A0A077ZF44_TRITR Loading...

Phosphomevalonate kinase

AlphaFold DB , UniProt , Accession A0A077ZF44, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 214 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	91.8	Very high	95.2	Very high	16 Å²	16	21.8 Å²	21.8	8%	0.079	11%	0.11	C	C	.	.				0	127.7	0	172	163.1	-74.6	0	0	109.3	L3 W107 I109 F121 F125 L130 V131 M132	M1-L3 HydrophobicContact CG-CD2 3.7Å; M1-L3 HydrophobicContact CG-CG 4.38Å; M1-L3 HydrophobicContact SD-CD2 3.74Å; M1-W107 CarbonylContact C-O 3.54Å; M1-W107 VanDerWaalsContact CA-O 3.23Å; M1-W107 WeakPolarHBondContact CA-O 3.37Å; M1-W107 HydrophobicContact CB-CB 4.42Å; M1-W107 HydrophobicContact CE-CB 3.68Å; M1-W107 HydrophobicContact CE-CG 4.07Å; M1-I109 HydrophobicContact CE-CD1 3.82Å; M1-I109 HydrophobicContact CE-CG1 3.97Å; M1-I109 HydrophobicContact CG-CG1 4.12Å; M1-I109 HydrophobicContact SD-CG1 4.07Å; M1-F121 HydrophobicContact CE-CD1 4.01Å; M1-F121 HydrophobicContact SD-CB 3.8Å; M1-F121 HydrophobicContact SD-CD1 4.05Å; M1-F121 HydrophobicContact SD-CG 4.3Å; M1-F125 HydrophobicContact CE-CD1 4.4Å; M1-F125 HydrophobicContact CE-CD2 3.34Å; M1-F125 HydrophobicContact CE-CE1 4.06Å; M1-F125 HydrophobicContact CE-CE2 2.96Å; M1-F125 HydrophobicContact CE-CG 4.09Å; M1-F125 HydrophobicContact CE-CZ 3.34Å; M1-F125 HydrophobicContact SD-CD2 3.78Å; M1-F125 HydrophobicContact SD-CE2 3.96Å; M1-L130 PolarHBondContact N-O 3.44Å; M1-V131 HydrophobicContact CB-CG2 4.38Å; M1-V131 HydrophobicContact CG-CG1 4.33Å; M1-V131 WeakPolarHBondContact O-CA 3.04Å; M1-M132 PolarHBondContact O-N 3.13Å
2	L	95.4	Very high	95.2	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.2	178.5	-49.6	-175.9	0	0	0	108	L19 L23 V106 W107 I108 I109 M132 L134 I191	L2-L19 HydrophobicContact CD1-CD1 4.29Å; L2-L23 HydrophobicContact CD1-CD1 4.17Å; L2-V106 HydrophobicContact CD1-CG1 4.07Å; L2-V106 HydrophobicContact CG-CG1 4.05Å; L2-W107 PolarHBondContact N-O 3.14Å; L2-I108 HydrophobicContact CD1-CD1 4.49Å; L2-I108 HydrophobicContact CD1-CG1 4.2Å; L2-I109 PolarHBondContact O-N 2.92Å; L2-M132 CarbonylContact C-O 3.25Å; L2-M132 WeakPolarHBondContact CA-O 3.45Å; L2-M132 HydrophobicContact CD2-CB 4.15Å; L2-M132 HydrophobicContact CD2-CE 3.34Å; L2-L134 HydrophobicContact CB-CD1 3.97Å; L2-L134 HydrophobicContact CD1-CD1 4.22Å; L2-L134 HydrophobicContact CD2-CD1 4.41Å; L2-L134 HydrophobicContact CG-CD1 4.44Å; L2-I191 HydrophobicContact CD1-CD1 4.01Å; L2-I191 HydrophobicContact CD2-CD1 3.84Å; L2-I191 HydrophobicContact CD2-CG1 4.5Å
3	L	95.8	Very high	95.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	105.7	178.2	-52.3	-177.5	0	0	0	108.4	M1 I109 I118 F121 E122 V131 M132 R133 L134	M1-L3 HydrophobicContact CG-CD2 3.7Å; M1-L3 HydrophobicContact CG-CG 4.38Å; M1-L3 HydrophobicContact SD-CD2 3.74Å; L3-I109 HydrophobicContact CD2-CB 3.79Å; L3-I109 HydrophobicContact CD2-CG1 3.52Å; L3-I109 HydrophobicContact CD2-CG2 4.41Å; L3-I118 HydrophobicContact CB-CD1 3.89Å; L3-I118 HydrophobicContact CD1-CD1 3.99Å; L3-I118 HydrophobicContact CD1-CG2 4.04Å; L3-F121 HydrophobicContact CD1-CB 4.31Å; L3-F121 HydrophobicContact CD2-CB 3.55Å; L3-F121 HydrophobicContact CD2-CD2 4.39Å; L3-F121 HydrophobicContact CD2-CG 4.03Å; L3-E122 HydrophobicContact CD1-CG 4.04Å; L3-V131 HydrophobicContact CD1-CG1 3.86Å; L3-V131 HydrophobicContact CG-CG1 4.09Å; L3-M132 PolarHBondContact N-O 2.66Å; L3-R133 HydrophobicContact CD1-CG 4.32Å; L3-L134 PolarHBondContact O-N 2.92Å
4	L	97.4	Very high	95.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.7	-170	-166.5	70.5	0	0	0	111.2	K12 V15 A16 L19 I109 C112 L134 V136	L4-K12 HydrophobicContact CD2-CD 4.5Å; L4-K12 HydrophobicContact CD2-CG 3.64Å; L4-K12 HydrophobicContact CG-CD 4.32Å; L4-K12 HydrophobicContact CG-CG 3.78Å; L4-V15 HydrophobicContact CD1-CG1 4.37Å; L4-A16 HydrophobicContact CD2-CB 3.73Å; L4-L19 HydrophobicContact CD1-CD1 4.36Å; L4-I109 WeakPolarHBondContact CB-O 3.42Å; L4-I109 PolarHBondContact N-O 3.28Å; L4-C112 PolarHBondContact O-N 2.98Å; L4-L134 HydrophobicContact CD1-CB 3.64Å; L4-L134 HydrophobicContact CD1-CD1 4.27Å; L4-V136 HydrophobicContact CD1-CG2 3.55Å; L4-V136 HydrophobicContact CG-CG2 4.18Å
5	A	96.9	Very high	95.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	157.9	174.2	0	0	0	0	0	111.4	C112 L134 R135 V136 L163 W169	A5-C112 HydrophobicContact CB-CB 4.25Å; A5-C112 WeakPolarHBondContact CB-O 3.37Å; A5-L134 PolarHBondContact N-O 2.98Å; A5-R135 WeakPolarHBondContact O-CA 3.45Å; A5-V136 PolarHBondContact O-N 2.89Å; A5-L163 HydrophobicContact CB-CD1 3.79Å; A5-W169 HydrophobicContact CB-CH2 3.35Å; A5-W169 HydrophobicContact CB-CZ2 4.22Å; A5-W169 HydrophobicContact CB-CZ3 3.87Å
6	G	95.8	Very high	95.6	Very high	9 Å²	9	26.9 Å²	26.9	9%	0.093	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.4	146.9	177.4	0	0	0	0	0	111.8	V136	G6-V136 WeakPolarHBondContact CA-O 3.45Å
7	K	94.5	Very high	95.8	Very high	61 Å²	61	29.1 Å²	29.1	27%	0.265	15%	0.149	S	C	.	.			trans	-71.6	161.2	-176.8	-64.8	-170.3	173.1	-175.6	0	112.9	K9 S10 E160 D164	K7-K9 PolarHBondContact O-N 3.2Å; K7-S10 VanDerWaalsContact O-CB 3.24Å; K7-S10 WeakPolarHBondContact O-CB 3.38Å; K7-S10 PolarHBondContact O-N 2.74Å; K7-S10 PolarHBondContact O-OG 2.94Å; K7-E160 VanDerWaalsContact CA-OE2 3.29Å; K7-E160 WeakPolarHBondContact CA-OE2 3.31Å; K7-E160 WeakPolarHBondContact CE-O 3.42Å; K7-D164 VanDerWaalsContact CE-CG 3.47Å; K7-D164 WeakPolarHBondContact CE-OD1 3.28Å; K7-D164 VanDerWaalsContact CE-OD2 3.25Å; K7-D164 WeakPolarHBondContact CE-OD2 3.48Å; K7-D164 VanDerWaalsContact NZ-CG 3.3Å; K7-D164 IonicContact NZ-OD1 2.9Å; K7-D164 PolarHBondContact NZ-OD1 3.45Å; K7-D164 IonicContact NZ-OD2 3.75Å; K7-D164 PolarHBondContact NZ-OD2 2.95Å
8	R	92.7	Very high	95.9	Very high	42 Å²	42	28.2 Å²	28.2	16%	0.158	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	129.8	173	-162.5	175.8	65.9	105.7	-1.4	110.4	S10 R143 W148 I149 D155 E160	R8-S10 PolarHBondContact O-N 3.27Å; R8-R143 PolarHBondContact O-NE 2.88Å; R8-R143 PolarHBondContact O-NH2 2.87Å; R8-W148 VanDerWaalsContact NH2-CD1 3.32Å; R8-I149 PolarHBondContact NH2-O 3.49Å; R8-D155 IonicContact CZ-OD1 3.18Å; R8-D155 IonicContact CZ-OD2 3.29Å; R8-D155 IonicContact NE-OD1 3.49Å; R8-D155 PolarHBondContact NE-OD1 3.12Å; R8-D155 IonicContact NE-OD2 2.62Å; R8-D155 IonicContact NH2-OD1 3.63Å; R8-D155 PolarHBondContact NH2-OD1 2.98Å; R8-D155 IonicContact NH2-OD2 3.75Å; R8-D155 PolarHBondContact NH2-OD2 3.46Å; R8-E160 PolarHBondContact N-OE2 2.96Å
9	K	93.9	Very high	96	Very high	89 Å²	89	26.7 Å²	26.7	39%	0.387	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	11.7	-177.7	-54.7	-66.9	-168.1	153.8	0	116	K7 G11 R143 R146 W148	K7-K9 PolarHBondContact O-N 3.2Å; K9-G11 PolarHBondContact O-N 3.42Å; K9-R143 HydrophobicContact CB-CB 4.35Å; K9-R146 HydrophobicContact CB-CB 4.47Å; K9-R146 WeakPolarHBondContact CD-O 3.41Å; K9-R146 WeakPolarHBondContact CE-O 3.35Å; K9-R146 PolarHBondContact NZ-O 2.69Å; K9-R146 WeakPolarHBondContact O-CD 3.47Å; K9-R146 PolarHBondContact O-NH1 2.68Å; K9-W148 HydrophobicContact CB-CB 3.81Å; K9-W148 HydrophobicContact CB-CG 4.24Å; K9-W148 HydrophobicContact CG-CB 3.73Å; K9-W148 HydrophobicContact CG-CG 4.19Å
10	S	96.4	Very high	96.1	Very high	1 Å²	1	28 Å²	28	1%	0.007	14%	0.142	C	C	.	.	S	Bend	trans	-69.1	-15.6	167.4	75.3	0	0	0	0	113.1	K7 R8 K12 V136 R146 N175	K7-S10 VanDerWaalsContact O-CB 3.24Å; K7-S10 WeakPolarHBondContact O-CB 3.38Å; K7-S10 PolarHBondContact O-N 2.74Å; K7-S10 PolarHBondContact O-OG 2.94Å; R8-S10 PolarHBondContact O-N 3.27Å; S10-K12 PolarHBondContact OG-N 3.42Å; S10-V136 WeakPolarHBondContact CB-O 3.37Å; S10-V136 PolarHBondContact OG-O 3.05Å; S10-R146 PolarHBondContact O-NH1 3.16Å; S10-N175 WeakPolarHBondContact O-CB 3.41Å; S10-N175 PolarHBondContact O-ND2 3.07Å
11	G	96.2	Very high	96.2	Very high	21 Å²	21	31.7 Å²	31.7	22%	0.216	16%	0.159	C	C	.	.			trans	81.5	26.4	-176.3	0	0	0	0	0	113.2	K9 D13 F14 V15 N175	K9-G11 PolarHBondContact O-N 3.42Å; G11-D13 VanDerWaalsContact C-N 3.31Å; G11-D13 PolarHBondContact O-N 3.38Å; G11-F14 WeakPolarHBondContact O-CB 3.09Å; G11-F14 PolarHBondContact O-N 3.47Å; G11-F14 VanDerWaalsContact O-N 3.15Å; G11-V15 PolarHBondContact O-N 2.88Å; G11-N175 WeakPolarHBondContact CA-ND2 3.27Å
12	K	96.1	Very high	96.5	Very high	13 Å²	13	31 Å²	31	6%	0.057	16%	0.156	C	C	.	.	H	α-helix	trans	-47.1	-48.8	174.2	-174.7	-174.7	58.7	58.1	0	113.7	L4 S10 F14 V15 A16 D111 V136	L4-K12 HydrophobicContact CD2-CD 4.5Å; L4-K12 HydrophobicContact CD2-CG 3.64Å; L4-K12 HydrophobicContact CG-CD 4.32Å; L4-K12 HydrophobicContact CG-CG 3.78Å; S10-K12 PolarHBondContact OG-N 3.42Å; K12-F14 VanDerWaalsContact C-N 3.34Å; K12-F14 PolarHBondContact O-N 3.31Å; K12-V15 PolarHBondContact O-N 3.11Å; K12-A16 PolarHBondContact O-N 3.42Å; K12-D111 WeakPolarHBondContact CE-OD1 3.17Å; K12-D111 IonicContact NZ-OD1 2.72Å; K12-D111 PolarHBondContact NZ-OD1 2.6Å; K12-V136 HydrophobicContact CB-CB 4.45Å; K12-V136 HydrophobicContact CG-CG2 4.45Å
13	D	94.9	Very high	96.6	Very high	89 Å²	89	30.9 Å²	30.9	48%	0.476	16%	0.155	S	C	.	.	H	α-helix	trans	-67.4	-37.8	-177.9	-58.4	-25.6	0	0	0	111.6	G11 V15 A16 T17	G11-D13 VanDerWaalsContact C-N 3.31Å; G11-D13 PolarHBondContact O-N 3.38Å; D13-V15 VanDerWaalsContact C-N 3.34Å; D13-A16 WeakPolarHBondContact O-CB 3.45Å; D13-A16 PolarHBondContact O-N 3.41Å; D13-T17 PolarHBondContact O-N 2.88Å; D13-T17 VanDerWaalsContact O-N 3.13Å; D13-T17 PolarHBondContact O-OG1 3.3Å
14	F	96.7	Very high	96.6	Very high	86 Å²	86	33.4 Å²	33.4	38%	0.377	18%	0.176	S	C	.	.	H	α-helix	trans	-60.8	-44.5	171.9	167.1	-104.8	0	0	0	111.4	G11 K12 A16 T17 L18 I180 Y181	G11-F14 WeakPolarHBondContact O-CB 3.09Å; G11-F14 PolarHBondContact O-N 3.47Å; G11-F14 VanDerWaalsContact O-N 3.15Å; K12-F14 VanDerWaalsContact C-N 3.34Å; K12-F14 PolarHBondContact O-N 3.31Å; F14-A16 PolarHBondContact O-N 2.9Å; F14-T17 PolarHBondContact O-N 3.12Å; F14-L18 HydrophobicContact CD1-CD1 4.14Å; F14-L18 HydrophobicContact CE1-CD1 3.47Å; F14-L18 VanDerWaalsContact CE1-CD1 3.47Å; F14-L18 HydrophobicContact CE1-CG 4.14Å; F14-L18 HydrophobicContact CE2-CD1 4.3Å; F14-L18 HydrophobicContact CE2-CD2 4.16Å; F14-L18 HydrophobicContact CE2-CG 4.19Å; F14-L18 HydrophobicContact CZ-CD1 3.57Å; F14-L18 HydrophobicContact CZ-CD2 4.11Å; F14-L18 HydrophobicContact CZ-CG 3.97Å; F14-L18 WeakPolarHBondContact O-CG 3.48Å; F14-L18 PolarHBondContact O-N 3.19Å; F14-I180 HydrophobicContact CE1-CG2 4.34Å; F14-Y181 HydrophobicContact CZ-CE1 4.26Å
15	V	98.1	Very high	96.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-38.9	176.2	164.1	0	0	0	0	112.2	L4 G11 K12 D13 T17 L18 L19 V136 L173 N175 I180 I184	L4-V15 HydrophobicContact CD1-CG1 4.37Å; G11-V15 PolarHBondContact O-N 2.88Å; K12-V15 PolarHBondContact O-N 3.11Å; D13-V15 VanDerWaalsContact C-N 3.34Å; V15-T17 VanDerWaalsContact C-N 3.34Å; V15-T17 PolarHBondContact O-N 3.27Å; V15-L18 PolarHBondContact O-N 3.25Å; V15-L19 HydrophobicContact CG1-CD1 4.26Å; V15-L19 HydrophobicContact CG1-CG 4.45Å; V15-L19 WeakPolarHBondContact O-CG 3.32Å; V15-L19 PolarHBondContact O-N 3.47Å; V15-V136 HydrophobicContact CB-CG1 4.31Å; V15-V136 HydrophobicContact CB-CG2 3.91Å; V15-V136 HydrophobicContact CG1-CG2 3.61Å; V15-V136 HydrophobicContact CG2-CG1 3.79Å; V15-V136 HydrophobicContact CG2-CG2 4.21Å; V15-L173 HydrophobicContact CG1-CD1 3.76Å; V15-N175 HydrophobicContact CG2-CB 4.3Å; V15-I180 HydrophobicContact CG2-CD1 4.04Å; V15-I180 HydrophobicContact CG2-CG1 4.06Å; V15-I184 HydrophobicContact CG1-CD1 3.85Å
16	A	97.8	Very high	96.6	Very high	3 Å²	3	42.7 Å²	42.7	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-56.8	-48.9	173.7	0	0	0	0	0	110.9	L4 K12 D13 F14 L18 L19 E20	L4-A16 HydrophobicContact CD2-CB 3.73Å; K12-A16 PolarHBondContact O-N 3.42Å; D13-A16 WeakPolarHBondContact O-CB 3.45Å; D13-A16 PolarHBondContact O-N 3.41Å; F14-A16 PolarHBondContact O-N 2.9Å; A16-L18 VanDerWaalsContact C-N 3.32Å; A16-L18 PolarHBondContact O-N 3.02Å; A16-L19 WeakPolarHBondContact O-CB 3.28Å; A16-L19 PolarHBondContact O-N 2.97Å; A16-L19 VanDerWaalsContact O-N 3.12Å; A16-E20 WeakPolarHBondContact O-CG 3.33Å; A16-E20 PolarHBondContact O-N 3.37Å
17	T	97.9	Very high	96.5	Very high	63 Å²	63	43.3 Å²	43.3	39%	0.387	22%	0.218	S	C	.	.	H	α-helix	trans	-60.8	-39.1	175.9	-56.2	0	0	0	0	112.6	D13 F14 V15 E20 Q21	D13-T17 PolarHBondContact O-N 2.88Å; D13-T17 VanDerWaalsContact O-N 3.13Å; D13-T17 PolarHBondContact O-OG1 3.3Å; F14-T17 PolarHBondContact O-N 3.12Å; V15-T17 VanDerWaalsContact C-N 3.34Å; V15-T17 PolarHBondContact O-N 3.27Å; T17-E20 PolarHBondContact O-N 3.48Å; T17-Q21 VanDerWaalsContact O-CG 3.32Å; T17-Q21 WeakPolarHBondContact O-CG 3.48Å; T17-Q21 PolarHBondContact O-N 3.31Å
18	L	98.4	Very high	96.5	Very high	14 Å²	14	50.1 Å²	50.1	7%	0.073	25%	0.25	C	S	.	.	H	α-helix	trans	-64.4	-40.3	174.9	-68.2	-173.6	0	0	0	112.3	F14 V15 A16 Q21 A22 I180 Y181 I184	F14-L18 HydrophobicContact CD1-CD1 4.14Å; F14-L18 HydrophobicContact CE1-CD1 3.47Å; F14-L18 VanDerWaalsContact CE1-CD1 3.47Å; F14-L18 HydrophobicContact CE1-CG 4.14Å; F14-L18 HydrophobicContact CE2-CD1 4.3Å; F14-L18 HydrophobicContact CE2-CD2 4.16Å; F14-L18 HydrophobicContact CE2-CG 4.19Å; F14-L18 HydrophobicContact CZ-CD1 3.57Å; F14-L18 HydrophobicContact CZ-CD2 4.11Å; F14-L18 HydrophobicContact CZ-CG 3.97Å; F14-L18 WeakPolarHBondContact O-CG 3.48Å; F14-L18 PolarHBondContact O-N 3.19Å; V15-L18 PolarHBondContact O-N 3.25Å; A16-L18 VanDerWaalsContact C-N 3.32Å; A16-L18 PolarHBondContact O-N 3.02Å; L18-Q21 PolarHBondContact O-N 2.89Å; L18-A22 WeakPolarHBondContact O-CB 3.44Å; L18-A22 PolarHBondContact O-N 2.73Å; L18-I180 HydrophobicContact CD1-CG1 4.34Å; L18-I180 HydrophobicContact CD1-CG2 4.4Å; L18-Y181 HydrophobicContact CD1-CD1 4.05Å; L18-Y181 HydrophobicContact CD1-CE1 4.02Å; L18-Y181 HydrophobicContact CD2-CD1 4.08Å; L18-Y181 HydrophobicContact CD2-CE1 3.71Å; L18-I184 HydrophobicContact CB-CD1 4.47Å; L18-I184 HydrophobicContact CB-CG1 4.15Å; L18-I184 HydrophobicContact CB-CG2 4.13Å; L18-I184 HydrophobicContact CD1-CG1 4.28Å
19	L	98.3	Very high	96.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-45.9	175	-71.7	167.7	0	0	0	110.7	L2 L4 V15 A16 Q21 A22 L23 I108 L134 I184 L187	L2-L19 HydrophobicContact CD1-CD1 4.29Å; L4-L19 HydrophobicContact CD1-CD1 4.36Å; V15-L19 HydrophobicContact CG1-CD1 4.26Å; V15-L19 HydrophobicContact CG1-CG 4.45Å; V15-L19 WeakPolarHBondContact O-CG 3.32Å; V15-L19 PolarHBondContact O-N 3.47Å; A16-L19 WeakPolarHBondContact O-CB 3.28Å; A16-L19 PolarHBondContact O-N 2.97Å; A16-L19 VanDerWaalsContact O-N 3.12Å; L19-Q21 PolarHBondContact O-N 3.42Å; L19-A22 PolarHBondContact O-N 3.37Å; L19-L23 VanDerWaalsContact O-CB 3.26Å; L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 WeakPolarHBondContact O-CD1 3.47Å; L19-L23 WeakPolarHBondContact O-CG 3.25Å; L19-L23 PolarHBondContact O-N 2.9Å; L19-I108 HydrophobicContact CB-CD1 4.07Å; L19-L134 HydrophobicContact CD1-CD1 3.87Å; L19-I184 HydrophobicContact CD2-CD1 3.66Å; L19-I184 HydrophobicContact CD2-CG2 4.34Å; L19-I184 HydrophobicContact CG-CD1 3.84Å; L19-L187 HydrophobicContact CD2-CD2 3.99Å
20	E	97.8	Very high	96.5	Very high	51 Å²	51	51.4 Å²	51.4	24%	0.238	26%	0.262	C	S	.	.	H	α-helix	trans	-56.6	-52.2	177.1	-65	171.6	-113	0	0	111.1	A16 T17 A22 A24 I33 I108	A16-E20 WeakPolarHBondContact O-CG 3.33Å; A16-E20 PolarHBondContact O-N 3.37Å; T17-E20 PolarHBondContact O-N 3.48Å; E20-A22 PolarHBondContact O-N 3.28Å; E20-A24 WeakPolarHBondContact O-CB 3.43Å; E20-A24 PolarHBondContact O-N 2.97Å; E20-A24 VanDerWaalsContact O-N 3.09Å; E20-I33 HydrophobicContact CB-CG2 4.22Å; E20-I33 HydrophobicContact CG-CG2 3.81Å; E20-I33 WeakPolarHBondContact O-CD1 3.42Å; E20-I108 HydrophobicContact CG-CD1 3.63Å
21	Q	97.9	Very high	96.4	Very high	106 Å²	106	52.9 Å²	52.9	50%	0.495	27%	0.269	S	S	.	.	H	α-helix	trans	-64	-41.3	-179.2	-69.1	172.9	-2.1	0	0	112.6	T17 L18 L19 R25	T17-Q21 VanDerWaalsContact O-CG 3.32Å; T17-Q21 WeakPolarHBondContact O-CG 3.48Å; T17-Q21 PolarHBondContact O-N 3.31Å; L18-Q21 PolarHBondContact O-N 2.89Å; L19-Q21 PolarHBondContact O-N 3.42Å; Q21-R25 VanDerWaalsContact O-CB 3.23Å; Q21-R25 WeakPolarHBondContact O-CB 3.28Å; Q21-R25 PolarHBondContact O-N 2.88Å
22	A	98.1	Very high	96.4	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-75	-36.9	-177.3	0	0	0	0	0	112.8	L18 L19 E20 R25 N26 I184 C188	L18-A22 WeakPolarHBondContact O-CB 3.44Å; L18-A22 PolarHBondContact O-N 2.73Å; L19-A22 PolarHBondContact O-N 3.37Å; E20-A22 PolarHBondContact O-N 3.28Å; A22-R25 PolarHBondContact O-N 3.38Å; A22-N26 VanDerWaalsContact O-CB 3.31Å; A22-N26 WeakPolarHBondContact O-CB 3.32Å; A22-N26 PolarHBondContact O-N 3.46Å; A22-N26 PolarHBondContact O-ND2 3.02Å; A22-I184 HydrophobicContact CB-CG2 3.5Å; A22-C188 HydrophobicContact CB-CB 4.11Å; A22-C188 VanDerWaalsContact CB-SG 3.53Å
23	L	97.5	Very high	96.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-46.3	172.3	-75.1	166.9	0	0	0	111	L2 L19 R25 N26 S27 I31 I33 V106 I108 C188 I191 L192	L2-L23 HydrophobicContact CD1-CD1 4.17Å; L19-L23 VanDerWaalsContact O-CB 3.26Å; L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 WeakPolarHBondContact O-CD1 3.47Å; L19-L23 WeakPolarHBondContact O-CG 3.25Å; L19-L23 PolarHBondContact O-N 2.9Å; L23-R25 PolarHBondContact O-N 3.2Å; L23-N26 PolarHBondContact O-N 3.49Å; L23-S27 WeakPolarHBondContact O-CB 3.3Å; L23-S27 PolarHBondContact O-N 3.28Å; L23-S27 VanDerWaalsContact O-N 3.13Å; L23-I31 HydrophobicContact CB-CD1 4.07Å; L23-I33 HydrophobicContact CB-CD1 3.66Å; L23-V106 HydrophobicContact CD1-CB 4.26Å; L23-V106 HydrophobicContact CD1-CG1 3.78Å; L23-V106 HydrophobicContact CD1-CG2 4.31Å; L23-I108 HydrophobicContact CD1-CD1 4.36Å; L23-C188 HydrophobicContact CD2-CB 4.07Å; L23-C188 HydrophobicContact CG-CB 4.35Å; L23-I191 HydrophobicContact CD2-CB 4.27Å; L23-I191 HydrophobicContact CD2-CD1 4.28Å; L23-I191 HydrophobicContact CD2-CG2 4Å; L23-L192 HydrophobicContact CD2-CD2 4.38Å; L23-L192 HydrophobicContact CD2-CG 4.25Å
24	A	96.4	Very high	96.4	Very high	53 Å²	53	49.3 Å²	49.3	44%	0.438	25%	0.246	S	C	.	.	H	α-helix	trans	-61.2	-44.4	176.9	0	0	0	0	0	111.8	E20 I33	E20-A24 WeakPolarHBondContact O-CB 3.43Å; E20-A24 PolarHBondContact O-N 2.97Å; E20-A24 VanDerWaalsContact O-N 3.09Å; A24-I33 HydrophobicContact CB-CD1 3.94Å
25	R	96.9	Very high	96.3	Very high	150 Å²	150	47.2 Å²	47.2	57%	0.566	24%	0.241	S	C	*	.	H	α-helix	trans	-68.4	-36.3	-179.2	-178.1	179.7	63.3	-104.6	0.3	113.8	Q21 A22 L23 D185	Q21-R25 VanDerWaalsContact O-CB 3.23Å; Q21-R25 WeakPolarHBondContact O-CB 3.28Å; Q21-R25 PolarHBondContact O-N 2.88Å; A22-R25 PolarHBondContact O-N 3.38Å; L23-R25 PolarHBondContact O-N 3.2Å; R25-D185 IonicContact CZ-OD1 3.28Å; R25-D185 IonicContact NE-OD1 4Å; R25-D185 IonicContact NH2-OD1 2.87Å; R25-D185 PolarHBondContact NH2-OD1 3.39Å
