A0A087X297_HUMAN Loading...

Kynureninase

AlphaFold DB , UniProt , Accession A0A087X297, Species HUMAN (Homo sapiens, Human), Gene KYNU, Length 236 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	A	60.9	Low	91	Very high	107 Å²	107	80.3 Å²	80.3	88%	0.884	45%	0.453	S	S	*	.				0	-43.8	0	0	0	0	0	0	110.8	T3 V4 Q5	A1-T3 PolarHBondContact O-N 3.09Å; A1-V4 PolarHBondContact O-N 3.15Å; A1-Q5 PolarHBondContact O-N 3.13Å
2	D	84.3	Confident	91.6	Very high	133 Å²	133	89.4 Å²	89.4	71%	0.711	48%	0.484	S	S	*	.	H	α-helix	trans	-61.6	-38.6	-172.9	-55	-2.7	0	0	0	114.6	V4 Q5 R6	D2-V4 PolarHBondContact O-N 3.18Å; D2-Q5 PolarHBondContact O-N 3.38Å; D2-R6 WeakPolarHBondContact O-CB 3.49Å; D2-R6 PolarHBondContact O-N 3.36Å
3	T	90.2	Very high	92	Very high	82 Å²	82	84.3 Å²	84.3	50%	0.503	46%	0.459	S	S	.	.	H	α-helix	trans	-63.1	-45.6	-179.2	-49.2	0	0	0	0	112.8	A1 R6 I7	A1-T3 PolarHBondContact O-N 3.09Å; T3-R6 PolarHBondContact O-N 2.95Å; T3-I7 HydrophobicContact CG2-CD1 3.97Å; T3-I7 WeakPolarHBondContact O-CG1 3.26Å; T3-I7 PolarHBondContact O-N 3.1Å
4	V	93.4	Very high	92.3	Very high	58 Å²	58	86.9 Å²	86.9	35%	0.352	47%	0.466	S	S	.	.	H	α-helix	trans	-67.7	-42.7	-178	-177.8	0	0	0	0	110.3	A1 D2 I7 A8 P15 V20	A1-V4 PolarHBondContact O-N 3.15Å; D2-V4 PolarHBondContact O-N 3.18Å; V4-I7 PolarHBondContact O-N 3.02Å; V4-A8 VanDerWaalsContact O-CB 3.3Å; V4-A8 WeakPolarHBondContact O-CB 3.38Å; V4-A8 PolarHBondContact O-N 2.78Å; V4-P15 HydrophobicContact CG1-CB 4.05Å; V4-V20 HydrophobicContact CG1-CG1 4.02Å
5	Q	95.1	Very high	92.6	Very high	120 Å²	120	84.3 Å²	84.3	56%	0.561	46%	0.456	S	S	*	.	H	α-helix	trans	-63.9	-41.4	177	-69.9	-169	-0.4	0	0	112.3	A1 D2 A8 A9 P15	A1-Q5 PolarHBondContact O-N 3.13Å; D2-Q5 PolarHBondContact O-N 3.38Å; Q5-A8 PolarHBondContact O-N 3.13Å; Q5-A9 WeakPolarHBondContact O-CB 3.45Å; Q5-A9 PolarHBondContact O-N 2.82Å; Q5-P15 HydrophobicContact CG-CG 4.41Å
6	R	95.7	Very high	92.7	Very high	128 Å²	128	86.5 Å²	86.5	48%	0.483	47%	0.473	S	S	.	.	H	α-helix	trans	-60.3	-51	176.5	-178.4	-174.4	62	77	2.1	111.6	D2 T3 A8 A9 E10	D2-R6 WeakPolarHBondContact O-CB 3.49Å; D2-R6 PolarHBondContact O-N 3.36Å; T3-R6 PolarHBondContact O-N 2.95Å; R6-A8 VanDerWaalsContact C-N 3.34Å; R6-A8 PolarHBondContact O-N 2.84Å; R6-A9 PolarHBondContact O-N 3.17Å; R6-E10 WeakPolarHBondContact CG-OE1 3.37Å; R6-E10 IonicContact CZ-OE1 2.83Å; R6-E10 VanDerWaalsContact NH1-CD 3.27Å; R6-E10 IonicContact NH1-OE1 3.9Å; R6-E10 PolarHBondContact NH1-OE1 3.21Å; R6-E10 IonicContact NH1-OE2 3.17Å; R6-E10 PolarHBondContact NH1-OE2 2.82Å; R6-E10 VanDerWaalsContact NH1-OE2 3.09Å; R6-E10 WeakPolarHBondContact O-CG 3.45Å; R6-E10 PolarHBondContact O-N 3.5Å
7	I	95.8	Very high	92.9	Very high	7 Å²	7	84.3 Å²	84.3	4%	0.036	46%	0.461	C	S	.	.	H	α-helix	trans	-62.1	-43	180	-70.3	168.6	0	0	0	110.8	T3 V4 A9 E10 L11 V20 H23 L24	T3-I7 HydrophobicContact CG2-CD1 3.97Å; T3-I7 WeakPolarHBondContact O-CG1 3.26Å; T3-I7 PolarHBondContact O-N 3.1Å; V4-I7 PolarHBondContact O-N 3.02Å; I7-A9 VanDerWaalsContact C-N 3.3Å; I7-A9 PolarHBondContact O-N 2.85Å; I7-E10 WeakPolarHBondContact O-CB 3.39Å; I7-E10 PolarHBondContact O-N 3.01Å; I7-L11 HydrophobicContact CG2-CD1 3.75Å; I7-L11 HydrophobicContact CG2-CG 4.26Å; I7-L11 WeakPolarHBondContact O-CB 3.43Å; I7-L11 WeakPolarHBondContact O-CG 3.4Å; I7-L11 PolarHBondContact O-N 3.45Å; I7-V20 HydrophobicContact CG2-CG1 4.01Å; I7-H23 VanDerWaalsContact CG2-CD2 3.45Å; I7-H23 WeakPolarHBondContact CG2-CD2 3.26Å; I7-L24 HydrophobicContact CD1-CD2 3.37Å; I7-L24 HydrophobicContact CD1-CG 4.07Å
8	A	96.5	Very high	93	Very high	1 Å²	1	87.8 Å²	87.8	1%	0.008	47%	0.474	C	S	.	.	H	α-helix	trans	-61.2	-39.2	177.8	0	0	0	0	0	112.5	V4 Q5 R6 L11 K12 C13 P15 V20	V4-A8 VanDerWaalsContact O-CB 3.3Å; V4-A8 WeakPolarHBondContact O-CB 3.38Å; V4-A8 PolarHBondContact O-N 2.78Å; Q5-A8 PolarHBondContact O-N 3.13Å; R6-A8 VanDerWaalsContact C-N 3.34Å; R6-A8 PolarHBondContact O-N 2.84Å; A8-L11 CarbonylContact O-C 3.54Å; A8-L11 PolarHBondContact O-N 3.24Å; A8-K12 PolarHBondContact O-N 2.86Å; A8-C13 PolarHBondContact O-N 3.36Å; A8-P15 HydrophobicContact CB-CB 4.22Å; A8-P15 HydrophobicContact CB-CG 3.95Å; A8-V20 HydrophobicContact CB-CG2 3.89Å
9	A	96.4	Very high	93.2	Very high	72 Å²	72	89.9 Å²	89.9	60%	0.595	47%	0.474	S	S	*	.	H	α-helix	trans	-65.2	-42	174.2	0	0	0	0	0	112.2	Q5 R6 I7 L11 K12	Q5-A9 WeakPolarHBondContact O-CB 3.45Å; Q5-A9 PolarHBondContact O-N 2.82Å; R6-A9 PolarHBondContact O-N 3.17Å; I7-A9 VanDerWaalsContact C-N 3.3Å; I7-A9 PolarHBondContact O-N 2.85Å; A9-L11 VanDerWaalsContact C-N 3.34Å; A9-L11 PolarHBondContact O-N 3.01Å; A9-K12 PolarHBondContact O-N 3.16Å; A9-K12 VanDerWaalsContact O-N 3.17Å
10	E	96.2	Very high	93.3	Very high	115 Å²	115	85.6 Å²	85.6	54%	0.537	45%	0.451	S	S	.	.	H	α-helix	trans	-60.8	-42.2	174.9	-72.5	167.2	-169.9	0	0	111.6	R6 I7 K12	R6-E10 WeakPolarHBondContact CG-OE1 3.37Å; R6-E10 IonicContact CZ-OE1 2.83Å; R6-E10 VanDerWaalsContact NH1-CD 3.27Å; R6-E10 IonicContact NH1-OE1 3.9Å; R6-E10 PolarHBondContact NH1-OE1 3.21Å; R6-E10 IonicContact NH1-OE2 3.17Å; R6-E10 PolarHBondContact NH1-OE2 2.82Å; R6-E10 VanDerWaalsContact NH1-OE2 3.09Å; R6-E10 WeakPolarHBondContact O-CG 3.45Å; R6-E10 PolarHBondContact O-N 3.5Å; I7-E10 WeakPolarHBondContact O-CB 3.39Å; I7-E10 PolarHBondContact O-N 3.01Å; E10-K12 VanDerWaalsContact C-N 3.28Å; E10-K12 PolarHBondContact O-N 3.25Å
11	L	96.9	Very high	93.3	Very high	60 Å²	60	83.9 Å²	83.9	31%	0.314	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-4.3	177.3	-63.9	177.5	0	0	0	114	I7 A8 A9 C13 V20 H23	I7-L11 HydrophobicContact CG2-CD1 3.75Å; I7-L11 HydrophobicContact CG2-CG 4.26Å; I7-L11 WeakPolarHBondContact O-CB 3.43Å; I7-L11 WeakPolarHBondContact O-CG 3.4Å; I7-L11 PolarHBondContact O-N 3.45Å; A8-L11 CarbonylContact O-C 3.54Å; A8-L11 PolarHBondContact O-N 3.24Å; A9-L11 VanDerWaalsContact C-N 3.34Å; A9-L11 PolarHBondContact O-N 3.01Å; L11-C13 VanDerWaalsContact C-N 3.31Å; L11-C13 PolarHBondContact O-N 2.91Å; L11-V20 HydrophobicContact CD1-CG2 4.35Å; L11-H23 HydrophobicContact CD1-CB 3.85Å
12	K	97.4	Very high	94.9	Very high	190 Å²	190	82.9 Å²	82.9	83%	0.826	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	46.2	-176.6	-56.7	177.7	-177.7	175.7	0	112.5	A8 A9 E10	A8-K12 PolarHBondContact O-N 2.86Å; A9-K12 PolarHBondContact O-N 3.16Å; A9-K12 VanDerWaalsContact O-N 3.17Å; E10-K12 VanDerWaalsContact C-N 3.28Å; E10-K12 PolarHBondContact O-N 3.25Å
13	C	97.3	Very high	95.4	Very high	23 Å²	23	78.9 Å²	78.9	16%	0.155	41%	0.406	C	S	.	.	S	Bend	trans	-134.9	174.8	179.5	65.2	0	0	0	0	111.8	A8 L11 D17 R19 V20	A8-C13 PolarHBondContact O-N 3.36Å; L11-C13 VanDerWaalsContact C-N 3.31Å; L11-C13 PolarHBondContact O-N 2.91Å; C13-D17 HydrophobicContact CB-CB 3.92Å; C13-R19 VanDerWaalsContact CB-CZ 3.47Å; C13-V20 WeakPolarHBondContact SG-CG2 3.38Å
14	H	96.9	Very high	95.6	Very high	120 Å²	120	78.1 Å²	78.1	56%	0.556	40%	0.398	S	S	*	.			trans	-74.3	146.9	173.9	-167.2	-96.5	0	0	0	110.2	T16 D17	H14-T16 PolarHBondContact ND1-N 3.19Å; H14-T16 PolarHBondContact ND1-OG1 3.12Å; H14-T16 PolarHBondContact O-N 3.1Å; H14-D17 WeakPolarHBondContact O-CB 3.49Å; H14-D17 PolarHBondContact O-N 3.13Å
15	P	95.4	Very high	95.5	Very high	48 Å²	48	79.5 Å²	79.5	31%	0.312	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-19.4	178	-30.6	37.3	0	0	0	116.5	V4 Q5 A8	V4-P15 HydrophobicContact CG1-CB 4.05Å; Q5-P15 HydrophobicContact CG-CG 4.41Å; A8-P15 HydrophobicContact CB-CB 4.22Å; A8-P15 HydrophobicContact CB-CG 3.95Å
16	T	95.1	Very high	95.5	Very high	120 Å²	120	79.6 Å²	79.6	74%	0.736	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	7.2	179.3	66.2	0	0	0	0	112.9	H14	H14-T16 PolarHBondContact ND1-N 3.19Å; H14-T16 PolarHBondContact ND1-OG1 3.12Å; H14-T16 PolarHBondContact O-N 3.1Å
17	D	96.3	Very high	95.4	Very high	49 Å²	49	79.7 Å²	79.7	26%	0.262	41%	0.41	S	S	.	.	S	Bend	trans	-72.9	138.9	177.4	-166.9	-65.8	0	0	0	109.8	C13 H14 R19 V20	C13-D17 HydrophobicContact CB-CB 3.92Å; H14-D17 WeakPolarHBondContact O-CB 3.49Å; H14-D17 PolarHBondContact O-N 3.13Å; D17-R19 PolarHBondContact O-N 3.34Å; D17-R19 VanDerWaalsContact O-N 3.09Å; D17-R19 WeakPolarHBondContact OD1-CB 3.26Å; D17-R19 WeakPolarHBondContact OD1-CG 3.46Å; D17-R19 IonicContact OD1-CZ 3.18Å; D17-R19 PolarHBondContact OD1-N 3.37Å; D17-R19 VanDerWaalsContact OD1-N 3.12Å; D17-R19 IonicContact OD1-NE 3.04Å; D17-R19 PolarHBondContact OD1-NE 3.09Å; D17-R19 IonicContact OD1-NH2 2.65Å; D17-R19 IonicContact OD2-CZ 3.71Å; D17-R19 IonicContact OD2-NE 3.32Å; D17-R19 PolarHBondContact OD2-NE 3.26Å; D17-R19 IonicContact OD2-NH2 3.86Å; D17-R19 PolarHBondContact OD2-NH2 3.16Å; D17-V20 HydrophobicContact CB-CG2 4.46Å; D17-V20 WeakPolarHBondContact O-CB 3.45Å; D17-V20 PolarHBondContact O-N 3.06Å
18	E	94	Very high	95.4	Very high	148 Å²	148	82.6 Å²	82.6	69%	0.692	43%	0.426	S	S	*	.	H	α-helix	trans	-53.4	-33.2	-178.8	-178.3	-179.1	-147.5	0	0	112.5	V20 A21 L22	E18-V20 PolarHBondContact O-N 3.06Å; E18-A21 WeakPolarHBondContact O-CB 3.48Å; E18-A21 PolarHBondContact O-N 3.13Å; E18-L22 HydrophobicContact CG-CD1 4Å; E18-L22 HydrophobicContact CG-CG 4.16Å; E18-L22 PolarHBondContact O-N 3.02Å
19	R	96.4	Very high	95.4	Very high	127 Å²	127	91.5 Å²	91.5	48%	0.479	46%	0.464	S	S	.	.	H	α-helix	trans	-57	-33.1	177	-68	174.8	-73.3	170.2	-7.3	112.9	C13 D17 H23	C13-R19 VanDerWaalsContact CB-CZ 3.47Å; D17-R19 PolarHBondContact O-N 3.34Å; D17-R19 VanDerWaalsContact O-N 3.09Å; D17-R19 WeakPolarHBondContact OD1-CB 3.26Å; D17-R19 WeakPolarHBondContact OD1-CG 3.46Å; D17-R19 IonicContact OD1-CZ 3.18Å; D17-R19 PolarHBondContact OD1-N 3.37Å; D17-R19 VanDerWaalsContact OD1-N 3.12Å; D17-R19 IonicContact OD1-NE 3.04Å; D17-R19 PolarHBondContact OD1-NE 3.09Å; D17-R19 IonicContact OD1-NH2 2.65Å; D17-R19 IonicContact OD2-CZ 3.71Å; D17-R19 IonicContact OD2-NE 3.32Å; D17-R19 PolarHBondContact OD2-NE 3.26Å; D17-R19 IonicContact OD2-NH2 3.86Å; D17-R19 PolarHBondContact OD2-NH2 3.16Å; R19-H23 WeakPolarHBondContact O-CB 3.45Å; R19-H23 PolarHBondContact O-N 3.13Å; R19-H23 VanDerWaalsContact O-N 3.09Å
20	V	96.4	Very high	95.3	Very high	3 Å²	3	93 Å²	93	2%	0.018	46%	0.461	C	S	.	.	H	α-helix	trans	-68.9	-43	176.9	-176.4	0	0	0	0	110.3	V4 I7 A8 L11 C13 D17 E18 H23 L24	V4-V20 HydrophobicContact CG1-CG1 4.02Å; I7-V20 HydrophobicContact CG2-CG1 4.01Å; A8-V20 HydrophobicContact CB-CG2 3.89Å; L11-V20 HydrophobicContact CD1-CG2 4.35Å; C13-V20 WeakPolarHBondContact SG-CG2 3.38Å; D17-V20 HydrophobicContact CB-CG2 4.46Å; D17-V20 WeakPolarHBondContact O-CB 3.45Å; D17-V20 PolarHBondContact O-N 3.06Å; E18-V20 PolarHBondContact O-N 3.06Å; V20-H23 PolarHBondContact O-N 3.12Å; V20-L24 HydrophobicContact CG1-CD1 4.17Å; V20-L24 WeakPolarHBondContact O-CG 3.43Å; V20-L24 PolarHBondContact O-N 3.46Å
21	A	93.1	Very high	95.3	Very high	51 Å²	51	94.2 Å²	94.2	42%	0.421	46%	0.461	S	S	.	.	H	α-helix	trans	-64.8	-46.9	178.7	0	0	0	0	0	111.3	E18 H23 L24 D25	E18-A21 WeakPolarHBondContact O-CB 3.48Å; E18-A21 PolarHBondContact O-N 3.13Å; A21-H23 VanDerWaalsContact C-N 3.34Å; A21-H23 PolarHBondContact O-N 3.08Å; A21-L24 PolarHBondContact O-N 3.39Å; A21-D25 PolarHBondContact O-N 3.27Å
22	L	93.6	Very high	95.2	Very high	86 Å²	86	96.1 Å²	96.1	45%	0.45	47%	0.468	S	S	.	.	H	α-helix	trans	-61.3	-41.2	178	-67.9	174.1	0	0	0	112.2	E18 D25 E26	E18-L22 HydrophobicContact CG-CD1 4Å; E18-L22 HydrophobicContact CG-CG 4.16Å; E18-L22 PolarHBondContact O-N 3.02Å; L22-D25 PolarHBondContact O-N 2.95Å; L22-E26 WeakPolarHBondContact O-CG 3.19Å; L22-E26 PolarHBondContact O-N 3.42Å
23	H	95.4	Very high	95.1	Very high	48 Å²	48	92 Å²	92	22%	0.222	45%	0.45	C	S	.	.	H	α-helix	trans	-63.9	-41	175.6	-179.7	73.4	0	0	0	112.4	I7 L11 R19 V20 A21 D25 E26 E27	I7-H23 VanDerWaalsContact CG2-CD2 3.45Å; I7-H23 WeakPolarHBondContact CG2-CD2 3.26Å; L11-H23 HydrophobicContact CD1-CB 3.85Å; R19-H23 WeakPolarHBondContact O-CB 3.45Å; R19-H23 PolarHBondContact O-N 3.13Å; R19-H23 VanDerWaalsContact O-N 3.09Å; V20-H23 PolarHBondContact O-N 3.12Å; A21-H23 VanDerWaalsContact C-N 3.34Å; A21-H23 PolarHBondContact O-N 3.08Å; H23-D25 VanDerWaalsContact C-N 3.33Å; H23-E26 PolarHBondContact O-N 3.08Å; H23-E27 PolarHBondContact O-N 3.05Å; H23-E27 VanDerWaalsContact O-N 3.1Å
24	L	94.1	Very high	94.9	Very high	66 Å²	66	97.4 Å²	97.4	35%	0.346	47%	0.468	S	S	.	.	H	α-helix	trans	-64.1	-38.1	175.5	-76.6	169	0	0	0	112.1	I7 V20 A21 D28	I7-L24 HydrophobicContact CD1-CD2 3.37Å; I7-L24 HydrophobicContact CD1-CG 4.07Å; V20-L24 HydrophobicContact CG1-CD1 4.17Å; V20-L24 WeakPolarHBondContact O-CG 3.43Å; V20-L24 PolarHBondContact O-N 3.46Å; A21-L24 PolarHBondContact O-N 3.39Å; L24-D28 PolarHBondContact O-N 2.93Å; L24-D28 VanDerWaalsContact O-N 3.14Å
25	D	92.3	Very high	94.8	Very high	88 Å²	88	98.7 Å²	98.7	47%	0.471	47%	0.474	S	S	.	.	H	α-helix	trans	-66.1	-36.7	174.5	-77.1	-14.4	0	0	0	112.1	A21 L22 H23	A21-D25 PolarHBondContact O-N 3.27Å; L22-D25 PolarHBondContact O-N 2.95Å; H23-D25 VanDerWaalsContact C-N 3.33Å
26	E	94.2	Very high	94.9	Very high	122 Å²	122	99.3 Å²	99.3	57%	0.57	48%	0.479	S	S	*	.	H	α-helix	trans	-66.7	-43.5	177.8	-77.6	176.9	173.2	0	0	112.4	L22 H23 D28 R31	L22-E26 WeakPolarHBondContact O-CG 3.19Å; L22-E26 PolarHBondContact O-N 3.42Å; H23-E26 PolarHBondContact O-N 3.08Å; E26-D28 VanDerWaalsContact C-N 3.31Å; E26-R31 PolarHBondContact O-NH1 3.27Å
27	E	94.7	Very high	95	Very high	130 Å²	130	97 Å²	97	61%	0.607	46%	0.459	S	S	*	.	H	α-helix	trans	-79.6	-9.8	-179.1	-69.6	-66.5	126.4	0	0	113.4	H23 K29	H23-E27 PolarHBondContact O-N 3.05Å; H23-E27 VanDerWaalsContact O-N 3.1Å; E27-K29 PolarHBondContact O-N 2.83Å
28	D	94.3	Very high	95	Very high	67 Å²	67	99.8 Å²	99.8	36%	0.358	47%	0.466	S	S	.	.			trans	-66.8	106.6	177.5	-178.7	14.8	0	0	0	111.1	L24 E26 L30 R31	L24-D28 PolarHBondContact O-N 2.93Å; L24-D28 VanDerWaalsContact O-N 3.14Å; E26-D28 VanDerWaalsContact C-N 3.31Å; D28-L30 PolarHBondContact O-N 2.85Å; D28-L30 VanDerWaalsContact O-N 3.1Å; D28-L30 WeakPolarHBondContact OD1-CA 3.31Å; D28-L30 WeakPolarHBondContact OD1-CB 3.41Å; D28-L30 PolarHBondContact OD1-N 2.88Å; D28-R31 HydrophobicContact CB-CB 4.22Å; D28-R31 VanDerWaalsContact O-CB 3.25Å; D28-R31 WeakPolarHBondContact O-CB 3.47Å; D28-R31 VanDerWaalsContact O-CG 3.28Å; D28-R31 WeakPolarHBondContact O-CG 3.4Å; D28-R31 PolarHBondContact O-N 3.27Å; D28-R31 PolarHBondContact OD2-N 3.5Å
29	K	96.4	Very high	95.1	Very high	188 Å²	188	94.3 Å²	94.3	82%	0.817	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.5	175.6	-61.6	-178.3	-177.6	177.5	0	112.4	E27 H32	E27-K29 PolarHBondContact O-N 2.83Å; K29-H32 PolarHBondContact O-CE1 3.39Å; K29-H32 PolarHBondContact O-ND1 2.94Å
30	L	95.6	Very high	95.1	Very high	103 Å²	103	90 Å²	90	54%	0.539	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	2.4	179	-55.7	-178.4	0	0	0	113.1	D28 H32 F33	D28-L30 PolarHBondContact O-N 2.85Å; D28-L30 VanDerWaalsContact O-N 3.1Å; D28-L30 WeakPolarHBondContact OD1-CA 3.31Å; D28-L30 WeakPolarHBondContact OD1-CB 3.41Å; D28-L30 PolarHBondContact OD1-N 2.88Å; L30-H32 PolarHBondContact O-N 3.13Å; L30-F33 HydrophobicContact CB-CD2 3.95Å; L30-F33 HydrophobicContact CD2-CD2 4.05Å; L30-F33 HydrophobicContact CD2-CE2 3.77Å; L30-F33 WeakPolarHBondContact O-CB 3.37Å; L30-F33 WeakPolarHBondContact O-CD2 3.21Å; L30-F33 PolarHBondContact O-N 2.73Å
31	R	94.5	Very high	95.1	Very high	142 Å²	142	93.5 Å²	93.5	54%	0.536	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-52.7	-32.3	-177.1	73.1	-173.3	-168.7	-174.1	5.4	114.1	E26 D28 F33 R34	E26-R31 PolarHBondContact O-NH1 3.27Å; D28-R31 HydrophobicContact CB-CB 4.22Å; D28-R31 VanDerWaalsContact O-CB 3.25Å; D28-R31 WeakPolarHBondContact O-CB 3.47Å; D28-R31 VanDerWaalsContact O-CG 3.28Å; D28-R31 WeakPolarHBondContact O-CG 3.4Å; D28-R31 PolarHBondContact O-N 3.27Å; D28-R31 PolarHBondContact OD2-N 3.5Å; R31-F33 PolarHBondContact O-N 2.88Å; R31-R34 VanDerWaalsContact O-CB 3.28Å; R31-R34 WeakPolarHBondContact O-CB 3.37Å; R31-R34 WeakPolarHBondContact O-CG 3.41Å; R31-R34 PolarHBondContact O-N 2.83Å
32	H	95.4	Very high	95.2	Very high	100 Å²	100	92.1 Å²	92.1	46%	0.463	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-61.4	-26.3	179	68.2	-85.4	0	0	0	112.6	K29 L30 R34 E35	K29-H32 PolarHBondContact O-CE1 3.39Å; K29-H32 PolarHBondContact O-ND1 2.94Å; L30-H32 PolarHBondContact O-N 3.13Å; H32-R34 PolarHBondContact O-N 3.13Å; H32-E35 WeakPolarHBondContact O-CB 3.4Å; H32-E35 PolarHBondContact O-N 3.21Å; H32-E35 VanDerWaalsContact O-N 3.1Å
33	F	95.1	Very high	95.3	Very high	102 Å²	102	92.1 Å²	92.1	45%	0.447	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-63.6	-24.1	174.7	-78.2	-75.6	0	0	0	112.8	L30 R31 E35 C36 F37	L30-F33 HydrophobicContact CB-CD2 3.95Å; L30-F33 HydrophobicContact CD2-CD2 4.05Å; L30-F33 HydrophobicContact CD2-CE2 3.77Å; L30-F33 WeakPolarHBondContact O-CB 3.37Å; L30-F33 WeakPolarHBondContact O-CD2 3.21Å; L30-F33 PolarHBondContact O-N 2.73Å; R31-F33 PolarHBondContact O-N 2.88Å; F33-E35 PolarHBondContact O-N 3.05Å; F33-C36 WeakPolarHBondContact O-CA 3.3Å; F33-C36 VanDerWaalsContact O-CB 3.22Å; F33-C36 WeakPolarHBondContact O-CB 3.14Å; F33-C36 PolarHBondContact O-N 3.42Å; F33-F37 WeakPolarHBondContact O-CD2 3.48Å
