarHBondContact NZ-O 2.95Å; P84-P88 WeakPolarHBondContact O-CD 3.22Å; L85-P88 WeakPolarHBondContact O-CD 3.33Å; P88-T90 PolarHBondContact O-N 2.93Å
89	Q	96.4	Very high	97.3	Very high	180 Å²	180	45.6 Å²	45.6	84%	0.841	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	25.8	178.7	-53.9	173.3	-45.4	0	0	114.3	Y87 D91	Y87-Q89 PolarHBondContact O-N 2.87Å; Q89-D91 PolarHBondContact O-N 2.78Å
90	T	98.5	Very high	97.6	Very high	9 Å²	9	43.6 Å²	43.6	6%	0.055	22%	0.216	C	C	.	.			trans	-72.6	124.8	174	-59.9	0	0	0	0	110.4	V22 Y87 P88 V92 F93 T123	V22-T90 HydrophobicContact CB-CG2 3.98Å; V22-T90 HydrophobicContact CG2-CG2 3.64Å; V22-T90 WeakPolarHBondContact CG2-OG1 3.41Å; Y87-T90 VanDerWaalsContact O-CB 3.31Å; Y87-T90 WeakPolarHBondContact O-CB 3.25Å; Y87-T90 PolarHBondContact O-N 2.94Å; Y87-T90 VanDerWaalsContact O-N 3.15Å; Y87-T90 PolarHBondContact O-OG1 2.91Å; P88-T90 PolarHBondContact O-N 2.93Å; T90-V92 VanDerWaalsContact CG2-O 3.25Å; T90-V92 WeakPolarHBondContact CG2-O 2.91Å; T90-F93 HydrophobicContact CG2-CD1 4.12Å; T90-F93 HydrophobicContact CG2-CD2 3.9Å; T90-F93 HydrophobicContact CG2-CE1 3.89Å; T90-F93 HydrophobicContact CG2-CE2 3.64Å; T90-F93 HydrophobicContact CG2-CG 4.12Å; T90-F93 HydrophobicContact CG2-CZ 3.64Å; T90-T123 HydrophobicContact CG2-CG2 4.25Å; T90-T123 WeakPolarHBondContact O-CG2 3.45Å
91	D	98.5	Very high	97.8	Very high	61 Å²	61	43 Å²	43	33%	0.326	22%	0.216	S	C	.	.	S	Bend	trans	-81.9	-33.6	178	-64.3	-64.2	0	0	0	111.9	I19 K20 Q89 P124 V191	I19-D91 WeakPolarHBondContact CA-OD2 3.33Å; I19-D91 HydrophobicContact CG2-CB 3.97Å; K20-D91 PolarHBondContact N-OD2 2.91Å; K20-D91 WeakPolarHBondContact O-CB 3.43Å; K20-D91 PolarHBondContact O-N 2.98Å; Q89-D91 PolarHBondContact O-N 2.78Å; D91-P124 VanDerWaalsContact O-CD 3.28Å; D91-P124 WeakPolarHBondContact O-CD 3.25Å; D91-P124 VanDerWaalsContact O-CG 3.26Å; D91-P124 WeakPolarHBondContact O-CG 3.37Å; D91-V191 HydrophobicContact CB-CG1 4.03Å; D91-V191 HydrophobicContact CB-CG2 3.78Å; D91-V191 WeakPolarHBondContact O-CG2 3.24Å
92	V	98.8	Very high	98	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	141.6	179.3	60.1	0	0	0	0	111.7	I19 K20 C21 V22 T90 P124 L126 A187 A190 V191	I19-V92 HydrophobicContact CG2-CG1 4.26Å; K20-V92 PolarHBondContact O-N 2.84Å; C21-V92 VanDerWaalsContact CA-O 3.27Å; C21-V92 WeakPolarHBondContact CA-O 3.32Å; C21-V92 HydrophobicContact CB-CG1 3.82Å; V22-V92 PolarHBondContact N-O 3.01Å; V22-V92 VanDerWaalsContact N-O 3.09Å; T90-V92 VanDerWaalsContact CG2-O 3.25Å; T90-V92 WeakPolarHBondContact CG2-O 2.91Å; V92-P124 HydrophobicContact CB-CG 4.17Å; V92-P124 HydrophobicContact CG2-CB 4.48Å; V92-P124 HydrophobicContact CG2-CG 4.2Å; V92-L126 HydrophobicContact CG2-CD1 3.66Å; V92-A187 HydrophobicContact CG1-CB 4.1Å; V92-A187 HydrophobicContact CG2-CB 4.24Å; V92-A190 HydrophobicContact CG2-CB 4.28Å; V92-V191 HydrophobicContact CB-CG2 3.7Å; V92-V191 HydrophobicContact CG1-CG2 3.86Å
93	F	98.9	Very high	98.2	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	141.7	170.2	-72.1	-83	0	0	0	111.5	V22 V24 Y87 T90 L116 C120 T123 P124 I125 L126	V22-F93 HydrophobicContact CB-CD1 3.74Å; V22-F93 HydrophobicContact CB-CE1 3.66Å; V22-F93 HydrophobicContact CG1-CD1 4.14Å; V22-F93 HydrophobicContact CG1-CE1 3.89Å; V22-F93 HydrophobicContact CG2-CE1 4.28Å; V22-F93 WeakPolarHBondContact O-CA 3.24Å; V24-F93 HydrophobicContact CG1-CD1 4.45Å; Y87-F93 AromaticContact CD1-CE1 3.62Å; Y87-F93 HydrophobicContact CD1-CE1 3.62Å; Y87-F93 AromaticContact CD1-CZ 3.96Å; Y87-F93 HydrophobicContact CD1-CZ 3.96Å; Y87-F93 AromaticContact CE1-CE1 3.86Å; Y87-F93 HydrophobicContact CE1-CE1 3.86Å; Y87-F93 HydrophobicContact CG-CE1 4.14Å; Y87-F93 HydrophobicContact CG-CZ 4.01Å; T90-F93 HydrophobicContact CG2-CD1 4.12Å; T90-F93 HydrophobicContact CG2-CD2 3.9Å; T90-F93 HydrophobicContact CG2-CE1 3.89Å; T90-F93 HydrophobicContact CG2-CE2 3.64Å; T90-F93 HydrophobicContact CG2-CG 4.12Å; T90-F93 HydrophobicContact CG2-CZ 3.64Å; F93-L116 HydrophobicContact CB-CD1 4.09Å; F93-L116 HydrophobicContact CD1-CD1 4.31Å; F93-L116 HydrophobicContact CD1-CD2 3.56Å; F93-L116 HydrophobicContact CD2-CD2 4.34Å; F93-L116 HydrophobicContact CE1-CD2 3.51Å; F93-L116 HydrophobicContact CE2-CD2 4.31Å; F93-L116 HydrophobicContact CG-CD1 4.1Å; F93-L116 HydrophobicContact CG-CD2 3.99Å; F93-L116 HydrophobicContact CZ-CD2 3.91Å; F93-C120 HydrophobicContact CE2-CB 3.64Å; F93-C120 HydrophobicContact CZ-CB 4.23Å; F93-T123 HydrophobicContact CD2-CG2 3.53Å; F93-T123 HydrophobicContact CE2-CG2 3.71Å; F93-P124 PolarHBondContact N-O 3.23Å; F93-I125 HydrophobicContact CB-CG1 4.13Å; F93-I125 HydrophobicContact CB-CG2 4.39Å; F93-I125 HydrophobicContact CD2-CG1 4.48Å; F93-I125 WeakPolarHBondContact O-CA 3.3Å; F93-L126 PolarHBondContact O-N 3.43Å
94	I	98.9	Very high	98.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	111.3	159.6	-64	168.8	0	0	0	107.3	C21 V22 V23 V24 M34 V128 V183 F184 A187	C21-I94 VanDerWaalsContact SG-CD1 3.51Å; V22-I94 PolarHBondContact O-N 3.03Å; V23-I94 WeakPolarHBondContact CA-O 3.43Å; V23-I94 HydrophobicContact CG1-CB 4.3Å; V23-I94 HydrophobicContact CG1-CG2 4.27Å; V23-I94 HydrophobicContact CG2-CB 4.25Å; V23-I94 HydrophobicContact CG2-CD1 4.4Å; V24-I94 PolarHBondContact N-O 2.93Å; M34-I94 HydrophobicContact CE-CG2 4.02Å; I94-V128 HydrophobicContact CG2-CB 4.03Å; I94-V128 HydrophobicContact CG2-CG2 3.6Å; I94-V183 HydrophobicContact CD1-CG1 3.82Å; I94-V183 HydrophobicContact CG1-CG1 4.45Å; I94-V183 HydrophobicContact CG2-CG1 4.42Å; I94-F184 HydrophobicContact CD1-CD1 4.1Å; I94-F184 HydrophobicContact CD1-CE1 3.99Å; I94-A187 HydrophobicContact CD1-CB 4.22Å; I94-A187 HydrophobicContact CG1-CB 4.34Å
95	L	98.9	Very high	98.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	107.6	175.6	174.5	50	0	0	0	109.3	V24 V108 W112 L116 I125 L126 L127 V128	V24-L95 HydrophobicContact CG2-CB 4.32Å; V24-L95 HydrophobicContact CG2-CD1 3.88Å; L95-V108 HydrophobicContact CD2-CG1 3.81Å; L95-V108 HydrophobicContact CG-CG1 4.46Å; L95-W112 HydrophobicContact CD1-CB 3.41Å; L95-W112 VanDerWaalsContact CD1-CB 3.41Å; L95-W112 HydrophobicContact CD1-CD2 4.41Å; L95-W112 HydrophobicContact CD1-CG 3.76Å; L95-W112 HydrophobicContact CD2-CB 3.99Å; L95-W112 HydrophobicContact CG-CB 4.36Å; L95-L116 HydrophobicContact CB-CD1 4.38Å; L95-L116 HydrophobicContact CD2-CD1 4.27Å; L95-I125 HydrophobicContact CB-CG2 3.79Å; L95-I125 HydrophobicContact CD2-CG2 4.44Å; L95-L126 PolarHBondContact N-O 3.17Å; L95-L127 HydrophobicContact CG-CD1 4.19Å; L95-V128 PolarHBondContact O-N 3.34Å
96	C	99	Very high	98.5	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	142.7	-178	-66.3	0	0	0	0	112.5	V24 G25 V29 K31 V128 T130	V24-C96 PolarHBondContact O-N 3.46Å; G25-C96 WeakPolarHBondContact CA-O 3.19Å; V29-C96 HydrophobicContact CG2-CB 3.74Å; K31-C96 HydrophobicContact CG-CB 3.97Å; C96-V128 WeakPolarHBondContact CA-O 3.25Å; C96-T130 HydrophobicContact CB-CG2 4.09Å
97	F	98.9	Very high	98.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.7	158.9	71.6	-81.8	0	0	0	108.3	L99 S104 F105 V108 L127 V128 G129 T130 I152 Y169	F97-L99 HydrophobicContact CE2-CD2 3.77Å; F97-L99 HydrophobicContact CZ-CD2 3.93Å; F97-S104 WeakPolarHBondContact CB-O 3.36Å; F97-F105 HydrophobicContact CD1-CD2 4.08Å; F97-F105 HydrophobicContact CD2-CB 3.73Å; F97-F105 AromaticContact CD2-CD2 3.66Å; F97-F105 HydrophobicContact CD2-CD2 3.66Å; F97-F105 HydrophobicContact CD2-CG 4.17Å; F97-F105 AromaticContact CE1-CD2 3.89Å; F97-F105 HydrophobicContact CE1-CD2 3.89Å; F97-F105 HydrophobicContact CE1-CE2 4.22Å; F97-F105 HydrophobicContact CE2-CB 4.17Å; F97-F105 AromaticContact CE2-CD2 3.45Å; F97-F105 HydrophobicContact CE2-CD2 3.45Å; F97-F105 VanDerWaalsContact CE2-CD2 3.45Å; F97-F105 HydrophobicContact CE2-CE2 4.21Å; F97-F105 HydrophobicContact CE2-CG 4.18Å; F97-F105 HydrophobicContact CG-CB 4.26Å; F97-F105 AromaticContact CG-CD2 3.96Å; F97-F105 HydrophobicContact CG-CD2 3.96Å; F97-F105 AromaticContact CZ-CD2 3.57Å; F97-F105 HydrophobicContact CZ-CD2 3.57Å; F97-F105 AromaticContact CZ-CE2 3.93Å; F97-F105 HydrophobicContact CZ-CE2 3.93Å; F97-V108 HydrophobicContact CB-CG2 3.98Å; F97-V108 HydrophobicContact CD1-CG2 4.16Å; F97-V108 HydrophobicContact CG-CG2 4.3Å; F97-L127 HydrophobicContact CD1-CD1 3.68Å; F97-L127 HydrophobicContact CD1-CG 4.2Å; F97-L127 HydrophobicContact CE1-CD1 3.88Å; F97-L127 HydrophobicContact CE1-CD2 4.26Å; F97-L127 HydrophobicContact CE1-CG 3.86Å; F97-V128 PolarHBondContact N-O 3.18Å; F97-G129 CarbonylContact O-C 3.59Å; F97-G129 WeakPolarHBondContact O-CA 3.37Å; F97-T130 PolarHBondContact O-N 3.11Å; F97-T130 PolarHBondContact O-OG1 3.25Å; F97-I152 HydrophobicContact CD2-CG1 4.46Å; F97-I152 HydrophobicContact CE2-CB 3.9Å; F97-I152 HydrophobicContact CE2-CG1 3.98Å; F97-I152 HydrophobicContact CE2-CG2 3.78Å; F97-I152 HydrophobicContact CZ-CG2 4.11Å; F97-Y169 AromaticContact CE1-CE2 3.81Å; F97-Y169 HydrophobicContact CE1-CE2 3.81Å; F97-Y169 AromaticContact CZ-CE2 3.85Å; F97-Y169 HydrophobicContact CZ-CE2 3.85Å
98	S	98.9	Very high	98.6	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129.8	177	164.3	0	0	0	0	110.4	V100 S101 S104 T130	S98-V100 PolarHBondContact O-N 2.84Å; S98-V100 WeakPolarHBondContact OG-CG2 3.23Å; S98-V100 PolarHBondContact OG-N 2.76Å; S98-S101 PolarHBondContact O-N 3.32Å; S98-S104 PolarHBondContact N-OG 2.67Å; S98-T130 WeakPolarHBondContact CA-OG1 3.4Å
99	L	98.9	Very high	98.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.7	177.4	-71	174.1	0	0	0	113.1	F97 T130 L132 P151 I152 E171	F97-L99 HydrophobicContact CE2-CD2 3.77Å; F97-L99 HydrophobicContact CZ-CD2 3.93Å; L99-T130 WeakPolarHBondContact CB-O 3.43Å; L99-T130 WeakPolarHBondContact CG-O 3.34Å; L99-T130 PolarHBondContact N-O 3.15Å; L99-L132 HydrophobicContact CD1-CB 3.93Å; L99-L132 HydrophobicContact CD1-CD1 3.72Å; L99-L132 HydrophobicContact CD1-CG 4.45Å; L99-P151 CarbonylContact O-C 3.42Å; L99-P151 VanDerWaalsContact O-CA 3.25Å; L99-P151 WeakPolarHBondContact O-CA 3.21Å; L99-I152 HydrophobicContact CD2-CB 4.19Å; L99-I152 PolarHBondContact O-N 3.01Å; L99-E171 HydrophobicContact CD1-CB 4.16Å; L99-E171 HydrophobicContact CD1-CG 4.19Å; L99-E171 HydrophobicContact CD2-CG 4.28Å