26	N	96	Very high	96.1	Very high	44 Å²	44	47.3 Å²	47.3	24%	0.235	24%	0.241	C	C	.	.	H	α-helix	trans	-90.1	-11.6	-175.3	-76.3	-85.7	0	0	0	113.5	A22 L23 D185 R189 L192	A22-N26 VanDerWaalsContact O-CB 3.31Å; A22-N26 WeakPolarHBondContact O-CB 3.32Å; A22-N26 PolarHBondContact O-N 3.46Å; A22-N26 PolarHBondContact O-ND2 3.02Å; L23-N26 PolarHBondContact O-N 3.49Å; N26-D185 PolarHBondContact ND2-OD1 3.38Å; N26-R189 HydrophobicContact CB-CG 4.42Å; N26-R189 WeakPolarHBondContact OD1-CG 3.21Å; N26-L192 VanDerWaalsContact C-CD1 3.46Å; N26-L192 HydrophobicContact CB-CD1 3.6Å
27	S	95.1	Very high	96	Very high	23 Å²	23	49.8 Å²	49.8	16%	0.161	25%	0.252	C	S	.	.			trans	-74.2	135.8	179.2	-172.3	0	0	0	0	111.4	L23 E29	L23-S27 WeakPolarHBondContact O-CB 3.3Å; L23-S27 PolarHBondContact O-N 3.28Å; L23-S27 VanDerWaalsContact O-N 3.13Å; S27-E29 VanDerWaalsContact C-N 3.34Å; S27-E29 PolarHBondContact OG-N 3.1Å; S27-E29 VanDerWaalsContact OG-N 3.1Å; S27-E29 PolarHBondContact OG-O 3.4Å
28	Q	94.1	Very high	95.9	Very high	203 Å²	203	46.9 Å²	46.9	95%	0.949	23%	0.234	S	C	*	.	S	Bend	trans	-92.3	-0.2	167	-65.5	-170.4	-24.3	0	0	112.5
29	E	92.7	Very high	95.7	Very high	65 Å²	65	47 Å²	47	30%	0.304	24%	0.237	S	C	.	.	S	Bend	trans	-122.5	164.7	-175.5	-64.1	-178.9	132.8	0	0	111.2	S27 I31 D103 I104 R199	S27-E29 VanDerWaalsContact C-N 3.34Å; S27-E29 PolarHBondContact OG-N 3.1Å; S27-E29 VanDerWaalsContact OG-N 3.1Å; S27-E29 PolarHBondContact OG-O 3.4Å; E29-I31 PolarHBondContact O-N 3.21Å; E29-I31 VanDerWaalsContact O-N 3.14Å; E29-D103 HydrophobicContact CB-CB 3.86Å; E29-D103 HydrophobicContact CG-CB 4.47Å; E29-I104 WeakPolarHBondContact OE2-CD1 3.11Å; E29-R199 VanDerWaalsContact CD-NH1 3.32Å; E29-R199 IonicContact OE1-CZ 3.15Å; E29-R199 IonicContact OE1-NH1 3.54Å; E29-R199 PolarHBondContact OE1-NH1 2.86Å; E29-R199 IonicContact OE1-NH2 2.68Å; E29-R199 PolarHBondContact OE1-NH2 3.22Å; E29-R199 IonicContact OE2-CZ 3.18Å; E29-R199 IonicContact OE2-NH1 3.78Å; E29-R199 PolarHBondContact OE2-NH1 2.63Å; E29-R199 IonicContact OE2-NH2 2.63Å; E29-R199 PolarHBondContact OE2-NH2 2.9Å
30	I	93.8	Very high	95.6	Very high	94 Å²	94	48.8 Å²	48.8	48%	0.482	25%	0.246	S	C	.	.			trans	-69.4	113	176.2	-56.4	178.2	0	0	0	108.2	A102 D103 I104	I30-A102 HydrophobicContact CG2-CB 4.22Å; I30-A102 CarbonylContact O-C 3.25Å; I30-D103 WeakPolarHBondContact CB-OD2 3.32Å; I30-D103 PolarHBondContact N-OD2 2.68Å; I30-D103 PolarHBondContact O-N 3.47Å; I30-I104 PolarHBondContact O-N 3.36Å
31	I	94.4	Very high	95.6	Very high	32 Å²	32	46.4 Å²	46.4	16%	0.164	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127	-176.6	-168.1	169.3	0	0	0	111	L23 E29 I33 I104 V106 L192	L23-I31 HydrophobicContact CB-CD1 4.07Å; E29-I31 PolarHBondContact O-N 3.21Å; E29-I31 VanDerWaalsContact O-N 3.14Å; I31-I33 HydrophobicContact CD1-CD1 4.35Å; I31-I33 HydrophobicContact CD1-CG1 4.14Å; I31-I33 HydrophobicContact CG1-CD1 4.49Å; I31-I33 HydrophobicContact CG1-CG1 3.9Å; I31-I33 HydrophobicContact CG2-CD1 4.37Å; I31-I33 HydrophobicContact CG2-CG1 4.39Å; I31-I104 CarbonylContact C-O 3.56Å; I31-I104 WeakPolarHBondContact CA-O 3.39Å; I31-I104 HydrophobicContact CD1-CG2 4.24Å; I31-I104 HydrophobicContact CG1-CB 4.15Å; I31-I104 HydrophobicContact CG1-CG2 4.1Å; I31-V106 HydrophobicContact CD1-CG2 3.8Å; I31-V106 HydrophobicContact CG1-CG2 4.16Å; I31-L192 HydrophobicContact CD1-CD2 3.94Å
32	S	94.6	Very high	95.5	Very high	9 Å²	9	42 Å²	42	6%	0.063	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	113.6	169	-174.8	0	0	0	0	108.6	N99 I104 T105 V106	S32-N99 PolarHBondContact OG-N 3.13Å; S32-I104 PolarHBondContact N-O 3.45Å; S32-T105 CarbonylContact O-C 3.47Å; S32-T105 WeakPolarHBondContact O-CA 3.49Å; S32-V106 PolarHBondContact O-N 3.13Å
33	I	95.6	Very high	95.4	Very high	38 Å²	38	42.8 Å²	42.8	20%	0.195	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.2	178.5	-52.7	173.2	0	0	0	108.1	E20 L23 A24 I31 V106 I108	E20-I33 HydrophobicContact CB-CG2 4.22Å; E20-I33 HydrophobicContact CG-CG2 3.81Å; E20-I33 WeakPolarHBondContact O-CD1 3.42Å; L23-I33 HydrophobicContact CB-CD1 3.66Å; A24-I33 HydrophobicContact CB-CD1 3.94Å; I31-I33 HydrophobicContact CD1-CD1 4.35Å; I31-I33 HydrophobicContact CD1-CG1 4.14Å; I31-I33 HydrophobicContact CG1-CD1 4.49Å; I31-I33 HydrophobicContact CG1-CG1 3.9Å; I31-I33 HydrophobicContact CG2-CD1 4.37Å; I31-I33 HydrophobicContact CG2-CG1 4.39Å; I33-V106 WeakPolarHBondContact CA-O 3.43Å; I33-I108 HydrophobicContact CG2-CD1 3.74Å; I33-I108 HydrophobicContact CG2-CG1 4.2Å
34	I	95.3	Very high	95.4	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	98.3	-171.4	-50.8	171.9	0	0	0	108.8	I36 A94 L97 R98 T105 V106 W107 I108	I34-I36 HydrophobicContact CG2-CG1 4.4Å; I34-I36 PolarHBondContact O-N 2.75Å; I34-A94 HydrophobicContact CG2-CB 3.91Å; I34-L97 HydrophobicContact CG2-CB 4.28Å; I34-L97 HydrophobicContact CG2-CD1 4.4Å; I34-R98 HydrophobicContact CD1-CB 3.77Å; I34-R98 HydrophobicContact CD1-CG 4.13Å; I34-T105 HydrophobicContact CD1-CG2 3.71Å; I34-T105 HydrophobicContact CG1-CG2 4.47Å; I34-V106 PolarHBondContact N-O 2.83Å; I34-W107 HydrophobicContact CB-CD2 4.39Å; I34-W107 HydrophobicContact CB-CE3 3.72Å; I34-W107 HydrophobicContact CB-CZ3 3.98Å; I34-W107 HydrophobicContact CD1-CD2 4.19Å; I34-W107 HydrophobicContact CD1-CE3 3.9Å; I34-W107 HydrophobicContact CD1-CH2 3.59Å; I34-W107 HydrophobicContact CD1-CZ2 3.85Å; I34-W107 HydrophobicContact CD1-CZ3 3.62Å; I34-W107 HydrophobicContact CG1-CE3 4.41Å; I34-W107 HydrophobicContact CG1-CZ3 4.41Å; I34-W107 HydrophobicContact CG2-CE3 3.71Å; I34-W107 HydrophobicContact CG2-CZ3 3.57Å; I34-I108 PolarHBondContact O-N 3.01Å
35	P	95.2	Very high	95.5	Very high	41 Å²	41	46.4 Å²	46.4	27%	0.266	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	125.2	171.6	29.2	-32.4	0	0	0	110.2
36	I	95.2	Very high	95.5	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.4	175.5	-62.6	-170.6	0	0	0	108.4	I34 A90 I91 A94 W107 I108 I109 C110	I34-I36 HydrophobicContact CG2-CG1 4.4Å; I34-I36 PolarHBondContact O-N 2.75Å; I36-A90 HydrophobicContact CG2-CB 3.52Å; I36-I91 HydrophobicContact CD1-CG1 4.24Å; I36-A94 HydrophobicContact CD1-CB 3.76Å; I36-A94 HydrophobicContact CG1-CB 3.56Å; I36-W107 HydrophobicContact CD1-CD2 4.43Å; I36-W107 HydrophobicContact CD1-CE3 3.37Å; I36-W107 HydrophobicContact CD1-CZ3 3.7Å; I36-W107 HydrophobicContact CG1-CE3 4Å; I36-W107 HydrophobicContact CG1-CZ3 4.38Å; I36-I108 PolarHBondContact N-O 3.1Å; I36-I109 HydrophobicContact CB-CD1 3.78Å; I36-I109 HydrophobicContact CD1-CD1 3.66Å; I36-I109 HydrophobicContact CG1-CD1 4.04Å; I36-I109 HydrophobicContact CG2-CD1 4.23Å; I36-C110 WeakPolarHBondContact O-CA 3.42Å; I36-C110 WeakPolarHBondContact O-CB 3.4Å; I36-C110 PolarHBondContact O-N 2.9Å
37	H	95.2	Very high	95.6	Very high	55 Å²	55	37.4 Å²	37.4	26%	0.255	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	108.3	173	-70.9	-93.2	0	0	0	110.3	S39 N40 C110 D111	H37-S39 PolarHBondContact O-N 3.01Å; H37-S39 VanDerWaalsContact O-N 3.08Å; H37-N40 HydrophobicContact CB-CB 4.26Å; H37-N40 WeakPolarHBondContact CB-OD1 3.2Å; H37-N40 WeakPolarHBondContact O-CB 3.5Å; H37-N40 PolarHBondContact O-N 3.43Å; H37-C110 WeakPolarHBondContact ND1-CB 3.41Å; H37-D111 IonicContact ND1-OD2 2.97Å; H37-D111 PolarHBondContact ND1-OD2 3.26Å
38	I	96	Very high	95.7	Very high	2 Å²	2	43 Å²	43	1%	0.01	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-29	176.8	-57.4	169.6	0	0	0	110.9	N40 P41 F86 I109 C110 D117 F121	I38-N40 VanDerWaalsContact C-N 3.31Å; I38-N40 PolarHBondContact O-N 3.1Å; I38-P41 WeakPolarHBondContact O-CD 3.39Å; I38-F86 HydrophobicContact CG2-CB 4.12Å; I38-I109 HydrophobicContact CD1-CG2 3.73Å; I38-I109 HydrophobicContact CG1-CG2 3.94Å; I38-C110 PolarHBondContact N-O 3.48Å; I38-D117 HydrophobicContact CD1-CB 4.03Å; I38-F121 HydrophobicContact CD1-CE2 3.71Å; I38-F121 HydrophobicContact CD1-CZ 4.46Å; I38-F121 HydrophobicContact CG1-CE2 4.01Å; I38-F121 HydrophobicContact CG1-CZ 4.28Å
39	S	94.4	Very high	95.9	Very high	17 Å²	17	38.6 Å²	38.6	12%	0.119	19%	0.191	C	C	.	.	H	α-helix	trans	-74.3	-14.9	179.6	70.4	0	0	0	0	114.7	H37 K43 D111	H37-S39 PolarHBondContact O-N 3.01Å; H37-S39 VanDerWaalsContact O-N 3.08Å; S39-K43 WeakPolarHBondContact O-CD 3.39Å; S39-K43 VanDerWaalsContact O-CG 3.23Å; S39-K43 WeakPolarHBondContact O-CG 3.31Å; S39-K43 PolarHBondContact O-N 2.91Å; S39-K43 PolarHBondContact OG-NZ 2.94Å; S39-D111 WeakPolarHBondContact CB-OD2 3.33Å; S39-D111 PolarHBondContact OG-OD2 3.35Å
40	N	95.7	Very high	96.1	Very high	36 Å²	36	40.4 Å²	40.4	19%	0.193	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-55.6	-178.2	-76.7	5.7	0	0	0	113.3	H37 I38 L42 K43 R44 Y54 L58	H37-N40 HydrophobicContact CB-CB 4.26Å; H37-N40 WeakPolarHBondContact CB-OD1 3.2Å; H37-N40 WeakPolarHBondContact O-CB 3.5Å; H37-N40 PolarHBondContact O-N 3.43Å; I38-N40 VanDerWaalsContact C-N 3.31Å; I38-N40 PolarHBondContact O-N 3.1Å; N40-L42 VanDerWaalsContact C-N 3.27Å; N40-L42 PolarHBondContact O-N 3.25Å; N40-K43 PolarHBondContact O-N 3.13Å; N40-K43 VanDerWaalsContact O-N 3.11Å; N40-R44 WeakPolarHBondContact O-CB 3.49Å; N40-R44 PolarHBondContact O-N 3.46Å; N40-Y54 WeakPolarHBondContact CB-OH 3.16Å; N40-Y54 WeakPolarHBondContact O-CE2 3.44Å; N40-L58 WeakPolarHBondContact OD1-CD2 3.46Å
41	P	96.9	Very high	96.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-60	-37.3	177.9	21.6	-33.3	0	0	0	112.3	I38 K43 R44 E45 F86 L89 A90	I38-P41 WeakPolarHBondContact O-CD 3.39Å; P41-K43 PolarHBondContact O-N 3.1Å; P41-R44 PolarHBondContact O-N 3.16Å; P41-E45 PolarHBondContact O-N 2.85Å; P41-F86 HydrophobicContact CB-CD1 4.34Å; P41-F86 HydrophobicContact CG-CB 4.31Å; P41-F86 HydrophobicContact CG-CD1 4.4Å; P41-F86 WeakPolarHBondContact CG-O 3.22Å; P41-L89 HydrophobicContact CB-CB 3.65Å; P41-L89 HydrophobicContact CB-CD1 3.91Å; P41-L89 HydrophobicContact CB-CG 4.47Å; P41-L89 HydrophobicContact CG-CB 3.98Å; P41-A90 HydrophobicContact CG-CB 4.03Å
42	L	97	Very high	96.3	Very high	14 Å²	14	39.2 Å²	39.2	7%	0.073	21%	0.211	C	C	.	.	H	α-helix	trans	-54.9	-52.6	171.7	165.3	60.6	0	0	0	111.8	N40 R44 F46 M71 W74 F86	N40-L42 VanDerWaalsContact C-N 3.27Å; N40-L42 PolarHBondContact O-N 3.25Å; L42-R44 VanDerWaalsContact C-N 3.33Å; L42-R44 PolarHBondContact O-N 3.06Å; L42-F46 WeakPolarHBondContact O-CB 3.23Å; L42-F46 PolarHBondContact O-N 3.23Å; L42-M71 HydrophobicContact CD1-CG 4.01Å; L42-M71 HydrophobicContact CG-CG 4.12Å; L42-M71 HydrophobicContact CG-SD 4.37Å; L42-W74 HydrophobicContact CD1-CE3 3.52Å; L42-W74 HydrophobicContact CD1-CZ3 3.46Å; L42-W74 VanDerWaalsContact CD1-CZ3 3.46Å; L42-F86 HydrophobicContact CB-CD1 3.91Å; L42-F86 HydrophobicContact CB-CE1 3.88Å; L42-F86 HydrophobicContact CB-CG 4.31Å; L42-F86 HydrophobicContact CB-CZ 4.23Å; L42-F86 HydrophobicContact CD1-CE1 4.26Å; L42-F86 HydrophobicContact CD1-CE2 4.34Å; L42-F86 HydrophobicContact CD1-CZ 3.87Å
43	K	96.3	Very high	96.3	Very high	18 Å²	18	41.4 Å²	41.4	8%	0.078	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-37.2	179.6	-71.2	163.3	-172.8	156.7	0	112	S39 N40 P41 A47 Y54 L57 L58 M71	S39-K43 WeakPolarHBondContact O-CD 3.39Å; S39-K43 VanDerWaalsContact O-CG 3.23Å; S39-K43 WeakPolarHBondContact O-CG 3.31Å; S39-K43 PolarHBondContact O-N 2.91Å; S39-K43 PolarHBondContact OG-NZ 2.94Å; N40-K43 PolarHBondContact O-N 3.13Å; N40-K43 VanDerWaalsContact O-N 3.11Å; P41-K43 PolarHBondContact O-N 3.1Å; K43-A47 WeakPolarHBondContact O-CB 3.3Å; K43-A47 PolarHBondContact O-N 2.78Å; K43-Y54 HydrophobicContact CB-CD2 3.96Å; K43-Y54 HydrophobicContact CB-CE2 3.83Å; K43-L57 HydrophobicContact CB-CB 4.22Å; K43-L57 HydrophobicContact CB-CD1 4.43Å; K43-L57 HydrophobicContact CD-CB 4.41Å; K43-L57 WeakPolarHBondContact CD-O 3.24Å; K43-L57 WeakPolarHBondContact CE-O 3.41Å; K43-L57 HydrophobicContact CG-CB 4.22Å; K43-L58 HydrophobicContact CD-CD2 3.83Å; K43-M71 HydrophobicContact CB-SD 4.47Å; K43-M71 HydrophobicContact CG-CE 4.33Å; K43-M71 HydrophobicContact CG-SD 3.64Å
44	R	97	Very high	96.2	Very high	86 Å²	86	41 Å²	41	33%	0.325	22%	0.221	S	C	.	.	H	α-helix	trans	-65	-54	-178.4	-168.9	-166.2	-57	-88.2	1.7	110.8	N40 P41 L42 A47 Q48 Y54 E93	N40-R44 WeakPolarHBondContact O-CB 3.49Å; N40-R44 PolarHBondContact O-N 3.46Å; P41-R44 PolarHBondContact O-N 3.16Å; L42-R44 VanDerWaalsContact C-N 3.33Å; L42-R44 PolarHBondContact O-N 3.06Å; R44-A47 PolarHBondContact O-N 2.59Å; R44-Q48 WeakPolarHBondContact O-CG 3.39Å; R44-Q48 PolarHBondContact O-N 2.82Å; R44-Y54 VanDerWaalsContact CA-CD2 3.44Å; R44-Y54 HydrophobicContact CB-CD2 3.86Å; R44-Y54 HydrophobicContact CB-CE2 3.76Å; R44-Y54 HydrophobicContact CB-CG 4.43Å; R44-Y54 HydrophobicContact CG-CD2 4.4Å; R44-Y54 HydrophobicContact CG-CE2 4.48Å; R44-Y54 HydrophobicContact CG-CG 4.49Å; R44-E93 IonicContact CZ-OE1 2.84Å; R44-E93 IonicContact CZ-OE2 2.91Å; R44-E93 IonicContact NE-OE1 2.7Å; R44-E93 PolarHBondContact NE-OE1 2.88Å; R44-E93 IonicContact NE-OE2 3.16Å; R44-E93 IonicContact NH2-OE1 3.85Å; R44-E93 PolarHBondContact NH2-OE1 3.3Å; R44-E93 VanDerWaalsContact NH2-OE1 3.16Å; R44-E93 IonicContact NH2-OE2 3.34Å; R44-E93 PolarHBondContact NH2-OE2 3.21Å
45	E	98.1	Very high	96.2	Very high	42 Å²	42	46.7 Å²	46.7	20%	0.196	25%	0.247	C	C	.	.	H	α-helix	trans	-66.7	-42	179.1	-70.6	-171.9	177.3	0	0	111.7	P41 A47 Q48 L49 W74 Y85 L89	P41-E45 PolarHBondContact O-N 2.85Å; E45-A47 VanDerWaalsContact C-N 3.26Å; E45-A47 PolarHBondContact O-N 3.27Å; E45-Q48 PolarHBondContact O-N 3.16Å; E45-L49 WeakPolarHBondContact O-CG 3.24Å; E45-L49 PolarHBondContact O-N 3.29Å; E45-W74 HydrophobicContact CB-CH2 3.65Å; E45-W74 HydrophobicContact CB-CZ3 4.32Å; E45-W74 WeakPolarHBondContact OE2-CH2 3.46Å; E45-Y85 PolarHBondContact OE1-OH 2.79Å; E45-Y85 WeakPolarHBondContact OE2-CE1 3.41Å; E45-Y85 PolarHBondContact OE2-OH 3.36Å; E45-L89 VanDerWaalsContact OE1-CD1 3.26Å; E45-L89 WeakPolarHBondContact OE1-CD1 3.43Å
46	F	98	Very high	96.1	Very high	3 Å²	3	49.8 Å²	49.8	1%	0.013	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-41	175.8	-175.8	-94.2	0	0	0	111.6	L42 L49 H50 L52 L57 A70 M71 W74	L42-F46 WeakPolarHBondContact O-CB 3.23Å; L42-F46 PolarHBondContact O-N 3.23Å; F46-L49 PolarHBondContact O-N 2.99Å; F46-H50 AromaticContact CD2-CE1 3.56Å; F46-H50 AromaticContact CD2-ND1 3.64Å; F46-H50 AromaticContact CE2-CE1 3.26Å; F46-H50 WeakPolarHBondContact CE2-CE1 3.49Å; F46-H50 AromaticContact CE2-ND1 3.53Å; F46-H50 AromaticContact CE2-NE2 3.93Å; F46-H50 AromaticContact CG-ND1 3.95Å; F46-H50 AromaticContact CZ-CE1 3.8Å; F46-H50 AromaticContact CZ-ND1 3.75Å; F46-H50 PolarHBondContact O-N 3.42Å; F46-H50 PolarHBondContact O-ND1 3.01Å; F46-L52 HydrophobicContact CD1-CD1 3.9Å; F46-L52 HydrophobicContact CE1-CD1 3.52Å; F46-L57 HydrophobicContact CD1-CD1 4.36Å; F46-A70 HydrophobicContact CE2-CB 4.39Å; F46-A70 HydrophobicContact CZ-CB 3.99Å; F46-M71 HydrophobicContact CB-CG 4.08Å; F46-M71 HydrophobicContact CD1-CB 4Å; F46-M71 HydrophobicContact CD1-CE 4.03Å; F46-M71 HydrophobicContact CD1-CG 3.99Å; F46-M71 HydrophobicContact CD2-CB 4.06Å; F46-M71 HydrophobicContact CD2-CG 4.11Å; F46-M71 HydrophobicContact CE1-CB 4Å; F46-M71 HydrophobicContact CE1-CE 4.38Å; F46-M71 HydrophobicContact CE1-CG 4.49Å; F46-M71 VanDerWaalsContact CE2-CA 3.47Å; F46-M71 HydrophobicContact CE2-CB 4.05Å; F46-M71 HydrophobicContact CG-CB 4.04Å; F46-M71 HydrophobicContact CG-CG 3.78Å; F46-M71 HydrophobicContact CZ-CB 4.02Å; F46-W74 HydrophobicContact CB-CE3 4.01Å; F46-W74 HydrophobicContact CB-CZ3 4Å; F46-W74 HydrophobicContact CD2-CB 4.16Å; F46-W74 HydrophobicContact CD2-CD2 4.1Å; F46-W74 AromaticContact CD2-CE3 3.85Å; F46-W74 HydrophobicContact CD2-CE3 3.85Å; F46-W74 HydrophobicContact CD2-CG 4.23Å; F46-W74 HydrophobicContact CE2-CB 4.22Å; F46-W74 HydrophobicContact CG-CE3 4.43Å
47	A	97.6	Very high	96	Very high	2 Å²	2	49.7 Å²	49.7	2%	0.017	26%	0.256	C	S	.	.	H	α-helix	trans	-63.9	-44.1	176.2	0	0	0	0	0	112.5	K43 R44 E45 H50 G51 L52 L57	K43-A47 WeakPolarHBondContact O-CB 3.3Å; K43-A47 PolarHBondContact O-N 2.78Å; R44-A47 PolarHBondContact O-N 2.59Å; E45-A47 VanDerWaalsContact C-N 3.26Å; E45-A47 PolarHBondContact O-N 3.27Å; A47-H50 PolarHBondContact O-N 3.16Å; A47-G51 PolarHBondContact O-N 3.06Å; A47-L52 HydrophobicContact CB-CB 4.1Å; A47-L52 PolarHBondContact O-N 2.87Å; A47-L57 HydrophobicContact CB-CD1 3.86Å
48	Q	97.8	Very high	95.8	Very high	142 Å²	142	50.3 Å²	50.3	66%	0.664	26%	0.261	S	S	*	.	H	α-helix	trans	-61	-45.2	177.3	-72.3	172	-12.4	0	0	111.8	R44 E45 H50	R44-Q48 WeakPolarHBondContact O-CG 3.39Å; R44-Q48 PolarHBondContact O-N 2.82Å; E45-Q48 PolarHBondContact O-N 3.16Å; Q48-H50 VanDerWaalsContact C-N 3.29Å; Q48-H50 PolarHBondContact O-N 3.24Å
49	L	97.4	Very high	95.2	Very high	110 Å²	110	53.5 Å²	53.5	58%	0.576	28%	0.281	S	S	*	.	H	α-helix	trans	-63.8	-31.8	-179.4	-72.6	171.8	0	0	0	113.6	E45 F46 W74	E45-L49 WeakPolarHBondContact O-CG 3.24Å; E45-L49 PolarHBondContact O-N 3.29Å; F46-L49 PolarHBondContact O-N 2.99Å; L49-W74 HydrophobicContact CD1-CH2 4.17Å; L49-W74 HydrophobicContact CD1-CZ2 3.4Å
50	H	96.8	Very high	94.3	Very high	102 Å²	102	59.3 Å²	59.3	47%	0.472	32%	0.316	S	S	.	.	H	α-helix	trans	-111	8.2	-173.2	-60.8	86.7	0	0	0	113.6	F46 A47 Q48 L52	F46-H50 AromaticContact CD2-CE1 3.56Å; F46-H50 AromaticContact CD2-ND1 3.64Å; F46-H50 AromaticContact CE2-CE1 3.26Å; F46-H50 WeakPolarHBondContact CE2-CE1 3.49Å; F46-H50 AromaticContact CE2-ND1 3.53Å; F46-H50 AromaticContact CE2-NE2 3.93Å; F46-H50 AromaticContact CG-ND1 3.95Å; F46-H50 AromaticContact CZ-CE1 3.8Å; F46-H50 AromaticContact CZ-ND1 3.75Å; F46-H50 PolarHBondContact O-N 3.42Å; F46-H50 PolarHBondContact O-ND1 3.01Å; A47-H50 PolarHBondContact O-N 3.16Å; Q48-H50 VanDerWaalsContact C-N 3.29Å; Q48-H50 PolarHBondContact O-N 3.24Å; H50-L52 VanDerWaalsContact C-N 3.29Å; H50-L52 HydrophobicContact CB-CD1 3.96Å; H50-L52 HydrophobicContact CB-CG 3.81Å; H50-L52 PolarHBondContact O-N 2.84Å
51	G	96.3	Very high	93.5	Very high	73 Å²	73	59.3 Å²	59.3	75%	0.753	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	33.5	-177.9	0	0	0	0	0	113.8	A47	A47-G51 PolarHBondContact O-N 3.06Å
52	L	95.8	Very high	93	Very high	28 Å²	28	67.9 Å²	67.9	15%	0.147	36%	0.358	C	S	.	.			trans	-95.6	167.2	-179.6	-52.3	176.5	0	0	0	111.7	F46 A47 H50 Y63 Y67	F46-L52 HydrophobicContact CD1-CD1 3.9Å; F46-L52 HydrophobicContact CE1-CD1 3.52Å; A47-L52 HydrophobicContact CB-CB 4.1Å; A47-L52 PolarHBondContact O-N 2.87Å; H50-L52 VanDerWaalsContact C-N 3.29Å; H50-L52 HydrophobicContact CB-CD1 3.96Å; H50-L52 HydrophobicContact CB-CG 3.81Å; H50-L52 PolarHBondContact O-N 2.84Å; L52-Y63 WeakPolarHBondContact CA-OH 3.26Å; L52-Y63 VanDerWaalsContact CB-OH 3.3Å; L52-Y63 WeakPolarHBondContact CB-OH 3.37Å; L52-Y67 HydrophobicContact CD1-CD1 3.94Å; L52-Y67 HydrophobicContact CD1-CD2 3.93Å; L52-Y67 HydrophobicContact CD1-CE1 4.2Å; L52-Y67 HydrophobicContact CD1-CE2 4.21Å; L52-Y67 HydrophobicContact CD1-CG 3.81Å; L52-Y67 HydrophobicContact CD2-CD1 4.49Å; L52-Y67 HydrophobicContact CD2-CD2 4.41Å; L52-Y67 HydrophobicContact CD2-CE1 3.91Å; L52-Y67 HydrophobicContact CD2-CE2 3.84Å