34	R	93.7	Very high	95.3	Very high	138 Å²	138	95.1 Å²	95.1	52%	0.521	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-56.7	-32.7	174.1	-66.1	177.5	65.2	85.7	-4.4	111.5	R31 H32 C36 F37	R31-R34 VanDerWaalsContact O-CB 3.28Å; R31-R34 WeakPolarHBondContact O-CB 3.37Å; R31-R34 WeakPolarHBondContact O-CG 3.41Å; R31-R34 PolarHBondContact O-N 2.83Å; H32-R34 PolarHBondContact O-N 3.13Å; R34-C36 PolarHBondContact O-N 3.46Å; R34-F37 PolarHBondContact O-N 3.32Å
35	E	95.6	Very high	95.2	Very high	147 Å²	147	95.2 Å²	95.2	69%	0.687	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-70	-16.2	177.8	-57.4	-178.1	175.8	0	0	112.7	H32 F33 F37 K72	H32-E35 WeakPolarHBondContact O-CB 3.4Å; H32-E35 PolarHBondContact O-N 3.21Å; H32-E35 VanDerWaalsContact O-N 3.1Å; F33-E35 PolarHBondContact O-N 3.05Å; E35-F37 VanDerWaalsContact C-N 3.31Å; E35-K72 VanDerWaalsContact O-CD 3.27Å; E35-K72 WeakPolarHBondContact O-CD 3.36Å; E35-K72 WeakPolarHBondContact O-CE 3.36Å; E35-K72 PolarHBondContact O-NZ 3.23Å
36	C	97	Very high	95	Very high	60 Å²	60	96.7 Å²	96.7	41%	0.405	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-81.2	-6.9	177	-56.1	0	0	0	0	113.5	F33 R34 P71 K72	F33-C36 WeakPolarHBondContact O-CA 3.3Å; F33-C36 VanDerWaalsContact O-CB 3.22Å; F33-C36 WeakPolarHBondContact O-CB 3.14Å; F33-C36 PolarHBondContact O-N 3.42Å; R34-C36 PolarHBondContact O-N 3.46Å; C36-P71 CarbonylContact O-C 3.59Å; C36-P71 WeakPolarHBondContact O-CA 3.3Å; C36-K72 WeakPolarHBondContact O-CG 3.08Å; C36-K72 PolarHBondContact O-N 3.36Å
37	F	97.2	Very high	94.8	Very high	73 Å²	73	97.4 Å²	97.4	32%	0.32	48%	0.475	S	S	.	.	B	Isolated β-bridge	trans	-121.6	153.6	-176.1	-62	-91.4	0	0	0	112.6	F33 R34 E35 L69 Q70 P71 K72	F33-F37 WeakPolarHBondContact O-CD2 3.48Å; R34-F37 PolarHBondContact O-N 3.32Å; E35-F37 VanDerWaalsContact C-N 3.31Å; F37-L69 HydrophobicContact CB-CB 4.08Å; F37-L69 HydrophobicContact CB-CD1 4.49Å; F37-L69 HydrophobicContact CD1-CB 4.1Å; F37-L69 WeakPolarHBondContact CD1-O 3.49Å; F37-L69 HydrophobicContact CG-CB 4.4Å; F37-Q70 WeakPolarHBondContact CA-O 3.29Å; F37-P71 HydrophobicContact CD1-CB 4.22Å; F37-P71 HydrophobicContact CD1-CG 4.18Å; F37-P71 HydrophobicContact CE1-CB 4.09Å; F37-P71 HydrophobicContact CE1-CG 3.82Å; F37-K72 VanDerWaalsContact O-CE 3.23Å; F37-K72 WeakPolarHBondContact O-CE 3.3Å
38	Y	96.5	Very high	94.6	Very high	107 Å²	107	94 Å²	94	42%	0.42	46%	0.463	S	S	.	.			trans	-83.2	112.3	165.7	-66.1	-68.8	0	0	0	109.3	Q70 K72	Y38-Q70 HydrophobicContact CD2-CB 4.23Å; Y38-Q70 HydrophobicContact CD2-CG 4.15Å; Y38-Q70 PolarHBondContact N-O 3.39Å; Y38-K72 HydrophobicContact CD1-CG 4.13Å; Y38-K72 HydrophobicContact CD2-CG 3.98Å; Y38-K72 HydrophobicContact CE1-CD 4.3Å; Y38-K72 HydrophobicContact CE1-CG 3.9Å; Y38-K72 HydrophobicContact CE2-CB 4.04Å; Y38-K72 HydrophobicContact CE2-CG 3.77Å; Y38-K72 HydrophobicContact CG-CG 4.17Å
39	I	96.3	Very high	94.6	Very high	32 Å²	32	95.1 Å²	95.1	16%	0.164	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-94.2	124	170.6	-51.8	174.8	0	0	0	107.4	N58 A59 L69	I39-N58 HydrophobicContact CB-CB 4.38Å; I39-N58 HydrophobicContact CG2-CB 3.8Å; I39-A59 WeakPolarHBondContact CG2-O 3.29Å; I39-L69 HydrophobicContact CB-CD1 4.41Å; I39-L69 HydrophobicContact CG1-CD1 3.82Å
40	P	95.4	Very high	94.4	Very high	37 Å²	37	90.2 Å²	90.2	24%	0.24	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-58.1	142.8	179.6	-24.9	33.7	0	0	0	112	L45 A59 L69	P40-L45 HydrophobicContact CB-CD1 4.39Å; P40-L45 HydrophobicContact CB-CD2 3.73Å; P40-L45 HydrophobicContact CB-CG 4.08Å; P40-L45 HydrophobicContact CG-CD2 4.22Å; P40-A59 PolarHBondContact O-N 2.9Å; P40-L69 HydrophobicContact CG-CD2 4.39Å
41	K	96.1	Very high	94.3	Very high	76 Å²	76	90 Å²	90	33%	0.33	46%	0.459	S	S	.	.	B	Isolated β-bridge	trans	-75.6	147.3	164.1	-63.1	-58	-165.9	171.8	0	109.5	Q43 D44 D56 E57 N58	K41-Q43 HydrophobicContact CB-CG 4.05Å; K41-Q43 PolarHBondContact O-N 2.98Å; K41-D44 WeakPolarHBondContact CB-OD2 3.46Å; K41-D44 PolarHBondContact O-N 3.41Å; K41-D56 WeakPolarHBondContact CD-O 3.41Å; K41-D56 WeakPolarHBondContact CE-O 3.44Å; K41-D56 PolarHBondContact NZ-O 2.83Å; K41-E57 WeakPolarHBondContact CA-O 3.49Å; K41-N58 WeakPolarHBondContact CD-OD1 3.49Å; K41-N58 VanDerWaalsContact CE-OD1 3.32Å; K41-N58 WeakPolarHBondContact CE-OD1 3.32Å; K41-N58 PolarHBondContact NZ-OD1 2.95Å
42	I	96	Very high	94.3	Very high	23 Å²	23	89.7 Å²	89.7	12%	0.118	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-55.5	-40.4	179.3	-71.6	-179.3	0	0	0	111	D44 L45 V48 L50 V53 N54 E57 A59	I42-D44 PolarHBondContact O-N 2.89Å; I42-L45 PolarHBondContact O-N 2.99Å; I42-V48 HydrophobicContact CG2-CG1 3.71Å; I42-L50 HydrophobicContact CG2-CD2 4.03Å; I42-V53 HydrophobicContact CD1-CB 4.37Å; I42-V53 HydrophobicContact CG2-CB 4.28Å; I42-V53 HydrophobicContact CG2-CG2 3.51Å; I42-N54 WeakPolarHBondContact CD1-O 3.43Å; I42-E57 HydrophobicContact CD1-CB 4.04Å; I42-E57 WeakPolarHBondContact CG1-O 3.17Å; I42-E57 PolarHBondContact N-O 3.38Å; I42-A59 HydrophobicContact CG1-CB 4.34Å
43	Q	95.3	Very high	94.2	Very high	86 Å²	86	87.9 Å²	87.9	40%	0.402	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-63.4	-21.3	177.9	71.1	-174.3	-5.4	0	0	115.5	K41 K55	K41-Q43 HydrophobicContact CB-CG 4.05Å; K41-Q43 PolarHBondContact O-N 2.98Å; Q43-K55 HydrophobicContact CB-CB 4.01Å; Q43-K55 WeakPolarHBondContact CB-O 3.28Å; Q43-K55 PolarHBondContact N-O 3.12Å; Q43-K55 VanDerWaalsContact N-O 3.12Å
44	D	95.1	Very high	94.2	Very high	111 Å²	111	86.7 Å²	86.7	59%	0.594	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-89.5	-6.2	-177.7	-59.7	-34.8	0	0	0	112.1	K41 I42	K41-D44 WeakPolarHBondContact CB-OD2 3.46Å; K41-D44 PolarHBondContact O-N 3.41Å; I42-D44 PolarHBondContact O-N 2.89Å
45	L	93.6	Very high	94.2	Very high	67 Å²	67	84.8 Å²	84.8	35%	0.351	46%	0.457	S	S	.	.	S	Bend	trans	-94.8	137.7	-175.1	-66.5	179.7	0	0	0	113	P40 I42 V48 A59	P40-L45 HydrophobicContact CB-CD1 4.39Å; P40-L45 HydrophobicContact CB-CD2 3.73Å; P40-L45 HydrophobicContact CB-CG 4.08Å; P40-L45 HydrophobicContact CG-CD2 4.22Å; I42-L45 PolarHBondContact O-N 2.99Å; L45-V48 HydrophobicContact CB-CG2 3.88Å; L45-V48 WeakPolarHBondContact O-CG2 3.29Å; L45-A59 HydrophobicContact CD1-CB 3.43Å; L45-A59 VanDerWaalsContact CD1-CB 3.43Å
46	P	88.1	Confident	94.2	Very high	120 Å²	120	81.9 Å²	81.9	78%	0.779	45%	0.446	S	S	*	.	S	Bend	trans	-104	142.3	175.1	35.4	-31.2	0	0	0	114.3
47	P	89.1	Confident	94.2	Very high	136 Å²	136	84 Å²	84	88%	0.883	45%	0.45	S	S	*	.	S	Bend	cis	-85.5	140.9	-32.1	33.9	-29	0	0	0	111.4
48	V	90.8	Very high	94.1	Very high	58 Å²	58	84 Å²	84	35%	0.352	45%	0.453	S	S	.	.			trans	-127.1	134.4	174.8	-179.9	0	0	0	0	110.4	I42 L45 L50 V53	I42-V48 HydrophobicContact CG2-CG1 3.71Å; L45-V48 HydrophobicContact CB-CG2 3.88Å; L45-V48 WeakPolarHBondContact O-CG2 3.29Å; V48-L50 HydrophobicContact CB-CD2 4.4Å; V48-L50 HydrophobicContact CG1-CD2 3.97Å; V48-L50 PolarHBondContact O-N 3.19Å; V48-V53 HydrophobicContact CG1-CG2 3.64Å
49	D	93.4	Very high	93.9	Very high	92 Å²	92	79.4 Å²	79.4	49%	0.492	44%	0.437	S	S	.	.			trans	-82.8	96.7	169.6	-175.2	-9.4	0	0	0	110.4	S51 L52	D49-S51 VanDerWaalsContact CG-OG 3.29Å; D49-S51 PolarHBondContact O-N 3.01Å; D49-S51 VanDerWaalsContact O-N 3.11Å; D49-S51 VanDerWaalsContact OD1-CB 3.29Å; D49-S51 WeakPolarHBondContact OD1-CB 3.48Å; D49-S51 PolarHBondContact OD1-N 3.49Å; D49-S51 PolarHBondContact OD1-OG 3.1Å; D49-S51 PolarHBondContact OD2-OG 2.78Å; D49-L52 HydrophobicContact CB-CD1 4.26Å; D49-L52 HydrophobicContact CB-CG 4.44Å; D49-L52 PolarHBondContact O-N 3.41Å; D49-L52 VanDerWaalsContact O-N 3.13Å
50	L	92.1	Very high	93.7	Very high	84 Å²	84	84.4 Å²	84.4	44%	0.44	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-4.8	-178.6	-58.6	-179.9	0	0	0	114.1	I42 V48 L52 V53 K55	I42-L50 HydrophobicContact CG2-CD2 4.03Å; V48-L50 HydrophobicContact CB-CD2 4.4Å; V48-L50 HydrophobicContact CG1-CD2 3.97Å; V48-L50 PolarHBondContact O-N 3.19Å; L50-L52 VanDerWaalsContact C-N 3.27Å; L50-V53 HydrophobicContact CD2-CG2 4.28Å; L50-K55 HydrophobicContact CD1-CB 4.29Å; L50-K55 HydrophobicContact CD2-CB 3.92Å
51	S	94.1	Very high	93.6	Very high	98 Å²	98	86.2 Å²	86.2	69%	0.685	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-18.6	171.2	74.3	0	0	0	0	112.9	D49	D49-S51 VanDerWaalsContact CG-OG 3.29Å; D49-S51 PolarHBondContact O-N 3.01Å; D49-S51 VanDerWaalsContact O-N 3.11Å; D49-S51 VanDerWaalsContact OD1-CB 3.29Å; D49-S51 WeakPolarHBondContact OD1-CB 3.48Å; D49-S51 PolarHBondContact OD1-N 3.49Å; D49-S51 PolarHBondContact OD1-OG 3.1Å; D49-S51 PolarHBondContact OD2-OG 2.78Å
52	L	93.8	Very high	93.4	Very high	137 Å²	137	91.5 Å²	91.5	72%	0.717	49%	0.489	S	S	*	.	S	Bend	trans	-102.9	-11.8	-175.5	-59.5	179.2	0	0	0	113.6	D49 L50	D49-L52 HydrophobicContact CB-CD1 4.26Å; D49-L52 HydrophobicContact CB-CG 4.44Å; D49-L52 PolarHBondContact O-N 3.41Å; D49-L52 VanDerWaalsContact O-N 3.13Å; L50-L52 VanDerWaalsContact C-N 3.27Å
53	V	93.4	Very high	93.1	Very high	62 Å²	62	94.9 Å²	94.9	38%	0.376	51%	0.507	S	S	.	.	S	Bend	trans	-141.5	155.2	-170.1	-65.1	0	0	0	0	111.5	I42 V48 L50 K55	I42-V53 HydrophobicContact CD1-CB 4.37Å; I42-V53 HydrophobicContact CG2-CB 4.28Å; I42-V53 HydrophobicContact CG2-CG2 3.51Å; V48-V53 HydrophobicContact CG1-CG2 3.64Å; L50-V53 HydrophobicContact CD2-CG2 4.28Å; V53-K55 PolarHBondContact O-N 2.69Å
54	N	95.1	Very high	92.7	Very high	77 Å²	77	93.3 Å²	93.3	41%	0.412	51%	0.513	S	S	.	.			trans	-77.9	114.6	173.1	-175.8	-7	0	0	0	110.4	I42 D56 E57	I42-N54 WeakPolarHBondContact CD1-O 3.43Å; N54-D56 PolarHBondContact O-N 3.36Å; N54-D56 PolarHBondContact OD1-N 2.88Å; N54-E57 HydrophobicContact CB-CB 4.34Å; N54-E57 VanDerWaalsContact CB-CD 3.49Å; N54-E57 HydrophobicContact CB-CG 3.92Å; N54-E57 VanDerWaalsContact CB-OE1 3.32Å; N54-E57 WeakPolarHBondContact CB-OE1 3.43Å; N54-E57 PolarHBondContact ND2-OE1 3.31Å; N54-E57 PolarHBondContact O-N 3.37Å
55	K	94.8	Very high	92.3	Very high	98 Å²	98	93.7 Å²	93.7	43%	0.426	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.9	-174.9	78.5	177.5	-175.7	167	0	114	Q43 L50 V53	Q43-K55 HydrophobicContact CB-CB 4.01Å; Q43-K55 WeakPolarHBondContact CB-O 3.28Å; Q43-K55 PolarHBondContact N-O 3.12Å; Q43-K55 VanDerWaalsContact N-O 3.12Å; L50-K55 HydrophobicContact CD1-CB 4.29Å; L50-K55 HydrophobicContact CD2-CB 3.92Å; V53-K55 PolarHBondContact O-N 2.69Å
56	D	96.1	Very high	92.1	Very high	86 Å²	86	95 Å²	95	46%	0.46	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-7	-173.1	-64.3	-53.6	0	0	0	112.6	K41 N54	K41-D56 WeakPolarHBondContact CD-O 3.41Å; K41-D56 WeakPolarHBondContact CE-O 3.44Å; K41-D56 PolarHBondContact NZ-O 2.83Å; N54-D56 PolarHBondContact O-N 3.36Å; N54-D56 PolarHBondContact OD1-N 2.88Å
57	E	95.4	Very high	92.3	Very high	104 Å²	104	95 Å²	95	49%	0.486	52%	0.523	S	S	.	.	S	Bend	trans	-75.3	156.6	175.6	-79.1	171.4	-155.3	0	0	112.1	K41 I42 N54	K41-E57 WeakPolarHBondContact CA-O 3.49Å; I42-E57 HydrophobicContact CD1-CB 4.04Å; I42-E57 WeakPolarHBondContact CG1-O 3.17Å; I42-E57 PolarHBondContact N-O 3.38Å; N54-E57 HydrophobicContact CB-CB 4.34Å; N54-E57 VanDerWaalsContact CB-CD 3.49Å; N54-E57 HydrophobicContact CB-CG 3.92Å; N54-E57 VanDerWaalsContact CB-OE1 3.32Å; N54-E57 WeakPolarHBondContact CB-OE1 3.43Å; N54-E57 PolarHBondContact ND2-OE1 3.31Å; N54-E57 PolarHBondContact O-N 3.37Å
58	N	95.2	Very high	92.5	Very high	72 Å²	72	90.9 Å²	90.9	39%	0.385	51%	0.505	S	S	.	.	B	Isolated β-bridge	trans	-74.5	141.9	172.1	-71	-10	0	0	0	109.3	I39 K41	I39-N58 HydrophobicContact CB-CB 4.38Å; I39-N58 HydrophobicContact CG2-CB 3.8Å; K41-N58 WeakPolarHBondContact CD-OD1 3.49Å; K41-N58 VanDerWaalsContact CE-OD1 3.32Å; K41-N58 WeakPolarHBondContact CE-OD1 3.32Å; K41-N58 PolarHBondContact NZ-OD1 2.95Å
59	A	93.8	Very high	92.7	Very high	11 Å²	11	90 Å²	90	9%	0.091	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-68.5	147.8	173.3	0	0	0	0	0	111.8	I39 P40 I42 L45 Y61	I39-A59 WeakPolarHBondContact CG2-O 3.29Å; P40-A59 PolarHBondContact O-N 2.9Å; I42-A59 HydrophobicContact CG1-CB 4.34Å; L45-A59 HydrophobicContact CD1-CB 3.43Å; L45-A59 VanDerWaalsContact CD1-CB 3.43Å; A59-Y61 PolarHBondContact O-N 3.49Å
60	I	91.9	Very high	92.9	Very high	137 Å²	137	90.3 Å²	90.3	70%	0.703	50%	0.497	S	S	*	.			trans	-82.3	104.6	167.1	-59.2	174.3	0	0	0	107.6	F62	I60-F62 HydrophobicContact CG2-CD1 4.02Å; I60-F62 HydrophobicContact CG2-CD2 4.02Å; I60-F62 HydrophobicContact CG2-CE1 3.56Å; I60-F62 HydrophobicContact CG2-CE2 3.57Å; I60-F62 HydrophobicContact CG2-CG 4.24Å; I60-F62 HydrophobicContact CG2-CZ 3.31Å
61	Y	92.6	Very high	93.1	Very high	75 Å²	75	88.9 Å²	88.9	29%	0.294	49%	0.493	S	S	.	.			trans	-99.1	100.2	-172.8	-169.9	-98	0	0	0	112	A59 L63 L67 L69	A59-Y61 PolarHBondContact O-N 3.49Å; Y61-L63 HydrophobicContact CE1-CB 4.15Å; Y61-L63 HydrophobicContact CE2-CB 4.17Å; Y61-L67 VanDerWaalsContact CE1-O 3.32Å; Y61-L67 WeakPolarHBondContact CE1-O 3.44Å; Y61-L67 PolarHBondContact OH-O 2.7Å; Y61-L69 HydrophobicContact CD1-CD1 4.45Å; Y61-L69 HydrophobicContact CD1-CD2 3.69Å; Y61-L69 HydrophobicContact CD1-CG 3.8Å; Y61-L69 HydrophobicContact CD2-CD2 4.08Å; Y61-L69 HydrophobicContact CE1-CD2 3.96Å; Y61-L69 HydrophobicContact CE1-CG 4.17Å; Y61-L69 HydrophobicContact CE2-CD2 4.33Å; Y61-L69 HydrophobicContact CG-CD2 3.75Å; Y61-L69 HydrophobicContact CG-CG 4.25Å
62	F	91.9	Very high	93.3	Very high	188 Å²	188	88.3 Å²	88.3	83%	0.825	48%	0.477	S	S	*	.			trans	-105.7	24.8	-179.9	-67.1	-25.2	0	0	0	114.4	I60	I60-F62 HydrophobicContact CG2-CD1 4.02Å; I60-F62 HydrophobicContact CG2-CD2 4.02Å; I60-F62 HydrophobicContact CG2-CE1 3.56Å; I60-F62 HydrophobicContact CG2-CE2 3.57Å; I60-F62 HydrophobicContact CG2-CG 4.24Å; I60-F62 HydrophobicContact CG2-CZ 3.31Å
63	L	89.9	Confident	93.5	Very high	93 Å²	93	86.3 Å²	86.3	49%	0.487	47%	0.466	S	S	.	.			trans	-108.7	22.7	-178.6	-160.7	64.3	0	0	0	113.2	Y61 N65 S66 L67	Y61-L63 HydrophobicContact CE1-CB 4.15Å; Y61-L63 HydrophobicContact CE2-CB 4.17Å; L63-N65 PolarHBondContact O-N 2.91Å; L63-N65 VanDerWaalsContact O-N 3.1Å; L63-S66 PolarHBondContact O-N 3.26Å; L63-L67 PolarHBondContact O-N 3.17Å
64	G	87.1	Confident	93.7	Very high	53 Å²	53	85.9 Å²	85.9	55%	0.546	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.9	-175.9	0	0	0	0	0	114.8	S66	G64-S66 VanDerWaalsContact C-N 3.31Å
65	N	86.4	Confident	93.7	Very high	120 Å²	120	87.5 Å²	87.5	64%	0.642	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-20.2	174.9	70.1	-52.8	0	0	0	113.4	L63	L63-N65 PolarHBondContact O-N 2.91Å; L63-N65 VanDerWaalsContact O-N 3.1Å
66	S	89.3	Confident	93.8	Very high	94 Å²	94	85.7 Å²	85.7	66%	0.657	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-58	176.4	-175.2	0	0	0	0	110.8	L63 G64	L63-S66 PolarHBondContact O-N 3.26Å; G64-S66 VanDerWaalsContact C-N 3.31Å
67	L	91.5	Very high	93.8	Very high	121 Å²	121	87.3 Å²	87.3	63%	0.634	47%	0.465	S	S	*	.			trans	-140.7	126.6	178.1	-178	61.3	0	0	0	109.2	Y61 L63	Y61-L67 VanDerWaalsContact CE1-O 3.32Å; Y61-L67 WeakPolarHBondContact CE1-O 3.44Å; Y61-L67 PolarHBondContact OH-O 2.7Å; L63-L67 PolarHBondContact O-N 3.17Å
68	G	93.8	Very high	93.8	Very high	48 Å²	48	87.4 Å²	87.4	50%	0.495	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-69.4	156.3	173.6	0	0	0	0	0	112
69	L	96	Very high	93.9	Very high	41 Å²	41	88.5 Å²	88.5	22%	0.215	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-60.7	148.5	168.1	-67.7	179	0	0	0	110.4	F37 I39 P40 Y61 P71	F37-L69 HydrophobicContact CB-CB 4.08Å; F37-L69 HydrophobicContact CB-CD1 4.49Å; F37-L69 HydrophobicContact CD1-CB 4.1Å; F37-L69 WeakPolarHBondContact CD1-O 3.49Å; F37-L69 HydrophobicContact CG-CB 4.4Å; I39-L69 HydrophobicContact CB-CD1 4.41Å; I39-L69 HydrophobicContact CG1-CD1 3.82Å; P40-L69 HydrophobicContact CG-CD2 4.39Å; Y61-L69 HydrophobicContact CD1-CD1 4.45Å; Y61-L69 HydrophobicContact CD1-CD2 3.69Å; Y61-L69 HydrophobicContact CD1-CG 3.8Å; Y61-L69 HydrophobicContact CD2-CD2 4.08Å; Y61-L69 HydrophobicContact CE1-CD2 3.96Å; Y61-L69 HydrophobicContact CE1-CG 4.17Å; Y61-L69 HydrophobicContact CE2-CD2 4.33Å; Y61-L69 HydrophobicContact CG-CD2 3.75Å; Y61-L69 HydrophobicContact CG-CG 4.25Å; L69-P71 VanDerWaalsContact O-CD 3.26Å; L69-P71 WeakPolarHBondContact O-CD 3.49Å
70	Q	96.5	Very high	94	Very high	98 Å²	98	90.6 Å²	90.6	46%	0.458	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-67.2	122.1	179.1	-176	-173.1	10.8	0	0	110.5	F37 Y38 V74	F37-Q70 WeakPolarHBondContact CA-O 3.29Å; Y38-Q70 HydrophobicContact CD2-CB 4.23Å; Y38-Q70 HydrophobicContact CD2-CG 4.15Å; Y38-Q70 PolarHBondContact N-O 3.39Å; Q70-V74 HydrophobicContact CG-CB 4.44Å
71	P	97.5	Very high	94.2	Very high	54 Å²	54	86.3 Å²	86.3	35%	0.351	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-66	136	168.7	-12	24.3	0	0	0	110.5	C36 F37 L69 M73 V74	C36-P71 CarbonylContact O-C 3.59Å; C36-P71 WeakPolarHBondContact O-CA 3.3Å; F37-P71 HydrophobicContact CD1-CB 4.22Å; F37-P71 HydrophobicContact CD1-CG 4.18Å; F37-P71 HydrophobicContact CE1-CB 4.09Å; F37-P71 HydrophobicContact CE1-CG 3.82Å; L69-P71 VanDerWaalsContact O-CD 3.26Å; L69-P71 WeakPolarHBondContact O-CD 3.49Å; P71-M73 PolarHBondContact O-N 3.14Å; P71-V74 HydrophobicContact CB-CG2 4.05Å; P71-V74 HydrophobicContact CG-CG2 3.92Å; P71-V74 WeakPolarHBondContact O-CB 3.04Å; P71-V74 WeakPolarHBondContact O-CG2 3.26Å; P71-V74 PolarHBondContact O-N 2.86Å; P71-V74 VanDerWaalsContact O-N 3.07Å