100	V	98.7	Very high	98.8	Very high	22 Å²	22	25.9 Å²	25.9	13%	0.133	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	18.8	178.7	-59.3	0	0	0	0	113	S98 K131 L134 T140 L144 P151	S98-V100 PolarHBondContact O-N 2.84Å; S98-V100 WeakPolarHBondContact OG-CG2 3.23Å; S98-V100 PolarHBondContact OG-N 2.76Å; V100-K131 HydrophobicContact CG2-CB 4.43Å; V100-K131 HydrophobicContact CG2-CD 4.31Å; V100-L134 HydrophobicContact CB-CB 4.48Å; V100-L134 HydrophobicContact CG1-CB 3.71Å; V100-L134 HydrophobicContact CG2-CB 4.05Å; V100-L134 HydrophobicContact CG2-CD1 3.89Å; V100-T140 HydrophobicContact CB-CG2 3.7Å; V100-T140 HydrophobicContact CG1-CG2 3.64Å; V100-T140 HydrophobicContact CG2-CG2 4.2Å; V100-L144 HydrophobicContact CB-CD1 4.16Å; V100-L144 HydrophobicContact CG1-CD1 4.45Å; V100-P151 HydrophobicContact CG1-CB 4.38Å; V100-P151 HydrophobicContact CG1-CG 4.47Å
101	S	98.6	Very high	98.8	Very high	42 Å²	42	27.1 Å²	27.1	29%	0.294	16%	0.159	S	C	.	.			trans	-132.7	91.3	169.6	177.2	0	0	0	0	109.8	S98 V103 S104 F105	S98-S101 PolarHBondContact O-N 3.32Å; S101-V103 PolarHBondContact O-N 3.3Å; S101-S104 PolarHBondContact O-N 3.22Å; S101-S104 PolarHBondContact O-OG 3.01Å; S101-F105 PolarHBondContact O-N 3.4Å
102	P	98.6	Very high	98.8	Very high	18 Å²	18	24.2 Å²	24.2	12%	0.117	14%	0.144	C	C	.	.	H	α-helix	trans	-56	-35.4	179.2	-29.3	37.7	0	0	0	114.1	S104 F105 D106 L149 I152	P102-S104 VanDerWaalsContact C-N 3.29Å; P102-S104 PolarHBondContact O-N 3.4Å; P102-F105 WeakPolarHBondContact O-CA 3.42Å; P102-F105 VanDerWaalsContact O-CB 3.3Å; P102-F105 WeakPolarHBondContact O-CB 3.48Å; P102-F105 PolarHBondContact O-N 3.19Å; P102-D106 PolarHBondContact O-N 2.61Å; P102-L149 HydrophobicContact CG-CB 4.3Å; P102-L149 HydrophobicContact CG-CD1 4.31Å; P102-L149 HydrophobicContact CG-CD2 4.42Å; P102-I152 HydrophobicContact CB-CD1 4.21Å; P102-I152 HydrophobicContact CG-CD1 4.45Å
103	V	98.5	Very high	98.8	Very high	87 Å²	87	26.8 Å²	26.8	53%	0.527	15%	0.154	S	C	.	.	H	α-helix	trans	-57.9	-42.7	175.1	177.1	0	0	0	0	111.5	S101 F105 D106 N107	S101-V103 PolarHBondContact O-N 3.3Å; V103-F105 PolarHBondContact O-N 2.8Å; V103-D106 PolarHBondContact O-N 2.86Å; V103-N107 WeakPolarHBondContact O-CB 3.38Å; V103-N107 PolarHBondContact O-N 3.37Å
104	S	98.9	Very high	98.8	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-26.4	177.5	73.9	0	0	0	0	113.3	D26 F97 S98 S101 P102 V108	D26-S104 VanDerWaalsContact OD2-CA 3.26Å; D26-S104 WeakPolarHBondContact OD2-CA 3.3Å; D26-S104 WeakPolarHBondContact OD2-CB 3.28Å; F97-S104 WeakPolarHBondContact CB-O 3.36Å; S98-S104 PolarHBondContact N-OG 2.67Å; S101-S104 PolarHBondContact O-N 3.22Å; S101-S104 PolarHBondContact O-OG 3.01Å; P102-S104 VanDerWaalsContact C-N 3.29Å; P102-S104 PolarHBondContact O-N 3.4Å; S104-V108 PolarHBondContact O-N 3.08Å
105	F	98.9	Very high	98.8	Very high	21 Å²	21	31.1 Å²	31.1	9%	0.092	18%	0.179	C	C	.	.	H	α-helix	trans	-75.2	-40.7	173.6	-178.5	-105.6	0	0	0	111.9	F97 S101 P102 V103 N107 V108 I152 Q156 L160	F97-F105 HydrophobicContact CD1-CD2 4.08Å; F97-F105 HydrophobicContact CD2-CB 3.73Å; F97-F105 AromaticContact CD2-CD2 3.66Å; F97-F105 HydrophobicContact CD2-CD2 3.66Å; F97-F105 HydrophobicContact CD2-CG 4.17Å; F97-F105 AromaticContact CE1-CD2 3.89Å; F97-F105 HydrophobicContact CE1-CD2 3.89Å; F97-F105 HydrophobicContact CE1-CE2 4.22Å; F97-F105 HydrophobicContact CE2-CB 4.17Å; F97-F105 AromaticContact CE2-CD2 3.45Å; F97-F105 HydrophobicContact CE2-CD2 3.45Å; F97-F105 VanDerWaalsContact CE2-CD2 3.45Å; F97-F105 HydrophobicContact CE2-CE2 4.21Å; F97-F105 HydrophobicContact CE2-CG 4.18Å; F97-F105 HydrophobicContact CG-CB 4.26Å; F97-F105 AromaticContact CG-CD2 3.96Å; F97-F105 HydrophobicContact CG-CD2 3.96Å; F97-F105 AromaticContact CZ-CD2 3.57Å; F97-F105 HydrophobicContact CZ-CD2 3.57Å; F97-F105 AromaticContact CZ-CE2 3.93Å; F97-F105 HydrophobicContact CZ-CE2 3.93Å; S101-F105 PolarHBondContact O-N 3.4Å; P102-F105 WeakPolarHBondContact O-CA 3.42Å; P102-F105 VanDerWaalsContact O-CB 3.3Å; P102-F105 WeakPolarHBondContact O-CB 3.48Å; P102-F105 PolarHBondContact O-N 3.19Å; V103-F105 PolarHBondContact O-N 2.8Å; F105-N107 VanDerWaalsContact C-N 3.28Å; F105-N107 PolarHBondContact O-N 3.47Å; F105-V108 WeakPolarHBondContact O-CB 3.17Å; F105-V108 WeakPolarHBondContact O-CG2 3.49Å; F105-V108 PolarHBondContact O-N 3.49Å; F105-I152 HydrophobicContact CB-CD1 3.9Å; F105-I152 HydrophobicContact CB-CG1 3.86Å; F105-I152 HydrophobicContact CD1-CD1 3.82Å; F105-I152 HydrophobicContact CD1-CG1 4.41Å; F105-I152 HydrophobicContact CD2-CG1 4.42Å; F105-I152 HydrophobicContact CD2-CG2 4Å; F105-I152 HydrophobicContact CE2-CG2 4.01Å; F105-I152 HydrophobicContact CG-CD1 3.88Å; F105-I152 HydrophobicContact CG-CG1 3.99Å; F105-I152 HydrophobicContact CG-CG2 4.25Å; F105-I152 HydrophobicContact CZ-CG2 4.28Å; F105-Q156 HydrophobicContact CE1-CB 4.45Å; F105-Q156 HydrophobicContact CZ-CB 4.2Å; F105-L160 HydrophobicContact CD2-CD2 4.07Å; F105-L160 HydrophobicContact CE1-CD2 4.12Å; F105-L160 HydrophobicContact CE2-CB 4.12Å; F105-L160 HydrophobicContact CE2-CD2 3.43Å; F105-L160 VanDerWaalsContact CE2-CD2 3.43Å; F105-L160 HydrophobicContact CE2-CG 4.41Å; F105-L160 HydrophobicContact CZ-CB 3.74Å; F105-L160 HydrophobicContact CZ-CD2 3.47Å; F105-L160 VanDerWaalsContact CZ-CD2 3.47Å; F105-L160 HydrophobicContact CZ-CG 4.21Å
106	D	98.8	Very high	98.8	Very high	101 Å²	101	31.1 Å²	31.1	54%	0.54	18%	0.179	S	C	.	.	H	α-helix	trans	-62.8	-39.7	174.4	-67.2	-27.1	0	0	0	111	P102 V103 V108 T109 S110	P102-D106 PolarHBondContact O-N 2.61Å; V103-D106 PolarHBondContact O-N 2.86Å; D106-V108 PolarHBondContact O-N 2.92Å; D106-T109 PolarHBondContact O-N 2.87Å; D106-S110 PolarHBondContact O-N 3.49Å; D106-S110 VanDerWaalsContact O-N 3.15Å; D106-S110 PolarHBondContact O-OG 3.44Å
107	N	98.9	Very high	98.7	Very high	41 Å²	41	33.6 Å²	33.6	22%	0.219	19%	0.188	C	C	.	.	H	α-helix	trans	-62.1	-21.3	176.5	-73.8	-15.6	0	0	0	114.2	D26 V103 F105 T109 S110 K111 W112	D26-N107 PolarHBondContact OD1-ND2 2.98Å; D26-N107 PolarHBondContact OD2-ND2 3.43Å; V103-N107 WeakPolarHBondContact O-CB 3.38Å; V103-N107 PolarHBondContact O-N 3.37Å; F105-N107 VanDerWaalsContact C-N 3.28Å; F105-N107 PolarHBondContact O-N 3.47Å; N107-T109 PolarHBondContact O-N 3.29Å; N107-S110 WeakPolarHBondContact CA-OG 3.45Å; N107-S110 PolarHBondContact OD1-OG 3.45Å; N107-K111 PolarHBondContact O-N 2.99Å; N107-W112 VanDerWaalsContact O-CD1 3.27Å; N107-W112 PolarHBondContact O-N 3.45Å
108	V	98.9	Very high	98.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.221	C	C	.	.	I	π-helix	trans	-55.1	-44.4	169.3	173.5	0	0	0	0	110	L95 F97 S104 F105 D106 Y113 L127 L160 L164	L95-V108 HydrophobicContact CD2-CG1 3.81Å; L95-V108 HydrophobicContact CG-CG1 4.46Å; F97-V108 HydrophobicContact CB-CG2 3.98Å; F97-V108 HydrophobicContact CD1-CG2 4.16Å; F97-V108 HydrophobicContact CG-CG2 4.3Å; S104-V108 PolarHBondContact O-N 3.08Å; F105-V108 WeakPolarHBondContact O-CB 3.17Å; F105-V108 WeakPolarHBondContact O-CG2 3.49Å; F105-V108 PolarHBondContact O-N 3.49Å; D106-V108 PolarHBondContact O-N 2.92Å; V108-Y113 WeakPolarHBondContact O-CB 3.45Å; V108-Y113 PolarHBondContact O-N 2.7Å; V108-L127 HydrophobicContact CB-CD1 4.49Å; V108-L127 HydrophobicContact CG1-CD1 3.76Å; V108-L127 HydrophobicContact CG2-CD1 3.85Å; V108-L160 HydrophobicContact CB-CD2 4.01Å; V108-L160 HydrophobicContact CG1-CD2 3.72Å; V108-L164 HydrophobicContact CG1-CD1 4.12Å
109	T	98.9	Very high	98.7	Very high	54 Å²	54	44.5 Å²	44.5	33%	0.331	24%	0.239	S	C	.	.	I	π-helix	trans	-87	-41.6	-176	-53.6	0	0	0	0	112.3	D106 N107 P114 L160	D106-T109 PolarHBondContact O-N 2.87Å; N107-T109 PolarHBondContact O-N 3.29Å; T109-P114 WeakPolarHBondContact O-CD 3.02Å; T109-P114 VanDerWaalsContact O-CG 3.28Å; T109-P114 WeakPolarHBondContact O-CG 3.46Å; T109-L160 WeakPolarHBondContact OG1-CD1 3.48Å
110	S	98.6	Very high	98.6	Very high	81 Å²	81	45.3 Å²	45.3	57%	0.566	24%	0.244	S	C	*	.	I	π-helix	trans	-78.4	-29.9	-173.6	59.5	0	0	0	0	113.4	D106 N107	D106-S110 PolarHBondContact O-N 3.49Å; D106-S110 VanDerWaalsContact O-N 3.15Å; D106-S110 PolarHBondContact O-OG 3.44Å; N107-S110 WeakPolarHBondContact CA-OG 3.45Å; N107-S110 PolarHBondContact OD1-OG 3.45Å
111	K	98.5	Very high	98.5	Very high	36 Å²	36	47.7 Å²	47.7	16%	0.157	26%	0.26	C	S	.	.	I	π-helix	trans	-122.5	-65.6	-173.6	178.1	177.4	178.6	164.4	0	113.1	D80 N107 P114 E115	D80-K111 IonicContact OD1-NZ 3.28Å; D80-K111 PolarHBondContact OD1-NZ 3.32Å; D80-K111 IonicContact OD2-NZ 3.09Å; D80-K111 PolarHBondContact OD2-NZ 3.02Å; D80-K111 VanDerWaalsContact OD2-NZ 3.17Å; N107-K111 PolarHBondContact O-N 2.99Å; K111-P114 WeakPolarHBondContact O-CD 3.49Å; K111-E115 WeakPolarHBondContact O-CB 3.21Å; K111-E115 PolarHBondContact O-N 3.38Å; K111-E115 VanDerWaalsContact O-N 3.11Å
112	W	98.8	Very high	98.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.283	C	S	.	.	I	π-helix	trans	-71.3	-46.1	-162.5	-66	106.4	0	0	0	113.6	V24 G25 D26 R83 L95 N107 E115 L116	V24-W112 HydrophobicContact CB-CE3 4.04Å; V24-W112 HydrophobicContact CB-CZ3 4.08Å; V24-W112 HydrophobicContact CG2-CE3 4.41Å; G25-W112 VanDerWaalsContact CA-CE2 3.45Å; G25-W112 WeakPolarHBondContact O-CH2 3.25Å; G25-W112 WeakPolarHBondContact O-CZ2 3.37Å; D26-W112 PolarHBondContact OD1-NE1 3.43Å; R83-W112 VanDerWaalsContact CZ-CZ3 3.49Å; L95-W112 HydrophobicContact CD1-CB 3.41Å; L95-W112 VanDerWaalsContact CD1-CB 3.41Å; L95-W112 HydrophobicContact CD1-CD2 4.41Å; L95-W112 HydrophobicContact CD1-CG 3.76Å; L95-W112 HydrophobicContact CD2-CB 3.99Å; L95-W112 HydrophobicContact CG-CB 4.36Å; N107-W112 VanDerWaalsContact O-CD1 3.27Å; N107-W112 PolarHBondContact O-N 3.45Å; W112-E115 PolarHBondContact O-N 3.12Å; W112-L116 WeakPolarHBondContact O-CG 3.2Å; W112-L116 PolarHBondContact O-N 2.74Å