53	T	94.6	Very high	92.5	Very high	55 Å²	55	69.9 Å²	69.9	34%	0.337	37%	0.365	S	S	.	.			trans	-90.6	112	175.1	-49.1	0	0	0	0	110.7	E55 K56 L57 Y63	T53-E55 VanDerWaalsContact C-N 3.34Å; T53-E55 HydrophobicContact CG2-CB 4.39Å; T53-E55 VanDerWaalsContact CG2-OE2 3.32Å; T53-E55 WeakPolarHBondContact CG2-OE2 3.31Å; T53-E55 PolarHBondContact O-N 2.84Å; T53-K56 HydrophobicContact CG2-CB 4.36Å; T53-K56 HydrophobicContact CG2-CD 4.21Å; T53-K56 HydrophobicContact CG2-CG 3.85Å; T53-K56 PolarHBondContact O-N 2.96Å; T53-L57 PolarHBondContact O-N 3.24Å; T53-Y63 PolarHBondContact N-OH 2.78Å; T53-Y63 VanDerWaalsContact N-OH 3.08Å
54	Y	95	Very high	92.1	Very high	31 Å²	31	71 Å²	71	12%	0.122	37%	0.37	C	S	.	.	H	α-helix	trans	-55	-46.1	179.8	169.6	-121.2	0	0	0	112.7	N40 K43 R44 K56 L57 L58	N40-Y54 WeakPolarHBondContact CB-OH 3.16Å; N40-Y54 WeakPolarHBondContact O-CE2 3.44Å; K43-Y54 HydrophobicContact CB-CD2 3.96Å; K43-Y54 HydrophobicContact CB-CE2 3.83Å; R44-Y54 VanDerWaalsContact CA-CD2 3.44Å; R44-Y54 HydrophobicContact CB-CD2 3.86Å; R44-Y54 HydrophobicContact CB-CE2 3.76Å; R44-Y54 HydrophobicContact CB-CG 4.43Å; R44-Y54 HydrophobicContact CG-CD2 4.4Å; R44-Y54 HydrophobicContact CG-CE2 4.48Å; R44-Y54 HydrophobicContact CG-CG 4.49Å; Y54-K56 PolarHBondContact O-N 2.78Å; Y54-L57 WeakPolarHBondContact O-CA 3.41Å; Y54-L57 WeakPolarHBondContact O-CB 3.45Å; Y54-L57 PolarHBondContact O-N 3.45Å; Y54-L58 HydrophobicContact CD1-CD1 4.4Å; Y54-L58 HydrophobicContact CD2-CG 4.49Å; Y54-L58 HydrophobicContact CE1-CD1 3.82Å; Y54-L58 HydrophobicContact CE1-CG 4.37Å; Y54-L58 HydrophobicContact CE2-CD1 4.36Å; Y54-L58 HydrophobicContact CE2-CD2 3.73Å; Y54-L58 HydrophobicContact CE2-CG 4.05Å; Y54-L58 PolarHBondContact O-N 2.84Å
55	E	94.3	Very high	91.5	Very high	119 Å²	119	70.8 Å²	70.8	56%	0.556	37%	0.373	S	S	*	.	H	α-helix	trans	-60.3	-35.8	-177.6	-63.1	68.5	-148.6	0	0	111.1	T53 L57 L58	T53-E55 VanDerWaalsContact C-N 3.34Å; T53-E55 HydrophobicContact CG2-CB 4.39Å; T53-E55 VanDerWaalsContact CG2-OE2 3.32Å; T53-E55 WeakPolarHBondContact CG2-OE2 3.31Å; T53-E55 PolarHBondContact O-N 2.84Å; E55-L57 VanDerWaalsContact C-N 3.33Å; E55-L57 PolarHBondContact O-N 3.46Å; E55-L58 PolarHBondContact O-N 3.13Å
56	K	93.4	Very high	91.2	Very high	107 Å²	107	74.8 Å²	74.8	47%	0.465	40%	0.395	S	S	.	.	H	α-helix	trans	-69	-32	176.5	-67	-176.3	-179.5	173.9	0	112.1	T53 Y54 L58 T59 S61 Y63	T53-K56 HydrophobicContact CG2-CB 4.36Å; T53-K56 HydrophobicContact CG2-CD 4.21Å; T53-K56 HydrophobicContact CG2-CG 3.85Å; T53-K56 PolarHBondContact O-N 2.96Å; Y54-K56 PolarHBondContact O-N 2.78Å; K56-L58 VanDerWaalsContact C-N 3.31Å; K56-T59 PolarHBondContact O-N 3.32Å; K56-T59 PolarHBondContact O-OG1 3.36Å; K56-S61 PolarHBondContact O-OG 3.01Å; K56-Y63 HydrophobicContact CB-CD1 3.38Å; K56-Y63 HydrophobicContact CB-CE1 3.62Å; K56-Y63 HydrophobicContact CB-CG 4.03Å; K56-Y63 HydrophobicContact CD-CD1 4.27Å; K56-Y63 HydrophobicContact CD-CD2 4.28Å; K56-Y63 HydrophobicContact CD-CE1 4.29Å; K56-Y63 HydrophobicContact CD-CE2 4.3Å; K56-Y63 HydrophobicContact CD-CG 4.26Å; K56-Y63 HydrophobicContact CG-CD1 4.46Å
57	L	93.4	Very high	90.9	Very high	0 Å²	0	78 Å²	78	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-74.6	-18.1	176.4	-59.9	178	0	0	0	113.4	K43 F46 A47 T53 Y54 E55 Y63 K64 Y67 M71	K43-L57 HydrophobicContact CB-CB 4.22Å; K43-L57 HydrophobicContact CB-CD1 4.43Å; K43-L57 HydrophobicContact CD-CB 4.41Å; K43-L57 WeakPolarHBondContact CD-O 3.24Å; K43-L57 WeakPolarHBondContact CE-O 3.41Å; K43-L57 HydrophobicContact CG-CB 4.22Å; F46-L57 HydrophobicContact CD1-CD1 4.36Å; A47-L57 HydrophobicContact CB-CD1 3.86Å; T53-L57 PolarHBondContact O-N 3.24Å; Y54-L57 WeakPolarHBondContact O-CA 3.41Å; Y54-L57 WeakPolarHBondContact O-CB 3.45Å; Y54-L57 PolarHBondContact O-N 3.45Å; E55-L57 VanDerWaalsContact C-N 3.33Å; E55-L57 PolarHBondContact O-N 3.46Å; L57-Y63 HydrophobicContact CD2-CD1 3.79Å; L57-Y63 HydrophobicContact CD2-CE1 3.69Å; L57-Y63 HydrophobicContact CG-CD1 4.47Å; L57-Y63 HydrophobicContact CG-CE1 4.12Å; L57-K64 WeakPolarHBondContact O-CD 3.36Å; L57-Y67 HydrophobicContact CD2-CD2 4.29Å; L57-M71 HydrophobicContact CB-CE 4.45Å; L57-M71 HydrophobicContact CD1-CE 3.87Å; L57-M71 HydrophobicContact CD2-CE 3.85Å; L57-M71 HydrophobicContact CG-CE 4.27Å
58	L	89.4	Confident	90.6	Very high	68 Å²	68	79.6 Å²	79.6	36%	0.356	41%	0.413	S	S	.	.	H	α-helix	trans	-73.5	-33.9	173.1	-64.5	179.6	0	0	0	112	N40 K43 Y54 E55 K56	N40-L58 WeakPolarHBondContact OD1-CD2 3.46Å; K43-L58 HydrophobicContact CD-CD2 3.83Å; Y54-L58 HydrophobicContact CD1-CD1 4.4Å; Y54-L58 HydrophobicContact CD2-CG 4.49Å; Y54-L58 HydrophobicContact CE1-CD1 3.82Å; Y54-L58 HydrophobicContact CE1-CG 4.37Å; Y54-L58 HydrophobicContact CE2-CD1 4.36Å; Y54-L58 HydrophobicContact CE2-CD2 3.73Å; Y54-L58 HydrophobicContact CE2-CG 4.05Å; Y54-L58 PolarHBondContact O-N 2.84Å; E55-L58 PolarHBondContact O-N 3.13Å; K56-L58 VanDerWaalsContact C-N 3.31Å
59	T	84.8	Confident	90.3	Very high	70 Å²	70	80.9 Å²	80.9	43%	0.429	42%	0.419	S	S	.	.	S	Bend	trans	-77.7	159.9	-176.9	67.8	0	0	0	0	113.6	K56 S61 K64	K56-T59 PolarHBondContact O-N 3.32Å; K56-T59 PolarHBondContact O-OG1 3.36Å; T59-S61 PolarHBondContact O-N 2.8Å; T59-S61 VanDerWaalsContact OG1-CB 3.31Å; T59-S61 WeakPolarHBondContact OG1-CB 3.39Å; T59-S61 PolarHBondContact OG1-OG 3.44Å; T59-K64 WeakPolarHBondContact O-CD 3.42Å
60	T	75.7	Confident	90.2	Very high	139 Å²	139	78.1 Å²	78.1	85%	0.853	41%	0.412	S	S	*	.	S	Bend	trans	-80	51.8	170.2	55.8	0	0	0	0	111.8
61	S	79.1	Confident	90.1	Very high	35 Å²	35	73.9 Å²	73.9	25%	0.245	39%	0.393	C	S	.	.	S	Bend	trans	-95.1	159.5	-177.5	61.9	0	0	0	0	112.3	K56 T59 Y63 K64 E65	K56-S61 PolarHBondContact O-OG 3.01Å; T59-S61 PolarHBondContact O-N 2.8Å; T59-S61 VanDerWaalsContact OG1-CB 3.31Å; T59-S61 WeakPolarHBondContact OG1-CB 3.39Å; T59-S61 PolarHBondContact OG1-OG 3.44Å; S61-Y63 PolarHBondContact O-N 2.93Å; S61-Y63 WeakPolarHBondContact OG-CB 3.44Å; S61-K64 WeakPolarHBondContact O-CB 3.48Å; S61-K64 PolarHBondContact O-N 2.71Å; S61-K64 VanDerWaalsContact O-N 3.08Å; S61-K64 PolarHBondContact OG-N 3.2Å; S61-E65 PolarHBondContact O-N 2.79Å
62	Q	85.1	Confident	89.9	Confident	181 Å²	181	72 Å²	72	85%	0.846	37%	0.367	S	S	*	.	H	α-helix	trans	-56.5	-30.2	168.7	-70.5	177.7	-8.8	0	0	111.9	K64 E65 L66	Q62-K64 PolarHBondContact O-N 2.86Å; Q62-E65 PolarHBondContact O-N 3.41Å; Q62-L66 PolarHBondContact O-N 2.88Å
63	Y	87.5	Confident	89.8	Confident	56 Å²	56	73.2 Å²	73.2	22%	0.22	38%	0.381	C	S	.	.	H	α-helix	trans	-59.4	-44.4	174.8	-174.1	-91.3	0	0	0	111.9	L52 T53 K56 L57 S61 L66 Y67	L52-Y63 WeakPolarHBondContact CA-OH 3.26Å; L52-Y63 VanDerWaalsContact CB-OH 3.3Å; L52-Y63 WeakPolarHBondContact CB-OH 3.37Å; T53-Y63 PolarHBondContact N-OH 2.78Å; T53-Y63 VanDerWaalsContact N-OH 3.08Å; K56-Y63 HydrophobicContact CB-CD1 3.38Å; K56-Y63 HydrophobicContact CB-CE1 3.62Å; K56-Y63 HydrophobicContact CB-CG 4.03Å; K56-Y63 HydrophobicContact CD-CD1 4.27Å; K56-Y63 HydrophobicContact CD-CD2 4.28Å; K56-Y63 HydrophobicContact CD-CE1 4.29Å; K56-Y63 HydrophobicContact CD-CE2 4.3Å; K56-Y63 HydrophobicContact CD-CG 4.26Å; K56-Y63 HydrophobicContact CG-CD1 4.46Å; L57-Y63 HydrophobicContact CD2-CD1 3.79Å; L57-Y63 HydrophobicContact CD2-CE1 3.69Å; L57-Y63 HydrophobicContact CG-CD1 4.47Å; L57-Y63 HydrophobicContact CG-CE1 4.12Å; S61-Y63 PolarHBondContact O-N 2.93Å; S61-Y63 WeakPolarHBondContact OG-CB 3.44Å; Y63-L66 PolarHBondContact O-N 3.39Å; Y63-Y67 HydrophobicContact CD1-CD2 4.37Å; Y63-Y67 HydrophobicContact CD1-CE2 4.4Å; Y63-Y67 HydrophobicContact CD2-CE2 4.08Å; Y63-Y67 HydrophobicContact CE1-CD2 4.21Å; Y63-Y67 HydrophobicContact CE1-CE2 4.1Å; Y63-Y67 AromaticContact CE2-CE2 3.75Å; Y63-Y67 HydrophobicContact CE2-CE2 3.75Å; Y63-Y67 HydrophobicContact CG-CE2 4.4Å; Y63-Y67 AromaticContact CZ-CE2 3.77Å; Y63-Y67 WeakPolarHBondContact O-CD2 3.2Å
64	K	87	Confident	90	Very high	43 Å²	43	73.2 Å²	73.2	19%	0.187	38%	0.375	C	S	.	.	H	α-helix	trans	-63.1	-43.4	175.1	176.9	-175.7	172.5	-178.9	0	111.7	L57 T59 S61 Q62 L66 Y67 R68	L57-K64 WeakPolarHBondContact O-CD 3.36Å; T59-K64 WeakPolarHBondContact O-CD 3.42Å; S61-K64 WeakPolarHBondContact O-CB 3.48Å; S61-K64 PolarHBondContact O-N 2.71Å; S61-K64 VanDerWaalsContact O-N 3.08Å; S61-K64 PolarHBondContact OG-N 3.2Å; Q62-K64 PolarHBondContact O-N 2.86Å; K64-L66 VanDerWaalsContact C-N 3.34Å; K64-L66 PolarHBondContact O-N 2.9Å; K64-Y67 PolarHBondContact O-N 3.49Å; K64-R68 PolarHBondContact O-N 3.49Å; K64-R68 VanDerWaalsContact O-N 3.11Å
65	E	85.3	Confident	90	Very high	81 Å²	81	71.8 Å²	71.8	38%	0.379	37%	0.369	S	S	.	.	H	α-helix	trans	-68.3	-33.2	-177.8	-65.1	-60.6	138.3	0	0	112.1	S61 Q62 Y67 R68	S61-E65 PolarHBondContact O-N 2.79Å; Q62-E65 PolarHBondContact O-N 3.41Å; E65-Y67 VanDerWaalsContact C-N 3.28Å; E65-Y67 PolarHBondContact O-N 3.49Å; E65-R68 WeakPolarHBondContact O-CB 3.21Å; E65-R68 PolarHBondContact O-N 3.14Å; E65-R68 IonicContact OE1-NH1 2.82Å; E65-R68 PolarHBondContact OE1-NH1 3.4Å; E65-R68 VanDerWaalsContact OE2-CD 3.27Å; E65-R68 WeakPolarHBondContact OE2-CD 3.49Å; E65-R68 IonicContact OE2-NH1 2.65Å
66	L	90.7	Very high	90.1	Very high	125 Å²	125	67.1 Å²	67.1	65%	0.654	35%	0.347	S	S	*	.	H	α-helix	trans	-57.2	-38.6	174.5	179.5	63.1	0	0	0	113.1	Q62 Y63 K64	Q62-L66 PolarHBondContact O-N 2.88Å; Y63-L66 PolarHBondContact O-N 3.39Å; K64-L66 VanDerWaalsContact C-N 3.34Å; K64-L66 PolarHBondContact O-N 2.9Å
67	Y	93.1	Very high	90.2	Very high	71 Å²	71	66.2 Å²	66.2	28%	0.278	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	1.7	-176.9	-60.5	-69	0	0	0	113.8	L52 L57 Y63 K64 E65 E69 A70 M71	L52-Y67 HydrophobicContact CD1-CD1 3.94Å; L52-Y67 HydrophobicContact CD1-CD2 3.93Å; L52-Y67 HydrophobicContact CD1-CE1 4.2Å; L52-Y67 HydrophobicContact CD1-CE2 4.21Å; L52-Y67 HydrophobicContact CD1-CG 3.81Å; L52-Y67 HydrophobicContact CD2-CD1 4.49Å; L52-Y67 HydrophobicContact CD2-CD2 4.41Å; L52-Y67 HydrophobicContact CD2-CE1 3.91Å; L52-Y67 HydrophobicContact CD2-CE2 3.84Å; L57-Y67 HydrophobicContact CD2-CD2 4.29Å; Y63-Y67 HydrophobicContact CD1-CD2 4.37Å; Y63-Y67 HydrophobicContact CD1-CE2 4.4Å; Y63-Y67 HydrophobicContact CD2-CE2 4.08Å; Y63-Y67 HydrophobicContact CE1-CD2 4.21Å; Y63-Y67 HydrophobicContact CE1-CE2 4.1Å; Y63-Y67 AromaticContact CE2-CE2 3.75Å; Y63-Y67 HydrophobicContact CE2-CE2 3.75Å; Y63-Y67 HydrophobicContact CG-CE2 4.4Å; Y63-Y67 AromaticContact CZ-CE2 3.77Å; Y63-Y67 WeakPolarHBondContact O-CD2 3.2Å; K64-Y67 PolarHBondContact O-N 3.49Å; E65-Y67 VanDerWaalsContact C-N 3.28Å; E65-Y67 PolarHBondContact O-N 3.49Å; Y67-E69 PolarHBondContact O-N 3.23Å; Y67-A70 PolarHBondContact O-N 3.1Å; Y67-M71 WeakPolarHBondContact O-CB 3.45Å; Y67-M71 PolarHBondContact O-N 2.73Å
68	R	91	Very high	90.5	Very high	36 Å²	36	67 Å²	67	14%	0.136	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-46.6	-171.1	-177.5	174.2	-177	139.8	1	112.2	K64 E65 M71 V72 E160	K64-R68 PolarHBondContact O-N 3.49Å; K64-R68 VanDerWaalsContact O-N 3.11Å; E65-R68 WeakPolarHBondContact O-CB 3.21Å; E65-R68 PolarHBondContact O-N 3.14Å; E65-R68 IonicContact OE1-NH1 2.82Å; E65-R68 PolarHBondContact OE1-NH1 3.4Å; E65-R68 VanDerWaalsContact OE2-CD 3.27Å; E65-R68 WeakPolarHBondContact OE2-CD 3.49Å; E65-R68 IonicContact OE2-NH1 2.65Å; R68-M71 PolarHBondContact O-N 2.88Å; R68-V72 HydrophobicContact CG-CG2 4.48Å; R68-V72 WeakPolarHBondContact O-CB 3.19Å; R68-V72 VanDerWaalsContact O-CG2 3.29Å; R68-V72 WeakPolarHBondContact O-CG2 3.42Å; R68-V72 PolarHBondContact O-N 3.09Å; R68-E160 IonicContact NH2-OE1 3.75Å
69	E	90.6	Very high	90.8	Very high	168 Å²	168	64.8 Å²	64.8	79%	0.785	34%	0.336	S	S	*	.	H	α-helix	trans	-62.3	-51.8	-178.3	-174	179.7	177.6	0	0	111.5	Y67 M71 V72 A73	Y67-E69 PolarHBondContact O-N 3.23Å; E69-M71 VanDerWaalsContact C-N 3.32Å; E69-M71 PolarHBondContact O-N 3Å; E69-V72 PolarHBondContact O-N 2.8Å; E69-A73 WeakPolarHBondContact O-CB 3.33Å; E69-A73 PolarHBondContact O-N 3.12Å
70	A	94.5	Very high	91.3	Very high	53 Å²	53	68.7 Å²	68.7	44%	0.438	35%	0.347	S	S	.	.	H	α-helix	trans	-61	-40	178.2	0	0	0	0	0	112.4	F46 Y67 A73 W74	F46-A70 HydrophobicContact CE2-CB 4.39Å; F46-A70 HydrophobicContact CZ-CB 3.99Å; Y67-A70 PolarHBondContact O-N 3.1Å; A70-A73 PolarHBondContact O-N 2.89Å; A70-W74 WeakPolarHBondContact O-CB 3.13Å; A70-W74 PolarHBondContact O-N 2.87Å
71	M	95.2	Very high	92.4	Very high	13 Å²	13	71.2 Å²	71.2	6%	0.064	34%	0.341	C	S	.	.	H	α-helix	trans	-65.8	-42.5	177.5	-174.7	-168.9	-44.5	0	0	112.3	L42 K43 F46 L57 Y67 R68 E69 G75	L42-M71 HydrophobicContact CD1-CG 4.01Å; L42-M71 HydrophobicContact CG-CG 4.12Å; L42-M71 HydrophobicContact CG-SD 4.37Å; K43-M71 HydrophobicContact CB-SD 4.47Å; K43-M71 HydrophobicContact CG-CE 4.33Å; K43-M71 HydrophobicContact CG-SD 3.64Å; F46-M71 HydrophobicContact CB-CG 4.08Å; F46-M71 HydrophobicContact CD1-CB 4Å; F46-M71 HydrophobicContact CD1-CE 4.03Å; F46-M71 HydrophobicContact CD1-CG 3.99Å; F46-M71 HydrophobicContact CD2-CB 4.06Å; F46-M71 HydrophobicContact CD2-CG 4.11Å; F46-M71 HydrophobicContact CE1-CB 4Å; F46-M71 HydrophobicContact CE1-CE 4.38Å; F46-M71 HydrophobicContact CE1-CG 4.49Å; F46-M71 VanDerWaalsContact CE2-CA 3.47Å; F46-M71 HydrophobicContact CE2-CB 4.05Å; F46-M71 HydrophobicContact CG-CB 4.04Å; F46-M71 HydrophobicContact CG-CG 3.78Å; F46-M71 HydrophobicContact CZ-CB 4.02Å; L57-M71 HydrophobicContact CB-CE 4.45Å; L57-M71 HydrophobicContact CD1-CE 3.87Å; L57-M71 HydrophobicContact CD2-CE 3.85Å; L57-M71 HydrophobicContact CG-CE 4.27Å; Y67-M71 WeakPolarHBondContact O-CB 3.45Å; Y67-M71 PolarHBondContact O-N 2.73Å; R68-M71 PolarHBondContact O-N 2.88Å; E69-M71 VanDerWaalsContact C-N 3.32Å; E69-M71 PolarHBondContact O-N 3Å; M71-G75 PolarHBondContact O-N 3.43Å
72	V	92.8	Very high	93.3	Very high	34 Å²	34	72.1 Å²	72.1	21%	0.206	34%	0.343	C	S	.	.	H	α-helix	trans	-64	-49.6	175.5	168.3	0	0	0	0	109.8	R68 E69 W74 G75 E76 T159	R68-V72 HydrophobicContact CG-CG2 4.48Å; R68-V72 WeakPolarHBondContact O-CB 3.19Å; R68-V72 VanDerWaalsContact O-CG2 3.29Å; R68-V72 WeakPolarHBondContact O-CG2 3.42Å; R68-V72 PolarHBondContact O-N 3.09Å; E69-V72 PolarHBondContact O-N 2.8Å; V72-W74 PolarHBondContact O-N 3.29Å; V72-G75 CarbonylContact O-C 3.58Å; V72-G75 PolarHBondContact O-N 3.46Å; V72-G75 VanDerWaalsContact O-N 3.11Å; V72-E76 HydrophobicContact CG1-CG 4.38Å; V72-E76 WeakPolarHBondContact O-CG 3.41Å; V72-E76 PolarHBondContact O-N 3.09Å; V72-T159 HydrophobicContact CG1-CG2 3.75Å; V72-T159 HydrophobicContact CG2-CG2 4.41Å
73	A	94.2	Very high	93.8	Very high	53 Å²	53	66.2 Å²	66.2	44%	0.438	32%	0.322	S	S	.	.	H	α-helix	trans	-56.2	-49	179.3	0	0	0	0	0	111.9	E69 A70 G75 E76 E77	E69-A73 WeakPolarHBondContact O-CB 3.33Å; E69-A73 PolarHBondContact O-N 3.12Å; A70-A73 PolarHBondContact O-N 2.89Å; A73-G75 PolarHBondContact O-N 2.99Å; A73-E76 PolarHBondContact O-N 3.49Å; A73-E77 PolarHBondContact O-N 3.37Å; A73-E77 VanDerWaalsContact O-N 3.11Å
74	W	96.9	Very high	94.3	Very high	55 Å²	55	64.1 Å²	64.1	21%	0.208	32%	0.316	C	S	.	.	H	α-helix	trans	-60.3	-44.9	175.1	175.6	76.8	0	0	0	112.3	L42 E45 F46 L49 A70 V72 E76 E77 V78 F86	L42-W74 HydrophobicContact CD1-CE3 3.52Å; L42-W74 HydrophobicContact CD1-CZ3 3.46Å; L42-W74 VanDerWaalsContact CD1-CZ3 3.46Å; E45-W74 HydrophobicContact CB-CH2 3.65Å; E45-W74 HydrophobicContact CB-CZ3 4.32Å; E45-W74 WeakPolarHBondContact OE2-CH2 3.46Å; F46-W74 HydrophobicContact CB-CE3 4.01Å; F46-W74 HydrophobicContact CB-CZ3 4Å; F46-W74 HydrophobicContact CD2-CB 4.16Å; F46-W74 HydrophobicContact CD2-CD2 4.1Å; F46-W74 AromaticContact CD2-CE3 3.85Å; F46-W74 HydrophobicContact CD2-CE3 3.85Å; F46-W74 HydrophobicContact CD2-CG 4.23Å; F46-W74 HydrophobicContact CE2-CB 4.22Å; F46-W74 HydrophobicContact CG-CE3 4.43Å; L49-W74 HydrophobicContact CD1-CH2 4.17Å; L49-W74 HydrophobicContact CD1-CZ2 3.4Å; A70-W74 WeakPolarHBondContact O-CB 3.13Å; A70-W74 PolarHBondContact O-N 2.87Å; V72-W74 PolarHBondContact O-N 3.29Å; W74-E76 VanDerWaalsContact C-N 3.3Å; W74-E76 PolarHBondContact O-N 2.85Å; W74-E77 PolarHBondContact O-N 2.68Å; W74-E77 VanDerWaalsContact O-N 3.15Å; W74-V78 HydrophobicContact CD2-CG2 4.32Å; W74-V78 HydrophobicContact CH2-CG2 4.29Å; W74-V78 HydrophobicContact CZ2-CG2 3.83Å; W74-V78 PolarHBondContact O-N 3.27Å; W74-F86 HydrophobicContact CH2-CE1 4.16Å; W74-F86 HydrophobicContact CH2-CZ 4.08Å; W74-F86 HydrophobicContact CZ3-CE1 4.09Å; W74-F86 AromaticContact CZ3-CZ 3.85Å; W74-F86 HydrophobicContact CZ3-CZ 3.85Å
75	G	96.7	Very high	94.8	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.1	-34.9	177.5	0	0	0	0	0	113.4	M71 V72 A73 R79	M71-G75 PolarHBondContact O-N 3.43Å; V72-G75 CarbonylContact O-C 3.58Å; V72-G75 PolarHBondContact O-N 3.46Å; V72-G75 VanDerWaalsContact O-N 3.11Å; A73-G75 PolarHBondContact O-N 2.99Å; G75-R79 WeakPolarHBondContact O-CG 3.48Å; G75-R79 PolarHBondContact O-N 2.9Å; G75-R79 PolarHBondContact O-NH1 3.05Å; G75-R79 VanDerWaalsContact O-NH1 3.08Å
76	E	95.2	Very high	95.4	Very high	21 Å²	21	61.6 Å²	61.6	10%	0.098	30%	0.303	C	S	.	.	H	α-helix	trans	-69.9	-39.3	173.2	-60.6	-40.5	147.3	0	0	111.8	V72 A73 W74 V78 R79 K80 R114	V72-E76 HydrophobicContact CG1-CG 4.38Å; V72-E76 WeakPolarHBondContact O-CG 3.41Å; V72-E76 PolarHBondContact O-N 3.09Å; A73-E76 PolarHBondContact O-N 3.49Å; W74-E76 VanDerWaalsContact C-N 3.3Å; W74-E76 PolarHBondContact O-N 2.85Å; E76-V78 PolarHBondContact O-N 3.32Å; E76-R79 PolarHBondContact O-N 2.72Å; E76-R79 VanDerWaalsContact O-N 3.13Å; E76-K80 WeakPolarHBondContact O-CG 3.23Å; E76-K80 PolarHBondContact O-N 3.07Å; E76-R114 IonicContact OE1-CZ 3.9Å; E76-R114 IonicContact OE1-NE 2.81Å; E76-R114 IonicContact OE1-NH2 3.12Å; E76-R114 PolarHBondContact OE1-NH2 3.08Å; E76-R114 IonicContact OE2-CZ 2.67Å; E76-R114 IonicContact OE2-NE 3.91Å; E76-R114 PolarHBondContact OE2-NE 3.22Å; E76-R114 IonicContact OE2-NH2 3.1Å; E76-R114 PolarHBondContact OE2-NH2 2.97Å
77	E	96.9	Very high	95.7	Very high	89 Å²	89	55.7 Å²	55.7	42%	0.416	27%	0.272	S	S	.	.	H	α-helix	trans	-63.5	-30.4	175.7	-67.2	-51.2	130.6	0	0	113	A73 W74 K80 R81	A73-E77 PolarHBondContact O-N 3.37Å; A73-E77 VanDerWaalsContact O-N 3.11Å; W74-E77 PolarHBondContact O-N 2.68Å; W74-E77 VanDerWaalsContact O-N 3.15Å; E77-K80 IonicContact OE1-NZ 2.69Å; E77-K80 PolarHBondContact OE1-NZ 2.9Å; E77-K80 IonicContact OE2-NZ 3.2Å; E77-R81 PolarHBondContact O-NE 2.69Å; E77-R81 PolarHBondContact O-NH2 2.81Å