72	K	97.6	Very high	94.5	Very high	85 Å²	85	87.6 Å²	87.6	37%	0.37	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-32.9	-177.4	-67.4	-176.3	-178.9	168.2	0	113.2	E35 C36 F37 Y38 V74	E35-K72 VanDerWaalsContact O-CD 3.27Å; E35-K72 WeakPolarHBondContact O-CD 3.36Å; E35-K72 WeakPolarHBondContact O-CE 3.36Å; E35-K72 PolarHBondContact O-NZ 3.23Å; C36-K72 WeakPolarHBondContact O-CG 3.08Å; C36-K72 PolarHBondContact O-N 3.36Å; F37-K72 VanDerWaalsContact O-CE 3.23Å; F37-K72 WeakPolarHBondContact O-CE 3.3Å; Y38-K72 HydrophobicContact CD1-CG 4.13Å; Y38-K72 HydrophobicContact CD2-CG 3.98Å; Y38-K72 HydrophobicContact CE1-CD 4.3Å; Y38-K72 HydrophobicContact CE1-CG 3.9Å; Y38-K72 HydrophobicContact CE2-CB 4.04Å; Y38-K72 HydrophobicContact CE2-CG 3.77Å; Y38-K72 HydrophobicContact CG-CG 4.17Å; K72-V74 VanDerWaalsContact C-N 3.25Å; K72-V74 PolarHBondContact O-N 2.82Å
73	M	97.4	Very high	94.7	Very high	95 Å²	95	82.6 Å²	82.6	47%	0.468	45%	0.449	S	S	.	.	H	α-helix	trans	-69.6	-17.5	-180	-68.1	-57.3	-61.1	0	0	114.2	P71 K75 T76 Y77	P71-M73 PolarHBondContact O-N 3.14Å; M73-K75 VanDerWaalsContact C-N 3.26Å; M73-K75 PolarHBondContact O-N 3.22Å; M73-T76 HydrophobicContact CE-CG2 4.18Å; M73-T76 PolarHBondContact O-N 3.25Å; M73-Y77 HydrophobicContact CB-CD2 4.2Å; M73-Y77 HydrophobicContact CB-CE2 3.83Å; M73-Y77 HydrophobicContact CE-CE1 4.26Å; M73-Y77 HydrophobicContact CE-CE2 4.24Å; M73-Y77 WeakPolarHBondContact O-CD2 3.4Å; M73-Y77 PolarHBondContact O-N 3.11Å
74	V	97	Very high	95	Very high	54 Å²	54	79.2 Å²	79.2	33%	0.327	43%	0.43	S	S	.	.	H	α-helix	trans	-56.4	-44.2	179.1	170.1	0	0	0	0	110.8	Q70 P71 K72 T76 Y77 L78	Q70-V74 HydrophobicContact CG-CB 4.44Å; P71-V74 HydrophobicContact CB-CG2 4.05Å; P71-V74 HydrophobicContact CG-CG2 3.92Å; P71-V74 WeakPolarHBondContact O-CB 3.04Å; P71-V74 WeakPolarHBondContact O-CG2 3.26Å; P71-V74 PolarHBondContact O-N 2.86Å; P71-V74 VanDerWaalsContact O-N 3.07Å; K72-V74 VanDerWaalsContact C-N 3.25Å; K72-V74 PolarHBondContact O-N 2.82Å; V74-T76 PolarHBondContact O-N 3.22Å; V74-Y77 PolarHBondContact O-N 3.39Å; V74-L78 HydrophobicContact CG1-CD1 3.77Å; V74-L78 HydrophobicContact CG1-CG 4.33Å; V74-L78 WeakPolarHBondContact O-CB 3.37Å; V74-L78 WeakPolarHBondContact O-CG 3.25Å; V74-L78 PolarHBondContact O-N 2.91Å
75	K	96.6	Very high	95.5	Very high	110 Å²	110	84.5 Å²	84.5	48%	0.478	43%	0.434	S	S	.	.	H	α-helix	trans	-59.2	-48.7	178.7	179.9	176.2	174.6	179.4	0	111.2	M73 Y77 L78 E79	M73-K75 VanDerWaalsContact C-N 3.26Å; M73-K75 PolarHBondContact O-N 3.22Å; K75-Y77 PolarHBondContact O-N 3.07Å; K75-L78 PolarHBondContact O-N 3.34Å; K75-E79 VanDerWaalsContact CE-CD 3.5Å; K75-E79 WeakPolarHBondContact CE-OE1 3.42Å; K75-E79 HydrophobicContact CG-CG 4.32Å; K75-E79 IonicContact NZ-OE1 3.67Å; K75-E79 WeakPolarHBondContact O-CB 3.4Å; K75-E79 WeakPolarHBondContact O-CG 3.41Å; K75-E79 PolarHBondContact O-N 3.11Å
76	T	96.7	Very high	96.1	Very high	61 Å²	61	82.9 Å²	82.9	37%	0.374	44%	0.437	S	S	.	.	H	α-helix	trans	-58.3	-48.4	-179.6	-55.9	0	0	0	0	111.9	M73 V74 E79 E80	M73-T76 HydrophobicContact CE-CG2 4.18Å; M73-T76 PolarHBondContact O-N 3.25Å; V74-T76 PolarHBondContact O-N 3.22Å; T76-E79 PolarHBondContact O-N 2.84Å; T76-E80 WeakPolarHBondContact O-CG 3.44Å; T76-E80 PolarHBondContact O-N 3.01Å
77	Y	95.2	Very high	96.5	Very high	120 Å²	120	85.6 Å²	85.6	47%	0.471	44%	0.437	S	S	.	.	H	α-helix	trans	-68	-37.8	-178.7	-65.4	-47.5	0	0	0	112.8	M73 V74 K75 E80 E81	M73-Y77 HydrophobicContact CB-CD2 4.2Å; M73-Y77 HydrophobicContact CB-CE2 3.83Å; M73-Y77 HydrophobicContact CE-CE1 4.26Å; M73-Y77 HydrophobicContact CE-CE2 4.24Å; M73-Y77 WeakPolarHBondContact O-CD2 3.4Å; M73-Y77 PolarHBondContact O-N 3.11Å; V74-Y77 PolarHBondContact O-N 3.39Å; K75-Y77 PolarHBondContact O-N 3.07Å; Y77-E80 PolarHBondContact O-N 3.2Å; Y77-E81 PolarHBondContact O-N 2.89Å
78	L	96.4	Very high	96.8	Very high	106 Å²	106	82.7 Å²	82.7	56%	0.555	42%	0.421	S	S	*	.	H	α-helix	trans	-65	-44.6	174.9	-72.3	175.4	0	0	0	111.7	V74 K75 E80 E81 L82	V74-L78 HydrophobicContact CG1-CD1 3.77Å; V74-L78 HydrophobicContact CG1-CG 4.33Å; V74-L78 WeakPolarHBondContact O-CB 3.37Å; V74-L78 WeakPolarHBondContact O-CG 3.25Å; V74-L78 PolarHBondContact O-N 2.91Å; K75-L78 PolarHBondContact O-N 3.34Å; L78-E80 VanDerWaalsContact C-N 3.33Å; L78-E80 PolarHBondContact O-N 3.09Å; L78-E81 PolarHBondContact O-N 3.32Å; L78-L82 VanDerWaalsContact O-CG 3.32Å; L78-L82 WeakPolarHBondContact O-CG 3.45Å; L78-L82 PolarHBondContact O-N 2.94Å
79	E	97.6	Very high	97	Very high	94 Å²	94	82.9 Å²	82.9	44%	0.439	42%	0.418	S	S	.	.	H	α-helix	trans	-61.1	-40.8	177	-74.9	175.8	161.1	0	0	111.6	K75 T76 E81 L82 D83	K75-E79 VanDerWaalsContact CE-CD 3.5Å; K75-E79 WeakPolarHBondContact CE-OE1 3.42Å; K75-E79 HydrophobicContact CG-CG 4.32Å; K75-E79 IonicContact NZ-OE1 3.67Å; K75-E79 WeakPolarHBondContact O-CB 3.4Å; K75-E79 WeakPolarHBondContact O-CG 3.41Å; K75-E79 PolarHBondContact O-N 3.11Å; T76-E79 PolarHBondContact O-N 2.84Å; E79-E81 VanDerWaalsContact C-N 3.32Å; E79-E81 PolarHBondContact O-N 3.48Å; E79-L82 PolarHBondContact O-N 3.29Å; E79-D83 VanDerWaalsContact O-CB 3.26Å; E79-D83 WeakPolarHBondContact O-CB 3.32Å; E79-D83 PolarHBondContact O-N 3.13Å
80	E	95.8	Very high	97	Very high	56 Å²	56	84.1 Å²	84.1	26%	0.262	43%	0.434	S	S	.	.	H	α-helix	trans	-57.8	-41.9	174.7	-75.2	-173.3	144.2	0	0	112.4	T76 Y77 L78 K84 K97 R98	T76-E80 WeakPolarHBondContact O-CG 3.44Å; T76-E80 PolarHBondContact O-N 3.01Å; Y77-E80 PolarHBondContact O-N 3.2Å; L78-E80 VanDerWaalsContact C-N 3.33Å; L78-E80 PolarHBondContact O-N 3.09Å; E80-K84 WeakPolarHBondContact O-CB 3.37Å; E80-K84 PolarHBondContact O-N 3.48Å; E80-K84 VanDerWaalsContact O-N 3.07Å; E80-K97 IonicContact OE1-NZ 2.91Å; E80-K97 PolarHBondContact OE1-NZ 3.05Å; E80-R98 IonicContact OE2-CZ 3.31Å; E80-R98 VanDerWaalsContact OE2-CZ 3.28Å; E80-R98 IonicContact OE2-NH1 2.69Å; E80-R98 PolarHBondContact OE2-NH1 3.49Å; E80-R98 IonicContact OE2-NH2 3.28Å; E80-R98 PolarHBondContact OE2-NH2 3.45Å
81	E	96.2	Very high	97.1	Very high	46 Å²	46	88.1 Å²	88.1	22%	0.215	45%	0.446	C	S	.	.	H	α-helix	trans	-74.4	-39.2	179.3	-63.6	-51.3	135.9	0	0	112.8	Y77 L78 E79 K84 W85 R98 W100	Y77-E81 PolarHBondContact O-N 2.89Å; L78-E81 PolarHBondContact O-N 3.32Å; E79-E81 VanDerWaalsContact C-N 3.32Å; E79-E81 PolarHBondContact O-N 3.48Å; E81-K84 PolarHBondContact O-N 2.98Å; E81-K84 WeakPolarHBondContact OE2-CE 3.4Å; E81-K84 IonicContact OE2-NZ 2.86Å; E81-K84 PolarHBondContact OE2-NZ 3.02Å; E81-W85 PolarHBondContact O-N 2.86Å; E81-R98 IonicContact OE1-CZ 2.82Å; E81-R98 IonicContact OE1-NE 2.73Å; E81-R98 PolarHBondContact OE1-NE 3.05Å; E81-R98 IonicContact OE1-NH2 3.21Å; E81-R98 PolarHBondContact OE1-NH2 2.86Å; E81-W100 PolarHBondContact OE2-NE1 3.13Å
82	L	97.3	Very high	97	Very high	102 Å²	102	85.5 Å²	85.5	53%	0.534	43%	0.43	S	S	.	.	H	α-helix	trans	-63.3	-43.9	175.3	-70.4	174.2	0	0	0	111.3	L78 E79 W85 A86	L78-L82 VanDerWaalsContact O-CG 3.32Å; L78-L82 WeakPolarHBondContact O-CG 3.45Å; L78-L82 PolarHBondContact O-N 2.94Å; E79-L82 PolarHBondContact O-N 3.29Å; L82-W85 HydrophobicContact CD2-CE3 4.47Å; L82-W85 PolarHBondContact O-N 3.44Å; L82-A86 WeakPolarHBondContact O-CB 3.27Å; L82-A86 PolarHBondContact O-N 2.86Å
83	D	97.4	Very high	97	Very high	83 Å²	83	86.1 Å²	86.1	44%	0.444	43%	0.434	S	S	.	.	H	α-helix	trans	-61.7	-44	175.4	-99.5	22.5	0	0	0	111.9	E79 W85 A86 K87	E79-D83 VanDerWaalsContact O-CB 3.26Å; E79-D83 WeakPolarHBondContact O-CB 3.32Å; E79-D83 PolarHBondContact O-N 3.13Å; D83-W85 VanDerWaalsContact C-N 3.33Å; D83-A86 PolarHBondContact O-N 3.1Å; D83-K87 WeakPolarHBondContact O-CB 3.47Å; D83-K87 WeakPolarHBondContact O-CD 3.38Å; D83-K87 VanDerWaalsContact O-CG 3.27Å; D83-K87 WeakPolarHBondContact O-CG 3.41Å; D83-K87 PolarHBondContact O-N 3.32Å; D83-K87 IonicContact OD2-NZ 2.95Å; D83-K87 PolarHBondContact OD2-NZ 2.86Å
84	K	96.6	Very high	96.9	Very high	22 Å²	22	88.8 Å²	88.8	10%	0.096	45%	0.445	C	S	.	.	H	α-helix	trans	-60	-47.3	176.4	-173.4	179.1	66.6	173.7	0	110.1	E80 E81 A86 K87 I88 G92 R98 W100	E80-K84 WeakPolarHBondContact O-CB 3.37Å; E80-K84 PolarHBondContact O-N 3.48Å; E80-K84 VanDerWaalsContact O-N 3.07Å; E81-K84 PolarHBondContact O-N 2.98Å; E81-K84 WeakPolarHBondContact OE2-CE 3.4Å; E81-K84 IonicContact OE2-NZ 2.86Å; E81-K84 PolarHBondContact OE2-NZ 3.02Å; K84-A86 PolarHBondContact O-N 3.38Å; K84-K87 PolarHBondContact O-N 3.33Å; K84-I88 HydrophobicContact CD-CD1 4.41Å; K84-I88 HydrophobicContact CG-CD1 3.74Å; K84-I88 HydrophobicContact CG-CG1 3.87Å; K84-I88 WeakPolarHBondContact O-CG1 3.22Å; K84-I88 PolarHBondContact O-N 3.41Å; K84-G92 PolarHBondContact NZ-O 2.94Å; K84-R98 PolarHBondContact NZ-O 3.1Å; K84-W100 VanDerWaalsContact CE-CZ2 3.45Å
85	W	97.7	Very high	96.6	Very high	165 Å²	165	89.6 Å²	89.6	63%	0.625	45%	0.45	S	S	*	.	H	α-helix	trans	-60.1	-46	177.7	-177.2	31.6	0	0	0	112.3	E81 L82 D83 K87 A89 W100	E81-W85 PolarHBondContact O-N 2.86Å; L82-W85 HydrophobicContact CD2-CE3 4.47Å; L82-W85 PolarHBondContact O-N 3.44Å; D83-W85 VanDerWaalsContact C-N 3.33Å; W85-K87 VanDerWaalsContact C-N 3.34Å; W85-K87 PolarHBondContact O-N 2.82Å; W85-A89 VanDerWaalsContact O-CA 3.25Å; W85-A89 WeakPolarHBondContact O-CA 3.36Å; W85-A89 PolarHBondContact O-N 2.91Å; W85-W100 HydrophobicContact CB-CH2 3.85Å; W85-W100 HydrophobicContact CB-CZ2 3.9Å; W85-W100 AromaticContact CD1-CH2 3.86Å; W85-W100 HydrophobicContact CG-CH2 4.1Å
86	A	98.2	Very high	96.3	Very high	85 Å²	85	86.7 Å²	86.7	70%	0.702	45%	0.451	S	S	*	.	H	α-helix	trans	-63.4	-37.6	179.8	0	0	0	0	0	113	L82 D83 K84	L82-A86 WeakPolarHBondContact O-CB 3.27Å; L82-A86 PolarHBondContact O-N 2.86Å; D83-A86 PolarHBondContact O-N 3.1Å; K84-A86 PolarHBondContact O-N 3.38Å
87	K	97.6	Very high	95.8	Very high	151 Å²	151	91.7 Å²	91.7	66%	0.657	47%	0.468	S	S	*	.	H	α-helix	trans	-82.8	-40.4	-174.2	-72.2	167	-176.2	156.4	0	113.5	D83 K84 W85	D83-K87 WeakPolarHBondContact O-CB 3.47Å; D83-K87 WeakPolarHBondContact O-CD 3.38Å; D83-K87 VanDerWaalsContact O-CG 3.27Å; D83-K87 WeakPolarHBondContact O-CG 3.41Å; D83-K87 PolarHBondContact O-N 3.32Å; D83-K87 IonicContact OD2-NZ 2.95Å; D83-K87 PolarHBondContact OD2-NZ 2.86Å; K84-K87 PolarHBondContact O-N 3.33Å; W85-K87 VanDerWaalsContact C-N 3.34Å; W85-K87 PolarHBondContact O-N 2.82Å
88	I	97.5	Very high	95.7	Very high	61 Å²	61	88.7 Å²	88.7	31%	0.313	46%	0.456	S	S	.	.	H	α-helix	trans	-128.4	2.5	-168.5	63.1	162.5	0	0	0	114	K84 A90 Y91 V95	K84-I88 HydrophobicContact CD-CD1 4.41Å; K84-I88 HydrophobicContact CG-CD1 3.74Å; K84-I88 HydrophobicContact CG-CG1 3.87Å; K84-I88 WeakPolarHBondContact O-CG1 3.22Å; K84-I88 PolarHBondContact O-N 3.41Å; I88-A90 PolarHBondContact O-N 3.31Å; I88-Y91 WeakPolarHBondContact O-CB 3.45Å; I88-Y91 WeakPolarHBondContact O-CD2 3.17Å; I88-Y91 PolarHBondContact O-N 3.35Å; I88-Y91 VanDerWaalsContact O-N 3.08Å; I88-V95 HydrophobicContact CD1-CG2 3.24Å
89	A	97.6	Very high	95.6	Very high	51 Å²	51	85.3 Å²	85.3	42%	0.421	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	48	-130.6	175.5	0	0	0	0	0	112.2	W85 Y91 G92 W100	W85-A89 VanDerWaalsContact O-CA 3.25Å; W85-A89 WeakPolarHBondContact O-CA 3.36Å; W85-A89 PolarHBondContact O-N 2.91Å; A89-Y91 PolarHBondContact O-N 2.84Å; A89-Y91 VanDerWaalsContact O-N 3.12Å; A89-G92 PolarHBondContact O-N 3.07Å; A89-W100 WeakPolarHBondContact O-CH2 3.48Å; A89-W100 VanDerWaalsContact O-CZ3 3.3Å; A89-W100 WeakPolarHBondContact O-CZ3 3.37Å
90	A	97.3	Very high	95.4	Very high	68 Å²	68	84.6 Å²	84.6	56%	0.562	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-59.3	-22.8	-177.3	0	0	0	0	0	114.1	I88 G92 H93	I88-A90 PolarHBondContact O-N 3.31Å; A90-G92 PolarHBondContact O-N 2.88Å; A90-G92 VanDerWaalsContact O-N 3.13Å; A90-H93 VanDerWaalsContact O-CB 3.31Å; A90-H93 WeakPolarHBondContact O-CB 3.46Å; A90-H93 PolarHBondContact O-CD2 2.73Å; A90-H93 PolarHBondContact O-N 2.82Å
91	Y	97.5	Very high	95.4	Very high	181 Å²	181	87.5 Å²	87.5	71%	0.71	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-62.2	-22.5	176.4	-69.2	-83.9	0	0	0	112.3	I88 A89 H93 E94 V95	I88-Y91 WeakPolarHBondContact O-CB 3.45Å; I88-Y91 WeakPolarHBondContact O-CD2 3.17Å; I88-Y91 PolarHBondContact O-N 3.35Å; I88-Y91 VanDerWaalsContact O-N 3.08Å; A89-Y91 PolarHBondContact O-N 2.84Å; A89-Y91 VanDerWaalsContact O-N 3.12Å; Y91-H93 PolarHBondContact O-N 3.21Å; Y91-E94 PolarHBondContact O-N 2.95Å; Y91-V95 WeakPolarHBondContact O-CG2 3.15Å; Y91-V95 PolarHBondContact O-N 2.87Å; Y91-V95 VanDerWaalsContact O-N 3.13Å
92	G	96.8	Very high	95.2	Very high	0 Å²	0	88 Å²	88	0%	0	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-60.1	-13.6	172.6	0	0	0	0	0	114.8	K84 A89 A90 E94 W100	K84-G92 PolarHBondContact NZ-O 2.94Å; A89-G92 PolarHBondContact O-N 3.07Å; A90-G92 PolarHBondContact O-N 2.88Å; A90-G92 VanDerWaalsContact O-N 3.13Å; G92-E94 VanDerWaalsContact C-N 3.3Å; G92-W100 PolarHBondContact O-N 3.48Å; G92-W100 VanDerWaalsContact O-N 3.14Å
93	H	96.1	Very high	94.8	Very high	98 Å²	98	84.3 Å²	84.3	45%	0.454	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-59.9	-40.2	170	-79.8	-66.7	0	0	0	112.3	A90 Y91 P99 W100 I101	A90-H93 VanDerWaalsContact O-CB 3.31Å; A90-H93 WeakPolarHBondContact O-CB 3.46Å; A90-H93 PolarHBondContact O-CD2 2.73Å; A90-H93 PolarHBondContact O-N 2.82Å; Y91-H93 PolarHBondContact O-N 3.21Å; H93-P99 CarbonylContact O-C 3.6Å; H93-P99 WeakPolarHBondContact O-CB 3.36Å; H93-W100 HydrophobicContact CB-CE3 4.49Å; H93-W100 AromaticContact CG-CE3 3.91Å; H93-W100 AromaticContact ND1-CE3 3.9Å; H93-W100 PolarHBondContact O-N 2.69Å; H93-W100 VanDerWaalsContact O-N 3.16Å; H93-I101 WeakPolarHBondContact O-CB 3.43Å; H93-I101 WeakPolarHBondContact O-CG2 3.2Å; H93-I101 PolarHBondContact O-N 3.22Å; H93-I101 VanDerWaalsContact O-N 3.09Å
94	E	95.4	Very high	94.3	Very high	151 Å²	151	84.4 Å²	84.4	71%	0.706	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-23.3	-172.1	-63.4	-179.4	-179.6	0	0	113.2	Y91 G92	Y91-E94 PolarHBondContact O-N 2.95Å; G92-E94 VanDerWaalsContact C-N 3.3Å
95	V	92.1	Very high	94	Very high	70 Å²	70	89.2 Å²	89.2	42%	0.424	47%	0.466	S	S	.	.	S	Bend	trans	-118.5	156.7	-172.5	-44.8	0	0	0	0	113.4	I88 Y91	I88-V95 HydrophobicContact CD1-CG2 3.24Å; Y91-V95 WeakPolarHBondContact O-CG2 3.15Å; Y91-V95 PolarHBondContact O-N 2.87Å; Y91-V95 VanDerWaalsContact O-N 3.13Å
96	G	88.5	Confident	93.5	Very high	50 Å²	50	84.4 Å²	84.4	52%	0.515	46%	0.457	S	S	.	.	S	Bend	trans	111.3	-179.2	177.9	0	0	0	0	0	113.1	R98	G96-R98 PolarHBondContact O-N 2.92Å
97	K	87.4	Confident	93.1	Very high	165 Å²	165	84 Å²	84	72%	0.717	44%	0.443	S	S	*	.	S	Bend	trans	-62.7	-30.2	-179.8	-64	-178.6	-172.9	171.3	0	112.9	E80	E80-K97 IonicContact OE1-NZ 2.91Å; E80-K97 PolarHBondContact OE1-NZ 3.05Å
98	R	92.3	Very high	92.9	Very high	58 Å²	58	77.7 Å²	77.7	22%	0.219	42%	0.416	C	S	.	.	S	Bend	trans	-136.6	83.3	179.4	-66.5	172.4	-62.6	-92.4	-3.4	108.6	E80 E81 K84 G96 W100	E80-R98 IonicContact OE2-CZ 3.31Å; E80-R98 VanDerWaalsContact OE2-CZ 3.28Å; E80-R98 IonicContact OE2-NH1 2.69Å; E80-R98 PolarHBondContact OE2-NH1 3.49Å; E80-R98 IonicContact OE2-NH2 3.28Å; E80-R98 PolarHBondContact OE2-NH2 3.45Å; E81-R98 IonicContact OE1-CZ 2.82Å; E81-R98 IonicContact OE1-NE 2.73Å; E81-R98 PolarHBondContact OE1-NE 3.05Å; E81-R98 IonicContact OE1-NH2 3.21Å; E81-R98 PolarHBondContact OE1-NH2 2.86Å; K84-R98 PolarHBondContact NZ-O 3.1Å; G96-R98 PolarHBondContact O-N 2.92Å; R98-W100 PolarHBondContact O-N 3.26Å
99	P	94.5	Very high	92.7	Very high	34 Å²	34	76.4 Å²	76.4	22%	0.221	42%	0.419	C	S	.	.			trans	-53.6	132.8	174.1	-25.8	36.5	0	0	0	110.2	H93 I101 T102 G103	H93-P99 CarbonylContact O-C 3.6Å; H93-P99 WeakPolarHBondContact O-CB 3.36Å; P99-I101 HydrophobicContact CB-CG2 4.42Å; P99-I101 PolarHBondContact O-N 2.98Å; P99-T102 CarbonylContact O-C 3.53Å; P99-T102 PolarHBondContact O-N 3.35Å; P99-G103 WeakPolarHBondContact O-CA 3.39Å; P99-G103 PolarHBondContact O-N 3.26Å; P99-G103 VanDerWaalsContact O-N 3.12Å
100	W	94.4	Very high	92.5	Very high	79 Å²	79	80 Å²	80	30%	0.299	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-66.5	-25.4	-174	-58.1	-41.1	0	0	0	113.3	E81 K84 W85 A89 G92 H93 R98 T102 G103	E81-W100 PolarHBondContact OE2-NE1 3.13Å; K84-W100 VanDerWaalsContact CE-CZ2 3.45Å; W85-W100 HydrophobicContact CB-CH2 3.85Å; W85-W100 HydrophobicContact CB-CZ2 3.9Å; W85-W100 AromaticContact CD1-CH2 3.86Å; W85-W100 HydrophobicContact CG-CH2 4.1Å; A89-W100 WeakPolarHBondContact O-CH2 3.48Å; A89-W100 VanDerWaalsContact O-CZ3 3.3Å; A89-W100 WeakPolarHBondContact O-CZ3 3.37Å; G92-W100 PolarHBondContact O-N 3.48Å; G92-W100 VanDerWaalsContact O-N 3.14Å; H93-W100 HydrophobicContact CB-CE3 4.49Å; H93-W100 AromaticContact CG-CE3 3.91Å; H93-W100 AromaticContact ND1-CE3 3.9Å; H93-W100 PolarHBondContact O-N 2.69Å; H93-W100 VanDerWaalsContact O-N 3.16Å; R98-W100 PolarHBondContact O-N 3.26Å; W100-T102 VanDerWaalsContact C-N 3.26Å; W100-T102 PolarHBondContact O-N 3.34Å; W100-G103 PolarHBondContact O-N 2.95Å
101	I	94.4	Very high	92.4	Very high	118 Å²	118	79 Å²	79	61%	0.605	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-66.4	-26.9	-179.3	-165.2	169.7	0	0	0	113.5	H93 P99	H93-I101 WeakPolarHBondContact O-CB 3.43Å; H93-I101 WeakPolarHBondContact O-CG2 3.2Å; H93-I101 PolarHBondContact O-N 3.22Å; H93-I101 VanDerWaalsContact O-N 3.09Å; P99-I101 HydrophobicContact CB-CG2 4.42Å; P99-I101 PolarHBondContact O-N 2.98Å