113	Y	98.8	Very high	98.3	Very high	54 Å²	54	53 Å²	53	21%	0.212	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-47.4	178.1	173.5	-96.1	0	0	0	112.5	V108 E115 L116 R117 I125 L164 L166	V108-Y113 WeakPolarHBondContact O-CB 3.45Å; V108-Y113 PolarHBondContact O-N 2.7Å; Y113-E115 VanDerWaalsContact C-N 3.35Å; Y113-E115 PolarHBondContact O-N 3.28Å; Y113-L116 PolarHBondContact O-N 2.73Å; Y113-R117 HydrophobicContact CD1-CG 4.45Å; Y113-R117 HydrophobicContact CD2-CG 4.06Å; Y113-R117 HydrophobicContact CE1-CG 4Å; Y113-R117 HydrophobicContact CE2-CG 3.59Å; Y113-R117 HydrophobicContact CG-CG 4.47Å; Y113-R117 WeakPolarHBondContact O-CB 3.34Å; Y113-R117 WeakPolarHBondContact O-CG 3.47Å; Y113-R117 PolarHBondContact O-N 3.17Å; Y113-I125 HydrophobicContact CD2-CD1 4.28Å; Y113-I125 HydrophobicContact CE2-CD1 4.48Å; Y113-L164 HydrophobicContact CD1-CD1 4.35Å; Y113-L164 HydrophobicContact CD1-CD2 3.97Å; Y113-L164 HydrophobicContact CD2-CB 4.22Å; Y113-L164 HydrophobicContact CD2-CD1 4.05Å; Y113-L164 HydrophobicContact CE1-CD2 3.95Å; Y113-L164 HydrophobicContact CE2-CB 3.97Å; Y113-L164 HydrophobicContact CG-CD1 3.9Å; Y113-L164 HydrophobicContact CG-CD2 4.35Å; Y113-L164 PolarHBondContact OH-O 2.97Å; Y113-L166 HydrophobicContact CD2-CD2 3.76Å; Y113-L166 HydrophobicContact CE2-CD2 3.63Å
114	P	98.7	Very high	98.3	Very high	61 Å²	61	50.6 Å²	50.6	40%	0.396	27%	0.271	S	S	.	.	H	α-helix	trans	-54.5	-45.5	171.8	-28.1	34.7	0	0	0	113.8	T109 K111 R117 H118	T109-P114 WeakPolarHBondContact O-CD 3.02Å; T109-P114 VanDerWaalsContact O-CG 3.28Å; T109-P114 WeakPolarHBondContact O-CG 3.46Å; K111-P114 WeakPolarHBondContact O-CD 3.49Å; P114-R117 PolarHBondContact O-N 2.91Å; P114-H118 WeakPolarHBondContact O-CB 3.33Å; P114-H118 PolarHBondContact O-N 2.89Å
115	E	98.5	Very high	98.3	Very high	30 Å²	30	50.5 Å²	50.5	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-60	-50.6	178.5	-173.7	-175.8	122.4	0	0	111.5	R83 Y87 K111 W112 Y113 R117 H118 H119	R83-E115 IonicContact NH1-OE1 3.17Å; R83-E115 PolarHBondContact NH1-OE1 2.98Å; R83-E115 IonicContact NH1-OE2 2.9Å; R83-E115 PolarHBondContact NH1-OE2 2.92Å; R83-E115 VanDerWaalsContact NH1-OE2 3.09Å; Y87-E115 HydrophobicContact CE2-CG 4.22Å; Y87-E115 WeakPolarHBondContact CE2-OE1 3.29Å; Y87-E115 PolarHBondContact OH-OE1 2.82Å; K111-E115 WeakPolarHBondContact O-CB 3.21Å; K111-E115 PolarHBondContact O-N 3.38Å; K111-E115 VanDerWaalsContact O-N 3.11Å; W112-E115 PolarHBondContact O-N 3.12Å; Y113-E115 VanDerWaalsContact C-N 3.35Å; Y113-E115 PolarHBondContact O-N 3.28Å; E115-R117 PolarHBondContact O-N 2.71Å; E115-H118 WeakPolarHBondContact O-CB 3.28Å; E115-H118 PolarHBondContact O-N 2.81Å; E115-H119 PolarHBondContact O-CD2 2.87Å; E115-H119 VanDerWaalsContact O-CD2 3.32Å; E115-H119 PolarHBondContact O-N 3.46Å
116	L	98.8	Very high	98.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-42.6	179.7	-66.9	-176.7	0	0	0	112	V24 Y87 F93 L95 W112 Y113 H118 H119 C120 I125	V24-L116 HydrophobicContact CG1-CD2 4.37Å; V24-L116 HydrophobicContact CG2-CD1 3.79Å; V24-L116 HydrophobicContact CG2-CD2 3.99Å; V24-L116 HydrophobicContact CG2-CG 4.24Å; Y87-L116 HydrophobicContact CE1-CD2 4.38Å; Y87-L116 HydrophobicContact CE2-CD2 4.14Å; F93-L116 HydrophobicContact CB-CD1 4.09Å; F93-L116 HydrophobicContact CD1-CD1 4.31Å; F93-L116 HydrophobicContact CD1-CD2 3.56Å; F93-L116 HydrophobicContact CD2-CD2 4.34Å; F93-L116 HydrophobicContact CE1-CD2 3.51Å; F93-L116 HydrophobicContact CE2-CD2 4.31Å; F93-L116 HydrophobicContact CG-CD1 4.1Å; F93-L116 HydrophobicContact CG-CD2 3.99Å; F93-L116 HydrophobicContact CZ-CD2 3.91Å; L95-L116 HydrophobicContact CB-CD1 4.38Å; L95-L116 HydrophobicContact CD2-CD1 4.27Å; W112-L116 WeakPolarHBondContact O-CG 3.2Å; W112-L116 PolarHBondContact O-N 2.74Å; Y113-L116 PolarHBondContact O-N 2.73Å; L116-H118 VanDerWaalsContact C-N 3.32Å; L116-H118 PolarHBondContact O-N 2.9Å; L116-H119 PolarHBondContact O-N 2.96Å; L116-C120 CarbonylContact O-C 3.58Å; L116-C120 WeakPolarHBondContact O-CA 3.08Å; L116-C120 WeakPolarHBondContact O-CB 3.37Å; L116-C120 PolarHBondContact O-N 2.9Å; L116-I125 HydrophobicContact CB-CD1 4.04Å; L116-I125 HydrophobicContact CD1-CD1 3.88Å; L116-I125 HydrophobicContact CD1-CG1 4.23Å; L116-I125 HydrophobicContact CD1-CG2 4.29Å
117	R	98.2	Very high	98.3	Very high	53 Å²	53	44.7 Å²	44.7	20%	0.2	24%	0.24	C	C	.	.	H	α-helix	trans	-72.3	-25.3	178.9	-70.4	-60	-174.7	-147.6	-6.7	113.3	Y113 P114 E115 P121 T123	Y113-R117 HydrophobicContact CD1-CG 4.45Å; Y113-R117 HydrophobicContact CD2-CG 4.06Å; Y113-R117 HydrophobicContact CE1-CG 4Å; Y113-R117 HydrophobicContact CE2-CG 3.59Å; Y113-R117 HydrophobicContact CG-CG 4.47Å; Y113-R117 WeakPolarHBondContact O-CB 3.34Å; Y113-R117 WeakPolarHBondContact O-CG 3.47Å; Y113-R117 PolarHBondContact O-N 3.17Å; P114-R117 PolarHBondContact O-N 2.91Å; E115-R117 PolarHBondContact O-N 2.71Å; R117-P121 WeakPolarHBondContact CD-O 3.29Å; R117-P121 PolarHBondContact NH1-O 2.81Å; R117-P121 WeakPolarHBondContact O-CA 3.43Å; R117-T123 PolarHBondContact NH1-O 2.87Å
118	H	98.1	Very high	98.3	Very high	148 Å²	148	42.8 Å²	42.8	69%	0.685	23%	0.23	S	C	*	.	H	α-helix	trans	-66.1	-46.3	172.1	176.6	72.1	0	0	0	111.4	P114 E115 L116	P114-H118 WeakPolarHBondContact O-CB 3.33Å; P114-H118 PolarHBondContact O-N 2.89Å; E115-H118 WeakPolarHBondContact O-CB 3.28Å; E115-H118 PolarHBondContact O-N 2.81Å; L116-H118 VanDerWaalsContact C-N 3.32Å; L116-H118 PolarHBondContact O-N 2.9Å
119	H	98.3	Very high	98.3	Very high	85 Å²	85	42.8 Å²	42.8	39%	0.394	23%	0.23	S	C	.	.	H	α-helix	trans	-86.1	-31	-177.5	-70.1	-71.3	0	0	0	114.2	Y87 E115 L116	Y87-H119 HydrophobicContact CD2-CB 3.76Å; Y87-H119 AromaticContact CD2-CD2 3.81Å; Y87-H119 AromaticContact CD2-CG 3.84Å; Y87-H119 AromaticContact CE2-CD2 3.94Å; E115-H119 PolarHBondContact O-CD2 2.87Å; E115-H119 VanDerWaalsContact O-CD2 3.32Å; E115-H119 PolarHBondContact O-N 3.46Å; L116-H119 PolarHBondContact O-N 2.96Å
120	C	97.9	Very high	98.3	Very high	16 Å²	16	40.4 Å²	40.4	11%	0.108	22%	0.215	C	C	.	.			trans	-141.2	74.1	-169.7	-66.5	0	0	0	0	110.1	F93 L116 D122 T123	F93-C120 HydrophobicContact CE2-CB 3.64Å; F93-C120 HydrophobicContact CZ-CB 4.23Å; L116-C120 CarbonylContact O-C 3.58Å; L116-C120 WeakPolarHBondContact O-CA 3.08Å; L116-C120 WeakPolarHBondContact O-CB 3.37Å; L116-C120 PolarHBondContact O-N 2.9Å; C120-D122 VanDerWaalsContact C-N 3.28Å; C120-D122 PolarHBondContact O-N 3.45Å; C120-T123 WeakPolarHBondContact CB-OG1 3.35Å; C120-T123 PolarHBondContact O-N 3.29Å
121	P	96.3	Very high	98.3	Very high	72 Å²	72	39.6 Å²	39.6	47%	0.468	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-35.7	-169.2	21.9	-33.2	0	0	0	113.4	R117	R117-P121 WeakPolarHBondContact CD-O 3.29Å; R117-P121 PolarHBondContact NH1-O 2.81Å; R117-P121 WeakPolarHBondContact O-CA 3.43Å
122	D	95	Very high	98.3	Very high	148 Å²	148	39.4 Å²	39.4	79%	0.791	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-5.6	-171.6	-58.2	-50.8	0	0	0	114.2	C120	C120-D122 VanDerWaalsContact C-N 3.28Å; C120-D122 PolarHBondContact O-N 3.45Å
123	T	97.9	Very high	98.3	Very high	25 Å²	25	41.7 Å²	41.7	15%	0.153	22%	0.215	C	C	.	.	S	Bend	trans	-67	133.8	-177.7	-56.8	0	0	0	0	110.4	T90 F93 R117 C120	T90-T123 HydrophobicContact CG2-CG2 4.25Å; T90-T123 WeakPolarHBondContact O-CG2 3.45Å; F93-T123 HydrophobicContact CD2-CG2 3.53Å; F93-T123 HydrophobicContact CE2-CG2 3.71Å; R117-T123 PolarHBondContact NH1-O 2.87Å; C120-T123 WeakPolarHBondContact CB-OG1 3.35Å; C120-T123 PolarHBondContact O-N 3.29Å
124	P	98.4	Very high	98.3	Very high	35 Å²	35	41.3 Å²	41.3	23%	0.227	22%	0.216	C	C	.	.			trans	-63.3	140.6	175	25.2	-33.7	0	0	0	111	D91 V92 F93 A190	D91-P124 VanDerWaalsContact O-CD 3.28Å; D91-P124 WeakPolarHBondContact O-CD 3.25Å; D91-P124 VanDerWaalsContact O-CG 3.26Å; D91-P124 WeakPolarHBondContact O-CG 3.37Å; V92-P124 HydrophobicContact CB-CG 4.17Å; V92-P124 HydrophobicContact CG2-CB 4.48Å; V92-P124 HydrophobicContact CG2-CG 4.2Å; F93-P124 PolarHBondContact N-O 3.23Å; P124-A190 HydrophobicContact CB-CB 4.03Å; P124-A190 HydrophobicContact CG-CB 4.23Å
125	I	98.8	Very high	98.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.3	178.7	-56.8	169.1	0	0	0	107.7	F93 L95 Y113 L116 L166 Y167	F93-I125 HydrophobicContact CB-CG1 4.13Å; F93-I125 HydrophobicContact CB-CG2 4.39Å; F93-I125 HydrophobicContact CD2-CG1 4.48Å; F93-I125 WeakPolarHBondContact O-CA 3.3Å; L95-I125 HydrophobicContact CB-CG2 3.79Å; L95-I125 HydrophobicContact CD2-CG2 4.44Å; Y113-I125 HydrophobicContact CD2-CD1 4.28Å; Y113-I125 HydrophobicContact CE2-CD1 4.48Å; L116-I125 HydrophobicContact CB-CD1 4.04Å; L116-I125 HydrophobicContact CD1-CD1 3.88Å; L116-I125 HydrophobicContact CD1-CG1 4.23Å; L116-I125 HydrophobicContact CD1-CG2 4.29Å; I125-L166 HydrophobicContact CB-CD2 4.04Å; I125-L166 HydrophobicContact CD1-CD2 4.22Å; I125-L166 HydrophobicContact CG2-CD2 4.23Å; I125-L166 WeakPolarHBondContact O-CB 3.15Å; I125-Y167 WeakPolarHBondContact O-CB 3.36Å; I125-Y167 PolarHBondContact O-N 3.09Å
126	L	98.9	Very high	98.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.7	164.4	-79.2	70	0	0	0	108.4	V92 F93 L95 V128 Y167 L170 E186 A187 A190	V92-L126 HydrophobicContact CG2-CD1 3.66Å; F93-L126 PolarHBondContact O-N 3.43Å; L95-L126 PolarHBondContact N-O 3.17Å; L126-V128 HydrophobicContact CB-CG2 4.34Å; L126-Y167 HydrophobicContact CD1-CD1 3.71Å; L126-Y167 HydrophobicContact CD1-CG 4.31Å; L126-Y167 HydrophobicContact CG-CD1 4.1Å; L126-L170 HydrophobicContact CD2-CD1 3.81Å; L126-L170 HydrophobicContact CG-CD1 4.35Å; L126-E186 HydrophobicContact CD2-CB 3.77Å; L126-A187 HydrophobicContact CD2-CB 4.08Å; L126-A190 HydrophobicContact CD1-CB 4.1Å
127	L	98.9	Very high	98.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	123.9	168.8	-178.7	63.7	0	0	0	108.9	L95 F97 V108 L160 A161 L166 K168 Y169 L170	L95-L127 HydrophobicContact CG-CD1 4.19Å; F97-L127 HydrophobicContact CD1-CD1 3.68Å; F97-L127 HydrophobicContact CD1-CG 4.2Å; F97-L127 HydrophobicContact CE1-CD1 3.88Å; F97-L127 HydrophobicContact CE1-CD2 4.26Å; F97-L127 HydrophobicContact CE1-CG 3.86Å; V108-L127 HydrophobicContact CB-CD1 4.49Å; V108-L127 HydrophobicContact CG1-CD1 3.76Å; V108-L127 HydrophobicContact CG2-CD1 3.85Å; L127-L160 HydrophobicContact CD2-CB 4.32Å; L127-L160 HydrophobicContact CD2-CD2 4.12Å; L127-L160 HydrophobicContact CD2-CG 4.26Å; L127-A161 HydrophobicContact CB-CB 4.42Å; L127-A161 HydrophobicContact CD2-CB 4.2Å; L127-L166 HydrophobicContact CB-CD1 3.66Å; L127-L166 HydrophobicContact CD2-CD1 4.26Å; L127-L166 HydrophobicContact CG-CD1 4.4Å; L127-K168 PolarHBondContact N-O 3.26Å; L127-Y169 HydrophobicContact CB-CD2 4.15Å; L127-Y169 HydrophobicContact CD2-CD2 3.96Å; L127-Y169 HydrophobicContact CD2-CE2 4.42Å; L127-Y169 HydrophobicContact CG-CD2 3.9Å; L127-Y169 HydrophobicContact CG-CE2 4.35Å; L127-Y169 WeakPolarHBondContact O-CA 3.18Å; L127-Y169 WeakPolarHBondContact O-CD2 3.34Å; L127-L170 PolarHBondContact O-N 2.72Å