78	V	97.9	Very high	95.8	Very high	17 Å²	17	56.7 Å²	56.7	10%	0.103	28%	0.275	C	S	.	.	H	α-helix	trans	-71.3	-46.8	170.5	176.1	0	0	0	0	110.4	W74 E76 K80 R81 D82 Y85 F86	W74-V78 HydrophobicContact CD2-CG2 4.32Å; W74-V78 HydrophobicContact CH2-CG2 4.29Å; W74-V78 HydrophobicContact CZ2-CG2 3.83Å; W74-V78 PolarHBondContact O-N 3.27Å; E76-V78 PolarHBondContact O-N 3.32Å; V78-K80 VanDerWaalsContact C-N 3.33Å; V78-K80 PolarHBondContact O-N 2.76Å; V78-R81 WeakPolarHBondContact O-CB 3.5Å; V78-R81 PolarHBondContact O-N 2.77Å; V78-D82 PolarHBondContact O-N 2.82Å; V78-Y85 HydrophobicContact CG1-CD1 3.58Å; V78-Y85 HydrophobicContact CG1-CE1 4.19Å; V78-Y85 HydrophobicContact CG1-CG 3.86Å; V78-F86 HydrophobicContact CB-CE2 3.86Å; V78-F86 HydrophobicContact CB-CZ 3.86Å; V78-F86 HydrophobicContact CG1-CE2 3.78Å; V78-F86 HydrophobicContact CG1-CZ 3.73Å; V78-F86 HydrophobicContact CG2-CZ 4.18Å
79	R	96.4	Very high	96.1	Very high	20 Å²	20	56.6 Å²	56.6	8%	0.075	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-31.6	-179.6	-75.3	-179.9	-176.4	80.1	3.1	114.2	G75 E76 R81 D82 S83 F86	G75-R79 WeakPolarHBondContact O-CG 3.48Å; G75-R79 PolarHBondContact O-N 2.9Å; G75-R79 PolarHBondContact O-NH1 3.05Å; G75-R79 VanDerWaalsContact O-NH1 3.08Å; E76-R79 PolarHBondContact O-N 2.72Å; E76-R79 VanDerWaalsContact O-N 3.13Å; R79-R81 PolarHBondContact O-N 2.93Å; R79-D82 WeakPolarHBondContact CA-O 3.46Å; R79-D82 CarbonylContact O-C 3.57Å; R79-D82 VanDerWaalsContact O-C 3.25Å; R79-D82 PolarHBondContact O-N 2.67Å; R79-S83 VanDerWaalsContact O-CA 3.3Å; R79-S83 WeakPolarHBondContact O-CA 3.35Å; R79-S83 PolarHBondContact O-N 3.49Å; R79-F86 HydrophobicContact CG-CD2 4.16Å; R79-F86 HydrophobicContact CG-CE2 4.28Å; R79-F86 VanDerWaalsContact CZ-CD2 3.43Å
80	K	96	Very high	96.3	Very high	153 Å²	153	48.8 Å²	48.8	67%	0.665	24%	0.241	S	C	*	.	H	α-helix	trans	-60.8	-31.5	172.6	-76.6	174.2	-175.7	172.1	0	112.7	E76 E77 V78	E76-K80 WeakPolarHBondContact O-CG 3.23Å; E76-K80 PolarHBondContact O-N 3.07Å; E77-K80 IonicContact OE1-NZ 2.69Å; E77-K80 PolarHBondContact OE1-NZ 2.9Å; E77-K80 IonicContact OE2-NZ 3.2Å; V78-K80 VanDerWaalsContact C-N 3.33Å; V78-K80 PolarHBondContact O-N 2.76Å
81	R	97.7	Very high	96.3	Very high	191 Å²	191	47.6 Å²	47.6	72%	0.721	23%	0.227	S	C	*	.	H	α-helix	trans	-84.9	-40.1	176.2	-71.7	173.8	-90.4	176.3	-8.9	111.4	E77 V78 R79	E77-R81 PolarHBondContact O-NE 2.69Å; E77-R81 PolarHBondContact O-NH2 2.81Å; V78-R81 WeakPolarHBondContact O-CB 3.5Å; V78-R81 PolarHBondContact O-N 2.77Å; R79-R81 PolarHBondContact O-N 2.93Å
82	D	98	Very high	96.2	Very high	55 Å²	55	53.3 Å²	53.3	29%	0.294	25%	0.253	S	S	.	.			trans	-153.1	100.8	178.9	-175.5	-21.5	0	0	0	110.7	V78 R79 A84 Y85 R88	V78-D82 PolarHBondContact O-N 2.82Å; R79-D82 WeakPolarHBondContact CA-O 3.46Å; R79-D82 CarbonylContact O-C 3.57Å; R79-D82 VanDerWaalsContact O-C 3.25Å; R79-D82 PolarHBondContact O-N 2.67Å; D82-A84 PolarHBondContact O-N 2.76Å; D82-A84 VanDerWaalsContact O-N 3.16Å; D82-A84 PolarHBondContact OD1-N 2.79Å; D82-Y85 WeakPolarHBondContact O-CB 3.46Å; D82-Y85 PolarHBondContact O-N 2.92Å; D82-Y85 PolarHBondContact OD1-N 2.8Å; D82-Y85 VanDerWaalsContact OD1-N 3.15Å; D82-R88 IonicContact OD1-CZ 2.83Å; D82-R88 IonicContact OD1-NH1 2.67Å; D82-R88 PolarHBondContact OD1-NH1 3.29Å; D82-R88 IonicContact OD1-NH2 3.93Å; D82-R88 IonicContact OD2-CZ 3.78Å; D82-R88 VanDerWaalsContact OD2-CZ 3.29Å; D82-R88 IonicContact OD2-NH1 3.64Å; D82-R88 PolarHBondContact OD2-NH1 3.06Å; D82-R88 VanDerWaalsContact OD2-NH1 3.1Å; D82-R88 IonicContact OD2-NH2 3.62Å; D82-R88 PolarHBondContact OD2-NH2 3.32Å
83	S	96.5	Very high	96.1	Very high	56 Å²	56	55 Å²	55	39%	0.392	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.8	-175.6	62.3	0	0	0	0	113.2	R79	R79-S83 VanDerWaalsContact O-CA 3.3Å; R79-S83 WeakPolarHBondContact O-CA 3.35Å; R79-S83 PolarHBondContact O-N 3.49Å
84	A	96.7	Very high	95.9	Very high	12 Å²	12	52.7 Å²	52.7	10%	0.099	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-1.9	-177.3	0	0	0	0	0	113.4	D82 F86 C87 R88 F120	D82-A84 PolarHBondContact O-N 2.76Å; D82-A84 VanDerWaalsContact O-N 3.16Å; D82-A84 PolarHBondContact OD1-N 2.79Å; A84-F86 PolarHBondContact O-N 2.86Å; A84-C87 PolarHBondContact O-N 3.23Å; A84-C87 VanDerWaalsContact O-N 3.15Å; A84-R88 PolarHBondContact O-N 2.82Å; A84-F120 HydrophobicContact CB-CB 4.5Å; A84-F120 HydrophobicContact CB-CD2 3.4Å; A84-F120 HydrophobicContact CB-CE2 3.81Å; A84-F120 HydrophobicContact CB-CG 4.04Å
85	Y	98.1	Very high	95.5	Very high	71 Å²	71	53.7 Å²	53.7	28%	0.278	25%	0.253	S	S	.	.	H	α-helix	trans	-51.3	-58.1	-174.7	-178.4	-95.7	0	0	0	113	E45 V78 D82 C87 R88 L89	E45-Y85 PolarHBondContact OE1-OH 2.79Å; E45-Y85 WeakPolarHBondContact OE2-CE1 3.41Å; E45-Y85 PolarHBondContact OE2-OH 3.36Å; V78-Y85 HydrophobicContact CG1-CD1 3.58Å; V78-Y85 HydrophobicContact CG1-CE1 4.19Å; V78-Y85 HydrophobicContact CG1-CG 3.86Å; D82-Y85 WeakPolarHBondContact O-CB 3.46Å; D82-Y85 PolarHBondContact O-N 2.92Å; D82-Y85 PolarHBondContact OD1-N 2.8Å; D82-Y85 VanDerWaalsContact OD1-N 3.15Å; Y85-C87 VanDerWaalsContact C-N 3.31Å; Y85-C87 PolarHBondContact O-N 3.49Å; Y85-R88 PolarHBondContact O-N 2.99Å; Y85-L89 HydrophobicContact CD1-CD1 3.98Å; Y85-L89 HydrophobicContact CE1-CD1 3.36Å; Y85-L89 HydrophobicContact CE1-CG 4.35Å; Y85-L89 PolarHBondContact O-N 3.33Å; Y85-L89 VanDerWaalsContact O-N 3.12Å
86	F	97.8	Very high	95	Very high	1 Å²	1	58.6 Å²	58.6	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-68.5	-29.9	-179.1	-61.7	-63.5	0	0	0	112.9	I38 P41 L42 W74 V78 R79 A84 A90	I38-F86 HydrophobicContact CG2-CB 4.12Å; P41-F86 HydrophobicContact CB-CD1 4.34Å; P41-F86 HydrophobicContact CG-CB 4.31Å; P41-F86 HydrophobicContact CG-CD1 4.4Å; P41-F86 WeakPolarHBondContact CG-O 3.22Å; L42-F86 HydrophobicContact CB-CD1 3.91Å; L42-F86 HydrophobicContact CB-CE1 3.88Å; L42-F86 HydrophobicContact CB-CG 4.31Å; L42-F86 HydrophobicContact CB-CZ 4.23Å; L42-F86 HydrophobicContact CD1-CE1 4.26Å; L42-F86 HydrophobicContact CD1-CE2 4.34Å; L42-F86 HydrophobicContact CD1-CZ 3.87Å; W74-F86 HydrophobicContact CH2-CE1 4.16Å; W74-F86 HydrophobicContact CH2-CZ 4.08Å; W74-F86 HydrophobicContact CZ3-CE1 4.09Å; W74-F86 AromaticContact CZ3-CZ 3.85Å; W74-F86 HydrophobicContact CZ3-CZ 3.85Å; V78-F86 HydrophobicContact CB-CE2 3.86Å; V78-F86 HydrophobicContact CB-CZ 3.86Å; V78-F86 HydrophobicContact CG1-CE2 3.78Å; V78-F86 HydrophobicContact CG1-CZ 3.73Å; V78-F86 HydrophobicContact CG2-CZ 4.18Å; R79-F86 HydrophobicContact CG-CD2 4.16Å; R79-F86 HydrophobicContact CG-CE2 4.28Å; R79-F86 VanDerWaalsContact CZ-CD2 3.43Å; A84-F86 PolarHBondContact O-N 2.86Å; F86-A90 VanDerWaalsContact O-CB 3.26Å; F86-A90 WeakPolarHBondContact O-CB 3.46Å; F86-A90 PolarHBondContact O-N 2.81Å
87	C	97	Very high	94.7	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.007	31%	0.311	C	S	.	.	H	α-helix	trans	-67.1	-42.9	176.4	-57.4	0	0	0	0	111.1	A84 Y85 A90 I91 F120 F121	A84-C87 PolarHBondContact O-N 3.23Å; A84-C87 VanDerWaalsContact O-N 3.15Å; Y85-C87 VanDerWaalsContact C-N 3.31Å; Y85-C87 PolarHBondContact O-N 3.49Å; C87-A90 PolarHBondContact O-N 3Å; C87-I91 WeakPolarHBondContact O-CG1 3.12Å; C87-I91 PolarHBondContact O-N 2.65Å; C87-I91 VanDerWaalsContact O-N 3.08Å; C87-F120 HydrophobicContact CB-CD1 3.21Å; C87-F120 HydrophobicContact CB-CE1 3.26Å; C87-F120 HydrophobicContact CB-CG 3.94Å; C87-F120 HydrophobicContact CB-CZ 4.05Å; C87-F121 HydrophobicContact CB-CE2 3.8Å; C87-F121 HydrophobicContact CB-CZ 3.86Å
88	R	96.2	Very high	94.2	Very high	91 Å²	91	65 Å²	65	34%	0.343	31%	0.314	S	S	.	.	H	α-helix	trans	-62.9	-45.9	175.1	-70.5	-168.6	-49.8	-89.6	-2.9	111.8	D82 A84 Y85 A90 I91 Q92 F120	D82-R88 IonicContact OD1-CZ 2.83Å; D82-R88 IonicContact OD1-NH1 2.67Å; D82-R88 PolarHBondContact OD1-NH1 3.29Å; D82-R88 IonicContact OD1-NH2 3.93Å; D82-R88 IonicContact OD2-CZ 3.78Å; D82-R88 VanDerWaalsContact OD2-CZ 3.29Å; D82-R88 IonicContact OD2-NH1 3.64Å; D82-R88 PolarHBondContact OD2-NH1 3.06Å; D82-R88 VanDerWaalsContact OD2-NH1 3.1Å; D82-R88 IonicContact OD2-NH2 3.62Å; D82-R88 PolarHBondContact OD2-NH2 3.32Å; A84-R88 PolarHBondContact O-N 2.82Å; Y85-R88 PolarHBondContact O-N 2.99Å; R88-A90 VanDerWaalsContact C-N 3.34Å; R88-A90 PolarHBondContact O-N 3.18Å; R88-I91 PolarHBondContact O-N 2.81Å; R88-Q92 VanDerWaalsContact O-CG 3.31Å; R88-Q92 WeakPolarHBondContact O-CG 3.24Å; R88-Q92 PolarHBondContact O-N 3.49Å; R88-F120 HydrophobicContact CB-CZ 4.45Å; R88-F120 HydrophobicContact CG-CE2 3.62Å; R88-F120 HydrophobicContact CG-CZ 3.5Å
89	L	96.7	Very high	93.8	Very high	35 Å²	35	67.4 Å²	67.4	18%	0.183	33%	0.326	C	S	.	.	H	α-helix	trans	-60.5	-43.8	176.3	-70	-180	0	0	0	111.9	P41 E45 Y85 I91 Q92 E93	P41-L89 HydrophobicContact CB-CB 3.65Å; P41-L89 HydrophobicContact CB-CD1 3.91Å; P41-L89 HydrophobicContact CB-CG 4.47Å; P41-L89 HydrophobicContact CG-CB 3.98Å; E45-L89 VanDerWaalsContact OE1-CD1 3.26Å; E45-L89 WeakPolarHBondContact OE1-CD1 3.43Å; Y85-L89 HydrophobicContact CD1-CD1 3.98Å; Y85-L89 HydrophobicContact CE1-CD1 3.36Å; Y85-L89 HydrophobicContact CE1-CG 4.35Å; Y85-L89 PolarHBondContact O-N 3.33Å; Y85-L89 VanDerWaalsContact O-N 3.12Å; L89-I91 VanDerWaalsContact C-N 3.33Å; L89-I91 PolarHBondContact O-N 2.92Å; L89-Q92 PolarHBondContact O-N 3.15Å; L89-E93 WeakPolarHBondContact O-CG 3.38Å; L89-E93 PolarHBondContact O-N 2.85Å
90	A	95.7	Very high	93.5	Very high	3 Å²	3	74.7 Å²	74.7	3%	0.025	36%	0.361	C	S	.	.	H	α-helix	trans	-63.5	-38.1	-179.5	0	0	0	0	0	112.2	I36 P41 F86 C87 R88 A94	I36-A90 HydrophobicContact CG2-CB 3.52Å; P41-A90 HydrophobicContact CG-CB 4.03Å; F86-A90 VanDerWaalsContact O-CB 3.26Å; F86-A90 WeakPolarHBondContact O-CB 3.46Å; F86-A90 PolarHBondContact O-N 2.81Å; C87-A90 PolarHBondContact O-N 3Å; R88-A90 VanDerWaalsContact C-N 3.34Å; R88-A90 PolarHBondContact O-N 3.18Å; A90-A94 VanDerWaalsContact O-CB 3.31Å; A90-A94 WeakPolarHBondContact O-CB 3.48Å; A90-A94 PolarHBondContact O-N 3.31Å
91	I	93.2	Very high	93.3	Very high	29 Å²	29	73.7 Å²	73.7	15%	0.149	36%	0.363	C	S	.	.	H	α-helix	trans	-64.4	-49	171.8	-68.6	174.7	0	0	0	110.6	I36 C87 R88 L89 E93 A94 V95 F120 F121 F125	I36-I91 HydrophobicContact CD1-CG1 4.24Å; C87-I91 WeakPolarHBondContact O-CG1 3.12Å; C87-I91 PolarHBondContact O-N 2.65Å; C87-I91 VanDerWaalsContact O-N 3.08Å; R88-I91 PolarHBondContact O-N 2.81Å; L89-I91 VanDerWaalsContact C-N 3.33Å; L89-I91 PolarHBondContact O-N 2.92Å; I91-E93 VanDerWaalsContact C-N 3.29Å; I91-E93 PolarHBondContact O-N 3.5Å; I91-A94 PolarHBondContact O-N 2.99Å; I91-V95 HydrophobicContact CG2-CG2 3.75Å; I91-V95 VanDerWaalsContact O-CG2 3.29Å; I91-V95 WeakPolarHBondContact O-CG2 3.34Å; I91-V95 PolarHBondContact O-N 3.49Å; I91-F120 HydrophobicContact CD1-CE1 3.64Å; I91-F120 HydrophobicContact CD1-CZ 4Å; I91-F121 HydrophobicContact CD1-CD1 4.09Å; I91-F121 HydrophobicContact CD1-CE1 3.59Å; I91-F121 HydrophobicContact CD1-CZ 4.47Å; I91-F121 HydrophobicContact CG1-CE1 3.67Å; I91-F121 HydrophobicContact CG1-CZ 4.37Å; I91-F125 HydrophobicContact CD1-CE2 4.38Å
92	Q	93	Very high	93.1	Very high	132 Å²	132	65.2 Å²	65.2	62%	0.617	33%	0.334	S	S	*	.	H	α-helix	trans	-57.6	-41.8	-178	-74.3	171.5	-9.2	0	0	112.1	R88 L89	R88-Q92 VanDerWaalsContact O-CG 3.31Å; R88-Q92 WeakPolarHBondContact O-CG 3.24Å; R88-Q92 PolarHBondContact O-N 3.49Å; L89-Q92 PolarHBondContact O-N 3.15Å
93	E	90.3	Very high	92.8	Very high	69 Å²	69	66.6 Å²	66.6	32%	0.322	34%	0.342	S	S	.	.	H	α-helix	trans	-63.3	-42.6	174.4	-69.4	-174.2	177.9	0	0	111.7	R44 L89 I91 S96	R44-E93 IonicContact CZ-OE1 2.84Å; R44-E93 IonicContact CZ-OE2 2.91Å; R44-E93 IonicContact NE-OE1 2.7Å; R44-E93 PolarHBondContact NE-OE1 2.88Å; R44-E93 IonicContact NE-OE2 3.16Å; R44-E93 IonicContact NH2-OE1 3.85Å; R44-E93 PolarHBondContact NH2-OE1 3.3Å; R44-E93 VanDerWaalsContact NH2-OE1 3.16Å; R44-E93 IonicContact NH2-OE2 3.34Å; R44-E93 PolarHBondContact NH2-OE2 3.21Å; L89-E93 WeakPolarHBondContact O-CG 3.38Å; L89-E93 PolarHBondContact O-N 2.85Å; I91-E93 VanDerWaalsContact C-N 3.29Å; I91-E93 PolarHBondContact O-N 3.5Å; E93-S96 PolarHBondContact O-OG 3.38Å
94	A	91	Very high	92.5	Very high	6 Å²	6	64.3 Å²	64.3	5%	0.05	33%	0.325	C	S	.	.	H	α-helix	trans	-82.9	-22.5	-172.4	0	0	0	0	0	115.2	I34 I36 A90 I91 S96 L97 W107	I34-A94 HydrophobicContact CG2-CB 3.91Å; I36-A94 HydrophobicContact CD1-CB 3.76Å; I36-A94 HydrophobicContact CG1-CB 3.56Å; A90-A94 VanDerWaalsContact O-CB 3.31Å; A90-A94 WeakPolarHBondContact O-CB 3.48Å; A90-A94 PolarHBondContact O-N 3.31Å; I91-A94 PolarHBondContact O-N 2.99Å; A94-S96 PolarHBondContact O-N 3.27Å; A94-L97 VanDerWaalsContact O-CB 3.31Å; A94-L97 WeakPolarHBondContact O-CB 3.43Å; A94-L97 PolarHBondContact O-N 3.29Å; A94-W107 HydrophobicContact CB-CZ3 4.08Å
95	V	88.1	Confident	92.3	Very high	76 Å²	76	65.4 Å²	65.4	46%	0.461	33%	0.331	S	S	.	.	H	α-helix	trans	-58.5	-32.9	179.6	163.8	0	0	0	0	112.4	I91 L97 R98 W107	I91-V95 HydrophobicContact CG2-CG2 3.75Å; I91-V95 VanDerWaalsContact O-CG2 3.29Å; I91-V95 WeakPolarHBondContact O-CG2 3.34Å; I91-V95 PolarHBondContact O-N 3.49Å; V95-L97 PolarHBondContact O-N 3.36Å; V95-R98 WeakPolarHBondContact O-CB 3.5Å; V95-R98 PolarHBondContact O-N 3.18Å; V95-W107 HydrophobicContact CG2-CH2 3.87Å
96	S	87.4	Confident	92.1	Very high	103 Å²	103	62.4 Å²	62.4	72%	0.72	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.1	175	68.1	0	0	0	0	114.8	E93 A94	E93-S96 PolarHBondContact O-OG 3.38Å; A94-S96 PolarHBondContact O-N 3.27Å
97	L	87.8	Confident	91.9	Very high	115 Å²	115	63.4 Å²	63.4	60%	0.602	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-7	179.8	-56.2	176.5	0	0	0	112.9	I34 A94 V95 N99	I34-L97 HydrophobicContact CG2-CB 4.28Å; I34-L97 HydrophobicContact CG2-CD1 4.4Å; A94-L97 VanDerWaalsContact O-CB 3.31Å; A94-L97 WeakPolarHBondContact O-CB 3.43Å; A94-L97 PolarHBondContact O-N 3.29Å; V95-L97 PolarHBondContact O-N 3.36Å; L97-N99 PolarHBondContact O-N 3Å
98	R	86.1	Confident	91.9	Very high	128 Å²	128	63.4 Å²	63.4	48%	0.483	32%	0.323	S	S	.	.			trans	-67.4	129.1	-177.3	-175.5	178.1	178.8	-141.1	-6.8	110.1	I34 V95 E100 T105	I34-R98 HydrophobicContact CD1-CB 3.77Å; I34-R98 HydrophobicContact CD1-CG 4.13Å; V95-R98 WeakPolarHBondContact O-CB 3.5Å; V95-R98 PolarHBondContact O-N 3.18Å; R98-E100 PolarHBondContact O-N 3.46Å; R98-T105 HydrophobicContact CG-CG2 4.37Å; R98-T105 PolarHBondContact NE-OG1 3.03Å
99	N	90.3	Very high	91.9	Very high	68 Å²	68	59 Å²	59	36%	0.364	31%	0.307	S	S	.	.			trans	-79.2	115.8	166.4	-178.2	4.1	0	0	0	108.7	S32 L97 D101 A102	S32-N99 PolarHBondContact OG-N 3.13Å; L97-N99 PolarHBondContact O-N 3Å; N99-D101 PolarHBondContact O-N 3.33Å; N99-D101 PolarHBondContact OD1-N 3.22Å; N99-A102 HydrophobicContact CB-CB 4.21Å; N99-A102 WeakPolarHBondContact O-CB 3.36Å; N99-A102 PolarHBondContact O-N 2.98Å
100	E	89.6	Confident	91.8	Very high	173 Å²	173	57.4 Å²	57.4	81%	0.808	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-25.4	-179.7	-64	-171.2	164	0	0	112.7	R98 A102	R98-E100 PolarHBondContact O-N 3.46Å; E100-A102 VanDerWaalsContact C-N 3.28Å; E100-A102 PolarHBondContact O-N 2.89Å
101	D	93	Very high	91.7	Very high	132 Å²	132	57.7 Å²	57.7	71%	0.706	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	4	179.2	-60.4	-43.2	0	0	0	113.3	N99	N99-D101 PolarHBondContact O-N 3.33Å; N99-D101 PolarHBondContact OD1-N 3.22Å
102	A	92.8	Very high	91.8	Very high	14 Å²	14	56.5 Å²	56.5	12%	0.116	29%	0.293	C	S	.	.			trans	-81.4	130.1	-178.3	0	0	0	0	0	112.8	I30 N99 E100 I104	I30-A102 HydrophobicContact CG2-CB 4.22Å; I30-A102 CarbonylContact O-C 3.25Å; N99-A102 HydrophobicContact CB-CB 4.21Å; N99-A102 WeakPolarHBondContact O-CB 3.36Å; N99-A102 PolarHBondContact O-N 2.98Å; E100-A102 VanDerWaalsContact C-N 3.28Å; E100-A102 PolarHBondContact O-N 2.89Å; A102-I104 VanDerWaalsContact C-N 3.29Å; A102-I104 PolarHBondContact O-N 2.94Å
103	D	91.4	Very high	91.9	Very high	84 Å²	84	52.9 Å²	52.9	45%	0.449	27%	0.274	S	S	.	.	S	Bend	trans	-63.9	-34.5	172.9	-58.9	-62.1	0	0	0	112.3	E29 I30	E29-D103 HydrophobicContact CB-CB 3.86Å; E29-D103 HydrophobicContact CG-CB 4.47Å; I30-D103 WeakPolarHBondContact CB-OD2 3.32Å; I30-D103 PolarHBondContact N-OD2 2.68Å; I30-D103 PolarHBondContact O-N 3.47Å
104	I	90.7	Very high	92.2	Very high	8 Å²	8	50.1 Å²	50.1	4%	0.041	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.6	179.8	-61.8	178.9	0	0	0	109.4	E29 I30 I31 S32 A102 V106 L192 T195	E29-I104 WeakPolarHBondContact OE2-CD1 3.11Å; I30-I104 PolarHBondContact O-N 3.36Å; I31-I104 CarbonylContact C-O 3.56Å; I31-I104 WeakPolarHBondContact CA-O 3.39Å; I31-I104 HydrophobicContact CD1-CG2 4.24Å; I31-I104 HydrophobicContact CG1-CB 4.15Å; I31-I104 HydrophobicContact CG1-CG2 4.1Å; S32-I104 PolarHBondContact N-O 3.45Å; A102-I104 VanDerWaalsContact C-N 3.29Å; A102-I104 PolarHBondContact O-N 2.94Å; I104-V106 HydrophobicContact CG2-CG2 3.83Å; I104-L192 HydrophobicContact CD1-CD2 4.15Å; I104-T195 HydrophobicContact CD1-CG2 4.04Å; I104-T195 HydrophobicContact CG1-CG2 4.2Å; I104-T195 HydrophobicContact CG2-CG2 4.23Å
105	T	91.8	Very high	92.4	Very high	35 Å²	35	52.5 Å²	52.5	22%	0.215	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.1	166.9	-54.7	0	0	0	0	110.2	S32 I34 R98 W107	S32-T105 CarbonylContact O-C 3.47Å; S32-T105 WeakPolarHBondContact O-CA 3.49Å; I34-T105 HydrophobicContact CD1-CG2 3.71Å; I34-T105 HydrophobicContact CG1-CG2 4.47Å; R98-T105 HydrophobicContact CG-CG2 4.37Å; R98-T105 PolarHBondContact NE-OG1 3.03Å; T105-W107 HydrophobicContact CG2-CD2 4.45Å; T105-W107 HydrophobicContact CG2-CZ2 4.19Å
106	V	93.8	Very high	92.7	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.042	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	109.1	173.7	-171.5	0	0	0	0	110.4	L2 L23 I31 S32 I33 I34 I104 I108	L2-V106 HydrophobicContact CD1-CG1 4.07Å; L2-V106 HydrophobicContact CG-CG1 4.05Å; L23-V106 HydrophobicContact CD1-CB 4.26Å; L23-V106 HydrophobicContact CD1-CG1 3.78Å; L23-V106 HydrophobicContact CD1-CG2 4.31Å; I31-V106 HydrophobicContact CD1-CG2 3.8Å; I31-V106 HydrophobicContact CG1-CG2 4.16Å; S32-V106 PolarHBondContact O-N 3.13Å; I33-V106 WeakPolarHBondContact CA-O 3.43Å; I34-V106 PolarHBondContact N-O 2.83Å; I104-V106 HydrophobicContact CG2-CG2 3.83Å; V106-I108 HydrophobicContact CG1-CG1 4.17Å