102	T	92.4	Very high	92.2	Very high	55 Å²	55	74.5 Å²	74.5	34%	0.337	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-123	26.3	176.3	60.8	0	0	0	0	110.9	P99 W100 D104 E105 S106	P99-T102 CarbonylContact O-C 3.53Å; P99-T102 PolarHBondContact O-N 3.35Å; W100-T102 VanDerWaalsContact C-N 3.26Å; W100-T102 PolarHBondContact O-N 3.34Å; T102-D104 VanDerWaalsContact C-N 3.33Å; T102-D104 PolarHBondContact O-N 3.12Å; T102-E105 PolarHBondContact O-N 2.93Å; T102-S106 PolarHBondContact O-N 3.27Å
103	G	88.9	Confident	92	Very high	26 Å²	26	81.5 Å²	81.5	27%	0.268	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-40.9	-171.3	0	0	0	0	0	112.1	P99 W100 S106	P99-G103 WeakPolarHBondContact O-CA 3.39Å; P99-G103 PolarHBondContact O-N 3.26Å; P99-G103 VanDerWaalsContact O-N 3.12Å; W100-G103 PolarHBondContact O-N 2.95Å; G103-S106 PolarHBondContact O-N 2.72Å; G103-S106 PolarHBondContact O-OG 3.2Å
104	D	87.6	Confident	91.9	Very high	85 Å²	85	82.8 Å²	82.8	46%	0.455	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-34.8	175.4	58.4	-52.2	0	0	0	112.7	T102 S106	T102-D104 VanDerWaalsContact C-N 3.33Å; T102-D104 PolarHBondContact O-N 3.12Å; D104-S106 VanDerWaalsContact C-N 3.34Å; D104-S106 PolarHBondContact O-N 3.38Å
105	E	90.6	Very high	91.8	Very high	123 Å²	123	79.5 Å²	79.5	58%	0.575	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-71.7	-28.5	177.9	-59.4	-178	163.6	0	0	112.7	T102 I107 V108	T102-E105 PolarHBondContact O-N 2.93Å; E105-I107 PolarHBondContact O-N 3.26Å; E105-V108 WeakPolarHBondContact O-CB 3.42Å; E105-V108 PolarHBondContact O-N 3.07Å; E105-V108 VanDerWaalsContact O-N 3.1Å
106	S	87.4	Confident	92	Very high	63 Å²	63	79.6 Å²	79.6	44%	0.441	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-61.7	-19.2	-170.6	72.3	0	0	0	0	115.1	T102 G103 D104	T102-S106 PolarHBondContact O-N 3.27Å; G103-S106 PolarHBondContact O-N 2.72Å; G103-S106 PolarHBondContact O-OG 3.2Å; D104-S106 VanDerWaalsContact C-N 3.34Å; D104-S106 PolarHBondContact O-N 3.38Å
107	I	89.8	Confident	92.3	Very high	77 Å²	77	78.6 Å²	78.6	40%	0.395	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-117.6	2.1	-179.2	53.3	156.1	0	0	0	113.2	E105 G109 L110 M111 L124	E105-I107 PolarHBondContact O-N 3.26Å; I107-G109 VanDerWaalsContact C-N 3.3Å; I107-G109 PolarHBondContact O-N 3.04Å; I107-L110 HydrophobicContact CB-CD1 4.35Å; I107-L110 HydrophobicContact CG2-CD1 4.16Å; I107-L110 WeakPolarHBondContact O-CB 3.47Å; I107-L110 PolarHBondContact O-N 3.5Å; I107-M111 PolarHBondContact O-N 3.36Å; I107-L124 HydrophobicContact CB-CD1 4.38Å; I107-L124 HydrophobicContact CD1-CD1 3.52Å; I107-L124 HydrophobicContact CG1-CD1 3.41Å; I107-L124 VanDerWaalsContact CG1-CD1 3.41Å
108	V	93.4	Very high	92.7	Very high	18 Å²	18	75.5 Å²	75.5	11%	0.109	43%	0.428	C	S	.	.	H	α-helix	trans	-57	-43.6	-179.9	166.6	0	0	0	0	111.7	E105 L110 M111 K112 E119 I122 L124	E105-V108 WeakPolarHBondContact O-CB 3.42Å; E105-V108 PolarHBondContact O-N 3.07Å; E105-V108 VanDerWaalsContact O-N 3.1Å; V108-L110 PolarHBondContact O-N 3.08Å; V108-M111 WeakPolarHBondContact O-CB 3.37Å; V108-M111 PolarHBondContact O-N 3.16Å; V108-K112 PolarHBondContact O-N 3.42Å; V108-E119 HydrophobicContact CG1-CB 3.93Å; V108-E119 HydrophobicContact CG1-CG 4.29Å; V108-E119 WeakPolarHBondContact CG1-O 3.3Å; V108-I122 HydrophobicContact CG1-CB 3.95Å; V108-I122 HydrophobicContact CG1-CG2 4.11Å; V108-L124 HydrophobicContact CG2-CD1 4.04Å; V108-L124 HydrophobicContact CG2-CG 4.44Å
109	G	92.4	Very high	92.7	Very high	35 Å²	35	77.8 Å²	77.8	36%	0.361	44%	0.441	S	S	.	.	H	α-helix	trans	-59.6	-31.2	178.2	0	0	0	0	0	113.8	I107 M111 E119	I107-G109 VanDerWaalsContact C-N 3.3Å; I107-G109 PolarHBondContact O-N 3.04Å; G109-M111 VanDerWaalsContact C-N 3.28Å; G109-M111 PolarHBondContact O-N 3.27Å; G109-E119 WeakPolarHBondContact CA-OE1 3.34Å
110	L	92.6	Very high	92.7	Very high	127 Å²	127	86.2 Å²	86.2	67%	0.665	47%	0.474	S	S	*	.	H	α-helix	trans	-73.1	-23.2	177	-58	177.7	0	0	0	112.5	I107 V108	I107-L110 HydrophobicContact CB-CD1 4.35Å; I107-L110 HydrophobicContact CG2-CD1 4.16Å; I107-L110 WeakPolarHBondContact O-CB 3.47Å; I107-L110 PolarHBondContact O-N 3.5Å; V108-L110 PolarHBondContact O-N 3.08Å
111	M	95.5	Very high	92.7	Very high	45 Å²	45	88.9 Å²	88.9	22%	0.222	49%	0.49	C	S	.	.	H	α-helix	trans	-86.7	-17.9	-176.8	-61.9	-55.8	-54.5	0	0	113	I107 V108 G109 D113 I114 V115 I122 L124	I107-M111 PolarHBondContact O-N 3.36Å; V108-M111 WeakPolarHBondContact O-CB 3.37Å; V108-M111 PolarHBondContact O-N 3.16Å; G109-M111 VanDerWaalsContact C-N 3.28Å; G109-M111 PolarHBondContact O-N 3.27Å; M111-D113 VanDerWaalsContact C-N 3.33Å; M111-D113 PolarHBondContact O-N 2.9Å; M111-I114 HydrophobicContact CE-CB 4.05Å; M111-I114 HydrophobicContact CE-CD1 3.84Å; M111-I114 HydrophobicContact CE-CG2 3.88Å; M111-I114 WeakPolarHBondContact O-CB 3.36Å; M111-I114 PolarHBondContact O-N 3.26Å; M111-I114 HydrophobicContact SD-CD1 3.8Å; M111-V115 HydrophobicContact CE-CG1 4.34Å; M111-V115 WeakPolarHBondContact O-CG2 3.35Å; M111-V115 PolarHBondContact O-N 3.44Å; M111-I122 HydrophobicContact CB-CD1 4.48Å; M111-I122 HydrophobicContact CB-CG2 4.28Å; M111-L124 HydrophobicContact CG-CD1 3.93Å; M111-L124 HydrophobicContact CG-CD2 4Å; M111-L124 HydrophobicContact CG-CG 4.45Å
112	K	94.3	Very high	92.7	Very high	87 Å²	87	84.6 Å²	84.6	38%	0.378	47%	0.468	S	S	.	.	H	α-helix	trans	-46.2	-53.4	179.9	177.3	178.9	-179.4	-175.7	0	112.8	V108 I114 G116 A117 E119 I122	V108-K112 PolarHBondContact O-N 3.42Å; K112-I114 VanDerWaalsContact C-N 3.33Å; K112-G116 VanDerWaalsContact O-CA 3.3Å; K112-G116 WeakPolarHBondContact O-CA 3.26Å; K112-G116 PolarHBondContact O-N 2.93Å; K112-A117 WeakPolarHBondContact CG-O 3.27Å; K112-A117 PolarHBondContact O-N 2.9Å; K112-E119 HydrophobicContact CB-CG 4.47Å; K112-E119 HydrophobicContact CD-CG 4.41Å; K112-I122 HydrophobicContact CB-CD1 4.41Å
113	D	92.6	Very high	92.8	Very high	147 Å²	147	85.4 Å²	85.4	79%	0.786	48%	0.481	S	S	*	.	H	α-helix	trans	-76.5	-23.3	-176.2	-63.1	-29	0	0	0	112.4	M111	M111-D113 VanDerWaalsContact C-N 3.33Å; M111-D113 PolarHBondContact O-N 2.9Å
114	I	94.3	Very high	92.9	Very high	125 Å²	125	86.6 Å²	86.6	64%	0.641	48%	0.481	S	S	*	.	H	α-helix	trans	-74.1	-45.4	177.7	-65	172	0	0	0	110.5	M111 K112	M111-I114 HydrophobicContact CE-CB 4.05Å; M111-I114 HydrophobicContact CE-CD1 3.84Å; M111-I114 HydrophobicContact CE-CG2 3.88Å; M111-I114 WeakPolarHBondContact O-CB 3.36Å; M111-I114 PolarHBondContact O-N 3.26Å; M111-I114 HydrophobicContact SD-CD1 3.8Å; K112-I114 VanDerWaalsContact C-N 3.33Å
115	V	93.5	Very high	93	Very high	83 Å²	83	88 Å²	88	50%	0.503	49%	0.486	S	S	.	.	H	α-helix	trans	-97.6	-12.4	-175.8	-51.6	0	0	0	0	113.4	M111 A117 I122	M111-V115 HydrophobicContact CE-CG1 4.34Å; M111-V115 WeakPolarHBondContact O-CG2 3.35Å; M111-V115 PolarHBondContact O-N 3.44Å; V115-A117 HydrophobicContact CG2-CB 3.98Å; V115-I122 HydrophobicContact CG2-CD1 3.5Å; V115-I122 HydrophobicContact CG2-CG1 3.78Å
116	G	94.3	Very high	93.1	Very high	72 Å²	72	86.9 Å²	86.9	74%	0.742	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	29.1	177.5	0	0	0	0	0	114.8	K112	K112-G116 VanDerWaalsContact O-CA 3.3Å; K112-G116 WeakPolarHBondContact O-CA 3.26Å; K112-G116 PolarHBondContact O-N 2.93Å
117	A	95.3	Very high	93.4	Very high	29 Å²	29	87.2 Å²	87.2	24%	0.24	49%	0.491	C	S	.	.	S	Bend	trans	-122.1	161.9	-177.9	0	0	0	0	0	111.8	K112 V115 E121 I122	K112-A117 WeakPolarHBondContact CG-O 3.27Å; K112-A117 PolarHBondContact O-N 2.9Å; V115-A117 HydrophobicContact CG2-CB 3.98Å; A117-E121 HydrophobicContact CB-CB 4.3Å; A117-I122 HydrophobicContact CB-CD1 4.34Å; A117-I122 HydrophobicContact CB-CG1 4.03Å
118	N	95.3	Very high	93.6	Very high	99 Å²	99	88.8 Å²	88.8	53%	0.529	50%	0.499	S	S	.	.			trans	-68.2	150.4	173.1	-62.8	-74.1	0	0	0	110.5	K120 E121 I122	N118-K120 PolarHBondContact O-N 3.38Å; N118-K120 VanDerWaalsContact O-N 3.1Å; N118-E121 HydrophobicContact CB-CG 4.18Å; N118-E121 VanDerWaalsContact CB-OE2 3.26Å; N118-E121 WeakPolarHBondContact CB-OE2 3.13Å; N118-E121 PolarHBondContact N-OE2 2.79Å; N118-E121 PolarHBondContact ND2-OE2 2.98Å; N118-E121 WeakPolarHBondContact O-CA 3.47Å; N118-E121 WeakPolarHBondContact O-CB 3.26Å; N118-E121 PolarHBondContact O-N 2.92Å; N118-I122 WeakPolarHBondContact O-CG1 3.33Å; N118-I122 PolarHBondContact O-N 3.45Å
119	E	93.7	Very high	93.6	Very high	106 Å²	106	89.8 Å²	89.8	50%	0.495	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-54	-36.6	179.5	-69.1	178.9	-171.4	0	0	113	V108 G109 K112 E121 I122	V108-E119 HydrophobicContact CG1-CB 3.93Å; V108-E119 HydrophobicContact CG1-CG 4.29Å; V108-E119 WeakPolarHBondContact CG1-O 3.3Å; G109-E119 WeakPolarHBondContact CA-OE1 3.34Å; K112-E119 HydrophobicContact CB-CG 4.47Å; K112-E119 HydrophobicContact CD-CG 4.41Å; E119-E121 PolarHBondContact O-N 3.3Å; E119-I122 PolarHBondContact O-N 3.34Å
120	K	94.5	Very high	93.8	Very high	211 Å²	211	91.3 Å²	91.3	92%	0.917	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-69.7	-10.3	177.6	-63.2	-177.4	179.3	-179.9	0	114.3	N118	N118-K120 PolarHBondContact O-N 3.38Å; N118-K120 VanDerWaalsContact O-N 3.1Å
121	E	94.2	Very high	94	Very high	136 Å²	136	87.5 Å²	87.5	64%	0.636	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-104.1	1.3	178.6	-59.1	173	133.6	0	0	111.4	A117 N118 E119	A117-E121 HydrophobicContact CB-CB 4.3Å; N118-E121 HydrophobicContact CB-CG 4.18Å; N118-E121 VanDerWaalsContact CB-OE2 3.26Å; N118-E121 WeakPolarHBondContact CB-OE2 3.13Å; N118-E121 PolarHBondContact N-OE2 2.79Å; N118-E121 PolarHBondContact ND2-OE2 2.98Å; N118-E121 WeakPolarHBondContact O-CA 3.47Å; N118-E121 WeakPolarHBondContact O-CB 3.26Å; N118-E121 PolarHBondContact O-N 2.92Å; E119-E121 PolarHBondContact O-N 3.3Å
122	I	94.9	Very high	93.9	Very high	27 Å²	27	86.5 Å²	86.5	14%	0.138	48%	0.483	C	S	.	.			trans	-109.8	125	-177	-61	170.7	0	0	0	108.9	V108 M111 K112 V115 A117 N118 E119 L124	V108-I122 HydrophobicContact CG1-CB 3.95Å; V108-I122 HydrophobicContact CG1-CG2 4.11Å; M111-I122 HydrophobicContact CB-CD1 4.48Å; M111-I122 HydrophobicContact CB-CG2 4.28Å; K112-I122 HydrophobicContact CB-CD1 4.41Å; V115-I122 HydrophobicContact CG2-CD1 3.5Å; V115-I122 HydrophobicContact CG2-CG1 3.78Å; A117-I122 HydrophobicContact CB-CD1 4.34Å; A117-I122 HydrophobicContact CB-CG1 4.03Å; N118-I122 WeakPolarHBondContact O-CG1 3.33Å; N118-I122 PolarHBondContact O-N 3.45Å; E119-I122 PolarHBondContact O-N 3.34Å; I122-L124 HydrophobicContact CG2-CG 4.46Å
123	A	92.9	Very high	94	Very high	73 Å²	73	85.2 Å²	85.2	60%	0.603	48%	0.478	S	S	*	.			trans	-123.1	125.4	168.6	0	0	0	0	0	108.8	M125	A123-M125 HydrophobicContact CB-CG 4.15Å; A123-M125 HydrophobicContact CB-SD 4.21Å
124	L	92.6	Very high	94.1	Very high	50 Å²	50	81.3 Å²	81.3	26%	0.262	46%	0.457	S	S	.	.			trans	-95.1	119.7	175.7	-69.4	167	0	0	0	108.9	I107 V108 M111 I122	I107-L124 HydrophobicContact CB-CD1 4.38Å; I107-L124 HydrophobicContact CD1-CD1 3.52Å; I107-L124 HydrophobicContact CG1-CD1 3.41Å; I107-L124 VanDerWaalsContact CG1-CD1 3.41Å; V108-L124 HydrophobicContact CG2-CD1 4.04Å; V108-L124 HydrophobicContact CG2-CG 4.44Å; M111-L124 HydrophobicContact CG-CD1 3.93Å; M111-L124 HydrophobicContact CG-CD2 4Å; M111-L124 HydrophobicContact CG-CG 4.45Å; I122-L124 HydrophobicContact CG2-CG 4.46Å
125	M	89.8	Confident	94.1	Very high	116 Å²	116	79.9 Å²	79.9	57%	0.571	45%	0.45	S	S	*	.			trans	-134.1	-134.9	-166.9	-60.2	-177.2	72.9	0	0	110.4	A123 N131 L134	A123-M125 HydrophobicContact CB-CG 4.15Å; A123-M125 HydrophobicContact CB-SD 4.21Å; M125-N131 VanDerWaalsContact CB-OD1 3.29Å; M125-N131 WeakPolarHBondContact CB-OD1 3.34Å; M125-L134 HydrophobicContact CE-CD1 3.83Å
126	N	92.6	Very high	94.2	Very high	98 Å²	98	76.1 Å²	76.1	52%	0.524	43%	0.427	S	S	.	.	S	Bend	trans	-82.2	-163.3	-177.9	-59.6	-78.3	0	0	0	110.7	V130 N131	N126-V130 HydrophobicContact CB-CB 3.61Å; N126-V130 HydrophobicContact CB-CG1 3.53Å; N126-V130 HydrophobicContact CB-CG2 4.25Å; N126-N131 WeakPolarHBondContact CB-OD1 3.45Å; N126-N131 PolarHBondContact N-OD1 3.17Å; N126-N131 PolarHBondContact O-ND2 3.41Å
127	A	93.4	Very high	94.2	Very high	71 Å²	71	77 Å²	77	59%	0.587	41%	0.414	S	S	*	.			trans	-67.3	161.4	168.5	0	0	0	0	0	112.6	T129 V130 N131	A127-T129 PolarHBondContact O-N 3.01Å; A127-V130 PolarHBondContact O-N 3.36Å; A127-V130 VanDerWaalsContact O-N 3.1Å; A127-N131 PolarHBondContact O-N 3.4Å
128	L	92.8	Very high	94.2	Very high	109 Å²	109	78.6 Å²	78.6	57%	0.571	42%	0.424	S	S	*	.	H	α-helix	trans	-43.9	-57	-178	174.5	62.4	0	0	0	113.3	V130 N131 L132	L128-V130 VanDerWaalsContact C-N 3.33Å; L128-V130 PolarHBondContact O-N 3.39Å; L128-N131 PolarHBondContact O-N 2.96Å; L128-N131 VanDerWaalsContact O-N 3.13Å; L128-L132 HydrophobicContact CD1-CD1 4.11Å; L128-L132 HydrophobicContact CD1-CG 4.1Å; L128-L132 HydrophobicContact CG-CD1 4.16Å; L128-L132 PolarHBondContact O-N 3.31Å
129	T	95.1	Very high	94.2	Very high	40 Å²	40	81.3 Å²	81.3	25%	0.245	43%	0.432	C	S	.	.	H	α-helix	trans	-62.3	-38.4	-175.7	-59.6	0	0	0	0	112.8	A127 L132 H133 S158 A162	A127-T129 PolarHBondContact O-N 3.01Å; T129-L132 PolarHBondContact O-N 3.23Å; T129-H133 WeakPolarHBondContact O-CB 3.34Å; T129-H133 PolarHBondContact O-N 3.35Å; T129-S158 WeakPolarHBondContact CG2-O 3.31Å; T129-S158 VanDerWaalsContact OG1-CB 3.28Å; T129-S158 WeakPolarHBondContact OG1-CB 3.43Å; T129-S158 PolarHBondContact OG1-OG 2.87Å; T129-A162 HydrophobicContact CG2-CB 4.12Å
130	V	96.2	Very high	94.3	Very high	66 Å²	66	76.4 Å²	76.4	40%	0.4	41%	0.409	S	S	.	.	H	α-helix	trans	-65.1	-44.1	176.1	176.8	0	0	0	0	109.8	N126 A127 L128 L132 H133 L134	N126-V130 HydrophobicContact CB-CB 3.61Å; N126-V130 HydrophobicContact CB-CG1 3.53Å; N126-V130 HydrophobicContact CB-CG2 4.25Å; A127-V130 PolarHBondContact O-N 3.36Å; A127-V130 VanDerWaalsContact O-N 3.1Å; L128-V130 VanDerWaalsContact C-N 3.33Å; L128-V130 PolarHBondContact O-N 3.39Å; V130-L132 PolarHBondContact O-N 2.58Å; V130-H133 PolarHBondContact O-N 3.45Å; V130-L134 HydrophobicContact CG1-CD1 4.11Å; V130-L134 HydrophobicContact CG1-CG 4.45Å; V130-L134 WeakPolarHBondContact O-CG 3.42Å; V130-L134 PolarHBondContact O-N 3.05Å
131	N	95.3	Very high	94.4	Very high	48 Å²	48	73.9 Å²	73.9	26%	0.257	40%	0.398	S	S	.	.	H	α-helix	trans	-65.3	-39.9	179.1	-61.5	-15.6	0	0	0	111.6	M125 N126 A127 L128 H133 L134 L135	M125-N131 VanDerWaalsContact CB-OD1 3.29Å; M125-N131 WeakPolarHBondContact CB-OD1 3.34Å; N126-N131 WeakPolarHBondContact CB-OD1 3.45Å; N126-N131 PolarHBondContact N-OD1 3.17Å; N126-N131 PolarHBondContact O-ND2 3.41Å; A127-N131 PolarHBondContact O-N 3.4Å; L128-N131 PolarHBondContact O-N 2.96Å; L128-N131 VanDerWaalsContact O-N 3.13Å; N131-H133 VanDerWaalsContact C-N 3.33Å; N131-H133 PolarHBondContact O-N 3.16Å; N131-L134 PolarHBondContact O-N 3.14Å; N131-L135 VanDerWaalsContact O-CB 3.28Å; N131-L135 WeakPolarHBondContact O-CB 3.28Å; N131-L135 PolarHBondContact O-N 2.9Å
132	L	95.1	Very high	94.5	Very high	23 Å²	23	68.9 Å²	68.9	12%	0.12	38%	0.377	C	S	.	.	H	α-helix	trans	-60.7	-42.9	173	-75	178	0	0	0	111.9	L128 T129 V130 L135 M136 D159 L210	L128-L132 HydrophobicContact CD1-CD1 4.11Å; L128-L132 HydrophobicContact CD1-CG 4.1Å; L128-L132 HydrophobicContact CG-CD1 4.16Å; L128-L132 PolarHBondContact O-N 3.31Å; T129-L132 PolarHBondContact O-N 3.23Å; V130-L132 PolarHBondContact O-N 2.58Å; L132-L135 PolarHBondContact O-N 3.14Å; L132-M136 HydrophobicContact CB-CE 4.44Å; L132-M136 WeakPolarHBondContact O-CG 3.45Å; L132-M136 PolarHBondContact O-N 3.32Å; L132-D159 HydrophobicContact CD1-CB 4.35Å; L132-D159 VanDerWaalsContact CD1-OD1 3.31Å; L132-D159 WeakPolarHBondContact CD1-OD1 3.13Å; L132-L210 HydrophobicContact CD1-CD2 4.5Å; L132-L210 HydrophobicContact CD2-CD1 3.9Å
133	H	94.6	Very high	94.6	Very high	60 Å²	60	70.9 Å²	70.9	28%	0.278	39%	0.391	S	S	.	.	H	α-helix	trans	-65.3	-42.2	178.9	-161.1	76.4	0	0	0	111.8	T129 V130 N131 M136 L137 S165 Q166	T129-H133 WeakPolarHBondContact O-CB 3.34Å; T129-H133 PolarHBondContact O-N 3.35Å; V130-H133 PolarHBondContact O-N 3.45Å; N131-H133 VanDerWaalsContact C-N 3.33Å; N131-H133 PolarHBondContact O-N 3.16Å; H133-M136 PolarHBondContact O-N 2.82Å; H133-L137 VanDerWaalsContact O-CB 3.3Å; H133-L137 WeakPolarHBondContact O-CB 3.33Å; H133-L137 PolarHBondContact O-N 3.29Å; H133-S165 PolarHBondContact CE1-OG 3.09Å; H133-S165 PolarHBondContact ND1-OG 2.83Å; H133-Q166 PolarHBondContact CD2-NE2 3.09Å; H133-Q166 PolarHBondContact CE1-NE2 3.17Å; H133-Q166 PolarHBondContact ND1-NE2 2.92Å; H133-Q166 PolarHBondContact NE2-NE2 3.47Å; H133-Q166 VanDerWaalsContact NE2-NE2 3.16Å; H133-Q166 PolarHBondContact O-NE2 2.84Å
134	L	95.1	Very high	94.8	Very high	66 Å²	66	73.8 Å²	73.8	35%	0.346	40%	0.403	S	S	.	.	H	α-helix	trans	-66.1	-38.2	175.1	-67.8	173.6	0	0	0	112.6	M125 V130 N131 S138	M125-L134 HydrophobicContact CE-CD1 3.83Å; V130-L134 HydrophobicContact CG1-CD1 4.11Å; V130-L134 HydrophobicContact CG1-CG 4.45Å; V130-L134 WeakPolarHBondContact O-CG 3.42Å; V130-L134 PolarHBondContact O-N 3.05Å; N131-L134 PolarHBondContact O-N 3.14Å; L134-S138 WeakPolarHBondContact O-CB 3.38Å; L134-S138 PolarHBondContact O-N 3.1Å; L134-S138 VanDerWaalsContact O-N 3.12Å; L134-S138 PolarHBondContact O-OG 3.42Å