128	V	99	Very high	98.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	116.5	-175.3	-179.8	0	0	0	0	110.9	M34 I94 L95 C96 F97 L126 T130 L170 V183	M34-V128 HydrophobicContact SD-CG1 4.28Å; I94-V128 HydrophobicContact CG2-CB 4.03Å; I94-V128 HydrophobicContact CG2-CG2 3.6Å; L95-V128 PolarHBondContact O-N 3.34Å; C96-V128 WeakPolarHBondContact CA-O 3.25Å; F97-V128 PolarHBondContact N-O 3.18Å; L126-V128 HydrophobicContact CB-CG2 4.34Å; V128-T130 HydrophobicContact CG1-CG2 4.21Å; V128-T130 PolarHBondContact O-N 3.46Å; V128-L170 CarbonylContact C-O 3.51Å; V128-L170 WeakPolarHBondContact CA-O 3.32Å; V128-V183 HydrophobicContact CG1-CG1 4.48Å; V128-V183 HydrophobicContact CG1-CG2 4.03Å; V128-V183 HydrophobicContact CG2-CG1 3.85Å; V128-V183 HydrophobicContact CG2-CG2 4.26Å
129	G	99	Very high	98.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	106.8	168.3	0	0	0	0	0	110.7	F97 L170 E171 C172	F97-G129 CarbonylContact O-C 3.59Å; F97-G129 WeakPolarHBondContact O-CA 3.37Å; G129-L170 PolarHBondContact N-O 2.7Å; G129-E171 CarbonylContact O-C 3.49Å; G129-E171 WeakPolarHBondContact O-CA 3.48Å; G129-C172 PolarHBondContact O-N 3.46Å
130	T	98.9	Very high	98.2	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.025	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	171.2	179.4	57.9	0	0	0	0	111.9	V29 M34 C96 F97 S98 L99 V128 C172	V29-T130 WeakPolarHBondContact O-CB 3.26Å; V29-T130 PolarHBondContact O-OG1 3.47Å; M34-T130 HydrophobicContact SD-CG2 4.42Å; C96-T130 HydrophobicContact CB-CG2 4.09Å; F97-T130 PolarHBondContact O-N 3.11Å; F97-T130 PolarHBondContact O-OG1 3.25Å; S98-T130 WeakPolarHBondContact CA-OG1 3.4Å; L99-T130 WeakPolarHBondContact CB-O 3.43Å; L99-T130 WeakPolarHBondContact CG-O 3.34Å; L99-T130 PolarHBondContact N-O 3.15Å; V128-T130 HydrophobicContact CG1-CG2 4.21Å; V128-T130 PolarHBondContact O-N 3.46Å; T130-C172 CarbonylContact C-O 3.43Å; T130-C172 WeakPolarHBondContact CA-O 3.47Å
131	K	98.6	Very high	98.2	Very high	65 Å²	65	45.4 Å²	45.4	28%	0.283	25%	0.253	S	S	.	.			trans	60.7	40.6	-179.5	-48.9	-168.9	-170.9	-179.6	0	113.2	T28 V29 V100 D133 L134 C172	T28-K131 WeakPolarHBondContact O-CE 3.5Å; T28-K131 PolarHBondContact O-NZ 2.89Å; V29-K131 VanDerWaalsContact O-CE 3.3Å; V29-K131 WeakPolarHBondContact O-CE 3.34Å; V100-K131 HydrophobicContact CG2-CB 4.43Å; V100-K131 HydrophobicContact CG2-CD 4.31Å; K131-D133 WeakPolarHBondContact CA-OD1 3.49Å; K131-D133 PolarHBondContact O-N 2.93Å; K131-L134 HydrophobicContact CB-CB 4.49Å; K131-L134 HydrophobicContact CB-CD1 4.1Å; K131-L134 HydrophobicContact CB-CG 4.29Å; K131-L134 HydrophobicContact CD-CD1 3.96Å; K131-L134 PolarHBondContact O-N 3.22Å; K131-C172 PolarHBondContact N-O 3.49Å
132	L	98.9	Very high	98.3	Very high	31 Å²	31	48 Å²	48	16%	0.162	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-56.1	-33.9	178.2	178.8	60.1	0	0	0	113.2	L99 L134 R135 E171 C172 D178	L99-L132 HydrophobicContact CD1-CB 3.93Å; L99-L132 HydrophobicContact CD1-CD1 3.72Å; L99-L132 HydrophobicContact CD1-CG 4.45Å; L132-L134 PolarHBondContact O-N 3.45Å; L132-R135 VanDerWaalsContact CD1-NH1 3.33Å; L132-R135 WeakPolarHBondContact O-CB 3.21Å; L132-R135 PolarHBondContact O-N 3.14Å; L132-R135 VanDerWaalsContact O-N 3.12Å; L132-E171 HydrophobicContact CD1-CB 4.34Å; L132-E171 HydrophobicContact CD2-CB 4.3Å; L132-C172 VanDerWaalsContact CB-C 3.49Å; L132-C172 WeakPolarHBondContact CB-O 3.49Å; L132-C172 PolarHBondContact N-O 3.33Å; L132-C172 VanDerWaalsContact N-O 3.08Å; L132-D178 WeakPolarHBondContact CD2-OD2 3.3Å
133	D	98.4	Very high	98.5	Very high	49 Å²	49	45.2 Å²	45.2	26%	0.262	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-57.1	-28.1	174.9	55.3	-72.1	0	0	0	113.3	K131 S173 T176	K131-D133 WeakPolarHBondContact CA-OD1 3.49Å; K131-D133 PolarHBondContact O-N 2.93Å; D133-S173 VanDerWaalsContact CG-OG 3.24Å; D133-S173 VanDerWaalsContact OD1-CB 3.29Å; D133-S173 WeakPolarHBondContact OD1-CB 3.4Å; D133-S173 PolarHBondContact OD1-OG 3.01Å; D133-T176 HydrophobicContact CB-CG2 4.01Å
134	L	98.6	Very high	98.5	Very high	45 Å²	45	44.5 Å²	44.5	24%	0.236	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-87	-11.6	-179.2	-59.6	-175.2	0	0	0	113.8	V100 K131 L132 N136 N137 T140	V100-L134 HydrophobicContact CB-CB 4.48Å; V100-L134 HydrophobicContact CG1-CB 3.71Å; V100-L134 HydrophobicContact CG2-CB 4.05Å; V100-L134 HydrophobicContact CG2-CD1 3.89Å; K131-L134 HydrophobicContact CB-CB 4.49Å; K131-L134 HydrophobicContact CB-CD1 4.1Å; K131-L134 HydrophobicContact CB-CG 4.29Å; K131-L134 HydrophobicContact CD-CD1 3.96Å; K131-L134 PolarHBondContact O-N 3.22Å; L132-L134 PolarHBondContact O-N 3.45Å; L134-N136 VanDerWaalsContact C-N 3.26Å; L134-N136 PolarHBondContact O-N 3.19Å; L134-N137 HydrophobicContact CD2-CB 4.31Å; L134-N137 WeakPolarHBondContact O-CB 3.41Å; L134-N137 PolarHBondContact O-N 2.99Å; L134-N137 VanDerWaalsContact O-N 3.16Å; L134-T140 HydrophobicContact CB-CG2 4.27Å
135	R	98.4	Very high	98.5	Very high	41 Å²	41	47.8 Å²	47.8	16%	0.155	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-39.9	-175.4	175.7	178.9	-76.3	159.3	-8.1	112.8	L132 L141 P151 I152 E171	L132-R135 VanDerWaalsContact CD1-NH1 3.33Å; L132-R135 WeakPolarHBondContact O-CB 3.21Å; L132-R135 PolarHBondContact O-N 3.14Å; L132-R135 VanDerWaalsContact O-N 3.12Å; R135-L141 WeakPolarHBondContact O-CD2 3.48Å; R135-P151 HydrophobicContact CG-CB 4.1Å; R135-I152 PolarHBondContact NE-O 2.99Å; R135-I152 PolarHBondContact NH2-O 3.25Å; R135-E171 IonicContact CZ-OE1 3.61Å; R135-E171 IonicContact CZ-OE2 3.31Å; R135-E171 VanDerWaalsContact CZ-OE2 3.31Å; R135-E171 IonicContact NH1-OE1 3.64Å; R135-E171 IonicContact NH1-OE2 2.67Å; R135-E171 PolarHBondContact NH1-OE2 3.33Å; R135-E171 IonicContact NH2-OE1 3.43Å; R135-E171 PolarHBondContact NH2-OE1 3.21Å; R135-E171 IonicContact NH2-OE2 2.82Å; R135-E171 PolarHBondContact NH2-OE2 3.33Å; R135-E171 VanDerWaalsContact NH2-OE2 3.13Å
136	N	97.4	Very high	98.4	Very high	134 Å²	134	52.4 Å²	52.4	72%	0.717	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	11.9	-178.2	-60.9	-33.8	0	0	0	112.3	L134 S138	L134-N136 VanDerWaalsContact C-N 3.26Å; L134-N136 PolarHBondContact O-N 3.19Å; N136-S138 PolarHBondContact O-N 3.02Å
137	N	98.2	Very high	98.4	Very high	62 Å²	62	58.9 Å²	58.9	33%	0.332	32%	0.317	S	S	.	.			trans	-74.1	122.1	-179.9	173.8	-86.6	0	0	0	109.8	L134 V139 T140 L141	L134-N137 HydrophobicContact CD2-CB 4.31Å; L134-N137 WeakPolarHBondContact O-CB 3.41Å; L134-N137 PolarHBondContact O-N 2.99Å; L134-N137 VanDerWaalsContact O-N 3.16Å; N137-V139 PolarHBondContact O-N 2.87Å; N137-V139 PolarHBondContact OD1-N 3.27Å; N137-T140 WeakPolarHBondContact O-CB 3.17Å; N137-T140 PolarHBondContact O-N 2.79Å; N137-T140 VanDerWaalsContact O-N 3.08Å; N137-T140 PolarHBondContact OD1-N 3.39Å; N137-T140 PolarHBondContact OD1-OG1 3.36Å; N137-L141 WeakPolarHBondContact O-CG 3.3Å; N137-L141 PolarHBondContact O-N 3.37Å
138	S	98.2	Very high	98.3	Very high	81 Å²	81	62.3 Å²	62.3	57%	0.566	35%	0.353	S	S	*	.	H	α-helix	trans	-56.2	-45.2	-173.2	-50.3	0	0	0	0	113.3	N136 T140 L141 E142	N136-S138 PolarHBondContact O-N 3.02Å; S138-T140 VanDerWaalsContact C-N 3.33Å; S138-T140 PolarHBondContact O-N 3.46Å; S138-L141 PolarHBondContact O-N 3.36Å; S138-E142 WeakPolarHBondContact O-CB 3.42Å; S138-E142 WeakPolarHBondContact O-CG 3.11Å; S138-E142 PolarHBondContact O-N 3.49Å
139	V	98.3	Very high	98.3	Very high	86 Å²	86	65.4 Å²	65.4	52%	0.521	37%	0.369	S	S	.	.	H	α-helix	trans	-63.4	-41.8	178.9	179	0	0	0	0	110.9	N137 E142 N143	N137-V139 PolarHBondContact O-N 2.87Å; N137-V139 PolarHBondContact OD1-N 3.27Å; V139-E142 PolarHBondContact O-N 2.94Å; V139-N143 WeakPolarHBondContact O-CB 3.29Å; V139-N143 PolarHBondContact O-N 2.69Å; V139-N143 PolarHBondContact O-ND2 3.19Å
140	T	98.2	Very high	98.2	Very high	24 Å²	24	68.7 Å²	68.7	15%	0.147	39%	0.392	C	S	.	.	H	α-helix	trans	-65.7	-40.5	177.2	-55.5	0	0	0	0	111.5	V100 L134 N137 S138 N143 L144	V100-T140 HydrophobicContact CB-CG2 3.7Å; V100-T140 HydrophobicContact CG1-CG2 3.64Å; V100-T140 HydrophobicContact CG2-CG2 4.2Å; L134-T140 HydrophobicContact CB-CG2 4.27Å; N137-T140 WeakPolarHBondContact O-CB 3.17Å; N137-T140 PolarHBondContact O-N 2.79Å; N137-T140 VanDerWaalsContact O-N 3.08Å; N137-T140 PolarHBondContact OD1-N 3.39Å; N137-T140 PolarHBondContact OD1-OG1 3.36Å; S138-T140 VanDerWaalsContact C-N 3.33Å; S138-T140 PolarHBondContact O-N 3.46Å; T140-N143 PolarHBondContact O-N 2.93Å; T140-L144 HydrophobicContact CG2-CD1 4.13Å; T140-L144 WeakPolarHBondContact O-CG 3.18Å; T140-L144 PolarHBondContact O-N 3.02Å
141	L	98.5	Very high	98.2	Very high	51 Å²	51	69.2 Å²	69.2	27%	0.267	40%	0.396	S	S	.	.	H	α-helix	trans	-64.7	-45.5	176	-72.1	174.1	0	0	0	111.8	R135 N137 S138 N143 L144 N145 P151	R135-L141 WeakPolarHBondContact O-CD2 3.48Å; N137-L141 WeakPolarHBondContact O-CG 3.3Å; N137-L141 PolarHBondContact O-N 3.37Å; S138-L141 PolarHBondContact O-N 3.36Å; L141-N143 PolarHBondContact O-N 3.17Å; L141-L144 PolarHBondContact O-N 3.15Å; L141-N145 VanDerWaalsContact O-CB 3.24Å; L141-N145 WeakPolarHBondContact O-CB 3.3Å; L141-N145 PolarHBondContact O-N 3Å; L141-N145 PolarHBondContact O-ND2 2.96Å; L141-P151 HydrophobicContact CD2-CG 3.59Å
142	E	98.4	Very high	98.2	Very high	127 Å²	127	66.4 Å²	66.4	59%	0.593	38%	0.384	S	S	*	.	H	α-helix	trans	-59	-46.4	175.6	-74.9	170.2	-165	0	0	111.3	S138 V139 L144 N145 S146	S138-E142 WeakPolarHBondContact O-CB 3.42Å; S138-E142 WeakPolarHBondContact O-CG 3.11Å; S138-E142 PolarHBondContact O-N 3.49Å; V139-E142 PolarHBondContact O-N 2.94Å; E142-L144 PolarHBondContact O-N 3.36Å; E142-N145 PolarHBondContact O-N 3.43Å; E142-S146 WeakPolarHBondContact O-CB 3.39Å; E142-S146 PolarHBondContact O-N 3.44Å
143	N	98.1	Very high	98.2	Very high	89 Å²	89	68 Å²	68	48%	0.476	40%	0.395	S	S	.	.	H	α-helix	trans	-61.7	-43.4	178	-73.2	-25.8	0	0	0	112.6	V139 T140 L141 S146 Q147	V139-N143 WeakPolarHBondContact O-CB 3.29Å; V139-N143 PolarHBondContact O-N 2.69Å; V139-N143 PolarHBondContact O-ND2 3.19Å; T140-N143 PolarHBondContact O-N 2.93Å; L141-N143 PolarHBondContact O-N 3.17Å; N143-S146 PolarHBondContact O-OG 2.91Å; N143-Q147 PolarHBondContact O-NE2 3.45Å; N143-Q147 VanDerWaalsContact O-NE2 3.09Å