107	W	94.6	Very high	93.1	Very high	23 Å²	23	45.5 Å²	45.5	9%	0.087	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	123.9	168.1	-56	93.3	0	0	0	110.1	M1 L2 I34 I36 A94 V95 T105 I109 F125	M1-W107 CarbonylContact C-O 3.54Å; M1-W107 VanDerWaalsContact CA-O 3.23Å; M1-W107 WeakPolarHBondContact CA-O 3.37Å; M1-W107 HydrophobicContact CB-CB 4.42Å; M1-W107 HydrophobicContact CE-CB 3.68Å; M1-W107 HydrophobicContact CE-CG 4.07Å; L2-W107 PolarHBondContact N-O 3.14Å; I34-W107 HydrophobicContact CB-CD2 4.39Å; I34-W107 HydrophobicContact CB-CE3 3.72Å; I34-W107 HydrophobicContact CB-CZ3 3.98Å; I34-W107 HydrophobicContact CD1-CD2 4.19Å; I34-W107 HydrophobicContact CD1-CE3 3.9Å; I34-W107 HydrophobicContact CD1-CH2 3.59Å; I34-W107 HydrophobicContact CD1-CZ2 3.85Å; I34-W107 HydrophobicContact CD1-CZ3 3.62Å; I34-W107 HydrophobicContact CG1-CE3 4.41Å; I34-W107 HydrophobicContact CG1-CZ3 4.41Å; I34-W107 HydrophobicContact CG2-CE3 3.71Å; I34-W107 HydrophobicContact CG2-CZ3 3.57Å; I36-W107 HydrophobicContact CD1-CD2 4.43Å; I36-W107 HydrophobicContact CD1-CE3 3.37Å; I36-W107 HydrophobicContact CD1-CZ3 3.7Å; I36-W107 HydrophobicContact CG1-CE3 4Å; I36-W107 HydrophobicContact CG1-CZ3 4.38Å; A94-W107 HydrophobicContact CB-CZ3 4.08Å; V95-W107 HydrophobicContact CG2-CH2 3.87Å; T105-W107 HydrophobicContact CG2-CD2 4.45Å; T105-W107 HydrophobicContact CG2-CZ2 4.19Å; W107-I109 HydrophobicContact CB-CD1 4.35Å; W107-F125 AromaticContact CD1-CE1 3.76Å; W107-F125 HydrophobicContact CD2-CE1 4.47Å; W107-F125 HydrophobicContact CD2-CZ 4.37Å; W107-F125 AromaticContact CE2-CE1 3.98Å; W107-F125 HydrophobicContact CG-CE1 4.33Å; W107-F125 HydrophobicContact CG-CZ 4.33Å; W107-F125 AromaticContact NE1-CE1 3.54Å
108	I	96.4	Very high	93.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	102.5	173.1	-52.6	-175.9	0	0	0	107.6	L2 L19 E20 L23 I33 I34 I36 V106 C110	L2-I108 HydrophobicContact CD1-CD1 4.49Å; L2-I108 HydrophobicContact CD1-CG1 4.2Å; L19-I108 HydrophobicContact CB-CD1 4.07Å; E20-I108 HydrophobicContact CG-CD1 3.63Å; L23-I108 HydrophobicContact CD1-CD1 4.36Å; I33-I108 HydrophobicContact CG2-CD1 3.74Å; I33-I108 HydrophobicContact CG2-CG1 4.2Å; I34-I108 PolarHBondContact O-N 3.01Å; I36-I108 PolarHBondContact N-O 3.1Å; V106-I108 HydrophobicContact CG1-CG1 4.17Å; I108-C110 PolarHBondContact O-N 2.93Å
109	I	96.6	Very high	93.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	99.7	178.2	-48.7	-51.4	0	0	0	108.3	M1 L2 L3 L4 I36 I38 W107 C112 F121	M1-I109 HydrophobicContact CE-CD1 3.82Å; M1-I109 HydrophobicContact CE-CG1 3.97Å; M1-I109 HydrophobicContact CG-CG1 4.12Å; M1-I109 HydrophobicContact SD-CG1 4.07Å; L2-I109 PolarHBondContact O-N 2.92Å; L3-I109 HydrophobicContact CD2-CB 3.79Å; L3-I109 HydrophobicContact CD2-CG1 3.52Å; L3-I109 HydrophobicContact CD2-CG2 4.41Å; L4-I109 WeakPolarHBondContact CB-O 3.42Å; L4-I109 PolarHBondContact N-O 3.28Å; I36-I109 HydrophobicContact CB-CD1 3.78Å; I36-I109 HydrophobicContact CD1-CD1 3.66Å; I36-I109 HydrophobicContact CG1-CD1 4.04Å; I36-I109 HydrophobicContact CG2-CD1 4.23Å; I38-I109 HydrophobicContact CD1-CG2 3.73Å; I38-I109 HydrophobicContact CG1-CG2 3.94Å; W107-I109 HydrophobicContact CB-CD1 4.35Å; I109-C112 VanDerWaalsContact CG2-SG 3.58Å; I109-F121 HydrophobicContact CD1-CD1 3.79Å; I109-F121 HydrophobicContact CD1-CE1 3.47Å; I109-F121 VanDerWaalsContact CD1-CE1 3.47Å; I109-F121 HydrophobicContact CD1-CZ 4Å; I109-F121 HydrophobicContact CG1-CD1 3.8Å; I109-F121 HydrophobicContact CG1-CD2 4.33Å; I109-F121 HydrophobicContact CG1-CE1 3.88Å; I109-F121 HydrophobicContact CG1-CE2 4.47Å; I109-F121 HydrophobicContact CG1-CG 4.04Å; I109-F121 HydrophobicContact CG1-CZ 4.25Å; I109-F121 HydrophobicContact CG2-CD1 4.48Å; I109-F121 HydrophobicContact CG2-CD2 3.72Å; I109-F121 HydrophobicContact CG2-CE1 4.14Å; I109-F121 HydrophobicContact CG2-CE2 3.39Å; I109-F121 HydrophobicContact CG2-CG 4.29Å; I109-F121 HydrophobicContact CG2-CZ 3.62Å
110	C	95.3	Very high	94	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	150.1	173.9	-63	0	0	0	0	110.7	I36 H37 I38 I108	I36-C110 WeakPolarHBondContact O-CA 3.42Å; I36-C110 WeakPolarHBondContact O-CB 3.4Å; I36-C110 PolarHBondContact O-N 2.9Å; H37-C110 WeakPolarHBondContact ND1-CB 3.41Å; I38-C110 PolarHBondContact N-O 3.48Å; I108-C110 PolarHBondContact O-N 2.93Å
111	D	91.9	Very high	94.1	Very high	10 Å²	10	27.6 Å²	27.6	5%	0.053	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.7	29	175	-53	-44.9	0	0	0	114.5	K12 H37 S39 R113	K12-D111 WeakPolarHBondContact CE-OD1 3.17Å; K12-D111 IonicContact NZ-OD1 2.72Å; K12-D111 PolarHBondContact NZ-OD1 2.6Å; H37-D111 IonicContact ND1-OD2 2.97Å; H37-D111 PolarHBondContact ND1-OD2 3.26Å; S39-D111 WeakPolarHBondContact CB-OD2 3.33Å; S39-D111 PolarHBondContact OG-OD2 3.35Å; D111-R113 WeakPolarHBondContact O-CG 3.29Å; D111-R113 PolarHBondContact O-N 3.38Å; D111-R113 VanDerWaalsContact O-N 3.15Å
112	C	96.4	Very high	94	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.02	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	118.7	164.4	-65.5	0	0	0	0	108.6	L4 A5 I109 I118	L4-C112 PolarHBondContact O-N 2.98Å; A5-C112 HydrophobicContact CB-CB 4.25Å; A5-C112 WeakPolarHBondContact CB-O 3.37Å; I109-C112 VanDerWaalsContact CG2-SG 3.58Å; C112-I118 HydrophobicContact CB-CD1 3.85Å
113	R	95.6	Very high	93.8	Very high	57 Å²	57	29.9 Å²	29.9	22%	0.215	15%	0.154	C	C	.	.			trans	-126.8	-20.1	-176.3	-73.2	173.3	-175.7	-81.7	-3.2	112.7	D111 D117 T159 E160 D162	D111-R113 WeakPolarHBondContact O-CG 3.29Å; D111-R113 PolarHBondContact O-N 3.38Å; D111-R113 VanDerWaalsContact O-N 3.15Å; R113-D117 PolarHBondContact N-OD2 2.73Å; R113-T159 WeakPolarHBondContact CD-O 3.31Å; R113-T159 WeakPolarHBondContact CG-O 3.45Å; R113-T159 PolarHBondContact NH1-O 3.18Å; R113-E160 IonicContact CZ-OE1 2.82Å; R113-E160 IonicContact NH1-OE1 3.66Å; R113-E160 PolarHBondContact NH1-OE1 2.96Å; R113-E160 IonicContact NH1-OE2 2.63Å; R113-E160 IonicContact NH2-OE1 3.86Å; R113-D162 WeakPolarHBondContact O-CB 3.49Å
114	R	95.2	Very high	93.5	Very high	10 Å²	10	28.3 Å²	28.3	4%	0.038	15%	0.15	C	C	.	.	S	Bend	trans	-126.6	153.3	-176.2	-66	167.1	-155.8	67.7	1.8	112.6	E76 S116 D117 I118 E158 D162	E76-R114 IonicContact OE1-CZ 3.9Å; E76-R114 IonicContact OE1-NE 2.81Å; E76-R114 IonicContact OE1-NH2 3.12Å; E76-R114 PolarHBondContact OE1-NH2 3.08Å; E76-R114 IonicContact OE2-CZ 2.67Å; E76-R114 IonicContact OE2-NE 3.91Å; E76-R114 PolarHBondContact OE2-NE 3.22Å; E76-R114 IonicContact OE2-NH2 3.1Å; E76-R114 PolarHBondContact OE2-NH2 2.97Å; R114-S116 PolarHBondContact O-N 3.25Å; R114-D117 PolarHBondContact N-OD2 3.27Å; R114-D117 IonicContact NH1-OD2 3.54Å; R114-D117 VanDerWaalsContact O-CB 3.32Å; R114-D117 WeakPolarHBondContact O-CB 3.25Å; R114-D117 PolarHBondContact O-N 3.22Å; R114-I118 PolarHBondContact O-N 3.21Å; R114-E158 HydrophobicContact CG-CG 4.41Å; R114-E158 IonicContact NE-OE1 3.7Å; R114-D162 WeakPolarHBondContact CA-OD2 3.31Å; R114-D162 WeakPolarHBondContact CB-OD2 3.19Å
115	H	95.3	Very high	92.9	Very high	56 Å²	56	30.4 Å²	30.4	26%	0.259	16%	0.159	S	C	.	.	H	α-helix	trans	-55.7	-34.7	170.8	-81	-74.7	0	0	0	112.5	D117 I118 T119 D162 D165 E166	H115-D117 VanDerWaalsContact C-N 3.31Å; H115-D117 PolarHBondContact O-N 3.09Å; H115-I118 PolarHBondContact O-N 3.36Å; H115-T119 WeakPolarHBondContact O-CB 3.43Å; H115-T119 PolarHBondContact O-N 3.43Å; H115-T119 PolarHBondContact O-OG1 2.71Å; H115-D162 PolarHBondContact CD2-O 2.67Å; H115-D162 IonicContact CD2-OD2 3.69Å; H115-D162 PolarHBondContact N-OD2 3.02Å; H115-D162 PolarHBondContact NE2-O 3.2Å; H115-D165 IonicContact CD2-OD1 3.88Å; H115-D165 IonicContact CE1-OD1 3.51Å; H115-D165 IonicContact NE2-OD1 2.69Å; H115-D165 PolarHBondContact NE2-OD1 3.03Å; H115-D165 IonicContact NE2-OD2 3.49Å; H115-E166 IonicContact CE1-OE2 3.67Å; H115-E166 IonicContact ND1-OE2 3.78Å
116	S	95.2	Very high	92	Very high	32 Å²	32	33.1 Å²	33.1	22%	0.224	17%	0.172	C	C	.	.	H	α-helix	trans	-64.4	-34	175.8	62.9	0	0	0	0	112.9	R114 F120	R114-S116 PolarHBondContact O-N 3.25Å; S116-F120 VanDerWaalsContact O-CB 3.25Å; S116-F120 WeakPolarHBondContact O-CB 2.86Å; S116-F120 PolarHBondContact O-N 2.87Å
117	D	95.7	Very high	90.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-51	176.1	-55.8	-28.4	0	0	0	108.6	I38 R113 R114 H115 T119 F120 F121	I38-D117 HydrophobicContact CD1-CB 4.03Å; R113-D117 PolarHBondContact N-OD2 2.73Å; R114-D117 PolarHBondContact N-OD2 3.27Å; R114-D117 IonicContact NH1-OD2 3.54Å; R114-D117 VanDerWaalsContact O-CB 3.32Å; R114-D117 WeakPolarHBondContact O-CB 3.25Å; R114-D117 PolarHBondContact O-N 3.22Å; H115-D117 VanDerWaalsContact C-N 3.31Å; H115-D117 PolarHBondContact O-N 3.09Å; D117-T119 PolarHBondContact O-N 2.9Å; D117-F120 PolarHBondContact O-N 3.29Å; D117-F121 WeakPolarHBondContact O-CD2 3.44Å; D117-F121 PolarHBondContact O-N 2.69Å; D117-F121 VanDerWaalsContact O-N 3.13Å
118	I	94	Very high	89.3	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-57.6	-52.5	179.8	-58.5	-60.3	0	0	0	110.8	L3 C112 R114 H115 F120 F121 E122 R133 L163	L3-I118 HydrophobicContact CB-CD1 3.89Å; L3-I118 HydrophobicContact CD1-CD1 3.99Å; L3-I118 HydrophobicContact CD1-CG2 4.04Å; C112-I118 HydrophobicContact CB-CD1 3.85Å; R114-I118 PolarHBondContact O-N 3.21Å; H115-I118 PolarHBondContact O-N 3.36Å; I118-F120 VanDerWaalsContact C-N 3.31Å; I118-F120 PolarHBondContact O-N 2.94Å; I118-F121 PolarHBondContact O-N 3.41Å; I118-E122 HydrophobicContact CG2-CG 4.39Å; I118-E122 WeakPolarHBondContact O-CG 3.44Å; I118-E122 PolarHBondContact O-N 3.32Å; I118-R133 HydrophobicContact CG2-CG 4.29Å; I118-R133 VanDerWaalsContact CG2-CZ 3.46Å; I118-L163 HydrophobicContact CG1-CD1 4.47Å; I118-L163 HydrophobicContact CG1-CD2 4.12Å
119	T	93.6	Very high	88.5	Confident	70 Å²	70	44.9 Å²	44.9	43%	0.429	24%	0.241	S	C	.	.	H	α-helix	trans	-59.3	-42	-179.2	-57.5	0	0	0	0	111.8	H115 D117 N123	H115-T119 WeakPolarHBondContact O-CB 3.43Å; H115-T119 PolarHBondContact O-N 3.43Å; H115-T119 PolarHBondContact O-OG1 2.71Å; D117-T119 PolarHBondContact O-N 2.9Å; T119-N123 WeakPolarHBondContact O-CB 3.29Å; T119-N123 VanDerWaalsContact O-CG 3.31Å; T119-N123 PolarHBondContact O-N 3.49Å; T119-N123 PolarHBondContact O-ND2 3.47Å
120	F	94.7	Very high	87.9	Confident	37 Å²	37	45.7 Å²	45.7	16%	0.162	25%	0.245	C	C	.	.	H	α-helix	trans	-61.1	-50.2	178.3	170.3	-96.1	0	0	0	111.4	A84 C87 R88 I91 S116 D117 I118 N123 S124	A84-F120 HydrophobicContact CB-CB 4.5Å; A84-F120 HydrophobicContact CB-CD2 3.4Å; A84-F120 HydrophobicContact CB-CE2 3.81Å; A84-F120 HydrophobicContact CB-CG 4.04Å; C87-F120 HydrophobicContact CB-CD1 3.21Å; C87-F120 HydrophobicContact CB-CE1 3.26Å; C87-F120 HydrophobicContact CB-CG 3.94Å; C87-F120 HydrophobicContact CB-CZ 4.05Å; R88-F120 HydrophobicContact CB-CZ 4.45Å; R88-F120 HydrophobicContact CG-CE2 3.62Å; R88-F120 HydrophobicContact CG-CZ 3.5Å; I91-F120 HydrophobicContact CD1-CE1 3.64Å; I91-F120 HydrophobicContact CD1-CZ 4Å; S116-F120 VanDerWaalsContact O-CB 3.25Å; S116-F120 WeakPolarHBondContact O-CB 2.86Å; S116-F120 PolarHBondContact O-N 2.87Å; D117-F120 PolarHBondContact O-N 3.29Å; I118-F120 VanDerWaalsContact C-N 3.31Å; I118-F120 PolarHBondContact O-N 2.94Å; F120-N123 PolarHBondContact O-N 3.39Å; F120-S124 WeakPolarHBondContact CE1-OG 3.41Å; F120-S124 WeakPolarHBondContact CZ-OG 3.43Å; F120-S124 WeakPolarHBondContact O-CB 3.41Å; F120-S124 PolarHBondContact O-N 3.06Å; F120-S124 VanDerWaalsContact O-N 3.08Å; F120-S124 PolarHBondContact O-OG 2.94Å
121	F	92.9	Very high	87.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-70.9	-34.8	-176.1	-78.2	-72.4	0	0	0	113.2	M1 L3 I38 C87 I91 I109 D117 I118 N123 S124	M1-F121 HydrophobicContact CE-CD1 4.01Å; M1-F121 HydrophobicContact SD-CB 3.8Å; M1-F121 HydrophobicContact SD-CD1 4.05Å; M1-F121 HydrophobicContact SD-CG 4.3Å; L3-F121 HydrophobicContact CD1-CB 4.31Å; L3-F121 HydrophobicContact CD2-CB 3.55Å; L3-F121 HydrophobicContact CD2-CD2 4.39Å; L3-F121 HydrophobicContact CD2-CG 4.03Å; I38-F121 HydrophobicContact CD1-CE2 3.71Å; I38-F121 HydrophobicContact CD1-CZ 4.46Å; I38-F121 HydrophobicContact CG1-CE2 4.01Å; I38-F121 HydrophobicContact CG1-CZ 4.28Å; C87-F121 HydrophobicContact CB-CE2 3.8Å; C87-F121 HydrophobicContact CB-CZ 3.86Å; I91-F121 HydrophobicContact CD1-CD1 4.09Å; I91-F121 HydrophobicContact CD1-CE1 3.59Å; I91-F121 HydrophobicContact CD1-CZ 4.47Å; I91-F121 HydrophobicContact CG1-CE1 3.67Å; I91-F121 HydrophobicContact CG1-CZ 4.37Å; I109-F121 HydrophobicContact CD1-CD1 3.79Å; I109-F121 HydrophobicContact CD1-CE1 3.47Å; I109-F121 VanDerWaalsContact CD1-CE1 3.47Å; I109-F121 HydrophobicContact CD1-CZ 4Å; I109-F121 HydrophobicContact CG1-CD1 3.8Å; I109-F121 HydrophobicContact CG1-CD2 4.33Å; I109-F121 HydrophobicContact CG1-CE1 3.88Å; I109-F121 HydrophobicContact CG1-CE2 4.47Å; I109-F121 HydrophobicContact CG1-CG 4.04Å; I109-F121 HydrophobicContact CG1-CZ 4.25Å; I109-F121 HydrophobicContact CG2-CD1 4.48Å; I109-F121 HydrophobicContact CG2-CD2 3.72Å; I109-F121 HydrophobicContact CG2-CE1 4.14Å; I109-F121 HydrophobicContact CG2-CE2 3.39Å; I109-F121 HydrophobicContact CG2-CG 4.29Å; I109-F121 HydrophobicContact CG2-CZ 3.62Å; D117-F121 WeakPolarHBondContact O-CD2 3.44Å; D117-F121 PolarHBondContact O-N 2.69Å; D117-F121 VanDerWaalsContact O-N 3.13Å; I118-F121 PolarHBondContact O-N 3.41Å; F121-N123 PolarHBondContact O-N 3.18Å; F121-S124 PolarHBondContact O-N 2.8Å
122	E	89.8	Confident	87.6	Confident	66 Å²	66	46.9 Å²	46.9	31%	0.308	25%	0.253	S	S	.	.	H	α-helix	trans	-60.9	-35.3	172.7	-75	-178.4	149.6	0	0	112.6	L3 I118 V131 R133	L3-E122 HydrophobicContact CD1-CG 4.04Å; I118-E122 HydrophobicContact CG2-CG 4.39Å; I118-E122 WeakPolarHBondContact O-CG 3.44Å; I118-E122 PolarHBondContact O-N 3.32Å; E122-V131 HydrophobicContact CG-CG1 3.94Å; E122-R133 IonicContact OE1-CZ 3.21Å; E122-R133 IonicContact OE1-NE 3.91Å; E122-R133 PolarHBondContact OE1-NE 3.32Å; E122-R133 IonicContact OE1-NH2 3.8Å; E122-R133 PolarHBondContact OE1-NH2 2.97Å; E122-R133 IonicContact OE2-CZ 2.75Å; E122-R133 IonicContact OE2-NE 3.6Å; E122-R133 IonicContact OE2-NH2 2.84Å; E122-R133 PolarHBondContact OE2-NH2 3.21Å
123	N	89.7	Confident	87.4	Confident	128 Å²	128	47.9 Å²	47.9	68%	0.684	26%	0.256	S	S	*	.	H	α-helix	trans	-87.6	-7.5	178.7	-67.4	-35.5	0	0	0	113.9	T119 F120 F121	T119-N123 WeakPolarHBondContact O-CB 3.29Å; T119-N123 VanDerWaalsContact O-CG 3.31Å; T119-N123 PolarHBondContact O-N 3.49Å; T119-N123 PolarHBondContact O-ND2 3.47Å; F120-N123 PolarHBondContact O-N 3.39Å; F121-N123 PolarHBondContact O-N 3.18Å
124	S	85.3	Confident	87.5	Confident	51 Å²	51	45.2 Å²	45.2	36%	0.357	25%	0.246	S	C	.	.	H	α-helix	trans	-88.7	-14.6	-172.3	-69	0	0	0	0	114.4	F120 F121	F120-S124 WeakPolarHBondContact CE1-OG 3.41Å; F120-S124 WeakPolarHBondContact CZ-OG 3.43Å; F120-S124 WeakPolarHBondContact O-CB 3.41Å; F120-S124 PolarHBondContact O-N 3.06Å; F120-S124 VanDerWaalsContact O-N 3.08Å; F120-S124 PolarHBondContact O-OG 2.94Å; F121-S124 PolarHBondContact O-N 2.8Å
125	F	77.1	Confident	87.5	Confident	53 Å²	53	45.3 Å²	45.3	23%	0.232	25%	0.247	C	C	.	.	S	Bend	trans	-120.2	153.5	-173.7	-73.6	-97	0	0	0	111.6	M1 I91 W107	M1-F125 HydrophobicContact CE-CD1 4.4Å; M1-F125 HydrophobicContact CE-CD2 3.34Å; M1-F125 HydrophobicContact CE-CE1 4.06Å; M1-F125 HydrophobicContact CE-CE2 2.96Å; M1-F125 HydrophobicContact CE-CG 4.09Å; M1-F125 HydrophobicContact CE-CZ 3.34Å; M1-F125 HydrophobicContact SD-CD2 3.78Å; M1-F125 HydrophobicContact SD-CE2 3.96Å; I91-F125 HydrophobicContact CD1-CE2 4.38Å; W107-F125 AromaticContact CD1-CE1 3.76Å; W107-F125 HydrophobicContact CD2-CE1 4.47Å; W107-F125 HydrophobicContact CD2-CZ 4.37Å; W107-F125 AromaticContact CE2-CE1 3.98Å; W107-F125 HydrophobicContact CG-CE1 4.33Å; W107-F125 HydrophobicContact CG-CZ 4.33Å; W107-F125 AromaticContact NE1-CE1 3.54Å
126	D	72.8	Confident	87.6	Confident	91 Å²	91	42.7 Å²	42.7	49%	0.487	24%	0.235	S	C	.	.			trans	-54.2	142.6	177.8	-177.7	3.1	0	0	0	110.6	K128 S129	D126-K128 PolarHBondContact O-N 2.97Å; D126-K128 PolarHBondContact OD1-N 3.24Å; D126-S129 WeakPolarHBondContact O-CA 3.33Å; D126-S129 WeakPolarHBondContact O-CB 3.43Å; D126-S129 PolarHBondContact O-N 2.95Å; D126-S129 PolarHBondContact O-OG 2.98Å; D126-S129 VanDerWaalsContact O-OG 3.07Å
127	S	64.8	Low	87.7	Confident	102 Å²	102	44.7 Å²	44.7	71%	0.713	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-43.2	-27.9	168.6	62.8	0	0	0	0	114.8	S129 R198	S127-S129 VanDerWaalsContact C-N 3.29Å; S127-S129 PolarHBondContact O-N 3.36Å; S127-R198 PolarHBondContact O-NH2 2.93Å
128	K	68.1	Low	87.8	Confident	134 Å²	134	45.4 Å²	45.4	58%	0.583	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-18.4	175.1	-62.7	-177.8	-175.5	172.6	0	113.9	D126 R198 P202	D126-K128 PolarHBondContact O-N 2.97Å; D126-K128 PolarHBondContact OD1-N 3.24Å; K128-R198 PolarHBondContact O-NH1 2.73Å; K128-R198 VanDerWaalsContact O-NH1 3.13Å; K128-R198 PolarHBondContact O-NH2 3.48Å; K128-P202 HydrophobicContact CG-CB 4.41Å
129	S	78.3	Confident	87.9	Confident	41 Å²	41	48.7 Å²	48.7	29%	0.287	27%	0.266	S	S	.	.	S	Bend	trans	-72.7	138.7	-179.1	-56.4	0	0	0	0	110.7	D126 S127 V131 R198	D126-S129 WeakPolarHBondContact O-CA 3.33Å; D126-S129 WeakPolarHBondContact O-CB 3.43Å; D126-S129 PolarHBondContact O-N 2.95Å; D126-S129 PolarHBondContact O-OG 2.98Å; D126-S129 VanDerWaalsContact O-OG 3.07Å; S127-S129 VanDerWaalsContact C-N 3.29Å; S127-S129 PolarHBondContact O-N 3.36Å; S129-V131 PolarHBondContact O-N 3.32Å; S129-R198 PolarHBondContact O-NH1 2.94Å
130	L	84.2	Confident	88.1	Confident	17 Å²	17	49.9 Å²	49.9	9%	0.089	27%	0.267	C	S	.	.			trans	-75.9	120.1	167	170	54.6	0	0	0	108.9	M1 M132 I191 F206	M1-L130 PolarHBondContact N-O 3.44Å; L130-M132 HydrophobicContact CD1-CG 3.76Å; L130-M132 HydrophobicContact CD2-CG 4.44Å; L130-M132 HydrophobicContact CG-CG 4.09Å; L130-I191 HydrophobicContact CD2-CG2 4.3Å; L130-F206 HydrophobicContact CD1-CB 4.01Å; L130-F206 HydrophobicContact CD1-CD1 3.12Å; L130-F206 HydrophobicContact CD1-CD2 3.42Å; L130-F206 VanDerWaalsContact CD1-CD2 3.42Å; L130-F206 HydrophobicContact CD1-CE1 3.27Å; L130-F206 HydrophobicContact CD1-CE2 3.47Å; L130-F206 VanDerWaalsContact CD1-CE2 3.47Å; L130-F206 HydrophobicContact CD1-CG 3.21Å; L130-F206 HydrophobicContact CD1-CZ 3.39Å; L130-F206 HydrophobicContact CD2-CD2 4.12Å; L130-F206 HydrophobicContact CD2-CE1 4.45Å; L130-F206 HydrophobicContact CD2-CE2 3.55Å; L130-F206 HydrophobicContact CD2-CZ 3.75Å; L130-F206 HydrophobicContact CG-CD2 4.38Å; L130-F206 HydrophobicContact CG-CE1 4.42Å; L130-F206 HydrophobicContact CG-CE2 4.17Å; L130-F206 HydrophobicContact CG-CZ 4.19Å
131	V	88.4	Confident	88.2	Confident	36 Å²	36	52.4 Å²	52.4	22%	0.218	29%	0.285	C	S	.	.			trans	-114.4	127.3	170	-171.2	0	0	0	0	108.8	M1 L3 E122 S129	M1-V131 HydrophobicContact CB-CG2 4.38Å; M1-V131 HydrophobicContact CG-CG1 4.33Å; M1-V131 WeakPolarHBondContact O-CA 3.04Å; L3-V131 HydrophobicContact CD1-CG1 3.86Å; L3-V131 HydrophobicContact CG-CG1 4.09Å; E122-V131 HydrophobicContact CG-CG1 3.94Å; S129-V131 PolarHBondContact O-N 3.32Å