135	L	94.8	Very high	95	Very high	94 Å²	94	79.9 Å²	79.9	49%	0.492	43%	0.427	S	S	.	.	H	α-helix	trans	-62.9	-50.6	175.8	-172.3	107.8	0	0	0	110.3	N131 L132 S138 F139	N131-L135 VanDerWaalsContact O-CB 3.28Å; N131-L135 WeakPolarHBondContact O-CB 3.28Å; N131-L135 PolarHBondContact O-N 2.9Å; L132-L135 PolarHBondContact O-N 3.14Å; L135-S138 PolarHBondContact O-N 3.07Å; L135-F139 HydrophobicContact CD1-CD2 4.25Å; L135-F139 HydrophobicContact CD1-CE2 4.39Å; L135-F139 HydrophobicContact CG-CD2 4.03Å; L135-F139 WeakPolarHBondContact O-CB 3.44Å; L135-F139 VanDerWaalsContact O-CD2 3.26Å; L135-F139 WeakPolarHBondContact O-CD2 3.33Å; L135-F139 PolarHBondContact O-N 2.75Å
136	M	96.1	Very high	95.3	Very high	4 Å²	4	77.3 Å²	77.3	2%	0.02	41%	0.411	C	S	.	.	H	α-helix	trans	-62.9	-43.9	177.4	-72.6	-173	-73.3	0	0	111.5	L132 H133 S138 F139 F140 I149 A162 I163 Q166	L132-M136 HydrophobicContact CB-CE 4.44Å; L132-M136 WeakPolarHBondContact O-CG 3.45Å; L132-M136 PolarHBondContact O-N 3.32Å; H133-M136 PolarHBondContact O-N 2.82Å; M136-S138 PolarHBondContact O-N 3.45Å; M136-S138 VanDerWaalsContact O-N 3.1Å; M136-F139 PolarHBondContact O-N 3.26Å; M136-F140 HydrophobicContact CB-CB 4.23Å; M136-F140 WeakPolarHBondContact O-CA 3.49Å; M136-F140 WeakPolarHBondContact O-CB 3.44Å; M136-F140 PolarHBondContact O-N 2.94Å; M136-I149 HydrophobicContact SD-CD1 4.21Å; M136-A162 HydrophobicContact CE-CB 3.86Å; M136-I163 HydrophobicContact CE-CG1 4.15Å; M136-I163 HydrophobicContact SD-CG1 3.98Å; M136-Q166 HydrophobicContact CB-CG 3.72Å; M136-Q166 HydrophobicContact CE-CG 3.99Å; M136-Q166 HydrophobicContact SD-CG 4.23Å
137	L	94.6	Very high	95.6	Very high	90 Å²	90	75.3 Å²	75.3	47%	0.471	40%	0.397	S	S	.	.	H	α-helix	trans	-54.7	-35.3	175.9	-175.8	65	0	0	0	112.7	H133 L169	H133-L137 VanDerWaalsContact O-CB 3.3Å; H133-L137 WeakPolarHBondContact O-CB 3.33Å; H133-L137 PolarHBondContact O-N 3.29Å; L137-L169 HydrophobicContact CD1-CD2 3.56Å
138	S	94.4	Very high	95.8	Very high	64 Å²	64	73.7 Å²	73.7	45%	0.448	38%	0.377	S	S	.	.	H	α-helix	trans	-84.3	-37	-177.8	-57.3	0	0	0	0	113.3	L134 L135 M136 K141	L134-S138 WeakPolarHBondContact O-CB 3.38Å; L134-S138 PolarHBondContact O-N 3.1Å; L134-S138 VanDerWaalsContact O-N 3.12Å; L134-S138 PolarHBondContact O-OG 3.42Å; L135-S138 PolarHBondContact O-N 3.07Å; M136-S138 PolarHBondContact O-N 3.45Å; M136-S138 VanDerWaalsContact O-N 3.1Å; S138-K141 WeakPolarHBondContact O-CE 3.41Å
139	F	94.8	Very high	96.1	Very high	156 Å²	156	68.5 Å²	68.5	68%	0.684	35%	0.349	S	S	*	.	H	α-helix	trans	-117.7	-22.1	-166.3	-63.1	-72.6	0	0	0	115	L135 M136 K141	L135-F139 HydrophobicContact CD1-CD2 4.25Å; L135-F139 HydrophobicContact CD1-CE2 4.39Å; L135-F139 HydrophobicContact CG-CD2 4.03Å; L135-F139 WeakPolarHBondContact O-CB 3.44Å; L135-F139 VanDerWaalsContact O-CD2 3.26Å; L135-F139 WeakPolarHBondContact O-CD2 3.33Å; L135-F139 PolarHBondContact O-N 2.75Å; M136-F139 PolarHBondContact O-N 3.26Å; F139-K141 PolarHBondContact O-N 3.42Å; F139-K141 VanDerWaalsContact O-N 3.13Å
140	F	97	Very high	96.3	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.009	34%	0.338	C	S	.	.			trans	-76.8	100	171.5	176.7	-123.7	0	0	0	109.2	M136 P142 Y147 I149 Q166 L167 H170 L172 A207 V208	M136-F140 HydrophobicContact CB-CB 4.23Å; M136-F140 WeakPolarHBondContact O-CA 3.49Å; M136-F140 WeakPolarHBondContact O-CB 3.44Å; M136-F140 PolarHBondContact O-N 2.94Å; F140-P142 VanDerWaalsContact C-CD 3.49Å; F140-P142 HydrophobicContact CD1-CG 4.38Å; F140-P142 HydrophobicContact CE1-CB 4.28Å; F140-P142 HydrophobicContact CE1-CG 3.85Å; F140-P142 HydrophobicContact CE2-CB 3.97Å; F140-P142 HydrophobicContact CE2-CG 4.33Å; F140-P142 HydrophobicContact CZ-CB 3.73Å; F140-P142 HydrophobicContact CZ-CG 3.84Å; F140-P142 VanDerWaalsContact O-CD 3.26Å; F140-P142 WeakPolarHBondContact O-CD 3.5Å; F140-Y147 WeakPolarHBondContact CE2-O 3.43Å; F140-Y147 WeakPolarHBondContact CZ-O 3.41Å; F140-I149 HydrophobicContact CD1-CD1 4.16Å; F140-I149 HydrophobicContact CD2-CD1 4.13Å; F140-I149 HydrophobicContact CD2-CG1 4.17Å; F140-I149 HydrophobicContact CE1-CD1 3.98Å; F140-I149 HydrophobicContact CE2-CD1 3.94Å; F140-I149 HydrophobicContact CE2-CG1 3.73Å; F140-I149 HydrophobicContact CG-CD1 4.22Å; F140-I149 HydrophobicContact CZ-CD1 3.86Å; F140-I149 HydrophobicContact CZ-CG1 3.96Å; F140-Q166 HydrophobicContact CD1-CB 4.5Å; F140-L167 HydrophobicContact CE1-CD2 4.06Å; F140-L167 HydrophobicContact CZ-CD2 3.82Å; F140-H170 AromaticContact CD1-CD2 3.64Å; F140-H170 AromaticContact CD1-NE2 3.87Å; F140-H170 AromaticContact CE1-CD2 3.69Å; F140-L172 HydrophobicContact CE1-CD1 4.25Å; F140-L172 HydrophobicContact CZ-CD1 3.88Å; F140-A207 HydrophobicContact CD2-CB 3.92Å; F140-A207 HydrophobicContact CE2-CB 3.77Å; F140-V208 HydrophobicContact CB-CG2 4.18Å; F140-V208 HydrophobicContact CD2-CG2 3.78Å; F140-V208 HydrophobicContact CG-CG2 4.38Å
141	K	96	Very high	96.3	Very high	159 Å²	159	63.5 Å²	63.5	69%	0.691	32%	0.319	S	S	*	.			trans	-115.5	76.7	-179.9	-66.3	179	-179.3	175.4	0	109.2	S138 F139	S138-K141 WeakPolarHBondContact O-CE 3.41Å; F139-K141 PolarHBondContact O-N 3.42Å; F139-K141 VanDerWaalsContact O-N 3.13Å
142	P	97.3	Very high	96.4	Very high	31 Å²	31	61.5 Å²	61.5	20%	0.201	31%	0.308	C	S	.	.			trans	-62.8	146.8	-175.2	25.8	-33.8	0	0	0	111.5	F140 R146 H170 L172	F140-P142 VanDerWaalsContact C-CD 3.49Å; F140-P142 HydrophobicContact CD1-CG 4.38Å; F140-P142 HydrophobicContact CE1-CB 4.28Å; F140-P142 HydrophobicContact CE1-CG 3.85Å; F140-P142 HydrophobicContact CE2-CB 3.97Å; F140-P142 HydrophobicContact CE2-CG 4.33Å; F140-P142 HydrophobicContact CZ-CB 3.73Å; F140-P142 HydrophobicContact CZ-CG 3.84Å; F140-P142 VanDerWaalsContact O-CD 3.26Å; F140-P142 WeakPolarHBondContact O-CD 3.5Å; P142-R146 WeakPolarHBondContact CA-O 3.32Å; P142-H170 HydrophobicContact CG-CB 3.89Å; P142-L172 HydrophobicContact CB-CD1 3.9Å; P142-L172 HydrophobicContact CG-CD1 4.06Å
143	T	97	Very high	96.3	Very high	69 Å²	69	61 Å²	61	42%	0.423	31%	0.307	S	S	.	.			trans	-123.8	165.7	173.7	68.5	0	0	0	0	109.4	K145 R146 Y147	T143-K145 PolarHBondContact O-N 3.04Å; T143-R146 PolarHBondContact N-O 2.98Å; T143-R146 CarbonylContact O-C 3.46Å; T143-R146 PolarHBondContact O-N 3.48Å; T143-R146 VanDerWaalsContact O-N 3.16Å; T143-R146 WeakPolarHBondContact OG1-CB 3.43Å; T143-R146 PolarHBondContact OG1-N 3.47Å; T143-R146 PolarHBondContact OG1-O 3.48Å; T143-Y147 WeakPolarHBondContact O-CB 3.26Å
144	P	96.2	Very high	96.1	Very high	133 Å²	133	65.6 Å²	65.6	86%	0.864	33%	0.327	S	S	*	.	S	Bend	trans	-56.2	-25.1	178	-27.7	36	0	0	0	114.7
145	K	96.2	Very high	95.9	Very high	178 Å²	178	62.9 Å²	62.9	77%	0.774	31%	0.314	S	S	*	.	S	Bend	trans	-96.6	-32.3	178.2	-67	-171.7	178.5	-176.2	0	113.4	T143 S205	T143-K145 PolarHBondContact O-N 3.04Å; K145-S205 VanDerWaalsContact O-CA 3.29Å; K145-S205 WeakPolarHBondContact O-CA 3.38Å
146	R	97.5	Very high	95.8	Very high	62 Å²	62	62.8 Å²	62.8	23%	0.234	31%	0.309	C	S	.	.	S	Bend	trans	-130.5	93.7	-170.2	-168	174.9	-171.4	143	9.3	109.9	P142 T143 D204 S205 I206 A207 K234	P142-R146 WeakPolarHBondContact CA-O 3.32Å; T143-R146 PolarHBondContact N-O 2.98Å; T143-R146 CarbonylContact O-C 3.46Å; T143-R146 PolarHBondContact O-N 3.48Å; T143-R146 VanDerWaalsContact O-N 3.16Å; T143-R146 WeakPolarHBondContact OG1-CB 3.43Å; T143-R146 PolarHBondContact OG1-N 3.47Å; T143-R146 PolarHBondContact OG1-O 3.48Å; R146-D204 WeakPolarHBondContact CB-O 3.45Å; R146-D204 WeakPolarHBondContact CG-O 3.35Å; R146-S205 CarbonylContact C-O 3.54Å; R146-S205 WeakPolarHBondContact CA-O 3.3Å; R146-I206 VanDerWaalsContact CZ-O 3.29Å; R146-I206 PolarHBondContact NE-O 3.2Å; R146-I206 PolarHBondContact NH2-O 2.95Å; R146-A207 HydrophobicContact CG-CB 4.09Å; R146-K234 PolarHBondContact NH1-O 3.31Å
147	Y	98.1	Very high	95.6	Very high	56 Å²	56	65.9 Å²	65.9	22%	0.22	33%	0.33	C	S	.	.			trans	-141.2	-8	-170.8	61.8	-89.4	0	0	0	113.9	F140 T143 L172 S177 S205	F140-Y147 WeakPolarHBondContact CE2-O 3.43Å; F140-Y147 WeakPolarHBondContact CZ-O 3.41Å; T143-Y147 WeakPolarHBondContact O-CB 3.26Å; Y147-L172 HydrophobicContact CD2-CD1 4.49Å; Y147-L172 HydrophobicContact CD2-CD2 4.26Å; Y147-L172 HydrophobicContact CG-CD2 4.41Å; Y147-S177 VanDerWaalsContact CD2-OG 3.29Å; Y147-S177 WeakPolarHBondContact CD2-OG 3.04Å; Y147-S177 WeakPolarHBondContact CE2-OG 3.37Å; Y147-S205 PolarHBondContact N-O 3.09Å
148	K	98.5	Very high	95.6	Very high	37 Å²	37	63.2 Å²	63.2	16%	0.161	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	150	-177.4	-58	-175.5	179.3	169.1	0	111.8	S177 R179 E202 S205 I206 A207 V208	K148-S177 CarbonylContact C-O 3.58Å; K148-S177 WeakPolarHBondContact CA-O 3.36Å; K148-S177 WeakPolarHBondContact CB-O 3.45Å; K148-R179 HydrophobicContact CD-CB 4.42Å; K148-E202 IonicContact NZ-OE2 3.94Å; K148-E202 PolarHBondContact NZ-OE2 3.02Å; K148-S205 WeakPolarHBondContact CB-O 3.39Å; K148-S205 WeakPolarHBondContact CD-OG 3.35Å; K148-S205 PolarHBondContact N-O 3.41Å; K148-I206 HydrophobicContact CB-CG1 4.2Å; K148-I206 CarbonylContact O-C 3.59Å; K148-A207 PolarHBondContact O-N 3.5Å; K148-V208 PolarHBondContact O-N 3.01Å
149	I	98.4	Very high	95.7	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120	168	-57.9	-179.1	0	0	0	107.7	M136 F140 I163 L167 S177 R179 V208 L210	M136-I149 HydrophobicContact SD-CD1 4.21Å; F140-I149 HydrophobicContact CD1-CD1 4.16Å; F140-I149 HydrophobicContact CD2-CD1 4.13Å; F140-I149 HydrophobicContact CD2-CG1 4.17Å; F140-I149 HydrophobicContact CE1-CD1 3.98Å; F140-I149 HydrophobicContact CE2-CD1 3.94Å; F140-I149 HydrophobicContact CE2-CG1 3.73Å; F140-I149 HydrophobicContact CG-CD1 4.22Å; F140-I149 HydrophobicContact CZ-CD1 3.86Å; F140-I149 HydrophobicContact CZ-CG1 3.96Å; I149-I163 HydrophobicContact CB-CG2 4.15Å; I149-I163 HydrophobicContact CD1-CG2 4.02Å; I149-I163 HydrophobicContact CG2-CD1 3.89Å; I149-I163 HydrophobicContact CG2-CG1 4.12Å; I149-I163 HydrophobicContact CG2-CG2 4.15Å; I149-L167 HydrophobicContact CD1-CD2 4.08Å; I149-L167 HydrophobicContact CD1-CG 4.43Å; I149-L167 HydrophobicContact CG1-CD2 4.28Å; I149-S177 PolarHBondContact N-O 3.1Å; I149-R179 PolarHBondContact O-N 2.76Å; I149-V208 CarbonylContact C-O 3.6Å; I149-V208 WeakPolarHBondContact CA-O 3.36Å; I149-V208 HydrophobicContact CG1-CB 4.21Å; I149-V208 HydrophobicContact CG2-CB 4.25Å; I149-V208 HydrophobicContact CG2-CG1 4.24Å; I149-L210 HydrophobicContact CG2-CB 4.49Å
150	L	98.4	Very high	95.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	130.5	178.8	-178.4	70.1	0	0	0	110.2	R179 I181 V198 I199 I206 V208 I209 L210 F211	L150-R179 WeakPolarHBondContact CA-O 3.43Å; L150-R179 HydrophobicContact CD1-CB 4.13Å; L150-R179 HydrophobicContact CD1-CG 3.63Å; L150-R179 WeakPolarHBondContact CD1-O 3.38Å; L150-I181 HydrophobicContact CD1-CD1 3.59Å; L150-I181 HydrophobicContact CD1-CG1 3.72Å; L150-I181 HydrophobicContact CD2-CD1 4.21Å; L150-I181 HydrophobicContact CG-CD1 4.18Å; L150-V198 HydrophobicContact CD1-CG1 3.65Å; L150-V198 HydrophobicContact CD2-CG1 4.44Å; L150-I199 HydrophobicContact CD2-CD1 4.23Å; L150-I199 HydrophobicContact CD2-CG1 3.6Å; L150-I206 HydrophobicContact CB-CD1 4.15Å; L150-I206 HydrophobicContact CB-CG1 4.46Å; L150-I206 HydrophobicContact CB-CG2 3.82Å; L150-I206 HydrophobicContact CD1-CD1 4.41Å; L150-I206 HydrophobicContact CD2-CD1 4.15Å; L150-I206 HydrophobicContact CG-CD1 4.46Å; L150-V208 PolarHBondContact N-O 3.3Å; L150-I209 HydrophobicContact CB-CG1 4.18Å; L150-I209 HydrophobicContact CD2-CD1 4.48Å; L150-I209 HydrophobicContact CD2-CG1 4.11Å; L150-I209 HydrophobicContact CD2-CG2 4.13Å; L150-L210 PolarHBondContact O-N 2.94Å; L150-F211 HydrophobicContact CD2-CE2 4.27Å; L150-F211 HydrophobicContact CG-CE2 4.05Å
151	L	97.8	Very high	95.6	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	167.5	178.8	72.5	161.9	0	0	0	112.7	A155 I163 M178 R179 M180 I181 L210	L151-A155 HydrophobicContact CD1-CB 4.09Å; L151-I163 HydrophobicContact CB-CD1 4.31Å; L151-I163 HydrophobicContact CD1-CD1 3.74Å; L151-I163 HydrophobicContact CD2-CD1 4.46Å; L151-I163 HydrophobicContact CG-CD1 4.38Å; L151-M178 HydrophobicContact CD1-CE 3.48Å; L151-M178 VanDerWaalsContact CD1-CE 3.48Å; L151-M178 HydrophobicContact CD2-CE 4.08Å; L151-M178 HydrophobicContact CD2-CG 3.71Å; L151-M178 HydrophobicContact CG-CE 4.45Å; L151-R179 PolarHBondContact N-O 3.1Å; L151-M180 HydrophobicContact CD1-CG 4.19Å; L151-M180 HydrophobicContact CD2-CB 4.43Å; L151-M180 HydrophobicContact CD2-CG 3.55Å; L151-M180 HydrophobicContact CG-CG 3.8Å; L151-M180 CarbonylContact O-C 3.55Å; L151-M180 WeakPolarHBondContact O-CA 3.37Å; L151-I181 PolarHBondContact O-N 2.89Å; L151-L210 WeakPolarHBondContact CA-O 3.48Å; L151-L210 VanDerWaalsContact CB-O 3.3Å; L151-L210 WeakPolarHBondContact CB-O 3.32Å
152	E	96.4	Very high	95.6	Very high	5 Å²	5	55.4 Å²	55.4	2%	0.023	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	143.3	165.6	70.6	-85.3	-150.1	0	0	112.1	A155 L190 F211 S212 F222	E152-A155 HydrophobicContact CG-CB 4.06Å; E152-A155 PolarHBondContact O-N 3.48Å; E152-L190 HydrophobicContact CB-CD1 3.69Å; E152-F211 HydrophobicContact CB-CD1 4.14Å; E152-F211 HydrophobicContact CB-CE1 3.83Å; E152-F211 WeakPolarHBondContact OE2-CA 3.35Å; E152-F211 WeakPolarHBondContact OE2-CD1 3.41Å; E152-S212 VanDerWaalsContact OE1-CB 3.26Å; E152-S212 WeakPolarHBondContact OE1-CB 3.4Å; E152-S212 PolarHBondContact OE1-N 2.96Å; E152-S212 VanDerWaalsContact OE1-N 3.09Å; E152-S212 PolarHBondContact OE1-OG 3.36Å; E152-F222 HydrophobicContact CB-CZ 4.15Å; E152-F222 HydrophobicContact CG-CZ 4.43Å
153	A	92.6	Very high	95.6	Very high	12 Å²	12	54 Å²	54	10%	0.099	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	146.2	169.2	0	0	0	0	0	110.5	A155 M180 I181 K182	A153-A155 PolarHBondContact O-N 3.45Å; A153-M180 HydrophobicContact CB-CB 4.33Å; A153-I181 VanDerWaalsContact CB-O 3.25Å; A153-I181 WeakPolarHBondContact CB-O 3.28Å; A153-I181 PolarHBondContact N-O 3.17Å; A153-K182 HydrophobicContact CB-CB 4.28Å; A153-K182 HydrophobicContact CB-CD 4.49Å; A153-K182 HydrophobicContact CB-CG 3.39Å
154	K	89.9	Confident	95.6	Very high	158 Å²	158	52.9 Å²	52.9	69%	0.687	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	33.8	-173.1	-52.6	178.1	179.9	174.5	0	112.6	H215 F216	K154-H215 PolarHBondContact O-CE1 3Å; K154-H215 VanDerWaalsContact O-CE1 3.32Å; K154-H215 PolarHBondContact O-NE2 3.25Å; K154-F216 VanDerWaalsContact O-CE1 3.32Å; K154-F216 WeakPolarHBondContact O-CE1 3.35Å
155	A	91.1	Very high	95.7	Very high	9 Å²	9	48.5 Å²	48.5	7%	0.074	23%	0.229	C	C	.	.			trans	-50.9	163.7	162.8	0	0	0	0	0	111	L151 E152 A153	L151-A155 HydrophobicContact CD1-CB 4.09Å; E152-A155 HydrophobicContact CG-CB 4.06Å; E152-A155 PolarHBondContact O-N 3.48Å; A153-A155 PolarHBondContact O-N 3.45Å
156	F	92.6	Very high	95.7	Very high	91 Å²	91	40 Å²	40	40%	0.399	19%	0.192	S	C	.	.			trans	-54.3	133.6	-180	-165.8	-99.2	0	0	0	110.1	S158 D159 H160 F216	F156-S158 VanDerWaalsContact C-N 3.26Å; F156-S158 WeakPolarHBondContact CD1-OG 3.28Å; F156-S158 VanDerWaalsContact CE1-OG 3.27Å; F156-S158 WeakPolarHBondContact CE1-OG 3.37Å; F156-S158 PolarHBondContact O-N 3.46Å; F156-S158 VanDerWaalsContact O-N 3.09Å; F156-D159 WeakPolarHBondContact O-CB 3.33Å; F156-D159 PolarHBondContact O-N 3.01Å; F156-H160 PolarHBondContact O-N 3.4Å; F156-H160 VanDerWaalsContact O-N 3.14Å; F156-F216 HydrophobicContact CB-CD1 4.01Å; F156-F216 HydrophobicContact CB-CE1 4.24Å; F156-F216 HydrophobicContact CD2-CB 4.1Å; F156-F216 AromaticContact CD2-CD1 3.8Å; F156-F216 HydrophobicContact CD2-CD1 3.8Å; F156-F216 AromaticContact CD2-CD2 3.84Å; F156-F216 HydrophobicContact CD2-CD2 3.84Å; F156-F216 HydrophobicContact CD2-CE1 4.15Å; F156-F216 HydrophobicContact CD2-CE2 4.2Å; F156-F216 AromaticContact CD2-CG 3.63Å; F156-F216 HydrophobicContact CD2-CG 3.63Å; F156-F216 HydrophobicContact CD2-CZ 4.34Å; F156-F216 HydrophobicContact CE2-CD2 4.21Å; F156-F216 HydrophobicContact CE2-CG 4.36Å; F156-F216 HydrophobicContact CG-CD1 4.41Å
157	P	93.3	Very high	95.8	Very high	69 Å²	69	37.1 Å²	37.1	45%	0.448	18%	0.181	S	C	.	.	H	α-helix	trans	-54.6	-39.6	-167	-30.6	35.6	0	0	0	114.1	D159 H160 Y161	P157-D159 VanDerWaalsContact C-N 3.34Å; P157-D159 PolarHBondContact O-N 2.88Å; P157-H160 WeakPolarHBondContact O-CB 3.33Å; P157-H160 PolarHBondContact O-N 2.91Å; P157-Y161 HydrophobicContact CB-CE2 4.38Å; P157-Y161 WeakPolarHBondContact O-CD2 3.26Å; P157-Y161 PolarHBondContact O-N 3.35Å; P157-Y161 VanDerWaalsContact O-N 3.1Å
158	S	94.8	Very high	95.7	Very high	34 Å²	34	40.4 Å²	40.4	24%	0.238	20%	0.198	C	C	.	.	H	α-helix	trans	-72	-26.5	179.8	60.4	0	0	0	0	113.5	T129 F156 A162	T129-S158 WeakPolarHBondContact CG2-O 3.31Å; T129-S158 VanDerWaalsContact OG1-CB 3.28Å; T129-S158 WeakPolarHBondContact OG1-CB 3.43Å; T129-S158 PolarHBondContact OG1-OG 2.87Å; F156-S158 VanDerWaalsContact C-N 3.26Å; F156-S158 WeakPolarHBondContact CD1-OG 3.28Å; F156-S158 VanDerWaalsContact CE1-OG 3.27Å; F156-S158 WeakPolarHBondContact CE1-OG 3.37Å; F156-S158 PolarHBondContact O-N 3.46Å; F156-S158 VanDerWaalsContact O-N 3.09Å; S158-A162 WeakPolarHBondContact O-CB 3.38Å; S158-A162 PolarHBondContact O-N 3.48Å