144	L	98.4	Very high	98.2	Very high	11 Å²	11	74.3 Å²	74.3	6%	0.058	42%	0.415	C	S	.	.	H	α-helix	trans	-68	-44.7	176.5	-75.4	169.1	0	0	0	111.6	V100 T140 L141 E142 S146 Q147 G148 L149 P151	V100-L144 HydrophobicContact CB-CD1 4.16Å; V100-L144 HydrophobicContact CG1-CD1 4.45Å; T140-L144 HydrophobicContact CG2-CD1 4.13Å; T140-L144 WeakPolarHBondContact O-CG 3.18Å; T140-L144 PolarHBondContact O-N 3.02Å; L141-L144 PolarHBondContact O-N 3.15Å; E142-L144 PolarHBondContact O-N 3.36Å; L144-S146 VanDerWaalsContact C-N 3.29Å; L144-S146 PolarHBondContact O-N 2.99Å; L144-Q147 CarbonylContact O-C 3.51Å; L144-Q147 WeakPolarHBondContact O-CA 3.5Å; L144-Q147 WeakPolarHBondContact O-CB 3.33Å; L144-Q147 PolarHBondContact O-N 3.17Å; L144-G148 PolarHBondContact O-N 3.1Å; L144-L149 CarbonylContact C-O 3.23Å; L144-L149 VanDerWaalsContact C-O 3.23Å; L144-L149 HydrophobicContact CB-CB 4.3Å; L144-L149 HydrophobicContact CD2-CB 3.9Å; L144-L149 HydrophobicContact CD2-CD1 4.35Å; L144-L149 PolarHBondContact O-N 3.09Å; L144-P151 HydrophobicContact CD1-CB 4.49Å; L144-P151 HydrophobicContact CD1-CG 3.71Å
145	N	98	Very high	98.2	Very high	103 Å²	103	75.2 Å²	75.2	55%	0.551	43%	0.425	S	S	*	.	H	α-helix	trans	-61.6	-37.6	179.4	-72.9	-21.9	0	0	0	111.7	L141 E142 Q147 G148 L149	L141-N145 VanDerWaalsContact O-CB 3.24Å; L141-N145 WeakPolarHBondContact O-CB 3.3Å; L141-N145 PolarHBondContact O-N 3Å; L141-N145 PolarHBondContact O-ND2 2.96Å; E142-N145 PolarHBondContact O-N 3.43Å; N145-Q147 PolarHBondContact O-N 3.45Å; N145-Q147 VanDerWaalsContact O-N 3.16Å; N145-G148 PolarHBondContact O-N 3.07Å; N145-L149 PolarHBondContact N-O 3.05Å; N145-L149 PolarHBondContact OD1-O 2.58Å
146	S	97.9	Very high	98.3	Very high	98 Å²	98	77 Å²	77	69%	0.685	44%	0.435	S	S	*	.	H	α-helix	trans	-61.2	-21.7	175.1	77	0	0	0	0	113.5	E142 N143 L144	E142-S146 WeakPolarHBondContact O-CB 3.39Å; E142-S146 PolarHBondContact O-N 3.44Å; N143-S146 PolarHBondContact O-OG 2.91Å; L144-S146 VanDerWaalsContact C-N 3.29Å; L144-S146 PolarHBondContact O-N 2.99Å
147	Q	97.4	Very high	98.3	Very high	135 Å²	135	70.7 Å²	70.7	63%	0.631	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	5.2	176.3	-64.4	171	63	0	0	112.6	N143 L144 N145 L149	N143-Q147 PolarHBondContact O-NE2 3.45Å; N143-Q147 VanDerWaalsContact O-NE2 3.09Å; L144-Q147 CarbonylContact O-C 3.51Å; L144-Q147 WeakPolarHBondContact O-CA 3.5Å; L144-Q147 WeakPolarHBondContact O-CB 3.33Å; L144-Q147 PolarHBondContact O-N 3.17Å; N145-Q147 PolarHBondContact O-N 3.45Å; N145-Q147 VanDerWaalsContact O-N 3.16Å; Q147-L149 HydrophobicContact CB-CD1 4.19Å; Q147-L149 HydrophobicContact CB-CG 4.19Å; Q147-L149 PolarHBondContact O-N 2.89Å
148	G	97.7	Very high	98.4	Very high	72 Å²	72	70.1 Å²	70.1	74%	0.742	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	19.9	-174.6	0	0	0	0	0	113.9	L144 N145	L144-G148 PolarHBondContact O-N 3.1Å; N145-G148 PolarHBondContact O-N 3.07Å
149	L	98.1	Very high	98.4	Very high	65 Å²	65	72.7 Å²	72.7	34%	0.34	40%	0.403	S	S	.	.			trans	-107	163.8	-179.1	-63.2	178.1	0	0	0	110.9	P102 L144 N145 Q147	P102-L149 HydrophobicContact CG-CB 4.3Å; P102-L149 HydrophobicContact CG-CD1 4.31Å; P102-L149 HydrophobicContact CG-CD2 4.42Å; L144-L149 CarbonylContact C-O 3.23Å; L144-L149 VanDerWaalsContact C-O 3.23Å; L144-L149 HydrophobicContact CB-CB 4.3Å; L144-L149 HydrophobicContact CD2-CB 3.9Å; L144-L149 HydrophobicContact CD2-CD1 4.35Å; L144-L149 PolarHBondContact O-N 3.09Å; N145-L149 PolarHBondContact N-O 3.05Å; N145-L149 PolarHBondContact OD1-O 2.58Å; Q147-L149 HydrophobicContact CB-CD1 4.19Å; Q147-L149 HydrophobicContact CB-CG 4.19Å; Q147-L149 PolarHBondContact O-N 2.89Å
150	S	98.2	Very high	98.4	Very high	70 Å²	70	69.4 Å²	69.4	49%	0.49	38%	0.383	S	S	.	.			trans	-140.4	157.5	171.2	54.4	0	0	0	0	110.6
151	P	98.7	Very high	98.4	Very high	15 Å²	15	68.5 Å²	68.5	10%	0.097	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-58.3	146.5	174.6	-23.6	33.1	0	0	0	112.2	L99 V100 R135 L141 L144 T153	L99-P151 CarbonylContact O-C 3.42Å; L99-P151 VanDerWaalsContact O-CA 3.25Å; L99-P151 WeakPolarHBondContact O-CA 3.21Å; V100-P151 HydrophobicContact CG1-CB 4.38Å; V100-P151 HydrophobicContact CG1-CG 4.47Å; R135-P151 HydrophobicContact CG-CB 4.1Å; L141-P151 HydrophobicContact CD2-CG 3.59Å; L144-P151 HydrophobicContact CD1-CB 4.49Å; L144-P151 HydrophobicContact CD1-CG 3.71Å; P151-T153 PolarHBondContact O-N 3.33Å
152	I	98.8	Very high	98.4	Very high	6 Å²	6	73.1 Å²	73.1	3%	0.031	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-64.5	124.7	175.2	-56.6	-57.9	0	0	0	109.6	F97 L99 P102 F105 R135 Q156	F97-I152 HydrophobicContact CD2-CG1 4.46Å; F97-I152 HydrophobicContact CE2-CB 3.9Å; F97-I152 HydrophobicContact CE2-CG1 3.98Å; F97-I152 HydrophobicContact CE2-CG2 3.78Å; F97-I152 HydrophobicContact CZ-CG2 4.11Å; L99-I152 HydrophobicContact CD2-CB 4.19Å; L99-I152 PolarHBondContact O-N 3.01Å; P102-I152 HydrophobicContact CB-CD1 4.21Å; P102-I152 HydrophobicContact CG-CD1 4.45Å; F105-I152 HydrophobicContact CB-CD1 3.9Å; F105-I152 HydrophobicContact CB-CG1 3.86Å; F105-I152 HydrophobicContact CD1-CD1 3.82Å; F105-I152 HydrophobicContact CD1-CG1 4.41Å; F105-I152 HydrophobicContact CD2-CG1 4.42Å; F105-I152 HydrophobicContact CD2-CG2 4Å; F105-I152 HydrophobicContact CE2-CG2 4.01Å; F105-I152 HydrophobicContact CG-CD1 3.88Å; F105-I152 HydrophobicContact CG-CG1 3.99Å; F105-I152 HydrophobicContact CG-CG2 4.25Å; F105-I152 HydrophobicContact CZ-CG2 4.28Å; R135-I152 PolarHBondContact NE-O 2.99Å; R135-I152 PolarHBondContact NH2-O 3.25Å; I152-Q156 HydrophobicContact CG2-CB 3.95Å
153	T	98.7	Very high	98.4	Very high	65 Å²	65	74.1 Å²	74.1	40%	0.399	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-79.4	156.2	178.1	66.5	0	0	0	0	111.7	P151 S155 Q156 G157	P151-T153 PolarHBondContact O-N 3.33Å; T153-S155 PolarHBondContact O-N 3.43Å; T153-Q156 PolarHBondContact O-N 3.4Å; T153-Q156 VanDerWaalsContact O-N 3.1Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.46Å; T153-Q156 PolarHBondContact OG1-N 2.79Å; T153-Q156 PolarHBondContact OG1-OE1 3.08Å; T153-G157 PolarHBondContact O-N 3.08Å
154	R	98.6	Very high	98.4	Very high	180 Å²	180	70.6 Å²	70.6	68%	0.679	38%	0.381	S	S	*	.	H	α-helix	trans	-56.7	-34.5	174.3	-171	175.3	-178.4	162.5	2.8	113.2	S158 Y169 E171	R154-S158 VanDerWaalsContact O-CB 3.3Å; R154-S158 WeakPolarHBondContact O-CB 3.26Å; R154-S158 PolarHBondContact O-N 3.22Å; R154-S158 PolarHBondContact O-OG 2.75Å; R154-Y169 HydrophobicContact CG-CE1 4.15Å; R154-E171 WeakPolarHBondContact CA-OE1 3.46Å; R154-E171 WeakPolarHBondContact CB-OE1 3.41Å
155	S	98.8	Very high	98.3	Very high	64 Å²	64	77 Å²	77	45%	0.448	41%	0.411	S	S	.	.	H	α-helix	trans	-66.5	-43.4	177.2	-170.3	0	0	0	0	111.7	T153 S158 K159	T153-S155 PolarHBondContact O-N 3.43Å; S155-S158 PolarHBondContact O-N 2.94Å; S155-K159 WeakPolarHBondContact O-CB 3.19Å; S155-K159 VanDerWaalsContact O-CG 3.26Å; S155-K159 WeakPolarHBondContact O-CG 3.31Å; S155-K159 PolarHBondContact O-N 2.95Å
156	Q	98.8	Very high	98.3	Very high	80 Å²	80	72.9 Å²	72.9	37%	0.374	39%	0.389	S	S	.	.	H	α-helix	trans	-61.1	-50.3	177.2	-75.8	163.9	-65.1	0	0	111.5	F105 I152 T153 S158 K159 L160	F105-Q156 HydrophobicContact CE1-CB 4.45Å; F105-Q156 HydrophobicContact CZ-CB 4.2Å; I152-Q156 HydrophobicContact CG2-CB 3.95Å; T153-Q156 PolarHBondContact O-N 3.4Å; T153-Q156 VanDerWaalsContact O-N 3.1Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.46Å; T153-Q156 PolarHBondContact OG1-N 2.79Å; T153-Q156 PolarHBondContact OG1-OE1 3.08Å; Q156-S158 PolarHBondContact O-N 2.55Å; Q156-K159 PolarHBondContact O-N 2.97Å; Q156-L160 PolarHBondContact O-N 3.2Å
157	G	98.9	Very high	98.3	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-62.4	-42	178.7	0	0	0	0	0	113.3	T153 L160 A161	T153-G157 PolarHBondContact O-N 3.08Å; G157-L160 PolarHBondContact O-N 2.91Å; G157-A161 PolarHBondContact O-N 2.96Å
158	S	98.8	Very high	98.4	Very high	51 Å²	51	67.9 Å²	67.9	36%	0.357	35%	0.352	S	S	.	.	H	α-helix	trans	-63.3	-44.2	176.4	-57.2	0	0	0	0	112.2	R154 S155 Q156 L160 A161 Q162 Y169	R154-S158 VanDerWaalsContact O-CB 3.3Å; R154-S158 WeakPolarHBondContact O-CB 3.26Å; R154-S158 PolarHBondContact O-N 3.22Å; R154-S158 PolarHBondContact O-OG 2.75Å; S155-S158 PolarHBondContact O-N 2.94Å; Q156-S158 PolarHBondContact O-N 2.55Å; S158-L160 VanDerWaalsContact C-N 3.34Å; S158-L160 PolarHBondContact O-N 3.36Å; S158-A161 PolarHBondContact O-N 2.82Å; S158-Q162 WeakPolarHBondContact O-CB 3.4Å; S158-Q162 PolarHBondContact O-N 3.34Å; S158-Y169 WeakPolarHBondContact OG-CD1 3.16Å
159	K	98.9	Very high	98.4	Very high	135 Å²	135	65.8 Å²	65.8	59%	0.587	32%	0.322	S	S	*	.	H	α-helix	trans	-62.8	-40.5	176.7	-76.9	175.7	-179.4	179.4	0	111.6	S155 Q156 Q162 K163	S155-K159 WeakPolarHBondContact O-CB 3.19Å; S155-K159 VanDerWaalsContact O-CG 3.26Å; S155-K159 WeakPolarHBondContact O-CG 3.31Å; S155-K159 PolarHBondContact O-N 2.95Å; Q156-K159 PolarHBondContact O-N 2.97Å; K159-Q162 PolarHBondContact O-N 3.04Å; K159-K163 VanDerWaalsContact O-CB 3.3Å; K159-K163 WeakPolarHBondContact O-CB 3.38Å; K159-K163 PolarHBondContact O-N 3.18Å
160	L	98.8	Very high	98.5	Very high	16 Å²	16	63.4 Å²	63.4	8%	0.084	31%	0.309	C	S	.	.	H	α-helix	trans	-66	-46.6	178	-177.5	60.8	0	0	0	111.5	F105 V108 T109 L127 Q156 G157 S158 Q162 K163 L164	F105-L160 HydrophobicContact CD2-CD2 4.07Å; F105-L160 HydrophobicContact CE1-CD2 4.12Å; F105-L160 HydrophobicContact CE2-CB 4.12Å; F105-L160 HydrophobicContact CE2-CD2 3.43Å; F105-L160 VanDerWaalsContact CE2-CD2 3.43Å; F105-L160 HydrophobicContact CE2-CG 4.41Å; F105-L160 HydrophobicContact CZ-CB 3.74Å; F105-L160 HydrophobicContact CZ-CD2 3.47Å; F105-L160 VanDerWaalsContact CZ-CD2 3.47Å; F105-L160 HydrophobicContact CZ-CG 4.21Å; V108-L160 HydrophobicContact CB-CD2 4.01Å; V108-L160 HydrophobicContact CG1-CD2 3.72Å; T109-L160 WeakPolarHBondContact OG1-CD1 3.48Å; L127-L160 HydrophobicContact CD2-CB 4.32Å; L127-L160 HydrophobicContact CD2-CD2 4.12Å; L127-L160 HydrophobicContact CD2-CG 4.26Å; Q156-L160 PolarHBondContact O-N 3.2Å; G157-L160 PolarHBondContact O-N 2.91Å; S158-L160 VanDerWaalsContact C-N 3.34Å; S158-L160 PolarHBondContact O-N 3.36Å; L160-Q162 VanDerWaalsContact C-N 3.28Å; L160-Q162 PolarHBondContact O-N 2.95Å; L160-K163 HydrophobicContact CD1-CD 4.49Å; L160-K163 WeakPolarHBondContact O-CB 3.42Å; L160-K163 PolarHBondContact O-N 2.96Å; L160-L164 HydrophobicContact CD1-CD1 3.75Å; L160-L164 HydrophobicContact CD1-CG 3.88Å; L160-L164 HydrophobicContact CG-CD1 3.98Å; L160-L164 HydrophobicContact CG-CG 4.39Å; L160-L164 WeakPolarHBondContact O-CG 3.33Å; L160-L164 PolarHBondContact O-N 3.06Å