132	M	91.9	Very high	88.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.5	177	-65	-158.4	-51	0	0	111.7	M1 L2 L3 L130 L134 N170 L187 I191 F206 F208	M1-M132 PolarHBondContact O-N 3.13Å; L2-M132 CarbonylContact C-O 3.25Å; L2-M132 WeakPolarHBondContact CA-O 3.45Å; L2-M132 HydrophobicContact CD2-CB 4.15Å; L2-M132 HydrophobicContact CD2-CE 3.34Å; L3-M132 PolarHBondContact N-O 2.66Å; L130-M132 HydrophobicContact CD1-CG 3.76Å; L130-M132 HydrophobicContact CD2-CG 4.44Å; L130-M132 HydrophobicContact CG-CG 4.09Å; M132-L134 HydrophobicContact CB-CD2 4.45Å; M132-L134 HydrophobicContact CE-CD2 4.18Å; M132-N170 WeakPolarHBondContact CA-OD1 3.23Å; M132-N170 HydrophobicContact CB-CB 4.32Å; M132-L187 HydrophobicContact CE-CD1 3.97Å; M132-I191 HydrophobicContact CE-CD1 3.37Å; M132-I191 HydrophobicContact CE-CG1 3.24Å; M132-I191 HydrophobicContact SD-CG1 4.25Å; M132-F206 HydrophobicContact CG-CD1 4.42Å; M132-F206 HydrophobicContact CG-CE1 3.53Å; M132-F206 HydrophobicContact CG-CZ 3.91Å; M132-F206 HydrophobicContact SD-CE1 3.43Å; M132-F206 WeakPolarHBondContact SD-CE1 3.26Å; M132-F206 HydrophobicContact SD-CZ 3.32Å; M132-F206 WeakPolarHBondContact SD-CZ 3.37Å; M132-F208 HydrophobicContact SD-CZ 4.09Å
133	R	94.1	Very high	88.8	Confident	24 Å²	24	51.3 Å²	51.3	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	121.5	170.7	-58.1	175.1	-175.9	-162.2	-6.5	109.5	L3 I118 E122 E166 K168 W169 N170 C171	L3-R133 HydrophobicContact CD1-CG 4.32Å; I118-R133 HydrophobicContact CG2-CG 4.29Å; I118-R133 VanDerWaalsContact CG2-CZ 3.46Å; E122-R133 IonicContact OE1-CZ 3.21Å; E122-R133 IonicContact OE1-NE 3.91Å; E122-R133 PolarHBondContact OE1-NE 3.32Å; E122-R133 IonicContact OE1-NH2 3.8Å; E122-R133 PolarHBondContact OE1-NH2 2.97Å; E122-R133 IonicContact OE2-CZ 2.75Å; E122-R133 IonicContact OE2-NE 3.6Å; E122-R133 IonicContact OE2-NH2 2.84Å; E122-R133 PolarHBondContact OE2-NH2 3.21Å; R133-E166 IonicContact CZ-OE2 3.97Å; R133-E166 IonicContact NH1-OE1 3.39Å; R133-E166 PolarHBondContact NH1-OE1 2.99Å; R133-E166 IonicContact NH1-OE2 2.72Å; R133-E166 PolarHBondContact NH1-OE2 2.82Å; R133-K168 WeakPolarHBondContact CD-O 3.45Å; R133-W169 HydrophobicContact CB-CE3 3.61Å; R133-W169 HydrophobicContact CB-CZ3 3.89Å; R133-N170 PolarHBondContact N-OD1 3.08Å; R133-N170 PolarHBondContact O-N 3.03Å; R133-C171 PolarHBondContact O-N 3.22Å
134	L	96	Very high	89.2	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.7	-179.9	-57.1	-177.2	0	0	0	110	L2 L3 L4 A5 L19 M132 C171 L187	L2-L134 HydrophobicContact CB-CD1 3.97Å; L2-L134 HydrophobicContact CD1-CD1 4.22Å; L2-L134 HydrophobicContact CD2-CD1 4.41Å; L2-L134 HydrophobicContact CG-CD1 4.44Å; L3-L134 PolarHBondContact O-N 2.92Å; L4-L134 HydrophobicContact CD1-CB 3.64Å; L4-L134 HydrophobicContact CD1-CD1 4.27Å; A5-L134 PolarHBondContact N-O 2.98Å; L19-L134 HydrophobicContact CD1-CD1 3.87Å; M132-L134 HydrophobicContact CB-CD2 4.45Å; M132-L134 HydrophobicContact CE-CD2 4.18Å; L134-C171 WeakPolarHBondContact CA-O 3.41Å; L134-C171 HydrophobicContact CD2-CB 3.61Å; L134-L187 HydrophobicContact CD1-CD2 4.06Å; L134-L187 HydrophobicContact CD2-CD1 4.49Å; L134-L187 HydrophobicContact CD2-CD2 3.88Å
135	R	96.6	Very high	89.7	Confident	13 Å²	13	57.9 Å²	57.9	5%	0.049	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.7	173	-175	67.2	170.7	-167.1	-9.3	109.9	A5 E137 D164 W169 C171 I172 L173	A5-R135 WeakPolarHBondContact O-CA 3.45Å; R135-E137 HydrophobicContact CG-CG 3.73Å; R135-D164 IonicContact CZ-OD1 3.67Å; R135-D164 IonicContact NH2-OD1 3.79Å; R135-D164 PolarHBondContact NH2-OD1 2.93Å; R135-W169 HydrophobicContact CB-CD2 3.57Å; R135-W169 HydrophobicContact CB-CE3 3.76Å; R135-W169 HydrophobicContact CB-CG 3.9Å; R135-W169 HydrophobicContact CB-CZ2 4.37Å; R135-W169 HydrophobicContact CB-CZ3 4.27Å; R135-W169 HydrophobicContact CG-CD2 4.41Å; R135-C171 PolarHBondContact N-O 3.3Å; R135-I172 HydrophobicContact CB-CG1 4.29Å; R135-I172 HydrophobicContact CB-CG2 4.5Å; R135-I172 CarbonylContact O-C 3.58Å; R135-I172 WeakPolarHBondContact O-CA 3.39Å; R135-L173 PolarHBondContact O-N 2.99Å
136	V	97.3	Very high	90.6	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	117.3	171.4	-175.6	0	0	0	0	109.4	L4 A5 G6 S10 K12 V15 N175	L4-V136 HydrophobicContact CD1-CG2 3.55Å; L4-V136 HydrophobicContact CG-CG2 4.18Å; A5-V136 PolarHBondContact O-N 2.89Å; G6-V136 WeakPolarHBondContact CA-O 3.45Å; S10-V136 WeakPolarHBondContact CB-O 3.37Å; S10-V136 PolarHBondContact OG-O 3.05Å; K12-V136 HydrophobicContact CB-CB 4.45Å; K12-V136 HydrophobicContact CG-CG2 4.45Å; V15-V136 HydrophobicContact CB-CG1 4.31Å; V15-V136 HydrophobicContact CB-CG2 3.91Å; V15-V136 HydrophobicContact CG1-CG2 3.61Å; V15-V136 HydrophobicContact CG2-CG1 3.79Å; V15-V136 HydrophobicContact CG2-CG2 4.21Å; V136-N175 HydrophobicContact CG1-CB 4.05Å
137	E	96.9	Very high	91.6	Very high	74 Å²	74	57.2 Å²	57.2	35%	0.346	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	149.7	178.7	-60.4	-164	154.6	0	0	111.1	R135 I172 L173 H174 N175	R135-E137 HydrophobicContact CG-CG 3.73Å; E137-I172 HydrophobicContact CB-CG2 4.32Å; E137-I172 HydrophobicContact CG-CG2 3.76Å; E137-L173 PolarHBondContact N-O 2.81Å; E137-H174 IonicContact OE2-CE1 3.99Å; E137-N175 PolarHBondContact O-N 2.88Å
138	A	97.4	Very high	93	Very high	14 Å²	14	53.2 Å²	53.2	12%	0.116	27%	0.268	C	S	.	.			trans	-143.3	138.1	166	0	0	0	0	0	107.7	V142 R143 N175 N176	A138-V142 HydrophobicContact CB-CG1 4.27Å; A138-R143 HydrophobicContact CB-CG 3.85Å; A138-R143 WeakPolarHBondContact O-CD 3.25Å; A138-N175 WeakPolarHBondContact CB-O 3.46Å; A138-N176 VanDerWaalsContact CA-OD1 3.24Å; A138-N176 WeakPolarHBondContact CA-OD1 3.45Å
139	V	96.8	Very high	94.2	Very high	71 Å²	71	53.3 Å²	53.3	43%	0.43	27%	0.274	S	S	.	.			trans	-59.8	152.4	175.7	-62.9	0	0	0	0	110.1	T141 V142 R143 N176	V139-T141 VanDerWaalsContact C-N 3.26Å; V139-T141 WeakPolarHBondContact CG2-OG1 3.44Å; V139-T141 PolarHBondContact O-N 2.79Å; V139-V142 HydrophobicContact CG2-CB 3.93Å; V139-V142 HydrophobicContact CG2-CG2 3.54Å; V139-V142 PolarHBondContact O-N 3.15Å; V139-V142 VanDerWaalsContact O-N 3.09Å; V139-R143 PolarHBondContact O-N 3.49Å; V139-N176 PolarHBondContact N-OD1 3.05Å
140	E	96.5	Very high	94.9	Very high	94 Å²	94	56.2 Å²	56.2	44%	0.439	28%	0.281	S	S	.	.	H	α-helix	trans	-58.5	-38.8	-173	-167.3	-177.5	143.1	0	0	112.8	V142 R143 R144 W148	E140-V142 VanDerWaalsContact C-N 3.33Å; E140-V142 PolarHBondContact O-N 3.32Å; E140-R143 PolarHBondContact O-N 3.22Å; E140-R144 HydrophobicContact CG-CG 4.39Å; E140-R144 WeakPolarHBondContact O-CB 3.4Å; E140-R144 WeakPolarHBondContact O-CG 3.38Å; E140-R144 PolarHBondContact O-N 3.42Å; E140-R144 IonicContact OE1-CZ 2.68Å; E140-R144 IonicContact OE1-NE 3.16Å; E140-R144 PolarHBondContact OE1-NE 3.39Å; E140-R144 IonicContact OE1-NH2 3.27Å; E140-R144 PolarHBondContact OE1-NH2 2.94Å; E140-W148 HydrophobicContact CG-CE3 4.09Å; E140-W148 HydrophobicContact CG-CH2 4.43Å; E140-W148 HydrophobicContact CG-CZ3 3.57Å
141	T	97.6	Very high	95.2	Very high	91 Å²	91	58 Å²	58	56%	0.558	29%	0.293	S	S	*	.	H	α-helix	trans	-58.4	-43.9	177.1	50.5	0	0	0	0	111.9	V139 R144 Q145	V139-T141 VanDerWaalsContact C-N 3.26Å; V139-T141 WeakPolarHBondContact CG2-OG1 3.44Å; V139-T141 PolarHBondContact O-N 2.79Å; T141-R144 PolarHBondContact O-N 2.99Å; T141-Q145 WeakPolarHBondContact O-CG 3.44Å; T141-Q145 PolarHBondContact O-N 2.81Å
142	V	97.8	Very high	95.3	Very high	15 Å²	15	60.8 Å²	60.8	9%	0.091	31%	0.311	C	S	.	.	H	α-helix	trans	-67.7	-40.7	176.1	172.2	0	0	0	0	111.1	A138 V139 E140 R144 Q145 R146 N176	A138-V142 HydrophobicContact CB-CG1 4.27Å; V139-V142 HydrophobicContact CG2-CB 3.93Å; V139-V142 HydrophobicContact CG2-CG2 3.54Å; V139-V142 PolarHBondContact O-N 3.15Å; V139-V142 VanDerWaalsContact O-N 3.09Å; E140-V142 VanDerWaalsContact C-N 3.33Å; E140-V142 PolarHBondContact O-N 3.32Å; V142-R144 VanDerWaalsContact C-N 3.34Å; V142-R144 PolarHBondContact O-N 3.07Å; V142-Q145 WeakPolarHBondContact O-CB 3.18Å; V142-Q145 PolarHBondContact O-N 3.31Å; V142-R146 WeakPolarHBondContact O-CG 3.28Å; V142-R146 PolarHBondContact O-N 2.87Å; V142-R146 VanDerWaalsContact O-N 3.13Å; V142-N176 HydrophobicContact CG2-CB 4.32Å
143	R	97.3	Very high	95.1	Very high	27 Å²	27	63 Å²	63	10%	0.102	33%	0.334	C	S	.	.	H	α-helix	trans	-61.1	-44.1	174.4	-66.7	173.6	66.1	-157.7	1.5	110.8	R8 K9 A138 V139 E140 R146 G147 W148	R8-R143 PolarHBondContact O-NE 2.88Å; R8-R143 PolarHBondContact O-NH2 2.87Å; K9-R143 HydrophobicContact CB-CB 4.35Å; A138-R143 HydrophobicContact CB-CG 3.85Å; A138-R143 WeakPolarHBondContact O-CD 3.25Å; V139-R143 PolarHBondContact O-N 3.49Å; E140-R143 PolarHBondContact O-N 3.22Å; R143-R146 CarbonylContact O-C 3.56Å; R143-R146 WeakPolarHBondContact O-CA 3.47Å; R143-R146 WeakPolarHBondContact O-CB 3.47Å; R143-R146 PolarHBondContact O-N 3.25Å; R143-G147 PolarHBondContact O-N 3.22Å; R143-W148 HydrophobicContact CB-CB 3.79Å; R143-W148 HydrophobicContact CB-CD2 4.36Å; R143-W148 HydrophobicContact CB-CE3 4.45Å; R143-W148 HydrophobicContact CB-CG 4.11Å; R143-W148 VanDerWaalsContact NH2-CE2 3.3Å; R143-W148 WeakPolarHBondContact O-CB 3.46Å; R143-W148 PolarHBondContact O-N 3.28Å
144	R	97.5	Very high	94.7	Very high	155 Å²	155	63.6 Å²	63.6	59%	0.585	34%	0.339	S	S	*	.	H	α-helix	trans	-61.1	-42.7	176.6	-73.1	177.7	179.8	-140.2	4.1	111.8	E140 T141 V142 R146 G147 W148	E140-R144 HydrophobicContact CG-CG 4.39Å; E140-R144 WeakPolarHBondContact O-CB 3.4Å; E140-R144 WeakPolarHBondContact O-CG 3.38Å; E140-R144 PolarHBondContact O-N 3.42Å; E140-R144 IonicContact OE1-CZ 2.68Å; E140-R144 IonicContact OE1-NE 3.16Å; E140-R144 PolarHBondContact OE1-NE 3.39Å; E140-R144 IonicContact OE1-NH2 3.27Å; E140-R144 PolarHBondContact OE1-NH2 2.94Å; T141-R144 PolarHBondContact O-N 2.99Å; V142-R144 VanDerWaalsContact C-N 3.34Å; V142-R144 PolarHBondContact O-N 3.07Å; R144-R146 PolarHBondContact O-N 2.72Å; R144-G147 WeakPolarHBondContact O-CA 3.32Å; R144-G147 PolarHBondContact O-N 2.7Å; R144-W148 WeakPolarHBondContact CA-O 3.12Å; R144-W148 HydrophobicContact CG-CE3 4.03Å
145	Q	97	Very high	94.5	Very high	162 Å²	162	64.1 Å²	64.1	76%	0.757	34%	0.342	S	S	*	.	H	α-helix	trans	-58.9	-29.7	172.8	-72.5	169.7	-4.4	0	0	112.6	T141 V142 G147	T141-Q145 WeakPolarHBondContact O-CG 3.44Å; T141-Q145 PolarHBondContact O-N 2.81Å; V142-Q145 WeakPolarHBondContact O-CB 3.18Å; V142-Q145 PolarHBondContact O-N 3.31Å; Q145-G147 PolarHBondContact O-N 3.18Å
146	R	95	Very high	94.2	Very high	80 Å²	80	67.4 Å²	67.4	30%	0.302	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	13.5	173.9	-62.1	165.3	-179.4	170.4	1.7	113.6	K9 S10 V142 R143 R144 N175	K9-R146 HydrophobicContact CB-CB 4.47Å; K9-R146 WeakPolarHBondContact CD-O 3.41Å; K9-R146 WeakPolarHBondContact CE-O 3.35Å; K9-R146 PolarHBondContact NZ-O 2.69Å; K9-R146 WeakPolarHBondContact O-CD 3.47Å; K9-R146 PolarHBondContact O-NH1 2.68Å; S10-R146 PolarHBondContact O-NH1 3.16Å; V142-R146 WeakPolarHBondContact O-CG 3.28Å; V142-R146 PolarHBondContact O-N 2.87Å; V142-R146 VanDerWaalsContact O-N 3.13Å; R143-R146 CarbonylContact O-C 3.56Å; R143-R146 WeakPolarHBondContact O-CA 3.47Å; R143-R146 WeakPolarHBondContact O-CB 3.47Å; R143-R146 PolarHBondContact O-N 3.25Å; R144-R146 PolarHBondContact O-N 2.72Å; R146-N175 VanDerWaalsContact CZ-O 3.31Å; R146-N175 PolarHBondContact NH1-ND2 3.02Å; R146-N175 PolarHBondContact NH1-O 3.48Å; R146-N175 VanDerWaalsContact NH1-O 3.1Å; R146-N175 PolarHBondContact NH2-O 3.34Å; R146-N175 PolarHBondContact NH2-OD1 2.85Å
147	G	93.4	Very high	93.9	Very high	50 Å²	50	73.8 Å²	73.8	52%	0.515	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	27.6	-179	0	0	0	0	0	113.8	R143 R144 Q145	R143-G147 PolarHBondContact O-N 3.22Å; R144-G147 WeakPolarHBondContact O-CA 3.32Å; R144-G147 PolarHBondContact O-N 2.7Å; Q145-G147 PolarHBondContact O-N 3.18Å
148	W	94	Very high	93.5	Very high	19 Å²	19	74.6 Å²	74.6	7%	0.072	39%	0.388	C	S	.	.			trans	-78.6	124.9	168.2	-171.1	75.3	0	0	0	110.3	R8 K9 E140 R143 R144 F150 D155	R8-W148 VanDerWaalsContact NH2-CD1 3.32Å; K9-W148 HydrophobicContact CB-CB 3.81Å; K9-W148 HydrophobicContact CB-CG 4.24Å; K9-W148 HydrophobicContact CG-CB 3.73Å; K9-W148 HydrophobicContact CG-CG 4.19Å; E140-W148 HydrophobicContact CG-CE3 4.09Å; E140-W148 HydrophobicContact CG-CH2 4.43Å; E140-W148 HydrophobicContact CG-CZ3 3.57Å; R143-W148 HydrophobicContact CB-CB 3.79Å; R143-W148 HydrophobicContact CB-CD2 4.36Å; R143-W148 HydrophobicContact CB-CE3 4.45Å; R143-W148 HydrophobicContact CB-CG 4.11Å; R143-W148 VanDerWaalsContact NH2-CE2 3.3Å; R143-W148 WeakPolarHBondContact O-CB 3.46Å; R143-W148 PolarHBondContact O-N 3.28Å; R144-W148 WeakPolarHBondContact CA-O 3.12Å; R144-W148 HydrophobicContact CG-CE3 4.03Å; W148-F150 HydrophobicContact CH2-CB 3.91Å; W148-F150 HydrophobicContact CH2-CD2 4.26Å; W148-F150 HydrophobicContact CZ2-CB 4.06Å; W148-F150 HydrophobicContact CZ2-CD2 4.05Å; W148-D155 HydrophobicContact CZ2-CB 4.44Å; W148-D155 PolarHBondContact NE1-OD1 3.35Å
149	I	93.3	Very high	93.1	Very high	135 Å²	135	74.5 Å²	74.5	69%	0.692	39%	0.386	S	S	*	.			trans	-128.6	132.8	164.8	-60.6	172.4	0	0	0	104.8	R8 V151	R8-I149 PolarHBondContact NH2-O 3.49Å; I149-V151 WeakPolarHBondContact O-CG2 3.31Å; I149-V151 PolarHBondContact O-N 2.92Å
150	F	94.3	Very high	92.8	Very high	103 Å²	103	71.5 Å²	71.5	45%	0.452	37%	0.367	S	S	.	.			trans	-56.3	128.4	177.6	-179.4	-96.2	0	0	0	110.8	W148 P152 D155 D156	W148-F150 HydrophobicContact CH2-CB 3.91Å; W148-F150 HydrophobicContact CH2-CD2 4.26Å; W148-F150 HydrophobicContact CZ2-CB 4.06Å; W148-F150 HydrophobicContact CZ2-CD2 4.05Å; F150-P152 HydrophobicContact CD1-CG 4.16Å; F150-P152 HydrophobicContact CE1-CB 4.23Å; F150-P152 HydrophobicContact CE1-CG 3.8Å; F150-D155 HydrophobicContact CD2-CB 3.65Å; F150-D155 HydrophobicContact CE2-CB 3.69Å; F150-D156 HydrophobicContact CE2-CB 4.37Å; F150-D156 HydrophobicContact CZ-CB 4Å
151	V	90	Very high	92.6	Very high	54 Å²	54	69.1 Å²	69.1	33%	0.327	36%	0.36	S	S	.	.			trans	-117.6	109.5	175.3	-176.1	0	0	0	0	108.4	I149 I154 D155	I149-V151 WeakPolarHBondContact O-CG2 3.31Å; I149-V151 PolarHBondContact O-N 2.92Å; V151-I154 HydrophobicContact CB-CB 4.17Å; V151-I154 HydrophobicContact CB-CD1 4.2Å; V151-I154 HydrophobicContact CB-CG1 4.38Å; V151-I154 HydrophobicContact CG1-CB 4.27Å; V151-I154 HydrophobicContact CG1-CD1 3.72Å; V151-I154 HydrophobicContact CG1-CG1 3.95Å; V151-I154 PolarHBondContact O-N 3.15Å; V151-D155 PolarHBondContact N-OD2 3.32Å; V151-D155 PolarHBondContact O-N 3.42Å
152	P	90.3	Very high	92.5	Very high	94 Å²	94	67 Å²	67	61%	0.61	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	139.4	171.3	-19.2	28.4	0	0	0	110.8	F150 I154	F150-P152 HydrophobicContact CD1-CG 4.16Å; F150-P152 HydrophobicContact CE1-CB 4.23Å; F150-P152 HydrophobicContact CE1-CG 3.8Å; P152-I154 VanDerWaalsContact C-N 3.26Å; P152-I154 PolarHBondContact O-N 3.39Å
153	G	87.4	Confident	92.4	Very high	46 Å²	46	66.4 Å²	66.4	47%	0.474	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	-0.7	-174.3	0	0	0	0	0	114.9	D156 R157	G153-D156 WeakPolarHBondContact CA-OD1 3.4Å; G153-D156 PolarHBondContact N-OD1 3.38Å; G153-D156 PolarHBondContact N-OD2 2.76Å; G153-R157 VanDerWaalsContact C-CG 3.47Å; G153-R157 WeakPolarHBondContact O-CG 3.47Å
154	I	86.5	Confident	92.2	Very high	38 Å²	38	68.5 Å²	68.5	20%	0.195	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-59.8	171.2	-59.5	-178.5	0	0	0	110.4	V151 P152 D156 R157 E160	V151-I154 HydrophobicContact CB-CB 4.17Å; V151-I154 HydrophobicContact CB-CD1 4.2Å; V151-I154 HydrophobicContact CB-CG1 4.38Å; V151-I154 HydrophobicContact CG1-CB 4.27Å; V151-I154 HydrophobicContact CG1-CD1 3.72Å; V151-I154 HydrophobicContact CG1-CG1 3.95Å; V151-I154 PolarHBondContact O-N 3.15Å; P152-I154 VanDerWaalsContact C-N 3.26Å; P152-I154 PolarHBondContact O-N 3.39Å; I154-D156 VanDerWaalsContact C-N 3.27Å; I154-D156 PolarHBondContact N-OD1 3.27Å; I154-D156 PolarHBondContact O-N 3.08Å; I154-R157 PolarHBondContact O-N 3.46Å; I154-E160 WeakPolarHBondContact O-CG 3.29Å
155	D	91	Very high	91.8	Very high	11 Å²	11	66.5 Å²	66.5	6%	0.059	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-8.6	-173	-64.5	-76.5	0	0	0	113.3	R8 W148 F150 V151	R8-D155 IonicContact CZ-OD1 3.18Å; R8-D155 IonicContact CZ-OD2 3.29Å; R8-D155 IonicContact NE-OD1 3.49Å; R8-D155 PolarHBondContact NE-OD1 3.12Å; R8-D155 IonicContact NE-OD2 2.62Å; R8-D155 IonicContact NH2-OD1 3.63Å; R8-D155 PolarHBondContact NH2-OD1 2.98Å; R8-D155 IonicContact NH2-OD2 3.75Å; R8-D155 PolarHBondContact NH2-OD2 3.46Å; W148-D155 HydrophobicContact CZ2-CB 4.44Å; W148-D155 PolarHBondContact NE1-OD1 3.35Å; F150-D155 HydrophobicContact CD2-CB 3.65Å; F150-D155 HydrophobicContact CE2-CB 3.69Å; V151-D155 PolarHBondContact N-OD2 3.32Å; V151-D155 PolarHBondContact O-N 3.42Å
156	D	91.8	Very high	91.3	Very high	82 Å²	82	59.9 Å²	59.9	44%	0.439	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	7.6	176.8	58.6	0.6	0	0	0	113.2	F150 G153 I154	F150-D156 HydrophobicContact CE2-CB 4.37Å; F150-D156 HydrophobicContact CZ-CB 4Å; G153-D156 WeakPolarHBondContact CA-OD1 3.4Å; G153-D156 PolarHBondContact N-OD1 3.38Å; G153-D156 PolarHBondContact N-OD2 2.76Å; I154-D156 VanDerWaalsContact C-N 3.27Å; I154-D156 PolarHBondContact N-OD1 3.27Å; I154-D156 PolarHBondContact O-N 3.08Å
157	R	89.9	Confident	90.8	Very high	134 Å²	134	63 Å²	63	51%	0.506	35%	0.347	S	S	.	.	S	Bend	trans	-91.8	160.5	178.1	-64.1	-68.4	-69.1	-171.4	-2.4	111.3	G153 I154 T159 E160 C161	G153-R157 VanDerWaalsContact C-CG 3.47Å; G153-R157 WeakPolarHBondContact O-CG 3.47Å; I154-R157 PolarHBondContact O-N 3.46Å; R157-T159 PolarHBondContact O-N 2.63Å; R157-E160 PolarHBondContact O-N 3.44Å; R157-C161 PolarHBondContact O-N 2.93Å
158	E	88.4	Confident	90.5	Very high	92 Å²	92	67.7 Å²	67.7	43%	0.43	35%	0.353	S	S	.	.	H	α-helix	trans	-44.7	-41.3	172.7	-169.3	-177.4	152.5	0	0	112.6	R114 E160 C161 D162	R114-E158 HydrophobicContact CG-CG 4.41Å; R114-E158 IonicContact NE-OE1 3.7Å; E158-E160 PolarHBondContact O-N 3.18Å; E158-C161 PolarHBondContact O-N 3.4Å; E158-D162 HydrophobicContact CG-CB 3.55Å; E158-D162 VanDerWaalsContact O-CB 3.28Å; E158-D162 WeakPolarHBondContact O-CB 3.3Å; E158-D162 PolarHBondContact O-N 3.04Å
159	T	88.7	Confident	90.5	Very high	11 Å²	11	67.6 Å²	67.6	7%	0.067	35%	0.353	C	S	.	.	H	α-helix	trans	-55.9	-18.5	177.9	61.1	0	0	0	0	115.8	V72 R113 R157	V72-T159 HydrophobicContact CG1-CG2 3.75Å; V72-T159 HydrophobicContact CG2-CG2 4.41Å; R113-T159 WeakPolarHBondContact CD-O 3.31Å; R113-T159 WeakPolarHBondContact CG-O 3.45Å; R113-T159 PolarHBondContact NH1-O 3.18Å; R157-T159 PolarHBondContact O-N 2.63Å