159	D	94.8	Very high	95.7	Very high	21 Å²	21	43.8 Å²	43.8	11%	0.112	22%	0.217	C	C	.	.	H	α-helix	trans	-70.9	-38.9	172.9	-62.2	-7	0	0	0	110.5	L132 F156 P157 A162 I163	L132-D159 HydrophobicContact CD1-CB 4.35Å; L132-D159 VanDerWaalsContact CD1-OD1 3.31Å; L132-D159 WeakPolarHBondContact CD1-OD1 3.13Å; F156-D159 WeakPolarHBondContact O-CB 3.33Å; F156-D159 PolarHBondContact O-N 3.01Å; P157-D159 VanDerWaalsContact C-N 3.34Å; P157-D159 PolarHBondContact O-N 2.88Å; D159-A162 PolarHBondContact O-N 3.26Å; D159-I163 PolarHBondContact O-N 3.38Å
160	H	94.7	Very high	95.6	Very high	39 Å²	39	47.3 Å²	47.3	18%	0.181	23%	0.234	C	C	.	.	H	α-helix	trans	-57.6	-50.8	172.7	-166.6	-71	0	0	0	111	F156 P157 A162 I163 E164 M178	F156-H160 PolarHBondContact O-N 3.4Å; F156-H160 VanDerWaalsContact O-N 3.14Å; P157-H160 WeakPolarHBondContact O-CB 3.33Å; P157-H160 PolarHBondContact O-N 2.91Å; H160-A162 VanDerWaalsContact C-N 3.32Å; H160-A162 PolarHBondContact O-N 2.94Å; H160-I163 PolarHBondContact O-N 3.17Å; H160-E164 IonicContact CE1-OE1 2.71Å; H160-E164 PolarHBondContact CE1-OE1 3.45Å; H160-E164 IonicContact ND1-OE1 2.83Å; H160-E164 PolarHBondContact ND1-OE1 2.93Å; H160-E164 IonicContact ND1-OE2 3.68Å; H160-E164 WeakPolarHBondContact O-CG 3.25Å; H160-E164 PolarHBondContact O-N 2.62Å; H160-M178 HydrophobicContact CB-CE 4.3Å; H160-M178 VanDerWaalsContact CD2-CE 3.42Å; H160-M178 WeakPolarHBondContact CD2-CE 3.25Å; H160-M178 WeakPolarHBondContact NE2-CE 3.48Å
161	Y	95.5	Very high	95.6	Very high	154 Å²	154	50.7 Å²	50.7	60%	0.604	27%	0.268	S	S	*	.	H	α-helix	trans	-65.2	-33.7	177.6	-66.3	-54.9	0	0	0	113	P157 I163 E164 S165	P157-Y161 HydrophobicContact CB-CE2 4.38Å; P157-Y161 WeakPolarHBondContact O-CD2 3.26Å; P157-Y161 PolarHBondContact O-N 3.35Å; P157-Y161 VanDerWaalsContact O-N 3.1Å; Y161-I163 VanDerWaalsContact C-N 3.31Å; Y161-I163 PolarHBondContact O-N 2.83Å; Y161-E164 WeakPolarHBondContact CD1-OE2 3.27Å; Y161-E164 PolarHBondContact O-N 3.38Å; Y161-S165 WeakPolarHBondContact O-CB 3.22Å; Y161-S165 PolarHBondContact O-N 2.91Å; Y161-S165 PolarHBondContact O-OG 2.68Å
162	A	96.8	Very high	95.6	Very high	3 Å²	3	52.6 Å²	52.6	3%	0.025	28%	0.278	C	S	.	.	H	α-helix	trans	-63.8	-37.9	174.7	0	0	0	0	0	111.8	T129 M136 S158 D159 H160 S165 Q166	T129-A162 HydrophobicContact CG2-CB 4.12Å; M136-A162 HydrophobicContact CE-CB 3.86Å; S158-A162 WeakPolarHBondContact O-CB 3.38Å; S158-A162 PolarHBondContact O-N 3.48Å; D159-A162 PolarHBondContact O-N 3.26Å; H160-A162 VanDerWaalsContact C-N 3.32Å; H160-A162 PolarHBondContact O-N 2.94Å; A162-S165 WeakPolarHBondContact CA-OG 3.43Å; A162-S165 PolarHBondContact O-OG 2.68Å; A162-Q166 WeakPolarHBondContact O-CG 3.16Å; A162-Q166 PolarHBondContact O-N 2.83Å
163	I	97.2	Very high	95.7	Very high	1 Å²	1	56 Å²	56	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-69.5	-49.6	174.6	-71.5	168	0	0	0	110.8	M136 I149 L151 D159 H160 Y161 S165 Q166 L167 M178 L210	M136-I163 HydrophobicContact CE-CG1 4.15Å; M136-I163 HydrophobicContact SD-CG1 3.98Å; I149-I163 HydrophobicContact CB-CG2 4.15Å; I149-I163 HydrophobicContact CD1-CG2 4.02Å; I149-I163 HydrophobicContact CG2-CD1 3.89Å; I149-I163 HydrophobicContact CG2-CG1 4.12Å; I149-I163 HydrophobicContact CG2-CG2 4.15Å; L151-I163 HydrophobicContact CB-CD1 4.31Å; L151-I163 HydrophobicContact CD1-CD1 3.74Å; L151-I163 HydrophobicContact CD2-CD1 4.46Å; L151-I163 HydrophobicContact CG-CD1 4.38Å; D159-I163 PolarHBondContact O-N 3.38Å; H160-I163 PolarHBondContact O-N 3.17Å; Y161-I163 VanDerWaalsContact C-N 3.31Å; Y161-I163 PolarHBondContact O-N 2.83Å; I163-S165 VanDerWaalsContact C-N 3.3Å; I163-S165 PolarHBondContact O-N 3.34Å; I163-Q166 PolarHBondContact O-N 2.8Å; I163-Q166 VanDerWaalsContact O-N 3.12Å; I163-L167 HydrophobicContact CG2-CD1 3.89Å; I163-L167 HydrophobicContact CG2-CG 4.27Å; I163-L167 WeakPolarHBondContact O-CG 3.47Å; I163-L167 PolarHBondContact O-N 3.36Å; I163-M178 HydrophobicContact CB-CE 3.94Å; I163-M178 HydrophobicContact CD1-CE 4.36Å; I163-M178 HydrophobicContact CG2-CE 3.78Å; I163-M178 HydrophobicContact CG2-CG 3.99Å; I163-M178 HydrophobicContact CG2-SD 3.87Å; I163-L210 HydrophobicContact CD1-CB 4.49Å; I163-L210 HydrophobicContact CD1-CD2 3.7Å; I163-L210 HydrophobicContact CG1-CD2 4.04Å
164	E	97	Very high	95.9	Very high	47 Å²	47	57.3 Å²	57.3	22%	0.22	30%	0.302	C	S	.	.	H	α-helix	trans	-56	-46.4	179.7	-73.3	-175.5	156.2	0	0	111.9	H160 Y161 Q166 L167 Q168 I174 M178	H160-E164 IonicContact CE1-OE1 2.71Å; H160-E164 PolarHBondContact CE1-OE1 3.45Å; H160-E164 IonicContact ND1-OE1 2.83Å; H160-E164 PolarHBondContact ND1-OE1 2.93Å; H160-E164 IonicContact ND1-OE2 3.68Å; H160-E164 WeakPolarHBondContact O-CG 3.25Å; H160-E164 PolarHBondContact O-N 2.62Å; Y161-E164 WeakPolarHBondContact CD1-OE2 3.27Å; Y161-E164 PolarHBondContact O-N 3.38Å; E164-Q166 VanDerWaalsContact C-N 3.32Å; E164-Q166 PolarHBondContact O-N 3.07Å; E164-L167 PolarHBondContact O-N 3.31Å; E164-Q168 WeakPolarHBondContact O-CG 3.36Å; E164-Q168 PolarHBondContact O-N 3.04Å; E164-I174 HydrophobicContact CB-CD1 4.02Å; E164-I174 HydrophobicContact CG-CD1 4.07Å; E164-I174 HydrophobicContact CG-CG2 4.03Å; E164-M178 HydrophobicContact CG-CE 4.45Å; E164-M178 HydrophobicContact CG-SD 3.77Å
165	S	97.1	Very high	96.2	Very high	41 Å²	41	58.3 Å²	58.3	29%	0.287	31%	0.309	S	S	.	.	H	α-helix	trans	-63	-37	178.5	53.6	0	0	0	0	112.6	H133 Y161 A162 I163 L169	H133-S165 PolarHBondContact CE1-OG 3.09Å; H133-S165 PolarHBondContact ND1-OG 2.83Å; Y161-S165 WeakPolarHBondContact O-CB 3.22Å; Y161-S165 PolarHBondContact O-N 2.91Å; Y161-S165 PolarHBondContact O-OG 2.68Å; A162-S165 WeakPolarHBondContact CA-OG 3.43Å; A162-S165 PolarHBondContact O-OG 2.68Å; I163-S165 VanDerWaalsContact C-N 3.3Å; I163-S165 PolarHBondContact O-N 3.34Å; S165-L169 VanDerWaalsContact O-CB 3.26Å; S165-L169 WeakPolarHBondContact O-CB 3.49Å; S165-L169 PolarHBondContact O-N 3.18Å
166	Q	97.7	Very high	96.5	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-67.6	-43.6	174.3	-72.6	-70.2	-37	0	0	111.9	H133 M136 F140 A162 I163 E164 Q168 L169 H170	H133-Q166 PolarHBondContact CD2-NE2 3.09Å; H133-Q166 PolarHBondContact CE1-NE2 3.17Å; H133-Q166 PolarHBondContact ND1-NE2 2.92Å; H133-Q166 PolarHBondContact NE2-NE2 3.47Å; H133-Q166 VanDerWaalsContact NE2-NE2 3.16Å; H133-Q166 PolarHBondContact O-NE2 2.84Å; M136-Q166 HydrophobicContact CB-CG 3.72Å; M136-Q166 HydrophobicContact CE-CG 3.99Å; M136-Q166 HydrophobicContact SD-CG 4.23Å; F140-Q166 HydrophobicContact CD1-CB 4.5Å; A162-Q166 WeakPolarHBondContact O-CG 3.16Å; A162-Q166 PolarHBondContact O-N 2.83Å; I163-Q166 PolarHBondContact O-N 2.8Å; I163-Q166 VanDerWaalsContact O-N 3.12Å; E164-Q166 VanDerWaalsContact C-N 3.32Å; E164-Q166 PolarHBondContact O-N 3.07Å; Q166-Q168 VanDerWaalsContact C-N 3.34Å; Q166-Q168 PolarHBondContact O-N 3.32Å; Q166-L169 WeakPolarHBondContact O-CB 2.99Å; Q166-L169 PolarHBondContact O-N 3.04Å; Q166-H170 PolarHBondContact O-CD2 3.18Å; Q166-H170 PolarHBondContact O-N 3.03Å; Q166-H170 VanDerWaalsContact O-N 3.11Å
167	L	98.1	Very high	96.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-59.9	-45.9	175.9	-67	174.4	0	0	0	111.3	F140 I149 I163 E164 H170 G171 L172 M178	F140-L167 HydrophobicContact CE1-CD2 4.06Å; F140-L167 HydrophobicContact CZ-CD2 3.82Å; I149-L167 HydrophobicContact CD1-CD2 4.08Å; I149-L167 HydrophobicContact CD1-CG 4.43Å; I149-L167 HydrophobicContact CG1-CD2 4.28Å; I163-L167 HydrophobicContact CG2-CD1 3.89Å; I163-L167 HydrophobicContact CG2-CG 4.27Å; I163-L167 WeakPolarHBondContact O-CG 3.47Å; I163-L167 PolarHBondContact O-N 3.36Å; E164-L167 PolarHBondContact O-N 3.31Å; L167-H170 CarbonylContact O-C 3.51Å; L167-H170 PolarHBondContact O-N 2.65Å; L167-G171 PolarHBondContact O-N 3.35Å; L167-L172 HydrophobicContact CB-CB 4.31Å; L167-L172 HydrophobicContact CD2-CB 4.34Å; L167-L172 HydrophobicContact CD2-CD1 3.75Å; L167-L172 WeakPolarHBondContact O-CB 3.36Å; L167-L172 PolarHBondContact O-N 3.32Å; L167-M178 HydrophobicContact CD1-CB 3.74Å; L167-M178 HydrophobicContact CD1-CG 4.4Å
168	Q	97.9	Very high	97	Very high	125 Å²	125	56.7 Å²	56.7	58%	0.584	30%	0.295	S	S	*	.	H	α-helix	trans	-63.3	-41.3	176.1	-72.4	178	-13.6	0	0	112.6	E164 Q166 H170 G171 I174	E164-Q168 WeakPolarHBondContact O-CG 3.36Å; E164-Q168 PolarHBondContact O-N 3.04Å; Q166-Q168 VanDerWaalsContact C-N 3.34Å; Q166-Q168 PolarHBondContact O-N 3.32Å; Q168-H170 PolarHBondContact O-N 2.98Å; Q168-G171 PolarHBondContact O-N 2.99Å; Q168-I174 HydrophobicContact CG-CD1 3.92Å; Q168-I174 HydrophobicContact CG-CG1 4.25Å
169	L	97.5	Very high	97.1	Very high	108 Å²	108	58.3 Å²	58.3	57%	0.565	30%	0.296	S	S	*	.	H	α-helix	trans	-58.5	-33.3	176.7	-178.2	63.4	0	0	0	111.9	L137 S165 Q166	L137-L169 HydrophobicContact CD1-CD2 3.56Å; S165-L169 VanDerWaalsContact O-CB 3.26Å; S165-L169 WeakPolarHBondContact O-CB 3.49Å; S165-L169 PolarHBondContact O-N 3.18Å; Q166-L169 WeakPolarHBondContact O-CB 2.99Å; Q166-L169 PolarHBondContact O-N 3.04Å
170	H	97.4	Very high	97.3	Very high	75 Å²	75	60.4 Å²	60.4	35%	0.347	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	5.8	175	-72.7	-75.4	0	0	0	114.2	F140 P142 Q166 L167 Q168 L172	F140-H170 AromaticContact CD1-CD2 3.64Å; F140-H170 AromaticContact CD1-NE2 3.87Å; F140-H170 AromaticContact CE1-CD2 3.69Å; P142-H170 HydrophobicContact CG-CB 3.89Å; Q166-H170 PolarHBondContact O-CD2 3.18Å; Q166-H170 PolarHBondContact O-N 3.03Å; Q166-H170 VanDerWaalsContact O-N 3.11Å; L167-H170 CarbonylContact O-C 3.51Å; L167-H170 PolarHBondContact O-N 2.65Å; Q168-H170 PolarHBondContact O-N 2.98Å; H170-L172 VanDerWaalsContact C-N 3.27Å; H170-L172 HydrophobicContact CB-CD1 4.17Å; H170-L172 HydrophobicContact CB-CG 4.15Å; H170-L172 PolarHBondContact O-N 2.92Å
171	G	97.7	Very high	97.4	Very high	70 Å²	70	59 Å²	59	72%	0.722	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	21.2	-179.9	0	0	0	0	0	114.4	L167 Q168	L167-G171 PolarHBondContact O-N 3.35Å; Q168-G171 PolarHBondContact O-N 2.99Å
172	L	98.3	Very high	97.5	Very high	42 Å²	42	58.9 Å²	58.9	22%	0.22	30%	0.302	C	S	.	.			trans	-88.3	146	-179	-62.9	173.2	0	0	0	111.5	F140 P142 Y147 L167 H170 I174	F140-L172 HydrophobicContact CE1-CD1 4.25Å; F140-L172 HydrophobicContact CZ-CD1 3.88Å; P142-L172 HydrophobicContact CB-CD1 3.9Å; P142-L172 HydrophobicContact CG-CD1 4.06Å; Y147-L172 HydrophobicContact CD2-CD1 4.49Å; Y147-L172 HydrophobicContact CD2-CD2 4.26Å; Y147-L172 HydrophobicContact CG-CD2 4.41Å; L167-L172 HydrophobicContact CB-CB 4.31Å; L167-L172 HydrophobicContact CD2-CB 4.34Å; L167-L172 HydrophobicContact CD2-CD1 3.75Å; L167-L172 WeakPolarHBondContact O-CB 3.36Å; L167-L172 PolarHBondContact O-N 3.32Å; H170-L172 VanDerWaalsContact C-N 3.27Å; H170-L172 HydrophobicContact CB-CD1 4.17Å; H170-L172 HydrophobicContact CB-CG 4.15Å; H170-L172 PolarHBondContact O-N 2.92Å; L172-I174 PolarHBondContact O-N 2.82Å
173	N	98.2	Very high	97.5	Very high	78 Å²	78	60.9 Å²	60.9	42%	0.417	32%	0.315	S	S	.	.			trans	-70.7	127.4	170.5	-179.1	-65.6	0	0	0	109.8	E175 E176 S177	N173-E175 WeakPolarHBondContact OD1-CA 3.37Å; N173-E175 WeakPolarHBondContact OD1-CB 2.78Å; N173-E175 PolarHBondContact OD1-N 3.1Å; N173-E176 HydrophobicContact CB-CB 4.24Å; N173-E176 HydrophobicContact CB-CG 4.25Å; N173-E176 PolarHBondContact OD1-N 2.95Å; N173-E176 VanDerWaalsContact OD1-N 3.1Å; N173-S177 WeakPolarHBondContact O-CB 3.35Å; N173-S177 PolarHBondContact O-N 3.23Å; N173-S177 PolarHBondContact O-OG 2.98Å
174	I	97.5	Very high	97.5	Very high	39 Å²	39	65.3 Å²	65.3	20%	0.2	33%	0.332	C	S	.	.	H	α-helix	trans	-63.2	-48.7	-177.4	-65.1	172.7	0	0	0	111.3	E164 Q168 L172 E176 S177 M178	E164-I174 HydrophobicContact CB-CD1 4.02Å; E164-I174 HydrophobicContact CG-CD1 4.07Å; E164-I174 HydrophobicContact CG-CG2 4.03Å; Q168-I174 HydrophobicContact CG-CD1 3.92Å; Q168-I174 HydrophobicContact CG-CG1 4.25Å; L172-I174 PolarHBondContact O-N 2.82Å; I174-E176 VanDerWaalsContact C-N 3.26Å; I174-E176 PolarHBondContact O-N 3.25Å; I174-S177 PolarHBondContact O-N 2.88Å; I174-M178 HydrophobicContact CG2-CB 4.13Å; I174-M178 HydrophobicContact CG2-SD 4.1Å; I174-M178 WeakPolarHBondContact O-CB 3.28Å; I174-M178 PolarHBondContact O-N 3.04Å
175	E	96.1	Very high	97.5	Very high	178 Å²	178	72.7 Å²	72.7	83%	0.832	37%	0.366	S	S	*	.	H	α-helix	trans	-61.6	-35.6	-175.7	-61.2	-176.5	169.8	0	0	112.1	N173	N173-E175 WeakPolarHBondContact OD1-CA 3.37Å; N173-E175 WeakPolarHBondContact OD1-CB 2.78Å; N173-E175 PolarHBondContact OD1-N 3.1Å
176	E	97	Very high	97.5	Very high	127 Å²	127	74.7 Å²	74.7	59%	0.593	39%	0.393	S	S	*	.	H	α-helix	trans	-81.8	-28	179.6	-63.7	-178.9	165.3	0	0	113.4	N173 I174	N173-E176 HydrophobicContact CB-CB 4.24Å; N173-E176 HydrophobicContact CB-CG 4.25Å; N173-E176 PolarHBondContact OD1-N 2.95Å; N173-E176 VanDerWaalsContact OD1-N 3.1Å; I174-E176 VanDerWaalsContact C-N 3.26Å; I174-E176 PolarHBondContact O-N 3.25Å
177	S	98.1	Very high	97.4	Very high	1 Å²	1	77.2 Å²	77.2	1%	0.007	41%	0.405	C	S	.	.	H	α-helix	trans	-104.3	-23.4	-169.5	-48.7	0	0	0	0	113.5	Y147 K148 I149 N173 I174 R179	Y147-S177 VanDerWaalsContact CD2-OG 3.29Å; Y147-S177 WeakPolarHBondContact CD2-OG 3.04Å; Y147-S177 WeakPolarHBondContact CE2-OG 3.37Å; K148-S177 CarbonylContact C-O 3.58Å; K148-S177 WeakPolarHBondContact CA-O 3.36Å; K148-S177 WeakPolarHBondContact CB-O 3.45Å; I149-S177 PolarHBondContact N-O 3.1Å; N173-S177 WeakPolarHBondContact O-CB 3.35Å; N173-S177 PolarHBondContact O-N 3.23Å; N173-S177 PolarHBondContact O-OG 2.98Å; I174-S177 PolarHBondContact O-N 2.88Å; S177-R179 PolarHBondContact O-N 3.24Å
178	M	97.9	Very high	97.3	Very high	8 Å²	8	83.8 Å²	83.8	4%	0.039	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	89.3	-179.6	-166.5	164.3	-175.4	0	0	110.3	L151 H160 I163 E164 L167 I174 M180	L151-M178 HydrophobicContact CD1-CE 3.48Å; L151-M178 VanDerWaalsContact CD1-CE 3.48Å; L151-M178 HydrophobicContact CD2-CE 4.08Å; L151-M178 HydrophobicContact CD2-CG 3.71Å; L151-M178 HydrophobicContact CG-CE 4.45Å; H160-M178 HydrophobicContact CB-CE 4.3Å; H160-M178 VanDerWaalsContact CD2-CE 3.42Å; H160-M178 WeakPolarHBondContact CD2-CE 3.25Å; H160-M178 WeakPolarHBondContact NE2-CE 3.48Å; I163-M178 HydrophobicContact CB-CE 3.94Å; I163-M178 HydrophobicContact CD1-CE 4.36Å; I163-M178 HydrophobicContact CG2-CE 3.78Å; I163-M178 HydrophobicContact CG2-CG 3.99Å; I163-M178 HydrophobicContact CG2-SD 3.87Å; E164-M178 HydrophobicContact CG-CE 4.45Å; E164-M178 HydrophobicContact CG-SD 3.77Å; L167-M178 HydrophobicContact CD1-CB 3.74Å; L167-M178 HydrophobicContact CD1-CG 4.4Å; I174-M178 HydrophobicContact CG2-CB 4.13Å; I174-M178 HydrophobicContact CG2-SD 4.1Å; I174-M178 WeakPolarHBondContact O-CB 3.28Å; I174-M178 PolarHBondContact O-N 3.04Å; M178-M180 HydrophobicContact CG-CE 4.48Å; M178-M180 HydrophobicContact CG-CG 4.47Å; M178-M180 PolarHBondContact O-N 2.88Å; M178-M180 VanDerWaalsContact O-N 3.14Å
179	R	97.9	Very high	97.3	Very high	67 Å²	67	80.8 Å²	80.8	25%	0.253	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	93.2	-174.2	-175.5	57.7	176.9	83.7	4.3	110.7	K148 I149 L150 L151 S177 V198 E202	K148-R179 HydrophobicContact CD-CB 4.42Å; I149-R179 PolarHBondContact O-N 2.76Å; L150-R179 WeakPolarHBondContact CA-O 3.43Å; L150-R179 HydrophobicContact CD1-CB 4.13Å; L150-R179 HydrophobicContact CD1-CG 3.63Å; L150-R179 WeakPolarHBondContact CD1-O 3.38Å; L151-R179 PolarHBondContact N-O 3.1Å; S177-R179 PolarHBondContact O-N 3.24Å; R179-V198 HydrophobicContact CG-CG1 4.44Å; R179-E202 IonicContact CZ-OE1 3.78Å; R179-E202 VanDerWaalsContact CZ-OE1 3.28Å; R179-E202 IonicContact NE-OE1 3.09Å; R179-E202 PolarHBondContact NE-OE1 3.06Å; R179-E202 IonicContact NE-OE2 2.98Å; R179-E202 PolarHBondContact NE-OE2 3.35Å; R179-E202 IonicContact NH2-OE1 2.92Å; R179-E202 PolarHBondContact NH2-OE1 3.42Å
180	M	97.4	Very high	97.3	Very high	66 Å²	66	76.1 Å²	76.1	33%	0.325	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	137.3	176.7	-71.2	177.6	-88.1	0	0	112.7	L151 A153 M178	L151-M180 HydrophobicContact CD1-CG 4.19Å; L151-M180 HydrophobicContact CD2-CB 4.43Å; L151-M180 HydrophobicContact CD2-CG 3.55Å; L151-M180 HydrophobicContact CG-CG 3.8Å; L151-M180 CarbonylContact O-C 3.55Å; L151-M180 WeakPolarHBondContact O-CA 3.37Å; A153-M180 HydrophobicContact CB-CB 4.33Å; M178-M180 HydrophobicContact CG-CE 4.48Å; M178-M180 HydrophobicContact CG-CG 4.47Å; M178-M180 PolarHBondContact O-N 2.88Å; M178-M180 VanDerWaalsContact O-N 3.14Å
181	I	97.2	Very high	97.3	Very high	8 Å²	8	77.1 Å²	77.1	4%	0.041	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.2	170.6	-51.6	170.2	0	0	0	109.3	L150 L151 A153 L190 I195 V198 F211	L150-I181 HydrophobicContact CD1-CD1 3.59Å; L150-I181 HydrophobicContact CD1-CG1 3.72Å; L150-I181 HydrophobicContact CD2-CD1 4.21Å; L150-I181 HydrophobicContact CG-CD1 4.18Å; L151-I181 PolarHBondContact O-N 2.89Å; A153-I181 VanDerWaalsContact CB-O 3.25Å; A153-I181 WeakPolarHBondContact CB-O 3.28Å; A153-I181 PolarHBondContact N-O 3.17Å; I181-L190 HydrophobicContact CB-CD1 4.5Å; I181-L190 HydrophobicContact CB-CD2 4.16Å; I181-L190 HydrophobicContact CG2-CD2 3.53Å; I181-I195 HydrophobicContact CD1-CB 4.26Å; I181-I195 HydrophobicContact CD1-CG1 4.19Å; I181-I195 HydrophobicContact CD1-CG2 4.15Å; I181-V198 HydrophobicContact CD1-CB 3.99Å; I181-V198 HydrophobicContact CD1-CG1 4.15Å; I181-V198 HydrophobicContact CD1-CG2 4.11Å; I181-V198 HydrophobicContact CG1-CG1 4.4Å; I181-V198 HydrophobicContact CG1-CG2 4.23Å; I181-F211 HydrophobicContact CD1-CZ 4.03Å