161	A	98.8	Very high	98.5	Very high	6 Å²	6	60.9 Å²	60.9	5%	0.05	29%	0.29	C	S	.	.	H	α-helix	trans	-59.6	-39.9	176.3	0	0	0	0	0	112.2	L127 G157 S158 H165 L166	L127-A161 HydrophobicContact CB-CB 4.42Å; L127-A161 HydrophobicContact CD2-CB 4.2Å; G157-A161 PolarHBondContact O-N 2.96Å; S158-A161 PolarHBondContact O-N 2.82Å; A161-H165 PolarHBondContact O-N 2.88Å; A161-L166 HydrophobicContact CB-CB 4.21Å; A161-L166 HydrophobicContact CB-CD1 4.34Å; A161-L166 PolarHBondContact O-N 3.43Å
162	Q	98.4	Very high	98.5	Very high	147 Å²	147	60.2 Å²	60.2	69%	0.687	29%	0.285	S	S	*	.	H	α-helix	trans	-64.3	-46.4	174.1	-174.2	-178	11.6	0	0	112.1	S158 K159 L160 L164 H165	S158-Q162 WeakPolarHBondContact O-CB 3.4Å; S158-Q162 PolarHBondContact O-N 3.34Å; K159-Q162 PolarHBondContact O-N 3.04Å; L160-Q162 VanDerWaalsContact C-N 3.28Å; L160-Q162 PolarHBondContact O-N 2.95Å; Q162-L164 VanDerWaalsContact C-N 3.33Å; Q162-L164 PolarHBondContact O-N 3.27Å; Q162-H165 PolarHBondContact O-N 3.01Å; Q162-H165 VanDerWaalsContact O-N 3.17Å; Q162-H165 PolarHBondContact O-ND1 3Å; Q162-H165 VanDerWaalsContact O-ND1 3.09Å
163	K	98.4	Very high	98.5	Very high	149 Å²	149	59.9 Å²	59.9	65%	0.648	28%	0.284	S	S	*	.	H	α-helix	trans	-58.7	-42.6	178.6	177.9	-175.7	175.1	-173.8	0	111.8	K159 L160 H165	K159-K163 VanDerWaalsContact O-CB 3.3Å; K159-K163 WeakPolarHBondContact O-CB 3.38Å; K159-K163 PolarHBondContact O-N 3.18Å; L160-K163 HydrophobicContact CD1-CD 4.49Å; L160-K163 WeakPolarHBondContact O-CB 3.42Å; L160-K163 PolarHBondContact O-N 2.96Å; K163-H165 VanDerWaalsContact C-N 3.31Å
164	L	98.2	Very high	98.5	Very high	14 Å²	14	57.3 Å²	57.3	7%	0.073	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	3.2	-179.6	-61.1	-177.7	0	0	0	113.4	V108 Y113 L160 Q162 L166	V108-L164 HydrophobicContact CG1-CD1 4.12Å; Y113-L164 HydrophobicContact CD1-CD1 4.35Å; Y113-L164 HydrophobicContact CD1-CD2 3.97Å; Y113-L164 HydrophobicContact CD2-CB 4.22Å; Y113-L164 HydrophobicContact CD2-CD1 4.05Å; Y113-L164 HydrophobicContact CE1-CD2 3.95Å; Y113-L164 HydrophobicContact CE2-CB 3.97Å; Y113-L164 HydrophobicContact CG-CD1 3.9Å; Y113-L164 HydrophobicContact CG-CD2 4.35Å; Y113-L164 PolarHBondContact OH-O 2.97Å; L160-L164 HydrophobicContact CD1-CD1 3.75Å; L160-L164 HydrophobicContact CD1-CG 3.88Å; L160-L164 HydrophobicContact CG-CD1 3.98Å; L160-L164 HydrophobicContact CG-CG 4.39Å; L160-L164 WeakPolarHBondContact O-CG 3.33Å; L160-L164 PolarHBondContact O-N 3.06Å; Q162-L164 VanDerWaalsContact C-N 3.33Å; Q162-L164 PolarHBondContact O-N 3.27Å; L164-L166 VanDerWaalsContact C-N 3.26Å; L164-L166 HydrophobicContact CB-CD1 4.21Å; L164-L166 HydrophobicContact CB-CD2 3.82Å; L164-L166 HydrophobicContact CB-CG 3.77Å; L164-L166 HydrophobicContact CD1-CD1 4.39Å; L164-L166 PolarHBondContact O-N 2.7Å
165	H	96.5	Very high	98.4	Very high	146 Å²	146	53.2 Å²	53.2	68%	0.676	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	42.6	-178.4	-53	-46.1	0	0	0	113.2	A161 Q162 K163	A161-H165 PolarHBondContact O-N 2.88Å; Q162-H165 PolarHBondContact O-N 3.01Å; Q162-H165 VanDerWaalsContact O-N 3.17Å; Q162-H165 PolarHBondContact O-ND1 3Å; Q162-H165 VanDerWaalsContact O-ND1 3.09Å; K163-H165 VanDerWaalsContact C-N 3.31Å
166	L	98.1	Very high	98.4	Very high	17 Å²	17	54.2 Å²	54.2	9%	0.089	26%	0.264	C	S	.	.			trans	-77	158	176.2	-49.7	-176.6	0	0	0	110	Y113 I125 L127 A161 L164 K168	Y113-L166 HydrophobicContact CD2-CD2 3.76Å; Y113-L166 HydrophobicContact CE2-CD2 3.63Å; I125-L166 HydrophobicContact CB-CD2 4.04Å; I125-L166 HydrophobicContact CD1-CD2 4.22Å; I125-L166 HydrophobicContact CG2-CD2 4.23Å; I125-L166 WeakPolarHBondContact O-CB 3.15Å; L127-L166 HydrophobicContact CB-CD1 3.66Å; L127-L166 HydrophobicContact CD2-CD1 4.26Å; L127-L166 HydrophobicContact CG-CD1 4.4Å; A161-L166 HydrophobicContact CB-CB 4.21Å; A161-L166 HydrophobicContact CB-CD1 4.34Å; A161-L166 PolarHBondContact O-N 3.43Å; L164-L166 VanDerWaalsContact C-N 3.26Å; L164-L166 HydrophobicContact CB-CD1 4.21Å; L164-L166 HydrophobicContact CB-CD2 3.82Å; L164-L166 HydrophobicContact CB-CG 3.77Å; L164-L166 HydrophobicContact CD1-CD1 4.39Å; L164-L166 PolarHBondContact O-N 2.7Å; L166-K168 PolarHBondContact O-N 3.49Å
167	Y	97.7	Very high	98.3	Very high	45 Å²	45	54.1 Å²	54.1	18%	0.176	26%	0.263	C	S	.	.	S	Bend	trans	-61.4	-46.6	-176.5	175.3	-98.9	0	0	0	111.6	I125 L126 E186 A190 Q195	I125-Y167 WeakPolarHBondContact O-CB 3.36Å; I125-Y167 PolarHBondContact O-N 3.09Å; L126-Y167 HydrophobicContact CD1-CD1 3.71Å; L126-Y167 HydrophobicContact CD1-CG 4.31Å; L126-Y167 HydrophobicContact CG-CD1 4.1Å; Y167-E186 WeakPolarHBondContact CE1-O 3.4Å; Y167-A190 HydrophobicContact CD1-CB 3.62Å; Y167-A190 HydrophobicContact CD2-CB 3.76Å; Y167-A190 HydrophobicContact CE1-CB 3.6Å; Y167-A190 HydrophobicContact CE2-CB 3.72Å; Y167-A190 HydrophobicContact CG-CB 3.7Å; Y167-A190 VanDerWaalsContact CZ-CA 3.41Å; Y167-A190 PolarHBondContact OH-N 3.42Å; Y167-Q195 HydrophobicContact CE2-CG 4.32Å
168	K	98	Very high	98.3	Very high	83 Å²	83	58.4 Å²	58.4	36%	0.361	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	155.6	-179.5	-153.1	166.5	-163.4	173.2	0	111.6	L127 L166 L170 E186	L127-K168 PolarHBondContact N-O 3.26Å; L166-K168 PolarHBondContact O-N 3.49Å; K168-L170 HydrophobicContact CB-CD1 4.02Å; K168-L170 HydrophobicContact CD-CD1 4.12Å; K168-L170 HydrophobicContact CG-CD1 4.04Å; K168-E186 HydrophobicContact CD-CB 4.36Å; K168-E186 HydrophobicContact CD-CG 3.95Å; K168-E186 WeakPolarHBondContact CD-OE2 3.4Å; K168-E186 IonicContact NZ-OE1 2.71Å; K168-E186 PolarHBondContact NZ-OE1 3.08Å; K168-E186 IonicContact NZ-OE2 3.13Å; K168-E186 PolarHBondContact NZ-OE2 3Å
169	Y	98.9	Very high	98.3	Very high	28 Å²	28	58.3 Å²	58.3	11%	0.11	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	131.1	164.6	175.1	-115.6	0	0	0	109.7	F97 L127 R154 S158 E171	F97-Y169 AromaticContact CE1-CE2 3.81Å; F97-Y169 HydrophobicContact CE1-CE2 3.81Å; F97-Y169 AromaticContact CZ-CE2 3.85Å; F97-Y169 HydrophobicContact CZ-CE2 3.85Å; L127-Y169 HydrophobicContact CB-CD2 4.15Å; L127-Y169 HydrophobicContact CD2-CD2 3.96Å; L127-Y169 HydrophobicContact CD2-CE2 4.42Å; L127-Y169 HydrophobicContact CG-CD2 3.9Å; L127-Y169 HydrophobicContact CG-CE2 4.35Å; L127-Y169 WeakPolarHBondContact O-CA 3.18Å; L127-Y169 WeakPolarHBondContact O-CD2 3.34Å; R154-Y169 HydrophobicContact CG-CE1 4.15Å; S158-Y169 WeakPolarHBondContact OG-CD1 3.16Å; Y169-E171 HydrophobicContact CE1-CG 3.75Å; Y169-E171 VanDerWaalsContact CE1-OE1 3.28Å; Y169-E171 WeakPolarHBondContact CE1-OE1 3.36Å; Y169-E171 HydrophobicContact CE2-CG 4.28Å; Y169-E171 VanDerWaalsContact CZ-CG 3.46Å; Y169-E171 VanDerWaalsContact CZ-OE1 3.26Å; Y169-E171 VanDerWaalsContact OH-CD 3.26Å; Y169-E171 WeakPolarHBondContact OH-CG 3.3Å; Y169-E171 PolarHBondContact OH-OE1 2.96Å
170	L	98.9	Very high	98.3	Very high	15 Å²	15	52 Å²	52	8%	0.079	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	164.5	171.7	-62.5	102.9	0	0	0	110.6	L126 L127 V128 G129 K168 Q182 V183 E186	L126-L170 HydrophobicContact CD2-CD1 3.81Å; L126-L170 HydrophobicContact CG-CD1 4.35Å; L127-L170 PolarHBondContact O-N 2.72Å; V128-L170 CarbonylContact C-O 3.51Å; V128-L170 WeakPolarHBondContact CA-O 3.32Å; G129-L170 PolarHBondContact N-O 2.7Å; K168-L170 HydrophobicContact CB-CD1 4.02Å; K168-L170 HydrophobicContact CD-CD1 4.12Å; K168-L170 HydrophobicContact CG-CD1 4.04Å; L170-Q182 HydrophobicContact CD2-CB 4.37Å; L170-V183 HydrophobicContact CB-CG2 4.12Å; L170-V183 HydrophobicContact CD2-CG2 4.37Å; L170-E186 HydrophobicContact CD1-CB 4.23Å; L170-E186 HydrophobicContact CD1-CG 4.49Å; L170-E186 HydrophobicContact CD2-CB 4.5Å; L170-E186 HydrophobicContact CD2-CG 4.06Å
171	E	98.9	Very high	98.2	Very high	17 Å²	17	54 Å²	54	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.8	173.3	-63.7	172.7	170.3	0	0	108	L99 G129 L132 R135 R154 Y169 N179	L99-E171 HydrophobicContact CD1-CB 4.16Å; L99-E171 HydrophobicContact CD1-CG 4.19Å; L99-E171 HydrophobicContact CD2-CG 4.28Å; G129-E171 CarbonylContact O-C 3.49Å; G129-E171 WeakPolarHBondContact O-CA 3.48Å; L132-E171 HydrophobicContact CD1-CB 4.34Å; L132-E171 HydrophobicContact CD2-CB 4.3Å; R135-E171 IonicContact CZ-OE1 3.61Å; R135-E171 IonicContact CZ-OE2 3.31Å; R135-E171 VanDerWaalsContact CZ-OE2 3.31Å; R135-E171 IonicContact NH1-OE1 3.64Å; R135-E171 IonicContact NH1-OE2 2.67Å; R135-E171 PolarHBondContact NH1-OE2 3.33Å; R135-E171 IonicContact NH2-OE1 3.43Å; R135-E171 PolarHBondContact NH2-OE1 3.21Å; R135-E171 IonicContact NH2-OE2 2.82Å; R135-E171 PolarHBondContact NH2-OE2 3.33Å; R135-E171 VanDerWaalsContact NH2-OE2 3.13Å; R154-E171 WeakPolarHBondContact CA-OE1 3.46Å; R154-E171 WeakPolarHBondContact CB-OE1 3.41Å; Y169-E171 HydrophobicContact CE1-CG 3.75Å; Y169-E171 VanDerWaalsContact CE1-OE1 3.28Å; Y169-E171 WeakPolarHBondContact CE1-OE1 3.36Å; Y169-E171 HydrophobicContact CE2-CG 4.28Å; Y169-E171 VanDerWaalsContact CZ-CG 3.46Å; Y169-E171 VanDerWaalsContact CZ-OE1 3.26Å; Y169-E171 VanDerWaalsContact OH-CD 3.26Å; Y169-E171 WeakPolarHBondContact OH-CG 3.3Å; Y169-E171 PolarHBondContact OH-OE1 2.96Å; E171-N179 VanDerWaalsContact O-CB 3.31Å; E171-N179 WeakPolarHBondContact O-CB 3.49Å; E171-N179 PolarHBondContact O-ND2 3.45Å
172	C	98.9	Very high	98.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.284	C	S	.	.			trans	-149.2	162.9	178.3	69	0	0	0	0	112.2	G129 T130 K131 L132 D178 N179 V183	G129-C172 PolarHBondContact O-N 3.46Å; T130-C172 CarbonylContact C-O 3.43Å; T130-C172 WeakPolarHBondContact CA-O 3.47Å; K131-C172 PolarHBondContact N-O 3.49Å; L132-C172 VanDerWaalsContact CB-C 3.49Å; L132-C172 WeakPolarHBondContact CB-O 3.49Å; L132-C172 PolarHBondContact N-O 3.33Å; L132-C172 VanDerWaalsContact N-O 3.08Å; C172-D178 CarbonylContact C-O 3.57Å; C172-D178 WeakPolarHBondContact CA-O 3.17Å; C172-D178 VanDerWaalsContact CB-O 3.26Å; C172-D178 WeakPolarHBondContact CB-O 3.28Å; C172-N179 HydrophobicContact CB-CB 4.44Å; C172-V183 HydrophobicContact CB-CG2 3.99Å