160	E	90.4	Very high	90.5	Very high	8 Å²	8	62.7 Å²	62.7	4%	0.037	33%	0.328	C	S	.	.	H	α-helix	trans	-120.7	-20.4	179	-63.4	-66.6	155.8	0	0	113.1	K7 R8 R68 R113 I154 R157 E158	K7-E160 VanDerWaalsContact CA-OE2 3.29Å; K7-E160 WeakPolarHBondContact CA-OE2 3.31Å; K7-E160 WeakPolarHBondContact CE-O 3.42Å; R8-E160 PolarHBondContact N-OE2 2.96Å; R68-E160 IonicContact NH2-OE1 3.75Å; R113-E160 IonicContact CZ-OE1 2.82Å; R113-E160 IonicContact NH1-OE1 3.66Å; R113-E160 PolarHBondContact NH1-OE1 2.96Å; R113-E160 IonicContact NH1-OE2 2.63Å; R113-E160 IonicContact NH2-OE1 3.86Å; I154-E160 WeakPolarHBondContact O-CG 3.29Å; R157-E160 PolarHBondContact O-N 3.44Å; E158-E160 PolarHBondContact O-N 3.18Å
161	C	93.5	Very high	90.5	Very high	44 Å²	44	57.9 Å²	57.9	30%	0.297	31%	0.307	S	S	.	.	H	α-helix	trans	-116.5	-14.6	-172	-73.2	0	0	0	0	116.1	R157 E158 L163 D164	R157-C161 PolarHBondContact O-N 2.93Å; E158-C161 PolarHBondContact O-N 3.4Å; C161-L163 PolarHBondContact O-N 3.32Å; C161-L163 VanDerWaalsContact O-N 3.09Å; C161-D164 VanDerWaalsContact O-CB 3.29Å; C161-D164 WeakPolarHBondContact O-CB 3.1Å; C161-D164 PolarHBondContact O-N 3.45Å
162	D	94.4	Very high	90.8	Very high	46 Å²	46	57.5 Å²	57.5	25%	0.246	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.4	-172.7	-166	51.1	0	0	0	113.9	R113 R114 H115 E158 D165	R113-D162 WeakPolarHBondContact O-CB 3.49Å; R114-D162 WeakPolarHBondContact CA-OD2 3.31Å; R114-D162 WeakPolarHBondContact CB-OD2 3.19Å; H115-D162 PolarHBondContact CD2-O 2.67Å; H115-D162 IonicContact CD2-OD2 3.69Å; H115-D162 PolarHBondContact N-OD2 3.02Å; H115-D162 PolarHBondContact NE2-O 3.2Å; E158-D162 HydrophobicContact CG-CB 3.55Å; E158-D162 VanDerWaalsContact O-CB 3.28Å; E158-D162 WeakPolarHBondContact O-CB 3.3Å; E158-D162 PolarHBondContact O-N 3.04Å; D162-D165 VanDerWaalsContact O-OD1 3.08Å
163	L	95.9	Very high	91.2	Very high	3 Å²	3	53 Å²	53	2%	0.016	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	15.3	180	-65.5	175.7	0	0	0	112.8	A5 I118 C161 W169	A5-L163 HydrophobicContact CB-CD1 3.79Å; I118-L163 HydrophobicContact CG1-CD1 4.47Å; I118-L163 HydrophobicContact CG1-CD2 4.12Å; C161-L163 PolarHBondContact O-N 3.32Å; C161-L163 VanDerWaalsContact O-N 3.09Å; L163-W169 HydrophobicContact CB-CZ2 4.13Å; L163-W169 HydrophobicContact CD1-CH2 4.23Å
164	D	93	Very high	91.7	Very high	71 Å²	71	52.5 Å²	52.5	38%	0.38	26%	0.259	S	S	.	.	S	Bend	trans	-77	-24.7	178.6	-74.7	-11.2	0	0	0	112.8	K7 R135 C161	K7-D164 VanDerWaalsContact CE-CG 3.47Å; K7-D164 WeakPolarHBondContact CE-OD1 3.28Å; K7-D164 VanDerWaalsContact CE-OD2 3.25Å; K7-D164 WeakPolarHBondContact CE-OD2 3.48Å; K7-D164 VanDerWaalsContact NZ-CG 3.3Å; K7-D164 IonicContact NZ-OD1 2.9Å; K7-D164 PolarHBondContact NZ-OD1 3.45Å; K7-D164 IonicContact NZ-OD2 3.75Å; K7-D164 PolarHBondContact NZ-OD2 2.95Å; R135-D164 IonicContact CZ-OD1 3.67Å; R135-D164 IonicContact NH2-OD1 3.79Å; R135-D164 PolarHBondContact NH2-OD1 2.93Å; C161-D164 VanDerWaalsContact O-CB 3.29Å; C161-D164 WeakPolarHBondContact O-CB 3.1Å; C161-D164 PolarHBondContact O-N 3.45Å
165	D	89.6	Confident	92.2	Very high	113 Å²	113	51 Å²	51	60%	0.604	25%	0.251	S	S	*	.	S	Bend	trans	-88.3	-5.9	175	70.5	-29.3	0	0	0	113	H115 D162 L167	H115-D165 IonicContact CD2-OD1 3.88Å; H115-D165 IonicContact CE1-OD1 3.51Å; H115-D165 IonicContact NE2-OD1 2.69Å; H115-D165 PolarHBondContact NE2-OD1 3.03Å; H115-D165 IonicContact NE2-OD2 3.49Å; D162-D165 VanDerWaalsContact O-OD1 3.08Å; D165-L167 PolarHBondContact O-N 2.97Å
166	E	87.7	Confident	92.5	Very high	23 Å²	23	51.9 Å²	51.9	11%	0.107	26%	0.256	C	S	.	.			trans	-71.8	121	177.9	-179	54.5	-98.1	0	0	110.8	H115 R133 K168 W169	H115-E166 IonicContact CE1-OE2 3.67Å; H115-E166 IonicContact ND1-OE2 3.78Å; R133-E166 IonicContact CZ-OE2 3.97Å; R133-E166 IonicContact NH1-OE1 3.39Å; R133-E166 PolarHBondContact NH1-OE1 2.99Å; R133-E166 IonicContact NH1-OE2 2.72Å; R133-E166 PolarHBondContact NH1-OE2 2.82Å; E166-K168 WeakPolarHBondContact OE1-CA 3.26Å; E166-K168 VanDerWaalsContact OE1-CB 3.24Å; E166-K168 WeakPolarHBondContact OE1-CB 3.46Å; E166-K168 WeakPolarHBondContact OE1-CG 3.29Å; E166-K168 PolarHBondContact OE1-N 3.37Å; E166-W169 HydrophobicContact CB-CZ2 3.98Å; E166-W169 HydrophobicContact CG-CD2 4.46Å; E166-W169 HydrophobicContact CG-CZ2 3.85Å; E166-W169 VanDerWaalsContact O-CD1 3.24Å; E166-W169 PolarHBondContact O-NE1 3.08Å
167	L	82.4	Confident	92.8	Very high	146 Å²	146	52 Å²	52	76%	0.764	26%	0.257	S	S	*	.			trans	-106.7	-12.5	-176.5	-58.5	-179.8	0	0	0	113.2	D165 W169	D165-L167 PolarHBondContact O-N 2.97Å; L167-W169 VanDerWaalsContact C-N 3.26Å; L167-W169 PolarHBondContact O-N 2.97Å
168	K	89	Confident	93.1	Very high	148 Å²	148	50 Å²	50	64%	0.643	26%	0.264	S	S	*	.			trans	-91.9	35.9	-173.2	-57.1	175.2	-178.7	172.8	0	112.6	R133 E166 N170	R133-K168 WeakPolarHBondContact CD-O 3.45Å; E166-K168 WeakPolarHBondContact OE1-CA 3.26Å; E166-K168 VanDerWaalsContact OE1-CB 3.24Å; E166-K168 WeakPolarHBondContact OE1-CB 3.46Å; E166-K168 WeakPolarHBondContact OE1-CG 3.29Å; E166-K168 PolarHBondContact OE1-N 3.37Å; K168-N170 PolarHBondContact O-N 3.18Å
169	W	93.3	Very high	93.5	Very high	18 Å²	18	47.8 Å²	47.8	7%	0.068	26%	0.258	C	S	.	.			trans	-66.4	131.5	171	-61	106	0	0	0	110	A5 R133 R135 L163 E166 L167 C171 I172 Q209	A5-W169 HydrophobicContact CB-CH2 3.35Å; A5-W169 HydrophobicContact CB-CZ2 4.22Å; A5-W169 HydrophobicContact CB-CZ3 3.87Å; R133-W169 HydrophobicContact CB-CE3 3.61Å; R133-W169 HydrophobicContact CB-CZ3 3.89Å; R135-W169 HydrophobicContact CB-CD2 3.57Å; R135-W169 HydrophobicContact CB-CE3 3.76Å; R135-W169 HydrophobicContact CB-CG 3.9Å; R135-W169 HydrophobicContact CB-CZ2 4.37Å; R135-W169 HydrophobicContact CB-CZ3 4.27Å; R135-W169 HydrophobicContact CG-CD2 4.41Å; L163-W169 HydrophobicContact CB-CZ2 4.13Å; L163-W169 HydrophobicContact CD1-CH2 4.23Å; E166-W169 HydrophobicContact CB-CZ2 3.98Å; E166-W169 HydrophobicContact CG-CD2 4.46Å; E166-W169 HydrophobicContact CG-CZ2 3.85Å; E166-W169 VanDerWaalsContact O-CD1 3.24Å; E166-W169 PolarHBondContact O-NE1 3.08Å; L167-W169 VanDerWaalsContact C-N 3.26Å; L167-W169 PolarHBondContact O-N 2.97Å; W169-C171 VanDerWaalsContact C-N 3.34Å; W169-I172 HydrophobicContact CB-CG1 4.06Å; W169-I172 HydrophobicContact CG-CG1 4.48Å; W169-Q209 PolarHBondContact O-NE2 2.86Å
170	N	93.4	Very high	93.9	Very high	32 Å²	32	47.4 Å²	47.4	17%	0.171	26%	0.255	C	S	.	.	S	Bend	trans	-76.1	-28.4	172.3	-62.6	104.7	0	0	0	111.2	M132 R133 K168 Q209 L210	M132-N170 WeakPolarHBondContact CA-OD1 3.23Å; M132-N170 HydrophobicContact CB-CB 4.32Å; R133-N170 PolarHBondContact N-OD1 3.08Å; R133-N170 PolarHBondContact O-N 3.03Å; K168-N170 PolarHBondContact O-N 3.18Å; N170-Q209 CarbonylContact O-C 3.53Å; N170-Q209 VanDerWaalsContact O-CA 3.28Å; N170-Q209 WeakPolarHBondContact O-CA 3.3Å; N170-L210 PolarHBondContact O-N 2.98Å
171	C	94.8	Very high	94.3	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.014	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	135.7	175.7	-174.9	0	0	0	0	109.8	R133 L134 R135 W169 L187 L210 F212	R133-C171 PolarHBondContact O-N 3.22Å; L134-C171 WeakPolarHBondContact CA-O 3.41Å; L134-C171 HydrophobicContact CD2-CB 3.61Å; R135-C171 PolarHBondContact N-O 3.3Å; W169-C171 VanDerWaalsContact C-N 3.34Å; C171-L187 HydrophobicContact CB-CD1 4.32Å; C171-L210 HydrophobicContact CB-CB 4.29Å; C171-F212 VanDerWaalsContact SG-CE2 3.54Å
172	I	95.9	Very high	94.5	Very high	46 Å²	46	55.8 Å²	55.8	24%	0.236	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.9	167.4	-56	179.7	0	0	0	106.9	R135 E137 W169	R135-I172 HydrophobicContact CB-CG1 4.29Å; R135-I172 HydrophobicContact CB-CG2 4.5Å; R135-I172 CarbonylContact O-C 3.58Å; R135-I172 WeakPolarHBondContact O-CA 3.39Å; E137-I172 HydrophobicContact CB-CG2 4.32Å; E137-I172 HydrophobicContact CG-CG2 3.76Å; W169-I172 HydrophobicContact CB-CG1 4.06Å; W169-I172 HydrophobicContact CG-CG1 4.48Å
173	L	97.5	Very high	94.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118.2	179.6	-69	166.9	0	0	0	108.9	V15 R135 E137 N175 I180 Q183 I184 L187 F212	V15-L173 HydrophobicContact CG1-CD1 3.76Å; R135-L173 PolarHBondContact O-N 2.99Å; E137-L173 PolarHBondContact N-O 2.81Å; L173-N175 PolarHBondContact O-N 3.44Å; L173-I180 HydrophobicContact CB-CD1 3.96Å; L173-I180 HydrophobicContact CD2-CD1 4.39Å; L173-Q183 HydrophobicContact CD2-CB 3.9Å; L173-I184 HydrophobicContact CD1-CD1 3.83Å; L173-I184 HydrophobicContact CD2-CD1 4.21Å; L173-L187 HydrophobicContact CD1-CD2 4.07Å; L173-L187 HydrophobicContact CD2-CD2 4.14Å; L173-L187 HydrophobicContact CG-CD2 4.45Å; L173-F212 HydrophobicContact CD2-CD2 4.22Å; L173-F212 HydrophobicContact CD2-CE2 3.84Å
174	H	97.9	Very high	94.8	Very high	34 Å²	34	53.9 Å²	53.9	16%	0.157	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	98.5	-179.1	-61.5	-68.5	0	0	0	110.2	E137 N176 Q183 F212	E137-H174 IonicContact OE2-CE1 3.99Å; H174-N176 VanDerWaalsContact C-N 3.25Å; H174-N176 PolarHBondContact O-N 3.3Å; H174-N176 VanDerWaalsContact O-N 3.16Å; H174-Q183 PolarHBondContact O-NE2 2.86Å; H174-F212 PolarHBondContact CD2-O 3.38Å; H174-F212 PolarHBondContact NE2-O 3.23Å
175	N	98	Very high	95	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.032	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	60	177.3	-174.1	22.1	0	0	0	110.9	S10 G11 V15 V136 E137 A138 R146 L173 I180	S10-N175 WeakPolarHBondContact O-CB 3.41Å; S10-N175 PolarHBondContact O-ND2 3.07Å; G11-N175 WeakPolarHBondContact CA-ND2 3.27Å; V15-N175 HydrophobicContact CG2-CB 4.3Å; V136-N175 HydrophobicContact CG1-CB 4.05Å; E137-N175 PolarHBondContact O-N 2.88Å; A138-N175 WeakPolarHBondContact CB-O 3.46Å; R146-N175 VanDerWaalsContact CZ-O 3.31Å; R146-N175 PolarHBondContact NH1-ND2 3.02Å; R146-N175 PolarHBondContact NH1-O 3.48Å; R146-N175 VanDerWaalsContact NH1-O 3.1Å; R146-N175 PolarHBondContact NH2-O 3.34Å; R146-N175 PolarHBondContact NH2-OD1 2.85Å; L173-N175 PolarHBondContact O-N 3.44Å; N175-I180 HydrophobicContact CB-CD1 4.26Å; N175-I180 HydrophobicContact CB-CG1 4.25Å
176	N	97.8	Very high	95.3	Very high	31 Å²	31	48.1 Å²	48.1	17%	0.166	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-37.4	178.2	-65.7	-33.9	0	0	0	112.2	A138 V139 V142 H174	A138-N176 VanDerWaalsContact CA-OD1 3.24Å; A138-N176 WeakPolarHBondContact CA-OD1 3.45Å; V139-N176 PolarHBondContact N-OD1 3.05Å; V142-N176 HydrophobicContact CG2-CB 4.32Å; H174-N176 VanDerWaalsContact C-N 3.25Å; H174-N176 PolarHBondContact O-N 3.3Å; H174-N176 VanDerWaalsContact O-N 3.16Å
177	D	96.4	Very high	95.7	Very high	85 Å²	85	47 Å²	47	46%	0.455	24%	0.242	S	C	.	.	S	Bend	trans	-152.7	-162.4	-172.9	57.9	31	0	0	0	110.8	S179 I180	D177-S179 PolarHBondContact O-N 3.37Å; D177-S179 WeakPolarHBondContact OD1-CA 3.09Å; D177-S179 WeakPolarHBondContact OD1-CB 3.44Å; D177-S179 PolarHBondContact OD1-N 3.01Å; D177-S179 PolarHBondContact OD1-OG 3.35Å; D177-I180 WeakPolarHBondContact O-CG2 3.46Å; D177-I180 PolarHBondContact O-N 3.21Å
178	S	96.9	Very high	96.3	Very high	92 Å²	92	40 Å²	40	64%	0.643	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-9.6	179.9	57.3	0	0	0	0	114.5	I180 Y181	S178-I180 PolarHBondContact O-N 2.95Å; S178-I180 VanDerWaalsContact O-N 3.16Å; S178-Y181 VanDerWaalsContact O-CD2 3.3Å; S178-Y181 WeakPolarHBondContact O-CD2 3.48Å; S178-Y181 PolarHBondContact O-N 2.62Å
179	S	97	Very high	96.6	Very high	45 Å²	45	39.6 Å²	39.6	32%	0.315	20%	0.2	S	C	.	.	H	α-helix	trans	-59.9	-26.1	174.3	68.7	0	0	0	0	112	D177 Y181 N182 Q183	D177-S179 PolarHBondContact O-N 3.37Å; D177-S179 WeakPolarHBondContact OD1-CA 3.09Å; D177-S179 WeakPolarHBondContact OD1-CB 3.44Å; D177-S179 PolarHBondContact OD1-N 3.01Å; D177-S179 PolarHBondContact OD1-OG 3.35Å; S179-Y181 PolarHBondContact O-N 3.1Å; S179-Y181 VanDerWaalsContact O-N 3.16Å; S179-N182 PolarHBondContact O-N 2.91Å; S179-Q183 WeakPolarHBondContact O-CG 3.5Å; S179-Q183 PolarHBondContact O-N 3.08Å; S179-Q183 PolarHBondContact OG-NE2 3.37Å; S179-Q183 VanDerWaalsContact OG-NE2 3.1Å
180	I	97.9	Very high	96.6	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-53.3	-36.7	177.8	-169.9	57.2	0	0	0	112.5	F14 V15 L18 L173 N175 D177 S178 N182 Q183 I184	F14-I180 HydrophobicContact CE1-CG2 4.34Å; V15-I180 HydrophobicContact CG2-CD1 4.04Å; V15-I180 HydrophobicContact CG2-CG1 4.06Å; L18-I180 HydrophobicContact CD1-CG1 4.34Å; L18-I180 HydrophobicContact CD1-CG2 4.4Å; L173-I180 HydrophobicContact CB-CD1 3.96Å; L173-I180 HydrophobicContact CD2-CD1 4.39Å; N175-I180 HydrophobicContact CB-CD1 4.26Å; N175-I180 HydrophobicContact CB-CG1 4.25Å; D177-I180 WeakPolarHBondContact O-CG2 3.46Å; D177-I180 PolarHBondContact O-N 3.21Å; S178-I180 PolarHBondContact O-N 2.95Å; S178-I180 VanDerWaalsContact O-N 3.16Å; I180-N182 VanDerWaalsContact C-N 3.34Å; I180-N182 PolarHBondContact O-N 3.15Å; I180-Q183 PolarHBondContact O-N 2.9Å; I180-I184 HydrophobicContact CD1-CG1 4.19Å; I180-I184 HydrophobicContact CG1-CG1 4.24Å; I180-I184 WeakPolarHBondContact O-CB 3.46Å; I180-I184 WeakPolarHBondContact O-CG1 3.48Å; I180-I184 PolarHBondContact O-N 3.27Å
181	Y	98.2	Very high	96.5	Very high	130 Å²	130	41.2 Å²	41.2	51%	0.51	21%	0.207	S	C	.	.	H	α-helix	trans	-62.8	-41.6	178.7	-65.7	-75.9	0	0	0	111.9	F14 L18 S178 S179 D185	F14-Y181 HydrophobicContact CZ-CE1 4.26Å; L18-Y181 HydrophobicContact CD1-CD1 4.05Å; L18-Y181 HydrophobicContact CD1-CE1 4.02Å; L18-Y181 HydrophobicContact CD2-CD1 4.08Å; L18-Y181 HydrophobicContact CD2-CE1 3.71Å; S178-Y181 VanDerWaalsContact O-CD2 3.3Å; S178-Y181 WeakPolarHBondContact O-CD2 3.48Å; S178-Y181 PolarHBondContact O-N 2.62Å; S179-Y181 PolarHBondContact O-N 3.1Å; S179-Y181 VanDerWaalsContact O-N 3.16Å; Y181-D185 WeakPolarHBondContact O-CB 3.43Å; Y181-D185 PolarHBondContact O-N 2.92Å
182	N	97.7	Very high	96.4	Very high	98 Å²	98	41.8 Å²	41.8	52%	0.524	21%	0.21	S	C	.	.	H	α-helix	trans	-71	-40.3	176.4	-176.1	58.8	0	0	0	111.5	S179 I180 I184 D185 I186	S179-N182 PolarHBondContact O-N 2.91Å; I180-N182 VanDerWaalsContact C-N 3.34Å; I180-N182 PolarHBondContact O-N 3.15Å; N182-I184 VanDerWaalsContact C-N 3.32Å; N182-I184 PolarHBondContact O-N 3.13Å; N182-D185 PolarHBondContact O-N 3.06Å; N182-I186 WeakPolarHBondContact ND2-CD1 3.37Å; N182-I186 WeakPolarHBondContact O-CB 3.31Å; N182-I186 VanDerWaalsContact O-CG1 3.28Å; N182-I186 WeakPolarHBondContact O-CG1 3.36Å; N182-I186 PolarHBondContact O-N 3.32Å
183	Q	97.9	Very high	96.2	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.028	22%	0.221	C	C	.	.	H	α-helix	trans	-57.6	-46.2	175.4	-64.6	178.2	49	0	0	111.3	L173 H174 S179 I180 L187 F212	L173-Q183 HydrophobicContact CD2-CB 3.9Å; H174-Q183 PolarHBondContact O-NE2 2.86Å; S179-Q183 WeakPolarHBondContact O-CG 3.5Å; S179-Q183 PolarHBondContact O-N 3.08Å; S179-Q183 PolarHBondContact OG-NE2 3.37Å; S179-Q183 VanDerWaalsContact OG-NE2 3.1Å; I180-Q183 PolarHBondContact O-N 2.9Å; Q183-L187 WeakPolarHBondContact O-CB 3.41Å; Q183-L187 PolarHBondContact O-N 3.47Å; Q183-F212 VanDerWaalsContact CA-CZ 3.46Å; Q183-F212 HydrophobicContact CB-CD1 4.18Å; Q183-F212 HydrophobicContact CB-CD2 3.85Å; Q183-F212 HydrophobicContact CB-CE1 4.01Å; Q183-F212 HydrophobicContact CB-CE2 3.66Å; Q183-F212 HydrophobicContact CB-CG 4.09Å; Q183-F212 HydrophobicContact CB-CZ 3.73Å; Q183-F212 HydrophobicContact CG-CB 4.03Å; Q183-F212 HydrophobicContact CG-CD1 3.68Å; Q183-F212 HydrophobicContact CG-CD2 3.8Å; Q183-F212 HydrophobicContact CG-CE1 4Å; Q183-F212 HydrophobicContact CG-CE2 4.09Å; Q183-F212 HydrophobicContact CG-CG 3.56Å; Q183-F212 HydrophobicContact CG-CZ 4.17Å; Q183-F212 WeakPolarHBondContact O-CZ 3.43Å
184	I	97.9	Very high	95.7	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.015	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-46.6	177.2	-67.4	-70.1	0	0	0	111.2	V15 L18 L19 A22 L173 I180 N182 I186 L187 C188	V15-I184 HydrophobicContact CG1-CD1 3.85Å; L18-I184 HydrophobicContact CB-CD1 4.47Å; L18-I184 HydrophobicContact CB-CG1 4.15Å; L18-I184 HydrophobicContact CB-CG2 4.13Å; L18-I184 HydrophobicContact CD1-CG1 4.28Å; L19-I184 HydrophobicContact CD2-CD1 3.66Å; L19-I184 HydrophobicContact CD2-CG2 4.34Å; L19-I184 HydrophobicContact CG-CD1 3.84Å; A22-I184 HydrophobicContact CB-CG2 3.5Å; L173-I184 HydrophobicContact CD1-CD1 3.83Å; L173-I184 HydrophobicContact CD2-CD1 4.21Å; I180-I184 HydrophobicContact CD1-CG1 4.19Å; I180-I184 HydrophobicContact CG1-CG1 4.24Å; I180-I184 WeakPolarHBondContact O-CB 3.46Å; I180-I184 WeakPolarHBondContact O-CG1 3.48Å; I180-I184 PolarHBondContact O-N 3.27Å; N182-I184 VanDerWaalsContact C-N 3.32Å; N182-I184 PolarHBondContact O-N 3.13Å; I184-I186 PolarHBondContact O-N 3.27Å; I184-L187 PolarHBondContact O-N 2.93Å; I184-C188 WeakPolarHBondContact O-CB 3.37Å; I184-C188 PolarHBondContact O-N 3Å; I184-C188 PolarHBondContact O-SG 3.11Å
185	D	97.4	Very high	95.2	Very high	20 Å²	20	43.4 Å²	43.4	11%	0.107	23%	0.231	C	C	.	.	H	α-helix	trans	-64.5	-42.6	-177.7	-158.9	77.3	0	0	0	111.8	R25 N26 Y181 N182 C188 R189	R25-D185 IonicContact CZ-OD1 3.28Å; R25-D185 IonicContact NE-OD1 4Å; R25-D185 IonicContact NH2-OD1 2.87Å; R25-D185 PolarHBondContact NH2-OD1 3.39Å; N26-D185 PolarHBondContact ND2-OD1 3.38Å; Y181-D185 WeakPolarHBondContact O-CB 3.43Å; Y181-D185 PolarHBondContact O-N 2.92Å; N182-D185 PolarHBondContact O-N 3.06Å; D185-C188 PolarHBondContact O-N 3.48Å; D185-R189 WeakPolarHBondContact O-CG 3.14Å; D185-R189 PolarHBondContact O-N 3.47Å; D185-R189 IonicContact OD2-CZ 3.05Å; D185-R189 IonicContact OD2-NE 2.88Å; D185-R189 PolarHBondContact OD2-NE 3.3Å; D185-R189 IonicContact OD2-NH2 2.6Å; D185-R189 PolarHBondContact OD2-NH2 2.97Å
186	I	96.1	Very high	94.6	Very high	43 Å²	43	45.4 Å²	45.4	22%	0.221	24%	0.244	C	C	.	.	H	α-helix	trans	-58.6	-51.5	172.3	-68.2	170.3	0	0	0	110.1	N182 I184 C188 R189 H190 L210 F212	N182-I186 WeakPolarHBondContact ND2-CD1 3.37Å; N182-I186 WeakPolarHBondContact O-CB 3.31Å; N182-I186 VanDerWaalsContact O-CG1 3.28Å; N182-I186 WeakPolarHBondContact O-CG1 3.36Å; N182-I186 PolarHBondContact O-N 3.32Å; I184-I186 PolarHBondContact O-N 3.27Å; I186-C188 PolarHBondContact O-N 3.41Å; I186-R189 PolarHBondContact O-N 3.43Å; I186-H190 PolarHBondContact O-N 3.16Å; I186-H190 VanDerWaalsContact O-N 3.1Å; I186-H190 PolarHBondContact O-ND1 3.3Å; I186-L210 HydrophobicContact CG2-CD1 4.42Å; I186-L210 HydrophobicContact CG2-CD2 4.06Å; I186-F212 HydrophobicContact CB-CE1 4.19Å; I186-F212 HydrophobicContact CB-CZ 4.15Å; I186-F212 HydrophobicContact CD1-CE1 4.05Å; I186-F212 HydrophobicContact CG2-CE1 4.11Å; I186-F212 HydrophobicContact CG2-CZ 4.13Å