182	K	96.9	Very high	97.3	Very high	152 Å²	152	76.5 Å²	76.5	66%	0.661	38%	0.382	S	S	*	.			trans	-108.4	148.2	179.4	-67.6	172.9	-177.7	178.5	0	110.3	A153 L190	A153-K182 HydrophobicContact CB-CB 4.28Å; A153-K182 HydrophobicContact CB-CD 4.49Å; A153-K182 HydrophobicContact CB-CG 3.39Å; K182-L190 WeakPolarHBondContact O-CD2 3.49Å
183	P	97.1	Very high	97.3	Very high	45 Å²	45	78.7 Å²	78.7	29%	0.292	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-52.2	153.1	165.5	-26.2	35.5	0	0	0	111.4	E187 E188 L190	P183-E187 HydrophobicContact CB-CB 4.23Å; P183-E187 WeakPolarHBondContact CB-O 3.35Å; P183-E188 WeakPolarHBondContact CG-O 3.5Å; P183-L190 HydrophobicContact CG-CD2 4.4Å; P183-L190 HydrophobicContact CG-CG 4.37Å
184	R	97.3	Very high	97.3	Very high	95 Å²	95	76.1 Å²	76.1	36%	0.358	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-63.4	158.8	172.7	-60.2	177.5	-177.5	-178.6	0.6	109.8	G186 E187 E193 D194	R184-G186 PolarHBondContact O-N 3.31Å; R184-E187 HydrophobicContact CB-CG 4.27Å; R184-E187 WeakPolarHBondContact O-CB 3.3Å; R184-E187 PolarHBondContact O-N 3.28Å; R184-E193 IonicContact NH2-OE1 3.44Å; R184-D194 IonicContact CZ-OD1 2.79Å; R184-D194 IonicContact CZ-OD2 2.58Å; R184-D194 IonicContact NE-OD1 3.48Å; R184-D194 PolarHBondContact NE-OD1 3.32Å; R184-D194 VanDerWaalsContact NE-OD1 3.17Å; R184-D194 IonicContact NE-OD2 2.84Å; R184-D194 PolarHBondContact NE-OD2 2.8Å; R184-D194 IonicContact NH2-OD1 2.84Å; R184-D194 PolarHBondContact NH2-OD1 3.46Å; R184-D194 IonicContact NH2-OD2 3.28Å
185	E	96.7	Very high	97.3	Very high	202 Å²	202	74.3 Å²	74.3	94%	0.944	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	128.1	177	-172.3	174.8	-176.9	0	0	110.8	E187	E185-E187 VanDerWaalsContact C-N 3.33Å
186	G	96.9	Very high	97.5	Very high	83 Å²	83	68.7 Å²	68.7	86%	0.856	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	0.7	-175.8	0	0	0	0	0	115.3	R184	R184-G186 PolarHBondContact O-N 3.31Å
187	E	97.1	Very high	97.5	Very high	52 Å²	52	67 Å²	67	24%	0.243	34%	0.335	C	S	.	.			trans	-108.8	145.1	175.5	-61.8	-177	-163.2	0	0	111.4	P183 R184 E185 R191	P183-E187 HydrophobicContact CB-CB 4.23Å; P183-E187 WeakPolarHBondContact CB-O 3.35Å; R184-E187 HydrophobicContact CB-CG 4.27Å; R184-E187 WeakPolarHBondContact O-CB 3.3Å; R184-E187 PolarHBondContact O-N 3.28Å; E185-E187 VanDerWaalsContact C-N 3.33Å; E187-R191 IonicContact OE1-CZ 3.54Å; E187-R191 IonicContact OE1-NE 2.68Å; E187-R191 PolarHBondContact OE1-NE 3.29Å; E187-R191 IonicContact OE1-NH2 3.32Å; E187-R191 PolarHBondContact OE1-NH2 2.72Å; E187-R191 WeakPolarHBondContact OE2-CG 3.16Å; E187-R191 IonicContact OE2-CZ 3.71Å; E187-R191 IonicContact OE2-NE 3.5Å; E187-R191 PolarHBondContact OE2-NE 2.89Å; E187-R191 IonicContact OE2-NH2 3.53Å
188	E	95.2	Very high	97.5	Very high	139 Å²	139	67.7 Å²	67.7	65%	0.65	34%	0.34	S	S	*	.	S	Bend	trans	-95.6	-23.1	176.5	-64.7	-61.8	154.7	0	0	112.4	P183 T218	P183-E188 WeakPolarHBondContact CG-O 3.5Å; E188-T218 WeakPolarHBondContact O-CG2 3.47Å
189	T	97.2	Very high	97.6	Very high	62 Å²	62	67.5 Å²	67.5	38%	0.38	34%	0.338	S	S	.	.	S	Bend	trans	-115.5	150.6	-175	56.2	0	0	0	0	111.3	Q220	T189-Q220 VanDerWaalsContact CB-OE1 3.29Å; T189-Q220 HydrophobicContact CG2-CB 4.01Å; T189-Q220 HydrophobicContact CG2-CG 4.34Å
190	L	97.6	Very high	97.6	Very high	9 Å²	9	70.3 Å²	70.3	5%	0.047	36%	0.355	C	S	.	.			trans	-75.9	138.7	175.3	-76.4	170.8	0	0	0	111.2	E152 I181 K182 P183 I195 F211 Q220 F222	E152-L190 HydrophobicContact CB-CD1 3.69Å; I181-L190 HydrophobicContact CB-CD1 4.5Å; I181-L190 HydrophobicContact CB-CD2 4.16Å; I181-L190 HydrophobicContact CG2-CD2 3.53Å; K182-L190 WeakPolarHBondContact O-CD2 3.49Å; P183-L190 HydrophobicContact CG-CD2 4.4Å; P183-L190 HydrophobicContact CG-CG 4.37Å; L190-I195 HydrophobicContact CB-CD1 4.21Å; L190-I195 HydrophobicContact CD1-CD1 4.47Å; L190-F211 HydrophobicContact CD1-CE1 4.03Å; L190-Q220 PolarHBondContact O-NE2 3.42Å; L190-F222 HydrophobicContact CB-CE1 3.96Å; L190-F222 HydrophobicContact CD1-CE1 3.79Å; L190-F222 HydrophobicContact CD1-CZ 3.97Å; L190-F222 HydrophobicContact CG-CE1 4.43Å
191	R	97.8	Very high	97.6	Very high	97 Å²	97	74.4 Å²	74.4	37%	0.366	37%	0.37	S	S	.	.			trans	-85	143.8	168.9	-50.3	-163.7	-177.3	-166.4	-3.4	110.6	E187 E193 D194 I195	E187-R191 IonicContact OE1-CZ 3.54Å; E187-R191 IonicContact OE1-NE 2.68Å; E187-R191 PolarHBondContact OE1-NE 3.29Å; E187-R191 IonicContact OE1-NH2 3.32Å; E187-R191 PolarHBondContact OE1-NH2 2.72Å; E187-R191 WeakPolarHBondContact OE2-CG 3.16Å; E187-R191 IonicContact OE2-CZ 3.71Å; E187-R191 IonicContact OE2-NE 3.5Å; E187-R191 PolarHBondContact OE2-NE 2.89Å; E187-R191 IonicContact OE2-NH2 3.53Å; R191-E193 VanDerWaalsContact C-N 3.28Å; R191-E193 VanDerWaalsContact CB-CD 3.43Å; R191-E193 HydrophobicContact CB-CG 4.12Å; R191-E193 WeakPolarHBondContact CB-OE2 3.27Å; R191-E193 WeakPolarHBondContact CD-OE1 3.12Å; R191-E193 IonicContact NH1-OE1 2.72Å; R191-E193 PolarHBondContact O-N 3.17Å; R191-D194 PolarHBondContact O-N 3.29Å; R191-I195 PolarHBondContact O-N 2.94Å
192	I	98	Very high	97.6	Very high	57 Å²	57	76.2 Å²	76.2	29%	0.292	38%	0.379	S	S	.	.	H	α-helix	trans	-64.7	-36	-178.7	-174.3	58.7	0	0	0	111.3	D194 I195 L196 N223 I227	I192-D194 VanDerWaalsContact C-N 3.26Å; I192-D194 PolarHBondContact O-N 3.1Å; I192-I195 HydrophobicContact CD1-CB 4.48Å; I192-I195 HydrophobicContact CD1-CD1 4.35Å; I192-I195 PolarHBondContact O-N 2.86Å; I192-I195 VanDerWaalsContact O-N 3.16Å; I192-L196 HydrophobicContact CD1-CD2 4.48Å; I192-L196 HydrophobicContact CD1-CG 4.24Å; I192-L196 HydrophobicContact CG1-CD1 4.08Å; I192-L196 HydrophobicContact CG1-CG 4.15Å; I192-L196 VanDerWaalsContact O-CG 3.32Å; I192-L196 WeakPolarHBondContact O-CG 3.49Å; I192-L196 PolarHBondContact O-N 3.09Å; I192-N223 HydrophobicContact CD1-CB 4.29Å; I192-I227 HydrophobicContact CD1-CD1 4.14Å; I192-I227 HydrophobicContact CD1-CG1 3.71Å
193	E	98.4	Very high	97.6	Very high	87 Å²	87	69.1 Å²	69.1	41%	0.407	35%	0.349	S	S	.	.	H	α-helix	trans	-59.3	-36	177.1	60.2	-91.6	-150.9	0	0	112.7	R184 R191 L196 E197	R184-E193 IonicContact NH2-OE1 3.44Å; R191-E193 VanDerWaalsContact C-N 3.28Å; R191-E193 VanDerWaalsContact CB-CD 3.43Å; R191-E193 HydrophobicContact CB-CG 4.12Å; R191-E193 WeakPolarHBondContact CB-OE2 3.27Å; R191-E193 WeakPolarHBondContact CD-OE1 3.12Å; R191-E193 IonicContact NH1-OE1 2.72Å; R191-E193 PolarHBondContact O-N 3.17Å; E193-L196 PolarHBondContact O-N 2.72Å; E193-E197 VanDerWaalsContact O-CB 3.26Å; E193-E197 WeakPolarHBondContact O-CB 3.49Å; E193-E197 PolarHBondContact O-N 3.5Å
194	D	98.2	Very high	97.6	Very high	24 Å²	24	72.9 Å²	72.9	13%	0.128	37%	0.367	C	S	.	.	H	α-helix	trans	-69	-39	178.2	-62.4	-32.8	0	0	0	111	R184 R191 I192 V198	R184-D194 IonicContact CZ-OD1 2.79Å; R184-D194 IonicContact CZ-OD2 2.58Å; R184-D194 IonicContact NE-OD1 3.48Å; R184-D194 PolarHBondContact NE-OD1 3.32Å; R184-D194 VanDerWaalsContact NE-OD1 3.17Å; R184-D194 IonicContact NE-OD2 2.84Å; R184-D194 PolarHBondContact NE-OD2 2.8Å; R184-D194 IonicContact NH2-OD1 2.84Å; R184-D194 PolarHBondContact NH2-OD1 3.46Å; R184-D194 IonicContact NH2-OD2 3.28Å; R191-D194 PolarHBondContact O-N 3.29Å; I192-D194 VanDerWaalsContact C-N 3.26Å; I192-D194 PolarHBondContact O-N 3.1Å; D194-V198 WeakPolarHBondContact O-CG2 3.17Å; D194-V198 PolarHBondContact O-N 3.23Å
195	I	98.4	Very high	97.6	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-65.2	-47.6	176.5	-57.2	168.8	0	0	0	110.2	I181 L190 R191 I192 E197 V198 I199 F211 F222 I227	I181-I195 HydrophobicContact CD1-CB 4.26Å; I181-I195 HydrophobicContact CD1-CG1 4.19Å; I181-I195 HydrophobicContact CD1-CG2 4.15Å; L190-I195 HydrophobicContact CB-CD1 4.21Å; L190-I195 HydrophobicContact CD1-CD1 4.47Å; R191-I195 PolarHBondContact O-N 2.94Å; I192-I195 HydrophobicContact CD1-CB 4.48Å; I192-I195 HydrophobicContact CD1-CD1 4.35Å; I192-I195 PolarHBondContact O-N 2.86Å; I192-I195 VanDerWaalsContact O-N 3.16Å; I195-E197 VanDerWaalsContact C-N 3.35Å; I195-E197 PolarHBondContact O-N 2.92Å; I195-V198 PolarHBondContact O-N 3.25Å; I195-I199 HydrophobicContact CG2-CD1 4.09Å; I195-I199 WeakPolarHBondContact O-CG1 3.32Å; I195-I199 PolarHBondContact O-N 3Å; I195-I199 VanDerWaalsContact O-N 3.1Å; I195-F211 HydrophobicContact CD1-CE1 3.85Å; I195-F211 HydrophobicContact CD1-CZ 4.3Å; I195-F211 HydrophobicContact CG1-CE1 4.3Å; I195-F211 HydrophobicContact CG1-CZ 4.3Å; I195-F211 HydrophobicContact CG2-CE2 4.39Å; I195-F211 HydrophobicContact CG2-CZ 4.01Å; I195-F222 HydrophobicContact CD1-CD1 3.93Å; I195-F222 HydrophobicContact CD1-CE1 3.98Å; I195-I227 HydrophobicContact CD1-CD1 4.07Å; I195-I227 HydrophobicContact CG2-CD1 4.11Å; I195-I227 HydrophobicContact CG2-CG1 3.98Å; I195-I227 HydrophobicContact CG2-CG2 4.48Å
196	L	98.6	Very high	97.7	Very high	61 Å²	61	59.9 Å²	59.9	32%	0.319	31%	0.312	S	S	.	.	H	α-helix	trans	-64.7	-38.8	-180	-64.8	-179.4	0	0	0	112	I192 E193 V198 I199 E200 A230	I192-L196 HydrophobicContact CD1-CD2 4.48Å; I192-L196 HydrophobicContact CD1-CG 4.24Å; I192-L196 HydrophobicContact CG1-CD1 4.08Å; I192-L196 HydrophobicContact CG1-CG 4.15Å; I192-L196 VanDerWaalsContact O-CG 3.32Å; I192-L196 WeakPolarHBondContact O-CG 3.49Å; I192-L196 PolarHBondContact O-N 3.09Å; E193-L196 PolarHBondContact O-N 2.72Å; L196-V198 VanDerWaalsContact C-N 3.34Å; L196-V198 PolarHBondContact O-N 3.36Å; L196-I199 PolarHBondContact O-N 2.96Å; L196-E200 WeakPolarHBondContact O-CB 3.23Å; L196-E200 PolarHBondContact O-N 3.49Å; L196-A230 HydrophobicContact CD2-CB 3.56Å
197	E	98.4	Very high	97.7	Very high	91 Å²	91	57.6 Å²	57.6	43%	0.425	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-40.4	176.6	-176.7	177.5	176.3	0	0	112	E193 I195 E200 K201	E193-E197 VanDerWaalsContact O-CB 3.26Å; E193-E197 WeakPolarHBondContact O-CB 3.49Å; E193-E197 PolarHBondContact O-N 3.5Å; I195-E197 VanDerWaalsContact C-N 3.35Å; I195-E197 PolarHBondContact O-N 2.92Å; E197-E200 PolarHBondContact O-N 3.14Å; E197-K201 HydrophobicContact CG-CD 4.01Å; E197-K201 WeakPolarHBondContact O-CB 3.42Å; E197-K201 WeakPolarHBondContact O-CG 3.33Å; E197-K201 PolarHBondContact O-N 2.98Å; E197-K201 VanDerWaalsContact OE1-CE 3.27Å; E197-K201 WeakPolarHBondContact OE1-CE 3.32Å; E197-K201 IonicContact OE1-NZ 2.87Å; E197-K201 PolarHBondContact OE1-NZ 3.23Å
198	V	98.4	Very high	97.7	Very high	16 Å²	16	56.8 Å²	56.8	10%	0.097	28%	0.284	C	S	.	.	H	α-helix	trans	-65.7	-43.9	175.6	172.4	0	0	0	0	111.2	L150 R179 I181 D194 I195 L196 E200 K201 E202	L150-V198 HydrophobicContact CD1-CG1 3.65Å; L150-V198 HydrophobicContact CD2-CG1 4.44Å; R179-V198 HydrophobicContact CG-CG1 4.44Å; I181-V198 HydrophobicContact CD1-CB 3.99Å; I181-V198 HydrophobicContact CD1-CG1 4.15Å; I181-V198 HydrophobicContact CD1-CG2 4.11Å; I181-V198 HydrophobicContact CG1-CG1 4.4Å; I181-V198 HydrophobicContact CG1-CG2 4.23Å; D194-V198 WeakPolarHBondContact O-CG2 3.17Å; D194-V198 PolarHBondContact O-N 3.23Å; I195-V198 PolarHBondContact O-N 3.25Å; L196-V198 VanDerWaalsContact C-N 3.34Å; L196-V198 PolarHBondContact O-N 3.36Å; V198-E200 VanDerWaalsContact C-N 3.27Å; V198-E200 PolarHBondContact O-N 3.1Å; V198-K201 PolarHBondContact O-N 3.02Å; V198-E202 WeakPolarHBondContact O-CB 3.41Å; V198-E202 PolarHBondContact O-N 3.45Å
199	I	98.4	Very high	97.9	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.015	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-40	175.7	-65.6	166.6	0	0	0	110.4	L150 I195 L196 G203 I209 I227 A230 K234	L150-I199 HydrophobicContact CD2-CD1 4.23Å; L150-I199 HydrophobicContact CD2-CG1 3.6Å; I195-I199 HydrophobicContact CG2-CD1 4.09Å; I195-I199 WeakPolarHBondContact O-CG1 3.32Å; I195-I199 PolarHBondContact O-N 3Å; I195-I199 VanDerWaalsContact O-N 3.1Å; L196-I199 PolarHBondContact O-N 2.96Å; I199-G203 WeakPolarHBondContact O-CA 3.32Å; I199-G203 PolarHBondContact O-N 3.42Å; I199-I209 HydrophobicContact CD1-CD1 3.87Å; I199-I209 HydrophobicContact CG1-CD1 3.98Å; I199-I209 HydrophobicContact CG2-CD1 4.5Å; I199-I227 HydrophobicContact CD1-CG2 4.05Å; I199-A230 HydrophobicContact CB-CB 4.47Å; I199-A230 HydrophobicContact CD1-CB 4.09Å; I199-A230 HydrophobicContact CG2-CB 3.94Å; I199-K234 HydrophobicContact CG2-CG 4.14Å; I199-K234 WeakPolarHBondContact O-CE 3.32Å
200	E	98.1	Very high	97.8	Very high	127 Å²	127	51.5 Å²	51.5	59%	0.593	26%	0.257	S	S	*	.	H	α-helix	trans	-62.8	-48.5	178.8	-175.9	51.6	-139.2	0	0	111.8	L196 E197 V198 K234	L196-E200 WeakPolarHBondContact O-CB 3.23Å; L196-E200 PolarHBondContact O-N 3.49Å; E197-E200 PolarHBondContact O-N 3.14Å; V198-E200 VanDerWaalsContact C-N 3.27Å; V198-E200 PolarHBondContact O-N 3.1Å; E200-K234 PolarHBondContact O-NZ 2.64Å; E200-K234 IonicContact OE1-NZ 2.85Å; E200-K234 PolarHBondContact OE1-NZ 3.35Å; E200-K234 WeakPolarHBondContact OE2-CE 3.29Å; E200-K234 IonicContact OE2-NZ 2.83Å; E200-K234 PolarHBondContact OE2-NZ 2.96Å
201	K	97.8	Very high	97.8	Very high	151 Å²	151	52.3 Å²	52.3	66%	0.657	26%	0.26	S	S	*	.	H	α-helix	trans	-77.1	-36.8	-175.2	-71.6	177	173.7	178.1	0	114.2	E197 V198	E197-K201 HydrophobicContact CG-CD 4.01Å; E197-K201 WeakPolarHBondContact O-CB 3.42Å; E197-K201 WeakPolarHBondContact O-CG 3.33Å; E197-K201 PolarHBondContact O-N 2.98Å; E197-K201 VanDerWaalsContact OE1-CE 3.27Å; E197-K201 WeakPolarHBondContact OE1-CE 3.32Å; E197-K201 IonicContact OE1-NZ 2.87Å; E197-K201 PolarHBondContact OE1-NZ 3.23Å; V198-K201 PolarHBondContact O-N 3.02Å
202	E	97.6	Very high	97.6	Very high	46 Å²	46	49 Å²	49	22%	0.215	25%	0.252	C	S	.	.	H	α-helix	trans	-115.8	-0.2	-169.6	-61	-173.3	-126.1	0	0	113.5	K148 R179 V198 D204 S205 I206	K148-E202 IonicContact NZ-OE2 3.94Å; K148-E202 PolarHBondContact NZ-OE2 3.02Å; R179-E202 IonicContact CZ-OE1 3.78Å; R179-E202 VanDerWaalsContact CZ-OE1 3.28Å; R179-E202 IonicContact NE-OE1 3.09Å; R179-E202 PolarHBondContact NE-OE1 3.06Å; R179-E202 IonicContact NE-OE2 2.98Å; R179-E202 PolarHBondContact NE-OE2 3.35Å; R179-E202 IonicContact NH2-OE1 2.92Å; R179-E202 PolarHBondContact NH2-OE1 3.42Å; V198-E202 WeakPolarHBondContact O-CB 3.41Å; V198-E202 PolarHBondContact O-N 3.45Å; E202-D204 VanDerWaalsContact C-N 3.27Å; E202-D204 PolarHBondContact O-N 3.29Å; E202-D204 VanDerWaalsContact O-N 3.13Å; E202-S205 WeakPolarHBondContact O-CA 3.45Å; E202-S205 PolarHBondContact O-N 3.46Å; E202-S205 PolarHBondContact O-OG 2.97Å; E202-I206 HydrophobicContact CB-CD1 3.94Å; E202-I206 HydrophobicContact CB-CG1 4.48Å; E202-I206 WeakPolarHBondContact O-CG1 3.47Å; E202-I206 PolarHBondContact O-N 3.47Å
203	G	97	Very high	97.4	Very high	4 Å²	4	48.1 Å²	48.1	4%	0.041	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-54.2	-35	-171.6	0	0	0	0	0	115.6	I199 S205 I206	I199-G203 WeakPolarHBondContact O-CA 3.32Å; I199-G203 PolarHBondContact O-N 3.42Å; G203-S205 PolarHBondContact O-N 3.18Å; G203-I206 PolarHBondContact O-N 3.05Å; G203-I206 VanDerWaalsContact O-N 3.13Å
204	D	96.6	Very high	97.3	Very high	123 Å²	123	48.1 Å²	48.1	66%	0.658	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-63.6	-24.2	177.2	-65.8	-20.9	0	0	0	112.7	R146 E202	R146-D204 WeakPolarHBondContact CB-O 3.45Å; R146-D204 WeakPolarHBondContact CG-O 3.35Å; E202-D204 VanDerWaalsContact C-N 3.27Å; E202-D204 PolarHBondContact O-N 3.29Å; E202-D204 VanDerWaalsContact O-N 3.13Å
205	S	97.8	Very high	97.1	Very high	21 Å²	21	47.4 Å²	47.4	15%	0.147	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-95.2	-11.6	177.5	71.1	0	0	0	0	114.4	K145 R146 Y147 K148 E202 G203	K145-S205 VanDerWaalsContact O-CA 3.29Å; K145-S205 WeakPolarHBondContact O-CA 3.38Å; R146-S205 CarbonylContact C-O 3.54Å; R146-S205 WeakPolarHBondContact CA-O 3.3Å; Y147-S205 PolarHBondContact N-O 3.09Å; K148-S205 WeakPolarHBondContact CB-O 3.39Å; K148-S205 WeakPolarHBondContact CD-OG 3.35Å; K148-S205 PolarHBondContact N-O 3.41Å; E202-S205 WeakPolarHBondContact O-CA 3.45Å; E202-S205 PolarHBondContact O-N 3.46Å; E202-S205 PolarHBondContact O-OG 2.97Å; G203-S205 PolarHBondContact O-N 3.18Å
206	I	98.1	Very high	96.7	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	112.8	-175.3	-64	164	0	0	0	110	R146 K148 L150 E202 G203 V208 I209	R146-I206 VanDerWaalsContact CZ-O 3.29Å; R146-I206 PolarHBondContact NE-O 3.2Å; R146-I206 PolarHBondContact NH2-O 2.95Å; K148-I206 HydrophobicContact CB-CG1 4.2Å; K148-I206 CarbonylContact O-C 3.59Å; L150-I206 HydrophobicContact CB-CD1 4.15Å; L150-I206 HydrophobicContact CB-CG1 4.46Å; L150-I206 HydrophobicContact CB-CG2 3.82Å; L150-I206 HydrophobicContact CD1-CD1 4.41Å; L150-I206 HydrophobicContact CD2-CD1 4.15Å; L150-I206 HydrophobicContact CG-CD1 4.46Å; E202-I206 HydrophobicContact CB-CD1 3.94Å; E202-I206 HydrophobicContact CB-CG1 4.48Å; E202-I206 WeakPolarHBondContact O-CG1 3.47Å; E202-I206 PolarHBondContact O-N 3.47Å; G203-I206 PolarHBondContact O-N 3.05Å; G203-I206 VanDerWaalsContact O-N 3.13Å; I206-V208 VanDerWaalsContact CG2-O 3.22Å; I206-V208 WeakPolarHBondContact CG2-O 3.46Å; I206-I209 HydrophobicContact CG2-CG1 3.76Å