173	S	98.8	Very high	98.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.252	C	S	.	.			trans	-116.7	127.6	165.5	177.7	0	0	0	0	109.4	D133 L175 T176 Q177 D178	D133-S173 VanDerWaalsContact CG-OG 3.24Å; D133-S173 VanDerWaalsContact OD1-CB 3.29Å; D133-S173 WeakPolarHBondContact OD1-CB 3.4Å; D133-S173 PolarHBondContact OD1-OG 3.01Å; S173-L175 VanDerWaalsContact C-N 3.3Å; S173-L175 PolarHBondContact OG-N 3.12Å; S173-L175 VanDerWaalsContact OG-N 3.09Å; S173-T176 WeakPolarHBondContact CB-OG1 3.45Å; S173-T176 PolarHBondContact OG-N 2.81Å; S173-T176 PolarHBondContact OG-OG1 3.25Å; S173-Q177 CarbonylContact O-C 3.58Å; S173-Q177 WeakPolarHBondContact O-CA 3.25Å; S173-Q177 PolarHBondContact O-N 3.46Å; S173-Q177 VanDerWaalsContact O-N 3.08Å; S173-D178 PolarHBondContact N-O 2.92Å; S173-D178 PolarHBondContact O-N 3.19Å
174	A	98.4	Very high	98.2	Very high	11 Å²	11	43.4 Å²	43.4	9%	0.091	22%	0.221	C	C	.	.	S	Bend	trans	-73.2	-27.7	168.2	0	0	0	0	0	111.7	C33 M34 S37 F43	C33-A174 HydrophobicContact CB-CB 3.92Å; M34-A174 HydrophobicContact CB-CB 4.45Å; S37-A174 WeakPolarHBondContact CB-O 3.16Å; S37-A174 PolarHBondContact OG-O 2.97Å; F43-A174 HydrophobicContact CD2-CB 4.05Å; F43-A174 HydrophobicContact CE2-CB 3.96Å
175	L	97.4	Very high	98.2	Very high	93 Å²	93	45.6 Å²	45.6	49%	0.487	23%	0.231	S	C	.	.	S	Bend	trans	-74	-48.6	-177.3	177.2	63	0	0	0	111.7	F43 S173	F43-L175 HydrophobicContact CB-CD1 4.21Å; F43-L175 HydrophobicContact CD1-CD1 3.86Å; F43-L175 HydrophobicContact CD2-CB 4.01Å; F43-L175 HydrophobicContact CD2-CD1 4.22Å; F43-L175 HydrophobicContact CE1-CD1 4.26Å; F43-L175 HydrophobicContact CE2-CB 4.01Å; F43-L175 HydrophobicContact CG-CB 4.47Å; F43-L175 HydrophobicContact CG-CD1 3.82Å; F43-L175 HydrophobicContact CZ-CB 4.5Å; S173-L175 VanDerWaalsContact C-N 3.3Å; S173-L175 PolarHBondContact OG-N 3.12Å; S173-L175 VanDerWaalsContact OG-N 3.09Å
176	T	97.8	Very high	98.3	Very high	86 Å²	86	39.7 Å²	39.7	53%	0.528	20%	0.203	S	C	.	.	S	Bend	trans	-94.3	-2.5	179.9	65.9	0	0	0	0	113.1	D133 S173 D178	D133-T176 HydrophobicContact CB-CG2 4.01Å; S173-T176 WeakPolarHBondContact CB-OG1 3.45Å; S173-T176 PolarHBondContact OG-N 2.81Å; S173-T176 PolarHBondContact OG-OG1 3.25Å; T176-D178 PolarHBondContact O-N 2.85Å; T176-D178 VanDerWaalsContact O-N 3.1Å; T176-D178 WeakPolarHBondContact OG1-CB 3.47Å; T176-D178 PolarHBondContact OG1-N 2.71Å
177	Q	97.9	Very high	98.4	Very high	78 Å²	78	38.9 Å²	38.9	36%	0.364	20%	0.199	S	C	.	.			trans	57.4	13.3	-170.7	-59.9	-173.7	-40.1	0	0	114.6	S37 D41 S173 N179 L180	S37-Q177 PolarHBondContact O-NE2 3.06Å; D41-Q177 PolarHBondContact OD1-NE2 3.13Å; D41-Q177 VanDerWaalsContact OD1-NE2 3.14Å; S173-Q177 CarbonylContact O-C 3.58Å; S173-Q177 WeakPolarHBondContact O-CA 3.25Å; S173-Q177 PolarHBondContact O-N 3.46Å; S173-Q177 VanDerWaalsContact O-N 3.08Å; Q177-N179 PolarHBondContact O-N 3.39Å; Q177-L180 HydrophobicContact CB-CB 4.45Å; Q177-L180 HydrophobicContact CB-CD2 4.31Å; Q177-L180 HydrophobicContact CG-CD2 4.09Å; Q177-L180 WeakPolarHBondContact O-CB 3.38Å; Q177-L180 PolarHBondContact O-N 2.56Å
178	D	98.6	Very high	98.4	Very high	90 Å²	90	36.7 Å²	36.7	48%	0.481	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	124.3	178.3	-172.4	8.9	0	0	0	110.5	L132 C172 S173 T176 L180	L132-D178 WeakPolarHBondContact CD2-OD2 3.3Å; C172-D178 CarbonylContact C-O 3.57Å; C172-D178 WeakPolarHBondContact CA-O 3.17Å; C172-D178 VanDerWaalsContact CB-O 3.26Å; C172-D178 WeakPolarHBondContact CB-O 3.28Å; S173-D178 PolarHBondContact N-O 2.92Å; S173-D178 PolarHBondContact O-N 3.19Å; T176-D178 PolarHBondContact O-N 2.85Å; T176-D178 VanDerWaalsContact O-N 3.1Å; T176-D178 WeakPolarHBondContact OG1-CB 3.47Å; T176-D178 PolarHBondContact OG1-N 2.71Å; D178-L180 PolarHBondContact O-N 3.28Å
179	N	98.5	Very high	98.3	Very high	48 Å²	48	35.2 Å²	35.2	26%	0.257	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	14.3	-179.2	-161.2	53	0	0	0	115	E171 C172 Q177 Q182 V183	E171-N179 VanDerWaalsContact O-CB 3.31Å; E171-N179 WeakPolarHBondContact O-CB 3.49Å; E171-N179 PolarHBondContact O-ND2 3.45Å; C172-N179 HydrophobicContact CB-CB 4.44Å; Q177-N179 PolarHBondContact O-N 3.39Å; N179-Q182 PolarHBondContact O-N 2.67Å; N179-Q182 WeakPolarHBondContact OD1-CB 3.26Å; N179-Q182 WeakPolarHBondContact OD1-CG 3.45Å; N179-V183 PolarHBondContact O-N 3.1Å
180	L	98.4	Very high	98.3	Very high	4 Å²	4	34 Å²	34	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-49.9	-174.9	-178.2	62.3	0	0	0	111.7	M34 S37 Q177 D178 Q182 V183 F184	M34-L180 HydrophobicContact CB-CD1 4.3Å; M34-L180 HydrophobicContact CG-CD1 3.36Å; S37-L180 WeakPolarHBondContact OG-CD2 3.25Å; Q177-L180 HydrophobicContact CB-CB 4.45Å; Q177-L180 HydrophobicContact CB-CD2 4.31Å; Q177-L180 HydrophobicContact CG-CD2 4.09Å; Q177-L180 WeakPolarHBondContact O-CB 3.38Å; Q177-L180 PolarHBondContact O-N 2.56Å; D178-L180 PolarHBondContact O-N 3.28Å; L180-Q182 PolarHBondContact O-N 3.2Å; L180-V183 WeakPolarHBondContact O-CB 3.42Å; L180-V183 PolarHBondContact O-N 3.19Å; L180-F184 HydrophobicContact CD1-CE2 3.84Å; L180-F184 HydrophobicContact CG-CE2 4.24Å; L180-F184 VanDerWaalsContact O-CD2 3.25Å; L180-F184 WeakPolarHBondContact O-CD2 3.44Å
181	S	97.3	Very high	98.1	Very high	56 Å²	56	34 Å²	34	39%	0.392	18%	0.179	S	C	.	.	H	α-helix	trans	-59.2	-35.8	177.6	-76	0	0	0	0	112.3	V183 F184 Q185	S181-V183 VanDerWaalsContact C-N 3.33Å; S181-V183 PolarHBondContact O-N 3.01Å; S181-F184 PolarHBondContact O-N 3.19Å; S181-Q185 WeakPolarHBondContact O-CG 3.49Å; S181-Q185 PolarHBondContact O-N 3.16Å
182	Q	98.5	Very high	97.9	Very high	80 Å²	80	34.8 Å²	34.8	37%	0.374	18%	0.184	S	C	.	.	H	α-helix	trans	-67.3	-33.2	-178.2	-72.4	66.7	23.2	0	0	111.8	L170 N179 L180 F184 Q185 E186	L170-Q182 HydrophobicContact CD2-CB 4.37Å; N179-Q182 PolarHBondContact O-N 2.67Å; N179-Q182 WeakPolarHBondContact OD1-CB 3.26Å; N179-Q182 WeakPolarHBondContact OD1-CG 3.45Å; L180-Q182 PolarHBondContact O-N 3.2Å; Q182-F184 VanDerWaalsContact C-N 3.35Å; Q182-F184 PolarHBondContact O-N 2.91Å; Q182-Q185 PolarHBondContact O-N 3.21Å; Q182-E186 WeakPolarHBondContact O-CB 3.34Å; Q182-E186 VanDerWaalsContact O-CG 3.25Å; Q182-E186 WeakPolarHBondContact O-CG 3.49Å; Q182-E186 PolarHBondContact O-N 3.48Å
183	V	98.8	Very high	97.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.3	-50	173.1	170.1	0	0	0	0	110.7	M34 I94 V128 L170 C172 N179 L180 S181 E186 A187	M34-V183 HydrophobicContact SD-CG1 4.33Å; I94-V183 HydrophobicContact CD1-CG1 3.82Å; I94-V183 HydrophobicContact CG1-CG1 4.45Å; I94-V183 HydrophobicContact CG2-CG1 4.42Å; V128-V183 HydrophobicContact CG1-CG1 4.48Å; V128-V183 HydrophobicContact CG1-CG2 4.03Å; V128-V183 HydrophobicContact CG2-CG1 3.85Å; V128-V183 HydrophobicContact CG2-CG2 4.26Å; L170-V183 HydrophobicContact CB-CG2 4.12Å; L170-V183 HydrophobicContact CD2-CG2 4.37Å; C172-V183 HydrophobicContact CB-CG2 3.99Å; N179-V183 PolarHBondContact O-N 3.1Å; L180-V183 WeakPolarHBondContact O-CB 3.42Å; L180-V183 PolarHBondContact O-N 3.19Å; S181-V183 VanDerWaalsContact C-N 3.33Å; S181-V183 PolarHBondContact O-N 3.01Å; V183-E186 PolarHBondContact O-N 2.79Å; V183-A187 PolarHBondContact O-N 3.26Å
184	F	98.5	Very high	96.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-73.8	-35.2	-178.1	-60.6	-76.1	0	0	0	112.9	M34 L35 Y38 L59 L68 L70 I94 L180 S181 Q182 E186 A187 V188	M34-F184 HydrophobicContact CE-CZ 4.15Å; M34-F184 HydrophobicContact CG-CE2 4.29Å; M34-F184 HydrophobicContact CG-CZ 4.06Å; M34-F184 HydrophobicContact SD-CZ 4.49Å; L35-F184 HydrophobicContact CD2-CE1 3.8Å; L35-F184 HydrophobicContact CD2-CZ 3.97Å; Y38-F184 HydrophobicContact CD1-CD1 4.16Å; Y38-F184 AromaticContact CD1-CD2 3.66Å; Y38-F184 HydrophobicContact CD1-CD2 3.66Å; Y38-F184 HydrophobicContact CD1-CE1 4.16Å; Y38-F184 AromaticContact CD1-CE2 3.69Å; Y38-F184 HydrophobicContact CD1-CE2 3.69Å; Y38-F184 AromaticContact CD1-CG 3.9Å; Y38-F184 HydrophobicContact CD1-CG 3.9Å; Y38-F184 AromaticContact CD1-CZ 3.93Å; Y38-F184 HydrophobicContact CD1-CZ 3.93Å; Y38-F184 AromaticContact CD2-CD2 3.33Å; Y38-F184 HydrophobicContact CD2-CD2 3.33Å; Y38-F184 AromaticContact CD2-CE2 3.67Å; Y38-F184 HydrophobicContact CD2-CE2 3.67Å; Y38-F184 HydrophobicContact CD2-CG 4.14Å; Y38-F184 HydrophobicContact CE1-CB 4.16Å; Y38-F184 HydrophobicContact CE1-CD1 4.18Å; Y38-F184 AromaticContact CE1-CD2 3.94Å; Y38-F184 HydrophobicContact CE1-CD2 3.94Å; Y38-F184 HydrophobicContact CE1-CE2 4.42Å; Y38-F184 AromaticContact CE1-CG 3.81Å; Y38-F184 HydrophobicContact CE1-CG 3.81Å; Y38-F184 HydrophobicContact CE2-CB 4.1Å; Y38-F184 AromaticContact CE2-CD2 3.63Å; Y38-F184 HydrophobicContact CE2-CD2 3.63Å; Y38-F184 HydrophobicContact CE2-CE2 4.4Å; Y38-F184 HydrophobicContact CE2-CG 4.05Å; Y38-F184 AromaticContact CG-CD2 3.34Å; Y38-F184 HydrophobicContact CG-CD2 3.34Å; Y38-F184 AromaticContact CG-CE2 3.26Å; Y38-F184 HydrophobicContact CG-CE2 3.26Å; Y38-F184 HydrophobicContact CG-CG 4.07Å; Y38-F184 AromaticContact CG-CZ 3.9Å; Y38-F184 HydrophobicContact CG-CZ 3.9Å; Y38-F184 AromaticContact CZ-CD2 3.93Å; Y38-F184 AromaticContact CZ-CG 3.89Å; L59-F184 HydrophobicContact CD2-CB 4.16Å; L68-F184 HydrophobicContact CD2-CB 4.06Å; L68-F184 HydrophobicContact CD2-CD1 4.11Å; L68-F184 HydrophobicContact CD2-CG 4.47Å; L70-F184 HydrophobicContact CD1-CE1 4.22Å; L70-F184 HydrophobicContact CD2-CD1 3.79Å; L70-F184 HydrophobicContact CD2-CE1 3.71Å; I94-F184 HydrophobicContact CD1-CD1 4.1Å; I94-F184 HydrophobicContact CD1-CE1 3.99Å; L180-F184 HydrophobicContact CD1-CE2 3.84Å; L180-F184 HydrophobicContact CG-CE2 4.24Å; L180-F184 VanDerWaalsContact O-CD2 3.25Å; L180-F184 WeakPolarHBondContact O-CD2 3.44Å; S181-F184 PolarHBondContact O-N 3.19Å; Q182-F184 VanDerWaalsContact C-N 3.35Å; Q182-F184 PolarHBondContact O-N 2.91Å; F184-E186 VanDerWaalsContact C-N 3.34Å; F184-E186 PolarHBondContact O-N 3.44Å; F184-A187 PolarHBondContact O-N 3.32Å; F184-V188 PolarHBondContact O-N 2.91Å