187	L	96	Very high	94	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-45.8	-179.2	178.2	61.3	0	0	0	111.7	L19 M132 L134 C171 L173 Q183 I184 H190 I191 F208 L210	L19-L187 HydrophobicContact CD2-CD2 3.99Å; M132-L187 HydrophobicContact CE-CD1 3.97Å; L134-L187 HydrophobicContact CD1-CD2 4.06Å; L134-L187 HydrophobicContact CD2-CD1 4.49Å; L134-L187 HydrophobicContact CD2-CD2 3.88Å; C171-L187 HydrophobicContact CB-CD1 4.32Å; L173-L187 HydrophobicContact CD1-CD2 4.07Å; L173-L187 HydrophobicContact CD2-CD2 4.14Å; L173-L187 HydrophobicContact CG-CD2 4.45Å; Q183-L187 WeakPolarHBondContact O-CB 3.41Å; Q183-L187 PolarHBondContact O-N 3.47Å; I184-L187 PolarHBondContact O-N 2.93Å; L187-H190 PolarHBondContact O-N 3.49Å; L187-I191 HydrophobicContact CD1-CD1 4.23Å; L187-I191 HydrophobicContact CD1-CG1 4.35Å; L187-I191 HydrophobicContact CG-CD1 3.91Å; L187-I191 HydrophobicContact CG-CG1 4.48Å; L187-I191 VanDerWaalsContact O-CG1 3.28Å; L187-I191 WeakPolarHBondContact O-CG1 3.26Å; L187-I191 PolarHBondContact O-N 3.11Å; L187-F208 HydrophobicContact CD1-CE2 4.45Å; L187-L210 HydrophobicContact CB-CD2 4.13Å; L187-L210 HydrophobicContact CD1-CD2 4.04Å
188	C	96.2	Very high	93.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-43.6	-179.9	-70.3	0	0	0	0	112.5	A22 L23 I184 D185 I186 H190 I191 L192	A22-C188 HydrophobicContact CB-CB 4.11Å; A22-C188 VanDerWaalsContact CB-SG 3.53Å; L23-C188 HydrophobicContact CD2-CB 4.07Å; L23-C188 HydrophobicContact CG-CB 4.35Å; I184-C188 WeakPolarHBondContact O-CB 3.37Å; I184-C188 PolarHBondContact O-N 3Å; I184-C188 PolarHBondContact O-SG 3.11Å; D185-C188 PolarHBondContact O-N 3.48Å; I186-C188 PolarHBondContact O-N 3.41Å; C188-H190 VanDerWaalsContact C-N 3.29Å; C188-H190 PolarHBondContact O-N 2.84Å; C188-I191 PolarHBondContact O-N 3.11Å; C188-L192 VanDerWaalsContact O-CG 3.3Å; C188-L192 WeakPolarHBondContact O-CG 3.46Å; C188-L192 PolarHBondContact O-N 3.31Å
189	R	94.5	Very high	92.6	Very high	139 Å²	139	45.2 Å²	45.2	53%	0.525	23%	0.23	S	C	.	.	H	α-helix	trans	-59.9	-41	174.2	-68.3	-176	-145.7	162.4	-0.4	111.7	N26 D185 I186 L192 A193	N26-R189 HydrophobicContact CB-CG 4.42Å; N26-R189 WeakPolarHBondContact OD1-CG 3.21Å; D185-R189 WeakPolarHBondContact O-CG 3.14Å; D185-R189 PolarHBondContact O-N 3.47Å; D185-R189 IonicContact OD2-CZ 3.05Å; D185-R189 IonicContact OD2-NE 2.88Å; D185-R189 PolarHBondContact OD2-NE 3.3Å; D185-R189 IonicContact OD2-NH2 2.6Å; D185-R189 PolarHBondContact OD2-NH2 2.97Å; I186-R189 PolarHBondContact O-N 3.43Å; R189-L192 PolarHBondContact O-N 3.29Å; R189-A193 VanDerWaalsContact O-CB 3.31Å; R189-A193 WeakPolarHBondContact O-CB 3.44Å; R189-A193 PolarHBondContact O-N 2.89Å
190	H	92.5	Very high	91.9	Very high	80 Å²	80	50.6 Å²	50.6	37%	0.37	25%	0.25	S	C	.	.	H	α-helix	trans	-65.6	-42.4	176.8	-75.8	85.7	0	0	0	112.4	I186 L187 C188 L192 S194 F208	I186-H190 PolarHBondContact O-N 3.16Å; I186-H190 VanDerWaalsContact O-N 3.1Å; I186-H190 PolarHBondContact O-ND1 3.3Å; L187-H190 PolarHBondContact O-N 3.49Å; C188-H190 VanDerWaalsContact C-N 3.29Å; C188-H190 PolarHBondContact O-N 2.84Å; H190-L192 PolarHBondContact O-N 3.37Å; H190-S194 VanDerWaalsContact O-CB 3.25Å; H190-S194 WeakPolarHBondContact O-CB 3.5Å; H190-S194 PolarHBondContact O-N 2.94Å; H190-S194 PolarHBondContact O-OG 3.48Å; H190-F208 HydrophobicContact CB-CE1 4.27Å; H190-F208 HydrophobicContact CB-CZ 3.81Å
191	I	92.7	Very high	91	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-57.1	-50.2	175.4	-69.9	165	0	0	0	110.5	L2 L23 L130 M132 L187 C188 S194 T195	L2-I191 HydrophobicContact CD1-CD1 4.01Å; L2-I191 HydrophobicContact CD2-CD1 3.84Å; L2-I191 HydrophobicContact CD2-CG1 4.5Å; L23-I191 HydrophobicContact CD2-CB 4.27Å; L23-I191 HydrophobicContact CD2-CD1 4.28Å; L23-I191 HydrophobicContact CD2-CG2 4Å; L130-I191 HydrophobicContact CD2-CG2 4.3Å; M132-I191 HydrophobicContact CE-CD1 3.37Å; M132-I191 HydrophobicContact CE-CG1 3.24Å; M132-I191 HydrophobicContact SD-CG1 4.25Å; L187-I191 HydrophobicContact CD1-CD1 4.23Å; L187-I191 HydrophobicContact CD1-CG1 4.35Å; L187-I191 HydrophobicContact CG-CD1 3.91Å; L187-I191 HydrophobicContact CG-CG1 4.48Å; L187-I191 VanDerWaalsContact O-CG1 3.28Å; L187-I191 WeakPolarHBondContact O-CG1 3.26Å; L187-I191 PolarHBondContact O-N 3.11Å; C188-I191 PolarHBondContact O-N 3.11Å; I191-S194 PolarHBondContact O-N 3.49Å; I191-T195 VanDerWaalsContact O-CB 3.31Å; I191-T195 WeakPolarHBondContact O-CB 3.4Å; I191-T195 PolarHBondContact O-N 3.37Å; I191-T195 PolarHBondContact O-OG1 3.18Å
192	L	92.9	Very high	90	Very high	14 Å²	14	51.3 Å²	51.3	7%	0.073	27%	0.266	C	S	.	.	H	α-helix	trans	-67	-46.4	-176.2	-68	167.6	0	0	0	111.7	L23 N26 I31 I104 C188 R189 H190 S194 T195 T196	L23-L192 HydrophobicContact CD2-CD2 4.38Å; L23-L192 HydrophobicContact CD2-CG 4.25Å; N26-L192 VanDerWaalsContact C-CD1 3.46Å; N26-L192 HydrophobicContact CB-CD1 3.6Å; I31-L192 HydrophobicContact CD1-CD2 3.94Å; I104-L192 HydrophobicContact CD1-CD2 4.15Å; C188-L192 VanDerWaalsContact O-CG 3.3Å; C188-L192 WeakPolarHBondContact O-CG 3.46Å; C188-L192 PolarHBondContact O-N 3.31Å; R189-L192 PolarHBondContact O-N 3.29Å; H190-L192 PolarHBondContact O-N 3.37Å; L192-S194 VanDerWaalsContact C-N 3.33Å; L192-S194 PolarHBondContact O-N 3.24Å; L192-T195 PolarHBondContact O-N 2.95Å; L192-T196 PolarHBondContact O-N 3.23Å; L192-T196 PolarHBondContact O-OG1 3.36Å
193	A	90.3	Very high	88.8	Confident	58 Å²	58	50.6 Å²	50.6	48%	0.479	27%	0.274	S	S	.	.	H	α-helix	trans	-58.7	-46.2	176.6	0	0	0	0	0	111.3	R189 T196 S197	R189-A193 VanDerWaalsContact O-CB 3.31Å; R189-A193 WeakPolarHBondContact O-CB 3.44Å; R189-A193 PolarHBondContact O-N 2.89Å; A193-T196 WeakPolarHBondContact O-CB 3.49Å; A193-T196 PolarHBondContact O-N 3.5Å; A193-S197 PolarHBondContact O-N 2.96Å; A193-S197 PolarHBondContact O-OG 3.07Å
194	S	88.1	Confident	87.4	Confident	27 Å²	27	53 Å²	53	19%	0.189	29%	0.289	C	S	.	.	H	α-helix	trans	-69.8	-35.5	-179.6	-55.3	0	0	0	0	113.1	H190 I191 L192 T196 S197 R198 F206	H190-S194 VanDerWaalsContact O-CB 3.25Å; H190-S194 WeakPolarHBondContact O-CB 3.5Å; H190-S194 PolarHBondContact O-N 2.94Å; H190-S194 PolarHBondContact O-OG 3.48Å; I191-S194 PolarHBondContact O-N 3.49Å; L192-S194 VanDerWaalsContact C-N 3.33Å; L192-S194 PolarHBondContact O-N 3.24Å; S194-T196 VanDerWaalsContact C-N 3.31Å; S194-S197 PolarHBondContact O-N 2.88Å; S194-R198 WeakPolarHBondContact O-CB 3.2Å; S194-R198 WeakPolarHBondContact O-CG 3.48Å; S194-R198 PolarHBondContact O-N 3.15Å; S194-F206 WeakPolarHBondContact OG-CE2 3.37Å
195	T	87.4	Confident	85.7	Confident	29 Å²	29	57.8 Å²	57.8	18%	0.178	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-42.9	173.9	-59.7	0	0	0	0	110.1	I104 I191 L192 R198 R199	I104-T195 HydrophobicContact CD1-CG2 4.04Å; I104-T195 HydrophobicContact CG1-CG2 4.2Å; I104-T195 HydrophobicContact CG2-CG2 4.23Å; I191-T195 VanDerWaalsContact O-CB 3.31Å; I191-T195 WeakPolarHBondContact O-CB 3.4Å; I191-T195 PolarHBondContact O-N 3.37Å; I191-T195 PolarHBondContact O-OG1 3.18Å; L192-T195 PolarHBondContact O-N 2.95Å; T195-R198 PolarHBondContact O-N 3.11Å; T195-R199 WeakPolarHBondContact O-CG 3.21Å; T195-R199 PolarHBondContact O-N 2.94Å
196	T	85.8	Confident	84.2	Confident	48 Å²	48	58.5 Å²	58.5	29%	0.294	32%	0.322	S	S	.	.	H	α-helix	trans	-61.5	-49.3	174.5	-53	0	0	0	0	111	L192 A193 S194 R198 R199 H200	L192-T196 PolarHBondContact O-N 3.23Å; L192-T196 PolarHBondContact O-OG1 3.36Å; A193-T196 WeakPolarHBondContact O-CB 3.49Å; A193-T196 PolarHBondContact O-N 3.5Å; S194-T196 VanDerWaalsContact C-N 3.31Å; T196-R198 VanDerWaalsContact C-N 3.35Å; T196-R198 PolarHBondContact O-N 3.38Å; T196-R199 PolarHBondContact O-N 3.49Å; T196-H200 PolarHBondContact O-CD2 3.32Å; T196-H200 PolarHBondContact O-N 2.93Å
197	S	84.5	Confident	82.4	Confident	63 Å²	63	62.2 Å²	62.2	44%	0.441	35%	0.347	S	S	.	.	H	α-helix	trans	-59.6	-40.5	177.5	-59.2	0	0	0	0	113.2	A193 S194 H200 N201	A193-S197 PolarHBondContact O-N 2.96Å; A193-S197 PolarHBondContact O-OG 3.07Å; S194-S197 PolarHBondContact O-N 2.88Å; S197-H200 PolarHBondContact O-N 2.7Å; S197-N201 PolarHBondContact O-N 3.27Å
198	R	82.3	Confident	81	Confident	34 Å²	34	64.5 Å²	64.5	13%	0.128	36%	0.357	C	S	.	.	H	α-helix	trans	-73	-28.2	178.5	-73.9	-168.1	74.9	-157.5	0.9	113.8	S127 K128 S129 S194 T195 T196 H200 N201 P202 V204	S127-R198 PolarHBondContact O-NH2 2.93Å; K128-R198 PolarHBondContact O-NH1 2.73Å; K128-R198 VanDerWaalsContact O-NH1 3.13Å; K128-R198 PolarHBondContact O-NH2 3.48Å; S129-R198 PolarHBondContact O-NH1 2.94Å; S194-R198 WeakPolarHBondContact O-CB 3.2Å; S194-R198 WeakPolarHBondContact O-CG 3.48Å; S194-R198 PolarHBondContact O-N 3.15Å; T195-R198 PolarHBondContact O-N 3.11Å; T196-R198 VanDerWaalsContact C-N 3.35Å; T196-R198 PolarHBondContact O-N 3.38Å; R198-H200 VanDerWaalsContact C-N 3.27Å; R198-N201 CarbonylContact O-C 3.47Å; R198-N201 VanDerWaalsContact O-C 3.25Å; R198-N201 PolarHBondContact O-N 3.17Å; R198-P202 WeakPolarHBondContact O-CA 3.32Å; R198-P202 WeakPolarHBondContact O-CD 3.48Å; R198-P202 VanDerWaalsContact O-N 3.11Å; R198-V204 HydrophobicContact CG-CB 4.43Å
199	R	81.1	Confident	79.9	Confident	107 Å²	107	70.4 Å²	70.4	40%	0.404	38%	0.384	S	S	.	.	H	α-helix	trans	-62.8	-37.1	169.5	-77.3	-172.9	-63	157.7	9.5	111.2	E29 T195 T196	E29-R199 VanDerWaalsContact CD-NH1 3.32Å; E29-R199 IonicContact OE1-CZ 3.15Å; E29-R199 IonicContact OE1-NH1 3.54Å; E29-R199 PolarHBondContact OE1-NH1 2.86Å; E29-R199 IonicContact OE1-NH2 2.68Å; E29-R199 PolarHBondContact OE1-NH2 3.22Å; E29-R199 IonicContact OE2-CZ 3.18Å; E29-R199 IonicContact OE2-NH1 3.78Å; E29-R199 PolarHBondContact OE2-NH1 2.63Å; E29-R199 IonicContact OE2-NH2 2.63Å; E29-R199 PolarHBondContact OE2-NH2 2.9Å; T195-R199 WeakPolarHBondContact O-CG 3.21Å; T195-R199 PolarHBondContact O-N 2.94Å; T196-R199 PolarHBondContact O-N 3.49Å
200	H	81.7	Confident	79.2	Confident	158 Å²	158	65.1 Å²	65.1	73%	0.731	37%	0.366	S	S	*	.	H	α-helix	trans	-77.1	-38.5	174.7	-67	-60.1	0	0	0	113.5	T196 S197 R198	T196-H200 PolarHBondContact O-CD2 3.32Å; T196-H200 PolarHBondContact O-N 2.93Å; S197-H200 PolarHBondContact O-N 2.7Å; R198-H200 VanDerWaalsContact C-N 3.27Å
201	N	80.8	Confident	78.5	Confident	83 Å²	83	66.8 Å²	66.8	44%	0.444	38%	0.378	S	S	.	.			trans	-140.8	95.9	178	-177.1	1.5	0	0	0	111.3	S197 R198 A203 V204	S197-N201 PolarHBondContact O-N 3.27Å; R198-N201 CarbonylContact O-C 3.47Å; R198-N201 VanDerWaalsContact O-C 3.25Å; R198-N201 PolarHBondContact O-N 3.17Å; N201-A203 PolarHBondContact O-N 3.05Å; N201-A203 VanDerWaalsContact O-N 3.11Å; N201-A203 WeakPolarHBondContact OD1-CB 3.44Å; N201-A203 PolarHBondContact OD1-N 3.32Å; N201-V204 HydrophobicContact CB-CG2 3.84Å; N201-V204 WeakPolarHBondContact O-CG2 3.38Å; N201-V204 PolarHBondContact O-N 3.08Å; N201-V204 VanDerWaalsContact O-N 3.12Å
202	P	75.6	Confident	78	Confident	64 Å²	64	68.1 Å²	68.1	42%	0.416	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.2	-178	-26	35	0	0	0	114.8	K128 R198 V204	K128-P202 HydrophobicContact CG-CB 4.41Å; R198-P202 WeakPolarHBondContact O-CA 3.32Å; R198-P202 WeakPolarHBondContact O-CD 3.48Å; R198-P202 VanDerWaalsContact O-N 3.11Å; P202-V204 VanDerWaalsContact C-N 3.29Å
203	A	73.7	Confident	77.1	Confident	83 Å²	83	76.1 Å²	76.1	69%	0.686	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-7.6	179.7	0	0	0	0	0	113.4	N201 P205	N201-A203 PolarHBondContact O-N 3.05Å; N201-A203 VanDerWaalsContact O-N 3.11Å; N201-A203 WeakPolarHBondContact OD1-CB 3.44Å; N201-A203 PolarHBondContact OD1-N 3.32Å; A203-P205 WeakPolarHBondContact O-CD 3.48Å; A203-P205 VanDerWaalsContact O-N 3.09Å
204	V	68.3	Low	75.4	Confident	57 Å²	57	77.7 Å²	77.7	35%	0.345	44%	0.442	S	S	.	.	S	Bend	trans	-60.1	114.7	172.2	175.5	0	0	0	0	108	R198 N201 P202 F206	R198-V204 HydrophobicContact CG-CB 4.43Å; N201-V204 HydrophobicContact CB-CG2 3.84Å; N201-V204 WeakPolarHBondContact O-CG2 3.38Å; N201-V204 PolarHBondContact O-N 3.08Å; N201-V204 VanDerWaalsContact O-N 3.12Å; P202-V204 VanDerWaalsContact C-N 3.29Å; V204-F206 PolarHBondContact O-N 3.38Å
205	P	61.9	Low	74.8	Confident	103 Å²	103	80.2 Å²	80.2	67%	0.669	45%	0.454	S	S	*	.			trans	-62.6	130.8	176.6	23.2	-29.1	0	0	0	108.7	A203	A203-P205 WeakPolarHBondContact O-CD 3.48Å; A203-P205 VanDerWaalsContact O-N 3.09Å
206	F	64.9	Low	74.1	Confident	35 Å²	35	82.9 Å²	82.9	15%	0.154	47%	0.469	C	S	.	.			trans	-96.3	92.5	170.2	-168.7	-82.6	0	0	0	108.7	L130 M132 S194 V204 F208	L130-F206 HydrophobicContact CD1-CB 4.01Å; L130-F206 HydrophobicContact CD1-CD1 3.12Å; L130-F206 HydrophobicContact CD1-CD2 3.42Å; L130-F206 VanDerWaalsContact CD1-CD2 3.42Å; L130-F206 HydrophobicContact CD1-CE1 3.27Å; L130-F206 HydrophobicContact CD1-CE2 3.47Å; L130-F206 VanDerWaalsContact CD1-CE2 3.47Å; L130-F206 HydrophobicContact CD1-CG 3.21Å; L130-F206 HydrophobicContact CD1-CZ 3.39Å; L130-F206 HydrophobicContact CD2-CD2 4.12Å; L130-F206 HydrophobicContact CD2-CE1 4.45Å; L130-F206 HydrophobicContact CD2-CE2 3.55Å; L130-F206 HydrophobicContact CD2-CZ 3.75Å; L130-F206 HydrophobicContact CG-CD2 4.38Å; L130-F206 HydrophobicContact CG-CE1 4.42Å; L130-F206 HydrophobicContact CG-CE2 4.17Å; L130-F206 HydrophobicContact CG-CZ 4.19Å; M132-F206 HydrophobicContact CG-CD1 4.42Å; M132-F206 HydrophobicContact CG-CE1 3.53Å; M132-F206 HydrophobicContact CG-CZ 3.91Å; M132-F206 HydrophobicContact SD-CE1 3.43Å; M132-F206 WeakPolarHBondContact SD-CE1 3.26Å; M132-F206 HydrophobicContact SD-CZ 3.32Å; M132-F206 WeakPolarHBondContact SD-CZ 3.37Å; S194-F206 WeakPolarHBondContact OG-CE2 3.37Å; V204-F206 PolarHBondContact O-N 3.38Å; F206-F208 HydrophobicContact CD2-CE1 4.42Å; F206-F208 AromaticContact CE1-CD1 4Å; F206-F208 HydrophobicContact CE1-CD1 4Å; F206-F208 AromaticContact CE1-CE1 3.79Å; F206-F208 HydrophobicContact CE1-CE1 3.79Å; F206-F208 HydrophobicContact CE1-CZ 4.27Å; F206-F208 AromaticContact CE2-CD1 3.94Å; F206-F208 HydrophobicContact CE2-CD1 3.94Å; F206-F208 AromaticContact CE2-CE1 3.39Å; F206-F208 HydrophobicContact CE2-CE1 3.39Å; F206-F208 HydrophobicContact CE2-CZ 4.27Å; F206-F208 AromaticContact CZ-CD1 3.6Å; F206-F208 HydrophobicContact CZ-CD1 3.6Å; F206-F208 AromaticContact CZ-CE1 2.99Å; F206-F208 HydrophobicContact CZ-CE1 2.99Å; F206-F208 AromaticContact CZ-CZ 3.54Å; F206-F208 HydrophobicContact CZ-CZ 3.54Å
207	T	59.3	Low	73.5	Confident	120 Å²	120	84.8 Å²	84.8	74%	0.736	48%	0.479	S	S	*	.			trans	-140.9	88.4	173.9	42.5	0	0	0	0	107.6
208	F	66.7	Low	72.8	Confident	48 Å²	48	86.1 Å²	86.1	21%	0.211	48%	0.481	C	S	.	.			trans	-120.9	144	158.3	68.2	-103.6	0	0	0	109.6	M132 L187 H190 F206 L210	M132-F208 HydrophobicContact SD-CZ 4.09Å; L187-F208 HydrophobicContact CD1-CE2 4.45Å; H190-F208 HydrophobicContact CB-CE1 4.27Å; H190-F208 HydrophobicContact CB-CZ 3.81Å; F206-F208 HydrophobicContact CD2-CE1 4.42Å; F206-F208 AromaticContact CE1-CD1 4Å; F206-F208 HydrophobicContact CE1-CD1 4Å; F206-F208 AromaticContact CE1-CE1 3.79Å; F206-F208 HydrophobicContact CE1-CE1 3.79Å; F206-F208 HydrophobicContact CE1-CZ 4.27Å; F206-F208 AromaticContact CE2-CD1 3.94Å; F206-F208 HydrophobicContact CE2-CD1 3.94Å; F206-F208 AromaticContact CE2-CE1 3.39Å; F206-F208 HydrophobicContact CE2-CE1 3.39Å; F206-F208 HydrophobicContact CE2-CZ 4.27Å; F206-F208 AromaticContact CZ-CD1 3.6Å; F206-F208 HydrophobicContact CZ-CD1 3.6Å; F206-F208 AromaticContact CZ-CE1 2.99Å; F206-F208 HydrophobicContact CZ-CE1 2.99Å; F206-F208 AromaticContact CZ-CZ 3.54Å; F206-F208 HydrophobicContact CZ-CZ 3.54Å; F208-L210 HydrophobicContact CD2-CB 3.97Å; F208-L210 HydrophobicContact CE2-CB 3.92Å
209	Q	73.8	Confident	72.2	Confident	124 Å²	124	89.4 Å²	89.4	58%	0.579	50%	0.503	S	S	*	.			trans	-100.6	116.9	159.3	-77.5	-175.2	-39.2	0	0	106.8	W169 N170	W169-Q209 PolarHBondContact O-NE2 2.86Å; N170-Q209 CarbonylContact O-C 3.53Å; N170-Q209 VanDerWaalsContact O-CA 3.28Å; N170-Q209 WeakPolarHBondContact O-CA 3.3Å
210	L	78.4	Confident	71.6	Confident	28 Å²	28	88.2 Å²	88.2	15%	0.147	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	108.3	171.4	-171.2	61.5	0	0	0	107.6	N170 C171 I186 L187 F208 F212	N170-L210 PolarHBondContact O-N 2.98Å; C171-L210 HydrophobicContact CB-CB 4.29Å; I186-L210 HydrophobicContact CG2-CD1 4.42Å; I186-L210 HydrophobicContact CG2-CD2 4.06Å; L187-L210 HydrophobicContact CB-CD2 4.13Å; L187-L210 HydrophobicContact CD1-CD2 4.04Å; F208-L210 HydrophobicContact CD2-CB 3.97Å; F208-L210 HydrophobicContact CE2-CB 3.92Å; L210-F212 HydrophobicContact CD1-CE1 4.48Å; L210-F212 HydrophobicContact CD1-CZ 4.37Å; L210-F212 HydrophobicContact CD2-CE1 4.1Å; L210-F212 HydrophobicContact CD2-CE2 3.56Å; L210-F212 HydrophobicContact CD2-CZ 3.24Å; L210-F212 HydrophobicContact CG-CD2 4.4Å; L210-F212 HydrophobicContact CG-CE1 4.14Å; L210-F212 HydrophobicContact CG-CE2 3.76Å; L210-F212 HydrophobicContact CG-CZ 3.63Å
211	L	78.6	Confident	70.9	Confident	116 Å²	116	83.2 Å²	83.2	61%	0.607	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	108.8	179.2	-61.7	177.1	0	0	0	108.7
212	F	81.4	Confident	70.2	Confident	31 Å²	31	83.2 Å²	83.2	14%	0.136	50%	0.497	C	S	.	.			trans	-87.6	130.4	166.7	-62.4	-67.5	0	0	0	108.3	C171 L173 H174 Q183 I186 L210 G214	C171-F212 VanDerWaalsContact SG-CE2 3.54Å; L173-F212 HydrophobicContact CD2-CD2 4.22Å; L173-F212 HydrophobicContact CD2-CE2 3.84Å; H174-F212 PolarHBondContact CD2-O 3.38Å; H174-F212 PolarHBondContact NE2-O 3.23Å; Q183-F212 VanDerWaalsContact CA-CZ 3.46Å; Q183-F212 HydrophobicContact CB-CD1 4.18Å; Q183-F212 HydrophobicContact CB-CD2 3.85Å; Q183-F212 HydrophobicContact CB-CE1 4.01Å; Q183-F212 HydrophobicContact CB-CE2 3.66Å; Q183-F212 HydrophobicContact CB-CG 4.09Å; Q183-F212 HydrophobicContact CB-CZ 3.73Å; Q183-F212 HydrophobicContact CG-CB 4.03Å; Q183-F212 HydrophobicContact CG-CD1 3.68Å; Q183-F212 HydrophobicContact CG-CD2 3.8Å; Q183-F212 HydrophobicContact CG-CE1 4Å; Q183-F212 HydrophobicContact CG-CE2 4.09Å; Q183-F212 HydrophobicContact CG-CG 3.56Å; Q183-F212 HydrophobicContact CG-CZ 4.17Å; Q183-F212 WeakPolarHBondContact O-CZ 3.43Å; I186-F212 HydrophobicContact CB-CE1 4.19Å; I186-F212 HydrophobicContact CB-CZ 4.15Å; I186-F212 HydrophobicContact CD1-CE1 4.05Å; I186-F212 HydrophobicContact CG2-CE1 4.11Å; I186-F212 HydrophobicContact CG2-CZ 4.13Å; L210-F212 HydrophobicContact CD1-CE1 4.48Å; L210-F212 HydrophobicContact CD1-CZ 4.37Å; L210-F212 HydrophobicContact CD2-CE1 4.1Å; L210-F212 HydrophobicContact CD2-CE2 3.56Å; L210-F212 HydrophobicContact CD2-CZ 3.24Å; L210-F212 HydrophobicContact CG-CD2 4.4Å; L210-F212 HydrophobicContact CG-CE1 4.14Å; L210-F212 HydrophobicContact CG-CE2 3.76Å; L210-F212 HydrophobicContact CG-CZ 3.63Å; F212-G214 PolarHBondContact O-N 3.35Å
213	H	74.9	Confident	69.7	Low	182 Å²	182	84.8 Å²	84.8	84%	0.843	50%	0.504	S	S	*	.			trans	-81.6	117.8	170	-61.8	79.2	0	0	0	106.5
214	G	54.6	Low	69.3	Low	91 Å²	91	85 Å²	85	94%	0.938	49%	0.488	S	S	*	.			trans	-74.7	0	175.8	0	0	0	0	0	113.6	F212	F212-G214 PolarHBondContact O-N 3.35Å

Retrieved 214 of 214 residues in 68.8 ms (Link to these results)

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