207	A	97.4	Very high	96.4	Very high	35 Å²	35	56.5 Å²	56.5	29%	0.289	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-36	176.7	0	0	0	0	0	112.3	F140 R146 K148	F140-A207 HydrophobicContact CD2-CB 3.92Å; F140-A207 HydrophobicContact CE2-CB 3.77Å; R146-A207 HydrophobicContact CG-CB 4.09Å; K148-A207 PolarHBondContact O-N 3.5Å
208	V	97.6	Very high	96.2	Very high	35 Å²	35	54.5 Å²	54.5	21%	0.212	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	138.6	-177.7	174.6	0	0	0	0	109.7	F140 K148 I149 L150 I206 L210	F140-V208 HydrophobicContact CB-CG2 4.18Å; F140-V208 HydrophobicContact CD2-CG2 3.78Å; F140-V208 HydrophobicContact CG-CG2 4.38Å; K148-V208 PolarHBondContact O-N 3.01Å; I149-V208 CarbonylContact C-O 3.6Å; I149-V208 WeakPolarHBondContact CA-O 3.36Å; I149-V208 HydrophobicContact CG1-CB 4.21Å; I149-V208 HydrophobicContact CG2-CB 4.25Å; I149-V208 HydrophobicContact CG2-CG1 4.24Å; L150-V208 PolarHBondContact N-O 3.3Å; I206-V208 VanDerWaalsContact CG2-O 3.22Å; I206-V208 WeakPolarHBondContact CG2-O 3.46Å; V208-L210 HydrophobicContact CG1-CB 4.31Å
209	I	97.8	Very high	96	Very high	55 Å²	55	56.2 Å²	56.2	28%	0.282	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	113.4	168	-58.9	169.9	0	0	0	106.2	L150 I199 I206 F211 I227	L150-I209 HydrophobicContact CB-CG1 4.18Å; L150-I209 HydrophobicContact CD2-CD1 4.48Å; L150-I209 HydrophobicContact CD2-CG1 4.11Å; L150-I209 HydrophobicContact CD2-CG2 4.13Å; I199-I209 HydrophobicContact CD1-CD1 3.87Å; I199-I209 HydrophobicContact CG1-CD1 3.98Å; I199-I209 HydrophobicContact CG2-CD1 4.5Å; I206-I209 HydrophobicContact CG2-CG1 3.76Å; I209-F211 HydrophobicContact CG2-CD2 3.73Å; I209-F211 HydrophobicContact CG2-CE2 4.02Å; I209-I227 HydrophobicContact CG2-CG2 3.71Å
210	L	97	Very high	95.9	Very high	35 Å²	35	57.7 Å²	57.7	18%	0.183	31%	0.313	C	S	.	.			trans	-120	105.5	-179.2	-172.9	68.9	0	0	0	109	L132 I149 L150 L151 I163 V208	L132-L210 HydrophobicContact CD1-CD2 4.5Å; L132-L210 HydrophobicContact CD2-CD1 3.9Å; I149-L210 HydrophobicContact CG2-CB 4.49Å; L150-L210 PolarHBondContact O-N 2.94Å; L151-L210 WeakPolarHBondContact CA-O 3.48Å; L151-L210 VanDerWaalsContact CB-O 3.3Å; L151-L210 WeakPolarHBondContact CB-O 3.32Å; I163-L210 HydrophobicContact CD1-CB 4.49Å; I163-L210 HydrophobicContact CD1-CD2 3.7Å; I163-L210 HydrophobicContact CG1-CD2 4.04Å; V208-L210 HydrophobicContact CG1-CB 4.31Å
211	F	96.8	Very high	95.8	Very high	26 Å²	26	58.8 Å²	58.8	11%	0.114	32%	0.319	C	S	.	.			trans	-121.6	144.1	174.7	-87.4	-107.6	0	0	0	110.3	L150 E152 I181 L190 I195 I209 F222 I224 I227	L150-F211 HydrophobicContact CD2-CE2 4.27Å; L150-F211 HydrophobicContact CG-CE2 4.05Å; E152-F211 HydrophobicContact CB-CD1 4.14Å; E152-F211 HydrophobicContact CB-CE1 3.83Å; E152-F211 WeakPolarHBondContact OE2-CA 3.35Å; E152-F211 WeakPolarHBondContact OE2-CD1 3.41Å; I181-F211 HydrophobicContact CD1-CZ 4.03Å; L190-F211 HydrophobicContact CD1-CE1 4.03Å; I195-F211 HydrophobicContact CD1-CE1 3.85Å; I195-F211 HydrophobicContact CD1-CZ 4.3Å; I195-F211 HydrophobicContact CG1-CE1 4.3Å; I195-F211 HydrophobicContact CG1-CZ 4.3Å; I195-F211 HydrophobicContact CG2-CE2 4.39Å; I195-F211 HydrophobicContact CG2-CZ 4.01Å; I209-F211 HydrophobicContact CG2-CD2 3.73Å; I209-F211 HydrophobicContact CG2-CE2 4.02Å; F211-F222 AromaticContact CD1-CD1 3.95Å; F211-F222 HydrophobicContact CD1-CD1 3.95Å; F211-F222 HydrophobicContact CD1-CD2 4.37Å; F211-F222 AromaticContact CD1-CE1 3.89Å; F211-F222 HydrophobicContact CD1-CE1 3.89Å; F211-F222 HydrophobicContact CD1-CE2 4.29Å; F211-F222 HydrophobicContact CD1-CG 4.19Å; F211-F222 HydrophobicContact CD1-CZ 4.06Å; F211-F222 HydrophobicContact CE1-CD1 4.28Å; F211-F222 AromaticContact CE1-CE1 3.93Å; F211-F222 HydrophobicContact CE1-CE1 3.93Å; F211-F222 HydrophobicContact CE1-CZ 4.29Å; F211-I224 HydrophobicContact CB-CD1 4.01Å; F211-I227 HydrophobicContact CD1-CD1 4.45Å
212	S	93.8	Very high	95.8	Very high	28 Å²	28	51.8 Å²	51.8	20%	0.196	29%	0.288	C	S	.	.			trans	-63	147.5	163.8	57.5	0	0	0	0	110.8	E152 F222	E152-S212 VanDerWaalsContact OE1-CB 3.26Å; E152-S212 WeakPolarHBondContact OE1-CB 3.4Å; E152-S212 PolarHBondContact OE1-N 2.96Å; E152-S212 VanDerWaalsContact OE1-N 3.09Å; E152-S212 PolarHBondContact OE1-OG 3.36Å; S212-F222 WeakPolarHBondContact O-CD2 3.43Å
213	G	94.1	Very high	95.8	Very high	38 Å²	38	53.7 Å²	53.7	39%	0.392	30%	0.3	S	S	.	.	S	Bend	trans	-68.2	-44.8	171.1	0	0	0	0	0	111.1	H221 F222	G213-H221 PolarHBondContact O-CD2 3.37Å; G213-F222 PolarHBondContact O-N 2.95Å
214	V	94.8	Very high	95.9	Very high	86 Å²	86	56.1 Å²	56.1	52%	0.521	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-127.8	126.6	171.8	-178.4	0	0	0	0	108.5	F216 Q220 H221	V214-F216 PolarHBondContact O-N 2.82Å; V214-Q220 CarbonylContact C-O 3.53Å; V214-Q220 VanDerWaalsContact CA-O 3.28Å; V214-Q220 WeakPolarHBondContact CA-O 3.46Å; V214-H221 HydrophobicContact CG2-CB 4.33Å
215	H	94.6	Very high	95.9	Very high	10 Å²	10	54.9 Å²	54.9	5%	0.046	31%	0.31	C	S	.	.			trans	-67.8	122.5	-179.9	-165.1	-66.3	0	0	0	110.9	K154 Y217 T218 G219 Q220 F222	K154-H215 PolarHBondContact O-CE1 3Å; K154-H215 VanDerWaalsContact O-CE1 3.32Å; K154-H215 PolarHBondContact O-NE2 3.25Å; H215-Y217 VanDerWaalsContact C-N 3.27Å; H215-Y217 PolarHBondContact ND1-N 3.44Å; H215-Y217 PolarHBondContact O-N 2.86Å; H215-T218 WeakPolarHBondContact CB-OG1 3.49Å; H215-T218 PolarHBondContact ND1-N 3.17Å; H215-G219 VanDerWaalsContact O-CA 3.3Å; H215-G219 WeakPolarHBondContact O-CA 3.33Å; H215-G219 PolarHBondContact O-N 3.17Å; H215-Q220 HydrophobicContact CB-CB 4.11Å; H215-Q220 PolarHBondContact N-O 2.81Å; H215-F222 HydrophobicContact CB-CE2 3.88Å
216	F	90.9	Very high	96	Very high	83 Å²	83	55.3 Å²	55.3	36%	0.364	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.8	-172.1	80.8	-82.8	0	0	0	114.3	K154 F156 V214	K154-F216 VanDerWaalsContact O-CE1 3.32Å; K154-F216 WeakPolarHBondContact O-CE1 3.35Å; F156-F216 HydrophobicContact CB-CD1 4.01Å; F156-F216 HydrophobicContact CB-CE1 4.24Å; F156-F216 HydrophobicContact CD2-CB 4.1Å; F156-F216 AromaticContact CD2-CD1 3.8Å; F156-F216 HydrophobicContact CD2-CD1 3.8Å; F156-F216 AromaticContact CD2-CD2 3.84Å; F156-F216 HydrophobicContact CD2-CD2 3.84Å; F156-F216 HydrophobicContact CD2-CE1 4.15Å; F156-F216 HydrophobicContact CD2-CE2 4.2Å; F156-F216 AromaticContact CD2-CG 3.63Å; F156-F216 HydrophobicContact CD2-CG 3.63Å; F156-F216 HydrophobicContact CD2-CZ 4.34Å; F156-F216 HydrophobicContact CE2-CD2 4.21Å; F156-F216 HydrophobicContact CE2-CG 4.36Å; F156-F216 HydrophobicContact CG-CD1 4.41Å; V214-F216 PolarHBondContact O-N 2.82Å
217	Y	90.8	Very high	96	Very high	170 Å²	170	55.3 Å²	55.3	67%	0.667	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-52.4	-178.7	-171.6	-106.2	0	0	0	113.5	H215	H215-Y217 VanDerWaalsContact C-N 3.27Å; H215-Y217 PolarHBondContact ND1-N 3.44Å; H215-Y217 PolarHBondContact O-N 2.86Å
218	T	94.4	Very high	96	Very high	49 Å²	49	56.8 Å²	56.8	30%	0.301	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-14.3	-174	63.5	0	0	0	0	113.5	E188 H215 Q220	E188-T218 WeakPolarHBondContact O-CG2 3.47Å; H215-T218 WeakPolarHBondContact CB-OG1 3.49Å; H215-T218 PolarHBondContact ND1-N 3.17Å; T218-Q220 PolarHBondContact O-N 3.49Å; T218-Q220 WeakPolarHBondContact OG1-CB 3.42Å; T218-Q220 PolarHBondContact OG1-N 2.94Å
219	G	94	Very high	96	Very high	51 Å²	51	62.8 Å²	62.8	53%	0.526	34%	0.343	S	S	.	.			trans	69.8	9.1	-172.1	0	0	0	0	0	113.7	H215 H221	H215-G219 VanDerWaalsContact O-CA 3.3Å; H215-G219 WeakPolarHBondContact O-CA 3.33Å; H215-G219 PolarHBondContact O-N 3.17Å; G219-H221 PolarHBondContact O-N 2.89Å
220	Q	96.7	Very high	96.1	Very high	34 Å²	34	61.3 Å²	61.3	16%	0.159	34%	0.339	C	S	.	.			trans	-63.8	122.2	-179.7	178.5	175.2	9.2	0	0	110.9	T189 L190 V214 H215 T218 F222	T189-Q220 VanDerWaalsContact CB-OE1 3.29Å; T189-Q220 HydrophobicContact CG2-CB 4.01Å; T189-Q220 HydrophobicContact CG2-CG 4.34Å; L190-Q220 PolarHBondContact O-NE2 3.42Å; V214-Q220 CarbonylContact C-O 3.53Å; V214-Q220 VanDerWaalsContact CA-O 3.28Å; V214-Q220 WeakPolarHBondContact CA-O 3.46Å; H215-Q220 HydrophobicContact CB-CB 4.11Å; H215-Q220 PolarHBondContact N-O 2.81Å; T218-Q220 PolarHBondContact O-N 3.49Å; T218-Q220 WeakPolarHBondContact OG1-CB 3.42Å; T218-Q220 PolarHBondContact OG1-N 2.94Å; Q220-F222 HydrophobicContact CG-CE1 4.44Å; Q220-F222 HydrophobicContact CG-CZ 4.47Å
221	H	97.2	Very high	96.1	Very high	151 Å²	151	60.1 Å²	60.1	70%	0.699	34%	0.336	S	S	*	.	B	Isolated β-bridge	trans	-85.2	114.1	169.8	-179.9	-139.7	0	0	0	109.9	G213 V214 G219	G213-H221 PolarHBondContact O-CD2 3.37Å; V214-H221 HydrophobicContact CG2-CB 4.33Å; G219-H221 PolarHBondContact O-N 2.89Å
222	F	97.8	Very high	96	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.018	36%	0.36	C	S	.	.			trans	-79.5	143.9	179.4	-71.3	-78.6	0	0	0	111.3	E152 L190 I195 F211 S212 G213 H215 Q220 I224 I227	E152-F222 HydrophobicContact CB-CZ 4.15Å; E152-F222 HydrophobicContact CG-CZ 4.43Å; L190-F222 HydrophobicContact CB-CE1 3.96Å; L190-F222 HydrophobicContact CD1-CE1 3.79Å; L190-F222 HydrophobicContact CD1-CZ 3.97Å; L190-F222 HydrophobicContact CG-CE1 4.43Å; I195-F222 HydrophobicContact CD1-CD1 3.93Å; I195-F222 HydrophobicContact CD1-CE1 3.98Å; F211-F222 AromaticContact CD1-CD1 3.95Å; F211-F222 HydrophobicContact CD1-CD1 3.95Å; F211-F222 HydrophobicContact CD1-CD2 4.37Å; F211-F222 AromaticContact CD1-CE1 3.89Å; F211-F222 HydrophobicContact CD1-CE1 3.89Å; F211-F222 HydrophobicContact CD1-CE2 4.29Å; F211-F222 HydrophobicContact CD1-CG 4.19Å; F211-F222 HydrophobicContact CD1-CZ 4.06Å; F211-F222 HydrophobicContact CE1-CD1 4.28Å; F211-F222 AromaticContact CE1-CE1 3.93Å; F211-F222 HydrophobicContact CE1-CE1 3.93Å; F211-F222 HydrophobicContact CE1-CZ 4.29Å; S212-F222 WeakPolarHBondContact O-CD2 3.43Å; G213-F222 PolarHBondContact O-N 2.95Å; H215-F222 HydrophobicContact CB-CE2 3.88Å; Q220-F222 HydrophobicContact CG-CE1 4.44Å; Q220-F222 HydrophobicContact CG-CZ 4.47Å; F222-I224 HydrophobicContact CB-CD1 4.01Å; F222-I224 HydrophobicContact CB-CG1 4.42Å; F222-I224 PolarHBondContact O-N 3.09Å; F222-I227 HydrophobicContact CB-CD1 4.32Å
223	N	97.9	Very high	96.2	Very high	86 Å²	86	67.3 Å²	67.3	46%	0.46	38%	0.379	S	S	.	.			trans	-78.4	72.4	172.2	-169.3	-21	0	0	0	110.2	I192 P225 A226 I227	I192-N223 HydrophobicContact CD1-CB 4.29Å; N223-P225 VanDerWaalsContact C-CD 3.48Å; N223-P225 VanDerWaalsContact C-N 3.33Å; N223-P225 WeakPolarHBondContact OD1-CD 3.11Å; N223-A226 HydrophobicContact CB-CB 4.21Å; N223-A226 PolarHBondContact O-N 2.97Å; N223-A226 VanDerWaalsContact O-N 3.13Å; N223-A226 WeakPolarHBondContact OD1-CB 3.47Å; N223-A226 PolarHBondContact OD1-N 3.17Å; N223-A226 VanDerWaalsContact OD1-N 3.11Å; N223-I227 WeakPolarHBondContact O-CG1 3.37Å; N223-I227 PolarHBondContact O-N 2.94Å; N223-I227 VanDerWaalsContact O-N 3.09Å
224	I	97.6	Very high	96.1	Very high	55 Å²	55	67.1 Å²	67.1	28%	0.282	37%	0.367	S	S	.	.	H	α-helix	trans	-52.8	-44.2	179.4	-60.9	-59.7	0	0	0	111.8	F211 F222 A226 I227 T228	F211-I224 HydrophobicContact CB-CD1 4.01Å; F222-I224 HydrophobicContact CB-CD1 4.01Å; F222-I224 HydrophobicContact CB-CG1 4.42Å; F222-I224 PolarHBondContact O-N 3.09Å; I224-A226 VanDerWaalsContact C-N 3.33Å; I224-A226 PolarHBondContact O-N 3.38Å; I224-I227 PolarHBondContact O-N 3.12Å; I224-T228 WeakPolarHBondContact O-CB 3.49Å; I224-T228 PolarHBondContact O-N 3.23Å; I224-T228 PolarHBondContact O-OG1 2.91Å
225	P	97.6	Very high	95	Very high	97 Å²	97	67.8 Å²	67.8	63%	0.63	37%	0.371	S	S	*	.	H	α-helix	trans	-55.8	-42.8	176.8	-27.8	36.1	0	0	0	114.2	N223 K229	N223-P225 VanDerWaalsContact C-CD 3.48Å; N223-P225 VanDerWaalsContact C-N 3.33Å; N223-P225 WeakPolarHBondContact OD1-CD 3.11Å; P225-K229 WeakPolarHBondContact O-CB 3.5Å; P225-K229 PolarHBondContact O-N 2.98Å; P225-K229 VanDerWaalsContact O-N 3.08Å
226	A	98.4	Very high	92.8	Very high	29 Å²	29	76.9 Å²	76.9	24%	0.24	43%	0.427	C	S	.	.	H	α-helix	trans	-68.3	-43	178.2	0	0	0	0	0	112.2	N223 I224 K229 A230	N223-A226 HydrophobicContact CB-CB 4.21Å; N223-A226 PolarHBondContact O-N 2.97Å; N223-A226 VanDerWaalsContact O-N 3.13Å; N223-A226 WeakPolarHBondContact OD1-CB 3.47Å; N223-A226 PolarHBondContact OD1-N 3.17Å; N223-A226 VanDerWaalsContact OD1-N 3.11Å; I224-A226 VanDerWaalsContact C-N 3.33Å; I224-A226 PolarHBondContact O-N 3.38Å; A226-K229 PolarHBondContact O-N 3.27Å; A226-A230 PolarHBondContact O-N 3.23Å
227	I	98.4	Very high	92.9	Very high	5 Å²	5	76.6 Å²	76.6	3%	0.026	43%	0.43	C	S	.	.	H	α-helix	trans	-62.7	-47.1	178.5	-65.3	169.8	0	0	0	110.4	I192 I195 I199 I209 F211 F222 N223 I224 K229 A230 G231	I192-I227 HydrophobicContact CD1-CD1 4.14Å; I192-I227 HydrophobicContact CD1-CG1 3.71Å; I195-I227 HydrophobicContact CD1-CD1 4.07Å; I195-I227 HydrophobicContact CG2-CD1 4.11Å; I195-I227 HydrophobicContact CG2-CG1 3.98Å; I195-I227 HydrophobicContact CG2-CG2 4.48Å; I199-I227 HydrophobicContact CD1-CG2 4.05Å; I209-I227 HydrophobicContact CG2-CG2 3.71Å; F211-I227 HydrophobicContact CD1-CD1 4.45Å; F222-I227 HydrophobicContact CB-CD1 4.32Å; N223-I227 WeakPolarHBondContact O-CG1 3.37Å; N223-I227 PolarHBondContact O-N 2.94Å; N223-I227 VanDerWaalsContact O-N 3.09Å; I224-I227 PolarHBondContact O-N 3.12Å; I227-K229 PolarHBondContact O-N 3.12Å; I227-A230 PolarHBondContact O-N 3.26Å; I227-G231 PolarHBondContact O-N 3.44Å
228	T	97.9	Very high	93	Very high	66 Å²	66	71.7 Å²	71.7	41%	0.405	42%	0.418	S	S	.	.	H	α-helix	trans	-59.5	-45.9	177.1	-60.1	0	0	0	0	111.4	I224 A230 G231 Q232	I224-T228 WeakPolarHBondContact O-CB 3.49Å; I224-T228 PolarHBondContact O-N 3.23Å; I224-T228 PolarHBondContact O-OG1 2.91Å; T228-A230 VanDerWaalsContact C-N 3.33Å; T228-A230 PolarHBondContact O-N 3.39Å; T228-G231 PolarHBondContact O-N 2.84Å; T228-Q232 HydrophobicContact CG2-CG 4.37Å; T228-Q232 WeakPolarHBondContact O-CB 3.38Å; T228-Q232 WeakPolarHBondContact O-CG 3.47Å; T228-Q232 PolarHBondContact O-N 3.2Å
229	K	98.3	Very high	93	Very high	161 Å²	161	72.9 Å²	72.9	70%	0.7	42%	0.424	S	S	*	.	H	α-helix	trans	-59.8	-43.2	178	-176	179.1	179.8	-179.1	0	112	P225 A226 I227 A233	P225-K229 WeakPolarHBondContact O-CB 3.5Å; P225-K229 PolarHBondContact O-N 2.98Å; P225-K229 VanDerWaalsContact O-N 3.08Å; A226-K229 PolarHBondContact O-N 3.27Å; I227-K229 PolarHBondContact O-N 3.12Å; K229-A233 PolarHBondContact O-N 2.84Å
230	A	98.3	Very high	92.9	Very high	23 Å²	23	74.2 Å²	74.2	19%	0.19	42%	0.418	C	S	.	.	H	α-helix	trans	-65.5	-42.3	177.6	0	0	0	0	0	112.1	L196 I199 A226 I227 T228 A233	L196-A230 HydrophobicContact CD2-CB 3.56Å; I199-A230 HydrophobicContact CB-CB 4.47Å; I199-A230 HydrophobicContact CD1-CB 4.09Å; I199-A230 HydrophobicContact CG2-CB 3.94Å; A226-A230 PolarHBondContact O-N 3.23Å; I227-A230 PolarHBondContact O-N 3.26Å; T228-A230 VanDerWaalsContact C-N 3.33Å; T228-A230 PolarHBondContact O-N 3.39Å; A230-A233 PolarHBondContact O-N 3.36Å
231	G	97.2	Very high	92.7	Very high	11 Å²	11	76.8 Å²	76.8	11%	0.113	44%	0.435	C	S	.	.	H	α-helix	trans	-62.5	-44.8	176.4	0	0	0	0	0	113.2	I227 T228 A233 K234	I227-G231 PolarHBondContact O-N 3.44Å; T228-G231 PolarHBondContact O-N 2.84Å; G231-A233 VanDerWaalsContact C-N 3.29Å; G231-A233 PolarHBondContact O-N 3.13Å; G231-K234 PolarHBondContact O-N 3.11Å; G231-K234 VanDerWaalsContact O-N 3.13Å
232	Q	96.4	Very high	92.4	Very high	132 Å²	132	71.8 Å²	71.8	62%	0.617	42%	0.417	S	S	*	.	H	α-helix	trans	-63.6	-33	178.2	-73.9	176	-13.7	0	0	112.5	T228 K234 V235	T228-Q232 HydrophobicContact CG2-CG 4.37Å; T228-Q232 WeakPolarHBondContact O-CB 3.38Å; T228-Q232 WeakPolarHBondContact O-CG 3.47Å; T228-Q232 PolarHBondContact O-N 3.2Å; Q232-K234 PolarHBondContact O-N 2.71Å; Q232-K234 VanDerWaalsContact O-N 3.15Å; Q232-V235 PolarHBondContact O-N 2.83Å; Q232-V235 VanDerWaalsContact O-N 3.09Å
233	A	96.4	Very high	92	Very high	73 Å²	73	76.6 Å²	76.6	60%	0.603	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.7	176.5	0	0	0	0	0	113.9	K229 A230 G231	K229-A233 PolarHBondContact O-N 2.84Å; A230-A233 PolarHBondContact O-N 3.36Å; G231-A233 VanDerWaalsContact C-N 3.29Å; G231-A233 PolarHBondContact O-N 3.13Å
234	K	91.6	Very high	91.5	Very high	34 Å²	34	75.9 Å²	75.9	15%	0.148	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	1.4	176.6	-59.5	-70	174.7	177	0	113.1	R146 I199 E200 G231 Q232	R146-K234 PolarHBondContact NH1-O 3.31Å; I199-K234 HydrophobicContact CG2-CG 4.14Å; I199-K234 WeakPolarHBondContact O-CE 3.32Å; E200-K234 PolarHBondContact O-NZ 2.64Å; E200-K234 IonicContact OE1-NZ 2.85Å; E200-K234 PolarHBondContact OE1-NZ 3.35Å; E200-K234 WeakPolarHBondContact OE2-CE 3.29Å; E200-K234 IonicContact OE2-NZ 2.83Å; E200-K234 PolarHBondContact OE2-NZ 2.96Å; G231-K234 PolarHBondContact O-N 3.11Å; G231-K234 VanDerWaalsContact O-N 3.13Å; Q232-K234 PolarHBondContact O-N 2.71Å; Q232-K234 VanDerWaalsContact O-N 3.15Å
235	V	72.3	Confident	91	Very high	99 Å²	99	77.7 Å²	77.7	60%	0.6	46%	0.458	S	S	*	.			trans	-100.7	92.8	173.4	-175.6	0	0	0	0	106.9	Q232	Q232-V235 PolarHBondContact O-N 2.83Å; Q232-V235 VanDerWaalsContact O-N 3.09Å
236	V	49.7	Very low	90.4	Very high	202 Å²	202	75.9 Å²	75.9	100%	1.224	44%	0.442	S	S	*	.			trans	-105.7	0	166.9	-176.7	0	0	0	0	108.6

Retrieved 236 of 236 residues in 49.5 ms (Link to these results)

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