185	Q	98.3	Very high	95.4	Very high	60 Å²	60	52.1 Å²	52.1	28%	0.28	27%	0.265	S	S	.	.	H	α-helix	trans	-61.5	-42.9	172.5	-70.9	176.1	14.8	0	0	111.7	L59 V61 S181 Q182 V188 R189	L59-Q185 HydrophobicContact CD1-CG 4.46Å; L59-Q185 HydrophobicContact CD2-CG 4.45Å; V61-Q185 HydrophobicContact CG2-CB 4.21Å; V61-Q185 HydrophobicContact CG2-CG 4.14Å; S181-Q185 WeakPolarHBondContact O-CG 3.49Å; S181-Q185 PolarHBondContact O-N 3.16Å; Q182-Q185 PolarHBondContact O-N 3.21Å; Q185-V188 PolarHBondContact O-N 3.09Å; Q185-R189 VanDerWaalsContact O-CB 3.3Å; Q185-R189 WeakPolarHBondContact O-CB 3.48Å; Q185-R189 PolarHBondContact O-N 3.01Å
186	E	98.5	Very high	93.8	Very high	22 Å²	22	53.6 Å²	53.6	10%	0.103	28%	0.281	C	S	.	.	H	α-helix	trans	-70.5	-33.1	176.9	-69.6	-66.3	153.6	0	0	112.5	L126 Y167 K168 L170 Q182 V183 F184 R189 A190	L126-E186 HydrophobicContact CD2-CB 3.77Å; Y167-E186 WeakPolarHBondContact CE1-O 3.4Å; K168-E186 HydrophobicContact CD-CB 4.36Å; K168-E186 HydrophobicContact CD-CG 3.95Å; K168-E186 WeakPolarHBondContact CD-OE2 3.4Å; K168-E186 IonicContact NZ-OE1 2.71Å; K168-E186 PolarHBondContact NZ-OE1 3.08Å; K168-E186 IonicContact NZ-OE2 3.13Å; K168-E186 PolarHBondContact NZ-OE2 3Å; L170-E186 HydrophobicContact CD1-CB 4.23Å; L170-E186 HydrophobicContact CD1-CG 4.49Å; L170-E186 HydrophobicContact CD2-CB 4.5Å; L170-E186 HydrophobicContact CD2-CG 4.06Å; Q182-E186 WeakPolarHBondContact O-CB 3.34Å; Q182-E186 VanDerWaalsContact O-CG 3.25Å; Q182-E186 WeakPolarHBondContact O-CG 3.49Å; Q182-E186 PolarHBondContact O-N 3.48Å; V183-E186 PolarHBondContact O-N 2.79Å; F184-E186 VanDerWaalsContact C-N 3.34Å; F184-E186 PolarHBondContact O-N 3.44Å; E186-R189 PolarHBondContact O-N 3.46Å; E186-R189 IonicContact OE1-CZ 3.74Å; E186-R189 IonicContact OE1-NH1 3.9Å; E186-R189 PolarHBondContact OE1-NH1 2.87Å; E186-A190 WeakPolarHBondContact O-CB 3.34Å; E186-A190 PolarHBondContact O-N 2.74Å
187	A	98.5	Very high	92	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.1	-46.7	172.5	0	0	0	0	0	111	V92 I94 L126 V183 F184 A190	V92-A187 HydrophobicContact CG1-CB 4.1Å; V92-A187 HydrophobicContact CG2-CB 4.24Å; I94-A187 HydrophobicContact CD1-CB 4.22Å; I94-A187 HydrophobicContact CG1-CB 4.34Å; L126-A187 HydrophobicContact CD2-CB 4.08Å; V183-A187 PolarHBondContact O-N 3.26Å; F184-A187 PolarHBondContact O-N 3.32Å; A187-A190 WeakPolarHBondContact O-CB 3.46Å; A187-A190 PolarHBondContact O-N 2.92Å
188	V	97.9	Very high	90.1	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-64.2	-43.1	174.2	167.6	0	0	0	0	111.4	I19 L59 V61 V66 L68 F184 Q185 A190 V191 L192	I19-V188 HydrophobicContact CD1-CB 4.42Å; I19-V188 HydrophobicContact CD1-CG1 3.95Å; I19-V188 HydrophobicContact CD1-CG2 4.28Å; L59-V188 HydrophobicContact CD2-CG2 3.89Å; V61-V188 HydrophobicContact CB-CB 4.49Å; V61-V188 HydrophobicContact CB-CG1 3.86Å; V61-V188 HydrophobicContact CG2-CB 3.87Å; V61-V188 HydrophobicContact CG2-CG1 3.65Å; V66-V188 HydrophobicContact CG1-CG1 4.47Å; V66-V188 HydrophobicContact CG2-CG1 3.88Å; V66-V188 HydrophobicContact CG2-CG2 3.88Å; L68-V188 HydrophobicContact CD1-CG2 4.01Å; L68-V188 HydrophobicContact CD2-CG2 4.22Å; F184-V188 PolarHBondContact O-N 2.91Å; Q185-V188 PolarHBondContact O-N 3.09Å; V188-A190 VanDerWaalsContact C-N 3.25Å; V188-A190 PolarHBondContact O-N 3.35Å; V188-V191 PolarHBondContact O-N 3.36Å; V188-L192 HydrophobicContact CG1-CD1 3.57Å; V188-L192 HydrophobicContact CG1-CG 3.91Å; V188-L192 WeakPolarHBondContact O-CG 3.45Å; V188-L192 PolarHBondContact O-N 3.48Å
189	R	97.4	Very high	87.7	Confident	51 Å²	51	60.8 Å²	60.8	19%	0.192	33%	0.327	C	S	.	.	H	α-helix	trans	-62.2	-32.3	179.3	-161.4	176	-85.5	127.3	-1.4	112.1	V61 D62 Q185 E186 V191 R193	V61-R189 HydrophobicContact CG1-CB 4.34Å; D62-R189 IonicContact OD1-CZ 2.91Å; D62-R189 IonicContact OD1-NE 2.71Å; D62-R189 IonicContact OD1-NH2 3.63Å; D62-R189 PolarHBondContact OD1-NH2 3.31Å; D62-R189 IonicContact OD2-CZ 2.7Å; D62-R189 IonicContact OD2-NE 3.58Å; D62-R189 PolarHBondContact OD2-NE 2.84Å; D62-R189 IonicContact OD2-NH2 3.52Å; D62-R189 PolarHBondContact OD2-NH2 2.86Å; Q185-R189 VanDerWaalsContact O-CB 3.3Å; Q185-R189 WeakPolarHBondContact O-CB 3.48Å; Q185-R189 PolarHBondContact O-N 3.01Å; E186-R189 PolarHBondContact O-N 3.46Å; E186-R189 IonicContact OE1-CZ 3.74Å; E186-R189 IonicContact OE1-NH1 3.9Å; E186-R189 PolarHBondContact OE1-NH1 2.87Å; R189-V191 VanDerWaalsContact C-N 3.26Å; R189-V191 PolarHBondContact O-N 2.85Å; R189-R193 PolarHBondContact O-N 3.24Å
190	A	97.4	Very high	85.5	Confident	3 Å²	3	69.3 Å²	69.3	3%	0.025	36%	0.356	C	S	.	.	H	α-helix	trans	-61.4	-33.5	174.2	0	0	0	0	0	113.4	V92 P124 L126 Y167 E186 A187 V188	V92-A190 HydrophobicContact CG2-CB 4.28Å; P124-A190 HydrophobicContact CB-CB 4.03Å; P124-A190 HydrophobicContact CG-CB 4.23Å; L126-A190 HydrophobicContact CD1-CB 4.1Å; Y167-A190 HydrophobicContact CD1-CB 3.62Å; Y167-A190 HydrophobicContact CD2-CB 3.76Å; Y167-A190 HydrophobicContact CE1-CB 3.6Å; Y167-A190 HydrophobicContact CE2-CB 3.72Å; Y167-A190 HydrophobicContact CG-CB 3.7Å; Y167-A190 VanDerWaalsContact CZ-CA 3.41Å; Y167-A190 PolarHBondContact OH-N 3.42Å; E186-A190 WeakPolarHBondContact O-CB 3.34Å; E186-A190 PolarHBondContact O-N 2.74Å; A187-A190 WeakPolarHBondContact O-CB 3.46Å; A187-A190 PolarHBondContact O-N 2.92Å; V188-A190 VanDerWaalsContact C-N 3.25Å; V188-A190 PolarHBondContact O-N 3.35Å
191	V	96.5	Very high	83.2	Confident	15 Å²	15	80.6 Å²	80.6	9%	0.091	40%	0.398	C	S	.	.	H	α-helix	trans	-88.1	-36.9	-179.1	178.6	0	0	0	0	111.8	R17 I19 D91 V92 V188 R189	R17-V191 PolarHBondContact NH2-O 3.24Å; I19-V191 HydrophobicContact CD1-CB 4.01Å; I19-V191 HydrophobicContact CD1-CG1 3.89Å; I19-V191 HydrophobicContact CG1-CG1 4.08Å; I19-V191 HydrophobicContact CG2-CB 4.39Å; I19-V191 HydrophobicContact CG2-CG1 4.38Å; I19-V191 HydrophobicContact CG2-CG2 3.98Å; D91-V191 HydrophobicContact CB-CG1 4.03Å; D91-V191 HydrophobicContact CB-CG2 3.78Å; D91-V191 WeakPolarHBondContact O-CG2 3.24Å; V92-V191 HydrophobicContact CB-CG2 3.7Å; V92-V191 HydrophobicContact CG1-CG2 3.86Å; V188-V191 PolarHBondContact O-N 3.36Å; R189-V191 VanDerWaalsContact C-N 3.26Å; R189-V191 PolarHBondContact O-N 2.85Å
192	L	94.3	Very high	80.8	Confident	34 Å²	34	88.7 Å²	88.7	18%	0.178	42%	0.42	C	S	.	.	H	α-helix	trans	-76.1	-31	-179.6	-65.8	-175.1	0	0	0	112.9	I19 N64 V66 V188	I19-L192 HydrophobicContact CD1-CD2 4.15Å; I19-L192 HydrophobicContact CD1-CG 4.35Å; N64-L192 HydrophobicContact CB-CD1 3.65Å; V66-L192 HydrophobicContact CG1-CD1 4.46Å; V66-L192 HydrophobicContact CG1-CD2 4.26Å; V188-L192 HydrophobicContact CG1-CD1 3.57Å; V188-L192 HydrophobicContact CG1-CG 3.91Å; V188-L192 WeakPolarHBondContact O-CG 3.45Å; V188-L192 PolarHBondContact O-N 3.48Å
193	R	89.1	Confident	78.2	Confident	146 Å²	146	90.4 Å²	90.4	55%	0.551	44%	0.44	S	S	*	.	S	Bend	trans	-129.8	69.3	-178.7	-61.4	-176.4	-177.4	-179.1	2.6	109.9	D62 R189 Q195	D62-R193 IonicContact OD2-CZ 3.63Å; D62-R193 IonicContact OD2-NE 2.73Å; D62-R193 IonicContact OD2-NH1 3.89Å; D62-R193 IonicContact OD2-NH2 2.74Å; R189-R193 PolarHBondContact O-N 3.24Å; R193-Q195 PolarHBondContact O-N 3.47Å
194	P	79.8	Confident	76	Confident	99 Å²	99	97 Å²	97	64%	0.643	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-59.2	129.4	179.6	24.8	-32.9	0	0	0	109.6
195	Q	74.1	Confident	73.5	Confident	130 Å²	130	105 Å²	105	61%	0.607	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-69.2	141.9	174	-66.5	-174.7	12.3	0	0	109	Y167 R193 A197	Y167-Q195 HydrophobicContact CE2-CG 4.32Å; R193-Q195 PolarHBondContact O-N 3.47Å; Q195-A197 PolarHBondContact O-N 3.37Å
196	P	64.4	Low	71.4	Confident	124 Å²	124	114.4 Å²	114.4	81%	0.805	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-53.7	128.1	174.9	-21.2	30	0	0	0	109.9	K198	P196-K198 PolarHBondContact O-N 3.2Å; P196-K198 VanDerWaalsContact O-N 3.09Å
197	A	59.6	Low	70	Confident	93 Å²	93	119 Å²	119	77%	0.769	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-55.3	121.6	175.3	0	0	0	0	0	108.5	Q195 T199	Q195-A197 PolarHBondContact O-N 3.37Å; A197-T199 PolarHBondContact O-N 3.49Å
198	K	58.1	Low	68.5	Low	183 Å²	183	125.3 Å²	125.3	80%	0.796	61%	0.61	S	S	*	*			trans	-62.1	109.4	169.6	-70.7	-175.6	-179.2	177.9	0	106.1	P196 R200	P196-K198 PolarHBondContact O-N 3.2Å; P196-K198 VanDerWaalsContact O-N 3.09Å; K198-R200 PolarHBondContact O-N 3.16Å
199	T	47.8	Very low	66.9	Low	129 Å²	129	132.2 Å²	132.2	79%	0.791	64%	0.644	S	S	*	*			trans	-47.2	112.9	177.3	43	0	0	0	0	108.4	A197 R201	A197-T199 PolarHBondContact O-N 3.49Å; T199-R201 PolarHBondContact O-N 3.38Å
200	R	52.6	Low	65.1	Low	226 Å²	226	137 Å²	137	85%	0.853	67%	0.67	S	S	*	*			trans	-55	112.3	168.2	-76	-173.6	180	-176.3	2.5	105.2	K198 R202	K198-R200 PolarHBondContact O-N 3.16Å; R200-R202 PolarHBondContact O-N 2.91Å
201	R	49	Very low	63	Low	242 Å²	242	145.4 Å²	145.4	91%	0.913	71%	0.71	S	S	*	*			trans	-58.1	101.1	166.5	-73	-174.4	177.2	-174.3	-1.1	104.5	T199 C203	T199-R201 PolarHBondContact O-N 3.38Å; R201-C203 VanDerWaalsContact C-N 3.31Å; R201-C203 PolarHBondContact O-N 2.98Å
202	R	47.3	Very low	60.8	Low	225 Å²	225	154.1 Å²	154.1	85%	0.849	75%	0.752	S	S	*	*			trans	-53.6	108.2	166.3	-91	-178.3	172.3	177.1	-2.5	104	R200 L204	R200-R202 PolarHBondContact O-N 2.91Å; R202-L204 VanDerWaalsContact C-N 3.3Å; R202-L204 PolarHBondContact O-N 3.27Å
203	C	43.8	Very low	58.4	Low	117 Å²	117	162.6 Å²	162.6	79%	0.791	79%	0.793	S	S	*	*			trans	-62.3	103.7	171.3	-140.3	0	0	0	0	104.4	R201 L205	R201-C203 VanDerWaalsContact C-N 3.31Å; R201-C203 PolarHBondContact O-N 2.98Å; C203-L205 VanDerWaalsContact C-N 3.28Å; C203-L205 PolarHBondContact O-N 2.96Å
204	L	52.9	Low	56.1	Low	138 Å²	138	163.9 Å²	163.9	72%	0.723	81%	0.811	S	S	*	*			trans	-69.2	96.7	170.5	-71.1	164.5	0	0	0	104.9	R202 F206	R202-L204 VanDerWaalsContact C-N 3.3Å; R202-L204 PolarHBondContact O-N 3.27Å; L204-F206 HydrophobicContact CB-CD2 4.32Å; L204-F206 HydrophobicContact CB-CE2 4.03Å; L204-F206 PolarHBondContact O-N 3.48Å
205	L	47.3	Very low	54.1	Low	168 Å²	168	169.3 Å²	169.3	88%	0.88	83%	0.825	S	S	*	*			trans	-67.8	109.1	163.9	-72.3	164.1	0	0	0	105.9	C203	C203-L205 VanDerWaalsContact C-N 3.28Å; C203-L205 PolarHBondContact O-N 2.96Å
206	F	52.3	Low	52.3	Low	257 Å²	257	172.9 Å²	172.9	100%	1.127	85%	0.845	S	S	*	*			trans	-92.2	0	157.4	-73.6	-82.7	0	0	0	108.2	L204	L204-F206 HydrophobicContact CB-CD2 4.32Å; L204-F206 HydrophobicContact CB-CE2 4.03Å; L204-F206 PolarHBondContact O-N 3.48Å

Retrieved 206 of 206 residues in 145.4 ms (Link to these results)

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